USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 564 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 151:sc= -0.294 (180deg=-1.21!) USER MOD Single : A 7 THR OG1 : rot 86:sc= 0.21 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 100:sc= 0.278 USER MOD Single : A 20 SER OG : rot -26:sc= 0.702 USER MOD Single : A 22 THR OG1 : rot -140:sc= 0.166 USER MOD Single : A 25 ASN : amide:sc= -1.39 K(o=-1.4,f=-4.2!) USER MOD Single : A 27 LYS NZ :NH3+ -132:sc= -2.14 (180deg=-4.79!) USER MOD Single : A 29 LYS NZ :NH3+ -144:sc= 0.0241 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.85 K(o=-1.8,f=-0.69) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.455 K(o=-0.45,f=-4.1!) USER MOD Single : A 41 GLN : amide:sc= 0.222 K(o=0.22,f=-3.5) USER MOD Single : A 48 LYS NZ :NH3+ 145:sc= -0.247 (180deg=-1.46!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 99:sc= 0.87 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= -0.0493 (180deg=-0.367) USER MOD Single : A 68 HIS : no HD1:sc=-0.00638 X(o=-0.0064,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 25.669 27.890 2.878 1.00 0.00 N ATOM 21 CA GLN A 2 26.399 29.111 3.342 1.00 0.00 C ATOM 22 C GLN A 2 25.753 29.643 4.622 1.00 0.00 C ATOM 23 O GLN A 2 24.548 29.612 4.782 1.00 0.00 O ATOM 24 CB GLN A 2 26.321 30.190 2.260 1.00 0.00 C ATOM 25 CG GLN A 2 26.973 29.679 0.975 1.00 0.00 C ATOM 26 CD GLN A 2 27.009 30.805 -0.060 1.00 0.00 C ATOM 27 OE1 GLN A 2 27.793 31.726 0.054 1.00 0.00 O ATOM 28 NE2 GLN A 2 26.184 30.773 -1.071 1.00 0.00 N ATOM 0 HA GLN A 2 27.440 28.854 3.537 1.00 0.00 H new ATOM 0 HB2 GLN A 2 25.281 30.455 2.071 1.00 0.00 H new ATOM 0 HB3 GLN A 2 26.824 31.096 2.599 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.984 29.328 1.182 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.414 28.829 0.584 1.00 0.00 H new ATOM 0 HE21 GLN A 2 25.525 30.000 -1.168 1.00 0.00 H new ATOM 0 HE22 GLN A 2 26.198 31.521 -1.764 1.00 0.00 H new ATOM 37 N ILE A 3 26.547 30.142 5.531 1.00 0.00 N ATOM 38 CA ILE A 3 25.999 30.693 6.802 1.00 0.00 C ATOM 39 C ILE A 3 26.881 31.874 7.229 1.00 0.00 C ATOM 40 O ILE A 3 27.957 32.065 6.696 1.00 0.00 O ATOM 41 CB ILE A 3 25.996 29.589 7.869 1.00 0.00 C ATOM 42 CG1 ILE A 3 25.114 30.015 9.038 1.00 0.00 C ATOM 43 CG2 ILE A 3 27.416 29.337 8.377 1.00 0.00 C ATOM 44 CD1 ILE A 3 25.044 28.883 10.065 1.00 0.00 C ATOM 0 H ILE A 3 27.562 30.191 5.445 1.00 0.00 H new ATOM 0 HA ILE A 3 24.974 31.041 6.671 1.00 0.00 H new ATOM 0 HB ILE A 3 25.608 28.672 7.425 1.00 0.00 H new ATOM 0 HG12 ILE A 3 25.516 30.916 9.501 1.00 0.00 H new ATOM 0 HG13 ILE A 3 24.113 30.259 8.682 1.00 0.00 H new ATOM 0 HG21 ILE A 3 27.398 28.552 9.133 1.00 0.00 H new ATOM 0 HG22 ILE A 3 28.050 29.027 7.546 1.00 0.00 H new ATOM 0 HG23 ILE A 3 27.814 30.253 8.814 1.00 0.00 H new ATOM 0 HD11 ILE A 3 24.414 29.188 10.900 1.00 0.00 H new ATOM 0 HD12 ILE A 3 24.622 27.993 9.598 1.00 0.00 H new ATOM 0 HD13 ILE A 3 26.047 28.660 10.430 1.00 0.00 H new ATOM 56 N PHE A 4 26.437 32.676 8.168 1.00 0.00 N ATOM 57 CA PHE A 4 27.250 33.854 8.609 1.00 0.00 C ATOM 58 C PHE A 4 27.348 33.859 10.131 1.00 0.00 C ATOM 59 O PHE A 4 26.545 33.264 10.811 1.00 0.00 O ATOM 60 CB PHE A 4 26.564 35.140 8.142 1.00 0.00 C ATOM 61 CG PHE A 4 26.478 35.146 6.634 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.442 34.460 5.990 1.00 0.00 C ATOM 63 CD2 PHE A 4 27.432 35.842 5.882 1.00 0.00 C ATOM 64 CE1 PHE A 4 25.361 34.466 4.592 1.00 0.00 C ATOM 65 CE2 PHE A 4 27.351 35.849 4.483 1.00 0.00 C ATOM 66 CZ PHE A 4 26.315 35.161 3.839 1.00 0.00 C ATOM 0 H PHE A 4 25.544 32.565 8.649 1.00 0.00 H new ATOM 0 HA PHE A 4 28.250 33.793 8.179 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.566 35.210 8.574 1.00 0.00 H new ATOM 0 HB3 PHE A 4 27.123 36.009 8.488 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.705 33.926 6.571 1.00 0.00 H new ATOM 0 HD2 PHE A 4 28.230 36.373 6.380 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.563 33.935 4.095 1.00 0.00 H new ATOM 0 HE2 PHE A 4 28.087 36.385 3.902 1.00 0.00 H new ATOM 0 HZ PHE A 4 26.252 35.167 2.761 1.00 0.00 H new ATOM 76 N VAL A 5 28.335 34.523 10.670 1.00 0.00 N ATOM 77 CA VAL A 5 28.490 34.580 12.157 1.00 0.00 C ATOM 78 C VAL A 5 28.695 36.038 12.566 1.00 0.00 C ATOM 79 O VAL A 5 29.586 36.711 12.087 1.00 0.00 O ATOM 80 CB VAL A 5 29.696 33.745 12.589 1.00 0.00 C ATOM 81 CG1 VAL A 5 29.702 33.610 14.113 1.00 0.00 C ATOM 82 CG2 VAL A 5 29.602 32.353 11.958 1.00 0.00 C ATOM 0 H VAL A 5 29.045 35.032 10.144 1.00 0.00 H new ATOM 0 HA VAL A 5 27.599 34.178 12.639 1.00 0.00 H new ATOM 0 HB VAL A 5 30.613 34.234 12.262 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.561 33.015 14.422 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.764 34.600 14.566 1.00 0.00 H new ATOM 0 HG13 VAL A 5 28.785 33.119 14.438 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.461 31.756 12.265 1.00 0.00 H new ATOM 0 HG22 VAL A 5 28.685 31.865 12.288 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.594 32.446 10.872 1.00 0.00 H new ATOM 92 N LYS A 6 27.872 36.528 13.455 1.00 0.00 N ATOM 93 CA LYS A 6 28.004 37.939 13.911 1.00 0.00 C ATOM 94 C LYS A 6 28.916 37.985 15.139 1.00 0.00 C ATOM 95 O LYS A 6 28.628 37.384 16.155 1.00 0.00 O ATOM 96 CB LYS A 6 26.619 38.475 14.282 1.00 0.00 C ATOM 97 CG LYS A 6 26.728 39.956 14.648 1.00 0.00 C ATOM 98 CD LYS A 6 25.328 40.564 14.820 1.00 0.00 C ATOM 99 CE LYS A 6 24.732 40.155 16.174 1.00 0.00 C ATOM 100 NZ LYS A 6 25.678 40.511 17.268 1.00 0.00 N ATOM 0 H LYS A 6 27.109 36.006 13.887 1.00 0.00 H new ATOM 0 HA LYS A 6 28.432 38.550 13.116 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.931 38.345 13.446 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.211 37.911 15.121 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.298 40.069 15.570 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.272 40.491 13.870 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.385 41.650 14.754 1.00 0.00 H new ATOM 0 HD3 LYS A 6 24.677 40.229 14.012 1.00 0.00 H new ATOM 0 HE2 LYS A 6 23.777 40.657 16.328 1.00 0.00 H new ATOM 0 HE3 LYS A 6 24.534 39.083 16.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 25.144 40.705 18.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 26.333 39.720 17.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.218 41.357 16.998 1.00 0.00 H new ATOM 114 N THR A 7 30.015 38.690 15.057 1.00 0.00 N ATOM 115 CA THR A 7 30.942 38.769 16.227 1.00 0.00 C ATOM 116 C THR A 7 30.566 39.975 17.094 1.00 0.00 C ATOM 117 O THR A 7 30.026 40.952 16.614 1.00 0.00 O ATOM 118 CB THR A 7 32.381 38.923 15.725 1.00 0.00 C ATOM 119 OG1 THR A 7 32.638 37.942 14.729 1.00 0.00 O ATOM 120 CG2 THR A 7 33.356 38.732 16.889 1.00 0.00 C ATOM 0 H THR A 7 30.311 39.213 14.233 1.00 0.00 H new ATOM 0 HA THR A 7 30.861 37.859 16.821 1.00 0.00 H new ATOM 0 HB THR A 7 32.513 39.919 15.303 1.00 0.00 H new ATOM 0 HG1 THR A 7 32.345 38.278 13.856 1.00 0.00 H new ATOM 0 HG21 THR A 7 34.379 38.842 16.529 1.00 0.00 H new ATOM 0 HG22 THR A 7 33.159 39.481 17.656 1.00 0.00 H new ATOM 0 HG23 THR A 7 33.226 37.736 17.313 1.00 0.00 H new ATOM 128 N LEU A 8 30.840 39.910 18.367 1.00 0.00 N ATOM 129 CA LEU A 8 30.492 41.047 19.268 1.00 0.00 C ATOM 130 C LEU A 8 31.193 42.321 18.788 1.00 0.00 C ATOM 131 O LEU A 8 30.807 43.418 19.137 1.00 0.00 O ATOM 132 CB LEU A 8 30.952 40.724 20.691 1.00 0.00 C ATOM 133 CG LEU A 8 30.327 39.404 21.159 1.00 0.00 C ATOM 134 CD1 LEU A 8 30.954 38.998 22.494 1.00 0.00 C ATOM 135 CD2 LEU A 8 28.806 39.568 21.331 1.00 0.00 C ATOM 0 H LEU A 8 31.291 39.118 18.824 1.00 0.00 H new ATOM 0 HA LEU A 8 29.413 41.201 19.254 1.00 0.00 H new ATOM 0 HB2 LEU A 8 32.039 40.652 20.723 1.00 0.00 H new ATOM 0 HB3 LEU A 8 30.666 41.531 21.366 1.00 0.00 H new ATOM 0 HG LEU A 8 30.515 38.632 20.412 1.00 0.00 H new ATOM 0 HD11 LEU A 8 30.514 38.060 22.832 1.00 0.00 H new ATOM 0 HD12 LEU A 8 32.029 38.869 22.367 1.00 0.00 H new ATOM 0 HD13 LEU A 8 30.767 39.775 23.235 1.00 0.00 H new ATOM 0 HD21 LEU A 8 28.374 38.624 21.663 1.00 0.00 H new ATOM 0 HD22 LEU A 8 28.605 40.341 22.073 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.361 39.855 20.378 1.00 0.00 H new ATOM 147 N THR A 9 32.222 