USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 564 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Set 1.2: A 14 THR OG1 : rot -160:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -0.0291 (180deg=-0.345) USER MOD Single : A 7 THR OG1 : rot 88:sc= 0.481 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.163 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 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.353 K(o=-0.35,f=-3.6!) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= -1.72 (180deg=-1.94) USER MOD Single : A 29 LYS NZ :NH3+ -125:sc= 0.546 (180deg=-0.181) USER MOD Single : A 31 GLN : amide:sc= -0.902 K(o=-0.9,f=-0.062) USER MOD Single : A 33 LYS NZ :NH3+ -157:sc= -0.114 (180deg=-0.675) USER MOD Single : A 40 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.31) USER MOD Single : A 41 GLN : amide:sc= -0.283 K(o=-0.28,f=-2.5) USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0394) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.2) 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 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= -0.04 (180deg=-0.342) USER MOD Single : A 68 HIS : no HD1:sc= -0.824 K(o=-0.82,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 25.380 27.961 3.494 1.00 0.00 N ATOM 21 CA GLN A 2 26.153 29.190 3.856 1.00 0.00 C ATOM 22 C GLN A 2 25.562 29.821 5.119 1.00 0.00 C ATOM 23 O GLN A 2 24.363 29.855 5.307 1.00 0.00 O ATOM 24 CB GLN A 2 26.066 30.196 2.705 1.00 0.00 C ATOM 25 CG GLN A 2 26.995 31.380 2.986 1.00 0.00 C ATOM 26 CD GLN A 2 26.851 32.418 1.871 1.00 0.00 C ATOM 27 OE1 GLN A 2 25.770 32.914 1.622 1.00 0.00 O ATOM 28 NE2 GLN A 2 27.903 32.769 1.183 1.00 0.00 N ATOM 0 HA GLN A 2 27.193 28.921 4.039 1.00 0.00 H new ATOM 0 HB2 GLN A 2 26.346 29.716 1.767 1.00 0.00 H new ATOM 0 HB3 GLN A 2 25.040 30.545 2.591 1.00 0.00 H new ATOM 0 HG2 GLN A 2 26.749 31.828 3.949 1.00 0.00 H new ATOM 0 HG3 GLN A 2 28.028 31.038 3.048 1.00 0.00 H new ATOM 0 HE21 GLN A 2 28.811 32.353 1.391 1.00 0.00 H new ATOM 0 HE22 GLN A 2 27.817 33.459 0.437 1.00 0.00 H new ATOM 37 N ILE A 3 26.401 30.337 5.980 1.00 0.00 N ATOM 38 CA ILE A 3 25.909 30.988 7.231 1.00 0.00 C ATOM 39 C ILE A 3 26.832 32.162 7.556 1.00 0.00 C ATOM 40 O ILE A 3 27.910 32.277 7.000 1.00 0.00 O ATOM 41 CB ILE A 3 25.922 29.980 8.383 1.00 0.00 C ATOM 42 CG1 ILE A 3 27.297 29.314 8.468 1.00 0.00 C ATOM 43 CG2 ILE A 3 24.854 28.912 8.143 1.00 0.00 C ATOM 44 CD1 ILE A 3 27.341 28.391 9.688 1.00 0.00 C ATOM 0 H ILE A 3 27.415 30.335 5.869 1.00 0.00 H new ATOM 0 HA ILE A 3 24.887 31.342 7.093 1.00 0.00 H new ATOM 0 HB ILE A 3 25.712 30.500 9.318 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.494 28.744 7.560 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.076 30.072 8.544 1.00 0.00 H new ATOM 0 HG21 ILE A 3 24.865 28.195 8.964 1.00 0.00 H new ATOM 0 HG22 ILE A 3 23.873 29.384 8.087 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.061 28.394 7.207 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.320 27.916 9.750 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.163 28.974 10.592 1.00 0.00 H new ATOM 0 HD13 ILE A 3 26.571 27.625 9.593 1.00 0.00 H new ATOM 56 N PHE A 4 26.429 33.039 8.448 1.00 0.00 N ATOM 57 CA PHE A 4 27.294 34.215 8.798 1.00 0.00 C ATOM 58 C PHE A 4 27.528 34.243 10.306 1.00 0.00 C ATOM 59 O PHE A 4 26.629 34.028 11.085 1.00 0.00 O ATOM 60 CB PHE A 4 26.591 35.505 8.374 1.00 0.00 C ATOM 61 CG PHE A 4 26.266 35.444 6.900 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.048 34.901 6.475 1.00 0.00 C ATOM 63 CD2 PHE A 4 27.176 35.944 5.962 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.746 34.844 5.109 1.00 0.00 C ATOM 65 CE2 PHE A 4 26.875 35.886 4.595 1.00 0.00 C ATOM 66 CZ PHE A 4 25.657 35.343 4.170 1.00 0.00 C ATOM 0 H PHE A 4 25.541 32.992 8.948 1.00 0.00 H new ATOM 0 HA PHE A 4 28.250 34.130 8.281 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.677 35.640 8.953 1.00 0.00 H new ATOM 0 HB3 PHE A 4 27.229 36.364 8.581 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.341 34.526 7.201 1.00 0.00 H new ATOM 0 HD2 PHE A 4 28.110 36.374 6.292 1.00 0.00 H new ATOM 0 HE1 PHE A 4 23.811 34.415 4.780 1.00 0.00 H new ATOM 0 HE2 PHE A 4 27.582 36.260 3.870 1.00 0.00 H new ATOM 0 HZ PHE A 4 25.420 35.309 3.117 1.00 0.00 H new ATOM 76 N VAL A 5 28.735 34.517 10.724 1.00 0.00 N ATOM 77 CA VAL A 5 29.032 34.576 12.187 1.00 0.00 C ATOM 78 C VAL A 5 29.207 36.037 12.591 1.00 0.00 C ATOM 79 O VAL A 5 30.055 36.741 12.070 1.00 0.00 O ATOM 80 CB VAL A 5 30.321 33.805 12.483 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.570 33.787 13.992 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.184 32.369 11.971 1.00 0.00 C ATOM 0 H VAL A 5 29.531 34.703 10.114 1.00 0.00 H new ATOM 0 HA VAL A 5 28.213 34.128 12.750 1.00 0.00 H new ATOM 0 HB VAL A 5 31.159 34.291 11.983 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.488 33.238 14.203 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.667 34.809 14.357 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.733 33.301 14.493 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.101 31.819 12.181 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.346 31.883 12.471 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.007 32.382 10.896 1.00 0.00 H new ATOM 92 N LYS A 6 28.405 36.496 13.516 1.00 0.00 N ATOM 93 CA LYS A 6 28.511 37.911 13.975 1.00 0.00 C ATOM 94 C LYS A 6 29.416 37.966 15.210 1.00 0.00 C ATOM 95 O LYS A 6 29.120 37.376 16.232 1.00 0.00 O ATOM 96 CB LYS A 6 27.115 38.423 14.341 1.00 0.00 C ATOM 97 CG LYS A 6 27.196 39.896 14.743 1.00 0.00 C ATOM 98 CD LYS A 6 25.791 40.415 15.055 1.00 0.00 C ATOM 99 CE LYS A 6 25.878 41.852 15.570 1.00 0.00 C ATOM 100 NZ LYS A 6 26.413 42.735 14.494 1.00 0.00 N ATOM 0 H LYS A 6 27.678 35.948 13.975 1.00 0.00 H new ATOM 0 HA LYS A 6 28.932 38.532 13.184 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.440 38.304 13.494 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.704 37.834 15.161 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.840 40.012 15.615 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.641 40.480 13.938 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.171 40.376 14.160 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.315 39.779 15.801 1.00 0.00 H new ATOM 0 HE2 LYS A 6 24.893 42.198 15.882 1.00 0.00 H new ATOM 0 HE3 LYS A 6 26.524 41.897 16.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 26.238 43.730 14.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.436 42.578 14.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 25.938 42.514 13.595 1.00 0.00 H new ATOM 114 N THR A 7 30.523 38.664 15.121 1.00 0.00 N ATOM 115 CA THR A 7 31.455 38.755 16.289 1.00 0.00 C ATOM 116 C THR A 7 31.128 40.009 17.107 1.00 0.00 C ATOM 117 O THR A 7 30.592 40.973 16.599 1.00 0.00 O ATOM 118 CB THR A 7 32.897 38.834 15.783 1.00 0.00 C ATOM 119 OG1 THR A 7 33.108 37.822 14.808 1.00 0.00 O ATOM 120 CG2 THR A 7 33.861 38.625 16.951 1.00 0.00 C ATOM 0 H THR A 7 30.821 39.175 14.290 1.00 0.00 H new ATOM 0 HA THR A 7 31.339 37.873 16.918 1.00 0.00 H new ATOM 0 HB THR A 7 33.075 39.813 15.339 1.00 0.00 H new ATOM 0 HG1 THR A 7 32.862 38.164 13.923 1.00 0.00 H new ATOM 0 HG21 THR A 7 34.888 38.681 16.590 1.00 0.00 H new ATOM 0 HG22 THR A 7 33.697 39.399 17.701 1.00 0.00 H new ATOM 0 HG23 THR A 7 33.686 37.646 17.396 1.00 0.00 H new ATOM 128 N LEU A 8 31.440 40.001 18.374 1.00 0.00 N ATOM 129 CA LEU A 8 31.138 41.185 19.228 1.00 0.00 C ATOM 130 C LEU A 8 31.922 42.404 18.733 1.00 0.00 C ATOM 131 O LEU A 8 31.590 43.532 19.043 1.00 0.00 O ATOM 132 CB LEU A 8 31.538 40.885 20.673 1.00 0.00 C ATOM 133 CG LEU A 8 30.987 39.517 21.093 1.00 0.00 C ATOM 134 CD1 LEU A 8 31.268 39.296 22.583 1.00 0.00 C ATOM 135 CD2 LEU A 8 29.474 39.469 20.841 1.00 0.00 C ATOM 0 H LEU A 8 31.892 39.224 18.856 1.00 0.00 H new ATOM 0 HA LEU A 8 30.070 41.398 19.174 1.00 0.00 H new ATOM 0 HB2 LEU A 8 32.624 40.895 20.769 1.00 0.00 H new ATOM 0 HB3 LEU A 8 31.153 41.661 21.335 1.00 0.00 H new ATOM 0 HG LEU A 8 31.471 38.734 20.509 1.00 0.00 H new ATOM 0 HD11 LEU A 8 30.878 38.324 22.887 1.00 0.00 H new ATOM 0 HD12 LEU A 8 32.343 39.327 22.759 1.00 0.00 H new ATOM 0 HD13 LEU A 8 