USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 786 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 204 CYS SG : rot 177:sc= -0.394 USER MOD Set 1.2: B 207 CYS SG : rot -63:sc= -0.823 USER MOD Set 1.3: B 219 HIS : no HD1:sc= -0.0599 X(o=-1.2,f=-1.5) USER MOD Set 1.4: B 223 CYS SG : rot 85:sc= 0.0424 USER MOD Set 2.1: A 7 THR OG1 : rot 134:sc= 0.661 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.961 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -140:sc= 1.25 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 1.1 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0.81 (180deg=0.624) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= -1.47 (180deg=-3.44!) USER MOD Single : A 14 THR OG1 : rot -90:sc= 0.0409 USER MOD Single : A 20 SER OG : rot -38:sc= 0.185 USER MOD Single : A 22 THR OG1 : rot 35:sc= 0.685 USER MOD Single : A 25 ASN : amide:sc= -0.787 K(o=-0.79,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= 0.258 (180deg=-0.415) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.958 K(o=-0.96,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -149:sc= 0.778 (180deg=0.261) USER MOD Single : A 40 GLN : amide:sc= -0.0294 X(o=-0.029,f=0.017) USER MOD Single : A 41 GLN : amide:sc= -3.91! C(o=-3.9!,f=-8.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.47 X(o=-2.5,f=-2.8!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -81:sc= 0.213 USER MOD Single : A 60 ASN : amide:sc= -0.0553 X(o=-0.055,f=0) USER MOD Single : A 62 GLN : amide:sc=0.000698 X(o=0.0007,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 143:sc= 0.0178 (180deg=0) USER MOD Single : A 65 SER OG : rot -130:sc= 0.19 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 201 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0158) USER MOD Single : B 210 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 214 SER OG : rot 180:sc= 0 USER MOD Single : B 215 HIS : no HD1:sc= -0.0235 X(o=-0.023,f=-0.0037) USER MOD Single : B 217 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.6) USER MOD Single : B 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N MET A 1 4.760 9.388 -0.234 1.00 0.00 N ATOM 40 CA MET A 1 5.464 10.629 -0.594 1.00 0.00 C ATOM 41 C MET A 1 6.206 11.187 0.627 1.00 0.00 C ATOM 42 O MET A 1 5.926 10.810 1.770 1.00 0.00 O ATOM 43 CB MET A 1 4.458 11.673 -1.151 1.00 0.00 C ATOM 44 CG MET A 1 3.670 11.176 -2.368 1.00 0.00 C ATOM 45 SD MET A 1 4.755 10.738 -3.744 1.00 0.00 S ATOM 46 CE MET A 1 3.620 9.885 -4.841 1.00 0.00 C ATOM 0 H1 MET A 1 4.374 8.946 -1.093 1.00 0.00 H new ATOM 0 H2 MET A 1 5.425 8.732 0.224 1.00 0.00 H new ATOM 0 H3 MET A 1 3.983 9.607 0.421 1.00 0.00 H new ATOM 0 HA MET A 1 6.196 10.410 -1.371 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.758 11.947 -0.362 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.000 12.578 -1.424 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.075 10.308 -2.085 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.972 11.950 -2.689 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.153 9.558 -5.734 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.202 9.018 -4.330 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.814 10.560 -5.127 1.00 0.00 H new ATOM 56 N GLN A 2 7.155 12.087 0.366 1.00 0.00 N ATOM 57 CA GLN A 2 7.961 12.741 1.402 1.00 0.00 C ATOM 58 C GLN A 2 7.467 14.165 1.624 1.00 0.00 C ATOM 59 O GLN A 2 7.421 14.965 0.692 1.00 0.00 O ATOM 60 CB GLN A 2 9.467 12.723 1.022 1.00 0.00 C ATOM 61 CG GLN A 2 10.141 11.347 1.222 1.00 0.00 C ATOM 62 CD GLN A 2 11.584 11.278 0.704 1.00 0.00 C ATOM 63 OE1 GLN A 2 11.963 11.986 -0.226 1.00 0.00 O ATOM 64 NE2 GLN A 2 12.388 10.404 1.279 1.00 0.00 N ATOM 0 H GLN A 2 7.389 12.387 -0.580 1.00 0.00 H new ATOM 0 HA GLN A 2 7.850 12.188 2.335 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.573 13.022 -0.021 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.993 13.466 1.622 1.00 0.00 H new ATOM 0 HG2 GLN A 2 10.135 11.102 2.284 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.547 10.586 0.716 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.048 9.828 2.049 1.00 0.00 H new ATOM 0 HE22 GLN A 2 13.349 10.304 0.953 1.00 0.00 H new ATOM 73 N ILE A 3 7.095 14.452 2.877 1.00 0.00 N ATOM 74 CA ILE A 3 6.630 15.777 3.334 1.00 0.00 C ATOM 75 C ILE A 3 7.489 16.211 4.523 1.00 0.00 C ATOM 76 O ILE A 3 8.019 15.366 5.258 1.00 0.00 O ATOM 77 CB ILE A 3 5.087 15.819 3.726 1.00 0.00 C ATOM 78 CG1 ILE A 3 4.669 14.640 4.676 1.00 0.00 C ATOM 79 CG2 ILE A 3 4.194 15.858 2.465 1.00 0.00 C ATOM 80 CD1 ILE A 3 4.541 13.269 4.002 1.00 0.00 C ATOM 0 H ILE A 3 7.107 13.756 3.623 1.00 0.00 H new ATOM 0 HA ILE A 3 6.738 16.466 2.496 1.00 0.00 H new ATOM 0 HB ILE A 3 4.934 16.741 4.287 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.402 14.565 5.479 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.714 14.889 5.139 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.146 15.886 2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 3 4.429 16.747 1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.376 14.968 1.862 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.249 12.525 4.743 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.784 13.318 3.219 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.499 12.988 3.564 1.00 0.00 H new ATOM 92 N PHE A 4 7.628 17.533 4.699 1.00 0.00 N ATOM 93 CA PHE A 4 8.572 18.115 5.661 1.00 0.00 C ATOM 94 C PHE A 4 7.812 18.790 6.805 1.00 0.00 C ATOM 95 O PHE A 4 7.111 19.777 6.615 1.00 0.00 O ATOM 96 CB PHE A 4 9.523 19.107 4.941 1.00 0.00 C ATOM 97 CG PHE A 4 10.365 18.432 3.855 1.00 0.00 C ATOM 98 CD1 PHE A 4 11.571 17.810 4.177 1.00 0.00 C ATOM 99 CD2 PHE A 4 9.935 18.385 2.527 1.00 0.00 C ATOM 100 CE1 PHE A 4 12.324 17.176 3.207 1.00 0.00 C ATOM 101 CE2 PHE A 4 10.687 17.744 1.559 1.00 0.00 C ATOM 102 CZ PHE A 4 11.882 17.139 1.901 1.00 0.00 C ATOM 0 H PHE A 4 7.090 18.226 4.179 1.00 0.00 H new ATOM 0 HA PHE A 4 9.183 17.322 6.092 1.00 0.00 H new ATOM 0 HB2 PHE A 4 8.935 19.909 4.494 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.185 19.568 5.675 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.921 17.824 5.199 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.003 18.856 2.252 1.00 0.00 H new ATOM 0 HE1 PHE A 4 13.261 16.708 3.472 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.341 17.716 0.536 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.469 16.638 1.146 1.00 0.00 H new ATOM 112 N VAL A 5 7.947 18.217 7.989 1.00 0.00 N ATOM 113 CA VAL A 5 7.366 18.731 9.226 1.00 0.00 C ATOM 114 C VAL A 5 8.510 19.341 10.046 1.00 0.00 C ATOM 115 O VAL A 5 9.480 18.664 10.358 1.00 0.00 O ATOM 116 CB VAL A 5 6.617 17.573 9.995 1.00 0.00 C ATOM 117 CG1 VAL A 5 6.327 17.930 11.455 1.00 0.00 C ATOM 118 CG2 VAL A 5 5.300 17.194 9.270 1.00 0.00 C ATOM 0 H VAL A 5 8.478 17.357 8.124 1.00 0.00 H new ATOM 0 HA VAL A 5 6.618 19.500 9.031 1.00 0.00 H new ATOM 0 HB VAL A 5 7.288 16.714 9.996 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.811 17.100 11.937 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.265 18.126 11.975 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.698 18.819 11.494 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.801 16.394 9.817 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.646 18.065 9.224 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.526 16.856 8.259 1.00 0.00 H new ATOM 128 N LYS A 6 8.410 20.638 10.335 1.00 0.00 N ATOM 129 CA LYS A 6 9.465 21.404 11.006 1.00 0.00 C ATOM 130 C LYS A 6 8.993 21.806 12.412 1.00 0.00 C ATOM 131 O LYS A 6 8.000 22.527 12.528 1.00 0.00 O ATOM 132 CB LYS A 6 9.777 22.679 10.168 1.00 0.00 C ATOM 133 CG LYS A 6 11.127 23.349 10.504 1.00 0.00 C ATOM 134 CD LYS A 6 12.324 22.619 9.860 1.00 0.00 C ATOM 135 CE LYS A 6 13.667 23.269 10.212 1.00 0.00 C ATOM 136 NZ LYS A 6 14.797 22.658 9.475 1.00 0.00 N ATOM 0 H LYS A 6 7.586 21.195 10.108 1.00 0.00 H new ATOM 0 HA LYS A 6 10.365 20.796 11.094 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.770 22.415 9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.978 23.404 10.321 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.110 24.384 10.163 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.259 23.372 11.586 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.330 21.579 10.188 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.201 22.611 8.777 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.623 24.334 9.987 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.843 23.177 11.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.617 22.570 10.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.520 21.715 9.