42.188 17.995 1.00 0.00 N ATOM 148 CA THR A 9 32.942 43.399 17.502 1.00 0.00 C ATOM 149 C THR A 9 32.185 43.991 16.313 1.00 0.00 C ATOM 150 O THR A 9 32.512 45.056 15.824 1.00 0.00 O ATOM 151 CB THR A 9 34.360 43.013 17.070 1.00 0.00 C ATOM 152 OG1 THR A 9 35.053 42.449 18.175 1.00 0.00 O ATOM 153 CG2 THR A 9 35.107 44.256 16.580 1.00 0.00 C ATOM 0 H THR A 9 32.595 41.297 17.668 1.00 0.00 H new ATOM 0 HA THR A 9 32.999 44.139 18.300 1.00 0.00 H new ATOM 0 HB THR A 9 34.305 42.284 16.262 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.960 42.200 17.900 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.115 43.977 16.274 1.00 0.00 H new ATOM 0 HG22 THR A 9 34.576 44.689 15.732 1.00 0.00 H new ATOM 0 HG23 THR A 9 35.162 44.989 17.385 1.00 0.00 H new ATOM 161 N GLY A 10 31.169 43.314 15.847 1.00 0.00 N ATOM 162 CA GLY A 10 30.380 43.839 14.693 1.00 0.00 C ATOM 163 C GLY A 10 30.976 43.329 13.380 1.00 0.00 C ATOM 164 O GLY A 10 30.654 43.817 12.316 1.00 0.00 O ATOM 0 H GLY A 10 30.851 42.418 16.216 1.00 0.00 H new ATOM 0 HA2 GLY A 10 29.340 43.522 14.778 1.00 0.00 H new ATOM 0 HA3 GLY A 10 30.383 44.929 14.705 1.00 0.00 H new ATOM 168 N LYS A 11 31.842 42.350 13.437 1.00 0.00 N ATOM 169 CA LYS A 11 32.451 41.813 12.185 1.00 0.00 C ATOM 170 C LYS A 11 31.645 40.608 11.698 1.00 0.00 C ATOM 171 O LYS A 11 31.527 39.607 12.383 1.00 0.00 O ATOM 172 CB LYS A 11 33.889 41.371 12.464 1.00 0.00 C ATOM 173 CG LYS A 11 34.776 42.599 12.669 1.00 0.00 C ATOM 174 CD LYS A 11 36.227 42.152 12.853 1.00 0.00 C ATOM 175 CE LYS A 11 37.125 43.380 13.012 1.00 0.00 C ATOM 176 NZ LYS A 11 38.544 42.944 13.137 1.00 0.00 N ATOM 0 H LYS A 11 32.153 41.900 14.298 1.00 0.00 H new ATOM 0 HA LYS A 11 32.446 42.591 11.422 1.00 0.00 H new ATOM 0 HB2 LYS A 11 33.919 40.737 13.350 1.00 0.00 H new ATOM 0 HB3 LYS A 11 34.264 40.775 11.632 1.00 0.00 H new ATOM 0 HG2 LYS A 11 34.696 43.267 11.811 1.00 0.00 H new ATOM 0 HG3 LYS A 11 34.443 43.160 13.542 1.00 0.00 H new ATOM 0 HD2 LYS A 11 36.312 41.510 13.730 1.00 0.00 H new ATOM 0 HD3 LYS A 11 36.548 41.562 11.994 1.00 0.00 H new ATOM 0 HE2 LYS A 11 37.011 44.041 12.153 1.00 0.00 H new ATOM 0 HE3 LYS A 11 36.829 43.949 13.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 39.155 43.778 13.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 38.646 42.330 13.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 38.822 42.419 12.283 1.00 0.00 H new ATOM 190 N THR A 12 31.088 40.695 10.519 1.00 0.00 N ATOM 191 CA THR A 12 30.289 39.556 9.976 1.00 0.00 C ATOM 192 C THR A 12 31.189 38.692 9.090 1.00 0.00 C ATOM 193 O THR A 12 31.768 39.167 8.134 1.00 0.00 O ATOM 194 CB THR A 12 29.128 40.100 9.140 1.00 0.00 C ATOM 195 OG1 THR A 12 28.324 40.950 9.947 1.00 0.00 O ATOM 196 CG2 THR A 12 28.282 38.935 8.624 1.00 0.00 C ATOM 0 H THR A 12 31.152 41.508 9.906 1.00 0.00 H new ATOM 0 HA THR A 12 29.895 38.959 10.798 1.00 0.00 H new ATOM 0 HB THR A 12 29.520 40.665 8.295 1.00 0.00 H new ATOM 0 HG1 THR A 12 27.581 41.301 9.413 1.00 0.00 H new ATOM 0 HG21 THR A 12 27.455 39.322 8.029 1.00 0.00 H new ATOM 0 HG22 THR A 12 28.899 38.282 8.007 1.00 0.00 H new ATOM 0 HG23 THR A 12 27.888 38.370 9.468 1.00 0.00 H new ATOM 204 N ILE A 13 31.302 37.423 9.400 1.00 0.00 N ATOM 205 CA ILE A 13 32.160 36.504 8.579 1.00 0.00 C ATOM 206 C ILE A 13 31.273 35.451 7.915 1.00 0.00 C ATOM 207 O ILE A 13 30.286 35.016 8.475 1.00 0.00 O ATOM 208 CB ILE A 13 33.187 35.817 9.481 1.00 0.00 C ATOM 209 CG1 ILE A 13 32.472 35.129 10.644 1.00 0.00 C ATOM 210 CG2 ILE A 13 34.166 36.858 10.027 1.00 0.00 C ATOM 211 CD1 ILE A 13 33.499 34.413 11.523 1.00 0.00 C ATOM 0 H ILE A 13 30.835 36.980 10.191 1.00 0.00 H new ATOM 0 HA ILE A 13 32.684 37.077 7.814 1.00 0.00 H new ATOM 0 HB ILE A 13 33.734 35.072 8.902 1.00 0.00 H new ATOM 0 HG12 ILE A 13 31.923 35.864 11.233 1.00 0.00 H new ATOM 0 HG13 ILE A 13 31.742 34.415 10.264 1.00 0.00 H new ATOM 0 HG21 ILE A 13 34.897 36.368 10.670 1.00 0.00 H new ATOM 0 HG22 ILE A 13 34.680 37.344 9.198 1.00 0.00 H new ATOM 0 HG23 ILE A 13 33.619 37.605 10.603 1.00 0.00 H new ATOM 0 HD11 ILE A 13 32.989 33.922 12.352 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.028 33.667 10.930 1.00 0.00 H new ATOM 0 HD13 ILE A 13 34.212 35.139 11.914 1.00 0.00 H new ATOM 223 N THR A 14 31.620 35.041 6.720 1.00 0.00 N ATOM 224 CA THR A 14 30.807 34.014 5.993 1.00 0.00 C ATOM 225 C THR A 14 31.550 32.678 5.991 1.00 0.00 C ATOM 226 O THR A 14 32.723 32.611 5.682 1.00 0.00 O ATOM 227 CB THR A 14 30.584 34.475 4.549 1.00 0.00 C ATOM 228 OG1 THR A 14 29.710 33.565 3.896 1.00 0.00 O ATOM 229 CG2 THR A 14 31.920 34.521 3.805 1.00 0.00 C ATOM 0 H THR A 14 32.438 35.376 6.212 1.00 0.00 H new ATOM 0 HA THR A 14 29.846 33.892 6.492 1.00 0.00 H new ATOM 0 HB THR A 14 30.143 35.472 4.553 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.805 33.939 3.874 1.00 0.00 H new ATOM 0 HG21 THR A 14 31.754 34.850 2.779 1.00 0.00 H new ATOM 0 HG22 THR A 14 32.591 35.219 4.305 1.00 0.00 H new ATOM 0 HG23 THR A 14 32.368 33.527 3.800 1.00 0.00 H new ATOM 237 N LEU A 15 30.871 31.610 6.337 1.00 0.00 N ATOM 238 CA LEU A 15 31.521 30.261 6.364 1.00 0.00 C ATOM 239 C LEU A 15 30.660 29.262 5.587 1.00 0.00 C ATOM 240 O LEU A 15 29.450 29.371 5.539 1.00 0.00 O ATOM 241 CB LEU A 15 31.640 29.774 7.813 1.00 0.00 C ATOM 242 CG LEU A 15 32.689 30.599 8.579 1.00 0.00 C ATOM 243 CD1 LEU A 15 32.473 30.418 10.085 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.111 30.133 8.220 1.00 0.00 C ATOM 0 H LEU A 15 29.887 31.615 6.604 1.00 0.00 H new ATOM 0 HA LEU A 15 32.510 30.336 5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.673 29.855 8.310 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.918 28.720 7.826 1.00 0.00 H new ATOM 0 HG LEU A 15 32.578 31.648 8.303 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.214 31.001 10.632 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.473 30.760 10.353 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.578 29.364 10.344 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.839 30.728 8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.227 29.082 8.484 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.276 30.259 7.150 1.00 0.00 H new ATOM 256 N GLU A 16 31.284 28.270 5.007 1.00 0.00 N ATOM 257 CA GLU A 16 30.533 27.217 4.254 1.00 0.00 C ATOM 258 C GLU A 16 30.640 25.920 5.051 1.00 0.00 C ATOM 259 O GLU A 16 31.721 25.514 5.430 1.00 0.00 O ATOM 260 CB GLU A 16 31.163 27.023 2.871 1.00 0.00 C ATOM 261 CG GLU A 16 30.253 26.135 2.019 1.00 0.00 C ATOM 262 CD GLU A 16 30.945 25.818 0.692 1.00 0.00 C ATOM 263 OE1 GLU A 16 31.207 26.746 -0.054 1.00 0.00 O ATOM 264 OE2 GLU A 16 31.203 24.651 0.446 1.00 0.00 O ATOM 0 H GLU A 16 32.296 28.142 5.022 1.00 0.00 H new ATOM 0 HA GLU A 16 29.490 27.506 4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 16 31.306 27.988 2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 16 32.148 26.566 2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.026 25.212 2.552 1.00 0.00 H new ATOM 0 HG3 GLU A 16 29.304 26.639 1.835 1.00 0.00 H new ATOM 271 N VAL A 17 29.541 25.265 5.327 1.00 0.00 N ATOM 272 CA VAL A 17 29.614 23.999 6.121 1.00 0.00 C ATOM 273 C VAL A 17 28.540 23.015 5.652 1.00 0.00 C ATOM 274 O VAL A 17 27.694 23.332 4.837 1.00 0.00 O ATOM 275 CB VAL A 17 29.417 24.318 7.623 1.00 0.00 C ATOM 276 CG1 VAL A 17 30.045 25.678 7.950 1.00 0.00 C ATOM 277 CG2 VAL A 17 27.920 24.355 7.983 1.00 0.00 C ATOM 0 H VAL A 17 28.604 25.548 5.040 1.00 0.00 H new ATOM 0 HA VAL A 17 30.593 23.543 5.973 1.00 0.00 H new ATOM 0 HB VAL A 17 29.901 23.534 8.205 1.00 0.00 H new ATOM 0 HG11 VAL A 17 29.904 25.899 9.008 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.111 25.650 7.724 1.00 0.00 H new ATOM 0 HG13 VAL A 17 29.567 26.453 7.351 1.00 0.00 H new ATOM 0 HG21 VAL A 17 27.806 24.581 9.043 1.00 0.00 H new ATOM 0 HG22 VAL A 17 27.423 25.125 7.393 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.470 23.386 7.768 1.00 0.00 H new ATOM 287 N GLU A 18 28.568 21.826 6.191 1.00 0.00 N ATOM 288 CA GLU A 18 27.557 20.789 5.834 1.00 0.00 C ATOM 289 C GLU A 18 26.614 20.620 7.032 1.00 0.00 C ATOM 290 O GLU A 18 26.999 20.861 8.158 1.00 0.00 O ATOM 291 CB GLU A 18 