30.783 40.080 23.165 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.086 38.495 21.141 1.00 0.00 H new ATOM 0 HD22 LEU A 8 28.983 40.250 21.422 1.00 0.00 H new ATOM 0 HD23 LEU A 8 29.277 39.628 19.781 1.00 0.00 H new ATOM 147 N THR A 9 32.963 42.195 17.973 1.00 0.00 N ATOM 148 CA THR A 9 33.762 43.352 17.472 1.00 0.00 C ATOM 149 C THR A 9 33.087 43.949 16.236 1.00 0.00 C ATOM 150 O THR A 9 33.546 44.925 15.677 1.00 0.00 O ATOM 151 CB THR A 9 35.174 42.885 17.111 1.00 0.00 C ATOM 152 OG1 THR A 9 35.099 41.855 16.135 1.00 0.00 O ATOM 153 CG2 THR A 9 35.871 42.355 18.364 1.00 0.00 C ATOM 0 H THR A 9 33.295 41.277 17.678 1.00 0.00 H new ATOM 0 HA THR A 9 33.821 44.111 18.252 1.00 0.00 H new ATOM 0 HB THR A 9 35.742 43.723 16.708 1.00 0.00 H new ATOM 0 HG1 THR A 9 36.004 41.558 15.903 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.877 42.022 18.108 1.00 0.00 H new ATOM 0 HG22 THR A 9 35.930 43.147 19.110 1.00 0.00 H new ATOM 0 HG23 THR A 9 35.304 41.517 18.769 1.00 0.00 H new ATOM 161 N GLY A 10 31.993 43.376 15.806 1.00 0.00 N ATOM 162 CA GLY A 10 31.282 43.917 14.610 1.00 0.00 C ATOM 163 C GLY A 10 31.849 43.286 13.335 1.00 0.00 C ATOM 164 O GLY A 10 31.538 43.707 12.238 1.00 0.00 O ATOM 0 H GLY A 10 31.561 42.556 16.232 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.215 43.708 14.686 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.393 45.001 14.570 1.00 0.00 H new ATOM 168 N LYS A 11 32.673 42.279 13.462 1.00 0.00 N ATOM 169 CA LYS A 11 33.250 41.628 12.248 1.00 0.00 C ATOM 170 C LYS A 11 32.361 40.453 11.828 1.00 0.00 C ATOM 171 O LYS A 11 32.210 39.486 12.549 1.00 0.00 O ATOM 172 CB LYS A 11 34.654 41.104 12.568 1.00 0.00 C ATOM 173 CG LYS A 11 35.543 42.247 13.079 1.00 0.00 C ATOM 174 CD LYS A 11 35.875 43.213 11.933 1.00 0.00 C ATOM 175 CE LYS A 11 37.078 44.075 12.321 1.00 0.00 C ATOM 176 NZ LYS A 11 37.372 45.046 11.228 1.00 0.00 N ATOM 0 H LYS A 11 32.971 41.880 14.352 1.00 0.00 H new ATOM 0 HA LYS A 11 33.305 42.356 11.439 1.00 0.00 H new ATOM 0 HB2 LYS A 11 34.594 40.317 13.319 1.00 0.00 H new ATOM 0 HB3 LYS A 11 35.096 40.660 11.676 1.00 0.00 H new ATOM 0 HG2 LYS A 11 35.034 42.783 13.880 1.00 0.00 H new ATOM 0 HG3 LYS A 11 36.463 41.842 13.501 1.00 0.00 H new ATOM 0 HD2 LYS A 11 36.094 42.653 11.024 1.00 0.00 H new ATOM 0 HD3 LYS A 11 35.015 43.847 11.717 1.00 0.00 H new ATOM 0 HE2 LYS A 11 36.872 44.608 13.249 1.00 0.00 H new ATOM 0 HE3 LYS A 11 37.947 43.443 12.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 38.190 45.631 11.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 37.587 44.528 10.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 36.545 45.657 11.075 1.00 0.00 H new ATOM 190 N THR A 12 31.775 40.533 10.661 1.00 0.00 N ATOM 191 CA THR A 12 30.895 39.428 10.170 1.00 0.00 C ATOM 192 C THR A 12 31.668 38.587 9.152 1.00 0.00 C ATOM 193 O THR A 12 32.283 39.111 8.245 1.00 0.00 O ATOM 194 CB THR A 12 29.657 40.024 9.497 1.00 0.00 C ATOM 195 OG1 THR A 12 28.906 40.756 10.455 1.00 0.00 O ATOM 196 CG2 THR A 12 28.794 38.900 8.920 1.00 0.00 C ATOM 0 H THR A 12 31.869 41.322 10.022 1.00 0.00 H new ATOM 0 HA THR A 12 30.588 38.803 11.009 1.00 0.00 H new ATOM 0 HB THR A 12 29.967 40.689 8.691 1.00 0.00 H new ATOM 0 HG1 THR A 12 28.113 41.140 10.025 1.00 0.00 H new ATOM 0 HG21 THR A 12 27.913 39.327 8.441 1.00 0.00 H new ATOM 0 HG22 THR A 12 29.371 38.339 8.184 1.00 0.00 H new ATOM 0 HG23 THR A 12 28.483 38.232 9.723 1.00 0.00 H new ATOM 204 N ILE A 13 31.637 37.284 9.296 1.00 0.00 N ATOM 205 CA ILE A 13 32.369 36.391 8.333 1.00 0.00 C ATOM 206 C ILE A 13 31.420 35.302 7.826 1.00 0.00 C ATOM 207 O ILE A 13 30.559 34.830 8.543 1.00 0.00 O ATOM 208 CB ILE A 13 33.569 35.748 9.032 1.00 0.00 C ATOM 209 CG1 ILE A 13 34.235 34.745 8.087 1.00 0.00 C ATOM 210 CG2 ILE A 13 33.101 35.025 10.292 1.00 0.00 C ATOM 211 CD1 ILE A 13 35.598 34.339 8.650 1.00 0.00 C ATOM 0 H ILE A 13 31.136 36.796 10.039 1.00 0.00 H new ATOM 0 HA ILE A 13 32.724 36.983 7.489 1.00 0.00 H new ATOM 0 HB ILE A 13 34.286 36.523 9.304 1.00 0.00 H new ATOM 0 HG12 ILE A 13 33.602 33.865 7.969 1.00 0.00 H new ATOM 0 HG13 ILE A 13 34.355 35.186 7.098 1.00 0.00 H new ATOM 0 HG21 ILE A 13 33.957 34.568 10.788 1.00 0.00 H new ATOM 0 HG22 ILE A 13 32.629 35.739 10.967 1.00 0.00 H new ATOM 0 HG23 ILE A 13 32.382 34.251 10.022 1.00 0.00 H new ATOM 0 HD11 ILE A 13 36.072 33.625 7.977 1.00 0.00 H new ATOM 0 HD12 ILE A 13 36.230 35.222 8.745 1.00 0.00 H new ATOM 0 HD13 ILE A 13 35.465 33.881 9.630 1.00 0.00 H new ATOM 223 N THR A 14 31.574 34.905 6.586 1.00 0.00 N ATOM 224 CA THR A 14 30.684 33.847 6.005 1.00 0.00 C ATOM 225 C THR A 14 31.428 32.511 5.957 1.00 0.00 C ATOM 226 O THR A 14 32.597 32.450 5.631 1.00 0.00 O ATOM 227 CB THR A 14 30.264 34.250 4.589 1.00 0.00 C ATOM 228 OG1 THR A 14 29.695 33.126 3.932 1.00 0.00 O ATOM 229 CG2 THR A 14 31.482 34.738 3.801 1.00 0.00 C ATOM 0 H THR A 14 32.281 35.269 5.947 1.00 0.00 H new ATOM 0 HA THR A 14 29.798 33.742 6.631 1.00 0.00 H new ATOM 0 HB THR A 14 29.531 35.055 4.646 1.00 0.00 H new ATOM 0 HG1 THR A 14 29.717 33.268 2.963 1.00 0.00 H new ATOM 0 HG21 THR A 14 31.174 35.023 2.795 1.00 0.00 H new ATOM 0 HG22 THR A 14 31.919 35.600 4.304 1.00 0.00 H new ATOM 0 HG23 THR A 14 32.221 33.939 3.742 1.00 0.00 H new ATOM 237 N LEU A 15 30.749 31.439 6.283 1.00 0.00 N ATOM 238 CA LEU A 15 31.396 30.087 6.273 1.00 0.00 C ATOM 239 C LEU A 15 30.518 29.108 5.489 1.00 0.00 C ATOM 240 O LEU A 15 29.307 29.212 5.476 1.00 0.00 O ATOM 241 CB LEU A 15 31.541 29.570 7.709 1.00 0.00 C ATOM 242 CG LEU A 15 32.582 30.400 8.482 1.00 0.00 C ATOM 243 CD1 LEU A 15 32.364 30.214 9.985 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.005 29.936 8.129 1.00 0.00 C ATOM 0 H LEU A 15 29.767 31.441 6.558 1.00 0.00 H new ATOM 0 HA LEU A 15 32.378 30.168 5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.578 29.619 8.218 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.841 28.522 7.695 1.00 0.00 H new ATOM 0 HG LEU A 15 32.466 31.449 8.209 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.100 30.801 10.535 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.361 30.548 10.251 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.475 29.160 10.241 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.730 30.532 8.683 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.121 28.885 8.394 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.174 30.062 7.060 1.00 0.00 H new ATOM 256 N GLU A 16 31.130 28.134 4.867 1.00 0.00 N ATOM 257 CA GLU A 16 30.362 27.102 4.102 1.00 0.00 C ATOM 258 C GLU A 16 30.497 25.786 4.863 1.00 0.00 C ATOM 259 O GLU A 16 31.588 25.380 5.211 1.00 0.00 O ATOM 260 CB GLU A 16 30.950 26.956 2.697 1.00 0.00 C ATOM 261 CG GLU A 16 30.823 28.286 1.949 1.00 0.00 C ATOM 262 CD GLU A 16 31.386 28.135 0.534 1.00 0.00 C ATOM 263 OE1 GLU A 16 31.445 27.012 0.059 1.00 0.00 O ATOM 264 OE2 GLU A 16 31.752 29.142 -0.048 1.00 0.00 O ATOM 0 H GLU A 16 32.142 28.007 4.856 1.00 0.00 H new ATOM 0 HA GLU A 16 29.314 27.387 4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 16 31.997 26.660 2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.428 26.169 2.153 1.00 0.00 H new ATOM 0 HG2 GLU A 16 29.778 28.591 1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.361 29.068 2.484 1.00 0.00 H new ATOM 271 N VAL A 17 29.410 25.109 5.130 1.00 0.00 N ATOM 272 CA VAL A 17 29.504 23.823 5.891 1.00 0.00 C ATOM 273 C VAL A 17 28.424 22.848 5.414 1.00 0.00 C ATOM 274 O VAL A 17 27.610 23.159 4.567 1.00 0.00 O ATOM 275 CB VAL A 17 29.331 24.096 7.399 1.00 0.00 C ATOM 276 CG1 VAL A 17 30.040 25.400 7.773 1.00 0.00 C ATOM 277 CG2 VAL A 17 27.840 24.215 7.759 1.00 0.00 C ATOM 0 H VAL A 17 28.467 25.387 4.857 1.00 0.00 H new ATOM 0 HA VAL A 17 30.484 23.379 5.715 1.00 0.00 H new ATOM 0 HB VAL A 17 29.767 23.264 7.952 1.00 0.00 H new ATOM 0 HG11 VAL A 17 29.915 25.589 8.839 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.102 25.316 7.541 1.00 0.00 H new ATOM 0 HG13 VAL A 17 29.609 26.224 7.205 1.00 0.00 H new ATOM 0 HG21 VAL A 17 27.738 24.408 8.827 1.00 0.00 H new ATOM 0 HG22 VAL A 17 27.395 25.037 7.198 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.330 23.285 7.508 1.00 0.00 H new ATOM 287 N GLU A 18 28.415 21.671 5.980 