USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 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 Set 1.1: A 25 ASN : amide:sc= -1.87! C(o=-2.4!,f=-16!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 143:sc= -0.494 (180deg=-0.276) USER MOD Set 2.1: A 7 THR OG1 : rot -160:sc= 0.664 USER MOD Set 2.2: A 9 THR OG1 : rot -16:sc= 0.379 USER MOD Single : A 1 MET CE :methyl -157:sc= 0 (180deg=-0.563) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.681 (180deg=-0.317) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= -0.0916 (180deg=-0.665) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -84:sc= 0.745 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.27 USER MOD Single : A 27 LYS NZ :NH3+ -112:sc= -3.77 (180deg=-7.91!) USER MOD Single : A 31 GLN : amide:sc= -3.77! C(o=-3.8!,f=-4.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.835 X(o=-0.84,f=-0.77) USER MOD Single : A 41 GLN : amide:sc= -2.1 X(o=-2.1,f=-2.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -5.93! C(o=-5.9!,f=-5.8!) USER MOD Single : A 55 THR OG1 : rot 26:sc= 1.18 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.395 USER MOD Single : A 60 ASN : amide:sc= 0.34 K(o=0.34,f=-1.9!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.367) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0129 X(o=-0.013,f=-0.097) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.138 31.348 2.423 1.00 0.00 N ATOM 2 CA MET A 1 33.110 32.644 3.157 1.00 0.00 C ATOM 3 C MET A 1 33.834 32.483 4.488 1.00 0.00 C ATOM 4 O MET A 1 34.010 31.367 4.980 1.00 0.00 O ATOM 5 CB MET A 1 31.657 33.067 3.396 1.00 0.00 C ATOM 6 CG MET A 1 30.935 31.999 4.221 1.00 0.00 C ATOM 7 SD MET A 1 29.159 32.355 4.241 1.00 0.00 S ATOM 8 CE MET A 1 28.827 31.852 5.949 1.00 0.00 C ATOM 0 H1 MET A 1 32.345 31.312 1.751 1.00 0.00 H new ATOM 0 H2 MET A 1 34.035 31.262 1.904 1.00 0.00 H new ATOM 0 H3 MET A 1 33.053 30.563 3.100 1.00 0.00 H new ATOM 0 HA MET A 1 33.609 33.413 2.567 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.628 34.024 3.918 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.148 33.209 2.442 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.115 31.012 3.796 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.326 31.984 5.238 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.772 31.601 6.056 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.434 30.981 6.196 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.075 32.671 6.624 1.00 0.00 H new ATOM 20 N GLN A 2 34.254 33.605 5.071 1.00 0.00 N ATOM 21 CA GLN A 2 34.964 33.588 6.349 1.00 0.00 C ATOM 22 C GLN A 2 34.156 34.319 7.421 1.00 0.00 C ATOM 23 O GLN A 2 33.299 35.145 7.111 1.00 0.00 O ATOM 24 CB GLN A 2 36.323 34.277 6.186 1.00 0.00 C ATOM 25 CG GLN A 2 37.275 33.368 5.404 1.00 0.00 C ATOM 26 CD GLN A 2 38.623 34.058 5.222 1.00 0.00 C ATOM 27 OE1 GLN A 2 38.678 35.273 5.031 1.00 0.00 O ATOM 28 NE2 GLN A 2 39.720 33.352 5.271 1.00 0.00 N ATOM 0 H GLN A 2 34.115 34.536 4.679 1.00 0.00 H new ATOM 0 HA GLN A 2 35.104 32.552 6.657 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.200 35.225 5.663 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.745 34.505 7.165 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.408 32.425 5.934 1.00 0.00 H new ATOM 0 HG3 GLN A 2 36.845 33.129 4.431 1.00 0.00 H new ATOM 0 HE21 GLN A 2 39.672 32.346 5.429 1.00 0.00 H new ATOM 0 HE22 GLN A 2 40.625 33.807 5.151 1.00 0.00 H new ATOM 37 N ILE A 3 34.463 34.024 8.680 1.00 0.00 N ATOM 38 CA ILE A 3 33.792 34.674 9.804 1.00 0.00 C ATOM 39 C ILE A 3 34.689 34.657 11.027 1.00 0.00 C ATOM 40 O ILE A 3 35.741 34.021 11.029 1.00 0.00 O ATOM 41 CB ILE A 3 32.446 34.011 10.132 1.00 0.00 C ATOM 42 CG1 ILE A 3 32.623 32.484 10.237 1.00 0.00 C ATOM 43 CG2 ILE A 3 31.417 34.363 9.046 1.00 0.00 C ATOM 44 CD1 ILE A 3 31.263 31.789 10.143 1.00 0.00 C ATOM 0 H ILE A 3 35.171 33.340 8.949 1.00 0.00 H new ATOM 0 HA ILE A 3 33.590 35.705 9.513 1.00 0.00 H new ATOM 0 HB ILE A 3 32.084 34.383 11.091 1.00 0.00 H new ATOM 0 HG12 ILE A 3 33.277 32.130 9.440 1.00 0.00 H new ATOM 0 HG13 ILE A 3 33.105 32.230 11.181 1.00 0.00 H new ATOM 0 HG21 ILE A 3 30.463 33.891 9.282 1.00 0.00 H new ATOM 0 HG22 ILE A 3 31.286 35.444 9.005 1.00 0.00 H new ATOM 0 HG23 ILE A 3 31.771 34.004 8.080 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.400 30.710 10.218 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.623 32.131 10.956 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.797 32.030 9.188 1.00 0.00 H new ATOM 56 N PHE A 4 34.267 35.377 12.062 1.00 0.00 N ATOM 57 CA PHE A 4 35.038 35.465 13.301 1.00 0.00 C ATOM 58 C PHE A 4 34.320 34.747 14.434 1.00 0.00 C ATOM 59 O PHE A 4 33.101 34.853 14.572 1.00 0.00 O ATOM 60 CB PHE A 4 35.225 36.934 13.681 1.00 0.00 C ATOM 61 CG PHE A 4 36.096 37.624 12.658 1.00 0.00 C ATOM 62 CD1 PHE A 4 35.512 38.255 11.554 1.00 0.00 C ATOM 63 CD2 PHE A 4 37.485 37.641 12.820 1.00 0.00 C ATOM 64 CE1 PHE A 4 36.318 38.904 10.610 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.293 38.289 11.875 1.00 0.00 C ATOM 66 CZ PHE A 4 37.709 38.921 10.771 1.00 0.00 C ATOM 0 H PHE A 4 33.396 35.908 12.069 1.00 0.00 H new ATOM 0 HA PHE A 4 36.007 34.992 13.140 1.00 0.00 H new ATOM 0 HB2 PHE A 4 34.256 37.429 13.739 1.00 0.00 H new ATOM 0 HB3 PHE A 4 35.681 37.008 14.668 1.00 0.00 H new ATOM 0 HD1 PHE A 4 34.439 38.242 11.430 1.00 0.00 H new ATOM 0 HD2 PHE A 4 37.935 37.155 13.673 1.00 0.00 H new ATOM 0 HE1 PHE A 4 35.867 39.391 9.758 1.00 0.00 H new ATOM 0 HE2 PHE A 4 39.366 38.301 11.999 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.331 39.422 10.044 1.00 0.00 H new ATOM 76 N VAL A 5 35.087 34.030 15.257 1.00 0.00 N ATOM 77 CA VAL A 5 34.529 33.309 16.396 1.00 0.00 C ATOM 78 C VAL A 5 35.110 33.873 17.679 1.00 0.00 C ATOM 79 O VAL A 5 36.325 34.015 17.817 1.00 0.00 O ATOM 80 CB VAL A 5 34.840 31.814 16.282 1.00 0.00 C ATOM 81 CG1 VAL A 5 34.522 31.111 17.610 1.00 0.00 C ATOM 82 CG2 VAL A 5 33.968 31.215 15.178 1.00 0.00 C ATOM 0 H VAL A 5 36.097 33.935 15.154 1.00 0.00 H new ATOM 0 HA VAL A 5 33.446 33.432 16.407 1.00 0.00 H new ATOM 0 HB VAL A 5 35.896 31.677 16.048 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.746 30.048 17.522 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.128 31.544 18.405 1.00 0.00 H new ATOM 0 HG13 VAL A 5 33.466 31.241 17.847 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.179 30.150 15.085 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.916 31.356 15.428 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.186 31.712 14.232 1.00 0.00 H new ATOM 92 N LYS A 6 34.223 34.205 18.603 1.00 0.00 N ATOM 93 CA LYS A 6 34.626 34.780 19.888 1.00 0.00 C ATOM 94 C LYS A 6 34.340 33.809 21.026 1.00 0.00 C ATOM 95 O LYS A 6 33.248 33.252 21.115 1.00 0.00 O ATOM 96 CB LYS A 6 33.843 36.075 20.117 1.00 0.00 C ATOM 97 CG LYS A 6 34.386 37.188 19.212 1.00 0.00 C ATOM 98 CD LYS A 6 33.797 38.524 19.666 1.00 0.00 C ATOM 99 CE LYS A 6 34.202 39.627 18.686 1.00 0.00 C ATOM 100 NZ LYS A 6 33.578 40.913 19.108 1.00 0.00 N ATOM 0 H LYS A 6 33.216 34.088 18.492 1.00 0.00 H new ATOM 0 HA LYS A 6 35.697 34.982 19.867 1.00 0.00 H new ATOM 0 HB2 LYS A 6 32.786 35.911 19.910 1.00 0.00 H new ATOM 0 HB3 LYS A 6 33.920 36.376 21.162 1.00 0.00 H new ATOM 0 HG2 LYS A 6 35.474 37.219 19.263 1.00 0.00 H new ATOM 0 HG3 LYS A 6 34.121 36.992 18.173 1.00 0.00 H new ATOM 0 HD2 LYS A 6 32.711 38.454 19.720 1.00 0.00 H new ATOM 0 HD3 LYS A 6 34.151 38.767 20.668 1.00 0.00 H new ATOM 0 HE2 LYS A 6 35.287 39.727 18.661 1.00 0.00 H new ATOM 0 HE3 LYS A 6 33.882 39.368 17.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 33.851 41.666 18.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 32.543 40.812 19.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 33.904 41.160 20.064 1.00 0.00 H new ATOM 114 N THR A 7 35.326 33.616 21.908 1.00 0.00 N ATOM 115 CA THR A 7 35.162 32.712 23.053 1.00 0.00 C ATOM 116 C THR A 7 35.055 33.512 24.349 1.00 0.00 C ATOM 117 O THR A 7 35.096 34.743 24.339 1.00 0.00 O ATOM 118 CB THR A 7 36.346 31.746 23.146 1.00 0.00 C ATOM 119 OG1 THR A 7 37.462 32.421 23.707 1.00 0.00 O ATOM 120 CG2 THR A 7 36.702 31.230 21.751 1.00 0.00 C ATOM 0 H THR A 7 36.238 34.069 21.853 1.00 0.00 H new ATOM 0 HA THR A 7 34.246 32.140 22.907 1.00 0.00 H new ATOM 0 HB THR A 7 36.077 30.902 23.780 1.00 0.00 H new ATOM 0 HG1 THR A 7 38.284 31.936 23.484 1.00 0.00 H new ATOM 0 HG21 THR A 7 37.545 30.543 21.821 1.00 0.00 H new ATOM 0 HG22 THR A 7 35.844 30.709 21.326 1.00 0.00 H new ATOM 0 HG23 THR A 7 36.971 32.070 21.110 1.00 0.00 H new ATOM 128 N LEU A 8 34.937 32.811 25.468 1.00 0.00 N ATOM 129 CA LEU A 8 34.831 33.477 26.758 1.00 0.00 C ATOM 130 C LEU A 8 36.160 34.120 27.152 1.00 0.00 C ATOM 131 O LEU A 8 36.182 35.129 27.855 1.00 0.00 O ATOM 132 CB LEU A 8 34.396 32.474 27.834 1.00 0.00 C ATOM 133 CG LEU A 8 33.907 33.226 29.092 1.00 0.00 C ATOM 134 CD1 LEU A 8 32.414 33.560 28.955 1.00 0.00 C ATOM 135 CD2 LEU A 8 34.114 32.349 30.335 1.00 0.00 C ATOM 0 H LEU A 8 34.912 31.792 25.509 1.00 0.00 H new ATOM 0 HA LEU A 8 34.081 34.263 26.675 