USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 628 hydrogens (10 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 66 TPO H2 : A 66 TPO N : A 65 SEP C :(H bumps) USER MOD Set 1.1: A 22 THR OG1 : rot -97:sc= 0.848 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.131 K(o=0.72,f=-5.3!) USER MOD Set 2.1: A 7 THR OG1 : rot -81:sc= 1.36 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0.594 (180deg=-0.0956) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -165:sc= -0.0198 (180deg=-0.336) USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= -0.142 (180deg=-1.11) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 26:sc= 0.281 USER MOD Single : A 20 SER OG : rot -37:sc= 0.762 USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= 0.172 (180deg=0.03) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.115) USER MOD Single : A 31 GLN : amide:sc= -0.78 K(o=-0.78,f=-2!) USER MOD Single : A 33 LYS NZ :NH3+ -154:sc= -0.132 (180deg=-0.732) USER MOD Single : A 40 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.14) USER MOD Single : A 41 GLN : amide:sc= -0.721 X(o=-0.72,f=-0.88) USER MOD Single : A 48 LYS NZ :NH3+ -152:sc= 0.261 (180deg=0.0365) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 55 THR OG1 : rot 102:sc= -2.07! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 0:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0997 K(o=-0.1,f=-1.4) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -163:sc= -0.0489 (180deg=-0.39) USER MOD Single : A 68 HIS : no HE2:sc= 0.0592 K(o=0.059,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.101 24.659 2.606 1.00 0.00 N ATOM 2 CA MET A 1 25.202 25.800 2.938 1.00 0.00 C ATOM 3 C MET A 1 26.044 26.994 3.392 1.00 0.00 C ATOM 4 O MET A 1 27.124 26.835 3.927 1.00 0.00 O ATOM 5 CB MET A 1 24.251 25.391 4.064 1.00 0.00 C ATOM 6 CG MET A 1 23.450 24.161 3.635 1.00 0.00 C ATOM 7 SD MET A 1 22.432 23.594 5.020 1.00 0.00 S ATOM 8 CE MET A 1 21.346 22.500 4.071 1.00 0.00 C ATOM 0 H1 MET A 1 25.572 23.946 2.065 1.00 0.00 H new ATOM 0 H2 MET A 1 26.901 25.002 2.037 1.00 0.00 H new ATOM 0 H3 MET A 1 26.459 24.232 3.484 1.00 0.00 H new ATOM 0 HA MET A 1 24.623 26.075 2.056 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.816 25.172 4.970 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.576 26.213 4.301 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.818 24.404 2.781 1.00 0.00 H new ATOM 0 HG3 MET A 1 24.125 23.367 3.316 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.623 22.034 4.741 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.818 23.079 3.314 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.942 21.727 3.586 1.00 0.00 H new ATOM 20 N GLN A 2 25.560 28.190 3.176 1.00 0.00 N ATOM 21 CA GLN A 2 26.329 29.406 3.586 1.00 0.00 C ATOM 22 C GLN A 2 25.771 29.953 4.901 1.00 0.00 C ATOM 23 O GLN A 2 24.576 29.974 5.120 1.00 0.00 O ATOM 24 CB GLN A 2 26.189 30.479 2.504 1.00 0.00 C ATOM 25 CG GLN A 2 26.564 29.890 1.143 1.00 0.00 C ATOM 26 CD GLN A 2 26.552 30.999 0.089 1.00 0.00 C ATOM 27 OE1 GLN A 2 27.402 31.867 0.094 1.00 0.00 O ATOM 28 NE2 GLN A 2 25.617 31.007 -0.822 1.00 0.00 N ATOM 0 H GLN A 2 24.662 28.379 2.731 1.00 0.00 H new ATOM 0 HA GLN A 2 27.378 29.140 3.717 1.00 0.00 H new ATOM 0 HB2 GLN A 2 25.166 30.853 2.480 1.00 0.00 H new ATOM 0 HB3 GLN A 2 26.833 31.327 2.734 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.551 29.431 1.193 1.00 0.00 H new ATOM 0 HG3 GLN A 2 25.860 29.104 0.868 1.00 0.00 H new ATOM 0 HE21 GLN A 2 24.903 30.278 -0.827 1.00 0.00 H new ATOM 0 HE22 GLN A 2 25.600 31.742 -1.529 1.00 0.00 H new ATOM 37 N ILE A 3 26.631 30.414 5.772 1.00 0.00 N ATOM 38 CA ILE A 3 26.169 30.986 7.074 1.00 0.00 C ATOM 39 C ILE A 3 27.030 32.208 7.396 1.00 0.00 C ATOM 40 O ILE A 3 28.083 32.397 6.817 1.00 0.00 O ATOM 41 CB ILE A 3 26.311 29.941 8.184 1.00 0.00 C ATOM 42 CG1 ILE A 3 27.708 29.320 8.130 1.00 0.00 C ATOM 43 CG2 ILE A 3 25.260 28.847 7.993 1.00 0.00 C ATOM 44 CD1 ILE A 3 27.924 28.446 9.366 1.00 0.00 C ATOM 0 H ILE A 3 27.642 30.419 5.637 1.00 0.00 H new ATOM 0 HA ILE A 3 25.120 31.275 7.004 1.00 0.00 H new ATOM 0 HB ILE A 3 26.165 30.421 9.152 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.818 28.722 7.225 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.465 30.103 8.088 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.361 28.103 8.783 1.00 0.00 H new ATOM 0 HG22 ILE A 3 24.264 29.288 8.035 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.404 28.369 7.024 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.919 28.003 9.329 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.832 29.057 10.264 1.00 0.00 H new ATOM 0 HD13 ILE A 3 27.175 27.654 9.387 1.00 0.00 H new ATOM 56 N PHE A 4 26.594 33.041 8.310 1.00 0.00 N ATOM 57 CA PHE A 4 27.386 34.264 8.667 1.00 0.00 C ATOM 58 C PHE A 4 27.706 34.250 10.161 1.00 0.00 C ATOM 59 O PHE A 4 26.849 34.019 10.986 1.00 0.00 O ATOM 60 CB PHE A 4 26.555 35.508 8.346 1.00 0.00 C ATOM 61 CG PHE A 4 26.179 35.501 6.883 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.078 34.754 6.447 1.00 0.00 C ATOM 63 CD2 PHE A 4 26.929 36.244 5.963 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.727 34.749 5.092 1.00 0.00 C ATOM 65 CE2 PHE A 4 26.578 36.238 4.607 1.00 0.00 C ATOM 66 CZ PHE A 4 25.478 35.491 4.172 1.00 0.00 C ATOM 0 H PHE A 4 25.722 32.928 8.826 1.00 0.00 H new ATOM 0 HA PHE A 4 28.314 34.276 8.096 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.657 35.527 8.963 1.00 0.00 H new ATOM 0 HB3 PHE A 4 27.123 36.408 8.582 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.499 34.181 7.157 1.00 0.00 H new ATOM 0 HD2 PHE A 4 27.778 36.821 6.299 1.00 0.00 H new ATOM 0 HE1 PHE A 4 23.877 34.173 4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 4 27.157 36.810 3.897 1.00 0.00 H new ATOM 0 HZ PHE A 4 25.208 35.487 3.126 1.00 0.00 H new ATOM 76 N VAL A 5 28.936 34.506 10.521 1.00 0.00 N ATOM 77 CA VAL A 5 29.308 34.519 11.968 1.00 0.00 C ATOM 78 C VAL A 5 29.338 35.966 12.457 1.00 0.00 C ATOM 79 O VAL A 5 30.177 36.747 12.054 1.00 0.00 O ATOM 80 CB VAL A 5 30.689 33.890 12.148 1.00 0.00 C ATOM 81 CG1 VAL A 5 31.016 33.804 13.639 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.690 32.484 11.547 1.00 0.00 C ATOM 0 H VAL A 5 29.700 34.707 9.876 1.00 0.00 H new ATOM 0 HA VAL A 5 28.578 33.949 12.542 1.00 0.00 H new ATOM 0 HB VAL A 5 31.437 34.502 11.644 1.00 0.00 H new ATOM 0 HG11 VAL A 5 32.001 33.356 13.770 1.00 0.00 H new ATOM 0 HG12 VAL A 5 31.013 34.805 14.071 1.00 0.00 H new ATOM 0 HG13 VAL A 5 30.268 33.190 14.141 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.675 32.034 11.675 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.943 31.872 12.052 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.453 32.542 10.485 1.00 0.00 H new ATOM 92 N LYS A 6 28.432 36.326 13.327 1.00 0.00 N ATOM 93 CA LYS A 6 28.406 37.723 13.850 1.00 0.00 C ATOM 94 C LYS A 6 29.286 37.806 15.100 1.00 0.00 C ATOM 95 O LYS A 6 29.003 37.193 16.113 1.00 0.00 O ATOM 96 CB LYS A 6 26.966 38.097 14.207 1.00 0.00 C ATOM 97 CG LYS A 6 26.915 39.542 14.704 1.00 0.00 C ATOM 98 CD LYS A 6 25.458 39.949 14.934 1.00 0.00 C ATOM 99 CE LYS A 6 25.390 41.432 15.305 1.00 0.00 C ATOM 100 NZ LYS A 6 26.110 41.656 16.590 1.00 0.00 N ATOM 0 H LYS A 6 27.708 35.712 13.699 1.00 0.00 H new ATOM 0 HA LYS A 6 28.783 38.412 13.094 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.323 37.980 13.335 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.586 37.425 14.976 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.482 39.640 15.630 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.379 40.206 13.974 1.00 0.00 H new ATOM 0 HD2 LYS A 6 24.872 39.762 14.034 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.023 39.345 15.730 1.00 0.00 H new ATOM 0 HE2 LYS A 6 25.837 42.036 14.515 1.00 0.00 H new ATOM 0 HE3 LYS A 6 24.351 41.747 15.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 25.856 42.589 16.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.841 40.918 17.