28.281 19.467 5.557 1.00 0.00 C ATOM 292 CG GLU A 18 28.923 19.514 4.169 1.00 0.00 C ATOM 293 CD GLU A 18 29.646 18.194 3.896 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.145 17.168 4.325 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.688 18.232 3.262 1.00 0.00 O ATOM 0 H GLU A 18 29.261 21.524 6.876 1.00 0.00 H new ATOM 0 HA GLU A 18 26.992 21.082 4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 18 29.044 19.293 6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 18 27.578 18.636 5.615 1.00 0.00 H new ATOM 0 HG2 GLU A 18 28.160 19.687 3.410 1.00 0.00 H new ATOM 0 HG3 GLU A 18 29.626 20.345 4.110 1.00 0.00 H new ATOM 302 N PRO A 19 25.392 20.213 6.810 1.00 0.00 N ATOM 303 CA PRO A 19 24.409 20.016 7.920 1.00 0.00 C ATOM 304 C PRO A 19 24.819 18.845 8.815 1.00 0.00 C ATOM 305 O PRO A 19 24.611 18.853 10.013 1.00 0.00 O ATOM 306 CB PRO A 19 23.098 19.710 7.182 1.00 0.00 C ATOM 307 CG PRO A 19 23.540 19.119 5.889 1.00 0.00 C ATOM 308 CD PRO A 19 24.799 19.886 5.502 1.00 0.00 C ATOM 0 HA PRO A 19 24.335 20.879 8.581 1.00 0.00 H new ATOM 0 HB2 PRO A 19 22.476 19.015 7.746 1.00 0.00 H new ATOM 0 HB3 PRO A 19 22.508 20.613 7.027 1.00 0.00 H new ATOM 0 HG2 PRO A 19 23.746 18.054 5.994 1.00 0.00 H new ATOM 0 HG3 PRO A 19 22.768 19.221 5.126 1.00 0.00 H new ATOM 0 HD2 PRO A 19 25.471 19.281 4.892 1.00 0.00 H new ATOM 0 HD3 PRO A 19 24.567 20.782 4.927 1.00 0.00 H new ATOM 316 N SER A 20 25.410 17.839 8.231 1.00 0.00 N ATOM 317 CA SER A 20 25.848 16.659 9.023 1.00 0.00 C ATOM 318 C SER A 20 27.236 16.929 9.603 1.00 0.00 C ATOM 319 O SER A 20 27.813 16.090 10.265 1.00 0.00 O ATOM 320 CB SER A 20 25.906 15.431 8.114 1.00 0.00 C ATOM 321 OG SER A 20 26.265 14.291 8.886 1.00 0.00 O ATOM 0 H SER A 20 25.609 17.785 7.232 1.00 0.00 H new ATOM 0 HA SER A 20 25.142 16.478 9.833 1.00 0.00 H new ATOM 0 HB2 SER A 20 24.939 15.272 7.637 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.633 15.588 7.317 1.00 0.00 H new ATOM 0 HG SER A 20 26.782 14.575 9.669 1.00 0.00 H new ATOM 327 N ASP A 21 27.781 18.094 9.365 1.00 0.00 N ATOM 328 CA ASP A 21 29.134 18.387 9.922 1.00 0.00 C ATOM 329 C ASP A 21 29.055 18.324 11.452 1.00 0.00 C ATOM 330 O ASP A 21 28.042 18.640 12.042 1.00 0.00 O ATOM 331 CB ASP A 21 29.615 19.784 9.462 1.00 0.00 C ATOM 332 CG ASP A 21 31.138 19.781 9.276 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.603 19.108 8.371 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.812 20.452 10.040 1.00 0.00 O ATOM 0 H ASP A 21 27.356 18.843 8.819 1.00 0.00 H new ATOM 0 HA ASP A 21 29.851 17.650 9.560 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.127 20.056 8.526 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.332 20.536 10.199 1.00 0.00 H new ATOM 339 N THR A 22 30.114 17.917 12.098 1.00 0.00 N ATOM 340 CA THR A 22 30.100 17.836 13.588 1.00 0.00 C ATOM 341 C THR A 22 30.547 19.179 14.159 1.00 0.00 C ATOM 342 O THR A 22 31.245 19.930 13.512 1.00 0.00 O ATOM 343 CB THR A 22 31.067 16.738 14.043 1.00 0.00 C ATOM 344 OG1 THR A 22 32.401 17.132 13.749 1.00 0.00 O ATOM 345 CG2 THR A 22 30.747 15.434 13.308 1.00 0.00 C ATOM 0 H THR A 22 30.990 17.636 11.658 1.00 0.00 H new ATOM 0 HA THR A 22 29.095 17.602 13.940 1.00 0.00 H new ATOM 0 HB THR A 22 30.960 16.583 15.117 1.00 0.00 H new ATOM 0 HG1 THR A 22 32.907 16.358 13.424 1.00 0.00 H new ATOM 0 HG21 THR A 22 31.436 14.655 13.633 1.00 0.00 H new ATOM 0 HG22 THR A 22 29.724 15.131 13.533 1.00 0.00 H new ATOM 0 HG23 THR A 22 30.852 15.586 12.234 1.00 0.00 H new ATOM 353 N ILE A 23 30.163 19.490 15.366 1.00 0.00 N ATOM 354 CA ILE A 23 30.586 20.788 15.961 1.00 0.00 C ATOM 355 C ILE A 23 32.122 20.850 15.938 1.00 0.00 C ATOM 356 O ILE A 23 32.712 21.861 15.614 1.00 0.00 O ATOM 357 CB ILE A 23 30.068 20.881 17.411 1.00 0.00 C ATOM 358 CG1 ILE A 23 28.559 21.201 17.430 1.00 0.00 C ATOM 359 CG2 ILE A 23 30.813 21.986 18.171 1.00 0.00 C ATOM 360 CD1 ILE A 23 27.747 19.978 17.001 1.00 0.00 C ATOM 0 H ILE A 23 29.578 18.905 15.963 1.00 0.00 H new ATOM 0 HA ILE A 23 30.176 21.622 15.392 1.00 0.00 H new ATOM 0 HB ILE A 23 30.242 19.918 17.891 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.259 21.511 18.431 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.350 22.036 16.762 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.438 22.041 19.193 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.879 21.761 18.188 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.652 22.942 17.673 1.00 0.00 H new ATOM 0 HD11 ILE A 23 26.685 20.222 17.020 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.034 19.687 15.991 1.00 0.00 H new ATOM 0 HD13 ILE A 23 27.942 19.153 17.686 1.00 0.00 H new ATOM 372 N GLU A 24 32.768 19.768 16.281 1.00 0.00 N ATOM 373 CA GLU A 24 34.261 19.743 16.291 1.00 0.00 C ATOM 374 C GLU A 24 34.802 19.950 14.875 1.00 0.00 C ATOM 375 O GLU A 24 35.799 20.611 14.669 1.00 0.00 O ATOM 376 CB GLU A 24 34.731 18.380 16.805 1.00 0.00 C ATOM 377 CG GLU A 24 36.196 18.469 17.244 1.00 0.00 C ATOM 378 CD GLU A 24 36.689 17.082 17.659 1.00 0.00 C ATOM 379 OE1 GLU A 24 36.219 16.112 17.087 1.00 0.00 O ATOM 380 OE2 GLU A 24 37.529 17.013 18.542 1.00 0.00 O ATOM 0 H GLU A 24 32.322 18.893 16.557 1.00 0.00 H new ATOM 0 HA GLU A 24 34.628 20.542 16.936 1.00 0.00 H new ATOM 0 HB2 GLU A 24 34.109 18.063 17.642 1.00 0.00 H new ATOM 0 HB3 GLU A 24 34.621 17.628 16.023 1.00 0.00 H new ATOM 0 HG2 GLU A 24 36.808 18.855 16.429 1.00 0.00 H new ATOM 0 HG3 GLU A 24 36.296 19.166 18.076 1.00 0.00 H new ATOM 387 N ASN A 25 34.149 19.391 13.900 1.00 0.00 N ATOM 388 CA ASN A 25 34.627 19.552 12.493 1.00 0.00 C ATOM 389 C ASN A 25 34.422 20.998 12.041 1.00 0.00 C ATOM 390 O ASN A 25 35.267 21.586 11.392 1.00 0.00 O ATOM 391 CB ASN A 25 33.837 18.615 11.572 1.00 0.00 C ATOM 392 CG ASN A 25 34.433 18.658 10.164 1.00 0.00 C ATOM 393 OD1 ASN A 25 35.057 19.631 9.785 1.00 0.00 O ATOM 394 ND2 ASN A 25 34.266 17.639 9.367 1.00 0.00 N ATOM 0 H ASN A 25 33.305 18.829 14.011 1.00 0.00 H new ATOM 0 HA ASN A 25 35.687 19.304 12.444 1.00 0.00 H new ATOM 0 HB2 ASN A 25 33.867 17.597 11.960 1.00 0.00 H new ATOM 0 HB3 ASN A 25 32.789 18.914 11.544 1.00 0.00 H new ATOM 0 HD21 ASN A 25 34.659 17.658 8.426 1.00 0.00 H new ATOM 0 HD22 ASN A 25 33.743 16.823 9.685 1.00 0.00 H new ATOM 401 N VAL A 26 33.307 21.582 12.376 1.00 0.00 N ATOM 402 CA VAL A 26 33.055 22.988 11.961 1.00 0.00 C ATOM 403 C VAL A 26 34.040 23.911 12.682 1.00 0.00 C ATOM 404 O VAL A 26 34.412 24.952 12.175 1.00 0.00 O ATOM 405 CB VAL A 26 31.617 23.380 12.308 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.381 24.840 11.930 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.644 22.504 11.518 1.00 0.00 C ATOM 0 H VAL A 26 32.560 21.147 12.918 1.00 0.00 H new ATOM 0 HA VAL A 26 33.195 23.083 10.884 1.00 0.00 H new ATOM 0 HB VAL A 26 31.456 23.243 13.377 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.357 25.119 12.177 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.073 25.475 12.482 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.544 24.970 10.860 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.620 22.783 11.765 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.811 22.646 10.450 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.806 21.457 11.774 1.00 0.00 H new ATOM 417 N LYS A 27 34.481 23.538 13.856 1.00 0.00 N ATOM 418 CA LYS A 27 35.453 24.394 14.592 1.00 0.00 C ATOM 419 C LYS A 27 36.806 24.277 13.899 1.00 0.00 C ATOM 420 O LYS A 27 37.561 25.225 13.803 1.00 0.00 O ATOM 421 CB LYS A 27 35.570 23.906 16.042 1.00 0.00 C ATOM 422 CG LYS A 27 34.382 24.419 16.859 1.00 0.00 C ATOM 423 CD LYS A 27 34.526 23.958 18.314 1.00 0.00 C ATOM 424 CE LYS A 27 33.585 24.773 19.205 1.00 0.00 C ATOM 425 NZ LYS A 27 32.186 24.630 18.712 1.00 0.00 N ATOM 0 H LYS A 27 34.209 22.679 14.334 1.00 0.00 H new ATOM 0 HA LYS A 27 35.120 25.432 14.596 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.597 22.817 16.068 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.504 24.259 16.480 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.338 25.507 16.814 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.449 24.045 16.438 1.00 0.00 H new ATOM 0 HD2 LYS A 27 34.292 22.897 18.395 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.557 24.083 18.646 1.00 0.00 H new ATOM 0 HE2 LYS A 27 33.655 24.429 20.237 1.00 0.00 H new ATOM 0 HE3 LYS A 27 33.879 25.823 19.