1.00 0.00 H new ATOM 0 HB2 LEU A 8 33.600 31.837 27.448 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.230 31.821 28.092 1.00 0.00 H new ATOM 0 HG LEU A 8 34.478 34.148 29.195 1.00 0.00 H new ATOM 0 HD11 LEU A 8 32.077 34.090 29.846 1.00 0.00 H new ATOM 0 HD12 LEU A 8 32.261 34.189 28.078 1.00 0.00 H new ATOM 0 HD13 LEU A 8 31.844 32.638 28.844 1.00 0.00 H new ATOM 0 HD21 LEU A 8 33.768 32.884 31.219 1.00 0.00 H new ATOM 0 HD22 LEU A 8 33.548 31.424 30.226 1.00 0.00 H new ATOM 0 HD23 LEU A 8 35.173 32.116 30.444 1.00 0.00 H new ATOM 147 N THR A 9 37.265 33.534 26.701 1.00 0.00 N ATOM 148 CA THR A 9 38.583 34.073 27.027 1.00 0.00 C ATOM 149 C THR A 9 38.900 35.299 26.176 1.00 0.00 C ATOM 150 O THR A 9 40.025 35.799 26.195 1.00 0.00 O ATOM 151 CB THR A 9 39.662 33.007 26.814 1.00 0.00 C ATOM 152 OG1 THR A 9 39.590 32.517 25.483 1.00 0.00 O ATOM 153 CG2 THR A 9 39.450 31.857 27.798 1.00 0.00 C ATOM 0 H THR A 9 37.277 32.698 26.117 1.00 0.00 H new ATOM 0 HA THR A 9 38.572 34.371 28.075 1.00 0.00 H new ATOM 0 HB THR A 9 40.644 33.448 26.984 1.00 0.00 H new ATOM 0 HG1 THR A 9 38.733 32.776 25.085 1.00 0.00 H new ATOM 0 HG21 THR A 9 40.219 31.100 27.644 1.00 0.00 H new ATOM 0 HG22 THR A 9 39.512 32.235 28.818 1.00 0.00 H new ATOM 0 HG23 THR A 9 38.467 31.414 27.634 1.00 0.00 H new ATOM 161 N GLY A 10 37.904 35.794 25.443 1.00 0.00 N ATOM 162 CA GLY A 10 38.104 36.972 24.610 1.00 0.00 C ATOM 163 C GLY A 10 39.034 36.670 23.441 1.00 0.00 C ATOM 164 O GLY A 10 39.662 37.572 22.889 1.00 0.00 O ATOM 0 H GLY A 10 36.963 35.402 25.410 1.00 0.00 H new ATOM 0 HA2 GLY A 10 37.143 37.321 24.232 1.00 0.00 H new ATOM 0 HA3 GLY A 10 38.522 37.779 25.212 1.00 0.00 H new ATOM 168 N LYS A 11 39.106 35.397 23.057 1.00 0.00 N ATOM 169 CA LYS A 11 39.950 34.991 21.938 1.00 0.00 C ATOM 170 C LYS A 11 39.158 35.090 20.644 1.00 0.00 C ATOM 171 O LYS A 11 38.022 34.622 20.568 1.00 0.00 O ATOM 172 CB LYS A 11 40.425 33.547 22.132 1.00 0.00 C ATOM 173 CG LYS A 11 41.479 33.201 21.074 1.00 0.00 C ATOM 174 CD LYS A 11 42.033 31.799 21.346 1.00 0.00 C ATOM 175 CE LYS A 11 43.065 31.434 20.277 1.00 0.00 C ATOM 176 NZ LYS A 11 44.154 32.450 20.268 1.00 0.00 N ATOM 0 H LYS A 11 38.594 34.635 23.501 1.00 0.00 H new ATOM 0 HA LYS A 11 40.818 35.649 21.891 1.00 0.00 H new ATOM 0 HB2 LYS A 11 40.844 33.423 23.130 1.00 0.00 H new ATOM 0 HB3 LYS A 11 39.580 32.863 22.054 1.00 0.00 H new ATOM 0 HG2 LYS A 11 41.038 33.243 20.078 1.00 0.00 H new ATOM 0 HG3 LYS A 11 42.286 33.933 21.096 1.00 0.00 H new ATOM 0 HD2 LYS A 11 42.492 31.764 22.334 1.00 0.00 H new ATOM 0 HD3 LYS A 11 41.222 31.071 21.345 1.00 0.00 H new ATOM 0 HE2 LYS A 11 43.478 30.445 20.478 1.00 0.00 H new ATOM 0 HE3 LYS A 11 42.589 31.388 19.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 44.998 32.050 19.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 43.840 33.290 19.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 44.385 32.720 21.245 1.00 0.00 H new ATOM 190 N THR A 12 39.761 35.695 19.621 1.00 0.00 N ATOM 191 CA THR A 12 39.105 35.840 18.320 1.00 0.00 C ATOM 192 C THR A 12 39.888 35.082 17.263 1.00 0.00 C ATOM 193 O THR A 12 41.080 35.315 17.071 1.00 0.00 O ATOM 194 CB THR A 12 39.020 37.314 17.921 1.00 0.00 C ATOM 195 OG1 THR A 12 38.273 38.026 18.898 1.00 0.00 O ATOM 196 CG2 THR A 12 38.325 37.433 16.559 1.00 0.00 C ATOM 0 H THR A 12 40.700 36.092 19.667 1.00 0.00 H new ATOM 0 HA THR A 12 38.096 35.434 18.396 1.00 0.00 H new ATOM 0 HB THR A 12 40.024 37.733 17.855 1.00 0.00 H new ATOM 0 HG1 THR A 12 38.219 38.971 18.644 1.00 0.00 H new ATOM 0 HG21 THR A 12 38.263 38.483 16.273 1.00 0.00 H new ATOM 0 HG22 THR A 12 38.897 36.885 15.810 1.00 0.00 H new ATOM 0 HG23 THR A 12 37.320 37.015 16.625 1.00 0.00 H new ATOM 204 N ILE A 13 39.203 34.176 16.580 1.00 0.00 N ATOM 205 CA ILE A 13 39.828 33.377 15.530 1.00 0.00 C ATOM 206 C ILE A 13 38.930 33.331 14.308 1.00 0.00 C ATOM 207 O ILE A 13 37.707 33.248 14.427 1.00 0.00 O ATOM 208 CB ILE A 13 40.103 31.961 16.033 1.00 0.00 C ATOM 209 CG1 ILE A 13 40.901 31.198 14.973 1.00 0.00 C ATOM 210 CG2 ILE A 13 38.783 31.240 16.297 1.00 0.00 C ATOM 211 CD1 ILE A 13 41.278 29.818 15.515 1.00 0.00 C ATOM 0 H ILE A 13 38.215 33.974 16.732 1.00 0.00 H new ATOM 0 HA ILE A 13 40.776 33.840 15.256 1.00 0.00 H new ATOM 0 HB ILE A 13 40.674 32.009 16.960 1.00 0.00 H new ATOM 0 HG12 ILE A 13 40.311 31.094 14.063 1.00 0.00 H new ATOM 0 HG13 ILE A 13 41.800 31.755 14.708 1.00 0.00 H new ATOM 0 HG21 ILE A 13 38.985 30.231 16.655 1.00 0.00 H new ATOM 0 HG22 ILE A 13 38.215 31.786 17.050 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.206 31.188 15.374 1.00 0.00 H new ATOM 0 HD11 ILE A 13 41.846 29.274 14.761 1.00 0.00 H new ATOM 0 HD12 ILE A 13 41.884 29.933 16.413 1.00 0.00 H new ATOM 0 HD13 ILE A 13 40.372 29.262 15.758 1.00 0.00 H new ATOM 223 N THR A 14 39.542 33.391 13.136 1.00 0.00 N ATOM 224 CA THR A 14 38.785 33.357 11.889 1.00 0.00 C ATOM 225 C THR A 14 38.710 31.936 11.347 1.00 0.00 C ATOM 226 O THR A 14 39.691 31.191 11.374 1.00 0.00 O ATOM 227 CB THR A 14 39.432 34.279 10.855 1.00 0.00 C ATOM 228 OG1 THR A 14 39.759 35.517 11.472 1.00 0.00 O ATOM 229 CG2 THR A 14 38.448 34.526 9.704 1.00 0.00 C ATOM 0 H THR A 14 40.553 33.463 13.019 1.00 0.00 H new ATOM 0 HA THR A 14 37.772 33.705 12.091 1.00 0.00 H new ATOM 0 HB THR A 14 40.337 33.814 10.464 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.971 36.100 11.473 1.00 0.00 H new ATOM 0 HG21 THR A 14 38.908 35.183 8.966 1.00 0.00 H new ATOM 0 HG22 THR A 14 38.192 33.576 9.234 1.00 0.00 H new ATOM 0 HG23 THR A 14 37.544 34.994 10.093 1.00 0.00 H new ATOM 237 N LEU A 15 37.526 31.572 10.864 1.00 0.00 N ATOM 238 CA LEU A 15 37.278 30.237 10.317 1.00 0.00 C ATOM 239 C LEU A 15 36.774 30.345 8.876 1.00 0.00 C ATOM 240 O LEU A 15 36.046 31.275 8.532 1.00 0.00 O ATOM 241 CB LEU A 15 36.213 29.530 11.200 1.00 0.00 C ATOM 242 CG LEU A 15 36.822 28.372 12.005 1.00 0.00 C ATOM 243 CD1 LEU A 15 37.889 28.904 12.972 1.00 0.00 C ATOM 244 CD2 LEU A 15 35.707 27.686 12.800 1.00 0.00 C ATOM 0 H LEU A 15 36.714 32.188 10.839 1.00 0.00 H new ATOM 0 HA LEU A 15 38.203 29.660 10.317 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.768 30.254 11.883 1.00 0.00 H new ATOM 0 HB3 LEU A 15 35.409 29.151 10.568 1.00 0.00 H new ATOM 0 HG LEU A 15 37.290 27.661 11.324 1.00 0.00 H new ATOM 0 HD11 LEU A 15 38.314 28.074 13.537 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.678 29.399 12.406 1.00 0.00 H new ATOM 0 HD13 LEU A 15 37.434 29.616 13.660 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.126 26.861 13.377 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.247 28.406 13.477 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.953 27.302 12.113 1.00 0.00 H new ATOM 256 N GLU A 16 37.140 29.364 8.052 1.00 0.00 N ATOM 257 CA GLU A 16 36.691 29.326 6.657 1.00 0.00 C ATOM 258 C GLU A 16 35.623 28.249 6.521 1.00 0.00 C ATOM 259 O GLU A 16 35.864 27.084 6.836 1.00 0.00 O ATOM 260 CB GLU A 16 37.862 29.025 5.713 1.00 0.00 C ATOM 261 CG GLU A 16 38.772 27.965 6.333 1.00 0.00 C ATOM 262 CD GLU A 16 39.899 27.618 5.366 1.00 0.00 C ATOM 263 OE1 GLU A 16 40.877 28.345 5.341 1.00 0.00 O ATOM 264 OE2 GLU A 16 39.765 26.629 4.661 1.00 0.00 O ATOM 0 H GLU A 16 37.743 28.587 8.323 1.00 0.00 H new ATOM 0 HA GLU A 16 36.283 30.299 6.383 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.485 28.676 4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.429 29.936 5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 16 39.187 28.333 7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.195 27.071 6.569 1.00 0.00 H new ATOM 271 N VAL A 17 34.437 28.642 6.065 1.00 0.00 N ATOM 272 CA VAL A 17 33.338 27.687 5.917 1.00 0.00 C ATOM 273 C VAL A 17 32.462 28.016 4.714 1.00 0.00 C ATOM 274 O VAL A 17 32.515 29.117 4.167 1.00 0.00 O ATOM 275 CB VAL A 17 32.490 27.657 7.207 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.395 27.851 8.427 1.00 0.00 C ATOM 277 CG2 VAL A 17 31.447 28.781 7.188 1.00 0.00 C ATOM 0 H VAL A 17 34.212 29.599 5.795 1.00 0.00 H new ATOM 0 HA VAL A 17 33.771 26.701 5.746 1.00 0.00 H new ATOM 0 HB VAL A 17 31.985 26.693 7.263 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.792 27.829 9.335 1.00 0.00 H new ATOM 0 HG12 VAL A 17 34.134 27.050 8.463 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.904 28.812 8.353 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.858 28.746 8.104 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.952 29.745 7.118 1.00 0.00 H new ATOM 0 HG23 VAL A 17 30.789 28.653 6.328 1.00 0.00 H new ATOM 287 N GLU A 18 31.633 27.047 4.330 1.00 0.00 N ATOM 288 CA GLU A 18 30.713 27.216 3.214 1.00 0.00 C ATOM 289 C GLU A 18 29.323 27.528 3.776 1.00 0.00 C ATOM 290 O GLU A 18 28.986 27.077 4.871 1.00 0.00 O ATOM 291 CB GLU A 18 30.655 25.923 2.389 1.00 0.00 C ATOM 292 CG GLU A 18 32.074 25.399 2.161 1.00 0.00 C ATOM 293 CD GLU A 18 32.908 26.452 1.439 1.00 0.00 C ATOM 294 OE1 GLU A 18 32.451 26.948 0.422 1.00 0.00 O ATOM 295 OE2 GLU A 18 33.992 26.746 1.913 1.00 0.00 O ATOM 0 H GLU A 18 31.582 26.133 4.780 1.00 0.00 H new