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.136 41.617 16.424 1.00 0.00 H new ATOM 114 N THR A 7 30.363 38.549 15.032 1.00 0.00 N ATOM 115 CA THR A 7 31.276 38.666 16.209 1.00 0.00 C ATOM 116 C THR A 7 30.900 39.897 17.038 1.00 0.00 C ATOM 117 O THR A 7 30.217 40.787 16.574 1.00 0.00 O ATOM 118 CB THR A 7 32.716 38.805 15.712 1.00 0.00 C ATOM 119 OG1 THR A 7 32.801 39.903 14.815 1.00 0.00 O ATOM 120 CG2 THR A 7 33.133 37.521 14.993 1.00 0.00 C ATOM 0 H THR A 7 30.649 39.080 14.210 1.00 0.00 H new ATOM 0 HA THR A 7 31.184 37.776 16.831 1.00 0.00 H new ATOM 0 HB THR A 7 33.380 38.977 16.559 1.00 0.00 H new ATOM 0 HG1 THR A 7 32.492 39.625 13.928 1.00 0.00 H new ATOM 0 HG21 THR A 7 34.159 37.619 14.639 1.00 0.00 H new ATOM 0 HG22 THR A 7 33.066 36.680 15.683 1.00 0.00 H new ATOM 0 HG23 THR A 7 32.471 37.348 14.145 1.00 0.00 H new ATOM 128 N LEU A 8 31.342 39.952 18.265 1.00 0.00 N ATOM 129 CA LEU A 8 31.011 41.121 19.129 1.00 0.00 C ATOM 130 C LEU A 8 31.715 42.373 18.600 1.00 0.00 C ATOM 131 O LEU A 8 31.338 43.485 18.911 1.00 0.00 O ATOM 132 CB LEU A 8 31.479 40.846 20.560 1.00 0.00 C ATOM 133 CG LEU A 8 31.006 39.458 21.003 1.00 0.00 C ATOM 134 CD1 LEU A 8 31.502 39.184 22.425 1.00 0.00 C ATOM 135 CD2 LEU A 8 29.473 39.398 20.974 1.00 0.00 C ATOM 0 H LEU A 8 31.919 39.237 18.707 1.00 0.00 H new ATOM 0 HA LEU A 8 29.933 41.280 19.118 1.00 0.00 H new ATOM 0 HB2 LEU A 8 32.566 40.904 20.614 1.00 0.00 H new ATOM 0 HB3 LEU A 8 31.085 41.607 21.234 1.00 0.00 H new ATOM 0 HG LEU A 8 31.407 38.705 20.324 1.00 0.00 H new ATOM 0 HD11 LEU A 8 31.167 38.197 22.743 1.00 0.00 H new ATOM 0 HD12 LEU A 8 32.591 39.221 22.444 1.00 0.00 H new ATOM 0 HD13 LEU A 8 31.101 39.939 23.102 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.142 38.409 21.290 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.067 40.150 21.650 1.00 0.00 H new ATOM 0 HD23 LEU A 8 29.120 39.593 19.961 1.00 0.00 H new ATOM 147 N THR A 9 32.738 42.205 17.805 1.00 0.00 N ATOM 148 CA THR A 9 33.462 43.391 17.264 1.00 0.00 C ATOM 149 C THR A 9 32.708 43.944 16.053 1.00 0.00 C ATOM 150 O THR A 9 33.055 44.976 15.514 1.00 0.00 O ATOM 151 CB THR A 9 34.876 42.981 16.847 1.00 0.00 C ATOM 152 OG1 THR A 9 34.812 41.810 16.045 1.00 0.00 O ATOM 153 CG2 THR A 9 35.718 42.705 18.094 1.00 0.00 C ATOM 0 H THR A 9 33.103 41.300 17.508 1.00 0.00 H new ATOM 0 HA THR A 9 33.522 44.161 18.033 1.00 0.00 H new ATOM 0 HB THR A 9 35.334 43.787 16.274 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.717 41.548 15.776 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.725 42.413 17.796 1.00 0.00 H new ATOM 0 HG22 THR A 9 35.768 43.605 18.706 1.00 0.00 H new ATOM 0 HG23 THR A 9 35.262 41.900 18.670 1.00 0.00 H new ATOM 161 N GLY A 10 31.672 43.271 15.625 1.00 0.00 N ATOM 162 CA GLY A 10 30.887 43.762 14.455 1.00 0.00 C ATOM 163 C GLY A 10 31.465 43.192 13.159 1.00 0.00 C ATOM 164 O GLY A 10 31.159 43.658 12.079 1.00 0.00 O ATOM 0 H GLY A 10 31.335 42.401 16.037 1.00 0.00 H new ATOM 0 HA2 GLY A 10 29.843 43.467 14.558 1.00 0.00 H new ATOM 0 HA3 GLY A 10 30.908 44.851 14.424 1.00 0.00 H new ATOM 168 N LYS A 11 32.297 42.185 13.245 1.00 0.00 N ATOM 169 CA LYS A 11 32.885 41.592 12.006 1.00 0.00 C ATOM 170 C LYS A 11 32.032 40.406 11.552 1.00 0.00 C ATOM 171 O LYS A 11 31.793 39.476 12.299 1.00 0.00 O ATOM 172 CB LYS A 11 34.306 41.102 12.296 1.00 0.00 C ATOM 173 CG LYS A 11 35.139 42.236 12.905 1.00 0.00 C ATOM 174 CD LYS A 11 35.344 43.353 11.873 1.00 0.00 C ATOM 175 CE LYS A 11 36.528 44.229 12.291 1.00 0.00 C ATOM 176 NZ LYS A 11 37.774 43.412 12.292 1.00 0.00 N ATOM 0 H LYS A 11 32.594 41.749 14.118 1.00 0.00 H new ATOM 0 HA LYS A 11 32.910 42.350 11.223 1.00 0.00 H new ATOM 0 HB2 LYS A 11 34.274 40.255 12.981 1.00 0.00 H new ATOM 0 HB3 LYS A 11 34.773 40.751 11.376 1.00 0.00 H new ATOM 0 HG2 LYS A 11 34.637 42.633 13.787 1.00 0.00 H new ATOM 0 HG3 LYS A 11 36.105 41.852 13.234 1.00 0.00 H new ATOM 0 HD2 LYS A 11 35.527 42.923 10.888 1.00 0.00 H new ATOM 0 HD3 LYS A 11 34.441 43.958 11.794 1.00 0.00 H new ATOM 0 HE2 LYS A 11 36.632 45.070 11.605 1.00 0.00 H new ATOM 0 HE3 LYS A 11 36.353 44.646 13.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 38.592 44.026 12.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 37.890 42.957 13.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 37.711 42.682 11.554 1.00 0.00 H new ATOM 190 N THR A 12 31.573 40.435 10.326 1.00 0.00 N ATOM 191 CA THR A 12 30.736 39.313 9.800 1.00 0.00 C ATOM 192 C THR A 12 31.600 38.422 8.908 1.00 0.00 C ATOM 193 O THR A 12 32.204 38.883 7.959 1.00 0.00 O ATOM 194 CB THR A 12 29.581 39.880 8.973 1.00 0.00 C ATOM 195 OG1 THR A 12 28.855 40.818 9.755 1.00 0.00 O ATOM 196 CG2 THR A 12 28.655 38.739 8.552 1.00 0.00 C ATOM 0 H THR A 12 31.743 41.192 9.663 1.00 0.00 H new ATOM 0 HA THR A 12 30.337 38.733 10.632 1.00 0.00 H new ATOM 0 HB THR A 12 29.974 40.377 8.086 1.00 0.00 H new ATOM 0 HG1 THR A 12 28.116 41.183 9.225 1.00 0.00 H new ATOM 0 HG21 THR A 12 27.830 39.139 7.962 1.00 0.00 H new ATOM 0 HG22 THR A 12 29.213 38.019 7.954 1.00 0.00 H new ATOM 0 HG23 THR A 12 28.260 38.244 9.440 1.00 0.00 H new ATOM 204 N ILE A 13 31.663 37.147 9.208 1.00 0.00 N ATOM 205 CA ILE A 13 32.489 36.204 8.384 1.00 0.00 C ATOM 206 C ILE A 13 31.576 35.192 7.698 1.00 0.00 C ATOM 207 O ILE A 13 30.611 34.725 8.268 1.00 0.00 O ATOM 208 CB ILE A 13 33.473 35.462 9.285 1.00 0.00 C ATOM 209 CG1 ILE A 13 34.166 36.468 10.208 1.00 0.00 C ATOM 210 CG2 ILE A 13 34.517 34.752 8.418 1.00 0.00 C ATOM 211 CD1 ILE A 13 35.296 35.772 10.967 1.00 0.00 C ATOM 0 H ILE A 13 31.175 36.715 9.993 1.00 0.00 H new ATOM 0 HA ILE A 13 33.038 36.771 7.633 1.00 0.00 H new ATOM 0 HB ILE A 13 32.941 34.724 9.886 1.00 0.00 H new ATOM 0 HG12 ILE A 13 34.563 37.299 9.625 1.00 0.00 H new ATOM 0 HG13 ILE A 13 33.446 36.888 10.911 1.00 0.00 H new ATOM 0 HG21 ILE A 13 35.221 34.221 9.058 1.00 0.00 H new ATOM 0 HG22 ILE A 13 34.019 34.041 7.758 1.00 0.00 H new ATOM 0 HG23 ILE A 13 35.054 35.488 7.820 1.00 0.00 H new ATOM 0 HD11 ILE A 13 35.789 36.489 11.624 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.886 34.956 11.563 1.00 0.00 H new ATOM 0 HD13 ILE A 13 36.020 35.374 10.256 1.00 0.00 H new ATOM 223 N THR A 14 31.874 34.856 6.471 1.00 0.00 N ATOM 224 CA THR A 14 31.028 33.876 5.720 1.00 0.00 C ATOM 225 C THR A 14 31.714 32.511 5.702 1.00 0.00 C ATOM 226 O THR A 14 32.869 32.393 5.345 1.00 0.00 O ATOM 227 CB THR A 14 30.852 34.366 4.282 1.00 0.00 C ATOM 228 OG1 THR A 14 32.128 34.523 3.678 1.00 0.00 O ATOM 229 CG2 THR A 14 30.119 35.707 4.289 1.00 0.00 C ATOM 0 H THR A 14 32.673 35.220 5.951 1.00 0.00 H new ATOM 0 HA THR A 14 30.057 33.788 6.206 1.00 0.00 H new ATOM 0 HB THR A 14 30.270 33.639 3.716 1.00 0.00 H new ATOM 0 HG1 THR A 14 32.774 33.932 4.119 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.993 36.058 3.265 1.00 0.00 H new ATOM 0 HG22 THR A 14 29.141 35.585 4.754 1.00 0.00 H new ATOM 0 HG23 THR A 14 30.700 36.436 4.853 1.00 0.00 H new ATOM 237 N LEU A 15 31.006 31.478 6.088 1.00 0.00 N ATOM 238 CA LEU A 15 31.601 30.103 6.102 1.00 0.00 C ATOM 239 C LEU A 15 30.684 29.137 5.352 1.00 0.00 C ATOM 240 O LEU A 15 29.474 29.265 5.372 1.00 0.00 O ATOM 241 CB LEU A 15 31.741 29.617 7.549 1.00 0.00 C ATOM 242 CG LEU A 15 32.684 30.538 8.337 1.00 0.00 C ATOM 243 CD1 LEU A 15 32.523 30.258 9.833 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.145 30.283 7.933 1.00 0.00 C ATOM 0 H LEU A 15 30.035 31.528 6.396 1.00 0.00 H new ATOM 0 HA LEU A 15 32.579 30.137 5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.762 29.594 8.027 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.125 28.597 7.561 1.00 0.00 H new ATOM 0 HG LEU A 15 32.431 31.575 8.117 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.190 30.909 10.399 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.492 30.449 10.130 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.773 29.217 10.037 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.800 30.944 8.501 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.405 29.246 8.144 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.267 30.478 6.868 1.00 0.00 H new ATOM 256 N GLU A 16 31.261 28.149 4.720 1.00 0.00 N ATOM 257 CA GLU A 16 30.456 27.125 3.985 1.00 0.00 C ATOM 258 C GLU A 16 30.580 25.811 4.754 1.00 0.00 C ATOM 259 O GLU A 16 31.670 25.372 5.061 1.00 0.00 O ATOM 260 CB GLU A 16 31.014 26.949 2.570 1.00 0.00 C ATOM 261 CG GLU A 16 30.793 28.234 1.770 1.00 0.00 C ATOM 262 CD GLU A 16 31.733 29.325 2.284 1.00 0.00 C ATOM 263 OE1 GLU A 16 32.851 28.994 2.645 1.00 0.00 O ATOM 264 OE2 GLU A 16 31.320 30.473 2.309 1.00 0.00 O ATOM 0 H GLU A 16 32.270 28.005 4.681 1.00 0.00 H new ATOM 0 HA GLU A 16 29.413 27.433 3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 16 32.077 26.714 2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.522 26.111 2.075 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.976 28.051 0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 16 29.757 28.559 1.863 1.00 0.00 H new ATOM 271 N VAL A 17 29.482 25.180 5.085 1.00 0.00 N ATOM 272 CA VAL A 17 29.567 23.900 5.855 1.00 0.00 C ATOM 273 C VAL A 17 28.435 22.957 5.442 1.00 0.00 C ATOM 274 O VAL A 17 27.598 23.284 4.624 1.00 0.00 O ATOM 275 CB VAL A 17 29.471 24.200 7.368 1.00 0.00 C ATOM 276 CG1 VAL A 17 30.226 25.494 7.688 1.00 0.00 C ATOM 277 CG2 VAL A 17 28.001 24.356 7.797 1.00 0.00 C ATOM 0 H VAL A 17 28.538 25.492 4.858 1.00 0.00 H new ATOM 0 HA VAL A 17 30.521 23.419 5.639 1.00 0.00 H new ATOM 0 HB VAL A 17 29.914 23.367 7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 17 30.156 25.702 8.756 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.274 25.383 7.408 1.00 0.00 H new ATOM 0 HG13 VAL A 17 29.787 26.320 7.128 1.00 0.00 H new ATOM 0 HG21 VAL A 17 27.954 24.567 8.865 1.00 0.00 H new ATOM 0 HG22 VAL A 17 27.546 25.178 7.245 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.460 23.434 7.585 1.00 0.00 H new ATOM 287 N GLU A 18 28.406 21.792 6.032 1.00 0.00 N ATOM 288 CA GLU A 18 27.338 20.795 5.730 1.00 0.00 C ATOM 289 C GLU A 18 26.474 20.629 6.987 1.00 0.00 C ATOM 290 O GLU A 18 26.949 20.804 8.090 1.00 0.00 O ATOM 291 CB GLU A 18 27.997 19.456 5.380 1.00 0.00 C ATOM 292 CG GLU A 18 28.636 19.549 3.992 1.00 0.00 C ATOM 293 CD GLU A 18 29.381 18.249 3.684 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.096 17.779 4.554 1.00 0.00 O ATOM 295 OE2 GLU A 18 29.223 17.745 2.584 1.00 0.00 