USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=15 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 65 SEP H : 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 62 GLN : amide:sc= 0.00792 K(o=0.015,f=-1) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -162:sc= 0.00713 (180deg=-0.132) USER MOD Set 2.1: A 55 THR OG1 : rot 126:sc= 0.259 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= -0.234 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.178 (180deg=-0.865) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 170:sc= -0.174 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.036 USER MOD Single : A 22 THR OG1 : rot -149:sc= -1.63 USER MOD Single : A 25 ASN : amide:sc= -0.673! C(o=-0.67!,f=-2.6!) USER MOD Single : A 27 LYS NZ :NH3+ 153:sc= -5.21! (180deg=-5.55!) USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= -0.019 (180deg=-0.329) USER MOD Single : A 31 GLN : amide:sc= -3 K(o=-3,f=-2.1) USER MOD Single : A 33 LYS NZ :NH3+ -121:sc= -1.82 (180deg=-4.61!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 41 GLN : amide:sc= -3.24 K(o=-3.2,f=-2.6) USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= -0.0573 (180deg=-0.544) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 59 TYR OH : rot 180:sc= -1.78! USER MOD Single : A 60 ASN : amide:sc= -0.0715 X(o=-0.072,f=-0.072) USER MOD Single : A 68 HIS : no HD1:sc= -0.0317 X(o=-0.032,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.371 27.642 3.041 1.00 0.00 N ATOM 2 CA MET A 1 27.091 28.404 3.116 1.00 0.00 C ATOM 3 C MET A 1 27.272 29.616 4.033 1.00 0.00 C ATOM 4 O MET A 1 28.263 29.740 4.724 1.00 0.00 O ATOM 5 CB MET A 1 25.991 27.500 3.678 1.00 0.00 C ATOM 6 CG MET A 1 25.843 26.262 2.792 1.00 0.00 C ATOM 7 SD MET A 1 25.270 26.762 1.148 1.00 0.00 S ATOM 8 CE MET A 1 25.314 25.121 0.385 1.00 0.00 C ATOM 0 H1 MET A 1 28.348 27.005 2.219 1.00 0.00 H new ATOM 0 H2 MET A 1 29.165 28.306 2.942 1.00 0.00 H new ATOM 0 H3 MET A 1 28.494 27.083 3.909 1.00 0.00 H new ATOM 0 HA MET A 1 26.810 28.741 2.118 1.00 0.00 H new ATOM 0 HB2 MET A 1 26.236 27.203 4.698 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.047 28.043 3.722 1.00 0.00 H new ATOM 0 HG2 MET A 1 26.797 25.741 2.714 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.135 25.564 3.239 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.992 25.194 -0.654 1.00 0.00 H new ATOM 0 HE2 MET A 1 26.330 24.729 0.423 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.646 24.450 0.926 1.00 0.00 H new ATOM 20 N GLN A 2 26.322 30.511 4.042 1.00 0.00 N ATOM 21 CA GLN A 2 26.440 31.714 4.914 1.00 0.00 C ATOM 22 C GLN A 2 26.133 31.326 6.363 1.00 0.00 C ATOM 23 O GLN A 2 24.996 31.335 6.789 1.00 0.00 O ATOM 24 CB GLN A 2 25.443 32.778 4.450 1.00 0.00 C ATOM 25 CG GLN A 2 25.776 33.203 3.018 1.00 0.00 C ATOM 26 CD GLN A 2 24.743 34.222 2.534 1.00 0.00 C ATOM 27 OE1 GLN A 2 23.810 34.542 3.243 1.00 0.00 O ATOM 28 NE2 GLN A 2 24.870 34.749 1.348 1.00 0.00 N ATOM 0 H GLN A 2 25.470 30.461 3.484 1.00 0.00 H new ATOM 0 HA GLN A 2 27.453 32.111 4.851 1.00 0.00 H new ATOM 0 HB2 GLN A 2 24.428 32.384 4.497 1.00 0.00 H new ATOM 0 HB3 GLN A 2 25.481 33.641 5.115 1.00 0.00 H new ATOM 0 HG2 GLN A 2 26.775 33.636 2.979 1.00 0.00 H new ATOM 0 HG3 GLN A 2 25.780 32.333 2.361 1.00 0.00 H new ATOM 0 HE21 GLN A 2 25.653 34.481 0.752 1.00 0.00 H new ATOM 0 HE22 GLN A 2 24.186 35.429 1.016 1.00 0.00 H new ATOM 37 N ILE A 3 27.139 30.986 7.123 1.00 0.00 N ATOM 38 CA ILE A 3 26.905 30.598 8.543 1.00 0.00 C ATOM 39 C ILE A 3 26.803 31.854 9.407 1.00 0.00 C ATOM 40 O ILE A 3 27.611 32.757 9.305 1.00 0.00 O ATOM 41 CB ILE A 3 28.064 29.735 9.039 1.00 0.00 C ATOM 42 CG1 ILE A 3 28.111 28.437 8.230 1.00 0.00 C ATOM 43 CG2 ILE A 3 27.858 29.406 10.520 1.00 0.00 C ATOM 44 CD1 ILE A 3 29.400 27.682 8.553 1.00 0.00 C ATOM 0 H ILE A 3 28.113 30.960 6.821 1.00 0.00 H new ATOM 0 HA ILE A 3 25.976 30.032 8.611 1.00 0.00 H new ATOM 0 HB ILE A 3 29.002 30.277 8.915 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.245 27.818 8.465 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.064 28.659 7.164 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.685 28.790 10.874 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.821 30.330 11.096 1.00 0.00 H new ATOM 0 HG23 ILE A 3 26.921 28.863 10.645 1.00 0.00 H new ATOM 0 HD11 ILE A 3 29.434 26.757 7.977 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.259 28.302 8.296 1.00 0.00 H new ATOM 0 HD13 ILE A 3 29.428 27.448 9.617 1.00 0.00 H new ATOM 56 N PHE A 4 25.811 31.916 10.260 1.00 0.00 N ATOM 57 CA PHE A 4 25.631 33.111 11.149 1.00 0.00 C ATOM 58 C PHE A 4 25.852 32.696 12.604 1.00 0.00 C ATOM 59 O PHE A 4 25.475 31.615 13.011 1.00 0.00 O ATOM 60 CB PHE A 4 24.204 33.644 10.992 1.00 0.00 C ATOM 61 CG PHE A 4 23.989 34.096 9.567 1.00 0.00 C ATOM 62 CD1 PHE A 4 23.512 33.194 8.611 1.00 0.00 C ATOM 63 CD2 PHE A 4 24.266 35.421 9.204 1.00 0.00 C ATOM 64 CE1 PHE A 4 23.311 33.614 7.290 1.00 0.00 C ATOM 65 CE2 PHE A 4 24.066 35.840 7.885 1.00 0.00 C ATOM 66 CZ PHE A 4 23.589 34.938 6.927 1.00 0.00 C ATOM 0 H PHE A 4 25.111 31.184 10.381 1.00 0.00 H new ATOM 0 HA PHE A 4 26.348 33.884 10.873 1.00 0.00 H new ATOM 0 HB2 PHE A 4 23.484 32.868 11.251 1.00 0.00 H new ATOM 0 HB3 PHE A 4 24.037 34.475 11.677 1.00 0.00 H new ATOM 0 HD1 PHE A 4 23.298 32.173 8.891 1.00 0.00 H new ATOM 0 HD2 PHE A 4 24.634 36.118 9.943 1.00 0.00 H new ATOM 0 HE1 PHE A 4 22.942 32.917 6.552 1.00 0.00 H new ATOM 0 HE2 PHE A 4 24.280 36.861 7.605 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.435 35.263 5.908 1.00 0.00 H new ATOM 76 N VAL A 5 26.457 33.543 13.398 1.00 0.00 N ATOM 77 CA VAL A 5 26.699 33.202 14.832 1.00 0.00 C ATOM 78 C VAL A 5 26.469 34.454 15.679 1.00 0.00 C ATOM 79 O VAL A 5 26.854 35.545 15.303 1.00 0.00 O ATOM 80 CB VAL A 5 28.143 32.718 15.005 1.00 0.00 C ATOM 81 CG1 VAL A 5 29.103 33.742 14.397 1.00 0.00 C ATOM 82 CG2 VAL A 5 28.455 32.553 16.494 1.00 0.00 C ATOM 0 H VAL A 5 26.796 34.462 13.112 1.00 0.00 H new ATOM 0 HA VAL A 5 26.019 32.412 15.149 1.00 0.00 H new ATOM 0 HB VAL A 5 28.264 31.760 14.500 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.129 33.397 14.521 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.885 33.860 13.335 1.00 0.00 H new ATOM 0 HG13 VAL A 5 28.979 34.701 14.901 1.00 0.00 H new ATOM 0 HG21 VAL A 5 29.482 32.209 16.615 1.00 0.00 H new ATOM 0 HG22 VAL A 5 28.331 33.511 17.000 1.00 0.00 H new ATOM 0 HG23 VAL A 5 27.774 31.822 16.930 1.00 0.00 H new ATOM 92 N LYS A 6 25.835 34.309 16.818 1.00 0.00 N ATOM 93 CA LYS A 6 25.563 35.489 17.703 1.00 0.00 C ATOM 94 C LYS A 6 26.294 35.315 19.034 1.00 0.00 C ATOM 95 O LYS A 6 26.411 34.223 19.554 1.00 0.00 O ATOM 96 CB LYS A 6 24.056 35.581 17.967 1.00 0.00 C ATOM 97 CG LYS A 6 23.575 34.291 18.639 1.00 0.00 C ATOM 98 CD LYS A 6 22.048 34.205 18.558 1.00 0.00 C ATOM 99 CE LYS A 6 21.422 35.325 19.393 1.00 0.00 C ATOM 100 NZ LYS A 6 19.972 35.047 19.586 1.00 0.00 N ATOM 0 H LYS A 6 25.491 33.418 17.176 1.00 0.00 H new ATOM 0 HA LYS A 6 25.913 36.398 17.213 1.00 0.00 H new ATOM 0 HB2 LYS A 6 23.839 36.438 18.604 1.00 0.00 H new ATOM 0 HB3 LYS A 6 23.521 35.737 17.030 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.024 33.426 18.151 1.00 0.00 H new ATOM 0 HG3 LYS A 6 23.895 34.271 19.681 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.724 34.288 17.520 1.00 0.00 H new ATOM 0 HD3 LYS A 6 21.709 33.235 18.921 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.922 35.396 20.359 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.556 36.284 18.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.545 35.807 20.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.501 35.000 18.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.855 34.139 20.080 1.00 0.00 H new ATOM 114 N THR A 7 26.784 36.394 19.590 1.00 0.00 N ATOM 115 CA THR A 7 27.509 36.319 20.896 1.00 0.00 C ATOM 116 C THR A 7 26.574 36.788 22.013 1.00 0.00 C ATOM 117 O THR A 7 25.455 37.191 21.767 1.00 0.00 O ATOM 118 CB THR A 7 28.738 37.228 20.848 1.00 0.00 C ATOM 119 OG1 THR A 7 28.318 38.582 20.753 1.00 0.00 O ATOM 120 CG2 THR A 7 29.594 36.871 19.632 1.00 0.00 C ATOM 0 H THR A 7 26.713 37.331 19.193 1.00 0.00 H new ATOM 0 HA THR A 7 27.824 35.293 21.085 1.00 0.00 H new ATOM 0 HB THR A 7 29.327 37.091 21.755 1.00 0.00 H new ATOM 0 HG1 THR A 7 29.088 39.173 20.884 1.00 0.00 H new ATOM 0 HG21 THR A 7 30.469 37.520 19.600 1.00 0.00 H new ATOM 0 HG22 THR A 7 29.915 35.832 19.706 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.009 37.006 18.723 1.00 0.00 H new ATOM 128 N LEU A 8 27.022 36.743 23.236 1.00 0.00 N ATOM 129 CA LEU A 8 26.153 37.192 24.361 1.00 0.00 C ATOM 130 C LEU A 8 25.842 38.681 24.194 1.00 0.00 C ATOM 131 O LEU A 8 24.799 39.156 24.595 1.00 0.00 O ATOM 132 CB LEU A 8 26.882 36.970 25.689 1.00 0.00 C ATOM 133 CG LEU A 8 27.324 35.507 25.805 1.00 0.00 C ATOM 134 CD1 LEU A 8 28.163 35.337 27.074 1.00 0.00 C ATOM 135 CD2 LEU A 8 26.094 34.587 25.874 1.00 0.00 C ATOM 0 H LEU A 8 27.950 36.416 23.506 1.00 0.00 H new ATOM 0 HA LEU A 8 25.225 36.621 24.357 1.00 0.00 H new ATOM 0 HB2 LEU A 8 27.750 37.627 25.751 