1.00 0.00 N ATOM 288 CA GLU A 18 27.398 20.639 5.619 1.00 0.00 C ATOM 289 C GLU A 18 26.466 20.448 6.821 1.00 0.00 C ATOM 290 O GLU A 18 26.858 20.669 7.947 1.00 0.00 O ATOM 291 CB GLU A 18 28.122 19.319 5.312 1.00 0.00 C ATOM 292 CG GLU A 18 28.709 19.370 3.901 1.00 0.00 C ATOM 293 CD GLU A 18 29.565 18.125 3.660 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.035 17.033 3.786 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.735 18.284 3.356 1.00 0.00 O ATOM 0 H GLU A 18 29.083 21.375 6.692 1.00 0.00 H new ATOM 0 HA GLU A 18 26.823 20.948 4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.915 19.150 6.040 1.00 0.00 H new ATOM 0 HB3 GLU A 18 27.427 18.483 5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.908 19.422 3.164 1.00 0.00 H new ATOM 0 HG3 GLU A 18 29.313 20.269 3.779 1.00 0.00 H new ATOM 302 N PRO A 19 25.246 20.032 6.603 1.00 0.00 N ATOM 303 CA PRO A 19 24.275 19.809 7.716 1.00 0.00 C ATOM 304 C PRO A 19 24.736 18.661 8.616 1.00 0.00 C ATOM 305 O PRO A 19 24.520 18.661 9.815 1.00 0.00 O ATOM 306 CB PRO A 19 22.973 19.445 6.983 1.00 0.00 C ATOM 307 CG PRO A 19 23.436 18.881 5.686 1.00 0.00 C ATOM 308 CD PRO A 19 24.647 19.719 5.297 1.00 0.00 C ATOM 0 HA PRO A 19 24.167 20.674 8.370 1.00 0.00 H new ATOM 0 HB2 PRO A 19 22.387 18.720 7.547 1.00 0.00 H new ATOM 0 HB3 PRO A 19 22.340 20.320 6.835 1.00 0.00 H new ATOM 0 HG2 PRO A 19 23.701 17.828 5.786 1.00 0.00 H new ATOM 0 HG3 PRO A 19 22.655 18.942 4.928 1.00 0.00 H new ATOM 0 HD2 PRO A 19 25.335 19.167 4.656 1.00 0.00 H new ATOM 0 HD3 PRO A 19 24.360 20.620 4.755 1.00 0.00 H new ATOM 316 N SER A 20 25.372 17.680 8.037 1.00 0.00 N ATOM 317 CA SER A 20 25.859 16.522 8.833 1.00 0.00 C ATOM 318 C SER A 20 27.225 16.856 9.433 1.00 0.00 C ATOM 319 O SER A 20 27.857 16.026 10.056 1.00 0.00 O ATOM 320 CB SER A 20 25.993 15.301 7.923 1.00 0.00 C ATOM 321 OG SER A 20 24.723 14.990 7.364 1.00 0.00 O ATOM 0 H SER A 20 25.576 17.632 7.039 1.00 0.00 H new ATOM 0 HA SER A 20 25.151 16.307 9.633 1.00 0.00 H new ATOM 0 HB2 SER A 20 26.713 15.502 7.130 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.372 14.450 8.490 1.00 0.00 H new ATOM 0 HG SER A 20 24.806 14.208 6.779 1.00 0.00 H new ATOM 327 N ASP A 21 27.693 18.066 9.256 1.00 0.00 N ATOM 328 CA ASP A 21 29.021 18.429 9.827 1.00 0.00 C ATOM 329 C ASP A 21 28.916 18.463 11.358 1.00 0.00 C ATOM 330 O ASP A 21 27.895 18.823 11.910 1.00 0.00 O ATOM 331 CB ASP A 21 29.462 19.810 9.289 1.00 0.00 C ATOM 332 CG ASP A 21 30.992 19.890 9.229 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.635 19.027 9.801 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.491 20.814 8.608 1.00 0.00 O ATOM 0 H ASP A 21 27.217 18.810 8.746 1.00 0.00 H new ATOM 0 HA ASP A 21 29.765 17.688 9.533 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.043 19.973 8.296 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.074 20.600 9.932 1.00 0.00 H new ATOM 339 N THR A 22 29.960 18.079 12.049 1.00 0.00 N ATOM 340 CA THR A 22 29.920 18.082 13.542 1.00 0.00 C ATOM 341 C THR A 22 30.444 19.424 14.059 1.00 0.00 C ATOM 342 O THR A 22 31.102 20.155 13.352 1.00 0.00 O ATOM 343 CB THR A 22 30.803 16.940 14.073 1.00 0.00 C ATOM 344 OG1 THR A 22 30.717 15.832 13.188 1.00 0.00 O ATOM 345 CG2 THR A 22 30.330 16.518 15.465 1.00 0.00 C ATOM 0 H THR A 22 30.840 17.763 11.642 1.00 0.00 H new ATOM 0 HA THR A 22 28.896 17.938 13.886 1.00 0.00 H new ATOM 0 HB THR A 22 31.836 17.283 14.137 1.00 0.00 H new ATOM 0 HG1 THR A 22 31.280 15.102 13.522 1.00 0.00 H new ATOM 0 HG21 THR A 22 30.960 15.709 15.834 1.00 0.00 H new ATOM 0 HG22 THR A 22 30.395 17.368 16.145 1.00 0.00 H new ATOM 0 HG23 THR A 22 29.296 16.176 15.410 1.00 0.00 H new ATOM 353 N ILE A 23 30.168 19.747 15.290 1.00 0.00 N ATOM 354 CA ILE A 23 30.665 21.037 15.841 1.00 0.00 C ATOM 355 C ILE A 23 32.194 20.995 15.885 1.00 0.00 C ATOM 356 O ILE A 23 32.862 21.958 15.572 1.00 0.00 O ATOM 357 CB ILE A 23 30.121 21.246 17.261 1.00 0.00 C ATOM 358 CG1 ILE A 23 28.581 21.186 17.270 1.00 0.00 C ATOM 359 CG2 ILE A 23 30.579 22.610 17.784 1.00 0.00 C ATOM 360 CD1 ILE A 23 28.001 22.149 16.230 1.00 0.00 C ATOM 0 H ILE A 23 29.622 19.177 15.936 1.00 0.00 H new ATOM 0 HA ILE A 23 30.328 21.858 15.209 1.00 0.00 H new ATOM 0 HB ILE A 23 30.504 20.452 17.902 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.249 20.170 17.058 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.207 21.443 18.261 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.194 22.761 18.792 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.668 22.646 17.802 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.201 23.396 17.130 1.00 0.00 H new ATOM 0 HD11 ILE A 23 26.913 22.094 16.250 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.317 23.166 16.460 1.00 0.00 H new ATOM 0 HD13 ILE A 23 28.360 21.873 15.239 1.00 0.00 H new ATOM 372 N GLU A 24 32.754 19.880 16.271 1.00 0.00 N ATOM 373 CA GLU A 24 34.238 19.766 16.334 1.00 0.00 C ATOM 374 C GLU A 24 34.827 19.953 14.936 1.00 0.00 C ATOM 375 O GLU A 24 35.807 20.643 14.746 1.00 0.00 O ATOM 376 CB GLU A 24 34.613 18.376 16.854 1.00 0.00 C ATOM 377 CG GLU A 24 36.081 18.366 17.285 1.00 0.00 C ATOM 378 CD GLU A 24 36.457 16.970 17.785 1.00 0.00 C ATOM 379 OE1 GLU A 24 35.560 16.240 18.173 1.00 0.00 O ATOM 380 OE2 GLU A 24 37.635 16.655 17.772 1.00 0.00 O ATOM 0 H GLU A 24 32.244 19.040 16.546 1.00 0.00 H new ATOM 0 HA GLU A 24 34.633 20.532 17.001 1.00 0.00 H new ATOM 0 HB2 GLU A 24 33.975 18.108 17.696 1.00 0.00 H new ATOM 0 HB3 GLU A 24 34.447 17.629 16.077 1.00 0.00 H new ATOM 0 HG2 GLU A 24 36.719 18.648 16.447 1.00 0.00 H new ATOM 0 HG3 GLU A 24 36.245 19.102 18.072 1.00 0.00 H new ATOM 387 N ASN A 25 34.226 19.339 13.957 1.00 0.00 N ATOM 388 CA ASN A 25 34.738 19.465 12.559 1.00 0.00 C ATOM 389 C ASN A 25 34.564 20.903 12.062 1.00 0.00 C ATOM 390 O ASN A 25 35.432 21.461 11.413 1.00 0.00 O ATOM 391 CB ASN A 25 33.949 18.523 11.643 1.00 0.00 C ATOM 392 CG ASN A 25 34.265 17.071 12.002 1.00 0.00 C ATOM 393 OD1 ASN A 25 34.492 16.753 13.152 1.00 0.00 O ATOM 394 ND2 ASN A 25 34.287 16.169 11.058 1.00 0.00 N ATOM 0 H ASN A 25 33.398 18.752 14.062 1.00 0.00 H new ATOM 0 HA ASN A 25 35.796 19.203 12.544 1.00 0.00 H new ATOM 0 HB2 ASN A 25 32.880 18.709 11.748 1.00 0.00 H new ATOM 0 HB3 ASN A 25 34.205 18.714 10.601 1.00 0.00 H new ATOM 0 HD21 ASN A 25 34.495 15.197 11.286 1.00 0.00 H new ATOM 0 HD22 ASN A 25 34.096 16.437 10.092 1.00 0.00 H new ATOM 401 N VAL A 26 33.448 21.510 12.355 1.00 0.00 N ATOM 402 CA VAL A 26 33.221 22.906 11.890 1.00 0.00 C ATOM 403 C VAL A 26 34.131 23.856 12.668 1.00 0.00 C ATOM 404 O VAL A 26 34.537 24.886 12.167 1.00 0.00 O ATOM 405 CB VAL A 26 31.755 23.284 12.104 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.533 24.739 11.696 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.872 22.386 11.238 1.00 0.00 C ATOM 0 H VAL A 26 32.685 21.101 12.895 1.00 0.00 H new ATOM 0 HA VAL A 26 33.454 22.982 10.828 1.00 0.00 H new ATOM 0 HB VAL A 26 31.500 23.157 13.156 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.487 25.005 11.850 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.165 25.387 12.303 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.788 24.865 10.644 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.825 22.652 11.387 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.134 22.521 10.189 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.025 21.344 11.520 1.00 0.00 H new ATOM 417 N LYS A 27 34.469 23.514 13.885 1.00 0.00 N ATOM 418 CA LYS A 27 35.365 24.386 14.690 1.00 0.00 C ATOM 419 C LYS A 27 36.742 24.356 14.041 1.00 0.00 C ATOM 420 O LYS A 27 37.457 25.338 14.004 1.00 0.00 O ATOM 421 CB LYS A 27 35.451 23.832 16.120 1.00 0.00 C ATOM 422 CG LYS A 27 36.083 24.874 17.063 1.00 0.00 C ATOM 423 CD LYS A 27 35.005 25.858 17.574 1.00 0.00 C ATOM 424 CE LYS A 27 34.421 25.365 18.906 1.00 0.00 C ATOM 425 NZ LYS A 27 34.094 23.914 18.808 1.00 0.00 N ATOM 0 H LYS A 27 34.159 22.663 14.355 1.00 0.00 H new ATOM 0 HA LYS A 27 34.987 25.408 14.729 1.00 0.00 H new ATOM 0 HB2 LYS A 27 34.455 23.568 16.475 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.045 22.918 16.128 1.00 0.00 H new ATOM 0 HG2 LYS A 27 36.556 24.372 17.907 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.866 25.422 16.539 1.00 0.00 H new ATOM 0 HD2 LYS A 27 35.440 26.849 17.705 1.00 0.00 H new ATOM 0 HD3 LYS A 27 34.210 25.954 16.834 1.00 0.00 H new ATOM 0 HE2 LYS A 27 35.136 25.532 19.711 1.00 0.00 H new ATOM 0 HE3 LYS A 27 33.524 25.933 19.