O ATOM 0 H GLU A 18 29.090 21.484 6.723 1.00 0.00 H new ATOM 0 HA GLU A 18 26.723 21.126 4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.753 19.205 6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 18 27.255 18.658 5.398 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.869 19.728 3.238 1.00 0.00 H new ATOM 0 HG3 GLU A 18 29.325 20.393 3.953 1.00 0.00 H new ATOM 302 N PRO A 19 25.221 20.288 6.841 1.00 0.00 N ATOM 303 CA PRO A 19 24.310 20.097 8.012 1.00 0.00 C ATOM 304 C PRO A 19 24.748 18.898 8.854 1.00 0.00 C ATOM 305 O PRO A 19 24.558 18.857 10.054 1.00 0.00 O ATOM 306 CB PRO A 19 22.945 19.839 7.360 1.00 0.00 C ATOM 307 CG PRO A 19 23.291 19.262 6.032 1.00 0.00 C ATOM 308 CD PRO A 19 24.520 20.033 5.573 1.00 0.00 C ATOM 0 HA PRO A 19 24.304 20.949 8.691 1.00 0.00 H new ATOM 0 HB2 PRO A 19 22.343 19.149 7.951 1.00 0.00 H new ATOM 0 HB3 PRO A 19 22.369 20.759 7.259 1.00 0.00 H new ATOM 0 HG2 PRO A 19 23.501 18.195 6.108 1.00 0.00 H new ATOM 0 HG3 PRO A 19 22.468 19.376 5.326 1.00 0.00 H new ATOM 0 HD2 PRO A 19 25.130 19.452 4.881 1.00 0.00 H new ATOM 0 HD3 PRO A 19 24.253 20.958 5.063 1.00 0.00 H new ATOM 316 N SER A 20 25.338 17.920 8.223 1.00 0.00 N ATOM 317 CA SER A 20 25.800 16.718 8.965 1.00 0.00 C ATOM 318 C SER A 20 27.187 16.991 9.544 1.00 0.00 C ATOM 319 O SER A 20 27.809 16.122 10.122 1.00 0.00 O ATOM 320 CB SER A 20 25.874 15.528 8.006 1.00 0.00 C ATOM 321 OG SER A 20 26.277 14.370 8.724 1.00 0.00 O ATOM 0 H SER A 20 25.520 17.904 7.219 1.00 0.00 H new ATOM 0 HA SER A 20 25.103 16.491 9.772 1.00 0.00 H new ATOM 0 HB2 SER A 20 24.903 15.361 7.540 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.581 15.737 7.203 1.00 0.00 H new ATOM 0 HG SER A 20 26.935 14.620 9.406 1.00 0.00 H new ATOM 327 N ASP A 21 27.684 18.194 9.398 1.00 0.00 N ATOM 328 CA ASP A 21 29.036 18.497 9.953 1.00 0.00 C ATOM 329 C ASP A 21 28.960 18.476 11.482 1.00 0.00 C ATOM 330 O ASP A 21 27.958 18.846 12.071 1.00 0.00 O ATOM 331 CB ASP A 21 29.517 19.880 9.464 1.00 0.00 C ATOM 332 CG ASP A 21 31.050 19.925 9.445 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.650 18.935 9.059 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.597 20.951 9.813 1.00 0.00 O ATOM 0 H ASP A 21 27.219 18.969 8.925 1.00 0.00 H new ATOM 0 HA ASP A 21 29.748 17.746 9.610 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.127 20.078 8.466 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.130 20.661 10.118 1.00 0.00 H new ATOM 339 N THR A 22 30.010 18.043 12.132 1.00 0.00 N ATOM 340 CA THR A 22 30.000 17.994 13.624 1.00 0.00 C ATOM 341 C THR A 22 30.572 19.299 14.177 1.00 0.00 C ATOM 342 O THR A 22 31.431 19.910 13.576 1.00 0.00 O ATOM 343 CB THR A 22 30.853 16.818 14.104 1.00 0.00 C ATOM 344 OG1 THR A 22 32.194 17.001 13.672 1.00 0.00 O ATOM 345 CG2 THR A 22 30.301 15.514 13.528 1.00 0.00 C ATOM 0 H THR A 22 30.873 17.722 11.694 1.00 0.00 H new ATOM 0 HA THR A 22 28.977 17.865 13.977 1.00 0.00 H new ATOM 0 HB THR A 22 30.825 16.769 15.193 1.00 0.00 H new ATOM 0 HG1 THR A 22 32.344 16.495 12.846 1.00 0.00 H new ATOM 0 HG21 THR A 22 30.910 14.678 13.871 1.00 0.00 H new ATOM 0 HG22 THR A 22 29.273 15.375 13.862 1.00 0.00 H new ATOM 0 HG23 THR A 22 30.326 15.558 12.439 1.00 0.00 H new ATOM 353 N ILE A 23 30.108 19.737 15.316 1.00 0.00 N ATOM 354 CA ILE A 23 30.638 21.007 15.888 1.00 0.00 C ATOM 355 C ILE A 23 32.168 20.951 15.899 1.00 0.00 C ATOM 356 O ILE A 23 32.836 21.915 15.595 1.00 0.00 O ATOM 357 CB ILE A 23 30.126 21.189 17.320 1.00 0.00 C ATOM 358 CG1 ILE A 23 28.607 20.971 17.372 1.00 0.00 C ATOM 359 CG2 ILE A 23 30.454 22.605 17.799 1.00 0.00 C ATOM 360 CD1 ILE A 23 27.915 21.818 16.299 1.00 0.00 C ATOM 0 H ILE A 23 29.389 19.274 15.872 1.00 0.00 H new ATOM 0 HA ILE A 23 30.301 21.846 15.280 1.00 0.00 H new ATOM 0 HB ILE A 23 30.611 20.458 17.967 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.378 19.917 17.217 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.227 21.238 18.358 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.091 22.738 18.818 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.533 22.756 17.776 1.00 0.00 H new ATOM 0 HG23 ILE A 23 29.972 23.331 17.145 1.00 0.00 H new ATOM 0 HD11 ILE A 23 26.838 21.655 16.345 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.130 22.872 16.473 1.00 0.00 H new ATOM 0 HD13 ILE A 23 28.283 21.530 15.314 1.00 0.00 H new ATOM 372 N GLU A 24 32.725 19.822 16.241 1.00 0.00 N ATOM 373 CA GLU A 24 34.209 19.693 16.265 1.00 0.00 C ATOM 374 C GLU A 24 34.764 20.000 14.875 1.00 0.00 C ATOM 375 O GLU A 24 35.738 20.711 14.717 1.00 0.00 O ATOM 376 CB GLU A 24 34.576 18.257 16.646 1.00 0.00 C ATOM 377 CG GLU A 24 36.052 18.186 17.040 1.00 0.00 C ATOM 378 CD GLU A 24 36.427 16.736 17.353 1.00 0.00 C ATOM 379 OE1 GLU A 24 36.299 16.347 18.502 1.00 0.00 O ATOM 380 OE2 GLU A 24 36.833 16.039 16.438 1.00 0.00 O ATOM 0 H GLU A 24 32.214 18.980 16.506 1.00 0.00 H new ATOM 0 HA GLU A 24 34.630 20.390 16.990 1.00 0.00 H new ATOM 0 HB2 GLU A 24 33.953 17.920 17.474 1.00 0.00 H new ATOM 0 HB3 GLU A 24 34.381 17.588 15.808 1.00 0.00 H new ATOM 0 HG2 GLU A 24 36.674 18.567 16.230 1.00 0.00 H new ATOM 0 HG3 GLU A 24 36.238 18.817 17.909 1.00 0.00 H new ATOM 387 N ASN A 25 34.136 19.476 13.863 1.00 0.00 N ATOM 388 CA ASN A 25 34.610 19.737 12.473 1.00 0.00 C ATOM 389 C ASN A 25 34.347 21.199 12.115 1.00 0.00 C ATOM 390 O ASN A 25 35.128 21.835 11.434 1.00 0.00 O ATOM 391 CB ASN A 25 33.861 18.830 11.490 1.00 0.00 C ATOM 392 CG ASN A 25 34.336 17.386 11.665 1.00 0.00 C ATOM 393 OD1 ASN A 25 33.535 16.482 11.796 1.00 0.00 O ATOM 394 ND2 ASN A 25 35.615 17.131 11.673 1.00 0.00 N ATOM 0 H ASN A 25 33.314 18.877 13.936 1.00 0.00 H new ATOM 0 HA ASN A 25 35.678 19.529 12.411 1.00 0.00 H new ATOM 0 HB2 ASN A 25 32.787 18.895 11.665 1.00 0.00 H new ATOM 0 HB3 ASN A 25 34.038 19.161 10.467 1.00 0.00 H new ATOM 0 HD21 ASN A 25 35.943 16.172 11.789 1.00 0.00 H new ATOM 0 HD22 ASN A 25 36.287 17.890 11.563 1.00 0.00 H new ATOM 401 N VAL A 26 33.248 21.736 12.566 1.00 0.00 N ATOM 402 CA VAL A 26 32.929 23.156 12.248 1.00 0.00 C ATOM 403 C VAL A 26 33.909 24.078 12.979 1.00 0.00 C ATOM 404 O VAL A 26 34.265 25.131 12.486 1.00 0.00 O ATOM 405 CB VAL A 26 31.495 23.471 12.684 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.152 24.910 12.302 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.520 22.520 11.981 1.00 0.00 C ATOM 0 H VAL A 26 32.557 21.254 13.141 1.00 0.00 H new ATOM 0 HA VAL A 26 33.020 23.316 11.174 1.00 0.00 H new ATOM 0 HB VAL A 26 31.413 23.345 13.764 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.132 25.135 12.612 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.841 25.593 12.799 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.238 25.030 11.222 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.501 22.747 12.294 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.605 22.645 10.901 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.760 21.491 12.247 1.00 0.00 H new ATOM 417 N LYS A 27 34.357 23.691 14.146 1.00 0.00 N ATOM 418 CA LYS A 27 35.321 24.544 14.895 1.00 0.00 C ATOM 419 C LYS A 27 36.650 24.498 14.154 1.00 0.00 C ATOM 420 O LYS A 27 37.396 25.456 14.112 1.00 0.00 O ATOM 421 CB LYS A 27 35.503 23.987 16.314 1.00 0.00 C ATOM 422 CG LYS A 27 34.332 24.420 17.198 1.00 0.00 C ATOM 423 CD LYS A 27 34.473 23.771 18.577 1.00 0.00 C ATOM 424 CE LYS A 27 33.493 24.421 19.555 1.00 0.00 C ATOM 425 NZ LYS A 27 33.597 23.749 20.882 1.00 0.00 N ATOM 0 H LYS A 27 34.096 22.821 14.610 1.00 0.00 H new ATOM 0 HA LYS A 27 34.956 25.569 14.964 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.563 22.899 16.282 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.441 24.346 16.737 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.316 25.506 17.294 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.387 24.126 16.740 1.00 0.00 H new ATOM 0 HD2 LYS A 27 34.277 22.701 18.508 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.494 23.885 18.941 1.00 0.00 H new ATOM 0 HE2 LYS A 27 33.713 25.484 19.655 1.00 0.00 H new ATOM 0 HE3 LYS A 27 32.475 24.341 19.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 32.692 23.835 21.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 33.823 22.743 20.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 34.349 24.200 21.441 1.00 0.00 H new ATOM 439 N ALA A 28 36.927 23.382 13.550 1.00 0.00 N ATOM 440 CA ALA A 28 38.182 23.235 12.777 1.00 0.00 C ATOM 441 C ALA A 28 38.169 24.251 11.631 1.00 0.00 C ATOM 442 O ALA A 28 39.144 24.927 11.365 1.00 0.00 O ATOM 443 CB ALA A 28 38.237 21.811 12.223 1.00 0.00 C ATOM 0 H ALA A 28 36.329 22.556 13.560 1.00 0.00 H new ATOM 0 HA ALA A 28 39.055 23.415 13.404 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.154 21.679 11.649 1.00 0.00 H new ATOM 0 HB2 ALA A 28 38.220 21.099 13.048 1.00 0.00 H new ATOM 0 HB3 ALA A 28 37.377 21.639 11.577 1.00 0.00 H new ATOM 449 N LYS A 29 37.055 24.354 10.958 1.00 0.00 N ATOM 450 CA LYS A 29 36.940 25.316 9.827 1.00 0.00 C ATOM 451 C LYS A 29 37.208 26.734 10.336 1.00 0.00 C ATOM 452 O LYS A 29 37.956 27.487 9.746 1.00 0.00 O ATOM 453 CB LYS A 29 35.526 25.254 9.247 1.00 0.00 C ATOM 454 CG LYS A 29 35.260 23.859 8.681 1.00 0.00 C ATOM 455 CD LYS A 29 33.808 23.775 8.203 1.00 0.00 C ATOM 456 CE LYS A 29 33.464 22.325 7.864 1.00 0.00 C ATOM 457 NZ LYS A 29 34.237 21.898 6.664 1.00 0.00 N ATOM 0 H LYS A 29 36.214 23.808 11.146 1.00 0.00 H new ATOM 0 HA LYS A 29 37.666 25.057 9.057 1.00 0.00 H new ATOM 0 HB2 LYS A 29 34.795 25.488 10.021 1.00 0.00 H new ATOM 0 HB3 LYS A 29 35.411 26.003 8.463 1.00 0.00 H new ATOM 0 HG2 LYS A 29 35.940 23.654 7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.448 23.103 9.443 1.00 0.00 H new ATOM 0 HD2 LYS A 29 33.137 24.147 8.977 1.00 0.00 H new ATOM 0 HD3 LYS A 29 33.666 24.408 7.327 1.00 0.00 H new ATOM 0 HE2 LYS A 29 33.697 21.678 8.709 1.00 0.00 H new ATOM 0 HE3 LYS A 29 32.395 22.229 7.