1.00 0.00 H new ATOM 0 HB3 LEU A 8 26.227 37.228 26.521 1.00 0.00 H new ATOM 0 HG LEU A 8 27.916 35.238 24.930 1.00 0.00 H new ATOM 0 HD11 LEU A 8 28.481 34.298 27.163 1.00 0.00 H new ATOM 0 HD12 LEU A 8 29.040 35.982 27.019 1.00 0.00 H new ATOM 0 HD13 LEU A 8 27.566 35.610 27.944 1.00 0.00 H new ATOM 0 HD21 LEU A 8 26.419 33.550 25.956 1.00 0.00 H new ATOM 0 HD22 LEU A 8 25.492 34.849 26.744 1.00 0.00 H new ATOM 0 HD23 LEU A 8 25.497 34.709 24.970 1.00 0.00 H new ATOM 147 N THR A 9 26.741 39.421 23.604 1.00 0.00 N ATOM 148 CA THR A 9 26.498 40.879 23.410 1.00 0.00 C ATOM 149 C THR A 9 25.582 41.089 22.202 1.00 0.00 C ATOM 150 O THR A 9 25.147 42.189 21.925 1.00 0.00 O ATOM 151 CB THR A 9 27.834 41.591 23.169 1.00 0.00 C ATOM 152 OG1 THR A 9 28.722 41.301 24.240 1.00 0.00 O ATOM 153 CG2 THR A 9 27.608 43.102 23.086 1.00 0.00 C ATOM 0 H THR A 9 27.633 39.079 23.248 1.00 0.00 H new ATOM 0 HA THR A 9 26.022 41.290 24.301 1.00 0.00 H new ATOM 0 HB THR A 9 28.266 41.242 22.231 1.00 0.00 H new ATOM 0 HG1 THR A 9 29.578 41.754 24.087 1.00 0.00 H new ATOM 0 HG21 THR A 9 28.561 43.603 22.915 1.00 0.00 H new ATOM 0 HG22 THR A 9 26.928 43.324 22.263 1.00 0.00 H new ATOM 0 HG23 THR A 9 27.174 43.457 24.021 1.00 0.00 H new ATOM 161 N GLY A 10 25.285 40.041 21.481 1.00 0.00 N ATOM 162 CA GLY A 10 24.396 40.174 20.286 1.00 0.00 C ATOM 163 C GLY A 10 25.251 40.422 19.041 1.00 0.00 C ATOM 164 O GLY A 10 24.761 40.426 17.929 1.00 0.00 O ATOM 0 H GLY A 10 25.620 39.096 21.667 1.00 0.00 H new ATOM 0 HA2 GLY A 10 23.802 39.269 20.158 1.00 0.00 H new ATOM 0 HA3 GLY A 10 23.696 40.997 20.430 1.00 0.00 H new ATOM 168 N LYS A 11 26.528 40.629 19.221 1.00 0.00 N ATOM 169 CA LYS A 11 27.415 40.875 18.047 1.00 0.00 C ATOM 170 C LYS A 11 27.141 39.815 16.975 1.00 0.00 C ATOM 171 O LYS A 11 27.366 38.639 17.181 1.00 0.00 O ATOM 172 CB LYS A 11 28.879 40.793 18.484 1.00 0.00 C ATOM 173 CG LYS A 11 29.783 41.215 17.325 1.00 0.00 C ATOM 174 CD LYS A 11 31.243 41.187 17.779 1.00 0.00 C ATOM 175 CE LYS A 11 32.145 41.646 16.632 1.00 0.00 C ATOM 176 NZ LYS A 11 33.567 41.622 17.077 1.00 0.00 N ATOM 0 H LYS A 11 26.995 40.638 20.128 1.00 0.00 H new ATOM 0 HA LYS A 11 27.215 41.867 17.641 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.049 41.439 19.345 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.120 39.777 18.795 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.642 40.544 16.477 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.515 42.216 16.987 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.378 41.837 18.644 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.518 40.180 18.091 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.012 40.995 15.768 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.868 42.652 16.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 34.180 41.934 16.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.687 42.261 17.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.827 40.654 17.356 1.00 0.00 H new ATOM 190 N THR A 12 26.644 40.222 15.835 1.00 0.00 N ATOM 191 CA THR A 12 26.340 39.240 14.750 1.00 0.00 C ATOM 192 C THR A 12 27.510 39.172 13.764 1.00 0.00 C ATOM 193 O THR A 12 28.018 40.180 13.315 1.00 0.00 O ATOM 194 CB THR A 12 25.079 39.679 14.004 1.00 0.00 C ATOM 195 OG1 THR A 12 23.986 39.719 14.910 1.00 0.00 O ATOM 196 CG2 THR A 12 24.778 38.684 12.880 1.00 0.00 C ATOM 0 H THR A 12 26.435 41.194 15.608 1.00 0.00 H new ATOM 0 HA THR A 12 26.184 38.257 15.193 1.00 0.00 H new ATOM 0 HB THR A 12 25.234 40.670 13.577 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.177 40.002 14.434 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.879 38.997 12.348 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.618 38.654 12.186 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.622 37.692 13.304 1.00 0.00 H new ATOM 204 N ILE A 13 27.926 37.982 13.418 1.00 0.00 N ATOM 205 CA ILE A 13 29.053 37.813 12.450 1.00 0.00 C ATOM 206 C ILE A 13 28.681 36.700 11.470 1.00 0.00 C ATOM 207 O ILE A 13 28.289 35.622 11.872 1.00 0.00 O ATOM 208 CB ILE A 13 30.327 37.420 13.204 1.00 0.00 C ATOM 209 CG1 ILE A 13 30.651 38.484 14.256 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.492 37.313 12.214 1.00 0.00 C ATOM 211 CD1 ILE A 13 31.831 38.018 15.111 1.00 0.00 C ATOM 0 H ILE A 13 27.529 37.110 13.768 1.00 0.00 H new ATOM 0 HA ILE A 13 29.230 38.747 11.916 1.00 0.00 H new ATOM 0 HB ILE A 13 30.174 36.459 13.696 1.00 0.00 H new ATOM 0 HG12 ILE A 13 30.892 39.429 13.770 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.780 38.663 14.887 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.400 37.033 12.749 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.264 36.555 11.465 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.642 38.275 11.723 1.00 0.00 H new ATOM 0 HD11 ILE A 13 32.060 38.777 15.859 1.00 0.00 H new ATOM 0 HD12 ILE A 13 31.573 37.083 15.609 1.00 0.00 H new ATOM 0 HD13 ILE A 13 32.702 37.861 14.475 1.00 0.00 H new ATOM 223 N THR A 14 28.800 36.943 10.185 1.00 0.00 N ATOM 224 CA THR A 14 28.450 35.896 9.173 1.00 0.00 C ATOM 225 C THR A 14 29.729 35.398 8.499 1.00 0.00 C ATOM 226 O THR A 14 30.529 36.176 8.018 1.00 0.00 O ATOM 227 CB THR A 14 27.527 36.507 8.114 1.00 0.00 C ATOM 228 OG1 THR A 14 27.570 35.713 6.937 1.00 0.00 O ATOM 229 CG2 THR A 14 27.985 37.929 7.791 1.00 0.00 C ATOM 0 H THR A 14 29.126 37.826 9.793 1.00 0.00 H new ATOM 0 HA THR A 14 27.946 35.064 9.665 1.00 0.00 H new ATOM 0 HB THR A 14 26.506 36.537 8.496 1.00 0.00 H new ATOM 0 HG1 THR A 14 26.979 36.101 6.259 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.327 38.361 7.037 1.00 0.00 H new ATOM 0 HG22 THR A 14 27.950 38.537 8.695 1.00 0.00 H new ATOM 0 HG23 THR A 14 29.006 37.905 7.410 1.00 0.00 H new ATOM 237 N LEU A 15 29.924 34.102 8.463 1.00 0.00 N ATOM 238 CA LEU A 15 31.149 33.525 7.822 1.00 0.00 C ATOM 239 C LEU A 15 30.726 32.603 6.671 1.00 0.00 C ATOM 240 O LEU A 15 30.111 31.578 6.884 1.00 0.00 O ATOM 241 CB LEU A 15 31.922 32.717 8.885 1.00 0.00 C ATOM 242 CG LEU A 15 33.426 32.675 8.541 1.00 0.00 C ATOM 243 CD1 LEU A 15 34.119 33.944 9.065 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.071 31.441 9.188 1.00 0.00 C ATOM 0 H LEU A 15 29.282 33.413 8.854 1.00 0.00 H new ATOM 0 HA LEU A 15 31.785 34.318 7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.780 33.167 9.867 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.526 31.703 8.939 1.00 0.00 H new ATOM 0 HG LEU A 15 33.540 32.622 7.458 1.00 0.00 H new ATOM 0 HD11 LEU A 15 35.180 33.907 8.819 1.00 0.00 H new ATOM 0 HD12 LEU A 15 33.669 34.822 8.602 1.00 0.00 H new ATOM 0 HD13 LEU A 15 34.000 34.003 10.147 1.00 0.00 H new ATOM 0 HD21 LEU A 15 35.133 31.415 8.943 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.950 31.492 10.270 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.589 30.539 8.811 1.00 0.00 H new ATOM 256 N GLU A 16 31.057 32.963 5.453 1.00 0.00 N ATOM 257 CA GLU A 16 30.681 32.117 4.274 1.00 0.00 C ATOM 258 C GLU A 16 31.938 31.445 3.714 1.00 0.00 C ATOM 259 O GLU A 16 32.884 32.098 3.322 1.00 0.00 O ATOM 260 CB GLU A 16 30.047 33.008 3.197 1.00 0.00 C ATOM 261 CG GLU A 16 30.787 34.346 3.130 1.00 0.00 C ATOM 262 CD GLU A 16 30.234 35.176 1.971 1.00 0.00 C ATOM 263 OE1 GLU A 16 30.426 34.774 0.836 1.00 0.00 O ATOM 264 OE2 GLU A 16 29.628 36.200 2.238 1.00 0.00 O ATOM 0 H GLU A 16 31.575 33.811 5.224 1.00 0.00 H new ATOM 0 HA GLU A 16 29.967 31.352 4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 16 30.089 32.510 2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 16 28.994 33.175 3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.668 34.887 4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.855 34.177 2.993 1.00 0.00 H new ATOM 271 N VAL A 17 31.949 30.141 3.660 1.00 0.00 N ATOM 272 CA VAL A 17 33.135 29.430 3.108 1.00 0.00 C ATOM 273 C VAL A 17 32.754 27.992 2.761 1.00 0.00 C ATOM 274 O VAL A 17 31.860 27.419 3.351 1.00 0.00 O ATOM 275 CB VAL A 17 34.263 29.431 4.138 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.858 28.586 5.349 1.00 0.00 C ATOM 277 CG2 VAL A 17 35.530 28.848 3.509 1.00 0.00 C ATOM 0 H VAL A 17 31.188 29.538 3.974 1.00 0.00 H new ATOM 0 HA VAL A 17 33.474 29.941 2.207 1.00 0.00 H new ATOM 0 HB VAL A 17 34.455 30.454 4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 17 34.665 28.589 6.081 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.958 29.004 5.800 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.662 27.562 5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 17 36.335 28.849 4.244 1.00 0.00 H new ATOM 0 HG22 VAL A 17 35.337 27.826 3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.822 29.453 2.651 1.00 0.00 H new ATOM 287 N GLU A 18 33.425 27.411 1.803 1.00 0.00 N ATOM 288 CA GLU A 18 33.113 26.005 1.402 1.00 0.00 C ATOM 289 C GLU A 18 32.889 25.138 2.660 1.00 0.00 C ATOM 290 O GLU A 18 33.820 24.878 3.396 1.00 0.00 O ATOM 291 CB GLU A 18 34.298 25.439 0.615 1.00 0.00 C ATOM 292 CG GLU A 18 34.483 26.239 -0.675 1.00 0.00 C ATOM 293 CD GLU A 18 35.693 25.703 -1.440 1.00 0.00 C ATOM 294 OE1 GLU A 18 36.351 24.815 -0.923 1.00 0.00 O ATOM 295 OE2 