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.622 23.605 19.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 33.462 23.755 17.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 34.970 23.369 18.677 1.00 0.00 H new ATOM 439 N ALA A 28 37.098 23.225 13.508 1.00 0.00 N ATOM 440 CA ALA A 28 38.406 23.089 12.827 1.00 0.00 C ATOM 441 C ALA A 28 38.427 24.032 11.625 1.00 0.00 C ATOM 442 O ALA A 28 39.370 24.768 11.407 1.00 0.00 O ATOM 443 CB ALA A 28 38.550 21.644 12.359 1.00 0.00 C ATOM 0 H ALA A 28 36.529 22.379 13.517 1.00 0.00 H new ATOM 0 HA ALA A 28 39.227 23.341 13.498 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.508 21.519 11.853 1.00 0.00 H new ATOM 0 HB2 ALA A 28 38.504 20.977 13.220 1.00 0.00 H new ATOM 0 HB3 ALA A 28 37.741 21.403 11.669 1.00 0.00 H new ATOM 449 N LYS A 29 37.381 24.004 10.846 1.00 0.00 N ATOM 450 CA LYS A 29 37.314 24.891 9.652 1.00 0.00 C ATOM 451 C LYS A 29 37.509 26.344 10.092 1.00 0.00 C ATOM 452 O LYS A 29 38.237 27.099 9.477 1.00 0.00 O ATOM 453 CB LYS A 29 35.944 24.750 8.988 1.00 0.00 C ATOM 454 CG LYS A 29 35.779 23.332 8.439 1.00 0.00 C ATOM 455 CD LYS A 29 34.393 23.194 7.809 1.00 0.00 C ATOM 456 CE LYS A 29 34.193 21.760 7.318 1.00 0.00 C ATOM 457 NZ LYS A 29 34.112 20.842 8.488 1.00 0.00 N ATOM 0 H LYS A 29 36.568 23.404 10.986 1.00 0.00 H new ATOM 0 HA LYS A 29 38.095 24.609 8.945 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.156 24.965 9.710 1.00 0.00 H new ATOM 0 HB3 LYS A 29 35.844 25.476 8.181 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.551 23.124 7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.902 22.603 9.240 1.00 0.00 H new ATOM 0 HD2 LYS A 29 33.624 23.450 8.538 1.00 0.00 H new ATOM 0 HD3 LYS A 29 34.289 23.891 6.978 1.00 0.00 H new ATOM 0 HE2 LYS A 29 33.281 21.691 6.724 1.00 0.00 H new ATOM 0 HE3 LYS A 29 35.019 21.468 6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 34.822 20.089 8.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 34.294 21.376 9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 33.163 20.419 8.533 1.00 0.00 H new ATOM 471 N ILE A 30 36.863 26.741 11.153 1.00 0.00 N ATOM 472 CA ILE A 30 37.006 28.145 11.634 1.00 0.00 C ATOM 473 C ILE A 30 38.439 28.385 12.106 1.00 0.00 C ATOM 474 O ILE A 30 39.004 29.437 11.890 1.00 0.00 O ATOM 475 CB ILE A 30 36.041 28.386 12.797 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.603 28.273 12.290 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.272 29.791 13.369 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.642 28.224 13.479 1.00 0.00 C ATOM 0 H ILE A 30 36.241 26.154 11.709 1.00 0.00 H new ATOM 0 HA ILE A 30 36.775 28.830 10.818 1.00 0.00 H new ATOM 0 HB ILE A 30 36.214 27.644 13.577 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.364 29.123 11.651 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.491 27.376 11.681 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.585 29.964 14.198 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.299 29.875 13.725 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.096 30.534 12.591 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.617 28.143 13.116 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.876 27.359 14.100 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.747 29.134 14.069 1.00 0.00 H new ATOM 490 N GLN A 31 39.026 27.422 12.760 1.00 0.00 N ATOM 491 CA GLN A 31 40.418 27.596 13.258 1.00 0.00 C ATOM 492 C GLN A 31 41.361 27.871 12.085 1.00 0.00 C ATOM 493 O GLN A 31 42.200 28.743 12.143 1.00 0.00 O ATOM 494 CB GLN A 31 40.858 26.311 13.966 1.00 0.00 C ATOM 495 CG GLN A 31 42.264 26.494 14.544 1.00 0.00 C ATOM 496 CD GLN A 31 42.637 25.263 15.374 1.00 0.00 C ATOM 497 OE1 GLN A 31 43.440 25.349 16.282 1.00 0.00 O ATOM 498 NE2 GLN A 31 42.083 24.113 15.100 1.00 0.00 N ATOM 0 H GLN A 31 38.600 26.520 12.971 1.00 0.00 H new ATOM 0 HA GLN A 31 40.452 28.437 13.950 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.156 26.065 14.763 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.849 25.477 13.265 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.985 26.635 13.739 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.300 27.389 15.165 1.00 0.00 H new ATOM 0 HE21 GLN A 31 41.409 24.040 14.338 1.00 0.00 H new ATOM 0 HE22 GLN A 31 42.324 23.287 15.648 1.00 0.00 H new ATOM 507 N ASP A 32 41.238 27.120 11.030 1.00 0.00 N ATOM 508 CA ASP A 32 42.139 27.315 9.858 1.00 0.00 C ATOM 509 C ASP A 32 41.852 28.646 9.154 1.00 0.00 C ATOM 510 O ASP A 32 42.730 29.234 8.554 1.00 0.00 O ATOM 511 CB ASP A 32 41.929 26.168 8.868 1.00 0.00 C ATOM 512 CG ASP A 32 42.999 26.234 7.774 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.138 27.286 7.172 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.660 25.232 7.558 1.00 0.00 O ATOM 0 H ASP A 32 40.549 26.375 10.926 1.00 0.00 H new ATOM 0 HA ASP A 32 43.169 27.329 10.214 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.983 25.211 9.387 1.00 0.00 H new ATOM 0 HB3 ASP A 32 40.936 26.234 8.424 1.00 0.00 H new ATOM 519 N LYS A 33 40.631 29.118 9.187 1.00 0.00 N ATOM 520 CA LYS A 33 40.305 30.399 8.480 1.00 0.00 C ATOM 521 C LYS A 33 40.540 31.616 9.386 1.00 0.00 C ATOM 522 O LYS A 33 41.123 32.598 8.969 1.00 0.00 O ATOM 523 CB LYS A 33 38.834 30.371 8.045 1.00 0.00 C ATOM 524 CG LYS A 33 38.604 29.225 7.039 1.00 0.00 C ATOM 525 CD LYS A 33 38.926 29.694 5.614 1.00 0.00 C ATOM 526 CE LYS A 33 38.734 28.531 4.638 1.00 0.00 C ATOM 527 NZ LYS A 33 39.676 27.429 4.988 1.00 0.00 N ATOM 0 H LYS A 33 39.848 28.676 9.669 1.00 0.00 H new ATOM 0 HA LYS A 33 40.960 30.488 7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.191 30.237 8.915 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.562 31.324 7.592 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.232 28.373 7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 33 37.569 28.887 7.093 1.00 0.00 H new ATOM 0 HD2 LYS A 33 38.277 30.525 5.338 1.00 0.00 H new ATOM 0 HD3 LYS A 33 39.952 30.060 5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.706 28.172 4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 33 38.913 28.866 3.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 39.838 26.832 4.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 40.580 27.833 5.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 39.267 26.852 5.751 1.00 0.00 H new ATOM 541 N GLU A 34 40.079 31.584 10.610 1.00 0.00 N ATOM 542 CA GLU A 34 40.269 32.766 11.512 1.00 0.00 C ATOM 543 C GLU A 34 41.594 32.640 12.269 1.00 0.00 C ATOM 544 O GLU A 34 42.143 33.614 12.750 1.00 0.00 O ATOM 545 CB GLU A 34 39.099 32.843 12.498 1.00 0.00 C ATOM 546 CG GLU A 34 37.824 33.208 11.732 1.00 0.00 C ATOM 547 CD GLU A 34 36.649 33.312 12.707 1.00 0.00 C ATOM 548 OE1 GLU A 34 36.657 32.596 13.693 1.00 0.00 O ATOM 549 OE2 GLU A 34 35.760 34.108 12.448 1.00 0.00 O ATOM 0 H GLU A 34 39.581 30.796 11.025 1.00 0.00 H new ATOM 0 HA GLU A 34 40.297 33.678 10.916 1.00 0.00 H new ATOM 0 HB2 GLU A 34 38.972 31.887 13.007 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.303 33.589 13.267 1.00 0.00 H new ATOM 0 HG2 GLU A 34 37.960 34.155 11.209 1.00 0.00 H new ATOM 0 HG3 GLU A 34 37.615 32.453 10.974 1.00 0.00 H new ATOM 556 N GLY A 35 42.125 31.455 12.354 1.00 0.00 N ATOM 557 CA GLY A 35 43.432 31.264 13.047 1.00 0.00 C ATOM 558 C GLY A 35 43.283 31.441 14.564 1.00 0.00 C ATOM 559 O GLY A 35 44.256 31.404 15.290 1.00 0.00 O ATOM 0 H GLY A 35 41.710 30.605 11.972 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.820 30.269 12.830 1.00 0.00 H new ATOM 0 HA3 GLY A 35 44.159 31.980 12.664 1.00 0.00 H new ATOM 563 N ILE A 36 42.086 31.630 15.060 1.00 0.00 N ATOM 564 CA ILE A 36 41.916 31.803 16.537 1.00 0.00 C ATOM 565 C ILE A 36 41.697 30.421 17.191 1.00 0.00 C ATOM 566 O ILE A 36 40.771 29.722 16.829 1.00 0.00 O ATOM 567 CB ILE A 36 40.697 32.686 16.805 1.00 0.00 C ATOM 568 CG1 ILE A 36 40.816 33.973 15.986 1.00 0.00 C ATOM 569 CG2 ILE A 36 40.646 33.036 18.294 