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 33.894 20.970 6.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 34.112 22.596 5.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 35.246 21.829 6.907 1.00 0.00 H new ATOM 471 N ILE A 30 36.597 27.104 11.427 1.00 0.00 N ATOM 472 CA ILE A 30 36.811 28.475 11.971 1.00 0.00 C ATOM 473 C ILE A 30 38.264 28.628 12.419 1.00 0.00 C ATOM 474 O ILE A 30 38.876 29.661 12.232 1.00 0.00 O ATOM 475 CB ILE A 30 35.885 28.699 13.166 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.429 28.594 12.702 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.135 30.096 13.748 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.505 28.532 13.920 1.00 0.00 C ATOM 0 H ILE A 30 35.959 26.517 11.965 1.00 0.00 H new ATOM 0 HA ILE A 30 36.591 29.210 11.196 1.00 0.00 H new ATOM 0 HB ILE A 30 36.082 27.946 13.929 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.172 29.452 12.081 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.296 27.704 12.087 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.476 30.258 14.601 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.173 30.175 14.072 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.934 30.849 12.986 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.470 28.457 13.588 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.756 27.660 14.523 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.630 29.435 14.518 1.00 0.00 H new ATOM 490 N GLN A 31 38.814 27.610 13.019 1.00 0.00 N ATOM 491 CA GLN A 31 40.223 27.687 13.492 1.00 0.00 C ATOM 492 C GLN A 31 41.160 27.930 12.306 1.00 0.00 C ATOM 493 O GLN A 31 42.039 28.765 12.359 1.00 0.00 O ATOM 494 CB GLN A 31 40.593 26.365 14.170 1.00 0.00 C ATOM 495 CG GLN A 31 41.945 26.501 14.874 1.00 0.00 C ATOM 496 CD GLN A 31 42.281 25.188 15.584 1.00 0.00 C ATOM 497 OE1 GLN A 31 41.604 24.195 15.402 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.304 25.139 16.393 1.00 0.00 N ATOM 0 H GLN A 31 38.345 26.723 13.203 1.00 0.00 H new ATOM 0 HA GLN A 31 40.324 28.510 14.199 1.00 0.00 H new ATOM 0 HB2 GLN A 31 39.824 26.088 14.891 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.638 25.566 13.429 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.722 26.745 14.150 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.912 27.319 15.594 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.873 25.971 16.547 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.535 24.268 16.872 1.00 0.00 H new ATOM 507 N ASP A 32 40.994 27.193 11.243 1.00 0.00 N ATOM 508 CA ASP A 32 41.892 27.365 10.065 1.00 0.00 C ATOM 509 C ASP A 32 41.551 28.649 9.298 1.00 0.00 C ATOM 510 O ASP A 32 42.371 29.180 8.577 1.00 0.00 O ATOM 511 CB ASP A 32 41.731 26.162 9.132 1.00 0.00 C ATOM 512 CG ASP A 32 42.103 24.881 9.881 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.206 24.821 10.400 1.00 0.00 O ATOM 514 OD2 ASP A 32 41.279 23.982 9.923 1.00 0.00 O ATOM 0 H ASP A 32 40.274 26.478 11.138 1.00 0.00 H new ATOM 0 HA ASP A 32 42.921 27.436 10.418 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.703 26.101 8.774 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.367 26.281 8.255 1.00 0.00 H new ATOM 519 N LYS A 33 40.346 29.140 9.416 1.00 0.00 N ATOM 520 CA LYS A 33 39.968 30.374 8.658 1.00 0.00 C ATOM 521 C LYS A 33 40.379 31.643 9.418 1.00 0.00 C ATOM 522 O LYS A 33 41.016 32.518 8.865 1.00 0.00 O ATOM 523 CB LYS A 33 38.450 30.383 8.433 1.00 0.00 C ATOM 524 CG LYS A 33 38.043 29.226 7.496 1.00 0.00 C ATOM 525 CD LYS A 33 38.149 29.664 6.028 1.00 0.00 C ATOM 526 CE LYS A 33 37.977 28.445 5.119 1.00 0.00 C ATOM 527 NZ LYS A 33 39.122 27.511 5.316 1.00 0.00 N ATOM 0 H LYS A 33 39.609 28.745 10.000 1.00 0.00 H new ATOM 0 HA LYS A 33 40.492 30.365 7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.933 30.286 9.388 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.145 31.336 8.000 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.686 28.364 7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 33 37.022 28.913 7.716 1.00 0.00 H new ATOM 0 HD2 LYS A 33 37.386 30.409 5.804 1.00 0.00 H new ATOM 0 HD3 LYS A 33 39.116 30.133 5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.038 27.939 5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.926 28.760 4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 39.261 26.946 4.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 39.985 28.057 5.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 38.920 26.878 6.116 1.00 0.00 H new ATOM 541 N GLU A 34 40.014 31.772 10.670 1.00 0.00 N ATOM 542 CA GLU A 34 40.384 33.011 11.430 1.00 0.00 C ATOM 543 C GLU A 34 41.725 32.806 12.140 1.00 0.00 C ATOM 544 O GLU A 34 42.434 33.750 12.428 1.00 0.00 O ATOM 545 CB GLU A 34 39.294 33.331 12.463 1.00 0.00 C ATOM 546 CG GLU A 34 39.391 34.805 12.873 1.00 0.00 C ATOM 547 CD GLU A 34 38.538 35.049 14.119 1.00 0.00 C ATOM 548 OE1 GLU A 34 37.616 34.281 14.342 1.00 0.00 O ATOM 549 OE2 GLU A 34 38.819 36.001 14.828 1.00 0.00 O ATOM 0 H GLU A 34 39.480 31.081 11.197 1.00 0.00 H new ATOM 0 HA GLU A 34 40.473 33.844 10.732 1.00 0.00 H new ATOM 0 HB2 GLU A 34 38.309 33.124 12.044 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.409 32.691 13.338 1.00 0.00 H new ATOM 0 HG2 GLU A 34 40.429 35.069 13.073 1.00 0.00 H new ATOM 0 HG3 GLU A 34 39.051 35.443 12.057 1.00 0.00 H new ATOM 556 N GLY A 35 42.089 31.582 12.408 1.00 0.00 N ATOM 557 CA GLY A 35 43.396 31.319 13.079 1.00 0.00 C ATOM 558 C GLY A 35 43.267 31.449 14.602 1.00 0.00 C ATOM 559 O GLY A 35 44.243 31.341 15.318 1.00 0.00 O ATOM 0 H GLY A 35 41.538 30.751 12.192 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.745 30.318 12.824 1.00 0.00 H new ATOM 0 HA3 GLY A 35 44.145 32.021 12.712 1.00 0.00 H new ATOM 563 N ILE A 36 42.083 31.674 15.113 1.00 0.00 N ATOM 564 CA ILE A 36 41.927 31.801 16.598 1.00 0.00 C ATOM 565 C ILE A 36 41.611 30.412 17.194 1.00 0.00 C ATOM 566 O ILE A 36 40.632 29.801 16.816 1.00 0.00 O ATOM 567 CB ILE A 36 40.767 32.753 16.907 1.00 0.00 C ATOM 568 CG1 ILE A 36 40.892 34.020 16.049 1.00 0.00 C ATOM 569 CG2 ILE A 36 40.805 33.136 18.388 1.00 0.00 C ATOM 570 CD1 ILE A 36 42.302 34.609 16.176 1.00 0.00 C ATOM 0 H ILE A 36 41.223 31.775 14.574 1.00 0.00 H new ATOM 0 HA ILE A 36 42.848 32.191 17.031 1.00 0.00 H new ATOM 0 HB ILE A 36 39.823 32.257 16.680 1.00 0.00 H new ATOM 0 HG12 ILE A 36 40.681 33.784 15.006 1.00 0.00 H new ATOM 0 HG13 ILE A 36 40.153 34.756 16.365 1.00 0.00 H new ATOM 0 HG21 ILE A 36 39.980 33.813 18.610 1.00 0.00 H new ATOM 0 HG22 ILE A 36 40.711 32.238 18.999 1.00 0.00 H new ATOM 0 HG23 ILE A 36 41.751 33.630 18.612 1.00 0.00 H new ATOM 0 HD11 ILE A 36 42.378 35.507 15.563 1.00 0.00 H new ATOM 0 HD12 ILE A 36 42.498 34.863 17.218 1.00 0.00 H new ATOM 0 HD13 ILE A 36 43.034 33.876 15.838 1.00 0.00 H new ATOM 582 N PRO A 37 42.412 29.898 18.117 1.00 0.00 N ATOM 583 CA PRO A 37 42.148 28.556 18.727 1.00 0.00 C ATOM 584 C PRO A 37 40.685 28.400 19.194 1.00 0.00 C ATOM 585 O PRO A 37 40.041 29.362 19.565 1.00 0.00 O ATOM 586 CB PRO A 37 43.100 28.510 19.931 1.00 0.00 C ATOM 587 CG PRO A 37 44.236 29.407 19.560 1.00 0.00 C ATOM 588 CD PRO A 37 43.644 30.505 18.668 1.00 0.00 C ATOM 0 HA PRO A 37 42.308 27.750 18.011 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.605 28.855 20.839 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.445 27.494 20.122 1.00 0.00 H new ATOM 0 HG2 PRO A 37 44.699 29.836 20.449 1.00 0.00 H new ATOM 0 HG3 PRO A 37 45.012 28.853 19.032 1.00 0.00 H new ATOM 0 HD2 PRO A 37 43.423 31.407 19.239 1.00 0.00 H new ATOM 0 HD3 PRO A 37 44.336 30.791 17.876 1.00 0.00 H new ATOM 596 N PRO A 38 40.162 27.196 19.182 1.00 0.00 N ATOM 597 CA PRO A 38 38.754 26.925 19.607 1.00 0.00 C ATOM 598 C PRO A 38 38.552 27.106 21.115 1.00 0.00 C ATOM 599 O PRO A 38 37.476 27.439 21.569 1.00 0.00 O ATOM 600 CB PRO A 38 38.534 25.465 19.195 1.00 0.00 C ATOM 601 CG PRO A 38 39.891 24.872 19.283 1.00 0.00 C ATOM 602 CD PRO A 38 40.840 25.953 18.777 1.00 0.00 C ATOM 0 HA PRO A 38 38.048 27.618 19.150 1.00 0.00 H new ATOM 0 HB2 PRO A 38 37.832 24.962 19.860 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.128 25.389 18.186 1.00 0.00 H new ATOM 0 HG2 PRO A 38 40.130 24.588 20.308 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.965 23.969 18.677 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.829 25.866 19.227 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.976 25.899 17.697 1.00 0.00 H new ATOM 610 N ASP A 39 39.575 26.891 21.894 1.00 0.00 N ATOM 611 