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.743 25.569 18.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 32.193 24.185 17.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.644 24.037 19.372 1.00 0.00 H new ATOM 439 N ALA A 28 37.101 23.114 13.400 1.00 0.00 N ATOM 440 CA ALA A 28 38.383 22.902 12.687 1.00 0.00 C ATOM 441 C ALA A 28 38.436 23.848 11.486 1.00 0.00 C ATOM 442 O ALA A 28 39.452 24.447 11.187 1.00 0.00 O ATOM 443 CB ALA A 28 38.431 21.451 12.214 1.00 0.00 C ATOM 0 H ALA A 28 36.500 22.292 13.457 1.00 0.00 H new ATOM 0 HA ALA A 28 39.233 23.103 13.340 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.367 21.271 11.686 1.00 0.00 H new ATOM 0 HB2 ALA A 28 38.367 20.785 13.075 1.00 0.00 H new ATOM 0 HB3 ALA A 28 37.593 21.259 11.543 1.00 0.00 H new ATOM 449 N LYS A 29 37.334 23.983 10.803 1.00 0.00 N ATOM 450 CA LYS A 29 37.287 24.890 9.624 1.00 0.00 C ATOM 451 C LYS A 29 37.548 26.325 10.085 1.00 0.00 C ATOM 452 O LYS A 29 38.304 27.059 9.477 1.00 0.00 O ATOM 453 CB LYS A 29 35.905 24.816 8.977 1.00 0.00 C ATOM 454 CG LYS A 29 35.660 23.403 8.448 1.00 0.00 C ATOM 455 CD LYS A 29 34.254 23.323 7.856 1.00 0.00 C ATOM 456 CE LYS A 29 33.994 21.905 7.347 1.00 0.00 C ATOM 457 NZ LYS A 29 32.609 21.821 6.804 1.00 0.00 N ATOM 0 H LYS A 29 36.460 23.501 11.012 1.00 0.00 H new ATOM 0 HA LYS A 29 38.045 24.588 8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.138 25.081 9.704 1.00 0.00 H new ATOM 0 HB3 LYS A 29 35.835 25.537 8.163 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.401 23.153 7.689 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.770 22.677 9.253 1.00 0.00 H new ATOM 0 HD2 LYS A 29 33.515 23.591 8.611 1.00 0.00 H new ATOM 0 HD3 LYS A 29 34.150 24.038 7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 29 34.716 21.646 6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.123 21.187 8.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 32.208 20.886 7.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 32.020 22.560 7.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 32.631 21.958 5.773 1.00 0.00 H new ATOM 471 N ILE A 30 36.921 26.730 11.156 1.00 0.00 N ATOM 472 CA ILE A 30 37.121 28.116 11.665 1.00 0.00 C ATOM 473 C ILE A 30 38.562 28.285 12.145 1.00 0.00 C ATOM 474 O ILE A 30 39.160 29.325 11.978 1.00 0.00 O ATOM 475 CB ILE A 30 36.164 28.372 12.830 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.723 28.315 12.319 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.436 29.759 13.424 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.758 28.295 13.506 1.00 0.00 C ATOM 0 H ILE A 30 36.277 26.158 11.702 1.00 0.00 H new ATOM 0 HA ILE A 30 36.921 28.828 10.864 1.00 0.00 H new ATOM 0 HB ILE A 30 36.314 27.613 13.598 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.517 29.177 11.684 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.579 27.426 11.705 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.753 29.940 14.254 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.464 29.806 13.783 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.285 30.519 12.658 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.732 28.254 13.140 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.958 27.419 14.123 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.895 29.197 14.102 1.00 0.00 H new ATOM 490 N GLN A 31 39.118 27.274 12.750 1.00 0.00 N ATOM 491 CA GLN A 31 40.518 27.377 13.252 1.00 0.00 C ATOM 492 C GLN A 31 41.468 27.676 12.090 1.00 0.00 C ATOM 493 O GLN A 31 42.315 28.542 12.172 1.00 0.00 O ATOM 494 CB GLN A 31 40.914 26.047 13.898 1.00 0.00 C ATOM 495 CG GLN A 31 42.348 26.129 14.426 1.00 0.00 C ATOM 496 CD GLN A 31 42.683 24.848 15.193 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.501 23.758 14.687 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.167 24.934 16.401 1.00 0.00 N ATOM 0 H GLN A 31 38.663 26.377 12.920 1.00 0.00 H new ATOM 0 HA GLN A 31 40.583 28.183 13.983 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.230 25.811 14.713 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.831 25.240 13.170 1.00 0.00 H new ATOM 0 HG2 GLN A 31 43.045 26.263 13.598 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.458 26.995 15.078 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.320 25.849 16.825 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.393 24.086 16.921 1.00 0.00 H new ATOM 507 N ASP A 32 41.346 26.947 11.018 1.00 0.00 N ATOM 508 CA ASP A 32 42.255 27.163 9.856 1.00 0.00 C ATOM 509 C ASP A 32 42.011 28.531 9.205 1.00 0.00 C ATOM 510 O ASP A 32 42.925 29.151 8.701 1.00 0.00 O ATOM 511 CB ASP A 32 42.014 26.064 8.819 1.00 0.00 C ATOM 512 CG ASP A 32 42.441 24.713 9.397 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.634 24.507 9.547 1.00 0.00 O ATOM 514 OD2 ASP A 32 41.569 23.909 9.680 1.00 0.00 O ATOM 0 H ASP A 32 40.654 26.208 10.894 1.00 0.00 H new ATOM 0 HA ASP A 32 43.284 27.131 10.214 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.960 26.036 8.542 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.577 26.277 7.910 1.00 0.00 H new ATOM 519 N LYS A 33 40.789 28.996 9.176 1.00 0.00 N ATOM 520 CA LYS A 33 40.509 30.310 8.512 1.00 0.00 C ATOM 521 C LYS A 33 40.744 31.489 9.465 1.00 0.00 C ATOM 522 O LYS A 33 41.354 32.474 9.097 1.00 0.00 O ATOM 523 CB LYS A 33 39.051 30.327 8.035 1.00 0.00 C ATOM 524 CG LYS A 33 38.851 29.310 6.894 1.00 0.00 C ATOM 525 CD LYS A 33 39.208 29.946 5.543 1.00 0.00 C ATOM 526 CE LYS A 33 39.010 28.918 4.428 1.00 0.00 C ATOM 527 NZ LYS A 33 39.451 29.503 3.130 1.00 0.00 N ATOM 0 H LYS A 33 39.977 28.529 9.579 1.00 0.00 H new ATOM 0 HA LYS A 33 41.192 30.419 7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.387 30.088 8.865 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.785 31.327 7.691 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.475 28.433 7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 33 37.816 28.968 6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 33 38.581 30.819 5.363 1.00 0.00 H new ATOM 0 HD3 LYS A 33 40.241 30.292 5.554 1.00 0.00 H new ATOM 0 HE2 LYS A 33 39.581 28.015 4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.962 28.626 4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 39.317 28.805 2.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 38.888 30.352 2.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 40.457 29.761 3.189 1.00 0.00 H new ATOM 541 N GLU A 34 40.260 31.419 10.676 1.00 0.00 N ATOM 542 CA GLU A 34 40.456 32.560 11.623 1.00 0.00 C ATOM 543 C GLU A 34 41.813 32.427 12.318 1.00 0.00 C ATOM 544 O GLU A 34 42.424 33.404 12.700 1.00 0.00 O ATOM 545 CB GLU A 34 39.327 32.562 12.656 1.00 0.00 C ATOM 546 CG GLU A 34 37.994 32.806 11.942 1.00 0.00 C ATOM 547 CD GLU A 34 36.891 33.033 12.977 1.00 0.00 C ATOM 548 OE1 GLU A 34 36.961 32.425 14.033 1.00 0.00 O ATOM 549 OE2 GLU A 34 35.995 33.812 12.698 1.00 0.00 O ATOM 0 H GLU A 34 39.740 30.626 11.051 1.00 0.00 H new ATOM 0 HA GLU A 34 40.436 33.501 11.073 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.301 31.610 13.186 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.501 33.337 13.402 1.00 0.00 H new ATOM 0 HG2 GLU A 34 38.075 33.673 11.286 1.00 0.00 H new ATOM 0 HG3 GLU A 34 37.745 31.952 11.312 1.00 0.00 H new ATOM 556 N GLY A 35 42.303 31.226 12.453 1.00 0.00 N ATOM 557 CA GLY A 35 43.638 31.030 13.087 1.00 0.00 C ATOM 558 C GLY A 35 43.561 31.174 14.612 1.00 0.00 C ATOM 559 O GLY A 35 44.567 31.106 15.291 1.00 0.00 O ATOM 0 H GLY A 35 41.837 30.370 12.152 1.00 0.00 H new ATOM 0 HA2 GLY A 35 44.022 30.042 12.832 1.00 0.00 H new ATOM 0 HA3 GLY A 35 44.343 31.759 12.687 1.00 0.00 H new ATOM 563 N ILE A 36 42.392 31.367 15.168 1.00 0.00 N ATOM 564 CA ILE A 36 42.292 31.506 16.657 1.00 0.00 C ATOM 565 C ILE A 36 41.996 30.119 17.265 1.00 0.00 C ATOM 566 O ILE A 36 41.032 29.486 16.883 1.00 0.00 O ATOM 567 CB ILE A 36 41.149 32.466 16.999 1.00 0.00 C ATOM 568 CG1 ILE A 36 41.250 33.718 16.118 1.00 0.00 C ATOM 569 CG2 ILE A 36 41.246 32.871 18.471 1.00 