1.00 0.00 C ATOM 570 CD1 ILE A 36 39.578 34.842 16.211 1.00 0.00 C ATOM 0 H ILE A 36 41.226 31.672 14.513 1.00 0.00 H new ATOM 0 HA ILE A 36 42.807 32.270 16.956 1.00 0.00 H new ATOM 0 HB ILE A 36 39.788 32.155 16.522 1.00 0.00 H new ATOM 0 HG12 ILE A 36 41.713 34.519 16.277 1.00 0.00 H new ATOM 0 HG13 ILE A 36 40.917 33.734 14.927 1.00 0.00 H new ATOM 0 HG21 ILE A 36 39.778 33.666 18.490 1.00 0.00 H new ATOM 0 HG22 ILE A 36 40.570 32.120 18.881 1.00 0.00 H new ATOM 0 HG23 ILE A 36 41.553 33.571 18.573 1.00 0.00 H new ATOM 0 HD11 ILE A 36 39.665 35.758 15.627 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.688 34.296 15.898 1.00 0.00 H new ATOM 0 HD13 ILE A 36 39.497 35.093 17.269 1.00 0.00 H new ATOM 582 N PRO A 37 42.519 30.010 18.144 1.00 0.00 N ATOM 583 CA PRO A 37 42.347 28.682 18.809 1.00 0.00 C ATOM 584 C PRO A 37 40.892 28.434 19.264 1.00 0.00 C ATOM 585 O PRO A 37 40.172 29.359 19.593 1.00 0.00 O ATOM 586 CB PRO A 37 43.282 28.759 20.027 1.00 0.00 C ATOM 587 CG PRO A 37 44.353 29.721 19.629 1.00 0.00 C ATOM 588 CD PRO A 37 43.696 30.732 18.682 1.00 0.00 C ATOM 0 HA PRO A 37 42.578 27.861 18.131 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.749 29.105 20.913 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.699 27.781 20.268 1.00 0.00 H new ATOM 0 HG2 PRO A 37 44.770 30.222 20.503 1.00 0.00 H new ATOM 0 HG3 PRO A 37 45.176 29.204 19.135 1.00 0.00 H new ATOM 0 HD2 PRO A 37 43.401 31.639 19.210 1.00 0.00 H new ATOM 0 HD3 PRO A 37 44.377 31.034 17.886 1.00 0.00 H new ATOM 596 N PRO A 38 40.460 27.195 19.283 1.00 0.00 N ATOM 597 CA PRO A 38 39.071 26.831 19.695 1.00 0.00 C ATOM 598 C PRO A 38 38.840 27.027 21.197 1.00 0.00 C ATOM 599 O PRO A 38 37.721 27.120 21.655 1.00 0.00 O ATOM 600 CB PRO A 38 38.966 25.353 19.311 1.00 0.00 C ATOM 601 CG PRO A 38 40.357 24.863 19.454 1.00 0.00 C ATOM 602 CD PRO A 38 41.236 25.994 18.933 1.00 0.00 C ATOM 0 HA PRO A 38 38.320 27.459 19.216 1.00 0.00 H new ATOM 0 HB2 PRO A 38 38.281 24.815 19.966 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.598 25.227 18.293 1.00 0.00 H new ATOM 0 HG2 PRO A 38 40.588 24.632 20.494 1.00 0.00 H new ATOM 0 HG3 PRO A 38 40.513 23.948 18.882 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.218 25.994 19.406 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.400 25.917 17.858 1.00 0.00 H new ATOM 610 N ASP A 39 39.892 27.085 21.962 1.00 0.00 N ATOM 611 CA ASP A 39 39.730 27.271 23.428 1.00 0.00 C ATOM 612 C ASP A 39 39.383 28.732 23.724 1.00 0.00 C ATOM 613 O ASP A 39 39.156 29.101 24.860 1.00 0.00 O ATOM 614 CB ASP A 39 41.037 26.909 24.134 1.00 0.00 C ATOM 615 CG ASP A 39 41.367 25.437 23.879 1.00 0.00 C ATOM 616 OD1 ASP A 39 40.480 24.715 23.459 1.00 0.00 O ATOM 617 OD2 ASP A 39 42.505 25.058 24.109 1.00 0.00 O ATOM 0 H ASP A 39 40.856 27.012 21.636 1.00 0.00 H new ATOM 0 HA ASP A 39 38.928 26.626 23.788 1.00 0.00 H new ATOM 0 HB2 ASP A 39 41.846 27.542 23.770 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.946 27.092 25.205 1.00 0.00 H new ATOM 622 N GLN A 40 39.339 29.573 22.714 1.00 0.00 N ATOM 623 CA GLN A 40 39.015 31.019 22.938 1.00 0.00 C ATOM 624 C GLN A 40 37.652 31.356 22.334 1.00 0.00 C ATOM 625 O GLN A 40 37.006 32.304 22.739 1.00 0.00 O ATOM 626 CB GLN A 40 40.074 31.879 22.251 1.00 0.00 C ATOM 627 CG GLN A 40 41.466 31.485 22.745 1.00 0.00 C ATOM 628 CD GLN A 40 41.565 31.737 24.250 1.00 0.00 C ATOM 629 OE1 GLN A 40 41.237 32.807 24.721 1.00 0.00 O ATOM 630 NE2 GLN A 40 42.012 30.790 25.028 1.00 0.00 N ATOM 0 H GLN A 40 39.514 29.318 21.742 1.00 0.00 H new ATOM 0 HA GLN A 40 38.996 31.214 24.010 1.00 0.00 H new ATOM 0 HB2 GLN A 40 40.013 31.752 21.170 1.00 0.00 H new ATOM 0 HB3 GLN A 40 39.890 32.933 22.459 1.00 0.00 H new ATOM 0 HG2 GLN A 40 41.656 30.434 22.529 1.00 0.00 H new ATOM 0 HG3 GLN A 40 42.227 32.061 22.218 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.287 29.892 24.631 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.086 30.948 26.033 1.00 0.00 H new ATOM 639 N GLN A 41 37.219 30.618 21.347 1.00 0.00 N ATOM 640 CA GLN A 41 35.909 30.925 20.693 1.00 0.00 C ATOM 641 C GLN A 41 34.781 30.053 21.247 1.00 0.00 C ATOM 642 O GLN A 41 34.907 28.851 21.387 1.00 0.00 O ATOM 643 CB GLN A 41 36.030 30.660 19.191 1.00 0.00 C ATOM 644 CG GLN A 41 36.920 31.719 18.542 1.00 0.00 C ATOM 645 CD GLN A 41 37.067 31.404 17.054 1.00 0.00 C ATOM 646 OE1 GLN A 41 37.054 30.252 16.662 1.00 0.00 O ATOM 647 NE2 GLN A 41 37.204 32.380 16.206 1.00 0.00 N ATOM 0 H GLN A 41 37.715 29.814 20.963 1.00 0.00 H new ATOM 0 HA GLN A 41 35.670 31.969 20.894 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.449 29.668 19.021 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.042 30.672 18.731 1.00 0.00 H new ATOM 0 HG2 GLN A 41 36.485 32.709 18.676 1.00 0.00 H new ATOM 0 HG3 GLN A 41 37.899 31.733 19.022 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.215 33.345 16.536 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.301 32.181 15.210 1.00 0.00 H new ATOM 656 N ARG A 42 33.648 30.660 21.510 1.00 0.00 N ATOM 657 CA ARG A 42 32.461 29.901 21.992 1.00 0.00 C ATOM 658 C ARG A 42 31.320 30.158 21.005 1.00 0.00 C ATOM 659 O ARG A 42 30.866 31.276 20.848 1.00 0.00 O ATOM 660 CB ARG A 42 32.033 30.398 23.350 1.00 0.00 C ATOM 661 CG ARG A 42 32.947 29.845 24.433 1.00 0.00 C ATOM 662 CD ARG A 42 32.448 30.438 25.748 1.00 0.00 C ATOM 663 NE ARG A 42 32.634 29.528 26.927 1.00 0.00 N ATOM 664 CZ ARG A 42 31.763 29.611 27.912 1.00 0.00 C ATOM 665 NH1 ARG A 42 32.125 29.414 29.151 1.00 0.00 N ATOM 666 NH2 ARG A 42 30.493 29.766 27.632 1.00 0.00 N ATOM 0 H ARG A 42 33.498 31.664 21.408 1.00 0.00 H new ATOM 0 HA ARG A 42 32.705 28.841 22.064 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.056 31.488 23.369 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.004 30.097 23.546 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.909 28.756 24.457 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.984 30.124 24.248 1.00 0.00 H new ATOM 0 HD2 ARG A 42 32.972 31.375 25.937 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.390 30.679 25.649 1.00 0.00 H new ATOM 0 HE ARG A 42 33.410 28.867 26.964 1.00 0.00 H new ATOM 0 HH11 ARG A 42 33.096 29.192 29.369 1.00 0.00 H new ATOM 0 HH12 ARG A 42 31.437 29.482 29.901 1.00 0.00 H new ATOM 0 HH21 ARG A 42 30.188 29.821 26.660 1.00 0.00 H new ATOM 0 HH22 ARG A 42 29.809 29.832 28.386 1.00 0.00 H new ATOM 680 N LEU A 43 30.865 29.145 20.328 1.00 0.00 N ATOM 681 CA LEU A 43 29.775 29.346 19.334 1.00 0.00 C ATOM 682 C LEU A 43 28.417 29.006 19.949 1.00 0.00 C ATOM 683 O LEU A 43 28.212 27.923 20.469 1.00 0.00 O ATOM 684 CB LEU A 43 30.045 28.436 18.142 1.00 0.00 C ATOM 685 CG LEU A 43 31.363 28.862 17.460 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.948 27.678 16.697 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.103 30.013 16.477 1.00 0.00 C ATOM 0 H LEU A 43 31.200 28.186 20.419 1.00 0.00 H new ATOM 0 HA LEU A 43 29.752 30.389 19.020 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.111 27.399 18.470 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.220 28.494 17.432 1.00 0.00 H new ATOM 0 HG LEU A 43 32.064 29.194 18.226 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.878 27.979 16.216 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.146 26.860 17.390 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.238 27.347 15.939 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.040 30.305 16.002 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.396 29.687 15.714 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.689 30.865 17.016 1.00 0.00 H new ATOM 699 N ILE A 44 27.488 29.930 19.888 1.00 0.00 N ATOM 700 CA ILE A 44 26.126 29.689 20.456 1.00 0.00 C ATOM 701 C ILE A 44 25.086 29.860 19.348 1.00 0.00 C ATOM 702 O ILE A 44 25.194 30.738 18.513 1.00 0.00 O ATOM 703 CB ILE A 44 25.850 30.700 21.574 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.028 30.704 22.557 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.566 30.307 22.310 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.674 31.531 23.799 1.00 0.00 C ATOM 0 H ILE A 44 27.618 30.849 19.465 1.00 0.00 H new ATOM 0 HA ILE A 44 26.071 28.679 20.862 1.00 0.00 H new ATOM 0 HB ILE A 44 25.731 