CA ASP A 39 39.431 27.052 23.366 1.00 0.00 C ATOM 612 C ASP A 39 39.358 28.538 23.712 1.00 0.00 C ATOM 613 O ASP A 39 39.174 28.905 24.856 1.00 0.00 O ATOM 614 CB ASP A 39 40.634 26.423 24.071 1.00 0.00 C ATOM 615 CG ASP A 39 40.381 26.384 25.579 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.394 25.788 25.979 1.00 0.00 O ATOM 617 OD2 ASP A 39 41.178 26.951 26.308 1.00 0.00 O ATOM 0 H ASP A 39 40.503 26.611 21.575 1.00 0.00 H new ATOM 0 HA ASP A 39 38.518 26.556 23.696 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.803 25.414 23.694 1.00 0.00 H new ATOM 0 HB3 ASP A 39 41.535 26.998 23.858 1.00 0.00 H new ATOM 622 N GLN A 40 39.495 29.401 22.734 1.00 0.00 N ATOM 623 CA GLN A 40 39.428 30.868 23.008 1.00 0.00 C ATOM 624 C GLN A 40 38.052 31.405 22.606 1.00 0.00 C ATOM 625 O GLN A 40 37.744 32.558 22.831 1.00 0.00 O ATOM 626 CB GLN A 40 40.501 31.586 22.187 1.00 0.00 C ATOM 627 CG GLN A 40 41.887 31.216 22.719 1.00 0.00 C ATOM 628 CD GLN A 40 42.089 31.848 24.097 1.00 0.00 C ATOM 629 OE1 GLN A 40 42.113 33.056 24.227 1.00 0.00 O ATOM 630 NE2 GLN A 40 42.234 31.077 25.140 1.00 0.00 N ATOM 0 H GLN A 40 39.650 29.151 21.757 1.00 0.00 H new ATOM 0 HA GLN A 40 39.593 31.043 24.071 1.00 0.00 H new ATOM 0 HB2 GLN A 40 40.417 31.307 21.137 1.00 0.00 H new ATOM 0 HB3 GLN A 40 40.355 32.665 22.243 1.00 0.00 H new ATOM 0 HG2 GLN A 40 41.985 30.133 22.786 1.00 0.00 H new ATOM 0 HG3 GLN A 40 42.657 31.564 22.031 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.214 30.063 25.031 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.367 31.488 26.064 1.00 0.00 H new ATOM 639 N GLN A 41 37.224 30.585 21.997 1.00 0.00 N ATOM 640 CA GLN A 41 35.870 31.063 21.565 1.00 0.00 C ATOM 641 C GLN A 41 34.796 30.029 21.893 1.00 0.00 C ATOM 642 O GLN A 41 35.052 28.845 22.001 1.00 0.00 O ATOM 643 CB GLN A 41 35.877 31.312 20.063 1.00 0.00 C ATOM 644 CG GLN A 41 36.918 32.381 19.737 1.00 0.00 C ATOM 645 CD GLN A 41 36.863 32.699 18.245 1.00 0.00 C ATOM 646 OE1 GLN A 41 36.741 31.809 17.427 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.946 33.939 17.852 1.00 0.00 N ATOM 0 H GLN A 41 37.427 29.609 21.782 1.00 0.00 H new ATOM 0 HA GLN A 41 35.644 31.985 22.101 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.106 30.389 19.530 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.890 31.635 19.731 1.00 0.00 H new ATOM 0 HG2 GLN A 41 36.726 33.282 20.320 1.00 0.00 H new ATOM 0 HG3 GLN A 41 37.914 32.031 20.010 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.048 34.686 18.539 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.909 34.162 16.857 1.00 0.00 H new ATOM 656 N ARG A 42 33.585 30.502 22.069 1.00 0.00 N ATOM 657 CA ARG A 42 32.429 29.616 22.413 1.00 0.00 C ATOM 658 C ARG A 42 31.284 29.934 21.445 1.00 0.00 C ATOM 659 O ARG A 42 30.840 31.062 21.345 1.00 0.00 O ATOM 660 CB ARG A 42 32.027 29.887 23.870 1.00 0.00 C ATOM 661 CG ARG A 42 33.274 29.617 24.733 1.00 0.00 C ATOM 662 CD ARG A 42 33.139 30.102 26.190 1.00 0.00 C ATOM 663 NE ARG A 42 31.746 30.507 26.545 1.00 0.00 N ATOM 664 CZ ARG A 42 31.546 31.242 27.625 1.00 0.00 C ATOM 665 NH1 ARG A 42 30.334 31.399 28.114 1.00 0.00 N ATOM 666 NH2 ARG A 42 32.559 31.861 28.184 1.00 0.00 N ATOM 0 H ARG A 42 33.345 31.490 21.986 1.00 0.00 H new ATOM 0 HA ARG A 42 32.685 28.561 22.318 1.00 0.00 H new ATOM 0 HB2 ARG A 42 31.687 30.915 23.992 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.202 29.241 24.170 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.479 28.546 24.734 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.134 30.106 24.275 1.00 0.00 H new ATOM 0 HD2 ARG A 42 33.463 29.308 26.863 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.809 30.947 26.349 1.00 0.00 H new ATOM 0 HE ARG A 42 30.960 30.220 25.962 1.00 0.00 H new ATOM 0 HH11 ARG A 42 29.538 30.951 27.659 1.00 0.00 H new ATOM 0 HH12 ARG A 42 30.190 31.968 28.948 1.00 0.00 H new ATOM 0 HH21 ARG A 42 33.494 31.773 27.785 1.00 0.00 H new ATOM 0 HH22 ARG A 42 32.412 32.430 29.018 1.00 0.00 H new ATOM 680 N LEU A 43 30.832 28.964 20.695 1.00 0.00 N ATOM 681 CA LEU A 43 29.751 29.232 19.696 1.00 0.00 C ATOM 682 C LEU A 43 28.364 29.109 20.332 1.00 0.00 C ATOM 683 O LEU A 43 28.005 28.084 20.880 1.00 0.00 O ATOM 684 CB LEU A 43 29.866 28.229 18.550 1.00 0.00 C ATOM 685 CG LEU A 43 31.320 28.162 18.071 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.420 27.214 16.873 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.796 29.564 17.660 1.00 0.00 C ATOM 0 H LEU A 43 31.162 28.000 20.729 1.00 0.00 H new ATOM 0 HA LEU A 43 29.871 30.250 19.326 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.535 27.244 18.880 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.215 28.525 17.728 1.00 0.00 H new ATOM 0 HG LEU A 43 31.950 27.792 18.880 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.454 27.166 16.532 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.089 26.218 17.168 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.788 27.582 16.064 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.830 29.512 17.320 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.167 29.940 16.853 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.729 30.236 18.515 1.00 0.00 H new ATOM 699 N ILE A 44 27.580 30.159 20.246 1.00 0.00 N ATOM 700 CA ILE A 44 26.198 30.147 20.820 1.00 0.00 C ATOM 701 C ILE A 44 25.179 30.311 19.684 1.00 0.00 C ATOM 702 O ILE A 44 25.314 31.164 18.825 1.00 0.00 O ATOM 703 CB ILE A 44 26.044 31.311 21.807 1.00 0.00 C ATOM 704 CG1 ILE A 44 26.919 31.066 23.049 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.579 31.420 22.244 1.00 0.00 C ATOM 706 CD1 ILE A 44 28.416 31.199 22.715 1.00 0.00 C ATOM 0 H ILE A 44 27.845 31.035 19.796 1.00 0.00 H new ATOM 0 HA ILE A 44 26.026 29.204 21.338 1.00 0.00 H new ATOM 0 HB ILE A 44 26.357 32.234 21.318 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.654 31.779 23.829 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.720 30.071 23.446 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.469 32.247 22.945 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.951 31.599 21.371 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.273 30.492 22.727 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.007 31.020 23.614 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.685 30.468 21.952 1.00 0.00 H new ATOM 0 HD13 ILE A 44 28.618 32.203 22.342 1.00 0.00 H new ATOM 718 N PHE A 45 24.149 29.507 19.682 1.00 0.00 N ATOM 719 CA PHE A 45 23.105 29.616 18.618 1.00 0.00 C ATOM 720 C PHE A 45 21.745 29.271 19.225 1.00 0.00 C ATOM 721 O PHE A 45 21.627 28.380 20.042 1.00 0.00 O ATOM 722 CB PHE A 45 23.419 28.646 17.473 1.00 0.00 C ATOM 723 CG PHE A 45 22.260 28.626 16.501 1.00 0.00 C ATOM 724 CD1 PHE A 45 22.208 29.550 15.451 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.233 27.687 16.659 1.00 0.00 C ATOM 726 CE1 PHE A 45 21.129 29.535 14.558 1.00 0.00 C ATOM 727 CE2 PHE A 45 20.155 27.672 15.766 1.00 0.00 C ATOM 728 CZ PHE A 45 20.103 28.595 14.715 1.00 0.00 C ATOM 0 H PHE A 45 23.984 28.776 20.374 1.00 0.00 H new ATOM 0 HA PHE A 45 23.090 30.632 18.223 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.332 28.952 16.962 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.595 27.645 17.867 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.000 30.274 15.329 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.273 26.975 17.470 1.00 0.00 H new ATOM 0 HE1 PHE A 45 21.088 30.248 13.748 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.363 26.948 15.888 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.272 28.582 14.025 1.00 0.00 H new ATOM 738 N ALA A 46 20.722 29.979 18.838 1.00 0.00 N ATOM 739 CA ALA A 46 19.369 29.704 19.396 1.00 0.00 C ATOM 740 C ALA A 46 19.443 29.704 20.924 1.00 0.00 C ATOM 741 O ALA A 46 18.495 29.358 21.601 1.00 0.00 O ATOM 742 CB ALA A 46 18.875 28.341 18.906 1.00 0.00 C ATOM 0 H ALA A 46 20.764 30.738 18.158 1.00 0.00 H new ATOM 0 HA ALA A 46 18.675 30.476 19.064 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.885 28.144 19.317 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.823 28.343 17.817 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.565 27.564 19.235 1.00 0.00 H new ATOM 748 N GLY A 47 20.562 30.100 21.475 1.00 0.00 N ATOM 749 CA GLY A 47 20.700 30.137 22.961 1.00 0.00 C ATOM 750 C GLY A 47 21.299 28.824 23.478 1.00 0.00 C ATOM 751 O GLY A 47 21.128 28.481 24.631 1.00 0.00 O ATOM 0 H GLY A 47 21.388 30.400 20.957 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.336 30.973 23.252 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.725 30.304 23.419 1.00 0.00 H new ATOM 755 N LYS A 48 22.015 28.092 22.648 1.00 0.00 N ATOM 756 CA LYS A 48 22.641 26.806 23.114 1.00 0.00 C ATOM 757 C LYS A 48 24.124 26.820 22.797 1.00 0.00 C ATOM 758 O LYS A 48 24.564 27.360 21.801 1.00 0.00 O ATOM 759 CB LYS A 48 22.015 25.581 22.408 1.00 0.00 C ATOM 760 CG LYS A 48 20.654 25.233 23.038 1.00 0.00 C ATOM 761 CD LYS A 48 19.535 26.024 22.350 1.00 0.00 C ATOM 762 CE LYS A 48 18.201 25.732 23.036 1.00 0.00 C ATOM 763 NZ LYS A 48 17.152 26.634 22.482 1.00 0.00 N ATOM 0 H LYS A 48 22.192 28.329 21.672 1.00 0.00 H new ATOM 0 HA LYS A 48 22.468 26.727 24.187 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.888 25.792 21.346 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.687 24.726 22.485 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.464 24.164 22.944 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.669 25.462 24.104 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.751 27.091 22.394 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.480 25.753 21.296 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.920 24.690 22.881 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.293 25.880 24.