GLU A 18 35.943 26.188 -2.531 1.00 0.00 O ATOM 0 H GLU A 18 34.180 27.851 1.277 1.00 0.00 H new ATOM 0 HA GLU A 18 32.211 25.995 0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 18 35.205 25.487 1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 18 34.125 24.388 0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.588 26.165 -1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 18 34.625 27.295 -0.443 1.00 0.00 H new ATOM 302 N PRO A 19 31.673 24.695 2.923 1.00 0.00 N ATOM 303 CA PRO A 19 31.373 23.859 4.125 1.00 0.00 C ATOM 304 C PRO A 19 32.411 22.755 4.367 1.00 0.00 C ATOM 305 O PRO A 19 32.532 22.237 5.456 1.00 0.00 O ATOM 306 CB PRO A 19 30.003 23.255 3.803 1.00 0.00 C ATOM 307 CG PRO A 19 29.335 24.279 2.947 1.00 0.00 C ATOM 308 CD PRO A 19 30.452 24.934 2.123 1.00 0.00 C ATOM 0 HA PRO A 19 31.392 24.451 5.040 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.102 22.304 3.280 1.00 0.00 H new ATOM 0 HB3 PRO A 19 29.431 23.062 4.711 1.00 0.00 H new ATOM 0 HG2 PRO A 19 28.590 23.819 2.298 1.00 0.00 H new ATOM 0 HG3 PRO A 19 28.815 25.018 3.556 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.531 24.488 1.131 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.271 25.999 1.980 1.00 0.00 H new ATOM 316 N SER A 20 33.164 22.388 3.372 1.00 0.00 N ATOM 317 CA SER A 20 34.175 21.316 3.587 1.00 0.00 C ATOM 318 C SER A 20 35.343 21.886 4.392 1.00 0.00 C ATOM 319 O SER A 20 36.320 21.216 4.658 1.00 0.00 O ATOM 320 CB SER A 20 34.664 20.794 2.238 1.00 0.00 C ATOM 321 OG SER A 20 34.866 21.890 1.355 1.00 0.00 O ATOM 0 H SER A 20 33.126 22.777 2.430 1.00 0.00 H new ATOM 0 HA SER A 20 33.729 20.489 4.139 1.00 0.00 H new ATOM 0 HB2 SER A 20 35.593 20.239 2.365 1.00 0.00 H new ATOM 0 HB3 SER A 20 33.934 20.102 1.817 1.00 0.00 H new ATOM 0 HG SER A 20 35.182 21.558 0.489 1.00 0.00 H new ATOM 327 N ASP A 21 35.237 23.124 4.791 1.00 0.00 N ATOM 328 CA ASP A 21 36.313 23.753 5.589 1.00 0.00 C ATOM 329 C ASP A 21 36.322 23.130 6.990 1.00 0.00 C ATOM 330 O ASP A 21 35.289 22.815 7.546 1.00 0.00 O ATOM 331 CB ASP A 21 36.040 25.259 5.682 1.00 0.00 C ATOM 332 CG ASP A 21 36.610 25.966 4.449 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.179 25.647 3.353 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.470 26.816 4.622 1.00 0.00 O ATOM 0 H ASP A 21 34.440 23.728 4.593 1.00 0.00 H new ATOM 0 HA ASP A 21 37.283 23.590 5.120 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.967 25.440 5.753 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.492 25.665 6.587 1.00 0.00 H new ATOM 339 N THR A 22 37.480 22.942 7.557 1.00 0.00 N ATOM 340 CA THR A 22 37.552 22.327 8.912 1.00 0.00 C ATOM 341 C THR A 22 37.213 23.370 9.981 1.00 0.00 C ATOM 342 O THR A 22 37.451 24.550 9.815 1.00 0.00 O ATOM 343 CB THR A 22 38.961 21.783 9.151 1.00 0.00 C ATOM 344 OG1 THR A 22 39.899 22.848 9.073 1.00 0.00 O ATOM 345 CG2 THR A 22 39.286 20.732 8.090 1.00 0.00 C ATOM 0 H THR A 22 38.379 23.187 7.142 1.00 0.00 H new ATOM 0 HA THR A 22 36.832 21.511 8.973 1.00 0.00 H new ATOM 0 HB THR A 22 39.014 21.327 10.140 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.754 22.507 8.736 1.00 0.00 H new ATOM 0 HG21 THR A 22 40.290 20.343 8.259 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.566 19.916 8.153 1.00 0.00 H new ATOM 0 HG23 THR A 22 39.234 21.186 7.100 1.00 0.00 H new ATOM 353 N ILE A 23 36.649 22.932 11.073 1.00 0.00 N ATOM 354 CA ILE A 23 36.277 23.878 12.162 1.00 0.00 C ATOM 355 C ILE A 23 37.470 24.777 12.502 1.00 0.00 C ATOM 356 O ILE A 23 37.338 25.980 12.611 1.00 0.00 O ATOM 357 CB ILE A 23 35.859 23.074 13.392 1.00 0.00 C ATOM 358 CG1 ILE A 23 34.518 22.394 13.106 1.00 0.00 C ATOM 359 CG2 ILE A 23 35.706 24.004 14.599 1.00 0.00 C ATOM 360 CD1 ILE A 23 34.240 21.330 14.165 1.00 0.00 C ATOM 0 H ILE A 23 36.429 21.953 11.258 1.00 0.00 H new ATOM 0 HA ILE A 23 35.449 24.508 11.837 1.00 0.00 H new ATOM 0 HB ILE A 23 36.621 22.326 13.613 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.718 23.134 13.103 1.00 0.00 H new ATOM 0 HG13 ILE A 23 34.535 21.939 12.116 1.00 0.00 H new ATOM 0 HG21 ILE A 23 35.408 23.422 15.471 1.00 0.00 H new ATOM 0 HG22 ILE A 23 36.656 24.498 14.800 1.00 0.00 H new ATOM 0 HG23 ILE A 23 34.945 24.754 14.386 1.00 0.00 H new ATOM 0 HD11 ILE A 23 33.284 20.850 13.956 1.00 0.00 H new ATOM 0 HD12 ILE A 23 35.033 20.583 14.147 1.00 0.00 H new ATOM 0 HD13 ILE A 23 34.204 21.797 15.149 1.00 0.00 H new ATOM 372 N GLU A 24 38.633 24.208 12.671 1.00 0.00 N ATOM 373 CA GLU A 24 39.828 25.037 13.003 1.00 0.00 C ATOM 374 C GLU A 24 39.891 26.244 12.066 1.00 0.00 C ATOM 375 O GLU A 24 40.284 27.326 12.454 1.00 0.00 O ATOM 376 CB GLU A 24 41.096 24.198 12.841 1.00 0.00 C ATOM 377 CG GLU A 24 41.076 23.499 11.481 1.00 0.00 C ATOM 378 CD GLU A 24 42.326 22.631 11.334 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.140 22.639 12.244 1.00 0.00 O ATOM 380 OE2 GLU A 24 42.451 21.973 10.315 1.00 0.00 O ATOM 0 H GLU A 24 38.808 23.206 12.594 1.00 0.00 H new ATOM 0 HA GLU A 24 39.752 25.382 14.034 1.00 0.00 H new ATOM 0 HB2 GLU A 24 41.978 24.833 12.922 1.00 0.00 H new ATOM 0 HB3 GLU A 24 41.161 23.460 13.640 1.00 0.00 H new ATOM 0 HG2 GLU A 24 40.181 22.884 11.390 1.00 0.00 H new ATOM 0 HG3 GLU A 24 41.038 24.238 10.681 1.00 0.00 H new ATOM 387 N ASN A 25 39.496 26.070 10.834 1.00 0.00 N ATOM 388 CA ASN A 25 39.521 27.212 9.878 1.00 0.00 C ATOM 389 C ASN A 25 38.501 28.250 10.339 1.00 0.00 C ATOM 390 O ASN A 25 38.736 29.441 10.281 1.00 0.00 O ATOM 391 CB ASN A 25 39.156 26.717 8.477 1.00 0.00 C ATOM 392 CG ASN A 25 39.453 27.816 7.454 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.409 28.553 7.598 1.00 0.00 O ATOM 394 ND2 ASN A 25 38.669 27.958 6.420 1.00 0.00 N ATOM 0 H ASN A 25 39.158 25.188 10.449 1.00 0.00 H new ATOM 0 HA ASN A 25 40.517 27.654 9.848 1.00 0.00 H new ATOM 0 HB2 ASN A 25 39.725 25.819 8.237 1.00 0.00 H new ATOM 0 HB3 ASN A 25 38.101 26.445 8.439 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.858 28.687 5.733 1.00 0.00 H new ATOM 0 HD22 ASN A 25 37.867 27.339 6.299 1.00 0.00 H new ATOM 401 N VAL A 26 37.373 27.798 10.811 1.00 0.00 N ATOM 402 CA VAL A 26 36.332 28.743 11.295 1.00 0.00 C ATOM 403 C VAL A 26 36.858 29.451 12.543 1.00 0.00 C ATOM 404 O VAL A 26 37.028 30.653 12.568 1.00 0.00 O ATOM 405 CB VAL A 26 35.069 27.958 11.647 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.921 28.927 11.927 1.00 0.00 C ATOM 407 CG2 VAL A 26 34.694 27.046 10.478 1.00 0.00 C ATOM 0 H VAL A 26 37.128 26.811 10.882 1.00 0.00 H new ATOM 0 HA VAL A 26 36.099 29.477 10.523 1.00 0.00 H new ATOM 0 HB VAL A 26 35.255 27.354 12.535 1.00 0.00 H new ATOM 0 HG11 VAL A 26 33.022 28.364 12.178 1.00 0.00 H new ATOM 0 HG12 VAL A 26 34.187 29.575 12.762 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.733 29.534 11.042 1.00 0.00 H new ATOM 0 HG21 VAL A 26 33.793 26.486 10.728 1.00 0.00 H new ATOM 0 HG22 VAL A 26 34.510 27.650 9.590 1.00 0.00 H new ATOM 0 HG23 VAL A 26 35.511 26.351 10.282 1.00 0.00 H new ATOM 417 N LYS A 27 37.118 28.706 13.582 1.00 0.00 N ATOM 418 CA LYS A 27 37.635 29.316 14.837 1.00 0.00 C ATOM 419 C LYS A 27 38.767 30.292 14.505 1.00 0.00 C ATOM 420 O LYS A 27 38.976 31.271 15.194 1.00 0.00 O ATOM 421 CB LYS A 27 38.168 28.208 15.747 1.00 0.00 C ATOM 422 CG LYS A 27 37.008 27.327 16.211 1.00 0.00 C ATOM 423 CD LYS A 27 37.491 26.389 17.320 1.00 0.00 C ATOM 424 CE LYS A 27 36.317 25.554 17.833 1.00 0.00 C ATOM 425 NZ LYS A 27 35.337 26.442 18.518 1.00 0.00 N ATOM 0 H LYS A 27 36.993 27.694 13.614 1.00 0.00 H new ATOM 0 HA LYS A 27 36.833 29.854 15.341 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.904 27.607 15.213 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.676 28.643 16.608 1.00 0.00 H new ATOM 0 HG2 LYS A 27 36.189 27.948 16.576 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.620 26.748 15.373 1.00 0.00 H new ATOM 0 HD2 LYS A 27 38.277 25.736 16.941 1.00 0.00 H new ATOM 0 HD3 LYS A 27 37.923 26.967 18.137 1.00 0.00 H new ATOM 0 HE2 LYS A 27 35.836 25.035 17.004 1.00 0.00 H new ATOM 0 HE3 LYS A 27 36.675 24.789 18.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 34.388 26.021 18.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 35.607 26.552 19.