31.696 21.147 1.00 0.00 H new ATOM 0 HG12 ILE A 44 27.272 29.682 22.848 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.913 31.118 22.075 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.368 31.025 23.106 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.731 30.303 21.609 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.683 29.312 22.740 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.516 31.528 24.491 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.452 32.556 23.502 1.00 0.00 H new ATOM 0 HD13 ILE A 44 25.801 31.098 24.288 1.00 0.00 H new ATOM 718 N PHE A 45 24.079 29.032 19.341 1.00 0.00 N ATOM 719 CA PHE A 45 23.023 29.140 18.292 1.00 0.00 C ATOM 720 C PHE A 45 21.696 28.647 18.866 1.00 0.00 C ATOM 721 O PHE A 45 21.656 27.731 19.662 1.00 0.00 O ATOM 722 CB PHE A 45 23.403 28.287 17.077 1.00 0.00 C ATOM 723 CG PHE A 45 22.266 28.292 16.081 1.00 0.00 C ATOM 724 CD1 PHE A 45 22.065 29.403 15.253 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.402 27.192 15.995 1.00 0.00 C ATOM 726 CE1 PHE A 45 21.010 29.412 14.334 1.00 0.00 C ATOM 727 CE2 PHE A 45 20.348 27.201 15.076 1.00 0.00 C ATOM 728 CZ PHE A 45 20.147 28.313 14.248 1.00 0.00 C ATOM 0 H PHE A 45 23.940 28.282 20.018 1.00 0.00 H new ATOM 0 HA PHE A 45 22.928 30.180 17.980 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.308 28.679 16.613 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.621 27.266 17.390 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.725 30.255 15.324 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.550 26.337 16.638 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.861 30.267 13.691 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.688 26.349 15.004 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.328 28.322 13.544 1.00 0.00 H new ATOM 738 N ALA A 46 20.617 29.256 18.468 1.00 0.00 N ATOM 739 CA ALA A 46 19.283 28.839 18.985 1.00 0.00 C ATOM 740 C ALA A 46 19.245 29.041 20.501 1.00 0.00 C ATOM 741 O ALA A 46 18.347 28.579 21.175 1.00 0.00 O ATOM 742 CB ALA A 46 19.031 27.366 18.647 1.00 0.00 C ATOM 0 H ALA A 46 20.600 30.029 17.803 1.00 0.00 H new ATOM 0 HA ALA A 46 18.506 29.444 18.519 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.054 27.067 19.028 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.056 27.231 17.566 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.804 26.750 19.107 1.00 0.00 H new ATOM 748 N GLY A 47 20.211 29.734 21.038 1.00 0.00 N ATOM 749 CA GLY A 47 20.230 29.980 22.508 1.00 0.00 C ATOM 750 C GLY A 47 20.901 28.812 23.236 1.00 0.00 C ATOM 751 O GLY A 47 20.799 28.697 24.441 1.00 0.00 O ATOM 0 H GLY A 47 20.990 30.142 20.521 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.765 30.905 22.721 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.212 30.109 22.875 1.00 0.00 H new ATOM 755 N LYS A 48 21.602 27.950 22.526 1.00 0.00 N ATOM 756 CA LYS A 48 22.297 26.797 23.194 1.00 0.00 C ATOM 757 C LYS A 48 23.783 26.856 22.883 1.00 0.00 C ATOM 758 O LYS A 48 24.201 27.285 21.826 1.00 0.00 O ATOM 759 CB LYS A 48 21.753 25.443 22.683 1.00 0.00 C ATOM 760 CG LYS A 48 20.448 25.079 23.410 1.00 0.00 C ATOM 761 CD LYS A 48 19.253 25.759 22.727 1.00 0.00 C ATOM 762 CE LYS A 48 18.034 25.719 23.651 1.00 0.00 C ATOM 763 NZ LYS A 48 17.584 24.308 23.816 1.00 0.00 N ATOM 0 H LYS A 48 21.722 27.997 21.514 1.00 0.00 H new ATOM 0 HA LYS A 48 22.118 26.873 24.266 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.575 25.498 21.609 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.496 24.662 22.844 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.311 23.998 23.407 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.505 25.390 24.453 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.502 26.792 22.483 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.025 25.256 21.788 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.285 26.148 24.621 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.228 26.323 23.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.672 24.291 24.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.475 23.867 22.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.290 23.781 24.368 1.00 0.00 H new ATOM 777 N GLN A 49 24.579 26.391 23.796 1.00 0.00 N ATOM 778 CA GLN A 49 26.045 26.371 23.569 1.00 0.00 C ATOM 779 C GLN A 49 26.379 25.111 22.792 1.00 0.00 C ATOM 780 O GLN A 49 26.215 24.006 23.267 1.00 0.00 O ATOM 781 CB GLN A 49 26.782 26.380 24.898 1.00 0.00 C ATOM 782 CG GLN A 49 28.288 26.481 24.655 1.00 0.00 C ATOM 783 CD GLN A 49 29.027 26.346 25.990 1.00 0.00 C ATOM 784 OE1 GLN A 49 28.660 26.971 26.965 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.058 25.551 26.077 1.00 0.00 N ATOM 0 H GLN A 49 24.276 26.021 24.697 1.00 0.00 H new ATOM 0 HA GLN A 49 26.353 27.253 23.008 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.445 27.220 25.505 1.00 0.00 H new ATOM 0 HB3 GLN A 49 26.555 25.472 25.456 1.00 0.00 H new ATOM 0 HG2 GLN A 49 28.610 25.699 23.967 1.00 0.00 H new ATOM 0 HG3 GLN A 49 28.529 27.436 24.188 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.367 25.026 25.259 1.00 0.00 H new ATOM 0 HE22 GLN A 49 30.555 25.455 26.963 1.00 0.00 H new ATOM 794 N LEU A 50 26.818 25.273 21.590 1.00 0.00 N ATOM 795 CA LEU A 50 27.139 24.086 20.749 1.00 0.00 C ATOM 796 C LEU A 50 28.126 23.182 21.487 1.00 0.00 C ATOM 797 O LEU A 50 29.201 23.599 21.868 1.00 0.00 O ATOM 798 CB LEU A 50 27.746 24.555 19.423 1.00 0.00 C ATOM 799 CG LEU A 50 26.794 25.545 18.736 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.398 25.984 17.397 1.00 0.00 C ATOM 801 CD2 LEU A 50 25.429 24.877 18.489 1.00 0.00 C ATOM 0 H LEU A 50 26.972 26.177 21.143 1.00 0.00 H new ATOM 0 HA LEU A 50 26.228 23.522 20.549 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.711 25.029 19.602 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.927 23.699 18.773 1.00 0.00 H new ATOM 0 HG LEU A 50 26.654 26.414 19.379 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.724 26.687 16.907 1.00 0.00 H new ATOM 0 HD12 LEU A 50 28.360 26.466 17.572 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.540 25.112 16.758 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.760 25.586 18.001 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.561 24.004 17.849 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.998 24.567 19.441 1.00 0.00 H new ATOM 813 N GLU A 51 27.772 21.935 21.688 1.00 0.00 N ATOM 814 CA GLU A 51 28.691 20.997 22.400 1.00 0.00 C ATOM 815 C GLU A 51 29.498 20.207 21.369 1.00 0.00 C ATOM 816 O GLU A 51 29.006 19.838 20.312 1.00 0.00 O ATOM 817 CB GLU A 51 27.877 20.031 23.262 1.00 0.00 C ATOM 818 CG GLU A 51 26.960 20.822 24.191 1.00 0.00 C ATOM 819 CD GLU A 51 27.813 21.585 25.203 1.00 0.00 C ATOM 820 OE1 GLU A 51 28.198 22.702 24.900 1.00 0.00 O ATOM 821 OE2 GLU A 51 28.070 21.037 26.261 1.00 0.00 O ATOM 0 H GLU A 51 26.886 21.528 21.389 1.00 0.00 H new ATOM 0 HA GLU A 51 29.367 21.564 23.040 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.286 19.371 22.627 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.545 19.398 23.846 1.00 0.00 H new ATOM 0 HG2 GLU A 51 26.349 21.517 23.615 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.276 20.149 24.707 1.00 0.00 H new ATOM 828 N ASP A 52 30.739 19.941 21.671 1.00 0.00 N ATOM 829 CA ASP A 52 31.594 19.187 20.721 1.00 0.00 C ATOM 830 C ASP A 52 31.006 17.795 20.496 1.00 0.00 C ATOM 831 O ASP A 52 30.649 17.102 21.429 1.00 0.00 O ATOM 832 CB ASP A 52 32.998 19.054 21.309 1.00 0.00 C ATOM 833 CG ASP A 52 32.930 18.274 22.625 1.00 0.00 C ATOM 834 OD1 ASP A 52 32.773 17.066 22.565 1.00 0.00 O ATOM 835 OD2 ASP A 52 33.035 18.899 23.667 1.00 0.00 O ATOM 0 H ASP A 52 31.197 20.216 22.540 1.00 0.00 H new ATOM 0 HA ASP A 52 31.640 19.718 19.770 1.00 0.00 H new ATOM 0 HB2 ASP A 52 33.652 18.541 20.604 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.427 20.041 21.481 1.00 0.00 H new ATOM 840 N GLY A 53 30.926 17.368 19.260 1.00 0.00 N ATOM 841 CA GLY A 53 30.391 16.003 18.956 1.00 0.00 C ATOM 842 C GLY A 53 28.932 16.049 18.465 1.00 0.00 C ATOM 843 O GLY A 53 28.448 15.087 17.902 1.00 0.00 O ATOM 0 H GLY A 53 31.210 17.909 18.443 1.00 0.00 H new ATOM 0 HA2 GLY A 53 31.014 15.531 18.196 