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.049 23.259 8.665 1.00 0.00 H new ATOM 150 N THR A 7 9.700 21.357 13.470 1.00 0.00 N ATOM 151 CA THR A 7 9.346 21.714 14.856 1.00 0.00 C ATOM 152 C THR A 7 9.644 23.192 15.154 1.00 0.00 C ATOM 153 O THR A 7 10.357 23.869 14.398 1.00 0.00 O ATOM 154 CB THR A 7 10.093 20.838 15.912 1.00 0.00 C ATOM 155 OG1 THR A 7 11.505 20.958 15.729 1.00 0.00 O ATOM 156 CG2 THR A 7 9.686 19.365 15.841 1.00 0.00 C ATOM 0 H THR A 7 10.515 20.749 13.390 1.00 0.00 H new ATOM 0 HA THR A 7 8.275 21.528 14.938 1.00 0.00 H new ATOM 0 HB THR A 7 9.810 21.207 16.898 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.937 21.095 16.598 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.233 18.800 16.595 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.616 19.274 16.025 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.919 18.971 14.852 1.00 0.00 H new ATOM 164 N LEU A 8 9.108 23.663 16.289 1.00 0.00 N ATOM 165 CA LEU A 8 9.388 25.007 16.815 1.00 0.00 C ATOM 166 C LEU A 8 10.816 25.083 17.406 1.00 0.00 C ATOM 167 O LEU A 8 11.351 26.181 17.580 1.00 0.00 O ATOM 168 CB LEU A 8 8.352 25.376 17.895 1.00 0.00 C ATOM 169 CG LEU A 8 6.854 25.368 17.477 1.00 0.00 C ATOM 170 CD1 LEU A 8 5.961 25.666 18.698 1.00 0.00 C ATOM 171 CD2 LEU A 8 6.579 26.360 16.319 1.00 0.00 C ATOM 0 H LEU A 8 8.467 23.122 16.869 1.00 0.00 H new ATOM 0 HA LEU A 8 9.319 25.718 15.992 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.473 24.685 18.729 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.593 26.371 18.268 1.00 0.00 H new ATOM 0 HG LEU A 8 6.609 24.373 17.105 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.914 25.658 18.394 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.123 24.905 19.462 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.214 26.646 19.103 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.522 26.326 16.054 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.842 27.370 16.635 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.179 26.083 15.452 1.00 0.00 H new ATOM 183 N THR A 9 11.411 23.910 17.728 1.00 0.00 N ATOM 184 CA THR A 9 12.834 23.807 18.131 1.00 0.00 C ATOM 185 C THR A 9 13.752 23.857 16.886 1.00 0.00 C ATOM 186 O THR A 9 14.971 24.025 17.003 1.00 0.00 O ATOM 187 CB THR A 9 13.105 22.504 18.965 1.00 0.00 C ATOM 188 OG1 THR A 9 12.668 21.341 18.238 1.00 0.00 O ATOM 189 CG2 THR A 9 12.401 22.537 20.334 1.00 0.00 C ATOM 0 H THR A 9 10.923 23.015 17.716 1.00 0.00 H new ATOM 0 HA THR A 9 13.062 24.660 18.770 1.00 0.00 H new ATOM 0 HB THR A 9 14.181 22.454 19.134 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.845 20.537 18.770 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.616 21.616 20.876 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.763 23.389 20.909 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.325 22.629 20.188 1.00 0.00 H new ATOM 197 N GLY A 10 13.134 23.706 15.697 1.00 0.00 N ATOM 198 CA GLY A 10 13.795 23.952 14.419 1.00 0.00 C ATOM 199 C GLY A 10 14.444 22.723 13.809 1.00 0.00 C ATOM 200 O GLY A 10 15.412 22.849 13.047 1.00 0.00 O ATOM 0 H GLY A 10 12.162 23.410 15.606 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.064 24.351 13.715 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.556 24.720 14.558 1.00 0.00 H new ATOM 204 N LYS A 11 13.930 21.534 14.143 1.00 0.00 N ATOM 205 CA LYS A 11 14.382 20.273 13.528 1.00 0.00 C ATOM 206 C LYS A 11 13.457 19.926 12.342 1.00 0.00 C ATOM 207 O LYS A 11 12.285 20.329 12.324 1.00 0.00 O ATOM 208 CB LYS A 11 14.422 19.106 14.568 1.00 0.00 C ATOM 209 CG LYS A 11 13.103 18.318 14.717 1.00 0.00 C ATOM 210 CD LYS A 11 13.195 17.064 15.612 1.00 0.00 C ATOM 211 CE LYS A 11 13.932 15.884 14.946 1.00 0.00 C ATOM 212 NZ LYS A 11 15.382 16.139 14.726 1.00 0.00 N ATOM 0 H LYS A 11 13.195 21.415 14.840 1.00 0.00 H new ATOM 0 HA LYS A 11 15.401 20.407 13.165 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.212 18.412 14.282 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.695 19.516 15.541 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.343 18.984 15.126 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.763 18.016 13.726 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.707 17.325 16.538 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.188 16.746 15.883 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.817 14.996 15.568 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.460 15.665 13.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.903 15.240 14.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.520 16.573 13.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.737 16.783 15.462 1.00 0.00 H new ATOM 226 N THR A 12 13.989 19.195 11.353 1.00 0.00 N ATOM 227 CA THR A 12 13.191 18.660 10.234 1.00 0.00 C ATOM 228 C THR A 12 12.809 17.188 10.498 1.00 0.00 C ATOM 229 O THR A 12 13.608 16.407 11.034 1.00 0.00 O ATOM 230 CB THR A 12 13.976 18.765 8.889 1.00 0.00 C ATOM 231 OG1 THR A 12 14.259 20.140 8.609 1.00 0.00 O ATOM 232 CG2 THR A 12 13.207 18.152 7.688 1.00 0.00 C ATOM 0 H THR A 12 14.980 18.957 11.303 1.00 0.00 H new ATOM 0 HA THR A 12 12.283 19.257 10.156 1.00 0.00 H new ATOM 0 HB THR A 12 14.895 18.193 9.013 1.00 0.00 H new ATOM 0 HG1 THR A 12 14.753 20.207 7.766 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.804 18.256 6.782 1.00 0.00 H new ATOM 0 HG22 THR A 12 13.017 17.096 7.878 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.259 18.673 7.559 1.00 0.00 H new ATOM 240 N ILE A 13 11.572 16.844 10.117 1.00 0.00 N ATOM 241 CA ILE A 13 11.025 15.480 10.167 1.00 0.00 C ATOM 242 C ILE A 13 10.459 15.151 8.771 1.00 0.00 C ATOM 243 O ILE A 13 9.466 15.746 8.356 1.00 0.00 O ATOM 244 CB ILE A 13 9.879 15.340 11.257 1.00 0.00 C ATOM 245 CG1 ILE A 13 10.370 15.754 12.692 1.00 0.00 C ATOM 246 CG2 ILE A 13 9.301 13.917 11.283 1.00 0.00 C ATOM 247 CD1 ILE A 13 10.151 17.216 13.026 1.00 0.00 C ATOM 0 H ILE A 13 10.905 17.525 9.755 1.00 0.00 H new ATOM 0 HA ILE A 13 11.818 14.787 10.447 1.00 0.00 H new ATOM 0 HB ILE A 13 9.088 16.031 10.965 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.852 15.143 13.431 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.433 15.528 12.779 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.519 13.856 12.040 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.880 13.677 10.306 1.00 0.00 H new ATOM 0 HG23 ILE A 13 10.093 13.207 11.521 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.517 17.418 14.033 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.692 17.837 12.312 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.087 17.446 12.974 1.00 0.00 H new ATOM 259 N THR A 14 11.114 14.244 8.032 1.00 0.00 N ATOM 260 CA THR A 14 10.624 13.786 6.720 1.00 0.00 C ATOM 261 C THR A 14 9.744 12.542 6.912 1.00 0.00 C ATOM 262 O THR A 14 10.199 11.553 7.490 1.00 0.00 O ATOM 263 CB THR A 14 11.807 13.453 5.755 1.00 0.00 C ATOM 264 OG1 THR A 14 12.688 14.592 5.666 1.00 0.00 O ATOM 265 CG2 THR A 14 11.315 13.064 4.338 1.00 0.00 C ATOM 0 H THR A 14 11.990 13.810 8.322 1.00 0.00 H new ATOM 0 HA THR A 14 10.041 14.590 6.271 1.00 0.00 H new ATOM 0 HB THR A 14 12.337 12.594 6.165 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.396 15.175 4.934 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.173 12.841 3.703 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.674 12.185 4.404 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.751 13.892 3.909 1.00 0.00 H new ATOM 273 N LEU A 15 8.489 12.597 6.432 1.00 0.00 N ATOM 274 CA LEU A 15 7.511 11.494 6.590 1.00 0.00 C ATOM 275 C LEU A 15 7.316 10.790 5.257 1.00 0.00 C ATOM 276 O LEU A 15 7.507 11.391 4.198 1.00 0.00 O ATOM 277 CB LEU A 15 6.124 11.984 7.109 1.00 0.00 C ATOM 278 CG LEU A 15 6.109 12.785 8.444 1.00 0.00 C ATOM 279 CD1 LEU A 15 6.916 12.066 9.532 1.00 0.00 C ATOM 280 CD2 LEU A 15 6.602 14.226 8.245 1.00 0.00 C ATOM 0 H LEU A 15 8.120 13.402 5.925 1.00 0.00 H new ATOM 0 HA LEU A 15 7.921 10.813 7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.674 12.607 6.336 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.481 11.112 7.230 1.00 0.00 H new ATOM 0 HG LEU A 15 5.073 12.840 8.780 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.887 12.650 10.452 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.486 11.081 9.713 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.950 11.956 9.205 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.577 14.754 9.198 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.623 14.212 7.864 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.956 14.736 7.531 1.00 0.00 H new ATOM 292 N GLU A 16 6.886 9.528 5.341 1.00 0.00 N ATOM 293 CA GLU A 16 6.689 8.649 4.184 1.00 0.00 C ATOM 294 C GLU A 16 5.215 8.231 4.110 1.00 0.00 C ATOM 295 O GLU A 16 4.855 7.108 4.495 1.00 0.00 O ATOM 296 CB GLU A 16 7.623 7.413 4.301 1.00 0.00 C ATOM 297 CG GLU A 16 9.122 7.755 4.351 1.00 0.00 C ATOM 298 CD GLU A 16 10.004 6.515 4.525 1.00 0.00 C ATOM 299 OE1 GLU A 16 10.202 5.779 3.541 1.00 0.00 O ATOM 300 OE2 GLU A 16 10.512 6.279 5.640 1.00 0.00 O ATOM 0 H GLU A 16 6.661 9.081 6.230 1.00 0.00 H new ATOM 0 HA GLU A 16 6.943 9.177 