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 35.331 27.374 18.056 1.00 0.00 H new ATOM 439 N ALA A 28 39.500 30.034 13.458 1.00 0.00 N ATOM 440 CA ALA A 28 40.617 30.950 13.087 1.00 0.00 C ATOM 441 C ALA A 28 40.042 32.286 12.607 1.00 0.00 C ATOM 442 O ALA A 28 40.339 33.331 13.151 1.00 0.00 O ATOM 443 CB ALA A 28 41.444 30.316 11.967 1.00 0.00 C ATOM 0 H ALA A 28 39.375 29.230 12.843 1.00 0.00 H new ATOM 0 HA ALA A 28 41.253 31.120 13.955 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.261 30.984 11.695 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.852 29.365 12.310 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.809 30.146 11.097 1.00 0.00 H new ATOM 449 N LYS A 29 39.226 32.259 11.589 1.00 0.00 N ATOM 450 CA LYS A 29 38.637 33.528 11.073 1.00 0.00 C ATOM 451 C LYS A 29 37.929 34.261 12.216 1.00 0.00 C ATOM 452 O LYS A 29 37.821 35.468 12.219 1.00 0.00 O ATOM 453 CB LYS A 29 37.641 33.205 9.957 1.00 0.00 C ATOM 454 CG LYS A 29 38.406 32.896 8.658 1.00 0.00 C ATOM 455 CD LYS A 29 37.536 32.044 7.737 1.00 0.00 C ATOM 456 CE LYS A 29 38.276 31.790 6.423 1.00 0.00 C ATOM 457 NZ LYS A 29 38.357 33.059 5.645 1.00 0.00 N ATOM 0 H LYS A 29 38.942 31.415 11.093 1.00 0.00 H new ATOM 0 HA LYS A 29 39.425 34.168 10.675 1.00 0.00 H new ATOM 0 HB2 LYS A 29 37.025 32.351 10.241 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.966 34.047 9.802 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.681 33.824 8.157 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.333 32.370 8.887 1.00 0.00 H new ATOM 0 HD2 LYS A 29 37.296 31.097 8.220 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.591 32.550 7.542 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.278 31.410 6.625 1.00 0.00 H new ATOM 0 HE3 LYS A 29 37.757 31.027 5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.574 32.844 4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.447 33.559 5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.107 33.661 6.040 1.00 0.00 H new ATOM 471 N ILE A 30 37.462 33.541 13.193 1.00 0.00 N ATOM 472 CA ILE A 30 36.783 34.199 14.340 1.00 0.00 C ATOM 473 C ILE A 30 37.853 34.785 15.268 1.00 0.00 C ATOM 474 O ILE A 30 37.963 35.984 15.432 1.00 0.00 O ATOM 475 CB ILE A 30 35.951 33.160 15.094 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.772 32.726 14.219 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.422 33.770 16.392 1.00 0.00 C ATOM 478 CD1 ILE A 30 34.102 31.498 14.840 1.00 0.00 C ATOM 0 H ILE A 30 37.521 32.524 13.248 1.00 0.00 H new ATOM 0 HA ILE A 30 36.126 34.994 13.989 1.00 0.00 H new ATOM 0 HB ILE A 30 36.573 32.296 15.328 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.053 33.540 14.129 1.00 0.00 H new ATOM 0 HG13 ILE A 30 35.118 32.494 13.212 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.830 33.028 16.928 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.260 34.084 17.015 1.00 0.00 H new ATOM 0 HG23 ILE A 30 34.799 34.634 16.161 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.262 31.188 14.218 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.824 30.684 14.907 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.742 31.746 15.838 1.00 0.00 H new ATOM 490 N GLN A 31 38.633 33.932 15.877 1.00 0.00 N ATOM 491 CA GLN A 31 39.704 34.387 16.807 1.00 0.00 C ATOM 492 C GLN A 31 40.397 35.638 16.252 1.00 0.00 C ATOM 493 O GLN A 31 40.657 36.581 16.968 1.00 0.00 O ATOM 494 CB GLN A 31 40.726 33.260 16.948 1.00 0.00 C ATOM 495 CG GLN A 31 41.867 33.709 17.854 1.00 0.00 C ATOM 496 CD GLN A 31 42.786 32.522 18.147 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.913 31.622 17.341 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.437 32.482 19.278 1.00 0.00 N ATOM 0 H GLN A 31 38.570 32.920 15.766 1.00 0.00 H new ATOM 0 HA GLN A 31 39.269 34.634 17.775 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.248 32.373 17.363 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.115 32.984 15.968 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.431 34.510 17.376 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.469 34.112 18.785 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.330 33.238 19.955 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.052 31.695 19.485 1.00 0.00 H new ATOM 507 N ASP A 32 40.697 35.647 14.988 1.00 0.00 N ATOM 508 CA ASP A 32 41.376 36.838 14.391 1.00 0.00 C ATOM 509 C ASP A 32 40.405 38.025 14.354 1.00 0.00 C ATOM 510 O ASP A 32 40.710 39.107 14.814 1.00 0.00 O ATOM 511 CB ASP A 32 41.825 36.504 12.966 1.00 0.00 C ATOM 512 CG ASP A 32 42.987 35.510 13.017 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.536 35.325 14.090 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.307 34.950 11.981 1.00 0.00 O ATOM 0 H ASP A 32 40.504 34.885 14.338 1.00 0.00 H new ATOM 0 HA ASP A 32 42.243 37.101 14.998 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.994 36.080 12.402 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.132 37.412 12.448 1.00 0.00 H new ATOM 519 N LYS A 33 39.253 37.829 13.781 1.00 0.00 N ATOM 520 CA LYS A 33 38.267 38.941 13.676 1.00 0.00 C ATOM 521 C LYS A 33 37.903 39.478 15.066 1.00 0.00 C ATOM 522 O LYS A 33 37.758 40.671 15.250 1.00 0.00 O ATOM 523 CB LYS A 33 37.014 38.428 12.978 1.00 0.00 C ATOM 524 CG LYS A 33 37.315 38.218 11.492 1.00 0.00 C ATOM 525 CD LYS A 33 36.127 37.533 10.820 1.00 0.00 C ATOM 526 CE LYS A 33 36.424 37.340 9.331 1.00 0.00 C ATOM 527 NZ LYS A 33 35.275 36.649 8.681 1.00 0.00 N ATOM 0 H LYS A 33 38.949 36.943 13.378 1.00 0.00 H new ATOM 0 HA LYS A 33 38.709 39.755 13.101 1.00 0.00 H new ATOM 0 HB2 LYS A 33 36.689 37.492 13.431 1.00 0.00 H new ATOM 0 HB3 LYS A 33 36.198 39.141 13.099 1.00 0.00 H new ATOM 0 HG2 LYS A 33 37.514 39.176 11.012 1.00 0.00 H new ATOM 0 HG3 LYS A 33 38.212 37.610 11.375 1.00 0.00 H new ATOM 0 HD2 LYS A 33 35.935 36.569 11.291 1.00 0.00 H new ATOM 0 HD3 LYS A 33 35.227 38.135 10.947 1.00 0.00 H new ATOM 0 HE2 LYS A 33 36.598 38.305 8.856 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.334 36.754 9.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 35.602 35.759 8.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 34.546 36.443 9.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 34.874 37.262 7.942 1.00 0.00 H new ATOM 541 N GLU A 34 37.758 38.626 16.048 1.00 0.00 N ATOM 542 CA GLU A 34 37.407 39.118 17.419 1.00 0.00 C ATOM 543 C GLU A 34 38.688 39.308 18.242 1.00 0.00 C ATOM 544 O GLU A 34 38.726 40.082 19.178 1.00 0.00 O ATOM 545 CB GLU A 34 36.497 38.096 18.111 1.00 0.00 C ATOM 546 CG GLU A 34 35.497 37.535 17.098 1.00 0.00 C ATOM 547 CD GLU A 34 34.445 36.697 17.827 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.815 35.996 18.754 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.289 36.771 17.447 1.00 0.00 O ATOM 0 H GLU A 34 37.866 37.615 15.963 1.00 0.00 H new ATOM 0 HA GLU A 34 36.886 40.072 17.339 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.095 37.288 18.534 1.00 0.00 H new ATOM 0 HB3 GLU A 34 35.967 38.567 18.939 1.00 0.00 H new ATOM 0 HG2 GLU A 34 35.016 38.350 16.556 1.00 0.00 H new ATOM 0 HG3 GLU A 34 36.016 36.924 16.360 1.00 0.00 H new ATOM 556 N GLY A 35 39.734 38.608 17.900 1.00 0.00 N ATOM 557 CA GLY A 35 41.008 38.746 18.664 1.00 0.00 C ATOM 558 C GLY A 35 40.816 38.170 20.068 1.00 0.00 C ATOM 559 O GLY A 35 41.542 38.491 20.989 1.00 0.00 O ATOM 0 H GLY A 35 39.763 37.946 17.125 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.813 38.222 18.150 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.298 39.795 18.725 1.00 0.00 H new ATOM 563 N ILE A 36 39.830 37.329 20.238 1.00 0.00 N ATOM 564 CA ILE A 36 39.552 36.728 21.570 1.00 0.00 C ATOM 565 C ILE A 36 40.057 35.272 21.600 1.00 0.00 C ATOM 566 O ILE A 36 39.445 34.403 21.012 1.00 0.00 O ATOM 567 CB ILE A 36 38.047 36.731 21.776 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.515 38.137 21.504 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.741 36.338 23.215 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.013 38.159 21.744 1.00 0.00 C ATOM 0 H ILE A 36 39.197 37.030 19.496 1.00 0.00 H new ATOM 0 HA ILE A 36 40.055 37.297 22.352 1.00 0.00 H new ATOM 0 HB ILE A 36 37.573 36.022 21.098 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.010 38.858 22.155 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.736 38.430 20.478 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.662 36.338 23.371 1.00 0.00 H new ATOM 0 HG22 ILE A 36 38.136 35.341 23.412 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.205 37.053 23.894 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.628 39.160 21.551 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.527 37.449 21.075 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.806 37.884 22.778 1.00 0.00 H new ATOM 582 N PRO A 37 41.149 34.991 22.276 1.00 0.00 N ATOM 583 CA PRO A 37 41.691 33.600 22.358 1.00 0.00 C ATOM 584 C PRO A 37 40.591 32.571 22.709 1.00 0.00 C ATOM 585 O PRO A 37 39.949 32.690 23.734 1.00 0.00 O ATOM 586 CB PRO A 37 42.724 33.691 23.490 1.00 0.00 C ATOM 587 CG PRO A 37 43.197 35.108 23.456 1.00 0.00 C ATOM 588 CD PRO A 37 41.988 35.944 23.030 1.00 0.00 C ATOM 0 HA PRO A 37 42.109 33.262 21.410 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.278 33.445 24.454 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.547 32.994 23.332 1.00 0.00 H new ATOM 0 HG2 PRO A 37 43.563 35.421 24.434 1.00 0.00 H new ATOM 0 HG3 PRO A 37 44.022 35.228 22.753 1.00 0.00 H new ATOM 0 HD2 PRO A 37 41.458 36.349 23.892 1.00 0.00 H new ATOM 0 HD3 PRO A 37 42.285 36.791 22.412 1.00 0.00 H new ATOM 596 N PRO A 38 40.365 31.569 21.882 1.00 0.00 N ATOM 597 CA PRO A 38 39.324 30.533 22.146 1.00 0.00 C ATOM 598 C PRO A 38 39.240 30.121 23.619 1.00 0.00 C ATOM 599 O PRO A 38 38.182 29.812 24.129 1.00 0.00 O ATOM 600 CB PRO A 38 39.779 29.369 21.285 1.00 0.00 C ATOM 601 CG PRO A 38 40.354 30.033 20.086 1.00 0.00 C ATOM 602 CD PRO A 38 41.054 31.296 20.605 1.00 0.00 C ATOM 0 HA PRO A 38 38.323 30.896 21.915 1.00 0.00 H new ATOM 0 HB2 PRO A 38 40.519 28.755 21.798 