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.419 26.797 23.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.582 27.542 22.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.722 26.193 21.644 1.00 0.00 H new ATOM 777 N GLN A 49 24.891 26.195 23.637 1.00 0.00 N ATOM 778 CA GLN A 49 26.355 26.117 23.404 1.00 0.00 C ATOM 779 C GLN A 49 26.637 24.866 22.584 1.00 0.00 C ATOM 780 O GLN A 49 26.457 23.754 23.041 1.00 0.00 O ATOM 781 CB GLN A 49 27.091 26.033 24.731 1.00 0.00 C ATOM 782 CG GLN A 49 26.564 27.118 25.668 1.00 0.00 C ATOM 783 CD GLN A 49 27.466 27.215 26.900 1.00 0.00 C ATOM 784 OE1 GLN A 49 28.617 27.589 26.797 1.00 0.00 O ATOM 785 NE2 GLN A 49 26.987 26.892 28.070 1.00 0.00 N ATOM 0 H GLN A 49 24.564 25.730 24.484 1.00 0.00 H new ATOM 0 HA GLN A 49 26.696 27.006 22.874 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.948 25.049 25.178 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.162 26.160 24.575 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.534 28.077 25.150 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.542 26.887 25.970 1.00 0.00 H new ATOM 0 HE21 GLN A 49 26.020 26.578 28.156 1.00 0.00 H new ATOM 0 HE22 GLN A 49 27.579 26.954 28.898 1.00 0.00 H new ATOM 794 N LEU A 50 27.056 25.039 21.373 1.00 0.00 N ATOM 795 CA LEU A 50 27.331 23.862 20.501 1.00 0.00 C ATOM 796 C LEU A 50 28.291 22.904 21.212 1.00 0.00 C ATOM 797 O LEU A 50 29.378 23.278 21.604 1.00 0.00 O ATOM 798 CB LEU A 50 27.948 24.346 19.184 1.00 0.00 C ATOM 799 CG LEU A 50 27.153 25.544 18.648 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.630 25.880 17.233 1.00 0.00 C ATOM 801 CD2 LEU A 50 25.657 25.204 18.612 1.00 0.00 C ATOM 0 H LEU A 50 27.223 25.947 20.940 1.00 0.00 H new ATOM 0 HA LEU A 50 26.401 23.334 20.292 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.989 24.629 19.342 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.945 23.539 18.452 1.00 0.00 H new ATOM 0 HG LEU A 50 27.312 26.401 19.303 1.00 0.00 H new ATOM 0 HD11 LEU A 50 27.066 26.731 16.851 1.00 0.00 H new ATOM 0 HD12 LEU A 50 28.691 26.129 17.256 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.473 25.020 16.582 1.00 0.00 H new ATOM 0 HD21 LEU A 50 25.099 26.059 18.231 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.495 24.345 17.961 1.00 0.00 H new ATOM 0 HD23 LEU A 50 25.314 24.966 19.619 1.00 0.00 H new ATOM 813 N GLU A 51 27.894 21.665 21.390 1.00 0.00 N ATOM 814 CA GLU A 51 28.777 20.677 22.085 1.00 0.00 C ATOM 815 C GLU A 51 29.617 19.907 21.055 1.00 0.00 C ATOM 816 O GLU A 51 29.195 19.663 19.937 1.00 0.00 O ATOM 817 CB GLU A 51 27.909 19.693 22.873 1.00 0.00 C ATOM 818 CG GLU A 51 26.991 20.465 23.825 1.00 0.00 C ATOM 819 CD GLU A 51 27.833 21.173 24.889 1.00 0.00 C ATOM 820 OE1 GLU A 51 28.218 22.307 24.653 1.00 0.00 O ATOM 821 OE2 GLU A 51 28.079 20.570 25.920 1.00 0.00 O ATOM 0 H GLU A 51 26.994 21.296 21.083 1.00 0.00 H new ATOM 0 HA GLU A 51 29.445 21.207 22.764 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.314 19.089 22.188 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.540 19.007 23.437 1.00 0.00 H new ATOM 0 HG2 GLU A 51 26.403 21.194 23.268 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.286 19.783 24.300 1.00 0.00 H new ATOM 828 N ASP A 52 30.807 19.522 21.430 1.00 0.00 N ATOM 829 CA ASP A 52 31.697 18.777 20.492 1.00 0.00 C ATOM 830 C ASP A 52 31.116 17.398 20.165 1.00 0.00 C ATOM 831 O ASP A 52 30.742 16.644 21.043 1.00 0.00 O ATOM 832 CB ASP A 52 33.066 18.592 21.150 1.00 0.00 C ATOM 833 CG ASP A 52 33.579 19.939 21.664 1.00 0.00 C ATOM 834 OD1 ASP A 52 33.283 20.268 22.802 1.00 0.00 O ATOM 835 OD2 ASP A 52 34.262 20.616 20.914 1.00 0.00 O ATOM 0 H ASP A 52 31.204 19.693 22.354 1.00 0.00 H new ATOM 0 HA ASP A 52 31.786 19.348 19.568 1.00 0.00 H new ATOM 0 HB2 ASP A 52 32.991 17.882 21.974 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.771 18.173 20.432 1.00 0.00 H new ATOM 840 N GLY A 53 31.071 17.049 18.903 1.00 0.00 N ATOM 841 CA GLY A 53 30.551 15.704 18.502 1.00 0.00 C ATOM 842 C GLY A 53 29.081 15.778 18.071 1.00 0.00 C ATOM 843 O GLY A 53 28.534 14.814 17.575 1.00 0.00 O ATOM 0 H GLY A 53 31.374 17.641 18.129 1.00 0.00 H new ATOM 0 HA2 GLY A 53 31.152 15.309 17.683 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.653 15.009 19.336 1.00 0.00 H new ATOM 847 N ARG A 54 28.422 16.889 18.255 1.00 0.00 N ATOM 848 CA ARG A 54 26.986 16.977 17.854 1.00 0.00 C ATOM 849 C ARG A 54 26.882 17.446 16.405 1.00 0.00 C ATOM 850 O ARG A 54 27.778 18.076 15.892 1.00 0.00 O ATOM 851 CB ARG A 54 26.328 17.980 18.777 1.00 0.00 C ATOM 852 CG ARG A 54 24.810 18.072 18.531 1.00 0.00 C ATOM 853 CD ARG A 54 24.150 18.763 19.747 1.00 0.00 C ATOM 854 NE ARG A 54 22.731 18.320 19.933 1.00 0.00 N ATOM 855 CZ ARG A 54 22.206 18.279 21.147 1.00 0.00 C ATOM 856 NH1 ARG A 54 20.901 18.244 21.296 1.00 0.00 N ATOM 857 NH2 ARG A 54 22.983 18.205 22.207 1.00 0.00 N ATOM 0 H ARG A 54 28.813 17.738 18.664 1.00 0.00 H new ATOM 0 HA ARG A 54 26.497 16.006 17.930 1.00 0.00 H new ATOM 0 HB2 ARG A 54 26.512 17.696 19.813 1.00 0.00 H new ATOM 0 HB3 ARG A 54 26.780 18.961 18.630 1.00 0.00 H new ATOM 0 HG2 ARG A 54 24.609 18.637 17.621 1.00 0.00 H new ATOM 0 HG3 ARG A 54 24.390 17.077 18.388 1.00 0.00 H new ATOM 0 HD2 ARG A 54 24.722 18.539 20.647 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.179 19.844 19.611 1.00 0.00 H new ATOM 0 HE ARG A 54 22.170 18.050 19.125 1.00 0.00 H new ATOM 0 HH11 ARG A 54 20.294 18.248 20.476 1.00 0.00 H new ATOM 0 HH12 ARG A 54 20.495 18.212 22.231 1.00 0.00 H new ATOM 0 HH21 ARG A 54 23.997 18.179 22.096 1.00 0.00 H new ATOM 0 HH22 ARG A 54 22.572 18.174 23.140 1.00 0.00 H new ATOM 871 N THR A 55 25.796 17.144 15.737 1.00 0.00 N ATOM 872 CA THR A 55 25.640 17.569 14.309 1.00 0.00 C ATOM 873 C THR A 55 24.800 18.845 14.214 1.00 0.00 C ATOM 874 O THR A 55 23.914 19.083 15.008 1.00 0.00 O ATOM 875 CB THR A 55 24.934 16.455 13.533 1.00 0.00 C ATOM 876 OG1 THR A 55 23.785 16.035 14.256 1.00 0.00 O ATOM 877 CG2 THR A 55 25.883 15.272 13.347 1.00 0.00 C ATOM 0 H THR A 55 25.008 16.620 16.119 1.00 0.00 H new ATOM 0 HA THR A 55 26.628 17.763 13.890 1.00 0.00 H new ATOM 0 HB THR A 55 24.634 16.829 12.554 1.00 0.00 H new ATOM 0 HG1 THR A 55 22.983 16.430 13.854 1.00 0.00 H new ATOM 0 HG21 THR A 55 25.375 14.482 12.794 1.00 0.00 H new ATOM 0 HG22 THR A 55 26.763 15.596 12.792 1.00 0.00 H new ATOM 0 HG23 THR A 55 26.188 14.894 14.323 1.00 0.00 H new ATOM 885 N LEU A 56 25.079 19.669 13.242 1.00 0.00 N ATOM 886 CA LEU A 56 24.301 20.935 13.088 1.00 0.00 C ATOM 887 C LEU A 56 22.808 20.614 12.929 1.00 0.00 C ATOM 888 O LEU A 56 21.959 21.311 13.447 1.00 0.00 O ATOM 889 CB LEU A 56 24.792 21.689 11.843 1.00 0.00 C ATOM 890 CG LEU A 56 26.142 22.380 12.128 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.889 22.599 10.810 1.00 0.00 C ATOM 892 CD2 LEU A 56 25.912 23.745 12.790 1.00 0.00 C ATOM 0 H LEU A 56 25.811 19.522 12.547 1.00 0.00 H new ATOM 0 HA LEU A 56 24.445 21.553 13.974 1.00 0.00 H new ATOM 0 HB2 LEU A 56 24.901 20.995 11.009 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.052 22.432 11.545 1.00 0.00 H new ATOM 0 HG LEU A 56 26.725 21.745 12.795 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.843 23.087 11.009 1.00 0.00 H new ATOM 0 HD12 LEU A 56 27.067 21.637 10.329 1.00 0.00 H new ATOM 0 HD13 LEU A 56 26.290 23.229 10.152 1.00 0.00 H new ATOM 0 HD21 LEU A 56 26.873 24.221 12.985 1.00 0.00 H new ATOM 0 HD22 LEU A 56 25.322 24.377 12.126 1.00 0.00 H new ATOM 0 HD23 LEU A 56 25.377 23.608 13.730 1.00 0.00 H new ATOM 904 N SER A 57 22.481 19.574 12.211 1.00 0.00 N ATOM 905 CA SER A 57 21.042 19.223 12.015 1.00 0.00 C ATOM 906 C SER A 57 20.367 19.000 13.373 1.00 0.00 C ATOM 907 O SER A 57 19.176 19.186 13.520 1.00 0.00 O ATOM 908 CB SER A 57 20.938 17.943 11.182 1.00 0.00 C ATOM 909 OG SER A 57 19.577 17.715 10.841 1.00 0.00 O ATOM 0 H SER A 57 23.146 18.952 11.751 1.00 0.00 H new ATOM 0 HA SER A 57 20.543 20.042 11.496 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.541 18.033 10.279 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.331 17.096 11.745 1.00 0.00 H new ATOM 0 HG SER A 57 19.506 16.897 10.306 1.00 0.00 H new ATOM 915 N ASP A 58 21.114 18.586 14.358 1.00 0.00 N ATOM 916 CA ASP A 58 20.503 18.335 15.694 1.00 0.00 C ATOM 917 C ASP A 58 19.952 19.647 16.255 1.00 0.00 C ATOM 918 O ASP A 58 19.159 19.653 17.175 1.00 0.00 O ATOM 919 CB ASP A 58 21.552 17.767 16.652 1.00 0.00 C ATOM 920 CG ASP A 58 21.970 16.372 16.184 1.00 0.00 C ATOM 921 OD1 ASP A 58 21.348 15.867 15.264 1.00 0.00 O ATOM 922 OD2 ASP A 58 22.902 15.831 16.756 1.00 0.00 O ATOM 0 H ASP A 58 22.117 18.411 14.297 1.00 0.00 