ATOM 0 HA GLU A 18 31.051 28.029 2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 18 30.058 25.174 2.909 1.00 0.00 H new ATOM 0 HB3 GLU A 18 30.167 26.111 1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.536 25.149 3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.042 24.482 1.573 1.00 0.00 H new ATOM 302 N PRO A 19 28.517 28.278 3.070 1.00 0.00 N ATOM 303 CA PRO A 19 27.149 28.632 3.550 1.00 0.00 C ATOM 304 C PRO A 19 26.270 27.392 3.689 1.00 0.00 C ATOM 305 O PRO A 19 25.195 27.446 4.288 1.00 0.00 O ATOM 306 CB PRO A 19 26.615 29.586 2.466 1.00 0.00 C ATOM 307 CG PRO A 19 27.419 29.268 1.246 1.00 0.00 C ATOM 308 CD PRO A 19 28.800 28.870 1.754 1.00 0.00 C ATOM 0 HA PRO A 19 27.155 29.088 4.540 1.00 0.00 H new ATOM 0 HB2 PRO A 19 25.551 29.429 2.290 1.00 0.00 H new ATOM 0 HB3 PRO A 19 26.739 30.628 2.761 1.00 0.00 H new ATOM 0 HG2 PRO A 19 26.963 28.458 0.677 1.00 0.00 H new ATOM 0 HG3 PRO A 19 27.480 30.130 0.581 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.284 28.156 1.087 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.463 29.731 1.834 1.00 0.00 H new ATOM 316 N SER A 20 26.726 26.277 3.114 1.00 0.00 N ATOM 317 CA SER A 20 25.971 25.025 3.156 1.00 0.00 C ATOM 318 C SER A 20 26.606 24.024 4.121 1.00 0.00 C ATOM 319 O SER A 20 26.184 22.869 4.185 1.00 0.00 O ATOM 320 CB SER A 20 25.925 24.418 1.754 1.00 0.00 C ATOM 321 OG SER A 20 25.217 25.296 0.887 1.00 0.00 O ATOM 0 H SER A 20 27.613 26.217 2.615 1.00 0.00 H new ATOM 0 HA SER A 20 24.963 25.244 3.508 1.00 0.00 H new ATOM 0 HB2 SER A 20 26.936 24.257 1.381 1.00 0.00 H new ATOM 0 HB3 SER A 20 25.437 23.444 1.782 1.00 0.00 H new ATOM 0 HG SER A 20 25.186 24.912 -0.014 1.00 0.00 H new ATOM 327 N ASP A 21 27.610 24.463 4.875 1.00 0.00 N ATOM 328 CA ASP A 21 28.265 23.587 5.828 1.00 0.00 C ATOM 329 C ASP A 21 27.275 23.166 6.909 1.00 0.00 C ATOM 330 O ASP A 21 26.383 23.929 7.276 1.00 0.00 O ATOM 331 CB ASP A 21 29.461 24.318 6.454 1.00 0.00 C ATOM 332 CG ASP A 21 30.675 24.261 5.525 1.00 0.00 C ATOM 333 OD1 ASP A 21 30.606 23.568 4.525 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.662 24.904 5.837 1.00 0.00 O ATOM 0 H ASP A 21 27.982 25.412 4.842 1.00 0.00 H new ATOM 0 HA ASP A 21 28.623 22.693 5.317 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.196 25.357 6.651 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.709 23.864 7.414 1.00 0.00 H new ATOM 339 N THR A 22 27.439 21.946 7.420 1.00 0.00 N ATOM 340 CA THR A 22 26.555 21.436 8.462 1.00 0.00 C ATOM 341 C THR A 22 27.095 21.805 9.831 1.00 0.00 C ATOM 342 O THR A 22 28.306 21.899 10.023 1.00 0.00 O ATOM 343 CB THR A 22 26.437 19.912 8.359 1.00 0.00 C ATOM 344 OG1 THR A 22 27.737 19.340 8.339 1.00 0.00 O ATOM 345 CG2 THR A 22 25.691 19.537 7.079 1.00 0.00 C ATOM 0 H THR A 22 28.171 21.298 7.130 1.00 0.00 H new ATOM 0 HA THR A 22 25.570 21.883 8.328 1.00 0.00 H new ATOM 0 HB THR A 22 25.885 19.532 9.218 1.00 0.00 H new ATOM 0 HG1 THR A 22 27.664 18.365 8.275 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.609 18.452 7.010 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.693 19.975 7.098 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.238 19.915 6.215 1.00 0.00 H new ATOM 353 N ILE A 23 26.200 22.015 10.779 1.00 0.00 N ATOM 354 CA ILE A 23 26.625 22.376 12.124 1.00 0.00 C ATOM 355 C ILE A 23 27.688 21.393 12.605 1.00 0.00 C ATOM 356 O ILE A 23 28.500 21.713 13.473 1.00 0.00 O ATOM 357 CB ILE A 23 25.417 22.360 13.079 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.587 23.645 12.910 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.900 22.261 14.538 1.00 0.00 C ATOM 360 CD1 ILE A 23 23.779 23.581 11.613 1.00 0.00 C ATOM 0 H ILE A 23 25.191 21.944 10.649 1.00 0.00 H new ATOM 0 HA ILE A 23 27.047 23.381 12.111 1.00 0.00 H new ATOM 0 HB ILE A 23 24.798 21.495 12.838 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.916 23.768 13.760 1.00 0.00 H new ATOM 0 HG13 ILE A 23 25.246 24.513 12.895 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.039 22.250 15.206 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.473 21.343 14.670 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.530 23.119 14.772 1.00 0.00 H new ATOM 0 HD11 ILE A 23 23.195 24.495 11.503 1.00 0.00 H new ATOM 0 HD12 ILE A 23 24.458 23.480 10.766 1.00 0.00 H new ATOM 0 HD13 ILE A 23 23.108 22.723 11.645 1.00 0.00 H new ATOM 372 N GLU A 24 27.683 20.204 12.022 1.00 0.00 N ATOM 373 CA GLU A 24 28.654 19.186 12.388 1.00 0.00 C ATOM 374 C GLU A 24 30.008 19.504 11.762 1.00 0.00 C ATOM 375 O GLU A 24 31.018 19.612 12.458 1.00 0.00 O ATOM 376 CB GLU A 24 28.165 17.814 11.919 1.00 0.00 C ATOM 377 CG GLU A 24 29.132 16.733 12.402 1.00 0.00 C ATOM 378 CD GLU A 24 28.583 15.352 12.063 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.546 15.287 11.424 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.208 14.377 12.448 1.00 0.00 O ATOM 0 H GLU A 24 27.022 19.922 11.298 1.00 0.00 H new ATOM 0 HA GLU A 24 28.766 19.172 13.472 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.165 17.621 12.307 1.00 0.00 H new ATOM 0 HB3 GLU A 24 28.095 17.794 10.831 1.00 0.00 H new ATOM 0 HG2 GLU A 24 30.107 16.871 11.934 1.00 0.00 H new ATOM 0 HG3 GLU A 24 29.280 16.820 13.478 1.00 0.00 H new ATOM 387 N ASN A 25 30.016 19.658 10.446 1.00 0.00 N ATOM 388 CA ASN A 25 31.247 19.970 9.728 1.00 0.00 C ATOM 389 C ASN A 25 31.921 21.203 10.323 1.00 0.00 C ATOM 390 O ASN A 25 33.137 21.229 10.510 1.00 0.00 O ATOM 391 CB ASN A 25 30.929 20.222 8.253 1.00 0.00 C ATOM 392 CG ASN A 25 32.210 20.503 7.475 1.00 0.00 C ATOM 393 OD1 ASN A 25 33.276 20.668 8.067 1.00 0.00 O ATOM 394 ND2 ASN A 25 32.164 20.572 6.172 1.00 0.00 N ATOM 0 H ASN A 25 29.189 19.573 9.854 1.00 0.00 H new ATOM 0 HA ASN A 25 31.927 19.123 9.820 1.00 0.00 H new ATOM 0 HB2 ASN A 25 30.422 19.355 7.830 1.00 0.00 H new ATOM 0 HB3 ASN A 25 30.247 21.067 8.160 1.00 0.00 H new ATOM 0 HD21 ASN A 25 33.014 20.763 5.641 1.00 0.00 H new ATOM 0 HD22 ASN A 25 31.278 20.435 5.685 1.00 0.00 H new ATOM 401 N VAL A 26 31.125 22.224 10.622 1.00 0.00 N ATOM 402 CA VAL A 26 31.670 23.451 11.193 1.00 0.00 C ATOM 403 C VAL A 26 32.274 23.176 12.568 1.00 0.00 C ATOM 404 O VAL A 26 33.348 23.679 12.896 1.00 0.00 O ATOM 405 CB VAL A 26 30.581 24.523 11.300 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.196 25.819 11.822 1.00 0.00 C ATOM 407 CG2 VAL A 26 29.979 24.777 9.917 1.00 0.00 C ATOM 0 H VAL A 26 30.115 22.228 10.481 1.00 0.00 H new ATOM 0 HA VAL A 26 32.456 23.818 10.532 1.00 0.00 H new ATOM 0 HB VAL A 26 29.803 24.182 11.983 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.423 26.583 11.899 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.633 25.644 12.805 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.972 26.156 11.135 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.204 25.540 9.992 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.760 25.119 9.237 1.00 0.00 H new ATOM 0 HG23 VAL A 26 29.544 23.854 9.535 1.00 0.00 H new ATOM 417 N LYS A 27 31.587 22.368 13.370 1.00 0.00 N ATOM 418 CA LYS A 27 32.093 22.038 14.696 1.00 0.00 C ATOM 419 C LYS A 27 33.433 21.340 14.556 1.00 0.00 C ATOM 420 O LYS A 27 34.353 21.552 15.348 1.00 0.00 O ATOM 421 CB LYS A 27 31.095 21.137 15.437 1.00 0.00 C ATOM 422 CG LYS A 27 29.976 21.991 16.041 1.00 0.00 C ATOM 423 CD LYS A 27 28.820 21.092 16.484 1.00 0.00 C ATOM 424 CE LYS A 27 27.892 21.871 17.420 1.00 0.00 C ATOM 425 NZ LYS A 27 27.657 23.234 16.867 1.00 0.00 N ATOM 0 H LYS A 27 30.694 21.937 13.130 1.00 0.00 H new ATOM 0 HA LYS A 27 32.220 22.953 15.275 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.674 20.403 14.750 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.606 20.582 16.223 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.356 22.556 16.892 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.624 22.717 15.308 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.265 20.742 15.614 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.207 20.209 16.992 1.00 0.00 H new ATOM 0 HE2 LYS A 27 26.944 21.344 17.531 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.336 21.942 18.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 28.108 23.941 17.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 28.064 23.296 15.