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.453 15.382 19.850 1.00 0.00 H new ATOM 847 N ARG A 54 28.212 17.128 18.654 1.00 0.00 N ATOM 848 CA ARG A 54 26.798 17.148 18.165 1.00 0.00 C ATOM 849 C ARG A 54 26.789 17.484 16.665 1.00 0.00 C ATOM 850 O ARG A 54 27.775 17.951 16.118 1.00 0.00 O ATOM 851 CB ARG A 54 25.997 18.214 18.913 1.00 0.00 C ATOM 852 CG ARG A 54 26.146 18.066 20.450 1.00 0.00 C ATOM 853 CD ARG A 54 25.114 17.050 20.999 1.00 0.00 C ATOM 854 NE ARG A 54 25.760 16.043 21.902 1.00 0.00 N ATOM 855 CZ ARG A 54 24.981 15.274 22.616 1.00 0.00 C ATOM 856 NH1 ARG A 54 25.399 14.100 23.024 1.00 0.00 N ATOM 857 NH2 ARG A 54 23.838 15.726 23.036 1.00 0.00 N ATOM 0 H ARG A 54 28.533 17.979 19.116 1.00 0.00 H new ATOM 0 HA ARG A 54 26.348 16.170 18.338 1.00 0.00 H new ATOM 0 HB2 ARG A 54 26.335 19.204 18.608 1.00 0.00 H new ATOM 0 HB3 ARG A 54 24.945 18.138 18.640 1.00 0.00 H new ATOM 0 HG2 ARG A 54 27.156 17.735 20.693 1.00 0.00 H new ATOM 0 HG3 ARG A 54 26.003 19.034 20.930 1.00 0.00 H new ATOM 0 HD2 ARG A 54 24.334 17.581 21.544 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.630 16.537 20.168 1.00 0.00 H new ATOM 0 HE ARG A 54 26.775 15.961 21.957 1.00 0.00 H new ATOM 0 HH11 ARG A 54 26.338 13.781 22.784 1.00 0.00 H new ATOM 0 HH12 ARG A 54 24.785 13.505 23.581 1.00 0.00 H new ATOM 0 HH21 ARG A 54 23.551 16.678 22.808 1.00 0.00 H new ATOM 0 HH22 ARG A 54 23.227 15.129 23.593 1.00 0.00 H new ATOM 871 N THR A 55 25.685 17.242 15.986 1.00 0.00 N ATOM 872 CA THR A 55 25.607 17.538 14.517 1.00 0.00 C ATOM 873 C THR A 55 24.772 18.805 14.290 1.00 0.00 C ATOM 874 O THR A 55 23.850 19.089 15.024 1.00 0.00 O ATOM 875 CB THR A 55 24.941 16.355 13.805 1.00 0.00 C ATOM 876 OG1 THR A 55 25.599 15.151 14.170 1.00 0.00 O ATOM 877 CG2 THR A 55 25.031 16.545 12.289 1.00 0.00 C ATOM 0 H THR A 55 24.834 16.851 16.390 1.00 0.00 H new ATOM 0 HA THR A 55 26.610 17.693 14.120 1.00 0.00 H new ATOM 0 HB THR A 55 23.893 16.303 14.100 1.00 0.00 H new ATOM 0 HG1 THR A 55 25.172 14.394 13.716 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.556 15.702 11.788 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.523 17.467 12.007 1.00 0.00 H new ATOM 0 HG23 THR A 55 26.078 16.602 11.991 1.00 0.00 H new ATOM 885 N LEU A 56 25.094 19.569 13.276 1.00 0.00 N ATOM 886 CA LEU A 56 24.321 20.823 13.001 1.00 0.00 C ATOM 887 C LEU A 56 22.835 20.479 12.805 1.00 0.00 C ATOM 888 O LEU A 56 21.964 21.177 13.287 1.00 0.00 O ATOM 889 CB LEU A 56 24.870 21.502 11.728 1.00 0.00 C ATOM 890 CG LEU A 56 26.005 22.478 12.076 1.00 0.00 C ATOM 891 CD1 LEU A 56 27.239 21.704 12.539 1.00 0.00 C ATOM 892 CD2 LEU A 56 26.363 23.297 10.835 1.00 0.00 C ATOM 0 H LEU A 56 25.858 19.380 12.627 1.00 0.00 H new ATOM 0 HA LEU A 56 24.425 21.505 13.845 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.236 20.744 11.035 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.067 22.037 11.221 1.00 0.00 H new ATOM 0 HG LEU A 56 25.675 23.139 12.877 1.00 0.00 H new ATOM 0 HD11 LEU A 56 28.038 22.405 12.783 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.989 21.116 13.422 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.571 21.039 11.742 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.168 23.991 11.077 1.00 0.00 H new ATOM 0 HD22 LEU A 56 26.688 22.628 10.039 1.00 0.00 H new ATOM 0 HD23 LEU A 56 25.488 23.857 10.504 1.00 0.00 H new ATOM 904 N SER A 57 22.540 19.423 12.102 1.00 0.00 N ATOM 905 CA SER A 57 21.110 19.056 11.884 1.00 0.00 C ATOM 906 C SER A 57 20.439 18.821 13.240 1.00 0.00 C ATOM 907 O SER A 57 19.237 18.925 13.378 1.00 0.00 O ATOM 908 CB SER A 57 21.031 17.779 11.047 1.00 0.00 C ATOM 909 OG SER A 57 21.570 16.696 11.793 1.00 0.00 O ATOM 0 H SER A 57 23.222 18.799 11.670 1.00 0.00 H new ATOM 0 HA SER A 57 20.601 19.863 11.358 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.996 17.570 10.777 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.584 17.906 10.116 1.00 0.00 H new ATOM 0 HG SER A 57 21.520 15.875 11.260 1.00 0.00 H new ATOM 915 N ASP A 58 21.211 18.498 14.241 1.00 0.00 N ATOM 916 CA ASP A 58 20.624 18.247 15.586 1.00 0.00 C ATOM 917 C ASP A 58 19.987 19.533 16.113 1.00 0.00 C ATOM 918 O ASP A 58 19.176 19.507 17.017 1.00 0.00 O ATOM 919 CB ASP A 58 21.722 17.788 16.548 1.00 0.00 C ATOM 920 CG ASP A 58 21.083 17.246 17.828 1.00 0.00 C ATOM 921 OD1 ASP A 58 20.365 17.994 18.470 1.00 0.00 O ATOM 922 OD2 ASP A 58 21.322 16.092 18.143 1.00 0.00 O ATOM 0 H ASP A 58 22.224 18.397 14.185 1.00 0.00 H new ATOM 0 HA ASP A 58 19.863 17.470 15.509 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.333 17.017 16.079 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.385 18.620 16.784 1.00 0.00 H new ATOM 927 N TYR A 59 20.355 20.659 15.556 1.00 0.00 N ATOM 928 CA TYR A 59 19.788 21.966 16.020 1.00 0.00 C ATOM 929 C TYR A 59 18.803 22.512 14.980 1.00 0.00 C ATOM 930 O TYR A 59 18.309 23.614 15.114 1.00 0.00 O ATOM 931 CB TYR A 59 20.937 22.968 16.202 1.00 0.00 C ATOM 932 CG TYR A 59 21.595 22.763 17.549 1.00 0.00 C ATOM 933 CD1 TYR A 59 22.900 22.261 17.629 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.902 23.102 18.716 1.00 0.00 C ATOM 935 CE1 TYR A 59 23.506 22.091 18.882 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.506 22.927 19.966 1.00 0.00 C ATOM 937 CZ TYR A 59 22.809 22.426 20.049 1.00 0.00 C ATOM 938 OH TYR A 59 23.407 22.259 21.281 1.00 0.00 O ATOM 0 H TYR A 59 21.029 20.731 14.794 1.00 0.00 H new ATOM 0 HA TYR A 59 19.263 21.818 16.963 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.671 22.840 15.406 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.557 23.987 16.125 1.00 0.00 H new ATOM 0 HD1 TYR A 59 23.438 22.006 16.728 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.900 23.499 18.652 1.00 0.00 H new ATOM 0 HE1 TYR A 59 24.511 21.701 18.947 1.00 0.00 H new ATOM 0 HE2 TYR A 59 20.966 23.179 20.867 1.00 0.00 H new ATOM 0 HH TYR A 59 22.787 22.540 21.986 1.00 0.00 H new ATOM 948 N ASN A 60 18.503 21.770 13.949 1.00 0.00 N ATOM 949 CA ASN A 60 17.550 22.285 12.926 1.00 0.00 C ATOM 950 C ASN A 60 17.970 23.692 12.492 1.00 0.00 C ATOM 951 O ASN A 60 17.170 24.605 12.444 1.00 0.00 O ATOM 952 CB ASN A 60 16.139 22.323 13.519 1.00 0.00 C ATOM 953 CG ASN A 60 15.647 20.893 13.747 1.00 0.00 C ATOM 954 OD1 ASN A 60 15.677 20.079 12.845 1.00 0.00 O ATOM 955 ND2 ASN A 60 15.194 20.549 14.921 1.00 0.00 N ATOM 0 H ASN A 60 18.874 20.836 13.772 1.00 0.00 H new ATOM 0 HA ASN A 60 17.558 21.627 12.057 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.143 22.873 14.460 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.463 22.849 12.845 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.865 19.597 15.082 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.169 21.232 15.678 1.00 0.00 H new ATOM 962 N ILE A 61 19.225 23.873 12.178 1.00 0.00 N ATOM 963 CA ILE A 61 19.708 25.215 11.745 1.00 0.00 C ATOM 964 C ILE A 61 19.091 25.551 10.381 1.00 0.00 C ATOM 965 O ILE A 61 18.561 24.691 9.707 1.00 0.00 O ATOM 966 CB ILE A 61 21.243 25.187 11.665 1.00 0.00 C ATOM 967 CG1 ILE A 61 21.788 24.601 12.976 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.793 26.608 11.470 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.319 24.610 12.967 1.00 0.00 C ATOM 0 H ILE A 61 19.939 23.145 12.203 1.00 0.00 H new ATOM 0 HA ILE A 61 19.409 25.983 12.459 1.00 0.00 H new ATOM 0 HB ILE A 61 21.554 24.576 10.818 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.419 25.181 13.822 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.424 23.582 13.105 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.881 26.573 11.415 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.396 27.028 10.546 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.492 27.233 12.311 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.691 24.192 13.902 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.681 24.010 12.132 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.676 25.634 12.860 1.00 0.00 H new ATOM 981 N GLN A 62 19.154 26.796 9.974 1.00 0.00 N ATOM 982 CA GLN A 62 18.570 27.206 8.655 1.00 0.00 C ATOM 983 C GLN A 62 19.629 27.943 7.826 1.00 0.00 C ATOM 984 O GLN A 62 20.355 28.787 8.319 1.00 0.00 O ATOM 985 CB GLN A 62 17.367 28.118 8.898 