H new ATOM 0 HA ASP A 58 19.693 17.614 15.588 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.420 18.425 16.689 1.00 0.00 H new ATOM 0 HB3 ASP A 58 21.147 17.717 17.663 1.00 0.00 H new ATOM 927 N TYR A 59 20.373 20.760 15.710 1.00 0.00 N ATOM 928 CA TYR A 59 19.888 22.085 16.207 1.00 0.00 C ATOM 929 C TYR A 59 18.816 22.644 15.261 1.00 0.00 C ATOM 930 O TYR A 59 18.298 23.721 15.478 1.00 0.00 O ATOM 931 CB TYR A 59 21.076 23.062 16.261 1.00 0.00 C ATOM 932 CG TYR A 59 21.814 22.913 17.572 1.00 0.00 C ATOM 933 CD1 TYR A 59 23.107 22.377 17.599 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.208 23.338 18.759 1.00 0.00 C ATOM 935 CE1 TYR A 59 23.789 22.264 18.818 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.887 23.220 19.975 1.00 0.00 C ATOM 937 CZ TYR A 59 23.177 22.683 20.006 1.00 0.00 C ATOM 938 OH TYR A 59 23.846 22.567 21.207 1.00 0.00 O ATOM 0 H TYR A 59 21.036 20.809 14.937 1.00 0.00 H new ATOM 0 HA TYR A 59 19.456 21.962 17.200 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.754 22.868 15.430 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.720 24.086 16.150 1.00 0.00 H new ATOM 0 HD1 TYR A 59 23.578 22.052 16.683 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.213 23.758 18.736 1.00 0.00 H new ATOM 0 HE1 TYR A 59 24.788 21.853 18.841 1.00 0.00 H new ATOM 0 HE2 TYR A 59 21.415 23.544 20.891 1.00 0.00 H new ATOM 0 HH TYR A 59 24.730 22.174 21.052 1.00 0.00 H new ATOM 948 N ASN A 60 18.475 21.937 14.217 1.00 0.00 N ATOM 949 CA ASN A 60 17.438 22.459 13.279 1.00 0.00 C ATOM 950 C ASN A 60 17.806 23.881 12.842 1.00 0.00 C ATOM 951 O ASN A 60 16.995 24.784 12.882 1.00 0.00 O ATOM 952 CB ASN A 60 16.077 22.470 13.978 1.00 0.00 C ATOM 953 CG ASN A 60 15.731 21.053 14.440 1.00 0.00 C ATOM 954 OD1 ASN A 60 16.321 20.545 15.374 1.00 0.00 O ATOM 955 ND2 ASN A 60 14.794 20.388 13.822 1.00 0.00 N ATOM 0 H ASN A 60 18.866 21.027 13.974 1.00 0.00 H new ATOM 0 HA ASN A 60 17.388 21.816 12.400 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.100 23.147 14.832 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.310 22.840 13.298 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.557 19.443 14.122 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.299 20.814 13.038 1.00 0.00 H new ATOM 962 N ILE A 61 19.026 24.081 12.422 1.00 0.00 N ATOM 963 CA ILE A 61 19.462 25.437 11.977 1.00 0.00 C ATOM 964 C ILE A 61 18.879 25.723 10.584 1.00 0.00 C ATOM 965 O ILE A 61 18.241 24.877 9.989 1.00 0.00 O ATOM 966 CB ILE A 61 20.998 25.469 11.950 1.00 0.00 C ATOM 967 CG1 ILE A 61 21.515 25.323 13.385 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.504 26.792 11.360 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.017 25.039 13.365 1.00 0.00 C ATOM 0 H ILE A 61 19.744 23.359 12.368 1.00 0.00 H new ATOM 0 HA ILE A 61 19.103 26.205 12.662 1.00 0.00 H new ATOM 0 HB ILE A 61 21.362 24.652 11.327 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.315 26.234 13.948 1.00 0.00 H new ATOM 0 HG13 ILE A 61 20.989 24.514 13.891 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.594 26.793 11.351 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.132 26.902 10.341 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.146 27.622 11.969 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.381 24.936 14.387 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.205 24.115 12.818 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.537 25.863 12.876 1.00 0.00 H new ATOM 981 N GLN A 62 19.093 26.909 10.061 1.00 0.00 N ATOM 982 CA GLN A 62 18.555 27.261 8.706 1.00 0.00 C ATOM 983 C GLN A 62 19.660 27.910 7.865 1.00 0.00 C ATOM 984 O GLN A 62 20.434 28.717 8.343 1.00 0.00 O ATOM 985 CB GLN A 62 17.392 28.244 8.858 1.00 0.00 C ATOM 986 CG GLN A 62 16.655 28.368 7.523 1.00 0.00 C ATOM 987 CD GLN A 62 15.551 29.421 7.643 1.00 0.00 C ATOM 988 OE1 GLN A 62 14.385 29.089 7.712 1.00 0.00 O ATOM 989 NE2 GLN A 62 15.873 30.685 7.670 1.00 0.00 N ATOM 0 H GLN A 62 19.621 27.653 10.518 1.00 0.00 H new ATOM 0 HA GLN A 62 18.206 26.355 8.211 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.708 27.898 9.633 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.764 29.219 9.173 1.00 0.00 H new ATOM 0 HG2 GLN A 62 17.354 28.647 6.735 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.226 27.406 7.242 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.853 30.963 7.612 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.145 31.395 7.749 1.00 0.00 H new ATOM 998 N LYS A 63 19.745 27.550 6.614 1.00 0.00 N ATOM 999 CA LYS A 63 20.802 28.126 5.736 1.00 0.00 C ATOM 1000 C LYS A 63 20.778 29.658 5.799 1.00 0.00 C ATOM 1001 O LYS A 63 19.747 30.267 5.997 1.00 0.00 O ATOM 1002 CB LYS A 63 20.564 27.671 4.292 1.00 0.00 C ATOM 1003 CG LYS A 63 19.141 28.035 3.857 1.00 0.00 C ATOM 1004 CD LYS A 63 18.840 27.376 2.507 1.00 0.00 C ATOM 1005 CE LYS A 63 17.442 27.782 2.033 1.00 0.00 C ATOM 1006 NZ LYS A 63 16.421 27.256 2.982 1.00 0.00 N ATOM 0 H LYS A 63 19.125 26.879 6.160 1.00 0.00 H new ATOM 0 HA LYS A 63 21.775 27.777 6.081 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.288 28.144 3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.714 26.594 4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.423 27.701 4.606 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.038 29.117 3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.585 27.677 1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.902 26.292 2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.369 28.868 1.970 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.258 27.391 1.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.485 27.273 2.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.661 26.278 3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.403 27.849 3.837 1.00 0.00 H new ATOM 1020 N GLU A 64 21.922 30.272 5.625 1.00 0.00 N ATOM 1021 CA GLU A 64 22.021 31.764 5.654 1.00 0.00 C ATOM 1022 C GLU A 64 21.667 32.310 7.042 1.00 0.00 C ATOM 1023 O GLU A 64 21.474 33.498 7.215 1.00 0.00 O ATOM 1024 CB GLU A 64 21.094 32.373 4.598 1.00 0.00 C ATOM 1025 CG GLU A 64 21.293 31.637 3.271 1.00 0.00 C ATOM 1026 CD GLU A 64 20.539 32.370 2.159 1.00 0.00 C ATOM 1027 OE1 GLU A 64 19.808 33.293 2.476 1.00 0.00 O ATOM 1028 OE2 GLU A 64 20.707 31.995 1.011 1.00 0.00 O ATOM 0 H GLU A 64 22.807 29.793 5.461 1.00 0.00 H new ATOM 0 HA GLU A 64 23.051 32.042 5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.055 32.294 4.919 1.00 0.00 H new ATOM 0 HB3 GLU A 64 21.310 33.434 4.475 1.00 0.00 H new ATOM 0 HG2 GLU A 64 22.355 31.582 3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.932 30.612 3.354 1.00 0.00 H new HETATM 1035 N SEP A 65 21.607 31.469 8.039 1.00 0.00 N HETATM 1036 CA SEP A 65 21.299 31.969 9.411 1.00 0.00 C HETATM 1037 CB SEP A 65 20.794 30.817 10.280 1.00 0.00 C HETATM 1038 OG SEP A 65 20.735 31.242 11.638 1.00 0.00 O HETATM 1039 C SEP A 65 22.587 32.544 10.010 1.00 0.00 C HETATM 1040 O SEP A 65 23.671 32.248 9.545 1.00 0.00 O HETATM 1041 P SEP A 65 19.502 31.998 12.164 1.00 0.00 P HETATM 1042 O1P SEP A 65 18.728 32.471 10.887 1.00 0.00 O HETATM 1043 O2P SEP A 65 18.709 30.951 13.017 1.00 0.00 O HETATM 1044 O3P SEP A 65 20.076 33.183 13.015 1.00 0.00 O HETATM 0 HB3 SEP A 65 19.807 30.498 9.944 1.00 0.00 H new HETATM 0 HB2 SEP A 65 21.457 29.957 10.185 1.00 0.00 H new HETATM 0 HA SEP A 65 20.527 32.737 9.368 1.00 0.00 H new HETATM 0 H SEP A 65 21.468 30.484 7.812 1.00 0.00 H new HETATM 1049 N TPO A 66 22.487 33.374 11.025 1.00 0.00 N HETATM 1050 CA TPO A 66 23.723 33.977 11.631 1.00 0.00 C HETATM 1051 CB TPO A 66 23.533 35.484 11.812 1.00 0.00 C HETATM 1052 CG2 TPO A 66 22.949 36.092 10.537 1.00 0.00 C HETATM 1053 OG1 TPO A 66 22.650 35.723 12.903 1.00 0.00 O HETATM 1054 P TPO A 66 22.772 37.011 13.737 1.00 0.00 P HETATM 1055 O1P TPO A 66 22.506 38.183 12.731 1.00 0.00 O HETATM 1056 O2P TPO A 66 21.677 36.889 14.851 1.00 0.00 O HETATM 1057 O3P TPO A 66 24.234 37.000 14.303 1.00 0.00 O HETATM 1058 C TPO A 66 24.014 33.356 12.999 1.00 0.00 C HETATM 1059 O TPO A 66 23.162 33.295 13.862 1.00 0.00 O HETATM 0 HG23 TPO A 66 23.629 35.913 9.704 1.00 0.00 H new HETATM 0 HG22 TPO A 66 21.984 35.632 10.323 1.00 0.00 H new HETATM 0 HG21 TPO A 66 22.816 37.165 10.673 1.00 0.00 H new HETATM 0 HB TPO A 66 24.499 35.946 12.017 1.00 0.00 H new HETATM 0 HA TPO A 66 24.558 33.780 10.959 1.00 0.00 H new HETATM 0 H TPO A 66 21.687 33.967 10.801 1.00 0.00 H new ATOM 1066 N LEU A 67 25.224 32.898 13.199 1.00 0.00 N ATOM 1067 CA LEU A 67 25.599 32.281 14.507 1.00 0.00 C ATOM 1068 C LEU A 67 26.242 33.349 15.397 1.00 0.00 C ATOM 1069 O LEU A 67 26.980 34.197 14.931 1.00 0.00 O ATOM 1070 CB LEU A 67 26.614 31.155 14.266 1.00 0.00 C ATOM 1071 CG LEU A 67 25.895 29.899 13.768 1.00 0.00 C ATOM 1072 CD1 LEU A 67 25.098 30.226 12.502 1.00 0.00 C ATOM 1073 CD2 LEU A 67 26.932 28.817 13.454 1.00 0.00 C ATOM 0 H LEU A 67 25.973 32.925 12.507 1.00 0.00 H new ATOM 0 HA LEU A 67 24.710 31.877 14.991 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.356 31.474 13.534 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.151 30.935 15.189 1.00 0.00 H new ATOM 0 HG LEU A 67 25.212 29.542 14.538 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.588 29.329 