3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.359 6.857 5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.441 6.753 3.453 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.404 8.271 3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.306 8.446 5.174 1.00 0.00 H new ATOM 307 N VAL A 17 4.357 9.155 3.633 1.00 0.00 N ATOM 308 CA VAL A 17 2.891 8.935 3.509 1.00 0.00 C ATOM 309 C VAL A 17 2.339 9.702 2.297 1.00 0.00 C ATOM 310 O VAL A 17 3.027 10.535 1.705 1.00 0.00 O ATOM 311 CB VAL A 17 2.081 9.363 4.790 1.00 0.00 C ATOM 312 CG1 VAL A 17 2.449 8.540 6.035 1.00 0.00 C ATOM 313 CG2 VAL A 17 2.209 10.874 5.053 1.00 0.00 C ATOM 0 H VAL A 17 4.656 10.079 3.321 1.00 0.00 H new ATOM 0 HA VAL A 17 2.760 7.860 3.383 1.00 0.00 H new ATOM 0 HB VAL A 17 1.034 9.145 4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.858 8.882 6.885 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.242 7.486 5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.509 8.668 6.255 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.639 11.138 5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.258 11.129 5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.821 11.426 4.197 1.00 0.00 H new ATOM 323 N GLU A 18 1.055 9.472 1.992 1.00 0.00 N ATOM 324 CA GLU A 18 0.427 9.938 0.740 1.00 0.00 C ATOM 325 C GLU A 18 -0.297 11.280 0.984 1.00 0.00 C ATOM 326 O GLU A 18 -0.596 11.600 2.125 1.00 0.00 O ATOM 327 CB GLU A 18 -0.577 8.853 0.244 1.00 0.00 C ATOM 328 CG GLU A 18 -0.069 7.408 0.404 1.00 0.00 C ATOM 329 CD GLU A 18 -0.869 6.392 -0.433 1.00 0.00 C ATOM 330 OE1 GLU A 18 -0.542 6.189 -1.622 1.00 0.00 O ATOM 331 OE2 GLU A 18 -1.859 5.826 0.083 1.00 0.00 O ATOM 0 H GLU A 18 0.420 8.959 2.603 1.00 0.00 H new ATOM 0 HA GLU A 18 1.189 10.096 -0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.513 8.961 0.793 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.801 9.034 -0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.981 7.364 0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.121 7.125 1.455 1.00 0.00 H new ATOM 338 N PRO A 19 -0.594 12.099 -0.073 1.00 0.00 N ATOM 339 CA PRO A 19 -1.489 13.277 0.077 1.00 0.00 C ATOM 340 C PRO A 19 -2.946 12.858 0.415 1.00 0.00 C ATOM 341 O PRO A 19 -3.716 13.649 0.934 1.00 0.00 O ATOM 342 CB PRO A 19 -1.385 13.995 -1.297 1.00 0.00 C ATOM 343 CG PRO A 19 -0.953 12.921 -2.251 1.00 0.00 C ATOM 344 CD PRO A 19 -0.059 11.989 -1.456 1.00 0.00 C ATOM 0 HA PRO A 19 -1.199 13.924 0.905 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.341 14.427 -1.592 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.663 14.811 -1.265 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.814 12.387 -2.653 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.417 13.346 -3.100 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.113 10.966 -1.828 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.987 12.293 -1.508 1.00 0.00 H new ATOM 352 N SER A 20 -3.286 11.575 0.181 1.00 0.00 N ATOM 353 CA SER A 20 -4.621 11.024 0.458 1.00 0.00 C ATOM 354 C SER A 20 -4.553 10.193 1.740 1.00 0.00 C ATOM 355 O SER A 20 -5.538 9.575 2.152 1.00 0.00 O ATOM 356 CB SER A 20 -5.122 10.187 -0.745 1.00 0.00 C ATOM 357 OG SER A 20 -6.486 9.810 -0.605 1.00 0.00 O ATOM 0 H SER A 20 -2.637 10.891 -0.207 1.00 0.00 H new ATOM 0 HA SER A 20 -5.338 11.832 0.603 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.998 10.762 -1.663 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.508 9.292 -0.844 1.00 0.00 H new ATOM 0 HG SER A 20 -6.672 9.597 0.333 1.00 0.00 H new ATOM 363 N ASP A 21 -3.362 10.191 2.360 1.00 0.00 N ATOM 364 CA ASP A 21 -3.158 9.673 3.694 1.00 0.00 C ATOM 365 C ASP A 21 -3.655 10.724 4.697 1.00 0.00 C ATOM 366 O ASP A 21 -3.699 11.931 4.419 1.00 0.00 O ATOM 367 CB ASP A 21 -1.668 9.335 3.924 1.00 0.00 C ATOM 368 CG ASP A 21 -1.375 8.645 5.263 1.00 0.00 C ATOM 369 OD1 ASP A 21 -1.495 7.403 5.332 1.00 0.00 O ATOM 370 OD2 ASP A 21 -1.034 9.337 6.241 1.00 0.00 O ATOM 0 H ASP A 21 -2.512 10.557 1.931 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.719 8.748 3.830 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.325 8.691 3.114 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.086 10.255 3.868 1.00 0.00 H new ATOM 375 N THR A 22 -3.950 10.228 5.864 1.00 0.00 N ATOM 376 CA THR A 22 -4.723 10.914 6.912 1.00 0.00 C ATOM 377 C THR A 22 -3.788 11.454 7.992 1.00 0.00 C ATOM 378 O THR A 22 -2.745 10.864 8.267 1.00 0.00 O ATOM 379 CB THR A 22 -5.804 9.963 7.543 1.00 0.00 C ATOM 380 OG1 THR A 22 -6.578 10.663 8.526 1.00 0.00 O ATOM 381 CG2 THR A 22 -5.200 8.709 8.194 1.00 0.00 C ATOM 0 H THR A 22 -3.654 9.293 6.144 1.00 0.00 H new ATOM 0 HA THR A 22 -5.247 11.750 6.450 1.00 0.00 H new ATOM 0 HB THR A 22 -6.436 9.639 6.716 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.698 11.594 8.245 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.998 8.095 8.610 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.655 8.136 7.444 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.517 9.005 8.990 1.00 0.00 H new ATOM 389 N ILE A 23 -4.203 12.557 8.624 1.00 0.00 N ATOM 390 CA ILE A 23 -3.366 13.324 9.556 1.00 0.00 C ATOM 391 C ILE A 23 -2.992 12.506 10.811 1.00 0.00 C ATOM 392 O ILE A 23 -1.881 12.643 11.338 1.00 0.00 O ATOM 393 CB ILE A 23 -4.089 14.648 9.987 1.00 0.00 C ATOM 394 CG1 ILE A 23 -4.446 15.529 8.738 1.00 0.00 C ATOM 395 CG2 ILE A 23 -3.258 15.444 11.024 1.00 0.00 C ATOM 396 CD1 ILE A 23 -3.294 15.774 7.775 1.00 0.00 C ATOM 0 H ILE A 23 -5.138 12.947 8.503 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.445 13.567 9.027 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.023 14.367 10.474 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.259 15.049 8.194 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.820 16.492 9.086 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.792 16.354 11.297 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.104 14.833 11.913 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.292 15.706 10.592 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.638 16.392 6.946 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.486 16.286 8.297 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.932 14.820 7.391 1.00 0.00 H new ATOM 408 N GLU A 24 -3.936 11.672 11.279 1.00 0.00 N ATOM 409 CA GLU A 24 -3.724 10.790 12.447 1.00 0.00 C ATOM 410 C GLU A 24 -2.567 9.795 12.186 1.00 0.00 C ATOM 411 O GLU A 24 -1.779 9.463 13.091 1.00 0.00 O ATOM 412 CB GLU A 24 -5.037 10.047 12.792 1.00 0.00 C ATOM 413 CG GLU A 24 -4.958 9.174 14.061 1.00 0.00 C ATOM 414 CD GLU A 24 -6.292 8.513 14.435 1.00 0.00 C ATOM 415 OE1 GLU A 24 -6.738 7.612 13.693 1.00 0.00 O ATOM 416 OE2 GLU A 24 -6.892 8.885 15.466 1.00 0.00 O ATOM 0 H GLU A 24 -4.864 11.588 10.863 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.440 11.402 13.303 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.833 10.781 12.919 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.316 9.416 11.948 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.207 8.398 13.912 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.620 9.789 14.895 1.00 0.00 H new ATOM 423 N ASN A 25 -2.454 9.365 10.924 1.00 0.00 N ATOM 424 CA ASN A 25 -1.374 8.471 10.482 1.00 0.00 C ATOM 425 C ASN A 25 -0.054 9.247 10.405 1.00 0.00 C ATOM 426 O ASN A 25 0.970 8.778 10.889 1.00 0.00 O ATOM 427 CB ASN A 25 -1.720 7.862 9.108 1.00 0.00 C ATOM 428 CG ASN A 25 -0.762 6.741 8.689 1.00 0.00 C ATOM 429 OD1 ASN A 25 -0.958 5.577 9.034 1.00 0.00 O ATOM 430 ND2 ASN A 25 0.256 7.074 7.918 1.00 0.00 N ATOM 0 H ASN A 25 -3.105 9.625 10.182 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.264 7.661 11.203 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.737 7.471 9.136 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.702 8.648 8.354 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.905 6.358 7.592 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.394 8.048 7.648 1.00 0.00 H new ATOM 437 N VAL A 26 -0.127 10.455 9.813 1.00 0.00 N ATOM 438 CA VAL A 26 1.033 11.369 9.635 1.00 0.00 C ATOM 439 C VAL A 26 1.716 11.680 10.984 1.00 0.00 C ATOM 440 O VAL A 26 2.936 11.639 11.083 1.00 0.00 O ATOM 441 CB VAL A 26 0.614 12.722 8.931 1.00 0.00 C ATOM 442 CG1 VAL A 26 1.818 13.693 8.744 1.00 0.00 C ATOM 443 CG2 VAL A 26 -0.073 12.445 7.579 1.00 0.00 C ATOM 0 H VAL A 26 -0.998 10.833 9.439 1.00 0.00 H new ATOM 0 HA VAL A 26 1.741 10.849 8.990 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.097 13.216 9.593 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.477 14.606 8.256 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.242 13.938 9.718 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.579 13.215 8.127 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.353 13.390 7.113 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.614 11.907 6.925 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.967 11.842 7.742 1.00 0.00 H new ATOM 453 N LYS A 27 0.908 11.952 12.026 1.00 0.00 N ATOM 454 CA LYS A 27 1.421 12.312 13.369 1.00 0.00 C ATOM 455 C LYS A 27 2.045 11.097 14.078 1.00 0.00 C ATOM 456 O LYS A 27 3.024 11.232 14.839 1.00 0.00 O ATOM 457 CB LYS A 27 0.305 12.955 14.226 1.00 0.00 C ATOM 458 CG LYS A 27 -0.877 12.057 14.612 1.00 0.00 C ATOM 459 CD LYS A 27 -1.971 12.835 15.374 1.00 0.00 C ATOM 460 CE LYS A 27 -2.601 13.956 14.531 1.00 0.00 C ATOM 461 NZ LYS A 27 -3.514 14.807 15.334 1.00 0.00 N ATOM 0 H LYS A 27 -0.110 11.930 11.966 1.00 0.00 H new ATOM 0 HA LYS A 27 2.213 13.050 13.239 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.757 13.334 15.143 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.086 13.816 13.684 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.306 11.616 13.712 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.520 11.234 15.231 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.751 12.142 15.689 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.541 13.265 16.279 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.812 14.574 14.102 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.152 13.518 13.