0.00 C ATOM 570 CD1 ILE A 36 42.664 34.305 16.186 1.00 0.00 C ATOM 0 H ILE A 36 41.508 31.434 14.663 1.00 0.00 H new ATOM 0 HA ILE A 36 43.226 31.897 17.060 1.00 0.00 H new ATOM 0 HB ILE A 36 40.194 31.971 16.819 1.00 0.00 H new ATOM 0 HG12 ILE A 36 41.003 33.466 15.087 1.00 0.00 H new ATOM 0 HG13 ILE A 36 40.524 34.462 16.447 1.00 0.00 H new ATOM 0 HG21 ILE A 36 40.433 33.554 18.715 1.00 0.00 H new ATOM 0 HG22 ILE A 36 41.174 31.983 19.098 1.00 0.00 H new ATOM 0 HG23 ILE A 36 42.201 33.365 18.650 1.00 0.00 H new ATOM 0 HD11 ILE A 36 42.720 35.193 15.556 1.00 0.00 H new ATOM 0 HD12 ILE A 36 42.896 34.576 17.216 1.00 0.00 H new ATOM 0 HD13 ILE A 36 43.383 33.565 15.835 1.00 0.00 H new ATOM 582 N PRO A 37 42.798 29.624 18.196 1.00 0.00 N ATOM 583 CA PRO A 37 42.549 28.278 18.801 1.00 0.00 C ATOM 584 C PRO A 37 41.078 28.097 19.251 1.00 0.00 C ATOM 585 O PRO A 37 40.552 28.932 19.960 1.00 0.00 O ATOM 586 CB PRO A 37 43.470 28.270 20.032 1.00 0.00 C ATOM 587 CG PRO A 37 44.602 29.174 19.674 1.00 0.00 C ATOM 588 CD PRO A 37 44.014 30.254 18.759 1.00 0.00 C ATOM 0 HA PRO A 37 42.740 27.474 18.090 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.946 28.626 20.919 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.824 27.263 20.253 1.00 0.00 H new ATOM 0 HG2 PRO A 37 45.043 29.618 20.567 1.00 0.00 H new ATOM 0 HG3 PRO A 37 45.394 28.623 19.167 1.00 0.00 H new ATOM 0 HD2 PRO A 37 43.773 31.160 19.315 1.00 0.00 H new ATOM 0 HD3 PRO A 37 44.716 30.538 17.975 1.00 0.00 H new ATOM 596 N PRO A 38 40.420 27.011 18.881 1.00 0.00 N ATOM 597 CA PRO A 38 39.009 26.748 19.308 1.00 0.00 C ATOM 598 C PRO A 38 38.787 26.915 20.819 1.00 0.00 C ATOM 599 O PRO A 38 37.682 27.154 21.266 1.00 0.00 O ATOM 600 CB PRO A 38 38.782 25.291 18.909 1.00 0.00 C ATOM 601 CG PRO A 38 39.644 25.114 17.720 1.00 0.00 C ATOM 602 CD PRO A 38 40.906 25.928 18.000 1.00 0.00 C ATOM 0 HA PRO A 38 38.322 27.457 18.845 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.061 24.608 19.711 1.00 0.00 H new ATOM 0 HB3 PRO A 38 37.735 25.098 18.676 1.00 0.00 H new ATOM 0 HG2 PRO A 38 39.883 24.062 17.563 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.144 25.465 16.818 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.673 25.326 18.487 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.344 26.321 17.082 1.00 0.00 H new ATOM 610 N ASP A 39 39.817 26.769 21.610 1.00 0.00 N ATOM 611 CA ASP A 39 39.651 26.892 23.088 1.00 0.00 C ATOM 612 C ASP A 39 39.417 28.351 23.485 1.00 0.00 C ATOM 613 O ASP A 39 39.098 28.645 24.620 1.00 0.00 O ATOM 614 CB ASP A 39 40.917 26.376 23.777 1.00 0.00 C ATOM 615 CG ASP A 39 40.657 26.219 25.276 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.807 25.419 25.629 1.00 0.00 O ATOM 617 OD2 ASP A 39 41.314 26.902 26.046 1.00 0.00 O ATOM 0 H ASP A 39 40.767 26.570 21.296 1.00 0.00 H new ATOM 0 HA ASP A 39 38.787 26.304 23.397 1.00 0.00 H new ATOM 0 HB2 ASP A 39 41.213 25.419 23.347 1.00 0.00 H new ATOM 0 HB3 ASP A 39 41.742 27.069 23.611 1.00 0.00 H new ATOM 622 N GLN A 40 39.576 29.268 22.566 1.00 0.00 N ATOM 623 CA GLN A 40 39.365 30.716 22.892 1.00 0.00 C ATOM 624 C GLN A 40 38.018 31.182 22.333 1.00 0.00 C ATOM 625 O GLN A 40 37.446 32.147 22.799 1.00 0.00 O ATOM 626 CB GLN A 40 40.485 31.541 22.252 1.00 0.00 C ATOM 627 CG GLN A 40 40.401 32.990 22.739 1.00 0.00 C ATOM 628 CD GLN A 40 41.639 33.758 22.272 1.00 0.00 C ATOM 629 OE1 GLN A 40 41.830 33.967 21.090 1.00 0.00 O ATOM 630 NE2 GLN A 40 42.495 34.191 23.157 1.00 0.00 N ATOM 0 H GLN A 40 39.844 29.079 21.600 1.00 0.00 H new ATOM 0 HA GLN A 40 39.373 30.849 23.974 1.00 0.00 H new ATOM 0 HB2 GLN A 40 41.455 31.116 22.509 1.00 0.00 H new ATOM 0 HB3 GLN A 40 40.400 31.507 21.166 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.499 33.463 22.352 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.333 33.016 23.827 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.335 34.016 24.149 1.00 0.00 H new ATOM 0 HE22 GLN A 40 43.324 34.704 22.857 1.00 0.00 H new ATOM 639 N GLN A 41 37.512 30.512 21.328 1.00 0.00 N ATOM 640 CA GLN A 41 36.207 30.928 20.720 1.00 0.00 C ATOM 641 C GLN A 41 35.052 30.080 21.276 1.00 0.00 C ATOM 642 O GLN A 41 35.163 28.878 21.428 1.00 0.00 O ATOM 643 CB GLN A 41 36.289 30.752 19.202 1.00 0.00 C ATOM 644 CG GLN A 41 37.379 31.673 18.644 1.00 0.00 C ATOM 645 CD GLN A 41 37.376 31.604 17.116 1.00 0.00 C ATOM 646 OE1 GLN A 41 36.893 30.650 16.540 1.00 0.00 O ATOM 647 NE2 GLN A 41 37.901 32.584 16.427 1.00 0.00 N ATOM 0 H GLN A 41 37.946 29.694 20.901 1.00 0.00 H new ATOM 0 HA GLN A 41 36.016 31.972 20.968 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.513 29.714 18.956 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.328 30.988 18.745 1.00 0.00 H new ATOM 0 HG2 GLN A 41 37.206 32.698 18.972 1.00 0.00 H new ATOM 0 HG3 GLN A 41 38.354 31.375 19.030 1.00 0.00 H new ATOM 0 HE21 GLN A 41 38.307 33.386 16.909 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.904 32.546 15.408 1.00 0.00 H new ATOM 656 N ARG A 42 33.935 30.715 21.562 1.00 0.00 N ATOM 657 CA ARG A 42 32.732 29.988 22.094 1.00 0.00 C ATOM 658 C ARG A 42 31.564 30.259 21.139 1.00 0.00 C ATOM 659 O ARG A 42 31.104 31.377 21.009 1.00 0.00 O ATOM 660 CB ARG A 42 32.424 30.493 23.512 1.00 0.00 C ATOM 661 CG ARG A 42 33.693 30.272 24.328 1.00 0.00 C ATOM 662 CD ARG A 42 33.563 30.680 25.818 1.00 0.00 C ATOM 663 NE ARG A 42 32.145 30.759 26.320 1.00 0.00 N ATOM 664 CZ ARG A 42 31.839 31.637 27.270 1.00 0.00 C ATOM 665 NH1 ARG A 42 30.753 31.504 27.976 1.00 0.00 N ATOM 666 NH2 ARG A 42 32.599 32.680 27.483 1.00 0.00 N ATOM 0 H ARG A 42 33.805 31.720 21.448 1.00 0.00 H new ATOM 0 HA ARG A 42 32.908 28.914 22.153 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.149 31.548 23.498 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.584 29.950 23.945 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.969 29.219 24.273 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.507 30.839 23.876 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.112 29.962 26.428 1.00 0.00 H new ATOM 0 HD3 ARG A 42 34.040 31.650 25.960 1.00 0.00 H new ATOM 0 HE ARG A 42 31.427 30.145 25.935 1.00 0.00 H new ATOM 0 HH11 ARG A 42 30.125 30.719 27.803 1.00 0.00 H new ATOM 0 HH12 ARG A 42 30.530 32.185 28.702 1.00 0.00 H new ATOM 0 HH21 ARG A 42 33.435 32.826 26.918 1.00 0.00 H new ATOM 0 HH22 ARG A 42 32.355 33.348 28.214 1.00 0.00 H new ATOM 680 N LEU A 43 31.110 29.251 20.432 1.00 0.00 N ATOM 681 CA LEU A 43 30.004 29.461 19.445 1.00 0.00 C ATOM 682 C LEU A 43 28.635 29.294 20.108 1.00 0.00 C ATOM 683 O LEU A 43 28.325 28.262 20.677 1.00 0.00 O ATOM 684 CB LEU A 43 30.142 28.440 18.307 1.00 0.00 C ATOM 685 CG LEU A 43 31.604 28.371 17.849 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.703 27.504 16.591 1.00 0.00 C ATOM 687 CD2 LEU A 43 32.119 29.783 17.541 1.00 0.00 C ATOM 0 H LEU A 43 31.457 28.294 20.496 1.00 0.00 H new ATOM 0 HA LEU A 43 30.077 30.476 19.055 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.810 27.458 18.644 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.502 28.724 17.471 1.00 0.00 H new ATOM 0 HG LEU A 43 32.210 27.934 18.642 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.742 27.454 16.264 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.344 26.499 16.812 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.094 27.941 15.799 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.158 29.729 17.216 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.514 30.226 16.750 1.00 0.00 H new ATOM 0 HD23 LEU A 43 32.051 30.399 18.438 1.00 0.00 H new ATOM 699 N ILE A 44 27.816 30.314 20.023 1.00 0.00 N ATOM 700 CA ILE A 44 26.444 30.261 20.615 1.00 0.00 C ATOM 701 C ILE A 44 25.423 30.352 19.479 1.00 0.00 C ATOM 702 O ILE A 44 25.516 31.207 18.618 1.00 0.00 O ATOM 703 CB ILE A 44 26.245 31.450 21.574 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.002 31.193 22.888 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.747 31.640 21.881 1.00 0.00 C ATOM 706 CD1 ILE A 44 28.522 31.178 22.655 1.00 0.00 C ATOM 0 H ILE A 44 28.045 31.194 19.561 1.00 0.00 H new ATOM 0 HA ILE A 44 26.314 29.331 21.168 1.00 0.00 H new ATOM 0 HB ILE A 44 26.632 32.351 21.098 