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.948 28.714 21.022 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.059 29.377 19.575 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.575 30.285 19.367 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.122 31.132 20.752 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.952 32.127 19.908 1.00 0.00 H new ATOM 610 N ASP A 39 40.350 30.106 24.304 1.00 0.00 N ATOM 611 CA ASP A 39 40.336 29.704 25.740 1.00 0.00 C ATOM 612 C ASP A 39 39.264 30.497 26.488 1.00 0.00 C ATOM 613 O ASP A 39 38.533 29.964 27.298 1.00 0.00 O ATOM 614 CB ASP A 39 41.705 29.984 26.363 1.00 0.00 C ATOM 615 CG ASP A 39 41.704 29.527 27.823 1.00 0.00 C ATOM 616 OD1 ASP A 39 41.628 28.331 28.048 1.00 0.00 O ATOM 617 OD2 ASP A 39 41.781 30.382 28.690 1.00 0.00 O ATOM 0 H ASP A 39 41.267 30.355 23.932 1.00 0.00 H new ATOM 0 HA ASP A 39 40.113 28.639 25.813 1.00 0.00 H new ATOM 0 HB2 ASP A 39 42.483 29.461 25.807 1.00 0.00 H new ATOM 0 HB3 ASP A 39 41.932 31.048 26.304 1.00 0.00 H new ATOM 622 N GLN A 40 39.171 31.767 26.226 1.00 0.00 N ATOM 623 CA GLN A 40 38.158 32.607 26.920 1.00 0.00 C ATOM 624 C GLN A 40 36.806 32.485 26.208 1.00 0.00 C ATOM 625 O GLN A 40 35.887 33.234 26.473 1.00 0.00 O ATOM 626 CB GLN A 40 38.618 34.064 26.887 1.00 0.00 C ATOM 627 CG GLN A 40 39.968 34.187 27.594 1.00 0.00 C ATOM 628 CD GLN A 40 40.394 35.655 27.636 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.447 36.314 26.616 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.702 36.201 28.781 1.00 0.00 N ATOM 0 H GLN A 40 39.757 32.264 25.556 1.00 0.00 H new ATOM 0 HA GLN A 40 38.050 32.272 27.952 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.703 34.407 25.856 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.880 34.701 27.375 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.897 33.789 28.606 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.719 33.595 27.071 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.658 35.649 29.638 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.987 37.180 28.819 1.00 0.00 H new ATOM 639 N GLN A 41 36.681 31.546 25.304 1.00 0.00 N ATOM 640 CA GLN A 41 35.390 31.374 24.566 1.00 0.00 C ATOM 641 C GLN A 41 35.064 29.890 24.394 1.00 0.00 C ATOM 642 O GLN A 41 35.932 29.070 24.169 1.00 0.00 O ATOM 643 CB GLN A 41 35.504 32.016 23.183 1.00 0.00 C ATOM 644 CG GLN A 41 35.846 33.498 23.331 1.00 0.00 C ATOM 645 CD GLN A 41 35.857 34.156 21.951 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.057 35.028 21.673 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.736 33.773 21.066 1.00 0.00 N ATOM 0 H GLN A 41 37.417 30.890 25.044 1.00 0.00 H new ATOM 0 HA GLN A 41 34.596 31.852 25.141 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.274 31.511 22.599 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.566 31.902 22.640 1.00 0.00 H new ATOM 0 HG2 GLN A 41 35.116 33.989 23.974 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.819 33.612 23.808 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.408 33.041 21.298 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.751 34.205 20.142 1.00 0.00 H new ATOM 656 N ARG A 42 33.803 29.551 24.472 1.00 0.00 N ATOM 657 CA ARG A 42 33.365 28.137 24.286 1.00 0.00 C ATOM 658 C ARG A 42 32.186 28.152 23.317 1.00 0.00 C ATOM 659 O ARG A 42 31.216 28.853 23.529 1.00 0.00 O ATOM 660 CB ARG A 42 32.923 27.552 25.636 1.00 0.00 C ATOM 661 CG ARG A 42 34.154 27.133 26.463 1.00 0.00 C ATOM 662 CD ARG A 42 34.574 25.702 26.102 1.00 0.00 C ATOM 663 NE ARG A 42 35.974 25.466 26.557 1.00 0.00 N ATOM 664 CZ ARG A 42 36.977 25.873 25.828 1.00 0.00 C ATOM 665 NH1 ARG A 42 38.202 25.664 26.229 1.00 0.00 N ATOM 666 NH2 ARG A 42 36.757 26.488 24.698 1.00 0.00 N ATOM 0 H ARG A 42 33.045 30.208 24.660 1.00 0.00 H new ATOM 0 HA ARG A 42 34.178 27.525 23.895 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.340 28.290 26.187 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.275 26.691 25.473 1.00 0.00 H new ATOM 0 HG2 ARG A 42 34.979 27.820 26.274 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.925 27.195 27.527 1.00 0.00 H new ATOM 0 HD2 ARG A 42 33.902 24.985 26.572 1.00 0.00 H new ATOM 0 HD3 ARG A 42 34.500 25.550 25.025 1.00 0.00 H new ATOM 0 HE ARG A 42 36.148 24.986 27.440 1.00 0.00 H new ATOM 0 HH11 ARG A 42 38.375 25.183 27.112 1.00 0.00 H new ATOM 0 HH12 ARG A 42 38.986 25.982 25.660 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.800 26.651 24.384 1.00 0.00 H new ATOM 0 HH22 ARG A 42 37.542 26.806 24.129 1.00 0.00 H new ATOM 680 N LEU A 43 32.253 27.416 22.241 1.00 0.00 N ATOM 681 CA LEU A 43 31.125 27.437 21.267 1.00 0.00 C ATOM 682 C LEU A 43 30.080 26.392 21.648 1.00 0.00 C ATOM 683 O LEU A 43 30.404 25.302 22.068 1.00 0.00 O ATOM 684 CB LEU A 43 31.646 27.124 19.864 1.00 0.00 C ATOM 685 CG LEU A 43 32.873 27.987 19.517 1.00 0.00 C ATOM 686 CD1 LEU A 43 33.040 28.018 18.003 1.00 0.00 C ATOM 687 CD2 LEU A 43 32.696 29.423 20.014 1.00 0.00 C ATOM 0 H LEU A 43 33.033 26.806 21.996 1.00 0.00 H new ATOM 0 HA LEU A 43 30.672 28.428 21.283 1.00 0.00 H new ATOM 0 HB2 LEU A 43 31.911 26.069 19.799 1.00 0.00 H new ATOM 0 HB3 LEU A 43 30.857 27.300 19.133 1.00 0.00 H new ATOM 0 HG LEU A 43 33.748 27.553 20.000 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.907 28.627 17.745 1.00 0.00 H new ATOM 0 HD12 LEU A 43 33.186 27.003 17.632 1.00 0.00 H new ATOM 0 HD13 LEU A 43 32.147 28.446 17.547 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.578 30.009 19.755 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.816 29.864 19.545 1.00 0.00 H new ATOM 0 HD23 LEU A 43 32.568 29.420 21.096 1.00 0.00 H new ATOM 699 N ILE A 44 28.826 26.721 21.481 1.00 0.00 N ATOM 700 CA ILE A 44 27.722 25.760 21.806 1.00 0.00 C ATOM 701 C ILE A 44 26.860 25.575 20.558 1.00 0.00 C ATOM 702 O ILE A 44 26.507 26.532 19.893 1.00 0.00 O ATOM 703 CB ILE A 44 26.852 26.332 22.930 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.704 26.576 24.190 1.00 0.00 C ATOM 705 CG2 ILE A 44 25.722 25.341 23.252 1.00 0.00 C ATOM 706 CD1 ILE A 44 28.413 25.288 24.643 1.00 0.00 C ATOM 0 H ILE A 44 28.513 27.626 21.129 1.00 0.00 H new ATOM 0 HA ILE A 44 28.144 24.807 22.126 1.00 0.00 H new ATOM 0 HB ILE A 44 26.426 27.281 22.606 1.00 0.00 H new ATOM 0 HG12 ILE A 44 28.445 27.349 23.987 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.069 26.947 24.995 1.00 0.00 H new ATOM 0 HG21 ILE A 44 25.101 25.745 24.052 1.00 0.00 H new ATOM 0 HG22 ILE A 44 25.112 25.184 22.363 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.151 24.391 23.570 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.006 25.493 25.534 1.00 0.00 H new ATOM 0 HD12 ILE A 44 27.669 24.524 24.870 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.067 24.933 23.846 1.00 0.00 H new ATOM 718 N PHE A 45 26.516 24.359 20.225 1.00 0.00 N ATOM 719 CA PHE A 45 25.677 24.125 19.017 1.00 0.00 C ATOM 720 C PHE A 45 24.834 22.862 19.228 1.00 0.00 C ATOM 721 O PHE A 45 25.350 21.766 19.317 1.00 0.00 O ATOM 722 CB PHE A 45 26.591 23.943 17.801 1.00 0.00 C ATOM 723 CG PHE A 45 25.773 23.499 16.613 1.00 0.00 C ATOM 724 CD1 PHE A 45 25.236 24.447 15.736 1.00 0.00 C ATOM 725 CD2 PHE A 45 25.554 22.136 16.393 1.00 0.00 C ATOM 726 CE1 PHE A 45 24.477 24.030 14.634 1.00 0.00 C ATOM 727 CE2 PHE A 45 24.796 21.717 15.294 1.00 0.00 C ATOM 728 CZ PHE A 45 24.258 22.664 14.413 1.00 0.00 C ATOM 0 H PHE A 45 26.781 23.518 20.739 1.00 0.00 H new ATOM 0 HA PHE A 45 25.016 24.976 18.849 1.00 0.00 H new ATOM 0 HB2 PHE A 45 27.101 24.879 17.574 1.00 0.00 H new ATOM 0 HB3 PHE A 45 27.362 23.204 18.021 1.00 0.00 H new ATOM 0 HD1 PHE A 45 25.406 25.500 15.908 1.00 0.00 H new ATOM 0 HD2 PHE A 45 25.970 21.406 17.072 1.00 0.00 H new ATOM 0 HE1 PHE A 45 24.061 24.761 13.956 1.00 0.00 H new ATOM 0 HE2 PHE A 45 24.626 20.664 15.125 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.674 22.341 13.564 1.00 0.00 H new ATOM 738 N ALA A 46 23.539 23.012 19.300 1.00 0.00 N ATOM 739 CA ALA A 46 22.654 21.828 19.493 1.00 0.00 C ATOM 740 C ALA A 46 22.986 21.117 20.810 1.00 0.00 C ATOM 741 O ALA A 46 22.659 19.961 20.994 1.00 0.00 O ATOM 742 CB ALA A 46 22.841 20.856 18.323 1.00 0.00 C ATOM 0 H ALA A 46 23.054 23.907 19.233 1.00 0.00 H new ATOM 0 HA ALA A 46 21.618 22.166 19.531 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.194 19.990 18.463 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.581 21.356 17.390 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.880 20.530 18.283 1.00 0.00 H new ATOM 748 N GLY A 47 23.619 21.791 21.736 1.00 0.00 N ATOM 749 CA GLY A 47 23.952 21.139 23.041 1.00 0.00 C ATOM 750 C GLY A 47 25.297 20.415 22.941 1.00 0.00 C ATOM 751 O GLY A 47 25.707 19.729 23.857 1.00 0.00 O ATOM 0 H GLY A 47 23.919 22.762 21.647 1.00 0.00 H new ATOM 0 HA2 GLY A 47 23.992 21.889 23.831 1.00 0.00 H new ATOM 0 HA3 GLY A 47 23.169 20.431 23.313 1.00 0.00 H new ATOM 755 N LYS A 48 25.987 20.562 21.838 1.00 0.00 N ATOM 756 CA LYS A 48 27.314 19.886 21.664 1.00 0.00 C ATOM 757 C LYS A 48 28.359 20.922 21.254 1.00 0.00 C ATOM 758 O LYS A 48 28.051 21.902 20.604 1.00 0.00 O ATOM 759 CB LYS A 48 27.201 18.827 20.574 1.00 0.00 C ATOM 760 CG LYS A 48 26.196 17.757 21.002 1.00 0.00 C ATOM 761 CD LYS A 48 26.103 16.680 19.919 1.00 0.00 C ATOM 762 CE LYS A 48 25.113 15.600 20.359 1.00 0.00 C ATOM 763 NZ LYS A 48 23.755 16.197 20.500 1.00 0.00 N ATOM 0 H LYS A 48 25.687 21.126 21.043 1.00 0.00 H new ATOM 0 HA LYS A 48 27.611 19.417 22.602 1.00 0.00 H new ATOM 0 HB2 LYS A 48 26.882 19.286 19.638 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.175 18.373 20.391 1.00 0.00 H new ATOM 0 HG2 LYS A 48 26.504 17.311 21.948 1.00 0.00 H new ATOM 0 HG3 LYS A 48 25.217 18.208 21.166 1.00 0.00 H new ATOM 0 HD2 LYS A 48 25.780 17.123 18.977 1.00 0.00 H new ATOM 0 HD3 LYS A 48 27.084 16.239 19.744 1.00 0.00 H new ATOM 0 HE2 LYS A 48 25.092 14.792 19.628 1.00 0.00 H new ATOM 0 HE3 LYS A 48 25.431 15.165 21.