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.151 15.328 14.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.075 14.208 15.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.956 15.482 15.895 1.00 0.00 H new ATOM 475 N ALA A 28 1.478 9.907 13.809 1.00 0.00 N ATOM 476 CA ALA A 28 2.082 8.628 14.222 1.00 0.00 C ATOM 477 C ALA A 28 3.450 8.408 13.532 1.00 0.00 C ATOM 478 O ALA A 28 4.318 7.720 14.078 1.00 0.00 O ATOM 479 CB ALA A 28 1.113 7.472 13.918 1.00 0.00 C ATOM 0 H ALA A 28 0.597 9.805 13.304 1.00 0.00 H new ATOM 0 HA ALA A 28 2.263 8.658 15.296 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.564 6.529 14.225 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.182 7.624 14.465 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.905 7.443 12.848 1.00 0.00 H new ATOM 485 N LYS A 29 3.634 9.014 12.332 1.00 0.00 N ATOM 486 CA LYS A 29 4.912 8.950 11.598 1.00 0.00 C ATOM 487 C LYS A 29 5.961 9.900 12.219 1.00 0.00 C ATOM 488 O LYS A 29 7.142 9.604 12.152 1.00 0.00 O ATOM 489 CB LYS A 29 4.749 9.262 10.085 1.00 0.00 C ATOM 490 CG LYS A 29 3.717 8.416 9.312 1.00 0.00 C ATOM 491 CD LYS A 29 3.921 6.870 9.408 1.00 0.00 C ATOM 492 CE LYS A 29 2.888 6.183 10.320 1.00 0.00 C ATOM 493 NZ LYS A 29 3.094 4.715 10.401 1.00 0.00 N ATOM 0 H LYS A 29 2.909 9.552 11.856 1.00 0.00 H new ATOM 0 HA LYS A 29 5.262 7.922 11.687 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.475 10.312 9.981 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.720 9.137 9.605 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.721 8.659 9.682 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.746 8.706 8.262 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.860 6.438 8.409 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.923 6.664 9.784 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.948 6.612 11.320 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.885 6.387 9.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.375 4.298 11.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.010 4.300 9.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.041 4.518 10.783 1.00 0.00 H new ATOM 507 N ILE A 30 5.530 11.057 12.785 1.00 0.00 N ATOM 508 CA ILE A 30 6.433 11.933 13.581 1.00 0.00 C ATOM 509 C ILE A 30 7.047 11.133 14.760 1.00 0.00 C ATOM 510 O ILE A 30 8.252 11.224 15.025 1.00 0.00 O ATOM 511 CB ILE A 30 5.700 13.254 14.094 1.00 0.00 C ATOM 512 CG1 ILE A 30 5.611 14.349 12.969 1.00 0.00 C ATOM 513 CG2 ILE A 30 6.364 13.849 15.361 1.00 0.00 C ATOM 514 CD1 ILE A 30 4.580 14.106 11.884 1.00 0.00 C ATOM 0 H ILE A 30 4.574 11.403 12.707 1.00 0.00 H new ATOM 0 HA ILE A 30 7.238 12.264 12.925 1.00 0.00 H new ATOM 0 HB ILE A 30 4.689 12.947 14.361 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.395 15.308 13.440 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.590 14.438 12.499 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.826 14.746 15.667 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.334 13.115 16.166 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.401 14.105 15.142 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.609 14.924 11.165 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.801 13.168 11.375 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.587 14.051 12.331 1.00 0.00 H new ATOM 526 N GLN A 31 6.201 10.326 15.428 1.00 0.00 N ATOM 527 CA GLN A 31 6.652 9.390 16.485 1.00 0.00 C ATOM 528 C GLN A 31 7.630 8.330 15.914 1.00 0.00 C ATOM 529 O GLN A 31 8.572 7.913 16.585 1.00 0.00 O ATOM 530 CB GLN A 31 5.428 8.692 17.132 1.00 0.00 C ATOM 531 CG GLN A 31 5.775 7.738 18.302 1.00 0.00 C ATOM 532 CD GLN A 31 4.594 6.896 18.801 1.00 0.00 C ATOM 533 OE1 GLN A 31 4.775 5.771 19.251 1.00 0.00 O ATOM 534 NE2 GLN A 31 3.385 7.432 18.744 1.00 0.00 N ATOM 0 H GLN A 31 5.196 10.301 15.256 1.00 0.00 H new ATOM 0 HA GLN A 31 7.182 9.964 17.245 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.740 9.456 17.495 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.900 8.127 16.364 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.575 7.069 17.985 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.163 8.327 19.133 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.261 8.371 18.365 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.578 6.906 19.079 1.00 0.00 H new ATOM 543 N ASP A 32 7.379 7.916 14.665 1.00 0.00 N ATOM 544 CA ASP A 32 8.226 6.945 13.927 1.00 0.00 C ATOM 545 C ASP A 32 9.599 7.554 13.550 1.00 0.00 C ATOM 546 O ASP A 32 10.574 6.816 13.377 1.00 0.00 O ATOM 547 CB ASP A 32 7.446 6.452 12.667 1.00 0.00 C ATOM 548 CG ASP A 32 8.257 5.601 11.666 1.00 0.00 C ATOM 549 OD1 ASP A 32 8.514 4.416 11.946 1.00 0.00 O ATOM 550 OD2 ASP A 32 8.625 6.116 10.587 1.00 0.00 O ATOM 0 H ASP A 32 6.577 8.243 14.126 1.00 0.00 H new ATOM 0 HA ASP A 32 8.440 6.092 14.572 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.588 5.868 13.000 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.055 7.323 12.141 1.00 0.00 H new ATOM 555 N LYS A 33 9.678 8.903 13.442 1.00 0.00 N ATOM 556 CA LYS A 33 10.922 9.591 13.019 1.00 0.00 C ATOM 557 C LYS A 33 11.694 10.186 14.216 1.00 0.00 C ATOM 558 O LYS A 33 12.771 9.687 14.564 1.00 0.00 O ATOM 559 CB LYS A 33 10.612 10.712 11.992 1.00 0.00 C ATOM 560 CG LYS A 33 9.865 10.255 10.724 1.00 0.00 C ATOM 561 CD LYS A 33 10.617 9.182 9.924 1.00 0.00 C ATOM 562 CE LYS A 33 9.766 8.598 8.788 1.00 0.00 C ATOM 563 NZ LYS A 33 10.439 7.439 8.159 1.00 0.00 N ATOM 0 H LYS A 33 8.900 9.532 13.641 1.00 0.00 H new ATOM 0 HA LYS A 33 11.553 8.836 12.551 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.018 11.481 12.486 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.551 11.178 11.693 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.887 9.866 11.008 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.691 11.119 10.083 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.527 9.614 9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.923 8.379 10.595 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.795 8.291 9.177 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.580 9.366 8.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.176 7.388 7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.470 7.549 8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.145 6.564 8.638 1.00 0.00 H new ATOM 577 N GLU A 34 11.142 11.250 14.857 1.00 0.00 N ATOM 578 CA GLU A 34 11.845 11.962 15.950 1.00 0.00 C ATOM 579 C GLU A 34 11.617 11.271 17.312 1.00 0.00 C ATOM 580 O GLU A 34 12.384 11.490 18.257 1.00 0.00 O ATOM 581 CB GLU A 34 11.454 13.469 16.011 1.00 0.00 C ATOM 582 CG GLU A 34 9.992 13.779 16.388 1.00 0.00 C ATOM 583 CD GLU A 34 9.735 15.293 16.600 1.00 0.00 C ATOM 584 OE1 GLU A 34 10.386 15.891 17.489 1.00 0.00 O ATOM 585 OE2 GLU A 34 8.892 15.882 15.897 1.00 0.00 O ATOM 0 H GLU A 34 10.221 11.628 14.636 1.00 0.00 H new ATOM 0 HA GLU A 34 12.911 11.914 15.726 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.106 13.963 16.732 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.659 13.916 15.038 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.333 13.410 15.602 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.734 13.240 17.300 1.00 0.00 H new ATOM 592 N GLY A 35 10.559 10.442 17.402 1.00 0.00 N ATOM 593 CA GLY A 35 10.307 9.614 18.588 1.00 0.00 C ATOM 594 C GLY A 35 9.405 10.292 19.607 1.00 0.00 C ATOM 595 O GLY A 35 9.367 9.887 20.775 1.00 0.00 O ATOM 0 H GLY A 35 9.865 10.331 16.662 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.852 8.674 18.277 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.258 9.367 19.060 1.00 0.00 H new ATOM 599 N ILE A 36 8.679 11.335 19.164 1.00 0.00 N ATOM 600 CA ILE A 36 7.767 12.112 