1.00 0.00 C ATOM 986 CG GLN A 62 16.292 27.342 9.664 1.00 0.00 C ATOM 987 CD GLN A 62 15.156 28.287 10.058 1.00 0.00 C ATOM 988 OE1 GLN A 62 14.305 28.602 9.252 1.00 0.00 O ATOM 989 NE2 GLN A 62 15.107 28.754 11.277 1.00 0.00 N ATOM 0 H GLN A 62 19.588 27.553 10.503 1.00 0.00 H new ATOM 0 HA GLN A 62 18.247 26.321 8.107 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.671 28.997 9.466 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.968 28.474 7.948 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.906 26.531 9.046 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.724 26.886 10.555 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.823 28.489 11.954 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.353 29.384 11.552 1.00 0.00 H new ATOM 998 N LYS A 63 19.730 27.612 6.567 1.00 0.00 N ATOM 999 CA LYS A 63 20.742 28.266 5.693 1.00 0.00 C ATOM 1000 C LYS A 63 20.647 29.790 5.805 1.00 0.00 C ATOM 1001 O LYS A 63 19.583 30.346 5.978 1.00 0.00 O ATOM 1002 CB LYS A 63 20.507 27.843 4.239 1.00 0.00 C ATOM 1003 CG LYS A 63 19.049 28.100 3.842 1.00 0.00 C ATOM 1004 CD LYS A 63 18.783 27.481 2.466 1.00 0.00 C ATOM 1005 CE LYS A 63 17.336 27.752 2.047 1.00 0.00 C ATOM 1006 NZ LYS A 63 16.408 27.035 2.968 1.00 0.00 N ATOM 0 H LYS A 63 19.150 26.912 6.105 1.00 0.00 H new ATOM 0 HA LYS A 63 21.736 27.955 6.013 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.174 28.397 3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.744 26.786 4.117 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.377 27.669 4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 63 18.850 29.171 3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.469 27.900 1.730 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.967 26.407 2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.134 28.823 2.071 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.175 27.420 1.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.470 26.960 2.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.778 26.082 3.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.329 27.562 3.861 1.00 0.00 H new ATOM 1020 N GLU A 64 21.771 30.454 5.700 1.00 0.00 N ATOM 1021 CA GLU A 64 21.809 31.945 5.785 1.00 0.00 C ATOM 1022 C GLU A 64 21.437 32.423 7.191 1.00 0.00 C ATOM 1023 O GLU A 64 21.161 33.588 7.399 1.00 0.00 O ATOM 1024 CB GLU A 64 20.863 32.562 4.750 1.00 0.00 C ATOM 1025 CG GLU A 64 21.070 31.871 3.400 1.00 0.00 C ATOM 1026 CD GLU A 64 20.398 32.692 2.297 1.00 0.00 C ATOM 1027 OE1 GLU A 64 20.740 33.855 2.159 1.00 0.00 O ATOM 1028 OE2 GLU A 64 19.556 32.141 1.607 1.00 0.00 O ATOM 0 H GLU A 64 22.681 30.016 5.556 1.00 0.00 H new ATOM 0 HA GLU A 64 22.827 32.270 5.571 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.828 32.450 5.074 1.00 0.00 H new ATOM 0 HB3 GLU A 64 21.054 33.631 4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 64 22.135 31.767 3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.650 30.865 3.426 1.00 0.00 H new ATOM 1066 N LEU A 67 25.003 33.026 13.384 1.00 0.00 N ATOM 1067 CA LEU A 67 25.376 32.433 14.703 1.00 0.00 C ATOM 1068 C LEU A 67 26.014 33.522 15.572 1.00 0.00 C ATOM 1069 O LEU A 67 26.591 34.467 15.068 1.00 0.00 O ATOM 1070 CB LEU A 67 26.400 31.311 14.488 1.00 0.00 C ATOM 1071 CG LEU A 67 25.704 30.052 13.961 1.00 0.00 C ATOM 1072 CD1 LEU A 67 25.150 30.308 12.555 1.00 0.00 C ATOM 1073 CD2 LEU A 67 26.718 28.907 13.912 1.00 0.00 C ATOM 0 HA LEU A 67 24.487 32.032 15.189 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.163 31.636 13.781 1.00 0.00 H new ATOM 0 HB3 LEU A 67 26.909 31.088 15.426 1.00 0.00 H new ATOM 0 HG LEU A 67 24.878 29.789 14.622 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.657 29.408 12.189 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.431 31.126 12.591 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.968 30.572 11.884 1.00 0.00 H new ATOM 0 HD21 LEU A 67 26.232 28.006 13.538 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.540 29.177 13.249 1.00 0.00 H new ATOM 0 HD23 LEU A 67 27.105 28.721 14.914 1.00 0.00 H new ATOM 1085 N HIS A 68 25.925 33.397 16.871 1.00 0.00 N ATOM 1086 CA HIS A 68 26.538 34.423 17.772 1.00 0.00 C ATOM 1087 C HIS A 68 27.900 33.923 18.239 1.00 0.00 C ATOM 1088 O HIS A 68 28.013 32.833 18.771 1.00 0.00 O ATOM 1089 CB HIS A 68 25.653 34.623 18.999 1.00 0.00 C ATOM 1090 CG HIS A 68 24.215 34.726 18.571 1.00 0.00 C ATOM 1091 ND1 HIS A 68 23.538 35.937 18.545 1.00 0.00 N ATOM 1092 CD2 HIS A 68 23.314 33.781 18.144 1.00 0.00 C ATOM 1093 CE1 HIS A 68 22.286 35.692 18.116 1.00 0.00 C ATOM 1094 NE2 HIS A 68 22.100 34.397 17.858 1.00 0.00 N ATOM 0 H HIS A 68 25.454 32.629 17.349 1.00 0.00 H new ATOM 0 HA HIS A 68 26.640 35.363 17.230 1.00 0.00 H new ATOM 0 HB2 HIS A 68 25.779 33.790 19.690 1.00 0.00 H new ATOM 0 HB3 HIS A 68 25.950 35.527 19.531 1.00 0.00 H new ATOM 0 HD2 HIS A 68 23.517 32.725 18.046 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.526 36.450 17.996 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.246 33.951 17.521 1.00 0.00 H new ATOM 1103 N LEU A 69 28.936 34.700 18.057 1.00 0.00 N ATOM 1104 CA LEU A 69 30.293 34.257 18.501 1.00 0.00 C ATOM 1105 C LEU A 69 30.715 35.056 19.731 1.00 0.00 C ATOM 1106 O LEU A 69 30.874 36.259 19.680 1.00 0.00 O ATOM 1107 CB LEU A 69 31.295 34.478 17.361 1.00 0.00 C ATOM 1108 CG LEU A 69 32.744 34.327 17.859 1.00 0.00 C ATOM 1109 CD1 LEU A 69 32.916 32.997 18.604 1.00 0.00 C ATOM 1110 CD2 LEU A 69 33.689 34.352 16.654 1.00 0.00 C ATOM 0 H LEU A 69 28.902 35.621 17.621 1.00 0.00 H new ATOM 0 HA LEU A 69 30.269 33.198 18.758 1.00 0.00 H new ATOM 0 HB2 LEU A 69 31.105 33.761 16.562 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.155 35.472 16.937 1.00 0.00 H new ATOM 0 HG LEU A 69 32.975 35.147 18.539 1.00 0.00 H new ATOM 0 HD11 LEU A 69 33.945 32.904 18.950 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.242 32.969 19.460 1.00 0.00 H new ATOM 0 HD13 LEU A 69 32.683 32.171 17.932 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.718 34.246 16.997 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.443 33.530 15.982 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.579 35.298 16.125 1.00 0.00 H new ATOM 1122 N VAL A 70 30.913 34.383 20.833 1.00 0.00 N ATOM 1123 CA VAL A 70 31.343 35.075 22.085 1.00 0.00 C ATOM 1124 C VAL A 70 32.834 34.813 22.303 1.00 0.00 C ATOM 1125 O VAL A 70 33.327 33.737 22.026 1.00 0.00 O ATOM 1126 CB VAL A 70 30.551 34.513 23.265 1.00 0.00 C ATOM 1127 CG1 VAL A 70 30.975 35.219 24.557 1.00 0.00 C ATOM 1128 CG2 VAL A 70 29.058 34.748 23.020 1.00 0.00 C ATOM 0 H VAL A 70 30.794 33.374 20.921 1.00 0.00 H new ATOM 0 HA VAL A 70 31.163 36.147 22.003 1.00 0.00 H new ATOM 0 HB VAL A 70 30.747 33.445 23.362 1.00 0.00 H new ATOM 0 HG11 VAL A 70 30.408 34.815 25.395 1.00 0.00 H new ATOM 0 HG12 VAL A 70 32.039 35.057 24.728 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.780 36.288 24.468 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.485 34.350 23.857 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.869 35.817 22.926 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.756 34.244 22.102 1.00 0.00 H new ATOM 1138 N LEU A 71 33.566 35.781 22.800 1.00 0.00 N ATOM 1139 CA LEU A 71 35.028 35.569 23.031 1.00 0.00 C ATOM 1140 C LEU A 71 35.261 35.134 24.478 1.00 0.00 C ATOM 1141 O LEU A 71 35.052 35.887 25.408 1.00 0.00 O ATOM 1142 CB LEU A 71 35.786 36.876 22.765 1.00 0.00 C ATOM 1143 CG LEU A 71 35.932 37.101 21.256 1.00 0.00 C ATOM 1144 CD1 LEU A 71 34.560 37.005 20.584 1.00 0.00 C ATOM 1145 CD2 LEU A 71 36.527 38.493 21.014 1.00 0.00 C ATOM 0 H LEU A 71 33.215 36.704 23.054 1.00 0.00 H new ATOM 0 HA LEU A 71 35.390 34.794 22.355 1.00 0.00 H new ATOM 0 HB2 LEU A 71 35.253 37.713 23.216 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.770 36.836 23.232 1.00 0.00 H new ATOM 0 HG LEU A 71 36.589 36.341 20.834 1.00 0.00 H new ATOM 0 HD11 LEU A 71 34.668 37.166 19.511 1.00 0.00 H new ATOM 0 HD12 LEU A 71 34.136 36.017 20.762 1.00 0.00 H new ATOM 0 HD13 LEU A 71 33.897 37.764 20.999 1.00 0.00 H new ATOM 0 HD21 LEU A 71 36.634 38.662 19.942 1.00 0.00 H new ATOM 0 HD22 LEU A 71 35.866 39.250 21.436 1.00 0.00 H new ATOM 0 HD23 LEU A 71 37.505 38.559 21.491 1.00 0.00 H new