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 26.635 23.418 16.820 1.00 0.00 H new ATOM 439 N ALA A 28 33.530 20.510 13.531 1.00 0.00 N ATOM 440 CA ALA A 28 34.751 19.778 13.258 1.00 0.00 C ATOM 441 C ALA A 28 35.904 20.752 13.014 1.00 0.00 C ATOM 442 O ALA A 28 37.031 20.513 13.448 1.00 0.00 O ATOM 443 CB ALA A 28 34.528 18.895 12.028 1.00 0.00 C ATOM 0 H ALA A 28 32.773 20.327 12.873 1.00 0.00 H new ATOM 0 HA ALA A 28 35.009 19.154 14.114 1.00 0.00 H new ATOM 0 HB1 ALA A 28 35.439 18.338 11.810 1.00 0.00 H new ATOM 0 HB2 ALA A 28 33.714 18.197 12.224 1.00 0.00 H new ATOM 0 HB3 ALA A 28 34.272 19.520 11.173 1.00 0.00 H new ATOM 449 N LYS A 29 35.601 21.858 12.335 1.00 0.00 N ATOM 450 CA LYS A 29 36.616 22.872 12.057 1.00 0.00 C ATOM 451 C LYS A 29 37.098 23.481 13.370 1.00 0.00 C ATOM 452 O LYS A 29 38.292 23.713 13.565 1.00 0.00 O ATOM 453 CB LYS A 29 36.043 23.985 11.167 1.00 0.00 C ATOM 454 CG LYS A 29 35.645 23.421 9.801 1.00 0.00 C ATOM 455 CD LYS A 29 35.081 24.547 8.927 1.00 0.00 C ATOM 456 CE LYS A 29 34.664 23.980 7.570 1.00 0.00 C ATOM 457 NZ LYS A 29 33.469 23.107 7.743 1.00 0.00 N ATOM 0 H LYS A 29 34.673 22.073 11.971 1.00 0.00 H new ATOM 0 HA LYS A 29 37.447 22.397 11.536 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.175 24.435 11.649 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.783 24.776 11.040 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.510 22.969 9.316 1.00 0.00 H new ATOM 0 HG3 LYS A 29 34.901 22.634 9.924 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.225 25.009 9.419 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.830 25.327 8.792 1.00 0.00 H new ATOM 0 HE2 LYS A 29 34.438 24.792 6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 29 35.484 23.410 7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 32.833 23.223 6.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 33.771 22.114 7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 32.967 23.374 8.614 1.00 0.00 H new ATOM 471 N ILE A 30 36.151 23.718 14.272 1.00 0.00 N ATOM 472 CA ILE A 30 36.467 24.285 15.566 1.00 0.00 C ATOM 473 C ILE A 30 37.325 23.314 16.373 1.00 0.00 C ATOM 474 O ILE A 30 38.334 23.704 16.955 1.00 0.00 O ATOM 475 CB ILE A 30 35.165 24.598 16.312 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.465 25.776 15.623 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.473 24.967 17.765 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.067 25.974 16.216 1.00 0.00 C ATOM 0 H ILE A 30 35.160 23.524 14.125 1.00 0.00 H new ATOM 0 HA ILE A 30 37.033 25.207 15.430 1.00 0.00 H new ATOM 0 HB ILE A 30 34.518 23.721 16.297 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.054 26.684 15.749 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.392 25.590 14.552 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.543 25.188 18.289 1.00 0.00 H new ATOM 0 HG22 ILE A 30 35.975 24.132 18.254 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.120 25.844 17.788 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.577 26.813 15.721 1.00 0.00 H new ATOM 0 HD12 ILE A 30 32.477 25.070 16.067 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.150 26.181 17.283 1.00 0.00 H new ATOM 490 N GLN A 31 36.913 22.052 16.411 1.00 0.00 N ATOM 491 CA GLN A 31 37.656 21.046 17.160 1.00 0.00 C ATOM 492 C GLN A 31 39.070 20.905 16.610 1.00 0.00 C ATOM 493 O GLN A 31 40.038 20.828 17.364 1.00 0.00 O ATOM 494 CB GLN A 31 36.944 19.693 17.079 1.00 0.00 C ATOM 495 CG GLN A 31 37.630 18.688 18.019 1.00 0.00 C ATOM 496 CD GLN A 31 38.911 18.159 17.375 1.00 0.00 C ATOM 497 OE1 GLN A 31 39.948 18.077 18.032 1.00 0.00 O ATOM 498 NE2 GLN A 31 38.899 17.802 16.120 1.00 0.00 N ATOM 0 H GLN A 31 36.079 21.704 15.938 1.00 0.00 H new ATOM 0 HA GLN A 31 37.708 21.367 18.200 1.00 0.00 H new ATOM 0 HB2 GLN A 31 35.896 19.806 17.355 1.00 0.00 H new ATOM 0 HB3 GLN A 31 36.966 19.321 16.055 1.00 0.00 H new ATOM 0 HG2 GLN A 31 37.863 19.167 18.970 1.00 0.00 H new ATOM 0 HG3 GLN A 31 36.954 17.861 18.236 1.00 0.00 H new ATOM 0 HE21 GLN A 31 38.038 17.871 15.578 1.00 0.00 H new ATOM 0 HE22 GLN A 31 39.751 17.454 15.681 1.00 0.00 H new ATOM 507 N ASP A 32 39.176 20.846 15.291 1.00 0.00 N ATOM 508 CA ASP A 32 40.473 20.687 14.648 1.00 0.00 C ATOM 509 C ASP A 32 41.451 21.782 15.072 1.00 0.00 C ATOM 510 O ASP A 32 42.636 21.514 15.267 1.00 0.00 O ATOM 511 CB ASP A 32 40.300 20.721 13.126 1.00 0.00 C ATOM 512 CG ASP A 32 39.622 19.442 12.646 1.00 0.00 C ATOM 513 OD1 ASP A 32 39.650 18.467 13.378 1.00 0.00 O ATOM 514 OD2 ASP A 32 39.084 19.455 11.551 1.00 0.00 O ATOM 0 H ASP A 32 38.386 20.905 14.648 1.00 0.00 H new ATOM 0 HA ASP A 32 40.885 19.727 14.959 1.00 0.00 H new ATOM 0 HB2 ASP A 32 39.704 21.587 12.839 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.272 20.829 12.644 1.00 0.00 H new ATOM 519 N LYS A 33 40.968 23.020 15.186 1.00 0.00 N ATOM 520 CA LYS A 33 41.844 24.139 15.555 1.00 0.00 C ATOM 521 C LYS A 33 41.962 24.337 17.073 1.00 0.00 C ATOM 522 O LYS A 33 43.023 24.718 17.564 1.00 0.00 O ATOM 523 CB LYS A 33 41.327 25.431 14.917 1.00 0.00 C ATOM 524 CG LYS A 33 41.252 25.256 13.397 1.00 0.00 C ATOM 525 CD LYS A 33 40.862 26.587 12.748 1.00 0.00 C ATOM 526 CE LYS A 33 40.883 26.441 11.224 1.00 0.00 C ATOM 527 NZ LYS A 33 40.504 27.738 10.595 1.00 0.00 N ATOM 0 H LYS A 33 39.992 23.274 15.032 1.00 0.00 H new ATOM 0 HA LYS A 33 42.839 23.894 15.183 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.342 25.677 15.314 1.00 0.00 H new ATOM 0 HB3 LYS A 33 41.987 26.262 15.166 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.214 24.919 13.011 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.521 24.488 13.144 1.00 0.00 H new ATOM 0 HD2 LYS A 33 39.869 26.888 13.081 1.00 0.00 H new ATOM 0 HD3 LYS A 33 41.553 27.371 13.058 1.00 0.00 H new ATOM 0 HE2 LYS A 33 41.876 26.139 10.891 1.00 0.00 H new ATOM 0 HE3 LYS A 33 40.191 25.658 10.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 40.518 27.639 9.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 39.548 28.007 10.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 41.181 28.474 10.882 1.00 0.00 H new ATOM 541 N GLU A 34 40.872 24.119 17.815 1.00 0.00 N ATOM 542 CA GLU A 34 40.894 24.326 19.274 1.00 0.00 C ATOM 543 C GLU A 34 41.053 23.015 20.048 1.00 0.00 C ATOM 544 O GLU A 34 41.320 23.034 21.249 1.00 0.00 O ATOM 545 CB GLU A 34 39.599 25.016 19.716 1.00 0.00 C ATOM 546 CG GLU A 34 39.371 26.270 18.866 1.00 0.00 C ATOM 547 CD GLU A 34 38.151 27.032 19.376 1.00 0.00 C ATOM 548 OE1 GLU A 34 37.797 26.843 20.528 1.00 0.00 O ATOM 549 OE2 GLU A 34 37.591 27.795 18.605 1.00 0.00 O ATOM 0 H GLU A 34 39.976 23.805 17.442 1.00 0.00 H new ATOM 0 HA GLU A 34 41.758 24.951 19.498 1.00 0.00 H new ATOM 0 HB2 GLU A 34 38.756 24.333 19.609 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.660 25.285 20.771 1.00 0.00 H new ATOM 0 HG2 GLU A 34 40.252 26.910 18.904 1.00 0.00 H new ATOM 0 HG3 GLU A 34 39.225 25.990 17.823 1.00 0.00 H new ATOM 556 N GLY A 35 40.926 21.884 19.363 1.00 0.00 N ATOM 557 CA GLY A 35 41.094 20.584 20.012 1.00 0.00 C ATOM 558 C GLY A 35 40.051 20.339 21.106 1.00 0.00 C ATOM 559 O GLY A 35 40.202 19.421 21.914 1.00 0.00 O ATOM 0 H GLY A 35 40.709 21.838 18.367 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.023 19.795 19.263 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.092 20.524 20.445 1.00 0.00 H new ATOM 563 N ILE A 36 38.993 21.148 21.132 1.00 0.00 N ATOM 564 CA ILE A 36 37.942 20.990 22.134 1.00 0.00 C ATOM 565 C ILE A 36 36.827 20.075 21.597 1.00 0.00 C ATOM 566 O ILE A 36 36.394 20.247 20.456 1.00 0.00 O ATOM 567 CB ILE A 36 37.360 22.362 22.473 1.00 0.00 C ATOM 568 CG1 ILE A 36 38.493 23.302 22.889 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.365 22.229 23.624 1.00 0.00 C ATOM 570 CD1 ILE A 36 37.921 24.670 23.273 1.00 0.00 C ATOM 0 H ILE A 36 38.842 21.914 20.476 1.00 0.00 H new ATOM 0 HA ILE A 36 38.367 20.537 23.030 1.00 0.00 H new ATOM 0 HB ILE A 36 36.849 22.765 21.599 1.00 0.00 H new ATOM 0 HG12 ILE A 36 39.039 22.877 23.731 1.00 0.00 H new ATOM 0 HG13 ILE A 36 39.205 23.412 22.071 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.952 23.209 23.863 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.558 21.557 23.332 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.874 21.826 24.500 1.00 0.00 H new ATOM 0 HD11 ILE A 36 38.733 25.334 23.568 1.00 0.00 H new ATOM 0 HD12 ILE A 36 37.395 25.097 22.419 1.00 0.00 H new ATOM 0 HD13 ILE A 36 37.227 24.554 24.105 1.00 0.00 H new ATOM 582 N PRO A 37 36.345 19.115 22.374 1.00 0.00 N ATOM 583 CA PRO A 37 35.266 18.198 21.903 1.00 0.00 C ATOM 584 C PRO A 37 33.919 18.933 21.743 1.00 0.00 C ATOM 585 O PRO A 37 33.398 19.483 22.712 1.00 0.00 O ATOM 586 CB PRO A 37 35.187 17.130 23.006 1.00 0.00 C ATOM 587 CG PRO A 37 35.695 17.809 24.230 1.00 0.00 C ATOM 588 CD PRO A 37 36.762 18.792 23.751 1.00 0.00 C ATOM 0 HA PRO A 37 35.479 17.779 20.920 1.00 0.00 H new ATOM 0 HB2 PRO A 37 34.164 16.779 23.144 1.00 0.00 H new ATOM 0 HB3 PRO A 37 35.792 16.259 22.757 1.00 0.00 H new ATOM 0 HG2 PRO A 37 34.891 18.329 24.751 1.00 0.00 H new ATOM 0 HG3 PRO A 37 36.115 17.088 24.931 1.00 0.00 H new ATOM 0 HD2 PRO A 37 36.797 19.683 24.378 1.00 0.00 H new ATOM 0 HD3 PRO A 37 37.757 18.347 23.774 1.00 0.00 H new ATOM 596 N PRO A 38 33.336 18.930 20.560 1.00 0.00 N ATOM 597 CA PRO A 38 32.024 19.598 20.305 1.00 0.00 C ATOM 598 C PRO A 38 30.981 19.247 21.368 1.00 0.00 C ATOM 599 O PRO A 38 29.957 19.919 21.493 1.00 0.00 O ATOM 600 CB PRO A 38 31.613 19.058 18.934 1.00 0.00 C ATOM 601 CG PRO A 38 32.904 18.802 18.243 1.00 0.00 C ATOM 602 CD PRO A 38 33.872 18.334 19.324 1.00 0.00 C ATOM 0 HA PRO A 38 32.100 20.685 20.338 1.00 0.00 H new ATOM 0 HB2 PRO A 38 31.022 18.147 19.025 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.005 19.779 18.388 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.788 18.044 17.468 1.00 0.00 H new ATOM 0 HG3 