20.023 1.00 0.00 C ATOM 601 C ILE A 36 6.297 11.685 19.743 1.00 0.00 C ATOM 602 O ILE A 36 5.858 11.722 18.586 1.00 0.00 O ATOM 603 CB ILE A 36 7.981 13.679 19.831 1.00 0.00 C ATOM 604 CG1 ILE A 36 9.240 14.196 20.626 1.00 0.00 C ATOM 605 CG2 ILE A 36 6.733 14.481 20.260 1.00 0.00 C ATOM 606 CD1 ILE A 36 10.596 13.704 20.143 1.00 0.00 C ATOM 0 H ILE A 36 8.709 11.663 18.199 1.00 0.00 H new ATOM 0 HA ILE A 36 7.994 11.897 21.067 1.00 0.00 H new ATOM 0 HB ILE A 36 8.151 13.840 18.766 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.241 15.286 20.593 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.125 13.909 21.671 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.917 15.545 20.115 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.878 14.175 19.657 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.521 14.290 21.312 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.381 14.128 20.769 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.631 12.616 20.204 1.00 0.00 H new ATOM 0 HD13 ILE A 36 10.749 14.014 19.109 1.00 0.00 H new ATOM 618 N PRO A 37 5.513 11.280 20.806 1.00 0.00 N ATOM 619 CA PRO A 37 4.131 10.743 20.641 1.00 0.00 C ATOM 620 C PRO A 37 3.119 11.849 20.242 1.00 0.00 C ATOM 621 O PRO A 37 3.381 13.026 20.514 1.00 0.00 O ATOM 622 CB PRO A 37 3.822 10.163 22.050 1.00 0.00 C ATOM 623 CG PRO A 37 4.610 11.025 22.990 1.00 0.00 C ATOM 624 CD PRO A 37 5.896 11.353 22.252 1.00 0.00 C ATOM 0 HA PRO A 37 4.052 10.006 19.841 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.756 10.205 22.272 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.122 9.118 22.124 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.061 11.931 23.246 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.815 10.502 23.924 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.267 12.343 22.517 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.686 10.642 22.492 1.00 0.00 H new ATOM 632 N PRO A 38 1.927 11.486 19.634 1.00 0.00 N ATOM 633 CA PRO A 38 0.894 12.470 19.188 1.00 0.00 C ATOM 634 C PRO A 38 0.351 13.362 20.330 1.00 0.00 C ATOM 635 O PRO A 38 -0.289 14.390 20.074 1.00 0.00 O ATOM 636 CB PRO A 38 -0.222 11.582 18.568 1.00 0.00 C ATOM 637 CG PRO A 38 -0.001 10.226 19.165 1.00 0.00 C ATOM 638 CD PRO A 38 1.494 10.095 19.326 1.00 0.00 C ATOM 0 HA PRO A 38 1.311 13.191 18.484 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.213 11.965 18.810 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.148 11.553 17.481 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.509 10.132 20.125 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.396 9.443 18.518 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.753 9.405 20.129 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.965 9.718 18.418 1.00 0.00 H new ATOM 646 N ASP A 39 0.619 12.940 21.578 1.00 0.00 N ATOM 647 CA ASP A 39 0.292 13.693 22.796 1.00 0.00 C ATOM 648 C ASP A 39 1.183 14.955 22.914 1.00 0.00 C ATOM 649 O ASP A 39 0.687 16.042 23.203 1.00 0.00 O ATOM 650 CB ASP A 39 0.483 12.765 24.026 1.00 0.00 C ATOM 651 CG ASP A 39 -0.002 13.374 25.353 1.00 0.00 C ATOM 652 OD1 ASP A 39 -1.218 13.347 25.617 1.00 0.00 O ATOM 653 OD2 ASP A 39 0.827 13.850 26.151 1.00 0.00 O ATOM 0 H ASP A 39 1.078 12.049 21.769 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.745 14.026 22.752 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.052 11.832 23.850 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.540 12.515 24.118 1.00 0.00 H new ATOM 658 N GLN A 40 2.497 14.784 22.655 1.00 0.00 N ATOM 659 CA GLN A 40 3.519 15.859 22.805 1.00 0.00 C ATOM 660 C GLN A 40 3.641 16.714 21.540 1.00 0.00 C ATOM 661 O GLN A 40 3.928 17.901 21.621 1.00 0.00 O ATOM 662 CB GLN A 40 4.907 15.240 23.201 1.00 0.00 C ATOM 663 CG GLN A 40 5.184 15.159 24.714 1.00 0.00 C ATOM 664 CD GLN A 40 3.970 14.707 25.514 1.00 0.00 C ATOM 665 OE1 GLN A 40 3.175 15.532 25.939 1.00 0.00 O ATOM 666 NE2 GLN A 40 3.806 13.414 25.703 1.00 0.00 N ATOM 0 H GLN A 40 2.887 13.897 22.335 1.00 0.00 H new ATOM 0 HA GLN A 40 3.189 16.521 23.606 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.971 14.236 22.782 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.696 15.830 22.735 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.008 14.468 24.891 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.506 16.137 25.072 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.490 12.754 25.334 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.995 13.073 26.219 1.00 0.00 H new ATOM 675 N GLN A 41 3.444 16.101 20.381 1.00 0.00 N ATOM 676 CA GLN A 41 3.545 16.799 19.083 1.00 0.00 C ATOM 677 C GLN A 41 2.161 17.287 18.628 1.00 0.00 C ATOM 678 O GLN A 41 1.139 16.689 18.987 1.00 0.00 O ATOM 679 CB GLN A 41 4.239 15.884 18.034 1.00 0.00 C ATOM 680 CG GLN A 41 3.563 14.530 17.738 1.00 0.00 C ATOM 681 CD GLN A 41 2.582 14.569 16.573 1.00 0.00 C ATOM 682 OE1 GLN A 41 2.970 14.363 15.433 1.00 0.00 O ATOM 683 NE2 GLN A 41 1.309 14.808 16.850 1.00 0.00 N ATOM 0 H GLN A 41 3.210 15.111 20.301 1.00 0.00 H new ATOM 0 HA GLN A 41 4.169 17.686 19.193 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.316 16.437 17.098 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.256 15.689 18.373 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.334 13.789 17.526 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.037 14.195 18.632 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.020 14.976 17.814 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.618 14.824 16.100 1.00 0.00 H new ATOM 692 N ARG A 42 2.132 18.398 17.867 1.00 0.00 N ATOM 693 CA ARG A 42 0.889 18.993 17.358 1.00 0.00 C ATOM 694 C ARG A 42 1.102 19.482 15.917 1.00 0.00 C ATOM 695 O ARG A 42 2.054 20.219 15.643 1.00 0.00 O ATOM 696 CB ARG A 42 0.474 20.157 18.291 1.00 0.00 C ATOM 697 CG ARG A 42 -0.998 20.591 18.192 1.00 0.00 C ATOM 698 CD ARG A 42 -1.348 21.618 19.280 1.00 0.00 C ATOM 699 NE ARG A 42 -2.803 21.772 19.458 1.00 0.00 N ATOM 700 CZ ARG A 42 -3.400 22.432 20.467 1.00 0.00 C ATOM 701 NH1 ARG A 42 -2.691 23.127 21.355 1.00 0.00 N ATOM 702 NH2 ARG A 42 -4.717 22.408 20.563 1.00 0.00 N ATOM 0 H ARG A 42 2.972 18.906 17.590 1.00 0.00 H new ATOM 0 HA ARG A 42 0.090 18.252 17.346 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.680 19.866 19.321 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.104 21.019 18.071 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.188 21.020 17.208 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.645 19.719 18.290 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.899 21.310 20.225 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.912 22.583 19.019 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.408 21.342 18.758 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.675 23.166 21.278 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.164 23.620 22.112 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.269 21.893 19.877 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.182 22.904 21.323 1.00 0.00 H new ATOM 716 N LEU A 43 0.191 19.094 15.016 1.00 0.00 N ATOM 717 CA LEU A 43 0.313 19.356 13.569 1.00 0.00 C ATOM 718 C LEU A 43 -0.412 20.647 13.218 1.00 0.00 C ATOM 719 O LEU A 43 -1.598 20.779 13.509 1.00 0.00 O ATOM 720 CB LEU A 43 -0.271 18.166 12.738 1.00 0.00 C ATOM 721 CG LEU A 43 0.690 16.969 12.481 1.00 0.00 C ATOM 722 CD1 LEU A 43 1.915 17.420 11.662 1.00 0.00 C ATOM 723 CD2 LEU A 43 1.107 16.307 13.798 1.00 0.00 C ATOM 0 H LEU A 43 -0.657 18.587 15.267 1.00 0.00 H new ATOM 0 HA LEU A 43 1.370 19.458 13.321 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.155 17.791 13.253 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.603 18.552 11.774 1.00 0.00 H new ATOM 0 HG LEU A 43 0.156 16.221 11.895 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.574 16.568 11.494 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.585 17.818 10.703 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.454 18.193 12.210 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.778 15.474 13.590 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.618 17.037 14.426 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.222 15.939 14.316 1.00 0.00 H new ATOM 735 N ILE A 44 0.327 21.598 12.616 1.00 0.00 N ATOM 736 CA ILE A 44 -0.198 22.908 12.196 1.00 0.00 C ATOM 737 C ILE A 44 0.432 23.313 10.852 1.00 0.00 C ATOM 738 O ILE A 44 1.654 23.416 10.739 1.00 0.00 O ATOM 739 CB ILE A 44 0.071 24.018 13.294 1.00 0.00 C ATOM 740 CG1 ILE A 44 -0.739 23.693 14.594 1.00 0.00 C ATOM 741 CG2 ILE A 44 -0.255 25.453 12.780 1.00 0.00 C ATOM 742 CD1 ILE A 44 -0.407 24.541 15.787 1.00 0.00 C ATOM 0 H ILE A 44 1.317 21.475 12.406 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.278 22.822 12.075 1.00 0.00 H new ATOM 0 HB ILE A 44 1.137 24.003 13.523 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.802 23.801 14.377 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.572 