12.151 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.362 30.998 12.725 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.776 30.584 11.727 1.00 0.00 H new ATOM 0 HD21 LEU A 67 26.425 27.920 13.099 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.613 29.178 12.683 1.00 0.00 H new ATOM 0 HD23 LEU A 67 27.497 28.582 14.356 1.00 0.00 H new ATOM 1085 N HIS A 68 25.982 33.310 16.678 1.00 0.00 N ATOM 1086 CA HIS A 68 26.592 34.316 17.594 1.00 0.00 C ATOM 1087 C HIS A 68 27.920 33.771 18.101 1.00 0.00 C ATOM 1088 O HIS A 68 27.986 32.661 18.597 1.00 0.00 O ATOM 1089 CB HIS A 68 25.670 34.556 18.788 1.00 0.00 C ATOM 1090 CG HIS A 68 24.243 34.636 18.315 1.00 0.00 C ATOM 1091 ND1 HIS A 68 23.378 33.552 18.381 1.00 0.00 N ATOM 1092 CD2 HIS A 68 23.515 35.664 17.766 1.00 0.00 C ATOM 1093 CE1 HIS A 68 22.191 33.950 17.884 1.00 0.00 C ATOM 1094 NE2 HIS A 68 22.224 35.226 17.497 1.00 0.00 N ATOM 0 H HIS A 68 25.374 32.625 17.128 1.00 0.00 H new ATOM 0 HA HIS A 68 26.742 35.253 17.058 1.00 0.00 H new ATOM 0 HB2 HIS A 68 25.779 33.749 19.513 1.00 0.00 H new ATOM 0 HB3 HIS A 68 25.948 35.480 19.295 1.00 0.00 H new ATOM 0 HD1 HIS A 68 23.601 32.624 18.740 1.00 0.00 H new ATOM 0 HD2 HIS A 68 23.889 36.659 17.573 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.321 33.315 17.808 1.00 0.00 H new ATOM 1103 N LEU A 69 28.977 34.532 17.984 1.00 0.00 N ATOM 1104 CA LEU A 69 30.309 34.048 18.464 1.00 0.00 C ATOM 1105 C LEU A 69 30.748 34.862 19.680 1.00 0.00 C ATOM 1106 O LEU A 69 30.821 36.074 19.637 1.00 0.00 O ATOM 1107 CB LEU A 69 31.340 34.200 17.334 1.00 0.00 C ATOM 1108 CG LEU A 69 32.707 33.587 17.753 1.00 0.00 C ATOM 1109 CD1 LEU A 69 33.355 32.880 16.557 1.00 0.00 C ATOM 1110 CD2 LEU A 69 33.660 34.690 18.242 1.00 0.00 C ATOM 0 H LEU A 69 28.977 35.467 17.577 1.00 0.00 H new ATOM 0 HA LEU A 69 30.234 32.999 18.750 1.00 0.00 H new ATOM 0 HB2 LEU A 69 30.975 33.707 16.433 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.468 35.255 17.091 1.00 0.00 H new ATOM 0 HG LEU A 69 32.527 32.873 18.556 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.311 32.454 16.860 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.699 32.084 16.206 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.516 33.598 15.753 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.612 34.246 18.532 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.824 35.410 17.441 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.220 35.197 19.101 1.00 0.00 H new ATOM 1122 N VAL A 70 31.050 34.192 20.765 1.00 0.00 N ATOM 1123 CA VAL A 70 31.500 34.891 22.008 1.00 0.00 C ATOM 1124 C VAL A 70 32.932 34.456 22.315 1.00 0.00 C ATOM 1125 O VAL A 70 33.318 33.337 22.041 1.00 0.00 O ATOM 1126 CB VAL A 70 30.585 34.491 23.168 1.00 0.00 C ATOM 1127 CG1 VAL A 70 30.964 35.287 24.418 1.00 0.00 C ATOM 1128 CG2 VAL A 70 29.132 34.790 22.793 1.00 0.00 C ATOM 0 H VAL A 70 31.003 33.176 20.842 1.00 0.00 H new ATOM 0 HA VAL A 70 31.459 35.972 21.872 1.00 0.00 H new ATOM 0 HB VAL A 70 30.698 33.426 23.370 1.00 0.00 H new ATOM 0 HG11 VAL A 70 30.312 35.001 25.243 1.00 0.00 H new ATOM 0 HG12 VAL A 70 32.000 35.075 24.684 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.851 36.353 24.219 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.478 34.506 23.617 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.020 35.855 22.591 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.862 34.222 21.903 1.00 0.00 H new ATOM 1138 N LEU A 71 33.728 35.320 22.878 1.00 0.00 N ATOM 1139 CA LEU A 71 35.132 34.932 23.190 1.00 0.00 C ATOM 1140 C LEU A 71 35.141 34.117 24.479 1.00 0.00 C ATOM 1141 O LEU A 71 35.143 32.902 24.455 1.00 0.00 O ATOM 1142 CB LEU A 71 35.982 36.197 23.349 1.00 0.00 C ATOM 1143 CG LEU A 71 36.336 36.746 21.963 1.00 0.00 C ATOM 1144 CD1 LEU A 71 35.053 36.965 21.154 1.00 0.00 C ATOM 1145 CD2 LEU A 71 37.082 38.075 22.113 1.00 0.00 C ATOM 0 H LEU A 71 33.470 36.273 23.135 1.00 0.00 H new ATOM 0 HA LEU A 71 35.549 34.330 22.383 1.00 0.00 H new ATOM 0 HB2 LEU A 71 35.436 36.947 23.921 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.891 35.971 23.906 1.00 0.00 H new ATOM 0 HG LEU A 71 36.973 36.031 21.443 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.307 37.356 20.168 1.00 0.00 H new ATOM 0 HD12 LEU A 71 34.526 36.017 21.044 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.413 37.678 21.673 1.00 0.00 H new ATOM 0 HD21 LEU A 71 37.333 38.465 21.126 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.448 38.791 22.635 1.00 0.00 H new ATOM 0 HD23 LEU A 71 37.997 37.916 22.684 1.00 0.00 H new ATOM 1157 N ARG A 72 35.120 34.768 25.607 1.00 0.00 N ATOM 1158 CA ARG A 72 35.099 34.015 26.895 1.00 0.00 C ATOM 1159 C ARG A 72 34.370 34.810 27.970 1.00 0.00 C ATOM 1160 O ARG A 72 33.924 35.918 27.753 1.00 0.00 O ATOM 1161 CB ARG A 72 36.512 33.687 27.361 1.00 0.00 C ATOM 1162 CG ARG A 72 37.374 34.950 27.527 1.00 0.00 C ATOM 1163 CD ARG A 72 38.787 34.494 27.941 1.00 0.00 C ATOM 1164 NE ARG A 72 39.489 35.534 28.744 1.00 0.00 N ATOM 1165 CZ ARG A 72 40.575 35.201 29.412 1.00 0.00 C ATOM 1166 NH1 ARG A 72 41.322 36.126 29.970 1.00 0.00 N ATOM 1167 NH2 ARG A 72 40.889 33.932 29.548 1.00 0.00 N ATOM 0 H ARG A 72 35.116 35.784 25.695 1.00 0.00 H new ATOM 0 HA ARG A 72 34.566 33.080 26.724 1.00 0.00 H new ATOM 0 HB2 ARG A 72 36.466 33.153 28.310 1.00 0.00 H new ATOM 0 HB3 ARG A 72 36.984 33.018 26.642 1.00 0.00 H new ATOM 0 HG2 ARG A 72 37.411 35.515 26.595 1.00 0.00 H new ATOM 0 HG3 ARG A 72 36.947 35.609 28.283 1.00 0.00 H new ATOM 0 HD2 ARG A 72 38.717 33.573 28.520 1.00 0.00 H new ATOM 0 HD3 ARG A 72 39.372 34.266 27.050 1.00 0.00 H new ATOM 0 HE ARG A 72 39.134 36.490 28.776 1.00 0.00 H new ATOM 0 HH11 ARG A 72 41.063 37.109 29.888 1.00 0.00 H new ATOM 0 HH12 ARG A 72 42.161 35.861 30.486 1.00 0.00 H new ATOM 0 HH21 ARG A 72 40.294 33.213 29.138 1.00 0.00 H new ATOM 0 HH22 ARG A 72 41.728 33.667 30.064 1.00 0.00 H new ATOM 1181 N LEU A 73 34.221 34.232 29.131 1.00 0.00 N ATOM 1182 CA LEU A 73 33.491 34.930 30.223 1.00 0.00 C ATOM 1183 C LEU A 73 34.443 35.813 31.032 1.00 0.00 C ATOM 1184 O LEU A 73 35.486 35.381 31.485 1.00 0.00 O ATOM 1185 CB LEU A 73 32.848 33.888 31.152 1.00 0.00 C ATOM 1186 CG LEU A 73 32.171 34.584 32.347 1.00 0.00 C ATOM 1187 CD1 LEU A 73 31.141 35.610 31.847 1.00 0.00 C ATOM 1188 CD2 LEU A 73 31.468 33.532 33.210 1.00 0.00 C ATOM 0 H LEU A 73 34.574 33.305 29.369 1.00 0.00 H new ATOM 0 HA LEU A 73 32.721 35.562 29.781 1.00 0.00 H new ATOM 0 HB2 LEU A 73 32.113 33.302 30.600 1.00 0.00 H new ATOM 0 HB3 LEU A 73 33.607 33.192 31.510 1.00 0.00 H new ATOM 0 HG LEU A 73 32.927 35.101 32.937 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.668 36.096 32.700 1.00 0.00 H new ATOM 0 HD12 LEU A 73 31.642 36.359 31.234 1.00 0.00 H new ATOM 0 HD13 LEU A 73 30.382 35.103 31.252 1.00 0.00 H new ATOM 0 HD21 LEU A 73 30.987 34.019 34.058 1.00 0.00 H new ATOM 0 HD22 LEU A 73 30.716 33.016 32.614 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.200 32.811 33.574 1.00 0.00 H new ATOM 1200 N ARG A 74 34.058 37.041 31.243 1.00 0.00 N ATOM 1201 CA ARG A 74 34.887 37.971 32.053 1.00 0.00 C ATOM 1202 C ARG A 74 35.121 37.350 33.437 1.00 0.00 C ATOM 1203 O ARG A 74 34.226 36.761 34.007 1.00 0.00 O ATOM 1204 CB ARG A 74 34.107 39.273 32.263 1.00 0.00 C ATOM 1205 CG ARG A 74 34.006 40.107 30.963 1.00 0.00 C ATOM 1206 CD ARG A 74 34.171 41.585 31.327 1.00 0.00 C ATOM 1207 NE ARG A 74 35.590 41.720 31.762 1.00 0.00 N ATOM 1208 CZ ARG A 74 36.284 42.775 31.427 1.00 0.00 C ATOM 1209 NH1 ARG A 74 37.577 42.630 31.226 1.00 0.00 N ATOM 1210 NH2 ARG A 74 35.727 43.971 31.412 1.00 0.00 N ATOM 0 H ARG A 74 33.192 37.443 30.883 1.00 0.00 H new ATOM 0 HA ARG A 74 35.832 38.158 31.543 1.00 0.00 H new ATOM 0 HB2 ARG A 74 33.105 39.041 32.623 1.00 0.00 H new ATOM 0 HB3 ARG A 74 34.594 39.866 33.037 1.00 0.00 H new ATOM 0 HG2 ARG A 74 34.777 39.802 30.255 1.00 0.00 H new ATOM 0 HG3 ARG A 74 33.044 39.940 30.478 1.00 0.00 H new ATOM 0 HD2 ARG A 74 33.957 42.228 30.473 1.00 0.00 H new ATOM 0 HD3 ARG A 74 33.485 41.874 32.123 1.00 0.00 H new ATOM 0 HE ARG A 74 36.021 40.986 32.324 1.00 0.00 H new ATOM 0 HH11 ARG A 74 38.010 41.713 31.333 1.00 0.00 H new ATOM 0 HH12 ARG A 74 38.146 43.435 30.963 1.00 0.00 H new ATOM 0 HH21 ARG A 74 34.744 44.079 31.664 1.00 0.00 H new ATOM 0 HH22 ARG A 74 36.279 44.787 31.149 1.00 0.00 H new ATOM 1224 N GLY A 75 36.292 37.493 34.006 1.00 0.00 N ATOM 1225 CA GLY A 75 36.511 36.916 35.366 1.00 0.00 C ATOM 1226 C GLY A 75 37.963 37.103 35.809 1.00 0.00 C ATOM 1227 O GLY A 75 38.740 37.790 35.175 1.00 0.00 O ATOM 0 H GLY A 75 37.092 37.975 33.596 1.00 0.00 H new ATOM 0 HA2 GLY A 75 35.843 37.396 36.081 1.00 0.00 H new ATOM 0 HA3 GLY A 75 36.262 35.855 35.360 1.00 0.00 H new ATOM 1231 N GLY A 76 38.331 36.492 36.904 1.00 0.00 N ATOM 1232 CA GLY A 76 39.728 36.623 37.404 1.00 0.00 C ATOM 1233 C GLY A 76 39.845 35.941 38.769 1.00 0.00 C ATOM 1234 O GLY A 76 38.829 35.492 39.274 1.00 0.00 O ATOM 1235 OXT GLY A 76 40.948 35.878 39.285 1.00 0.00 O ATOM 0 H GLY A 76 37.721 35.906 37.474 1.00 0.00 H new ATOM 0 HA2 GLY A 76 40.423 36.169 36.698 1.00 0.00 H new ATOM 0 HA3 GLY A 76 39.999 37.675 37.486 1.00 0.00 H new TER 1239 GLY A 76