PRO A 38 33.271 19.705 17.754 1.00 0.00 H new ATOM 0 HD2 PRO A 38 33.906 17.246 19.387 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.888 18.673 19.125 1.00 0.00 H new ATOM 610 N ASP A 39 31.249 18.194 22.133 1.00 0.00 N ATOM 611 CA ASP A 39 30.323 17.769 23.175 1.00 0.00 C ATOM 612 C ASP A 39 30.335 18.743 24.347 1.00 0.00 C ATOM 613 O ASP A 39 29.389 18.796 25.131 1.00 0.00 O ATOM 614 CB ASP A 39 30.700 16.372 23.672 1.00 0.00 C ATOM 615 CG ASP A 39 29.706 15.913 24.733 1.00 0.00 C ATOM 616 OD1 ASP A 39 29.856 16.321 25.874 1.00 0.00 O ATOM 617 OD2 ASP A 39 28.811 15.160 24.391 1.00 0.00 O ATOM 0 H ASP A 39 32.091 17.624 22.052 1.00 0.00 H new ATOM 0 HA ASP A 39 29.320 17.749 22.748 1.00 0.00 H new ATOM 0 HB2 ASP A 39 30.706 15.669 22.839 1.00 0.00 H new ATOM 0 HB3 ASP A 39 31.708 16.384 24.086 1.00 0.00 H new ATOM 622 N GLN A 40 31.413 19.514 24.467 1.00 0.00 N ATOM 623 CA GLN A 40 31.546 20.487 25.557 1.00 0.00 C ATOM 624 C GLN A 40 31.303 21.907 25.058 1.00 0.00 C ATOM 625 O GLN A 40 31.302 22.854 25.845 1.00 0.00 O ATOM 626 CB GLN A 40 32.956 20.410 26.149 1.00 0.00 C ATOM 627 CG GLN A 40 33.142 19.073 26.866 1.00 0.00 C ATOM 628 CD GLN A 40 34.579 18.943 27.360 1.00 0.00 C ATOM 629 OE1 GLN A 40 35.162 19.916 27.839 1.00 0.00 O ATOM 630 NE2 GLN A 40 35.189 17.793 27.270 1.00 0.00 N ATOM 0 H GLN A 40 32.207 19.487 23.827 1.00 0.00 H new ATOM 0 HA GLN A 40 30.802 20.245 26.316 1.00 0.00 H new ATOM 0 HB2 GLN A 40 33.699 20.516 25.358 1.00 0.00 H new ATOM 0 HB3 GLN A 40 33.113 21.233 26.847 1.00 0.00 H new ATOM 0 HG2 GLN A 40 32.452 19.002 27.707 1.00 0.00 H new ATOM 0 HG3 GLN A 40 32.905 18.252 26.189 1.00 0.00 H new ATOM 0 HE21 GLN A 40 34.704 16.988 26.873 1.00 0.00 H new ATOM 0 HE22 GLN A 40 36.151 17.699 27.597 1.00 0.00 H new ATOM 639 N GLN A 41 31.118 22.059 23.745 1.00 0.00 N ATOM 640 CA GLN A 41 30.904 23.382 23.152 1.00 0.00 C ATOM 641 C GLN A 41 29.517 23.514 22.532 1.00 0.00 C ATOM 642 O GLN A 41 28.980 22.569 21.955 1.00 0.00 O ATOM 643 CB GLN A 41 31.954 23.630 22.068 1.00 0.00 C ATOM 644 CG GLN A 41 33.352 23.561 22.680 1.00 0.00 C ATOM 645 CD GLN A 41 34.398 23.573 21.572 1.00 0.00 C ATOM 646 OE1 GLN A 41 34.595 22.565 20.894 1.00 0.00 O ATOM 647 NE2 GLN A 41 35.082 24.660 21.344 1.00 0.00 N ATOM 0 H GLN A 41 31.112 21.289 23.076 1.00 0.00 H new ATOM 0 HA GLN A 41 30.991 24.118 23.952 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.856 22.887 21.276 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.795 24.606 21.610 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.508 24.406 23.350 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.453 22.656 23.279 1.00 0.00 H new ATOM 0 HE21 GLN A 41 34.917 25.494 21.907 1.00 0.00 H new ATOM 0 HE22 GLN A 41 35.782 24.676 20.602 1.00 0.00 H new ATOM 656 N ARG A 42 28.965 24.721 22.642 1.00 0.00 N ATOM 657 CA ARG A 42 27.654 25.042 22.081 1.00 0.00 C ATOM 658 C ARG A 42 27.773 26.341 21.290 1.00 0.00 C ATOM 659 O ARG A 42 28.445 27.275 21.730 1.00 0.00 O ATOM 660 CB ARG A 42 26.623 25.202 23.208 1.00 0.00 C ATOM 661 CG ARG A 42 26.361 23.844 23.892 1.00 0.00 C ATOM 662 CD ARG A 42 25.267 23.074 23.140 1.00 0.00 C ATOM 663 NE ARG A 42 25.051 21.765 23.751 1.00 0.00 N ATOM 664 CZ ARG A 42 25.909 20.766 23.560 1.00 0.00 C ATOM 665 NH1 ARG A 42 25.687 19.601 24.107 1.00 0.00 N ATOM 666 NH2 ARG A 42 26.971 20.948 22.824 1.00 0.00 N ATOM 0 H ARG A 42 29.413 25.502 23.121 1.00 0.00 H new ATOM 0 HA ARG A 42 27.322 24.237 21.426 1.00 0.00 H new ATOM 0 HB2 ARG A 42 26.985 25.922 23.942 1.00 0.00 H new ATOM 0 HB3 ARG A 42 25.692 25.599 22.804 1.00 0.00 H new ATOM 0 HG2 ARG A 42 27.279 23.257 23.915 1.00 0.00 H new ATOM 0 HG3 ARG A 42 26.058 24.002 24.927 1.00 0.00 H new ATOM 0 HD2 ARG A 42 24.339 23.645 23.152 1.00 0.00 H new ATOM 0 HD3 ARG A 42 25.553 22.952 22.095 1.00 0.00 H new ATOM 0 HE ARG A 42 24.228 21.614 24.334 1.00 0.00 H new ATOM 0 HH11 ARG A 42 24.856 19.457 24.681 1.00 0.00 H new ATOM 0 HH12 ARG A 42 26.345 18.835 23.961 1.00 0.00 H new ATOM 0 HH21 ARG A 42 27.144 21.857 22.394 1.00 0.00 H new ATOM 0 HH22 ARG A 42 27.628 20.182 22.678 1.00 0.00 H new ATOM 680 N LEU A 43 27.134 26.404 20.119 1.00 0.00 N ATOM 681 CA LEU A 43 27.200 27.605 19.276 1.00 0.00 C ATOM 682 C LEU A 43 25.833 28.282 19.187 1.00 0.00 C ATOM 683 O LEU A 43 24.828 27.632 18.894 1.00 0.00 O ATOM 684 CB LEU A 43 27.672 27.218 17.870 1.00 0.00 C ATOM 685 CG LEU A 43 28.928 26.341 17.961 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.369 25.938 16.549 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.061 27.118 18.644 1.00 0.00 C ATOM 0 H LEU A 43 26.570 25.647 19.734 1.00 0.00 H new ATOM 0 HA LEU A 43 27.905 28.305 19.724 1.00 0.00 H new ATOM 0 HB2 LEU A 43 26.881 26.681 17.347 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.886 28.115 17.289 1.00 0.00 H new ATOM 0 HG LEU A 43 28.701 25.450 18.546 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.261 25.315 16.610 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.569 25.379 16.063 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.591 26.833 15.968 1.00 0.00 H new ATOM 0 HD21 LEU A 43 30.949 26.489 18.705 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.289 28.013 18.065 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.751 27.406 19.649 1.00 0.00 H new ATOM 699 N ILE A 44 25.801 29.596 19.447 1.00 0.00 N ATOM 700 CA ILE A 44 24.550 30.362 19.402 1.00 0.00 C ATOM 701 C ILE A 44 24.689 31.599 18.505 1.00 0.00 C ATOM 702 O ILE A 44 25.745 32.240 18.454 1.00 0.00 O ATOM 703 CB ILE A 44 24.154 30.788 20.818 1.00 0.00 C ATOM 704 CG1 ILE A 44 24.287 29.579 21.758 1.00 0.00 C ATOM 705 CG2 ILE A 44 22.704 31.290 20.814 1.00 0.00 C ATOM 706 CD1 ILE A 44 23.610 29.873 23.101 1.00 0.00 C ATOM 0 H ILE A 44 26.624 30.148 19.690 1.00 0.00 H new ATOM 0 HA ILE A 44 23.773 29.724 18.981 1.00 0.00 H new ATOM 0 HB ILE A 44 24.807 31.591 21.162 1.00 0.00 H new ATOM 0 HG12 ILE A 44 23.833 28.701 21.299 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.340 29.347 21.917 1.00 0.00 H new ATOM 0 HG21 ILE A 44 22.421 31.594 21.822 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.616 32.142 20.140 1.00 0.00 H new ATOM 0 HG23 ILE A 44 22.043 30.491 20.477 1.00 0.00 H new ATOM 0 HD11 ILE A 44 23.712 29.008 23.757 1.00 0.00 H new ATOM 0 HD12 ILE A 44 24.083 30.738 23.565 1.00 0.00 H new ATOM 0 HD13 ILE A 44 22.553 30.082 22.938 1.00 0.00 H new ATOM 718 N PHE A 45 23.593 31.918 17.814 1.00 0.00 N ATOM 719 CA PHE A 45 23.536 33.073 16.916 1.00 0.00 C ATOM 720 C PHE A 45 22.120 33.633 16.923 1.00 0.00 C ATOM 721 O PHE A 45 21.156 32.874 16.992 1.00 0.00 O ATOM 722 CB PHE A 45 23.903 32.648 15.490 1.00 0.00 C ATOM 723 CG PHE A 45 24.076 33.868 14.614 1.00 0.00 C ATOM 724 CD1 PHE A 45 25.303 34.541 14.584 1.00 0.00 C ATOM 725 CD2 PHE A 45 23.012 34.320 13.821 1.00 0.00 C ATOM 726 CE1 PHE A 45 25.467 35.666 13.765 1.00 0.00 C ATOM 727 CE2 PHE A 45 23.175 35.446 13.004 1.00 0.00 C ATOM 728 CZ PHE A 45 24.403 36.117 12.974 1.00 0.00 C ATOM 0 H PHE A 45 22.724 31.386 17.860 1.00 0.00 H new ATOM 0 HA PHE A 45 24.243 33.831 17.255 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.824 32.065 15.501 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.124 32.005 15.082 1.00 0.00 H new ATOM 0 HD1 PHE A 45 26.124 34.193 15.193 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.066 33.800 13.840 1.00 0.00 H new ATOM 0 HE1 PHE A 45 26.414 36.185 13.744 1.00 0.00 H new ATOM 0 HE2 PHE A 45 22.353 35.796 12.397 1.00 0.00 H new ATOM 0 HZ PHE A 45 24.530 36.983 12.341 1.00 0.00 H new ATOM 738 N ALA A 46 21.981 34.951 16.867 1.00 0.00 N ATOM 739 CA ALA A 46 20.651 35.545 16.886 1.00 0.00 C ATOM 740 C ALA A 46 19.857 34.964 18.053 1.00 0.00 C ATOM 741 O ALA A 46 18.659 34.700 17.949 1.00 0.00 O ATOM 742 CB ALA A 46 19.930 35.266 15.565 1.00 0.00 C ATOM 0 H ALA A 46 22.753 35.616 16.809 1.00 0.00 H new ATOM 0 HA ALA A 46 20.738 36.624 17.010 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.937 35.715 15.591 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.501 35.695 14.741 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.838 34.189 15.421 1.00 0.00 H new ATOM 748 N GLY A 47 20.557 34.784 19.170 1.00 0.00 N ATOM 749 CA GLY A 47 19.961 34.256 20.395 1.00 0.00 C ATOM 750 C GLY A 47 19.439 32.823 20.248 1.00 0.00 C ATOM 751 O GLY A 47 18.790 32.317 21.162 1.00 0.00 O ATOM 0 H GLY A 47 21.551 34.999 19.252 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.703 34.285 21.193 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.140 34.905 20.700 1.00 0.00 H new ATOM 755 N LYS A 48 19.716 32.163 19.116 1.00 0.00 N ATOM 756 CA LYS A 48 19.244 30.779 18.909 1.00 0.00 C ATOM 757 C LYS A 48 20.406 29.803 18.766 1.00 0.00 C ATOM 758 O LYS A 48 21.414 30.100 18.124 1.00 0.00 O ATOM 759 CB LYS A 48 18.379 30.690 17.654 1.00 0.00 C ATOM 760 CG LYS A 48 17.172 31.619 17.781 1.00 0.00 C ATOM 761 CD LYS A 48 16.395 31.597 16.464 1.00 0.00 C ATOM 762 CE LYS A 48 15.222 32.574 16.536 1.00 0.00 C ATOM 763 NZ LYS A 48 14.520 32.596 15.221 1.00 0.00 N ATOM 0 H LYS A 48 20.253 32.551 18.341 1.00 0.00 H new ATOM 0 HA LYS A 48 18.660 30.509 19.788 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.967 30.963 16.778 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.044 29.663 17.506 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.532 31.297 18.603 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.498 32.633 18.010 1.00 0.00 H new ATOM 0 HD2 LYS A 48 17.054 31.866 15.638 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.029 30.590 16.264 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.532 32.275 17.325 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.580 33.572 16.