22.648 14.854 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.054 26.177 13.570 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.367 25.679 11.914 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.306 25.508 12.497 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.022 24.235 16.633 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.646 24.416 16.040 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.603 25.588 15.555 1.00 0.00 H new ATOM 754 N PHE A 45 -0.424 23.541 9.845 1.00 0.00 N ATOM 755 CA PHE A 45 -0.022 24.023 8.512 1.00 0.00 C ATOM 756 C PHE A 45 -0.721 25.362 8.269 1.00 0.00 C ATOM 757 O PHE A 45 -1.943 25.430 8.372 1.00 0.00 O ATOM 758 CB PHE A 45 -0.424 22.977 7.437 1.00 0.00 C ATOM 759 CG PHE A 45 -0.101 23.339 5.977 1.00 0.00 C ATOM 760 CD1 PHE A 45 1.203 23.253 5.488 1.00 0.00 C ATOM 761 CD2 PHE A 45 -1.105 23.730 5.087 1.00 0.00 C ATOM 762 CE1 PHE A 45 1.496 23.546 4.169 1.00 0.00 C ATOM 763 CE2 PHE A 45 -0.810 24.018 3.767 1.00 0.00 C ATOM 764 CZ PHE A 45 0.489 23.924 3.309 1.00 0.00 C ATOM 0 H PHE A 45 -1.430 23.394 9.933 1.00 0.00 H new ATOM 0 HA PHE A 45 1.058 24.160 8.453 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.072 22.036 7.674 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.497 22.801 7.516 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.999 22.952 6.153 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.125 23.808 5.435 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.514 23.479 3.813 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.598 24.317 3.092 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.715 24.147 2.277 1.00 0.00 H new ATOM 774 N ALA A 46 0.069 26.423 8.030 1.00 0.00 N ATOM 775 CA ALA A 46 -0.430 27.765 7.636 1.00 0.00 C ATOM 776 C ALA A 46 -1.251 28.468 8.744 1.00 0.00 C ATOM 777 O ALA A 46 -1.975 29.436 8.469 1.00 0.00 O ATOM 778 CB ALA A 46 -1.231 27.674 6.324 1.00 0.00 C ATOM 0 H ALA A 46 1.085 26.379 8.104 1.00 0.00 H new ATOM 0 HA ALA A 46 0.449 28.390 7.477 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.590 28.665 6.048 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.590 27.287 5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.081 27.005 6.462 1.00 0.00 H new ATOM 784 N GLY A 47 -1.109 27.997 9.993 1.00 0.00 N ATOM 785 CA GLY A 47 -1.783 28.610 11.141 1.00 0.00 C ATOM 786 C GLY A 47 -3.099 27.933 11.523 1.00 0.00 C ATOM 787 O GLY A 47 -3.892 28.505 12.281 1.00 0.00 O ATOM 0 H GLY A 47 -0.531 27.191 10.231 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.111 28.586 11.999 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.977 29.659 10.918 1.00 0.00 H new ATOM 791 N LYS A 48 -3.351 26.724 10.994 1.00 0.00 N ATOM 792 CA LYS A 48 -4.515 25.898 11.401 1.00 0.00 C ATOM 793 C LYS A 48 -4.019 24.523 11.870 1.00 0.00 C ATOM 794 O LYS A 48 -3.084 23.962 11.277 1.00 0.00 O ATOM 795 CB LYS A 48 -5.524 25.765 10.220 1.00 0.00 C ATOM 796 CG LYS A 48 -5.050 24.876 9.025 1.00 0.00 C ATOM 797 CD LYS A 48 -5.422 25.446 7.637 1.00 0.00 C ATOM 798 CE LYS A 48 -4.722 26.782 7.361 1.00 0.00 C ATOM 799 NZ LYS A 48 -5.056 27.318 6.024 1.00 0.00 N ATOM 0 H LYS A 48 -2.765 26.290 10.280 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.038 26.381 12.227 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.457 25.355 10.607 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.747 26.763 9.842 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.968 24.756 9.080 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.486 23.882 9.128 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.149 24.727 6.864 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.502 25.583 7.578 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.009 27.506 8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.643 26.648 7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.562 28.221 5.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.759 26.640 5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.083 27.470 5.958 1.00 0.00 H new ATOM 813 N GLN A 49 -4.620 23.998 12.959 1.00 0.00 N ATOM 814 CA GLN A 49 -4.301 22.649 13.446 1.00 0.00 C ATOM 815 C GLN A 49 -4.945 21.607 12.523 1.00 0.00 C ATOM 816 O GLN A 49 -6.131 21.709 12.182 1.00 0.00 O ATOM 817 CB GLN A 49 -4.762 22.413 14.914 1.00 0.00 C ATOM 818 CG GLN A 49 -4.426 20.990 15.439 1.00 0.00 C ATOM 819 CD GLN A 49 -4.901 20.689 16.862 1.00 0.00 C ATOM 820 OE1 GLN A 49 -5.886 21.235 17.340 1.00 0.00 O ATOM 821 NE2 GLN A 49 -4.215 19.778 17.543 1.00 0.00 N ATOM 0 H GLN A 49 -5.324 24.488 13.511 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.216 22.548 13.435 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.289 23.153 15.560 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.838 22.573 14.980 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.868 20.258 14.763 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.346 20.851 15.397 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.397 19.337 17.123 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.506 19.520 18.486 1.00 0.00 H new ATOM 830 N LEU A 50 -4.148 20.614 12.124 1.00 0.00 N ATOM 831 CA LEU A 50 -4.593 19.549 11.239 1.00 0.00 C ATOM 832 C LEU A 50 -5.417 18.512 12.032 1.00 0.00 C ATOM 833 O LEU A 50 -4.907 17.899 12.983 1.00 0.00 O ATOM 834 CB LEU A 50 -3.375 18.896 10.560 1.00 0.00 C ATOM 835 CG LEU A 50 -2.345 19.865 9.899 1.00 0.00 C ATOM 836 CD1 LEU A 50 -1.237 19.072 9.188 1.00 0.00 C ATOM 837 CD2 LEU A 50 -3.032 20.874 8.951 1.00 0.00 C ATOM 0 H LEU A 50 -3.172 20.530 12.410 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.235 19.964 10.462 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.851 18.296 11.304 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.738 18.210 9.795 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.880 20.452 10.691 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.529 19.764 8.733 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.717 18.444 9.912 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.678 18.444 8.414 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.281 21.530 8.512 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.550 20.334 8.159 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.750 21.471 9.513 1.00 0.00 H new ATOM 849 N GLU A 51 -6.689 18.352 11.638 1.00 0.00 N ATOM 850 CA GLU A 51 -7.637 17.429 12.277 1.00 0.00 C ATOM 851 C GLU A 51 -7.316 15.972 11.883 1.00 0.00 C ATOM 852 O GLU A 51 -7.073 15.693 10.708 1.00 0.00 O ATOM 853 CB GLU A 51 -9.073 17.826 11.847 1.00 0.00 C ATOM 854 CG GLU A 51 -10.197 16.898 12.349 1.00 0.00 C ATOM 855 CD GLU A 51 -11.602 17.420 12.004 1.00 0.00 C ATOM 856 OE1 GLU A 51 -12.102 17.155 10.894 1.00 0.00 O ATOM 857 OE2 GLU A 51 -12.207 18.119 12.846 1.00 0.00 O ATOM 0 H GLU A 51 -7.093 18.867 10.856 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.555 17.496 13.362 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.274 18.836 12.203 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.112 17.858 10.758 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.066 15.908 11.913 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.112 16.784 13.430 1.00 0.00 H new ATOM 864 N ASP A 52 -7.399 15.064 12.876 1.00 0.00 N ATOM 865 CA ASP A 52 -6.979 13.646 12.766 1.00 0.00 C ATOM 866 C ASP A 52 -7.705 12.914 11.625 1.00 0.00 C ATOM 867 O ASP A 52 -7.076 12.186 10.846 1.00 0.00 O ATOM 868 CB ASP A 52 -7.255 12.913 14.110 1.00 0.00 C ATOM 869 CG ASP A 52 -6.426 13.467 15.279 1.00 0.00 C ATOM 870 OD1 ASP A 52 -6.638 14.636 15.675 1.00 0.00 O ATOM 871 OD2 ASP A 52 -5.528 12.761 15.784 1.00 0.00 O ATOM 0 H ASP A 52 -7.767 15.298 13.798 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.912 13.636 12.542 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.315 12.997 14.352 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.038 11.852 13.989 1.00 0.00 H new ATOM 876 N GLY A 53 -9.029 13.142 11.556 1.00 0.00 N ATOM 877 CA GLY A 53 -9.907 12.489 10.585 1.00 0.00 C ATOM 878 C GLY A 53 -9.654 12.917 9.143 1.00 0.00 C ATOM 879 O GLY A 53 -9.899 12.141 8.208 1.00 0.00 O ATOM 0 H GLY A 53 -9.516 13.788 12.177 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.779 11.409 10.662 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.944 12.706 10.842 1.00 0.00 H new ATOM 883 N ARG A 54 -9.159 14.157 8.964 1.00 0.00 N ATOM 884 CA ARG A 54 -8.899 14.737 7.630 1.00 0.00 C ATOM 885 C ARG A 54 -7.604 14.192 7.014 1.00 0.00 C ATOM 886 O ARG A 54 -6.867 13.442 7.656 1.00 0.00 O ATOM 887 CB ARG A 54 -8.856 16.282 7.723 1.00 0.00 C ATOM 888 CG ARG A 54 -10.202 16.909 8.134 1.00 0.00 C ATOM 889 CD ARG A 54 -10.174 18.440 8.111 1.00 0.00 C ATOM 890 NE ARG A 54 -11.481 19.035 8.444 1.00 0.00 N ATOM 891 CZ ARG A 54 -12.231 19.777 7.607 1.00 0.00 C ATOM 892 NH1 ARG A 54 -11.896 19.917 6.333 1.00 0.00 N ATOM 893 NH2 ARG A 54 -13.335 20.349 8.038 1.00 