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 23.040 15.442 20.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 23.693 16.708 21.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 23.583 16.858 19.716 1.00 0.00 H new ATOM 777 N GLN A 49 29.599 20.720 21.621 1.00 0.00 N ATOM 778 CA GLN A 49 30.666 21.686 21.251 1.00 0.00 C ATOM 779 C GLN A 49 31.265 21.268 19.904 1.00 0.00 C ATOM 780 O GLN A 49 31.134 20.134 19.488 1.00 0.00 O ATOM 781 CB GLN A 49 31.754 21.652 22.331 1.00 0.00 C ATOM 782 CG GLN A 49 32.660 22.880 22.207 1.00 0.00 C ATOM 783 CD GLN A 49 33.855 22.729 23.151 1.00 0.00 C ATOM 784 OE1 GLN A 49 33.735 22.155 24.214 1.00 0.00 O ATOM 785 NE2 GLN A 49 35.012 23.223 22.803 1.00 0.00 N ATOM 0 H GLN A 49 29.916 19.918 22.166 1.00 0.00 H new ATOM 0 HA GLN A 49 30.258 22.694 21.172 1.00 0.00 H new ATOM 0 HB2 GLN A 49 31.295 21.628 23.319 1.00 0.00 H new ATOM 0 HB3 GLN A 49 32.346 20.742 22.232 1.00 0.00 H new ATOM 0 HG2 GLN A 49 33.006 22.988 21.179 1.00 0.00 H new ATOM 0 HG3 GLN A 49 32.102 23.784 22.452 1.00 0.00 H new ATOM 0 HE21 GLN A 49 35.113 23.705 21.910 1.00 0.00 H new ATOM 0 HE22 GLN A 49 35.815 23.127 23.424 1.00 0.00 H new ATOM 794 N LEU A 50 31.932 22.165 19.224 1.00 0.00 N ATOM 795 CA LEU A 50 32.554 21.810 17.909 1.00 0.00 C ATOM 796 C LEU A 50 34.050 21.558 18.122 1.00 0.00 C ATOM 797 O LEU A 50 34.794 22.451 18.477 1.00 0.00 O ATOM 798 CB LEU A 50 32.368 22.975 16.932 1.00 0.00 C ATOM 799 CG LEU A 50 30.903 23.425 16.933 1.00 0.00 C ATOM 800 CD1 LEU A 50 30.743 24.630 16.002 1.00 0.00 C ATOM 801 CD2 LEU A 50 30.008 22.279 16.444 1.00 0.00 C ATOM 0 H LEU A 50 32.074 23.130 19.522 1.00 0.00 H new ATOM 0 HA LEU A 50 32.082 20.916 17.502 1.00 0.00 H new ATOM 0 HB2 LEU A 50 33.013 23.806 17.216 1.00 0.00 H new ATOM 0 HB3 LEU A 50 32.664 22.670 15.928 1.00 0.00 H new ATOM 0 HG LEU A 50 30.610 23.702 17.946 1.00 0.00 H new ATOM 0 HD11 LEU A 50 29.702 24.953 16.000 1.00 0.00 H new ATOM 0 HD12 LEU A 50 31.375 25.446 16.351 1.00 0.00 H new ATOM 0 HD13 LEU A 50 31.038 24.350 14.991 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.967 22.604 16.446 1.00 0.00 H new ATOM 0 HD22 LEU A 50 30.298 21.997 15.432 1.00 0.00 H new ATOM 0 HD23 LEU A 50 30.122 21.421 17.106 1.00 0.00 H new ATOM 813 N GLU A 51 34.496 20.345 17.918 1.00 0.00 N ATOM 814 CA GLU A 51 35.945 20.030 18.121 1.00 0.00 C ATOM 815 C GLU A 51 36.697 20.164 16.796 1.00 0.00 C ATOM 816 O GLU A 51 36.138 19.989 15.732 1.00 0.00 O ATOM 817 CB GLU A 51 36.080 18.595 18.635 1.00 0.00 C ATOM 818 CG GLU A 51 35.316 18.450 19.952 1.00 0.00 C ATOM 819 CD GLU A 51 35.525 17.041 20.512 1.00 0.00 C ATOM 820 OE1 GLU A 51 36.178 16.253 19.848 1.00 0.00 O ATOM 821 OE2 GLU A 51 35.029 16.776 21.594 1.00 0.00 O ATOM 0 H GLU A 51 33.920 19.558 17.619 1.00 0.00 H new ATOM 0 HA GLU A 51 36.367 20.726 18.846 1.00 0.00 H new ATOM 0 HB2 GLU A 51 35.689 17.895 17.897 1.00 0.00 H new ATOM 0 HB3 GLU A 51 37.131 18.348 18.783 1.00 0.00 H new ATOM 0 HG2 GLU A 51 35.663 19.193 20.670 1.00 0.00 H new ATOM 0 HG3 GLU A 51 34.254 18.635 19.791 1.00 0.00 H new ATOM 828 N ASP A 52 37.965 20.470 16.855 1.00 0.00 N ATOM 829 CA ASP A 52 38.761 20.618 15.601 1.00 0.00 C ATOM 830 C ASP A 52 39.037 19.235 15.004 1.00 0.00 C ATOM 831 O ASP A 52 39.025 18.236 15.692 1.00 0.00 O ATOM 832 CB ASP A 52 40.086 21.311 15.920 1.00 0.00 C ATOM 833 CG ASP A 52 40.904 20.439 16.874 1.00 0.00 C ATOM 834 OD1 ASP A 52 40.423 19.376 17.233 1.00 0.00 O ATOM 835 OD2 ASP A 52 41.996 20.848 17.231 1.00 0.00 O ATOM 0 H ASP A 52 38.485 20.624 17.719 1.00 0.00 H new ATOM 0 HA ASP A 52 38.201 21.217 14.883 1.00 0.00 H new ATOM 0 HB2 ASP A 52 40.646 21.487 15.002 1.00 0.00 H new ATOM 0 HB3 ASP A 52 39.899 22.285 16.372 1.00 0.00 H new ATOM 840 N GLY A 53 39.291 19.174 13.721 1.00 0.00 N ATOM 841 CA GLY A 53 39.573 17.859 13.066 1.00 0.00 C ATOM 842 C GLY A 53 38.294 17.322 12.422 1.00 0.00 C ATOM 843 O GLY A 53 37.998 16.147 12.492 1.00 0.00 O ATOM 0 H GLY A 53 39.315 19.980 13.097 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.351 17.977 12.311 1.00 0.00 H new ATOM 0 HA3 GLY A 53 39.948 17.148 13.802 1.00 0.00 H new ATOM 847 N ARG A 54 37.535 18.176 11.788 1.00 0.00 N ATOM 848 CA ARG A 54 36.275 17.719 11.137 1.00 0.00 C ATOM 849 C ARG A 54 35.699 18.862 10.298 1.00 0.00 C ATOM 850 O ARG A 54 35.962 20.020 10.559 1.00 0.00 O ATOM 851 CB ARG A 54 35.266 17.307 12.214 1.00 0.00 C ATOM 852 CG ARG A 54 34.025 16.695 11.556 1.00 0.00 C ATOM 853 CD ARG A 54 33.220 15.922 12.603 1.00 0.00 C ATOM 854 NE ARG A 54 32.929 16.812 13.764 1.00 0.00 N ATOM 855 CZ ARG A 54 32.644 16.295 14.929 1.00 0.00 C ATOM 856 NH1 ARG A 54 32.389 17.076 15.944 1.00 0.00 N ATOM 857 NH2 ARG A 54 32.612 15.000 15.079 1.00 0.00 N ATOM 0 H ARG A 54 37.735 19.172 11.693 1.00 0.00 H new ATOM 0 HA ARG A 54 36.481 16.864 10.493 1.00 0.00 H new ATOM 0 HB2 ARG A 54 35.720 16.587 12.895 1.00 0.00 H new ATOM 0 HB3 ARG A 54 34.982 18.174 12.810 1.00 0.00 H new ATOM 0 HG2 ARG A 54 33.410 17.480 11.115 1.00 0.00 H new ATOM 0 HG3 ARG A 54 34.321 16.029 10.745 1.00 0.00 H new ATOM 0 HD2 ARG A 54 32.289 15.560 12.167 1.00 0.00 H new ATOM 0 HD3 ARG A 54 33.779 15.047 12.933 1.00 0.00 H new ATOM 0 HE ARG A 54 32.953 17.825 13.648 1.00 0.00 H new ATOM 0 HH11 ARG A 54 32.412 18.089 15.827 1.00 0.00 H new ATOM 0 HH12 ARG A 54 32.166 16.673 16.854 1.00 0.00 H new ATOM 0 HH21 ARG A 54 32.810 14.390 14.286 1.00 0.00 H new ATOM 0 HH22 ARG A 54 32.389 14.597 15.989 1.00 0.00 H new ATOM 871 N THR A 55 34.907 18.549 9.299 1.00 0.00 N ATOM 872 CA THR A 55 34.295 19.611 8.435 1.00 0.00 C ATOM 873 C THR A 55 32.772 19.513 8.546 1.00 0.00 C ATOM 874 O THR A 55 32.256 18.689 9.272 1.00 0.00 O ATOM 875 CB THR A 55 34.704 19.381 6.977 1.00 0.00 C ATOM 876 OG1 THR A 55 34.164 18.148 6.525 1.00 0.00 O ATOM 877 CG2 THR A 55 36.231 19.343 6.863 1.00 0.00 C ATOM 0 H THR A 55 34.656 17.594 9.043 1.00 0.00 H new ATOM 0 HA THR A 55 34.636 20.594 8.758 1.00 0.00 H new ATOM 0 HB THR A 55 34.320 20.196 6.363 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.648 18.298 5.706 1.00 0.00 H new ATOM 0 HG21 THR A 55 36.514 19.179 5.823 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.645 20.291 7.207 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.622 18.532 7.478 1.00 0.00 H new ATOM 885 N LEU A 56 32.042 20.332 7.834 1.00 0.00 N ATOM 886 CA LEU A 56 30.554 20.250 7.917 1.00 0.00 C ATOM 887 C LEU A 56 30.085 18.965 7.228 1.00 0.00 C ATOM 888 O LEU A 56 29.329 18.192 7.787 1.00 0.00 O ATOM 889 CB LEU A 56 29.914 21.472 7.234 1.00 0.00 C ATOM 890 CG LEU A 56 29.934 22.676 8.186 1.00 0.00 C ATOM 891 CD1 LEU A 56 31.380 23.108 8.449 1.00 0.00 C ATOM 892 CD2 LEU A 56 29.166 23.838 7.553 1.00 0.00 C ATOM 0 H LEU A 56 32.407 21.047 7.205 1.00 0.00 H new ATOM 0 HA LEU A 56 30.251 20.239 8.964 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.455 21.712 6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.888 21.242 6.946 1.00 0.00 H new ATOM 0 HG LEU A 56 29.465 22.395 9.129 1.00 0.00 H new ATOM 0 HD11 LEU A 56 31.387 23.963 9.125 1.00 0.00 H new ATOM 0 HD12 LEU A 56 31.930 22.283 8.902 1.00 0.00 H new ATOM 0 HD13 LEU A 56 31.854 23.386 7.508 1.00 0.00 H new ATOM 0 HD21 LEU A 56 29.179 24.694 8.228 1.00 0.00 H new ATOM 0 HD22 LEU A 56 29.636 24.113 6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 56 28.135 23.536 7.370 1.00 0.00 H new ATOM 904 N SER A 57 30.537 18.711 6.028 1.00 0.00 N ATOM 905 CA SER A 57 30.114 17.459 5.342 1.00 0.00 C ATOM 906 C SER A 57 30.480 16.281 6.244 1.00 0.00 C ATOM 907 O SER A 57 29.655 15.460 6.585 1.00 0.00 O ATOM 908 CB SER A 57 30.838 17.332 4.002 1.00 0.00 C ATOM 909 OG SER A 57 32.241 17.283 4.230 1.00 0.00 O ATOM 0 H SER A 57 31.173 19.309 5.500 1.00 0.00 H new ATOM 0 HA SER A 57 29.040 17.473 5.154 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.511 16.432 3.482 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.591 18.178 3.360 1.00 0.00 H new ATOM 0 HG SER A 57 32.709 17.200 3.373 1.00 0.00 H new ATOM 915 N ASP A 58 31.722 16.203 6.628 1.00 0.00 N ATOM 916 CA ASP A 58 32.162 15.093 7.516 1.00 0.00 C ATOM 917 C ASP A 58 31.240 15.032 8.741 1.00 0.00 C ATOM 918 O ASP A 58 31.062 13.992 9.343 1.00 0.00 O ATOM 919 CB ASP A 58 33.602 15.337 7.969 1.00 0.00 C ATOM 920 CG ASP A 58 34.068 14.172 8.843 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.291 