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.721 33.260 15.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.182 32.900 14.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.167 31.643 15.000 1.00 0.00 H new ATOM 777 N GLN A 49 20.239 28.620 19.355 1.00 0.00 N ATOM 778 CA GLN A 49 21.248 27.579 19.286 1.00 0.00 C ATOM 779 C GLN A 49 21.154 26.844 17.950 1.00 0.00 C ATOM 780 O GLN A 49 20.065 26.472 17.514 1.00 0.00 O ATOM 781 CB GLN A 49 21.040 26.585 20.436 1.00 0.00 C ATOM 782 CG GLN A 49 22.322 25.786 20.682 1.00 0.00 C ATOM 783 CD GLN A 49 22.628 24.908 19.476 1.00 0.00 C ATOM 784 OE1 GLN A 49 21.787 24.112 19.060 1.00 0.00 O ATOM 785 NE2 GLN A 49 23.787 25.009 18.885 1.00 0.00 N ATOM 0 H GLN A 49 19.407 28.363 19.887 1.00 0.00 H new ATOM 0 HA GLN A 49 22.235 28.034 19.372 1.00 0.00 H new ATOM 0 HB2 GLN A 49 20.757 27.120 21.342 1.00 0.00 H new ATOM 0 HB3 GLN A 49 20.221 25.907 20.197 1.00 0.00 H new ATOM 0 HG2 GLN A 49 23.154 26.466 20.868 1.00 0.00 H new ATOM 0 HG3 GLN A 49 22.210 25.168 21.573 1.00 0.00 H new ATOM 0 HE21 GLN A 49 24.481 25.670 19.233 1.00 0.00 H new ATOM 0 HE22 GLN A 49 23.999 24.427 18.075 1.00 0.00 H new ATOM 794 N LEU A 50 22.294 26.641 17.305 1.00 0.00 N ATOM 795 CA LEU A 50 22.313 25.954 16.013 1.00 0.00 C ATOM 796 C LEU A 50 22.087 24.450 16.190 1.00 0.00 C ATOM 797 O LEU A 50 22.785 23.791 16.958 1.00 0.00 O ATOM 798 CB LEU A 50 23.644 26.207 15.306 1.00 0.00 C ATOM 799 CG LEU A 50 24.031 27.682 15.457 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.280 27.974 14.621 1.00 0.00 C ATOM 801 CD2 LEU A 50 22.875 28.571 14.977 1.00 0.00 C ATOM 0 H LEU A 50 23.209 26.936 17.646 1.00 0.00 H new ATOM 0 HA LEU A 50 21.502 26.350 15.402 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.420 25.571 15.731 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.562 25.948 14.250 1.00 0.00 H new ATOM 0 HG LEU A 50 24.239 27.893 16.506 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.553 29.024 14.730 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.103 27.347 14.965 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.074 27.760 13.572 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.153 29.619 15.086 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.663 28.358 13.929 1.00 0.00 H new ATOM 0 HD23 LEU A 50 21.987 28.367 15.575 1.00 0.00 H new ATOM 813 N GLU A 51 21.086 23.926 15.480 1.00 0.00 N ATOM 814 CA GLU A 51 20.740 22.507 15.566 1.00 0.00 C ATOM 815 C GLU A 51 21.614 21.653 14.657 1.00 0.00 C ATOM 816 O GLU A 51 22.094 22.103 13.617 1.00 0.00 O ATOM 817 CB GLU A 51 19.270 22.305 15.179 1.00 0.00 C ATOM 818 CG GLU A 51 18.370 22.739 16.337 1.00 0.00 C ATOM 819 CD GLU A 51 16.903 22.565 15.955 1.00 0.00 C ATOM 820 OE1 GLU A 51 16.563 22.880 14.825 1.00 0.00 O ATOM 821 OE2 GLU A 51 16.140 22.121 16.797 1.00 0.00 O ATOM 0 H GLU A 51 20.501 24.463 14.840 1.00 0.00 H new ATOM 0 HA GLU A 51 20.908 22.192 16.596 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.036 22.885 14.286 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.088 21.258 14.936 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.595 22.147 17.224 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.567 23.781 16.590 1.00 0.00 H new ATOM 828 N ASP A 52 21.808 20.407 15.071 1.00 0.00 N ATOM 829 CA ASP A 52 22.609 19.468 14.312 1.00 0.00 C ATOM 830 C ASP A 52 21.831 18.941 13.107 1.00 0.00 C ATOM 831 O ASP A 52 20.602 18.867 13.136 1.00 0.00 O ATOM 832 CB ASP A 52 23.030 18.299 15.203 1.00 0.00 C ATOM 833 CG ASP A 52 23.832 18.815 16.394 1.00 0.00 C ATOM 834 OD1 ASP A 52 24.718 19.626 16.182 1.00 0.00 O ATOM 835 OD2 ASP A 52 23.547 18.390 17.501 1.00 0.00 O ATOM 0 H ASP A 52 21.417 20.027 15.933 1.00 0.00 H new ATOM 0 HA ASP A 52 23.497 19.989 13.953 1.00 0.00 H new ATOM 0 HB2 ASP A 52 22.149 17.761 15.553 1.00 0.00 H new ATOM 0 HB3 ASP A 52 23.629 17.591 14.630 1.00 0.00 H new ATOM 840 N GLY A 53 22.553 18.568 12.053 1.00 0.00 N ATOM 841 CA GLY A 53 21.923 18.035 10.847 1.00 0.00 C ATOM 842 C GLY A 53 21.447 19.145 9.908 1.00 0.00 C ATOM 843 O GLY A 53 21.063 18.877 8.770 1.00 0.00 O ATOM 0 H GLY A 53 23.570 18.624 12.009 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.631 17.395 10.321 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.075 17.410 11.127 1.00 0.00 H new ATOM 847 N ARG A 54 21.479 20.391 10.379 1.00 0.00 N ATOM 848 CA ARG A 54 21.051 21.523 9.545 1.00 0.00 C ATOM 849 C ARG A 54 22.257 22.217 8.909 1.00 0.00 C ATOM 850 O ARG A 54 23.390 22.057 9.359 1.00 0.00 O ATOM 851 CB ARG A 54 20.272 22.539 10.385 1.00 0.00 C ATOM 852 CG ARG A 54 19.092 21.845 11.073 1.00 0.00 C ATOM 853 CD ARG A 54 18.082 22.894 11.538 1.00 0.00 C ATOM 854 NE ARG A 54 17.394 23.476 10.390 1.00 0.00 N ATOM 855 CZ ARG A 54 16.512 24.458 10.545 1.00 0.00 C ATOM 856 NH1 ARG A 54 15.881 24.939 9.509 1.00 0.00 N ATOM 857 NH2 ARG A 54 16.284 24.945 11.733 1.00 0.00 N ATOM 0 H ARG A 54 21.790 20.644 11.317 1.00 0.00 H new ATOM 0 HA ARG A 54 20.408 21.132 8.756 1.00 0.00 H new ATOM 0 HB2 ARG A 54 20.928 22.987 11.131 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.911 23.349 9.751 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.616 21.147 10.385 1.00 0.00 H new ATOM 0 HG3 ARG A 54 19.445 21.263 11.924 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.357 22.438 12.212 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.592 23.676 12.100 1.00 0.00 H new ATOM 0 HE ARG A 54 17.593 23.123 9.454 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.065 24.561 8.579 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.204 25.693 9.629 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.782 24.572 12.541 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.607 25.699 11.854 1.00 0.00 H new ATOM 871 N THR A 55 22.000 22.992 7.854 1.00 0.00 N ATOM 872 CA THR A 55 23.062 23.726 7.159 1.00 0.00 C ATOM 873 C THR A 55 23.019 25.192 7.573 1.00 0.00 C ATOM 874 O THR A 55 22.003 25.661 8.082 1.00 0.00 O ATOM 875 CB THR A 55 22.873 23.617 5.644 1.00 0.00 C ATOM 876 OG1 THR A 55 21.512 23.864 5.323 1.00 0.00 O ATOM 877 CG2 THR A 55 23.264 22.213 5.173 1.00 0.00 C ATOM 0 H THR A 55 21.068 23.128 7.462 1.00 0.00 H new ATOM 0 HA THR A 55 24.027 23.296 7.428 1.00 0.00 H new ATOM 0 HB THR A 55 23.506 24.351 5.145 1.00 0.00 H new ATOM 0 HG1 THR A 55 21.111 24.433 6.013 1.00 0.00 H new ATOM 0 HG21 THR A 55 23.128 22.140 4.094 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.309 22.024 5.421 1.00 0.00 H new ATOM 0 HG23 THR A 55 22.634 21.474 5.669 1.00 0.00 H new ATOM 885 N LEU A 56 24.110 25.924 7.352 1.00 0.00 N ATOM 886 CA LEU A 56 24.132 27.337 7.724 1.00 0.00 C ATOM 887 C LEU A 56 22.971 28.069 7.048 1.00 0.00 C ATOM 888 O LEU A 56 22.354 28.946 7.653 1.00 0.00 O ATOM 889 CB LEU A 56 25.488 27.987 7.348 1.00 0.00 C ATOM 890 CG LEU A 56 26.440 28.001 8.562 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.831 26.565 8.937 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.700 28.806 8.208 1.00 0.00 C ATOM 0 H LEU A 56 24.969 25.574 6.928 1.00 0.00 H new ATOM 0 HA LEU A 56 24.016 27.417 8.805 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.946 27.436 6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 56 25.324 29.006 6.996 1.00 0.00 H new ATOM 0 HG LEU A 56 25.937 28.463 9.411 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.503 26.583 9.795 1.00 0.00 H new ATOM 0 HD12 LEU A 56 25.935 25.998 9.190 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.333 26.092 8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 56 28.376 28.819 9.063 1.00 0.00 H new ATOM 0 HD22 LEU A 56 28.200 28.344 7.357 1.00 0.00 H new ATOM 0 HD23 LEU A 56 27.419 29.828 7.952 1.00 0.00 H new ATOM 904 N SER A 57 22.678 27.719 5.791 1.00 0.00 N ATOM 905 CA SER A 57 21.588 28.372 5.068 1.00 0.00 C ATOM 906 C SER A 57 20.348 28.464 5.944 1.00 0.00 C ATOM 907 O SER A 57 19.606 29.444 5.883 1.00 0.00 O ATOM 908 CB SER A 57 21.243 27.598 3.796 1.00 0.00 C ATOM 909 OG SER A 57 20.033 28.112 3.248 1.00 0.00 O ATOM 0 H SER A 57 23.172 27.000 5.263 1.00 0.00 H new ATOM 0 HA SER A 57 21.920 29.375 4.800 1.00 0.00 H new ATOM 0 HB2 SER A 57 22.052 27.688 3.071 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.133 26.537 4.020 1.00 0.00 H new ATOM 0 HG SER A 57 19.809 27.619 2.431 1.00 0.00 H new ATOM 915 N ASP A 58 20.129 27.443 6.768 1.00 0.00 N ATOM 916 CA ASP A 58 18.979 27.436 7.657 1.00 0.00 C ATOM 917 C ASP A 58 18.995 28.694 8.511 1.00 0.00 C ATOM 918 O ASP A 58 17.984 