0.00 N ATOM 0 H ARG A 54 -8.929 14.783 9.736 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.716 14.443 6.971 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.093 16.574 8.444 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.554 16.688 6.758 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.983 16.554 7.462 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.465 16.570 9.136 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.425 18.797 8.818 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.866 18.779 7.122 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.846 18.872 9.382 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.059 19.459 5.973 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.475 20.483 5.713 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.625 20.231 9.009 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.901 20.910 7.401 1.00 0.00 H new ATOM 907 N THR A 55 -7.339 14.587 5.763 1.00 0.00 N ATOM 908 CA THR A 55 -6.157 14.141 5.002 1.00 0.00 C ATOM 909 C THR A 55 -5.252 15.336 4.707 1.00 0.00 C ATOM 910 O THR A 55 -5.674 16.497 4.859 1.00 0.00 O ATOM 911 CB THR A 55 -6.559 13.425 3.662 1.00 0.00 C ATOM 912 OG1 THR A 55 -7.489 14.236 2.923 1.00 0.00 O ATOM 913 CG2 THR A 55 -7.162 12.030 3.906 1.00 0.00 C ATOM 0 H THR A 55 -7.939 15.228 5.244 1.00 0.00 H new ATOM 0 HA THR A 55 -5.621 13.415 5.613 1.00 0.00 H new ATOM 0 HB THR A 55 -5.646 13.293 3.082 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.730 13.780 2.090 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.424 11.575 2.951 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.433 11.403 4.419 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.057 12.123 4.521 1.00 0.00 H new ATOM 921 N LEU A 56 -4.003 15.044 4.296 1.00 0.00 N ATOM 922 CA LEU A 56 -3.022 16.078 3.929 1.00 0.00 C ATOM 923 C LEU A 56 -3.595 17.002 2.829 1.00 0.00 C ATOM 924 O LEU A 56 -3.739 18.206 3.043 1.00 0.00 O ATOM 925 CB LEU A 56 -1.685 15.419 3.477 1.00 0.00 C ATOM 926 CG LEU A 56 -0.851 14.734 4.613 1.00 0.00 C ATOM 927 CD1 LEU A 56 0.322 13.914 4.040 1.00 0.00 C ATOM 928 CD2 LEU A 56 -0.335 15.767 5.648 1.00 0.00 C ATOM 0 H LEU A 56 -3.649 14.091 4.210 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.814 16.693 4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.908 14.673 2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.066 16.182 3.006 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.524 14.049 5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.878 13.454 4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.065 13.137 3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.984 14.571 3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.239 15.254 6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.302 16.497 5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.182 16.278 6.105 1.00 0.00 H new ATOM 940 N SER A 57 -4.008 16.392 1.701 1.00 0.00 N ATOM 941 CA SER A 57 -4.539 17.106 0.517 1.00 0.00 C ATOM 942 C SER A 57 -5.825 17.888 0.842 1.00 0.00 C ATOM 943 O SER A 57 -6.171 18.838 0.129 1.00 0.00 O ATOM 944 CB SER A 57 -4.827 16.107 -0.624 1.00 0.00 C ATOM 945 OG SER A 57 -5.254 16.765 -1.814 1.00 0.00 O ATOM 0 H SER A 57 -3.983 15.379 1.582 1.00 0.00 H new ATOM 0 HA SER A 57 -3.777 17.820 0.205 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.928 15.526 -0.833 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.594 15.402 -0.304 1.00 0.00 H new ATOM 0 HG SER A 57 -5.425 16.099 -2.513 1.00 0.00 H new ATOM 951 N ASP A 58 -6.527 17.482 1.919 1.00 0.00 N ATOM 952 CA ASP A 58 -7.751 18.163 2.376 1.00 0.00 C ATOM 953 C ASP A 58 -7.404 19.551 2.941 1.00 0.00 C ATOM 954 O ASP A 58 -8.125 20.529 2.713 1.00 0.00 O ATOM 955 CB ASP A 58 -8.473 17.294 3.430 1.00 0.00 C ATOM 956 CG ASP A 58 -9.775 17.918 3.934 1.00 0.00 C ATOM 957 OD1 ASP A 58 -10.838 17.691 3.323 1.00 0.00 O ATOM 958 OD2 ASP A 58 -9.738 18.642 4.937 1.00 0.00 O ATOM 0 H ASP A 58 -6.263 16.680 2.491 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.425 18.303 1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.689 16.316 2.999 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.805 17.130 4.276 1.00 0.00 H new ATOM 963 N TYR A 59 -6.273 19.620 3.670 1.00 0.00 N ATOM 964 CA TYR A 59 -5.705 20.890 4.159 1.00 0.00 C ATOM 965 C TYR A 59 -4.766 21.531 3.105 1.00 0.00 C ATOM 966 O TYR A 59 -4.020 22.462 3.430 1.00 0.00 O ATOM 967 CB TYR A 59 -4.954 20.654 5.495 1.00 0.00 C ATOM 968 CG TYR A 59 -5.858 20.642 6.726 1.00 0.00 C ATOM 969 CD1 TYR A 59 -6.428 21.829 7.193 1.00 0.00 C ATOM 970 CD2 TYR A 59 -6.123 19.471 7.436 1.00 0.00 C ATOM 971 CE1 TYR A 59 -7.225 21.852 8.313 1.00 0.00 C ATOM 972 CE2 TYR A 59 -6.925 19.495 8.557 1.00 0.00 C ATOM 973 CZ TYR A 59 -7.473 20.691 8.993 1.00 0.00 C ATOM 974 OH TYR A 59 -8.262 20.724 10.126 1.00 0.00 O ATOM 0 H TYR A 59 -5.729 18.799 3.935 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.524 21.587 4.333 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.424 19.703 5.438 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.201 21.432 5.618 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.238 22.750 6.662 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.696 18.536 7.104 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.654 22.783 8.655 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.126 18.581 9.096 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.725 21.023 10.890 1.00 0.00 H new ATOM 984 N ASN A 60 -4.831 21.020 1.852 1.00 0.00 N ATOM 985 CA ASN A 60 -4.066 21.530 0.685 1.00 0.00 C ATOM 986 C ASN A 60 -2.549 21.276 0.841 1.00 0.00 C ATOM 987 O ASN A 60 -1.720 21.954 0.232 1.00 0.00 O ATOM 988 CB ASN A 60 -4.397 23.030 0.420 1.00 0.00 C ATOM 989 CG ASN A 60 -5.892 23.269 0.146 1.00 0.00 C ATOM 990 OD1 ASN A 60 -6.338 23.269 -1.000 1.00 0.00 O ATOM 991 ND2 ASN A 60 -6.680 23.448 1.202 1.00 0.00 N ATOM 0 H ASN A 60 -5.428 20.226 1.618 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.379 20.970 -0.197 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.090 23.623 1.282 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.815 23.381 -0.432 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.682 23.590 1.073 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.283 23.443 2.141 1.00 0.00 H new ATOM 998 N ILE A 61 -2.220 20.242 1.634 1.00 0.00 N ATOM 999 CA ILE A 61 -0.844 19.763 1.849 1.00 0.00 C ATOM 1000 C ILE A 61 -0.539 18.672 0.807 1.00 0.00 C ATOM 1001 O ILE A 61 -1.144 17.590 0.820 1.00 0.00 O ATOM 1002 CB ILE A 61 -0.677 19.157 3.291 1.00 0.00 C ATOM 1003 CG1 ILE A 61 -1.233 20.134 4.367 1.00 0.00 C ATOM 1004 CG2 ILE A 61 0.797 18.766 3.594 1.00 0.00 C ATOM 1005 CD1 ILE A 61 -1.550 19.483 5.697 1.00 0.00 C ATOM 0 H ILE A 61 -2.916 19.706 2.153 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.156 20.602 1.747 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.262 18.238 3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.505 20.929 4.529 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.138 20.604 3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.864 18.352 4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.132 18.021 2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.430 19.650 3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.932 20.234 6.388 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.302 18.707 5.552 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.644 19.038 6.109 1.00 0.00 H new ATOM 1017 N GLN A 62 0.374 18.979 -0.095 1.00 0.00 N ATOM 1018 CA GLN A 62 0.846 18.043 -1.123 1.00 0.00 C ATOM 1019 C GLN A 62 2.211 17.473 -0.693 1.00 0.00 C ATOM 1020 O GLN A 62 2.676 17.735 0.430 1.00 0.00 O ATOM 1021 CB GLN A 62 0.967 18.783 -2.481 1.00 0.00 C ATOM 1022 CG GLN A 62 1.968 19.961 -2.470 1.00 0.00 C ATOM 1023 CD GLN A 62 2.360 20.437 -3.859 1.00 0.00 C ATOM 1024 OE1 GLN A 62 1.717 21.312 -4.440 1.00 0.00 O ATOM 1025 NE2 GLN A 62 3.425 19.861 -4.404 1.00 0.00 N ATOM 0 H GLN A 62 0.820 19.895 -0.143 1.00 0.00 H new ATOM 0 HA GLN A 62 0.138 17.222 -1.238 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.271 18.069 -3.246 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.016 19.158 -2.767 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.531 20.794 -1.919 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.866 19.659 -1.931 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.933 19.139 -3.892 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.736 20.140 -5.335 1.00 0.00 H new ATOM 1034 N LYS A 63 2.860 16.709 -1.596 1.00 0.00 N ATOM 1035 CA LYS A 63 4.224 16.203 -1.369 1.00 0.00 C ATOM 1036 C LYS A 63 5.196 17.390 -1.219 1.00 0.00 C ATOM 1037 O LYS A 63 5.034 18.422 -1.892 1.00 0.00 O ATOM 1038 CB LYS A 63 4.673 15.261 -2.523 1.00 0.00 C ATOM 1039 CG LYS A 63 4.933 15.954 -3.881 1.00 0.00 C ATOM 1040 CD LYS A 63 5.158 14.962 -5.044 1.00 0.00 C ATOM 1041 CE LYS A 63 6.367 14.035 -4.846 1.00 0.00 C ATOM 1042 NZ LYS A 63 6.489 13.057 -5.961 1.00 0.00 N ATOM 0 H LYS A 63 2.457 16.430 -2.491 1.00 0.00 H new ATOM 0 HA LYS A 63 4.232 15.618 -0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.584 14.747 -2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.908 14.497 -2.664 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.086 16.597 -4.120 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.807 16.599 -3.790 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.262 14.353 -5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.291 15.525 -5.968 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.278 14.631 -4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.267 13.501 -3.