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.750 31.966 23.614 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.686 30.240 23.313 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.619 32.483 22.560 1.00 0.00 H new ATOM 0 HG22 ILE A 44 24.208 31.835 20.954 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.354 30.736 22.347 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.033 30.994 23.600 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.774 30.389 21.947 1.00 0.00 H new ATOM 0 HD13 ILE A 44 28.838 32.140 22.253 1.00 0.00 H new ATOM 718 N PHE A 45 24.436 29.493 19.484 1.00 0.00 N ATOM 719 CA PHE A 45 23.377 29.526 18.430 1.00 0.00 C ATOM 720 C PHE A 45 22.041 29.757 19.134 1.00 0.00 C ATOM 721 O PHE A 45 21.755 29.150 20.147 1.00 0.00 O ATOM 722 CB PHE A 45 23.349 28.184 17.676 1.00 0.00 C ATOM 723 CG PHE A 45 22.016 28.010 16.972 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.822 28.531 15.687 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.972 27.338 17.619 1.00 0.00 C ATOM 726 CE1 PHE A 45 20.584 28.378 15.049 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.736 27.184 16.981 1.00 0.00 C ATOM 728 CZ PHE A 45 19.542 27.704 15.696 1.00 0.00 C ATOM 0 H PHE A 45 24.317 28.760 20.183 1.00 0.00 H new ATOM 0 HA PHE A 45 23.574 30.319 17.708 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.160 28.149 16.949 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.511 27.362 18.374 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.626 29.051 15.188 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.121 26.938 18.611 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.434 28.780 14.058 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.932 26.664 17.480 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.588 27.585 15.204 1.00 0.00 H new ATOM 738 N ALA A 46 21.220 30.625 18.618 1.00 0.00 N ATOM 739 CA ALA A 46 19.915 30.877 19.280 1.00 0.00 C ATOM 740 C ALA A 46 20.151 31.130 20.773 1.00 0.00 C ATOM 741 O ALA A 46 20.730 32.131 21.152 1.00 0.00 O ATOM 742 CB ALA A 46 19.007 29.658 19.090 1.00 0.00 C ATOM 0 H ALA A 46 21.395 31.167 17.772 1.00 0.00 H new ATOM 0 HA ALA A 46 19.435 31.750 18.839 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.048 29.840 19.575 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.848 29.485 18.026 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.478 28.781 19.534 1.00 0.00 H new ATOM 748 N GLY A 47 19.700 30.239 21.624 1.00 0.00 N ATOM 749 CA GLY A 47 19.875 30.423 23.098 1.00 0.00 C ATOM 750 C GLY A 47 20.644 29.240 23.697 1.00 0.00 C ATOM 751 O GLY A 47 20.488 28.931 24.860 1.00 0.00 O ATOM 0 H GLY A 47 19.213 29.384 21.356 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.413 31.351 23.294 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.900 30.512 23.578 1.00 0.00 H new ATOM 755 N LYS A 48 21.500 28.594 22.936 1.00 0.00 N ATOM 756 CA LYS A 48 22.304 27.459 23.501 1.00 0.00 C ATOM 757 C LYS A 48 23.711 27.523 22.963 1.00 0.00 C ATOM 758 O LYS A 48 24.069 28.374 22.176 1.00 0.00 O ATOM 759 CB LYS A 48 21.763 26.079 23.095 1.00 0.00 C ATOM 760 CG LYS A 48 20.456 25.753 23.804 1.00 0.00 C ATOM 761 CD LYS A 48 20.632 25.759 25.334 1.00 0.00 C ATOM 762 CE LYS A 48 19.569 24.860 25.979 1.00 0.00 C ATOM 763 NZ LYS A 48 19.720 23.467 25.472 1.00 0.00 N ATOM 0 H LYS A 48 21.676 28.802 21.953 1.00 0.00 H new ATOM 0 HA LYS A 48 22.254 27.567 24.584 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.608 26.052 22.016 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.504 25.315 23.329 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.695 26.480 23.521 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.099 24.775 23.481 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.629 25.406 25.597 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.543 26.776 25.716 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.674 24.877 27.064 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.572 25.236 25.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.489 22.794 26.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.075 23.318 24.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.701 23.315 25.161 1.00 0.00 H new ATOM 777 N GLN A 49 24.506 26.598 23.396 1.00 0.00 N ATOM 778 CA GLN A 49 25.920 26.524 22.952 1.00 0.00 C ATOM 779 C GLN A 49 26.093 25.310 22.048 1.00 0.00 C ATOM 780 O GLN A 49 25.338 24.360 22.122 1.00 0.00 O ATOM 781 CB GLN A 49 26.820 26.395 24.176 1.00 0.00 C ATOM 782 CG GLN A 49 26.384 27.412 25.233 1.00 0.00 C ATOM 783 CD GLN A 49 27.383 27.409 26.390 1.00 0.00 C ATOM 784 OE1 GLN A 49 27.506 26.430 27.100 1.00 0.00 O ATOM 785 NE2 GLN A 49 28.108 28.471 26.612 1.00 0.00 N ATOM 0 H GLN A 49 24.231 25.870 24.056 1.00 0.00 H new ATOM 0 HA GLN A 49 26.190 27.425 22.401 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.761 25.385 24.581 1.00 0.00 H new ATOM 0 HB3 GLN A 49 27.860 26.566 23.897 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.325 28.407 24.792 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.387 27.166 25.599 1.00 0.00 H new ATOM 0 HE21 GLN A 49 28.005 29.293 26.016 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.778 28.480 27.381 1.00 0.00 H new ATOM 794 N LEU A 50 27.083 25.318 21.202 1.00 0.00 N ATOM 795 CA LEU A 50 27.297 24.148 20.307 1.00 0.00 C ATOM 796 C LEU A 50 28.088 23.086 21.081 1.00 0.00 C ATOM 797 O LEU A 50 29.259 23.259 21.360 1.00 0.00 O ATOM 798 CB LEU A 50 28.089 24.601 19.071 1.00 0.00 C ATOM 799 CG LEU A 50 27.138 25.242 18.043 1.00 0.00 C ATOM 800 CD1 LEU A 50 26.177 24.186 17.447 1.00 0.00 C ATOM 801 CD2 LEU A 50 26.332 26.356 18.727 1.00 0.00 C ATOM 0 H LEU A 50 27.751 26.081 21.091 1.00 0.00 H new ATOM 0 HA LEU A 50 26.344 23.731 19.983 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.858 25.316 19.363 1.00 0.00 H new ATOM 0 HB3 LEU A 50 28.600 23.749 18.624 1.00 0.00 H new ATOM 0 HG LEU A 50 27.730 25.660 17.228 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.515 24.663 16.724 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.755 23.407 16.951 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.582 23.743 18.246 1.00 0.00 H new ATOM 0 HD21 LEU A 50 25.657 26.813 18.004 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.752 25.934 19.548 1.00 0.00 H new ATOM 0 HD23 LEU A 50 27.014 27.112 19.116 1.00 0.00 H new ATOM 813 N GLU A 51 27.460 21.995 21.450 1.00 0.00 N ATOM 814 CA GLU A 51 28.174 20.941 22.221 1.00 0.00 C ATOM 815 C GLU A 51 29.001 20.068 21.266 1.00 0.00 C ATOM 816 O GLU A 51 28.689 19.931 20.103 1.00 0.00 O ATOM 817 CB GLU A 51 27.134 20.092 22.959 1.00 0.00 C ATOM 818 CG GLU A 51 27.816 18.929 23.680 1.00 0.00 C ATOM 819 CD GLU A 51 26.773 18.140 24.470 1.00 0.00 C ATOM 820 OE1 GLU A 51 25.967 18.764 25.140 1.00 0.00 O ATOM 821 OE2 GLU A 51 26.790 16.923 24.383 1.00 0.00 O ATOM 0 H GLU A 51 26.481 21.793 21.247 1.00 0.00 H new ATOM 0 HA GLU A 51 28.853 21.395 22.942 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.595 20.709 23.678 1.00 0.00 H new ATOM 0 HB3 GLU A 51 26.398 19.709 22.252 1.00 0.00 H new ATOM 0 HG2 GLU A 51 28.310 18.279 22.958 1.00 0.00 H new ATOM 0 HG3 GLU A 51 28.588 19.305 24.351 1.00 0.00 H new ATOM 828 N ASP A 52 30.063 19.497 21.758 1.00 0.00 N ATOM 829 CA ASP A 52 30.941 18.650 20.891 1.00 0.00 C ATOM 830 C ASP A 52 30.407 17.215 20.778 1.00 0.00 C ATOM 831 O ASP A 52 29.932 16.638 21.736 1.00 0.00 O ATOM 832 CB ASP A 52 32.343 18.600 21.500 1.00 0.00 C ATOM 833 CG ASP A 52 32.866 20.022 21.707 1.00 0.00 C ATOM 834 OD1 ASP A 52 32.407 20.672 22.631 1.00 0.00 O ATOM 835 OD2 ASP A 52 33.722 20.435 20.942 1.00 0.00 O ATOM 0 H ASP A 52 30.366 19.578 22.728 1.00 0.00 H new ATOM 0 HA ASP A 52 30.961 19.092 19.895 1.00 0.00 H new ATOM 0 HB2 ASP A 52 32.318 18.069 22.452 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.015 18.047 20.844 1.00 0.00 H new ATOM 840 N GLY A 53 30.524 16.619 19.609 1.00 0.00 N ATOM 841 CA GLY A 53 30.073 15.200 19.421 1.00 0.00 C ATOM 842 C GLY A 53 28.669 15.127 18.796 1.00 0.00 C ATOM 843 O GLY A 53 28.066 14.071 18.759 1.00 0.00 O ATOM 0 H GLY A 53 30.914 17.058 18.775 1.00 0.00 H new ATOM 0 HA2 GLY A 53 30.783 14.674 18.783 