29.382 8.656 1.00 0.00 O ATOM 919 CB ASP A 58 19.025 26.196 8.558 1.00 0.00 C ATOM 920 CG ASP A 58 18.938 24.927 7.717 1.00 0.00 C ATOM 921 OD1 ASP A 58 17.830 24.514 7.417 1.00 0.00 O ATOM 922 OD2 ASP A 58 19.980 24.385 7.385 1.00 0.00 O ATOM 0 H ASP A 58 20.727 26.620 6.836 1.00 0.00 H new ATOM 0 HA ASP A 58 18.064 27.410 7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.948 26.194 9.138 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.201 26.225 9.271 1.00 0.00 H new ATOM 927 N TYR A 59 20.169 28.991 9.061 1.00 0.00 N ATOM 928 CA TYR A 59 20.371 30.170 9.899 1.00 0.00 C ATOM 929 C TYR A 59 21.064 31.262 9.088 1.00 0.00 C ATOM 930 O TYR A 59 22.261 31.170 8.864 1.00 0.00 O ATOM 931 CB TYR A 59 21.266 29.794 11.082 1.00 0.00 C ATOM 932 CG TYR A 59 20.651 28.645 11.850 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.250 27.376 11.823 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.484 28.851 12.591 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.679 26.319 12.540 1.00 0.00 C ATOM 936 CE2 TYR A 59 18.913 27.794 13.307 1.00 0.00 C ATOM 937 CZ TYR A 59 19.510 26.527 13.281 1.00 0.00 C ATOM 938 OH TYR A 59 18.946 25.485 13.989 1.00 0.00 O ATOM 0 H TYR A 59 21.007 28.422 8.939 1.00 0.00 H new ATOM 0 HA TYR A 59 19.406 30.532 10.255 1.00 0.00 H new ATOM 0 HB2 TYR A 59 22.257 29.514 10.725 1.00 0.00 H new ATOM 0 HB3 TYR A 59 21.395 30.654 11.739 1.00 0.00 H new ATOM 0 HD1 TYR A 59 22.151 27.216 11.249 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.023 29.827 12.611 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.140 25.343 12.522 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.012 27.955 13.880 1.00 0.00 H new ATOM 0 HH TYR A 59 18.140 25.800 14.449 1.00 0.00 H new ATOM 948 N ASN A 60 20.292 32.243 8.597 1.00 0.00 N ATOM 949 CA ASN A 60 20.833 33.324 7.748 1.00 0.00 C ATOM 950 C ASN A 60 22.127 33.958 8.295 1.00 0.00 C ATOM 951 O ASN A 60 22.156 35.142 8.635 1.00 0.00 O ATOM 952 CB ASN A 60 19.776 34.420 7.557 1.00 0.00 C ATOM 953 CG ASN A 60 18.419 33.799 7.236 1.00 0.00 C ATOM 954 OD1 ASN A 60 17.704 33.367 8.140 1.00 0.00 O ATOM 955 ND2 ASN A 60 18.015 33.734 5.994 1.00 0.00 N ATOM 0 H ASN A 60 19.289 32.313 8.772 1.00 0.00 H new ATOM 0 HA ASN A 60 21.088 32.858 6.796 1.00 0.00 H new ATOM 0 HB2 ASN A 60 19.702 35.024 8.461 1.00 0.00 H new ATOM 0 HB3 ASN A 60 20.077 35.088 6.750 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.107 33.325 5.774 1.00 0.00 H new ATOM 0 HD22 ASN A 60 18.608 34.092 5.245 1.00 0.00 H new ATOM 962 N ILE A 61 23.192 33.160 8.339 1.00 0.00 N ATOM 963 CA ILE A 61 24.505 33.609 8.797 1.00 0.00 C ATOM 964 C ILE A 61 25.351 33.977 7.579 1.00 0.00 C ATOM 965 O ILE A 61 25.856 33.094 6.893 1.00 0.00 O ATOM 966 CB ILE A 61 25.200 32.472 9.557 1.00 0.00 C ATOM 967 CG1 ILE A 61 24.456 32.179 10.862 1.00 0.00 C ATOM 968 CG2 ILE A 61 26.645 32.863 9.876 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.970 30.859 11.447 1.00 0.00 C ATOM 0 H ILE A 61 23.168 32.180 8.057 1.00 0.00 H new ATOM 0 HA ILE A 61 24.389 34.471 9.454 1.00 0.00 H new ATOM 0 HB ILE A 61 25.195 31.580 8.930 1.00 0.00 H new ATOM 0 HG12 ILE A 61 24.610 32.991 11.573 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.384 32.116 10.677 1.00 0.00 H new ATOM 0 HG21 ILE A 61 27.131 32.050 10.416 1.00 0.00 H new ATOM 0 HG22 ILE A 61 27.183 33.055 8.948 1.00 0.00 H new ATOM 0 HG23 ILE A 61 26.651 33.762 10.492 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.444 30.644 12.377 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.793 30.052 10.735 1.00 0.00 H new ATOM 0 HD13 ILE A 61 26.039 30.940 11.645 1.00 0.00 H new ATOM 981 N GLN A 62 25.487 35.270 7.291 1.00 0.00 N ATOM 982 CA GLN A 62 26.261 35.697 6.119 1.00 0.00 C ATOM 983 C GLN A 62 27.744 35.857 6.432 1.00 0.00 C ATOM 984 O GLN A 62 28.182 35.679 7.569 1.00 0.00 O ATOM 985 CB GLN A 62 25.720 37.015 5.572 1.00 0.00 C ATOM 986 CG GLN A 62 24.238 36.857 5.236 1.00 0.00 C ATOM 987 CD GLN A 62 23.702 38.153 4.642 1.00 0.00 C ATOM 988 OE1 GLN A 62 24.314 38.725 3.741 1.00 0.00 O ATOM 989 NE2 GLN A 62 22.586 38.654 5.096 1.00 0.00 N ATOM 0 H GLN A 62 25.082 36.029 7.838 1.00 0.00 H new ATOM 0 HA GLN A 62 26.155 34.911 5.371 1.00 0.00 H new ATOM 0 HB2 GLN A 62 25.855 37.809 6.307 1.00 0.00 H new ATOM 0 HB3 GLN A 62 26.277 37.307 4.682 1.00 0.00 H new ATOM 0 HG2 GLN A 62 24.101 36.039 4.529 1.00 0.00 H new ATOM 0 HG3 GLN A 62 23.678 36.599 6.135 1.00 0.00 H new ATOM 0 HE21 GLN A 62 22.080 38.178 5.843 1.00 0.00 H new ATOM 0 HE22 GLN A 62 22.220 39.521 4.704 1.00 0.00 H new ATOM 998 N LYS A 63 28.509 36.167 5.389 1.00 0.00 N ATOM 999 CA LYS A 63 29.952 36.322 5.523 1.00 0.00 C ATOM 1000 C LYS A 63 30.317 37.424 6.510 1.00 0.00 C ATOM 1001 O LYS A 63 29.643 38.450 6.605 1.00 0.00 O ATOM 1002 CB LYS A 63 30.595 36.599 4.153 1.00 0.00 C ATOM 1003 CG LYS A 63 30.223 37.995 3.630 1.00 0.00 C ATOM 1004 CD LYS A 63 30.851 38.179 2.243 1.00 0.00 C ATOM 1005 CE LYS A 63 30.281 39.427 1.564 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.443 40.602 2.464 1.00 0.00 N ATOM 0 H LYS A 63 28.154 36.315 4.444 1.00 0.00 H new ATOM 0 HA LYS A 63 30.343 35.384 5.917 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.679 36.517 4.235 1.00 0.00 H new ATOM 0 HB3 LYS A 63 30.271 35.843 3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 63 29.140 38.101 3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 63 30.583 38.764 4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.933 38.269 2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.655 37.301 1.628 1.00 0.00 H new ATOM 0 HE2 LYS A 63 30.794 39.606 0.619 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.227 39.277 1.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.364 41.478 1.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.701 40.586 3.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 31.377 40.564 2.920 1.00 0.00 H new ATOM 1020 N GLU A 64 31.413 37.191 7.225 1.00 0.00 N ATOM 1021 CA GLU A 64 31.925 38.147 8.201 1.00 0.00 C ATOM 1022 C GLU A 64 30.890 38.494 9.269 1.00 0.00 C ATOM 1023 O GLU A 64 30.401 39.622 9.334 1.00 0.00 O ATOM 1024 CB GLU A 64 32.404 39.411 7.491 1.00 0.00 C ATOM 1025 CG GLU A 64 33.338 39.010 6.346 1.00 0.00 C ATOM 1026 CD GLU A 64 33.909 40.249 5.667 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.728 41.331 6.201 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.520 40.098 4.622 1.00 0.00 O ATOM 0 H GLU A 64 31.969 36.339 7.145 1.00 0.00 H new ATOM 0 HA GLU A 64 32.765 37.677 8.712 1.00 0.00 H new ATOM 0 HB2 GLU A 64 31.553 39.972 7.105 1.00 0.00 H new ATOM 0 HB3 GLU A 64 32.925 40.063 8.192 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.149 38.391 6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 64 32.794 38.407 5.619 1.00 0.00 H new HETATM 1035 N SEP A 65 30.591 37.520 10.131 1.00 0.00 N HETATM 1036 CA SEP A 65 29.643 37.711 11.233 1.00 0.00 C HETATM 1037 CB SEP A 65 28.355 36.922 10.969 1.00 0.00 C HETATM 1038 OG SEP A 65 27.561 37.616 10.013 1.00 0.00 O HETATM 1039 C SEP A 65 30.296 37.209 12.518 1.00 0.00 C HETATM 1040 O SEP A 65 31.230 36.403 12.460 1.00 0.00 O HETATM 1041 P SEP A 65 26.897 38.953 10.382 1.00 0.00 P HETATM 1042 O1P SEP A 65 27.729 40.046 9.630 1.00 0.00 O HETATM 1043 O2P SEP A 65 27.003 39.057 11.942 1.00 0.00 O HETATM 1044 O3P SEP A 65 25.419 38.838 9.870 1.00 0.00 O HETATM 0 HB3 SEP A 65 28.596 35.924 10.602 1.00 0.00 H new HETATM 0 HB2 SEP A 65 27.797 36.794 11.897 1.00 0.00 H new HETATM 0 HA SEP A 65 29.389 38.767 11.322 1.00 0.00 H new ATOM 1049 N THR A 66 29.823 37.670 13.678 1.00 0.00 N ATOM 1050 CA THR A 66 30.402 37.227 14.951 1.00 0.00 C ATOM 1051 C THR A 66 29.543 36.131 15.574 1.00 0.00 C ATOM 1052 O THR A 66 28.366 36.343 15.868 1.00 0.00 O ATOM 1053 CB THR A 66 30.510 38.405 15.920 1.00 0.00 C ATOM 1054 OG1 THR A 66 31.179 39.481 15.278 1.00 0.00 O ATOM 1055 CG2 THR A 66 31.305 37.973 17.153 1.00 0.00 C ATOM 0 H THR A 66 29.056 38.337 13.764 1.00 0.00 H new ATOM 0 HA THR A 66 31.398 36.830 14.755 1.00 0.00 H new ATOM 0 HB THR A 66 29.513 38.725 16.223 1.00 0.00 H new ATOM 0 HG1 THR A 66 31.248 40.238 15.896 1.00 0.00 H new ATOM 0 HG21 THR A 66 31.384 38.810 17.846 1.00 0.00 H new ATOM 0 HG22 THR A 66 30.795 37.143 17.643 1.00 0.00 H new ATOM 0 HG23 THR A 66 32.303 37.657 16.850 1.00 0.00 H new ATOM 1063 N LEU A 67 30.147 34.960 15.778 1.00 0.00 N ATOM 1064 CA LEU A 67 29.448 33.820 16.374 1.00 0.00 C ATOM 1065 C LEU A 67 29.814 33.714 17.856 1.00 0.00 C ATOM 1066 O LEU A 67 30.954 34.005 18.238 1.00 0.00 O ATOM 1067 CB LEU A 67 29.851 32.531 15.647 1.00 0.00 C ATOM 1068 CG LEU A 67 28.973 31.356 16.114 1.00 0.00 C ATOM 1069 CD1 LEU A 67 27.507 31.580 15.686 1.00 0.00 C ATOM 1070 CD2 LEU A 67 29.509 30.046 15.501 1.00 0.00 C ATOM 0 H LEU A 67 31.121 34.775 15.539 1.00 0.00 H new ATOM 0 HA LEU A 67 28.372 33.964 16.278 1.00 0.00 H new ATOM 0 HB2 LEU A 67 29.747 32.665 14.570 1.00 0.00 H new ATOM 0 HB3 LEU A 67 30.900 32.309 15.841 1.00 0.00 H new ATOM 0 HG LEU A 67 29.008 31.290 17.201 1.00 0.00 H new ATOM 0 HD11 LEU A 67 26.897 30.741 16.023 