13.249 9.028 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.192 14.222 9.313 1.00 0.00 O ATOM 0 H ASP A 58 32.454 16.863 6.364 1.00 0.00 H new ATOM 0 HA ASP A 58 32.113 14.149 6.973 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.255 15.438 7.102 1.00 0.00 H new ATOM 0 HB3 ASP A 58 33.665 16.271 8.527 1.00 0.00 H new ATOM 927 N TYR A 59 30.651 16.141 9.113 1.00 0.00 N ATOM 928 CA TYR A 59 29.740 16.143 10.297 1.00 0.00 C ATOM 929 C TYR A 59 28.421 15.464 9.905 1.00 0.00 C ATOM 930 O TYR A 59 27.640 15.070 10.746 1.00 0.00 O ATOM 931 CB TYR A 59 29.485 17.609 10.738 1.00 0.00 C ATOM 932 CG TYR A 59 29.699 17.766 12.232 1.00 0.00 C ATOM 933 CD1 TYR A 59 30.521 18.791 12.721 1.00 0.00 C ATOM 934 CD2 TYR A 59 29.072 16.889 13.125 1.00 0.00 C ATOM 935 CE1 TYR A 59 30.716 18.937 14.099 1.00 0.00 C ATOM 936 CE2 TYR A 59 29.268 17.034 14.504 1.00 0.00 C ATOM 937 CZ TYR A 59 30.090 18.058 14.990 1.00 0.00 C ATOM 938 OH TYR A 59 30.280 18.202 16.351 1.00 0.00 O ATOM 0 H TYR A 59 30.762 17.043 8.649 1.00 0.00 H new ATOM 0 HA TYR A 59 30.190 15.599 11.127 1.00 0.00 H new ATOM 0 HB2 TYR A 59 30.155 18.278 10.198 1.00 0.00 H new ATOM 0 HB3 TYR A 59 28.467 17.900 10.479 1.00 0.00 H new ATOM 0 HD1 TYR A 59 31.004 19.469 12.033 1.00 0.00 H new ATOM 0 HD2 TYR A 59 28.437 16.100 12.750 1.00 0.00 H new ATOM 0 HE1 TYR A 59 31.349 19.727 14.475 1.00 0.00 H new ATOM 0 HE2 TYR A 59 28.785 16.356 15.192 1.00 0.00 H new ATOM 0 HH TYR A 59 29.774 17.511 16.827 1.00 0.00 H new ATOM 948 N ASN A 60 28.178 15.331 8.629 1.00 0.00 N ATOM 949 CA ASN A 60 26.920 14.681 8.161 1.00 0.00 C ATOM 950 C ASN A 60 25.713 15.464 8.682 1.00 0.00 C ATOM 951 O ASN A 60 24.906 14.955 9.435 1.00 0.00 O ATOM 952 CB ASN A 60 26.859 13.240 8.677 1.00 0.00 C ATOM 953 CG ASN A 60 28.218 12.567 8.471 1.00 0.00 C ATOM 954 OD1 ASN A 60 28.752 12.571 7.381 1.00 0.00 O ATOM 955 ND2 ASN A 60 28.803 11.986 9.483 1.00 0.00 N ATOM 0 H ASN A 60 28.801 15.647 7.886 1.00 0.00 H new ATOM 0 HA ASN A 60 26.904 14.673 7.071 1.00 0.00 H new ATOM 0 HB2 ASN A 60 26.594 13.232 9.734 1.00 0.00 H new ATOM 0 HB3 ASN A 60 26.083 12.686 8.149 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.709 11.535 9.358 1.00 0.00 H new ATOM 0 HD22 ASN A 60 28.354 11.983 10.399 1.00 0.00 H new ATOM 962 N ILE A 61 25.583 16.701 8.284 1.00 0.00 N ATOM 963 CA ILE A 61 24.429 17.519 8.756 1.00 0.00 C ATOM 964 C ILE A 61 23.127 16.855 8.297 1.00 0.00 C ATOM 965 O ILE A 61 23.055 16.282 7.229 1.00 0.00 O ATOM 966 CB ILE A 61 24.513 18.931 8.163 1.00 0.00 C ATOM 967 CG1 ILE A 61 25.900 19.531 8.429 1.00 0.00 C ATOM 968 CG2 ILE A 61 23.455 19.825 8.818 1.00 0.00 C ATOM 969 CD1 ILE A 61 26.089 20.800 7.586 1.00 0.00 C ATOM 0 H ILE A 61 26.225 17.180 7.653 1.00 0.00 H new ATOM 0 HA ILE A 61 24.452 17.586 9.844 1.00 0.00 H new ATOM 0 HB ILE A 61 24.340 18.872 7.088 1.00 0.00 H new ATOM 0 HG12 ILE A 61 26.007 19.768 9.488 1.00 0.00 H new ATOM 0 HG13 ILE A 61 26.674 18.803 8.185 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.515 20.828 8.396 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.464 19.412 8.632 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.633 19.872 9.892 1.00 0.00 H new ATOM 0 HD11 ILE A 61 27.075 21.222 7.779 1.00 0.00 H new ATOM 0 HD12 ILE A 61 26.002 20.551 6.529 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.324 21.530 7.851 1.00 0.00 H new ATOM 981 N GLN A 62 22.099 16.928 9.098 1.00 0.00 N ATOM 982 CA GLN A 62 20.803 16.300 8.709 1.00 0.00 C ATOM 983 C GLN A 62 20.041 17.233 7.764 1.00 0.00 C ATOM 984 O GLN A 62 19.722 16.876 6.647 1.00 0.00 O ATOM 985 CB GLN A 62 19.963 16.048 9.963 1.00 0.00 C ATOM 986 CG GLN A 62 18.656 15.354 9.574 1.00 0.00 C ATOM 987 CD GLN A 62 17.879 14.985 10.840 1.00 0.00 C ATOM 988 OE1 GLN A 62 17.988 15.653 11.849 1.00 0.00 O ATOM 989 NE2 GLN A 62 17.092 13.945 10.828 1.00 0.00 N ATOM 0 H GLN A 62 22.100 17.395 10.005 1.00 0.00 H new ATOM 0 HA GLN A 62 20.997 15.354 8.203 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.519 15.430 10.667 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.750 16.991 10.466 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.056 16.011 8.945 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.867 14.458 8.990 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.001 13.384 9.981 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.568 13.692 11.666 1.00 0.00 H new ATOM 998 N LYS A 63 19.740 18.425 8.205 1.00 0.00 N ATOM 999 CA LYS A 63 18.990 19.376 7.333 1.00 0.00 C ATOM 1000 C LYS A 63 19.918 19.913 6.239 1.00 0.00 C ATOM 1001 O LYS A 63 19.481 20.262 5.161 1.00 0.00 O ATOM 1002 CB LYS A 63 18.476 20.547 8.177 1.00 0.00 C ATOM 1003 CG LYS A 63 17.773 20.017 9.432 1.00 0.00 C ATOM 1004 CD LYS A 63 16.547 19.188 9.033 1.00 0.00 C ATOM 1005 CE LYS A 63 15.621 19.026 10.241 1.00 0.00 C ATOM 1006 NZ LYS A 63 16.325 18.263 11.309 1.00 0.00 N ATOM 0 H LYS A 63 19.980 18.781 9.130 1.00 0.00 H new ATOM 0 HA LYS A 63 18.149 18.856 6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.306 21.194 8.461 1.00 0.00 H new ATOM 0 HB3 LYS A 63 17.785 21.153 7.591 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.462 19.406 10.015 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.469 20.849 10.068 1.00 0.00 H new ATOM 0 HD2 LYS A 63 16.015 19.677 8.217 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.860 18.210 8.668 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.321 20.004 10.616 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.710 18.504 9.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.629 17.890 11.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.850 17.473 10.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.988 18.892 11.805 1.00 0.00 H new ATOM 1020 N GLU A 64 21.193 19.982 6.508 1.00 0.00 N ATOM 1021 CA GLU A 64 22.142 20.498 5.482 1.00 0.00 C ATOM 1022 C GLU A 64 21.661 21.860 4.980 1.00 0.00 C ATOM 1023 O GLU A 64 21.037 21.965 3.942 1.00 0.00 O ATOM 1024 CB GLU A 64 22.211 19.517 4.309 1.00 0.00 C ATOM 1025 CG GLU A 64 23.266 19.990 3.308 1.00 0.00 C ATOM 1026 CD GLU A 64 23.373 18.982 2.162 1.00 0.00 C ATOM 1027 OE1 GLU A 64 22.653 17.998 2.197 1.00 0.00 O ATOM 1028 OE2 GLU A 64 24.173 19.212 1.270 1.00 0.00 O ATOM 0 H GLU A 64 21.618 19.704 7.393 1.00 0.00 H new ATOM 0 HA GLU A 64 23.132 20.603 5.925 1.00 0.00 H new ATOM 0 HB2 GLU A 64 22.459 18.519 4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 64 21.238 19.447 3.822 1.00 0.00 H new ATOM 0 HG2 GLU A 64 22.998 20.972 2.918 1.00 0.00 H new ATOM 0 HG3 GLU A 64 24.231 20.096 3.804 1.00 0.00 H new HETATM 1035 N SEP A 65 21.943 22.906 5.708 1.00 0.00 N HETATM 1036 CA SEP A 65 21.499 24.261 5.271 1.00 0.00 C HETATM 1037 CB SEP A 65 19.989 24.391 5.474 1.00 0.00 C HETATM 1038 OG SEP A 65 19.536 25.594 4.867 1.00 0.00 O HETATM 1039 C SEP A 65 22.218 25.328 6.100 1.00 0.00 C HETATM 1040 O SEP A 65 23.188 25.050 6.778 1.00 0.00 O HETATM 1041 P SEP A 65 18.036 25.928 4.852 1.00 0.00 P HETATM 1042 O1P SEP A 65 17.304 24.552 5.022 1.00 0.00 O HETATM 1043 O2P SEP A 65 17.817 26.902 6.058 1.00 0.00 O HETATM 1044 O3P SEP A 65 17.777 26.598 3.458 1.00 0.00 O HETATM 0 HB3 SEP A 65 19.476 23.534 5.037 1.00 0.00 H new HETATM 0 HB2 SEP A 65 19.752 24.395 6.538 1.00 0.00 H new HETATM 0 HA SEP A 65 21.739 24.399 4.217 1.00 0.00 H new HETATM 1049 N TPO A 66 21.751 26.545 6.051 1.00 0.00 N HETATM 1050 CA TPO A 66 22.408 27.629 6.836 1.00 0.00 C HETATM 1051 CB TPO A 66 21.673 28.950 6.594 1.00 0.00 C HETATM 1052 CG2 TPO A 66 21.710 29.293 5.103 1.00 0.00 C HETATM 1053 OG1 TPO A 66 20.324 28.825 7.019 1.00 0.00 O HETATM 1054 P TPO A 66 19.326 29.964 6.758 1.00 0.00 P HETATM 1055 O1P TPO A 66 20.153 31.284 6.921 1.00 0.00 O HETATM 1056 O2P TPO A 66 18.209 29.793 7.844 1.00 0.00 O HETATM 1057 O3P TPO A 66 18.809 29.733 5.296 1.00 0.00 O HETATM 1058 C TPO A 66 22.356 27.284 8.325 1.00 0.00 C HETATM 1059 O TPO A 66 21.320 27.360 8.954 1.00 0.00 O HETATM 0 HG23 TPO A 66 22.746 29.390 4.778 1.00 0.00 H new HETATM 0 HG22 TPO A 66 21.224 28.500 4.535 1.00 0.00 H new HETATM 0 HG21 TPO A 66 21.186 30.234 4.933 1.00 0.00 H new HETATM 0 HB TPO A 66 22.160 29.745 7.159 1.00 0.00 H new HETATM 0 HA TPO A 66 23.447 27.727 6.521 1.00 0.00 H new HETATM 0 H TPO A 66 20.939 26.756 5.470 1.00 0.00 H new ATOM 1066 N LEU A 67 23.468 26.902 8.896 1.00 0.00 N ATOM 1067 CA LEU A 67 23.485 26.549 10.346 1.00 0.00 C ATOM 1068 C LEU A 67 23.731 27.806 11.182 1.00 0.00 C ATOM 1069 O LEU A 67 24.263 28.792 10.705 1.00 0.00 O ATOM 1070 CB LEU A 67 24.609 25.545 10.619 1.00 0.00 C ATOM 1071 CG LEU A 67 24.454 24.320 9.710 1.00 0.00 C ATOM 1072 CD1 LEU A 67 25.582 23.325 10.013 1.00 0.00 C ATOM 1073 CD2 LEU A 67 23.093 23.648 9.958 1.00 0.00 C ATOM 0 H LEU A 67 24.366 26.819 8.420 1.00 0.00 H new ATOM 0 HA LEU A 67 22.524 26.111 10.614 1.00 0.00 H new ATOM 0 HB2 LEU A 67 25.577 26.015 10.446 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.586 25.237 11.664 1.00 0.00 H new ATOM 0 HG LEU A 67 24.507 24.634 8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.478 22.451 9.370 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.545 23.800 9.828 