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.070 14.689 20.384 1.00 0.00 H new ATOM 847 N ARG A 54 28.131 16.231 18.316 1.00 0.00 N ATOM 848 CA ARG A 54 26.750 16.212 17.699 1.00 0.00 C ATOM 849 C ARG A 54 26.787 16.898 16.322 1.00 0.00 C ATOM 850 O ARG A 54 27.797 17.447 15.923 1.00 0.00 O ATOM 851 CB ARG A 54 25.764 16.944 18.622 1.00 0.00 C ATOM 852 CG ARG A 54 25.723 16.230 20.001 1.00 0.00 C ATOM 853 CD ARG A 54 25.226 17.178 21.133 1.00 0.00 C ATOM 854 NE ARG A 54 23.829 16.811 21.550 1.00 0.00 N ATOM 855 CZ ARG A 54 23.432 16.942 22.803 1.00 0.00 C ATOM 856 NH1 ARG A 54 22.168 16.818 23.094 1.00 0.00 N ATOM 857 NH2 ARG A 54 24.290 17.138 23.776 1.00 0.00 N ATOM 0 H ARG A 54 28.585 17.144 18.323 1.00 0.00 H new ATOM 0 HA ARG A 54 26.424 15.180 17.573 1.00 0.00 H new ATOM 0 HB2 ARG A 54 26.068 17.983 18.747 1.00 0.00 H new ATOM 0 HB3 ARG A 54 24.770 16.954 18.176 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.067 15.362 19.941 1.00 0.00 H new ATOM 0 HG3 ARG A 54 26.718 15.861 20.248 1.00 0.00 H new ATOM 0 HD2 ARG A 54 25.897 17.114 21.990 1.00 0.00 H new ATOM 0 HD3 ARG A 54 25.249 18.211 20.787 1.00 0.00 H new ATOM 0 HE ARG A 54 23.176 16.454 20.853 1.00 0.00 H new ATOM 0 HH11 ARG A 54 21.492 16.621 22.356 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.855 16.918 24.060 1.00 0.00 H new ATOM 0 HH21 ARG A 54 25.288 17.192 23.573 1.00 0.00 H new ATOM 0 HH22 ARG A 54 23.959 17.236 24.736 1.00 0.00 H new ATOM 871 N THR A 55 25.704 16.847 15.578 1.00 0.00 N ATOM 872 CA THR A 55 25.680 17.474 14.209 1.00 0.00 C ATOM 873 C THR A 55 24.915 18.802 14.220 1.00 0.00 C ATOM 874 O THR A 55 23.992 18.995 14.984 1.00 0.00 O ATOM 875 CB THR A 55 24.978 16.517 13.243 1.00 0.00 C ATOM 876 OG1 THR A 55 23.712 16.151 13.777 1.00 0.00 O ATOM 877 CG2 THR A 55 25.832 15.264 13.048 1.00 0.00 C ATOM 0 H THR A 55 24.832 16.398 15.859 1.00 0.00 H new ATOM 0 HA THR A 55 26.707 17.665 13.898 1.00 0.00 H new ATOM 0 HB THR A 55 24.839 17.011 12.281 1.00 0.00 H new ATOM 0 HG1 THR A 55 23.261 15.539 13.159 1.00 0.00 H new ATOM 0 HG21 THR A 55 25.329 14.585 12.360 1.00 0.00 H new ATOM 0 HG22 THR A 55 26.802 15.545 12.637 1.00 0.00 H new ATOM 0 HG23 THR A 55 25.975 14.768 14.008 1.00 0.00 H new ATOM 885 N LEU A 56 25.294 19.715 13.362 1.00 0.00 N ATOM 886 CA LEU A 56 24.597 21.036 13.299 1.00 0.00 C ATOM 887 C LEU A 56 23.097 20.813 13.047 1.00 0.00 C ATOM 888 O LEU A 56 22.264 21.566 13.512 1.00 0.00 O ATOM 889 CB LEU A 56 25.205 21.877 12.157 1.00 0.00 C ATOM 890 CG LEU A 56 26.390 22.700 12.681 1.00 0.00 C ATOM 891 CD1 LEU A 56 27.483 21.761 13.197 1.00 0.00 C ATOM 892 CD2 LEU A 56 26.954 23.563 11.549 1.00 0.00 C ATOM 0 H LEU A 56 26.061 19.602 12.699 1.00 0.00 H new ATOM 0 HA LEU A 56 24.724 21.566 14.243 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.535 21.223 11.350 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.447 22.541 11.740 1.00 0.00 H new ATOM 0 HG LEU A 56 26.050 23.341 13.494 1.00 0.00 H new ATOM 0 HD11 LEU A 56 28.322 22.349 13.568 1.00 0.00 H new ATOM 0 HD12 LEU A 56 27.084 21.148 14.005 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.822 21.117 12.386 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.795 24.147 11.922 1.00 0.00 H new ATOM 0 HD22 LEU A 56 27.290 22.921 10.735 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.178 24.236 11.184 1.00 0.00 H new ATOM 904 N SER A 57 22.747 19.786 12.322 1.00 0.00 N ATOM 905 CA SER A 57 21.303 19.525 12.057 1.00 0.00 C ATOM 906 C SER A 57 20.586 19.260 13.386 1.00 0.00 C ATOM 907 O SER A 57 19.377 19.351 13.484 1.00 0.00 O ATOM 908 CB SER A 57 21.159 18.302 11.149 1.00 0.00 C ATOM 909 OG SER A 57 19.788 18.119 10.820 1.00 0.00 O ATOM 0 H SER A 57 23.395 19.119 11.903 1.00 0.00 H new ATOM 0 HA SER A 57 20.861 20.392 11.566 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.748 18.437 10.242 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.546 17.415 11.651 1.00 0.00 H new ATOM 0 HG SER A 57 19.693 17.337 10.237 1.00 0.00 H new ATOM 915 N ASP A 58 21.327 18.920 14.404 1.00 0.00 N ATOM 916 CA ASP A 58 20.697 18.635 15.723 1.00 0.00 C ATOM 917 C ASP A 58 20.084 19.916 16.286 1.00 0.00 C ATOM 918 O ASP A 58 19.273 19.881 17.191 1.00 0.00 O ATOM 919 CB ASP A 58 21.752 18.101 16.695 1.00 0.00 C ATOM 920 CG ASP A 58 21.060 17.550 17.943 1.00 0.00 C ATOM 921 OD1 ASP A 58 20.859 18.316 18.871 1.00 0.00 O ATOM 922 OD2 ASP A 58 20.742 16.372 17.949 1.00 0.00 O ATOM 0 H ASP A 58 22.342 18.827 14.379 1.00 0.00 H new ATOM 0 HA ASP A 58 19.915 17.886 15.593 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.340 17.318 16.216 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.444 18.897 16.971 1.00 0.00 H new ATOM 927 N TYR A 59 20.474 21.050 15.763 1.00 0.00 N ATOM 928 CA TYR A 59 19.933 22.352 16.265 1.00 0.00 C ATOM 929 C TYR A 59 18.897 22.911 15.281 1.00 0.00 C ATOM 930 O TYR A 59 18.490 24.050 15.395 1.00 0.00 O ATOM 931 CB TYR A 59 21.097 23.350 16.402 1.00 0.00 C ATOM 932 CG TYR A 59 21.741 23.221 17.766 1.00 0.00 C ATOM 933 CD1 TYR A 59 23.047 22.727 17.891 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.032 23.621 18.905 1.00 0.00 C ATOM 935 CE1 TYR A 59 23.640 22.634 19.160 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.622 23.523 20.169 1.00 0.00 C ATOM 937 CZ TYR A 59 22.925 23.031 20.297 1.00 0.00 C ATOM 938 OH TYR A 59 23.507 22.941 21.545 1.00 0.00 O ATOM 0 H TYR A 59 21.150 21.132 15.003 1.00 0.00 H new ATOM 0 HA TYR A 59 19.452 22.197 17.231 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.837 23.165 15.624 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.732 24.367 16.259 1.00 0.00 H new ATOM 0 HD1 TYR A 59 23.596 22.419 17.013 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.028 24.006 18.807 1.00 0.00 H new ATOM 0 HE1 TYR A 59 24.647 22.257 19.259 1.00 0.00 H new ATOM 0 HE2 TYR A 59 21.071 23.827 21.047 1.00 0.00 H new ATOM 0 HH TYR A 59 23.850 23.820 21.810 1.00 0.00 H new ATOM 948 N ASN A 60 18.466 22.144 14.315 1.00 0.00 N ATOM 949 CA ASN A 60 17.463 22.675 13.347 1.00 0.00 C ATOM 950 C ASN A 60 17.967 24.000 12.767 1.00 0.00 C ATOM 951 O ASN A 60 17.224 24.950 12.619 1.00 0.00 O ATOM 952 CB ASN A 60 16.127 22.897 14.062 1.00 0.00 C ATOM 953 CG ASN A 60 15.644 21.575 14.662 1.00 0.00 C ATOM 954 OD1 ASN A 60 15.247 20.678 13.945 1.00 0.00 O ATOM 955 ND2 ASN A 60 15.664 21.414 15.957 1.00 0.00 N ATOM 0 H ASN A 60 18.762 21.181 14.155 1.00 0.00 H new ATOM 0 HA ASN A 60 17.321 21.958 12.539 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.242 23.644 14.847 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.387 23.283 13.361 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.346 20.536 16.367 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.997 22.167 16.559 1.00 0.00 H new ATOM 962 N ILE A 61 19.229 24.065 12.435 1.00 0.00 N ATOM 963 CA ILE A 61 19.797 25.319 11.859 1.00 0.00 C ATOM 964 C ILE A 61 19.265 25.506 10.431 1.00 0.00 C ATOM 965 O ILE A 61 18.643 24.623 9.875 1.00 0.00 O ATOM 966 CB ILE A 61 21.330 25.207 11.863 1.00 0.00 C ATOM 967 CG1 ILE A 61 21.837 25.357 13.301 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.956 26.301 10.993 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.296 24.905 13.383 1.00 0.00 C ATOM 0 H ILE A 61 19.894 23.299 12.539 1.00 0.00 H new ATOM 0 HA ILE A 61 19.501 26.185 12.451 1.00 0.00 H new ATOM 0 HB ILE A 61 21.613 24.235 11.459 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.749 26.395 13.621 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.223 24.762 13.977 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.041 26.203 11.010 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.599 26.200 9.968 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.674 27.280 11.381 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.653 25.013 14.407 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.371 23.860 13.081 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.905 25.519 12.720 1.00 0.00 H new ATOM 981 N GLN A 62 19.496 26.651 9.834 1.00 0.00 N ATOM 982 CA GLN A 62 18.997 26.891 8.444 1.00 0.00 C ATOM 983 C GLN A 62 20.012 27.731 7.658 1.00 0.00 C ATOM 984 O GLN A 62 20.714 28.566 8.202 1.00 0.00 O ATOM 985 CB GLN A 62 17.656 