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.134 32.502 16.133 1.00 0.00 H new ATOM 0 HD13 LEU A 67 27.452 31.655 14.600 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.890 29.211 15.829 1.00 0.00 H new ATOM 0 HD22 LEU A 67 29.479 30.114 14.414 1.00 0.00 H new ATOM 0 HD23 LEU A 67 30.537 29.886 15.827 1.00 0.00 H new ATOM 1082 N HIS A 68 28.855 33.301 18.698 1.00 0.00 N ATOM 1083 CA HIS A 68 29.121 33.176 20.130 1.00 0.00 C ATOM 1084 C HIS A 68 29.493 31.733 20.476 1.00 0.00 C ATOM 1085 O HIS A 68 28.723 30.810 20.211 1.00 0.00 O ATOM 1086 CB HIS A 68 27.883 33.592 20.925 1.00 0.00 C ATOM 1087 CG HIS A 68 27.679 35.079 20.799 1.00 0.00 C ATOM 1088 ND1 HIS A 68 28.648 35.993 21.184 1.00 0.00 N ATOM 1089 CD2 HIS A 68 26.623 35.825 20.336 1.00 0.00 C ATOM 1090 CE1 HIS A 68 28.160 37.225 20.947 1.00 0.00 C ATOM 1091 NE2 HIS A 68 26.930 37.180 20.430 1.00 0.00 N ATOM 0 H HIS A 68 27.907 33.053 18.415 1.00 0.00 H new ATOM 0 HA HIS A 68 29.955 33.828 20.390 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.006 33.062 20.555 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.002 33.318 21.973 1.00 0.00 H new ATOM 0 HD2 HIS A 68 25.696 35.422 19.957 1.00 0.00 H new ATOM 0 HE1 HIS A 68 28.698 38.139 21.150 1.00 0.00 H new ATOM 0 HE2 HIS A 68 26.342 37.969 20.162 1.00 0.00 H new ATOM 1100 N LEU A 69 30.673 31.536 21.078 1.00 0.00 N ATOM 1101 CA LEU A 69 31.129 30.219 21.462 1.00 0.00 C ATOM 1102 C LEU A 69 31.154 30.129 22.973 1.00 0.00 C ATOM 1103 O LEU A 69 31.894 30.845 23.649 1.00 0.00 O ATOM 1104 CB LEU A 69 32.528 29.969 20.892 1.00 0.00 C ATOM 1105 CG LEU A 69 33.005 28.533 21.240 1.00 0.00 C ATOM 1106 CD1 LEU A 69 33.748 27.927 20.043 1.00 0.00 C ATOM 1107 CD2 LEU A 69 33.950 28.570 22.455 1.00 0.00 C ATOM 0 H LEU A 69 31.325 32.287 21.306 1.00 0.00 H new ATOM 0 HA LEU A 69 30.453 29.462 21.066 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.516 30.103 19.810 1.00 0.00 H new ATOM 0 HB3 LEU A 69 33.228 30.700 21.296 1.00 0.00 H new ATOM 0 HG LEU A 69 32.134 27.923 21.477 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.080 26.919 20.293 1.00 0.00 H new ATOM 0 HD12 LEU A 69 33.080 27.886 19.183 1.00 0.00 H new ATOM 0 HD13 LEU A 69 34.613 28.545 19.801 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.279 27.558 22.691 1.00 0.00 H new ATOM 0 HD22 LEU A 69 34.817 29.189 22.223 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.424 28.990 23.312 1.00 0.00 H new ATOM 1119 N VAL A 70 30.326 29.247 23.487 1.00 0.00 N ATOM 1120 CA VAL A 70 30.214 29.031 24.929 1.00 0.00 C ATOM 1121 C VAL A 70 30.364 27.549 25.246 1.00 0.00 C ATOM 1122 O VAL A 70 30.056 26.692 24.417 1.00 0.00 O ATOM 1123 CB VAL A 70 28.855 29.537 25.418 1.00 0.00 C ATOM 1124 CG1 VAL A 70 28.703 31.019 25.066 1.00 0.00 C ATOM 1125 CG2 VAL A 70 27.743 28.736 24.738 1.00 0.00 C ATOM 0 H VAL A 70 29.710 28.657 22.928 1.00 0.00 H new ATOM 0 HA VAL A 70 31.006 29.581 25.438 1.00 0.00 H new ATOM 0 HB VAL A 70 28.788 29.413 26.499 1.00 0.00 H new ATOM 0 HG11 VAL A 70 27.735 31.378 25.415 1.00 0.00 H new ATOM 0 HG12 VAL A 70 29.497 31.590 25.547 1.00 0.00 H new ATOM 0 HG13 VAL A 70 28.769 31.145 23.985 1.00 0.00 H new ATOM 0 HG21 VAL A 70 26.773 29.094 25.084 1.00 0.00 H new ATOM 0 HG22 VAL A 70 27.812 28.862 23.658 1.00 0.00 H new ATOM 0 HG23 VAL A 70 27.850 27.680 24.987 1.00 0.00 H new ATOM 1135 N LEU A 71 30.844 27.253 26.449 1.00 0.00 N ATOM 1136 CA LEU A 71 31.037 25.869 26.865 1.00 0.00 C ATOM 1137 C LEU A 71 29.746 25.291 27.425 1.00 0.00 C ATOM 1138 O LEU A 71 28.704 25.946 27.426 1.00 0.00 O ATOM 1139 CB LEU A 71 32.140 25.783 27.920 1.00 0.00 C ATOM 1140 CG LEU A 71 33.316 26.691 27.530 1.00 0.00 C ATOM 1141 CD1 LEU A 71 34.520 26.384 28.425 1.00 0.00 C ATOM 1142 CD2 LEU A 71 33.699 26.454 26.063 1.00 0.00 C ATOM 0 H LEU A 71 31.105 27.948 27.149 1.00 0.00 H new ATOM 0 HA LEU A 71 31.331 25.288 25.990 1.00 0.00 H new ATOM 0 HB2 LEU A 71 31.748 26.081 28.892 1.00 0.00 H new ATOM 0 HB3 LEU A 71 32.482 24.753 28.016 1.00 0.00 H new ATOM 0 HG LEU A 71 33.019 27.732 27.659 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.354 27.029 28.147 1.00 0.00 H new ATOM 0 HD12 LEU A 71 34.254 26.563 29.467 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.810 25.341 28.299 1.00 0.00 H new ATOM 0 HD21 LEU A 71 34.534 27.102 25.796 1.00 0.00 H new ATOM 0 HD22 LEU A 71 33.990 25.413 25.927 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.846 26.679 25.423 1.00 0.00 H new ATOM 1154 N ARG A 72 29.827 24.056 27.903 1.00 0.00 N ATOM 1155 CA ARG A 72 28.661 23.392 28.472 1.00 0.00 C ATOM 1156 C ARG A 72 28.388 23.922 29.874 1.00 0.00 C ATOM 1157 O ARG A 72 27.299 24.417 30.160 1.00 0.00 O ATOM 1158 CB ARG A 72 28.898 21.883 28.532 1.00 0.00 C ATOM 1159 CG ARG A 72 27.597 21.174 28.913 1.00 0.00 C ATOM 1160 CD ARG A 72 27.843 19.667 28.994 1.00 0.00 C ATOM 1161 NE ARG A 72 28.721 19.359 30.117 1.00 0.00 N ATOM 1162 CZ ARG A 72 29.213 18.135 30.290 1.00 0.00 C ATOM 1163 NH1 ARG A 72 29.999 17.885 31.301 1.00 0.00 N ATOM 1164 NH2 ARG A 72 28.908 17.186 29.449 1.00 0.00 N ATOM 0 H ARG A 72 30.680 23.497 27.909 1.00 0.00 H new ATOM 0 HA ARG A 72 27.798 23.596 27.839 1.00 0.00 H new ATOM 0 HB2 ARG A 72 29.252 21.522 27.566 1.00 0.00 H new ATOM 0 HB3 ARG A 72 29.675 21.655 29.262 1.00 0.00 H new ATOM 0 HG2 ARG A 72 27.235 21.546 29.871 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.824 21.388 28.175 1.00 0.00 H new ATOM 0 HD2 ARG A 72 26.895 19.142 29.110 1.00 0.00 H new ATOM 0 HD3 ARG A 72 28.291 19.314 28.065 1.00 0.00 H new ATOM 0 HE ARG A 72 28.962 20.095 30.781 1.00 0.00 H new ATOM 0 HH11 ARG A 72 30.236 18.628 31.959 1.00 0.00 H new ATOM 0 HH12 ARG A 72 30.376 16.947 31.434 1.00 0.00 H new ATOM 0 HH21 ARG A 72 28.293 17.383 28.659 1.00 0.00 H new ATOM 0 HH22 ARG A 72 29.285 16.247 29.581 1.00 0.00 H new ATOM 1178 N LEU A 73 29.390 23.825 30.743 1.00 0.00 N ATOM 1179 CA LEU A 73 29.252 24.305 32.112 1.00 0.00 C ATOM 1180 C LEU A 73 29.494 25.812 32.164 1.00 0.00 C ATOM 1181 O LEU A 73 29.151 26.474 33.145 1.00 0.00 O ATOM 1182 CB LEU A 73 30.249 23.585 33.029 1.00 0.00 C ATOM 1183 CG LEU A 73 30.236 22.077 32.735 1.00 0.00 C ATOM 1184 CD1 LEU A 73 31.270 21.369 33.617 1.00 0.00 C ATOM 1185 CD2 LEU A 73 28.845 21.505 33.030 1.00 0.00 C ATOM 0 H LEU A 73 30.301 23.421 30.524 1.00 0.00 H new ATOM 0 HA LEU A 73 28.240 24.094 32.457 1.00 0.00 H new ATOM 0 HB2 LEU A 73 31.251 23.985 32.876 1.00 0.00 H new ATOM 0 HB3 LEU A 73 29.990 23.763 34.073 1.00 0.00 H new ATOM 0 HG LEU A 73 30.482 21.917 31.685 1.00 0.00 H new ATOM 0 HD11 LEU A 73 31.258 20.300 33.405 1.00 0.00 H new ATOM 0 HD12 LEU A 73 32.262 21.769 33.407 1.00 0.00 H new ATOM 0 HD13 LEU A 73 31.027 21.534 34.667 1.00 0.00 H new ATOM 0 HD21 LEU A 73 28.839 20.435 32.820 1.00 0.00 H new ATOM 0 HD22 LEU A 73 28.598 21.670 34.079 1.00 0.00 H new ATOM 0 HD23 LEU A 73 28.106 22.002 32.401 1.00 0.00 H new ATOM 1197 N ARG A 74 30.079 26.349 31.094 1.00 0.00 N ATOM 1198 CA ARG A 74 30.356 27.780 31.021 1.00 0.00 C ATOM 1199 C ARG A 74 31.166 28.235 32.229 1.00 0.00 C ATOM 1200 O ARG A 74 30.605 28.660 33.239 1.00 0.00 O ATOM 1201 CB ARG A 74 29.041 28.560 30.959 1.00 0.00 C ATOM 1202 CG ARG A 74 29.334 30.039 30.705 1.00 0.00 C ATOM 1203 CD ARG A 74 28.016 30.804 30.563 1.00 0.00 C ATOM 1204 NE ARG A 74 27.254 30.292 29.429 1.00 0.00 N ATOM 1205 CZ ARG A 74 26.041 30.758 29.152 1.00 0.00 C ATOM 1206 NH1 ARG A 74 25.377 30.283 28.134 1.00 0.00 N ATOM 1207 NH2 ARG A 74 25.513 31.691 29.896 1.00 0.00 N ATOM 0 H ARG A 74 30.368 25.818 30.272 1.00 0.00 H new ATOM 0 HA ARG A 74 30.938 27.974 30.120 1.00 0.00 H new ATOM 0 HB2 ARG A 74 28.408 28.163 30.166 1.00 0.00 H new ATOM 0 HB3 ARG A 74 28.492 28.443 31.894 1.00 0.00 H new ATOM 0 HG2 ARG A 74 29.919 30.451 31.527 1.00 0.00 H new ATOM 0 HG3 ARG A 74 29.932 30.152 29.800 1.00 0.00 H new ATOM 0 HD2 ARG A 74 27.431 30.706 31.477 1.00 0.00 H new ATOM 0 HD3 ARG A 74 28.217 31.866 30.425 1.00 0.00 H new ATOM 0 HE ARG A 74 27.659 29.565 28.840 1.00 0.00 H new ATOM 0 HH11 ARG A 74 25.789 29.554 27.551 1.00 0.00 H new ATOM 0 HH12 ARG A 74 24.446 30.640 27.921 1.00 0.00 H new ATOM 0 HH21 ARG A 74 26.032 32.064 30.691 1.00 0.00 H new ATOM 0 HH22 ARG A 74 24.582 32.048 29.682 1.00 0.00 H new ATOM 1221 N GLY A 75 32.487 28.142 32.121 1.00 0.00 N ATOM 1222 CA GLY A 75 33.363 28.547 33.215 1.00 0.00 C ATOM 1223 C GLY A 75 34.826 28.301 32.864 1.00 0.00 C ATOM 1224 O GLY A 75 35.600 29.243 32.695 1.00 0.00 O ATOM 0 H GLY A 75 32.972 27.793 31.294 1.00 0.00 H new ATOM 0 HA2 GLY A 75 33.211 29.604 33.435 1.00 0.00 H new ATOM 0 HA3 GLY A 75 33.104 27.993 34.117 1.00 0.00 H new ATOM 1228 N GLY A 76 35.199 27.029 32.754 1.00 0.00 N ATOM 1229 CA GLY A 76 36.573 26.674 32.422 1.00 0.00 C ATOM 1230 C GLY A 76 37.095 27.530 31.273 1.00 0.00 C ATOM 1231 O GLY A 76 38.282 27.812 31.262 1.00 0.00 O ATOM 1232 OXT GLY A 76 36.300 27.891 30.422 1.00 0.00 O ATOM 0 H GLY A 76 34.574 26.234 32.889 1.00 0.00 H new ATOM 0 HA2 GLY A 76 37.209 26.807 33.297 1.00 0.00 H new ATOM 0 HA3 GLY A 76 36.624 25.620 32.148 1.00 0.00 H new TER 1236 GLY A 76