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.524 23.017 11.057 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.992 22.779 9.308 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.028 23.332 10.999 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.293 24.356 9.743 1.00 0.00 H new ATOM 1085 N HIS A 68 23.349 27.768 12.437 1.00 0.00 N ATOM 1086 CA HIS A 68 23.556 28.939 13.343 1.00 0.00 C ATOM 1087 C HIS A 68 24.351 28.479 14.565 1.00 0.00 C ATOM 1088 O HIS A 68 24.007 27.504 15.205 1.00 0.00 O ATOM 1089 CB HIS A 68 22.196 29.477 13.795 1.00 0.00 C ATOM 1090 CG HIS A 68 21.440 29.995 12.603 1.00 0.00 C ATOM 1091 ND1 HIS A 68 20.740 29.155 11.748 1.00 0.00 N ATOM 1092 CD2 HIS A 68 21.262 31.265 12.109 1.00 0.00 C ATOM 1093 CE1 HIS A 68 20.180 29.921 10.794 1.00 0.00 C ATOM 1094 NE2 HIS A 68 20.467 31.212 10.970 1.00 0.00 N ATOM 0 H HIS A 68 22.898 26.965 12.875 1.00 0.00 H new ATOM 0 HA HIS A 68 24.100 29.725 12.819 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.626 28.688 14.286 1.00 0.00 H new ATOM 0 HB3 HIS A 68 22.333 30.274 14.526 1.00 0.00 H new ATOM 0 HD2 HIS A 68 21.676 32.165 12.539 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.574 29.538 9.986 1.00 0.00 H new ATOM 0 HE2 HIS A 68 20.166 31.996 10.390 1.00 0.00 H new ATOM 1103 N LEU A 69 25.411 29.174 14.896 1.00 0.00 N ATOM 1104 CA LEU A 69 26.245 28.793 16.082 1.00 0.00 C ATOM 1105 C LEU A 69 26.065 29.857 17.167 1.00 0.00 C ATOM 1106 O LEU A 69 25.563 30.934 16.911 1.00 0.00 O ATOM 1107 CB LEU A 69 27.726 28.732 15.663 1.00 0.00 C ATOM 1108 CG LEU A 69 28.060 27.351 15.082 1.00 0.00 C ATOM 1109 CD1 LEU A 69 27.244 27.104 13.805 1.00 0.00 C ATOM 1110 CD2 LEU A 69 29.556 27.294 14.754 1.00 0.00 C ATOM 0 H LEU A 69 25.739 29.997 14.391 1.00 0.00 H new ATOM 0 HA LEU A 69 25.937 27.819 16.461 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.934 29.505 14.923 1.00 0.00 H new ATOM 0 HB3 LEU A 69 28.363 28.935 16.524 1.00 0.00 H new ATOM 0 HG LEU A 69 27.811 26.582 15.813 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.489 26.122 13.401 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.180 27.145 14.039 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.483 27.870 13.067 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.801 26.316 14.341 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.798 28.067 14.025 1.00 0.00 H new ATOM 0 HD23 LEU A 69 30.134 27.459 15.663 1.00 0.00 H new ATOM 1122 N VAL A 70 26.474 29.572 18.377 1.00 0.00 N ATOM 1123 CA VAL A 70 26.334 30.572 19.480 1.00 0.00 C ATOM 1124 C VAL A 70 27.602 30.555 20.334 1.00 0.00 C ATOM 1125 O VAL A 70 27.893 29.586 21.008 1.00 0.00 O ATOM 1126 CB VAL A 70 25.131 30.203 20.350 1.00 0.00 C ATOM 1127 CG1 VAL A 70 24.992 31.219 21.486 1.00 0.00 C ATOM 1128 CG2 VAL A 70 23.862 30.220 19.497 1.00 0.00 C ATOM 0 H VAL A 70 26.901 28.687 18.650 1.00 0.00 H new ATOM 0 HA VAL A 70 26.186 31.567 19.059 1.00 0.00 H new ATOM 0 HB VAL A 70 25.277 29.207 20.768 1.00 0.00 H new ATOM 0 HG11 VAL A 70 24.135 30.956 22.106 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.896 31.210 22.094 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.846 32.215 21.068 1.00 0.00 H new ATOM 0 HG21 VAL A 70 23.004 29.957 20.116 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.717 31.217 19.080 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.959 29.498 18.686 1.00 0.00 H new ATOM 1138 N LEU A 71 28.364 31.618 20.316 1.00 0.00 N ATOM 1139 CA LEU A 71 29.613 31.665 21.129 1.00 0.00 C ATOM 1140 C LEU A 71 29.255 32.060 22.561 1.00 0.00 C ATOM 1141 O LEU A 71 28.331 32.815 22.785 1.00 0.00 O ATOM 1142 CB LEU A 71 30.555 32.715 20.515 1.00 0.00 C ATOM 1143 CG LEU A 71 31.960 32.667 21.179 1.00 0.00 C ATOM 1144 CD1 LEU A 71 33.044 32.981 20.140 1.00 0.00 C ATOM 1145 CD2 LEU A 71 32.056 33.712 22.302 1.00 0.00 C ATOM 0 H LEU A 71 28.173 32.458 19.770 1.00 0.00 H new ATOM 0 HA LEU A 71 30.105 30.692 21.137 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.650 32.540 19.443 1.00 0.00 H new ATOM 0 HB3 LEU A 71 30.125 33.709 20.638 1.00 0.00 H new ATOM 0 HG LEU A 71 32.107 31.667 21.587 1.00 0.00 H new ATOM 0 HD11 LEU A 71 34.024 32.945 20.615 1.00 0.00 H new ATOM 0 HD12 LEU A 71 33.002 32.245 19.337 1.00 0.00 H new ATOM 0 HD13 LEU A 71 32.876 33.976 19.729 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.045 33.667 22.758 1.00 0.00 H new ATOM 0 HD22 LEU A 71 31.892 34.707 21.888 1.00 0.00 H new ATOM 0 HD23 LEU A 71 31.299 33.504 23.058 1.00 0.00 H new ATOM 1157 N ARG A 72 29.982 31.563 23.534 1.00 0.00 N ATOM 1158 CA ARG A 72 29.696 31.915 24.963 1.00 0.00 C ATOM 1159 C ARG A 72 30.958 32.521 25.581 1.00 0.00 C ATOM 1160 O ARG A 72 32.042 32.373 25.052 1.00 0.00 O ATOM 1161 CB ARG A 72 29.321 30.642 25.727 1.00 0.00 C ATOM 1162 CG ARG A 72 28.713 31.014 27.082 1.00 0.00 C ATOM 1163 CD ARG A 72 28.193 29.753 27.774 1.00 0.00 C ATOM 1164 NE ARG A 72 27.060 29.187 26.989 1.00 0.00 N ATOM 1165 CZ ARG A 72 26.483 28.082 27.378 1.00 0.00 C ATOM 1166 NH1 ARG A 72 25.488 27.589 26.692 1.00 0.00 N ATOM 1167 NH2 ARG A 72 26.901 27.472 28.453 1.00 0.00 N ATOM 0 H ARG A 72 30.766 30.925 23.399 1.00 0.00 H new ATOM 0 HA ARG A 72 28.875 32.629 25.017 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.609 30.055 25.147 1.00 0.00 H new ATOM 0 HB3 ARG A 72 30.204 30.020 25.872 1.00 0.00 H new ATOM 0 HG2 ARG A 72 29.462 31.501 27.707 1.00 0.00 H new ATOM 0 HG3 ARG A 72 27.900 31.727 26.944 1.00 0.00 H new ATOM 0 HD2 ARG A 72 28.992 29.017 27.861 1.00 0.00 H new ATOM 0 HD3 ARG A 72 27.866 29.990 28.786 1.00 0.00 H new ATOM 0 HE ARG A 72 26.735 29.663 26.147 1.00 0.00 H new ATOM 0 HH11 ARG A 72 25.161 28.067 25.852 1.00 0.00 H new ATOM 0 HH12 ARG A 72 25.037 26.726 26.996 1.00 0.00 H new ATOM 0 HH21 ARG A 72 27.678 27.858 28.989 1.00 0.00 H new ATOM 0 HH22 ARG A 72 26.451 26.609 28.757 1.00 0.00 H new ATOM 1181 N LEU A 73 30.830 33.198 26.697 1.00 0.00 N ATOM 1182 CA LEU A 73 32.023 33.818 27.362 1.00 0.00 C ATOM 1183 C LEU A 73 32.271 33.105 28.693 1.00 0.00 C ATOM 1184 O LEU A 73 31.353 32.844 29.446 1.00 0.00 O ATOM 1185 CB LEU A 73 31.734 35.301 27.622 1.00 0.00 C ATOM 1186 CG LEU A 73 32.971 35.991 28.221 1.00 0.00 C ATOM 1187 CD1 LEU A 73 34.125 36.004 27.202 1.00 0.00 C ATOM 1188 CD2 LEU A 73 32.597 37.430 28.599 1.00 0.00 C ATOM 0 H LEU A 73 29.944 33.349 27.180 1.00 0.00 H new ATOM 0 HA LEU A 73 32.902 33.724 26.724 1.00 0.00 H new ATOM 0 HB2 LEU A 73 31.451 35.792 26.691 1.00 0.00 H new ATOM 0 HB3 LEU A 73 30.889 35.399 28.303 1.00 0.00 H new ATOM 0 HG LEU A 73 33.299 35.444 29.105 1.00 0.00 H new ATOM 0 HD11 LEU A 73 34.993 36.496 27.641 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.385 34.980 26.934 1.00 0.00 H new ATOM 0 HD13 LEU A 73 33.815 36.545 26.308 1.00 0.00 H new ATOM 0 HD21 LEU A 73 33.466 37.932 29.025 1.00 0.00 H new ATOM 0 HD22 LEU A 73 32.269 37.966 27.709 1.00 0.00 H new ATOM 0 HD23 LEU A 73 31.790 37.416 29.332 1.00 0.00 H new ATOM 1200 N ARG A 74 33.501 32.789 28.993 1.00 0.00 N ATOM 1201 CA ARG A 74 33.792 32.098 30.281 1.00 0.00 C ATOM 1202 C ARG A 74 33.521 33.058 31.440 1.00 0.00 C ATOM 1203 O ARG A 74 33.029 32.667 32.481 1.00 0.00 O ATOM 1204 CB ARG A 74 35.260 31.659 30.313 1.00 0.00 C ATOM 1205 CG ARG A 74 35.580 30.778 29.094 1.00 0.00 C ATOM 1206 CD ARG A 74 35.014 29.363 29.285 1.00 0.00 C ATOM 1207 NE ARG A 74 35.451 28.813 30.600 1.00 0.00 N ATOM 1208 CZ ARG A 74 34.938 27.699 31.042 1.00 0.00 C ATOM 1209 NH1 ARG A 74 35.319 27.219 32.195 1.00 0.00 N ATOM 1210 NH2 ARG A 74 34.045 27.065 30.333 1.00 0.00 N ATOM 0 H ARG A 74 34.313 32.978 28.406 1.00 0.00 H new ATOM 0 HA ARG A 74 33.153 31.220 30.374 1.00 0.00 H new ATOM 0 HB2 ARG A 74 35.909 32.535 30.317 1.00 0.00 H new ATOM 0 HB3 ARG A 74 35.462 31.108 31.232 1.00 0.00 H new ATOM 0 HG2 ARG A 74 35.158 31.226 28.194 1.00 0.00 H new ATOM 0 HG3 ARG A 74 36.659 30.727 28.949 1.00 0.00 H new ATOM 0 HD2 ARG A 74 33.925 29.388 29.235 1.00 0.00 H new ATOM 0 HD3 ARG A 74 35.355 28.714 28.478 1.00 0.00 H new ATOM 0 HE ARG A 74 36.151 29.308 31.153 1.00 0.00 H new ATOM 0 HH11 ARG A 74 36.017 27.716 32.749 1.00 0.00 H new ATOM 0 HH12 ARG A 74 34.918 26.348 32.542 1.00 0.00 H new ATOM 0 HH21 ARG A 74 33.748 27.441 29.433 1.00 0.00 H new ATOM 0 HH22 ARG A 74 33.644 26.193 30.679 1.00 0.00 H new ATOM 1224 N GLY A 75 33.838 34.312 31.269 1.00 0.00 N ATOM 1225 CA GLY A 75 33.597 35.297 32.364 1.00 0.00 C ATOM 1226 C GLY A 75 34.719 35.197 33.399 1.00 0.00 C ATOM 1227 O GLY A 75 34.702 35.868 34.411 1.00 0.00 O ATOM 0 H GLY A 75 34.253 34.698 30.421 1.00 0.00 H new ATOM 0 HA2 GLY A 75 33.554 36.307 31.956 1.00 0.00 H new ATOM 0 HA3 GLY A 75 32.634 35.103 32.836 1.00 0.00 H new ATOM 1231 N GLY A 76 35.693 34.365 33.153 1.00 0.00 N ATOM 1232 CA GLY A 76 36.813 34.223 34.126 1.00 0.00 C ATOM 1233 C GLY A 76 37.802 33.174 33.616 1.00 0.00 C ATOM 1234 O GLY A 76 37.465 32.002 33.656 1.00 0.00 O ATOM 1235 OXT GLY A 76 38.880 33.559 33.195 1.00 0.00 O ATOM 0 H GLY A 76 35.762 33.778 32.322 1.00 0.00 H new ATOM 0 HA2 GLY A 76 37.318 35.180 34.258 1.00 0.00 H new ATOM 0 HA3 GLY A 76 36.426 33.929 35.102 1.00 0.00 H new TER 1239 GLY A 76