27.623 8.512 1.00 0.00 C ATOM 986 CG GLN A 62 16.699 26.833 9.408 1.00 0.00 C ATOM 987 CD GLN A 62 15.291 27.423 9.305 1.00 0.00 C ATOM 988 OE1 GLN A 62 14.582 27.173 8.350 1.00 0.00 O ATOM 989 NE2 GLN A 62 14.852 28.200 10.258 1.00 0.00 N ATOM 0 H GLN A 62 20.008 27.429 10.250 1.00 0.00 H new ATOM 0 HA GLN A 62 18.867 25.936 7.935 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.796 28.629 8.907 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.234 27.729 7.512 1.00 0.00 H new ATOM 0 HG2 GLN A 62 16.687 25.785 9.109 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.043 26.866 10.442 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.447 28.410 11.060 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.914 28.597 10.201 1.00 0.00 H new ATOM 998 N LYS A 63 20.106 27.495 6.377 1.00 0.00 N ATOM 999 CA LYS A 63 21.082 28.252 5.544 1.00 0.00 C ATOM 1000 C LYS A 63 20.899 29.760 5.737 1.00 0.00 C ATOM 1001 O LYS A 63 19.804 30.251 5.922 1.00 0.00 O ATOM 1002 CB LYS A 63 20.883 27.892 4.067 1.00 0.00 C ATOM 1003 CG LYS A 63 19.433 28.157 3.651 1.00 0.00 C ATOM 1004 CD LYS A 63 19.241 27.727 2.193 1.00 0.00 C ATOM 1005 CE LYS A 63 17.755 27.760 1.833 1.00 0.00 C ATOM 1006 NZ LYS A 63 17.047 26.652 2.532 1.00 0.00 N ATOM 0 H LYS A 63 19.547 26.808 5.871 1.00 0.00 H new ATOM 0 HA LYS A 63 22.091 27.982 5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.560 28.479 3.447 1.00 0.00 H new ATOM 0 HB3 LYS A 63 21.130 26.843 3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.750 27.607 4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.197 29.215 3.765 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.799 28.390 1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.638 26.723 2.045 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.322 28.719 2.119 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.629 27.662 0.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.147 26.457 2.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.640 25.798 2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.859 26.927 3.517 1.00 0.00 H new ATOM 1020 N GLU A 64 21.981 30.490 5.683 1.00 0.00 N ATOM 1021 CA GLU A 64 21.920 31.972 5.846 1.00 0.00 C ATOM 1022 C GLU A 64 21.555 32.342 7.290 1.00 0.00 C ATOM 1023 O GLU A 64 21.218 33.474 7.575 1.00 0.00 O ATOM 1024 CB GLU A 64 20.884 32.565 4.875 1.00 0.00 C ATOM 1025 CG GLU A 64 21.235 34.027 4.571 1.00 0.00 C ATOM 1026 CD GLU A 64 20.102 34.673 3.771 1.00 0.00 C ATOM 1027 OE1 GLU A 64 20.144 34.595 2.554 1.00 0.00 O ATOM 1028 OE2 GLU A 64 19.214 35.237 4.389 1.00 0.00 O ATOM 0 H GLU A 64 22.918 30.117 5.531 1.00 0.00 H new ATOM 0 HA GLU A 64 22.903 32.386 5.619 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.865 31.986 3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.887 32.504 5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.395 34.574 5.500 1.00 0.00 H new ATOM 0 HG3 GLU A 64 22.166 34.078 4.007 1.00 0.00 H new ATOM 1066 N LEU A 67 24.960 33.095 13.548 1.00 0.00 N ATOM 1067 CA LEU A 67 25.289 32.617 14.925 1.00 0.00 C ATOM 1068 C LEU A 67 26.028 33.733 15.673 1.00 0.00 C ATOM 1069 O LEU A 67 26.646 34.587 15.072 1.00 0.00 O ATOM 1070 CB LEU A 67 26.202 31.380 14.826 1.00 0.00 C ATOM 1071 CG LEU A 67 25.359 30.112 14.669 1.00 0.00 C ATOM 1072 CD1 LEU A 67 24.505 30.215 13.404 1.00 0.00 C ATOM 1073 CD2 LEU A 67 26.284 28.898 14.561 1.00 0.00 C ATOM 0 HA LEU A 67 24.375 32.355 15.458 1.00 0.00 H new ATOM 0 HB2 LEU A 67 26.877 31.484 13.976 1.00 0.00 H new ATOM 0 HB3 LEU A 67 26.823 31.305 15.719 1.00 0.00 H new ATOM 0 HG LEU A 67 24.708 30.000 15.536 1.00 0.00 H new ATOM 0 HD11 LEU A 67 23.906 29.311 13.295 1.00 0.00 H new ATOM 0 HD12 LEU A 67 23.846 31.080 13.479 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.154 30.328 12.535 1.00 0.00 H new ATOM 0 HD21 LEU A 67 25.686 27.994 14.449 1.00 0.00 H new ATOM 0 HD22 LEU A 67 26.935 29.012 13.694 1.00 0.00 H new ATOM 0 HD23 LEU A 67 26.891 28.822 15.463 1.00 0.00 H new ATOM 1085 N HIS A 68 25.977 33.722 16.980 1.00 0.00 N ATOM 1086 CA HIS A 68 26.690 34.772 17.771 1.00 0.00 C ATOM 1087 C HIS A 68 28.031 34.210 18.235 1.00 0.00 C ATOM 1088 O HIS A 68 28.094 33.121 18.773 1.00 0.00 O ATOM 1089 CB HIS A 68 25.868 35.140 19.003 1.00 0.00 C ATOM 1090 CG HIS A 68 24.416 35.267 18.623 1.00 0.00 C ATOM 1091 ND1 HIS A 68 23.527 34.205 18.720 1.00 0.00 N ATOM 1092 CD2 HIS A 68 23.684 36.325 18.140 1.00 0.00 C ATOM 1093 CE1 HIS A 68 22.323 34.644 18.305 1.00 0.00 C ATOM 1094 NE2 HIS A 68 22.368 35.926 17.942 1.00 0.00 N ATOM 0 H HIS A 68 25.472 33.031 17.535 1.00 0.00 H new ATOM 0 HA HIS A 68 26.836 35.656 17.150 1.00 0.00 H new ATOM 0 HB2 HIS A 68 25.987 34.378 19.773 1.00 0.00 H new ATOM 0 HB3 HIS A 68 26.227 36.079 19.425 1.00 0.00 H new ATOM 0 HD2 HIS A 68 24.072 37.314 17.945 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.433 34.034 18.271 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.597 36.495 17.592 1.00 0.00 H new ATOM 1103 N LEU A 69 29.099 34.934 18.036 1.00 0.00 N ATOM 1104 CA LEU A 69 30.438 34.429 18.470 1.00 0.00 C ATOM 1105 C LEU A 69 30.865 35.141 19.760 1.00 0.00 C ATOM 1106 O LEU A 69 31.054 36.341 19.786 1.00 0.00 O ATOM 1107 CB LEU A 69 31.462 34.699 17.354 1.00 0.00 C ATOM 1108 CG LEU A 69 32.641 33.725 17.469 1.00 0.00 C ATOM 1109 CD1 LEU A 69 33.617 33.970 16.314 1.00 0.00 C ATOM 1110 CD2 LEU A 69 33.362 33.938 18.810 1.00 0.00 C ATOM 0 H LEU A 69 29.105 35.852 17.592 1.00 0.00 H new ATOM 0 HA LEU A 69 30.385 33.357 18.662 1.00 0.00 H new ATOM 0 HB2 LEU A 69 30.986 34.591 16.380 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.821 35.726 17.421 1.00 0.00 H new ATOM 0 HG LEU A 69 32.271 32.701 17.421 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.456 33.279 16.394 1.00 0.00 H new ATOM 0 HD12 LEU A 69 33.105 33.811 15.365 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.986 34.995 16.360 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.199 33.244 18.887 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.733 34.961 18.865 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.666 33.760 19.630 1.00 0.00 H new ATOM 1122 N VAL A 70 31.019 34.400 20.833 1.00 0.00 N ATOM 1123 CA VAL A 70 31.439 35.005 22.139 1.00 0.00 C ATOM 1124 C VAL A 70 32.890 34.598 22.440 1.00 0.00 C ATOM 1125 O VAL A 70 33.326 33.527 22.074 1.00 0.00 O ATOM 1126 CB VAL A 70 30.522 34.489 23.246 1.00 0.00 C ATOM 1127 CG1 VAL A 70 30.897 35.168 24.562 1.00 0.00 C ATOM 1128 CG2 VAL A 70 29.068 34.820 22.890 1.00 0.00 C ATOM 0 H VAL A 70 30.870 33.391 20.860 1.00 0.00 H new ATOM 0 HA VAL A 70 31.370 36.092 22.085 1.00 0.00 H new ATOM 0 HB VAL A 70 30.633 33.410 23.349 1.00 0.00 H new ATOM 0 HG11 VAL A 70 30.246 34.804 25.357 1.00 0.00 H new ATOM 0 HG12 VAL A 70 31.934 34.938 24.808 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.779 36.247 24.461 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.408 34.454 23.677 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.954 35.900 22.794 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.807 34.342 21.946 1.00 0.00 H new ATOM 1138 N LEU A 71 33.653 35.452 23.080 1.00 0.00 N ATOM 1139 CA LEU A 71 35.083 35.110 23.367 1.00 0.00 C ATOM 1140 C LEU A 71 35.199 34.239 24.620 1.00 0.00 C ATOM 1141 O LEU A 71 34.953 33.058 24.570 1.00 0.00 O ATOM 1142 CB LEU A 71 35.878 36.401 23.556 1.00 0.00 C ATOM 1143 CG LEU A 71 36.181 37.004 22.185 1.00 0.00 C ATOM 1144 CD1 LEU A 71 34.874 37.205 21.409 1.00 0.00 C ATOM 1145 CD2 LEU A 71 36.886 38.347 22.372 1.00 0.00 C ATOM 0 H LEU A 71 33.350 36.367 23.415 1.00 0.00 H new ATOM 0 HA LEU A 71 35.485 34.545 22.526 1.00 0.00 H new ATOM 0 HB2 LEU A 71 35.310 37.108 24.161 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.806 36.197 24.091 1.00 0.00 H new ATOM 0 HG LEU A 71 36.827 36.330 21.622 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.094 37.635 20.432 1.00 0.00 H new ATOM 0 HD12 LEU A 71 34.377 36.244 21.279 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.221 37.879 21.964 1.00 0.00 H new ATOM 0 HD21 LEU A 71 37.105 38.782 21.397 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.240 39.022 22.934 1.00 0.00 H new ATOM 0 HD23 LEU A 71 37.817 38.196 22.919 1.00 0.00 H new