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.494 12.903 -6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.054 12.155 -5.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.005 13.428 -6.803 1.00 0.00 H new ATOM 1056 N GLU A 64 6.142 17.246 -0.279 1.00 0.00 N ATOM 1057 CA GLU A 64 7.213 18.226 -0.003 1.00 0.00 C ATOM 1058 C GLU A 64 6.699 19.522 0.660 1.00 0.00 C ATOM 1059 O GLU A 64 7.500 20.436 0.903 1.00 0.00 O ATOM 1060 CB GLU A 64 8.029 18.535 -1.290 1.00 0.00 C ATOM 1061 CG GLU A 64 8.716 17.305 -1.923 1.00 0.00 C ATOM 1062 CD GLU A 64 9.276 17.608 -3.318 1.00 0.00 C ATOM 1063 OE1 GLU A 64 10.334 18.263 -3.415 1.00 0.00 O ATOM 1064 OE2 GLU A 64 8.635 17.236 -4.327 1.00 0.00 O ATOM 0 H GLU A 64 6.188 16.427 0.327 1.00 0.00 H new ATOM 0 HA GLU A 64 7.876 17.759 0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.364 18.984 -2.028 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.790 19.279 -1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.525 16.969 -1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.000 16.486 -1.991 1.00 0.00 H new ATOM 1071 N SER A 65 5.379 19.601 0.974 1.00 0.00 N ATOM 1072 CA SER A 65 4.822 20.749 1.709 1.00 0.00 C ATOM 1073 C SER A 65 5.417 20.801 3.124 1.00 0.00 C ATOM 1074 O SER A 65 5.458 19.780 3.833 1.00 0.00 O ATOM 1075 CB SER A 65 3.286 20.673 1.785 1.00 0.00 C ATOM 1076 OG SER A 65 2.699 20.733 0.501 1.00 0.00 O ATOM 0 H SER A 65 4.693 18.887 0.729 1.00 0.00 H new ATOM 0 HA SER A 65 5.087 21.658 1.170 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.991 19.747 2.278 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.910 21.493 2.396 1.00 0.00 H new ATOM 0 HG SER A 65 1.990 21.409 0.497 1.00 0.00 H new ATOM 1082 N THR A 66 5.907 21.987 3.507 1.00 0.00 N ATOM 1083 CA THR A 66 6.530 22.206 4.807 1.00 0.00 C ATOM 1084 C THR A 66 5.523 22.863 5.761 1.00 0.00 C ATOM 1085 O THR A 66 4.866 23.844 5.408 1.00 0.00 O ATOM 1086 CB THR A 66 7.817 23.074 4.685 1.00 0.00 C ATOM 1087 OG1 THR A 66 8.659 22.530 3.651 1.00 0.00 O ATOM 1088 CG2 THR A 66 8.607 23.120 6.014 1.00 0.00 C ATOM 0 H THR A 66 5.880 22.820 2.919 1.00 0.00 H new ATOM 0 HA THR A 66 6.828 21.238 5.211 1.00 0.00 H new ATOM 0 HB THR A 66 7.515 24.092 4.438 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.470 23.074 3.569 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.498 23.735 5.887 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.979 23.547 6.796 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.902 22.110 6.297 1.00 0.00 H new ATOM 1096 N LEU A 67 5.413 22.299 6.963 1.00 0.00 N ATOM 1097 CA LEU A 67 4.492 22.757 8.001 1.00 0.00 C ATOM 1098 C LEU A 67 5.212 22.832 9.346 1.00 0.00 C ATOM 1099 O LEU A 67 6.380 22.469 9.454 1.00 0.00 O ATOM 1100 CB LEU A 67 3.231 21.849 8.090 1.00 0.00 C ATOM 1101 CG LEU A 67 3.455 20.303 8.212 1.00 0.00 C ATOM 1102 CD1 LEU A 67 2.226 19.625 8.838 1.00 0.00 C ATOM 1103 CD2 LEU A 67 3.777 19.650 6.840 1.00 0.00 C ATOM 0 H LEU A 67 5.973 21.495 7.248 1.00 0.00 H new ATOM 0 HA LEU A 67 4.148 23.756 7.733 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.645 22.172 8.950 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.623 22.031 7.204 1.00 0.00 H new ATOM 0 HG LEU A 67 4.318 20.156 8.862 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.402 18.552 8.914 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.051 20.035 9.833 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.352 19.806 8.212 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.925 18.578 6.973 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.948 19.820 6.153 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.685 20.093 6.430 1.00 0.00 H new ATOM 1115 N HIS A 68 4.503 23.355 10.351 1.00 0.00 N ATOM 1116 CA HIS A 68 5.022 23.507 11.719 1.00 0.00 C ATOM 1117 C HIS A 68 4.548 22.362 12.627 1.00 0.00 C ATOM 1118 O HIS A 68 3.444 21.821 12.462 1.00 0.00 O ATOM 1119 CB HIS A 68 4.594 24.871 12.303 1.00 0.00 C ATOM 1120 CG HIS A 68 5.175 26.043 11.557 1.00 0.00 C ATOM 1121 ND1 HIS A 68 4.533 26.668 10.514 1.00 0.00 N ATOM 1122 CD2 HIS A 68 6.354 26.691 11.708 1.00 0.00 C ATOM 1123 CE1 HIS A 68 5.287 27.646 10.057 1.00 0.00 C ATOM 1124 NE2 HIS A 68 6.398 27.681 10.762 1.00 0.00 N ATOM 0 H HIS A 68 3.545 23.688 10.240 1.00 0.00 H new ATOM 0 HA HIS A 68 6.110 23.467 11.673 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.506 24.941 12.287 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.901 24.925 13.347 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.118 26.469 12.438 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.036 28.308 9.241 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.166 28.338 10.626 1.00 0.00 H new ATOM 1133 N LEU A 69 5.409 22.022 13.589 1.00 0.00 N ATOM 1134 CA LEU A 69 5.169 20.992 14.593 1.00 0.00 C ATOM 1135 C LEU A 69 5.421 21.636 15.951 1.00 0.00 C ATOM 1136 O LEU A 69 6.453 22.285 16.159 1.00 0.00 O ATOM 1137 CB LEU A 69 6.124 19.787 14.338 1.00 0.00 C ATOM 1138 CG LEU A 69 5.824 18.415 15.048 1.00 0.00 C ATOM 1139 CD1 LEU A 69 6.115 18.453 16.556 1.00 0.00 C ATOM 1140 CD2 LEU A 69 4.383 17.935 14.761 1.00 0.00 C ATOM 0 H LEU A 69 6.319 22.472 13.691 1.00 0.00 H new ATOM 0 HA LEU A 69 4.150 20.607 14.551 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.144 19.604 13.264 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.128 20.095 14.628 1.00 0.00 H new ATOM 0 HG LEU A 69 6.511 17.686 14.619 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.890 17.481 16.995 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.167 18.690 16.718 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.495 19.215 17.027 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.209 16.985 15.266 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.673 18.676 15.127 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.250 17.805 13.687 1.00 0.00 H new ATOM 1152 N VAL A 70 4.475 21.457 16.866 1.00 0.00 N ATOM 1153 CA VAL A 70 4.551 22.012 18.213 1.00 0.00 C ATOM 1154 C VAL A 70 4.799 20.894 19.220 1.00 0.00 C ATOM 1155 O VAL A 70 3.935 20.032 19.419 1.00 0.00 O ATOM 1156 CB VAL A 70 3.239 22.789 18.572 1.00 0.00 C ATOM 1157 CG1 VAL A 70 3.310 23.373 20.008 1.00 0.00 C ATOM 1158 CG2 VAL A 70 2.958 23.883 17.506 1.00 0.00 C ATOM 0 H VAL A 70 3.626 20.918 16.693 1.00 0.00 H new ATOM 0 HA VAL A 70 5.381 22.717 18.252 1.00 0.00 H new ATOM 0 HB VAL A 70 2.401 22.092 18.560 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.386 23.907 20.230 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.441 22.562 20.724 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.153 24.061 20.080 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.044 24.417 17.765 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.792 24.584 17.476 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.841 23.416 16.528 1.00 0.00 H new ATOM 1168 N LEU A 71 5.997 20.906 19.810 1.00 0.00 N ATOM 1169 CA LEU A 71 6.348 20.026 20.925 1.00 0.00 C ATOM 1170 C LEU A 71 5.752 20.602 22.227 1.00 0.00 C ATOM 1171 O LEU A 71 5.563 21.820 22.342 1.00 0.00 O ATOM 1172 CB LEU A 71 7.886 19.891 21.024 1.00 0.00 C ATOM 1173 CG LEU A 71 8.618 19.337 19.759 1.00 0.00 C ATOM 1174 CD1 LEU A 71 10.154 19.390 19.932 1.00 0.00 C ATOM 1175 CD2 LEU A 71 8.150 17.903 19.427 1.00 0.00 C ATOM 0 H LEU A 71 6.753 21.529 19.526 1.00 0.00 H new ATOM 0 HA LEU A 71 5.935 19.031 20.762 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.301 20.872 21.257 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.118 19.239 21.866 1.00 0.00 H new ATOM 0 HG LEU A 71 8.354 19.979 18.919 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.635 18.998 19.036 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.467 20.422 20.090 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.444 18.787 20.793 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.676 17.544 18.543 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.366 17.246 20.269 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.077 17.906 19.235 1.00 0.00 H new ATOM 1187 N ARG A 72 5.415 19.715 23.176 1.00 0.00 N ATOM 1188 CA ARG A 72 4.785 20.096 24.466 1.00 0.00 C ATOM 1189 C ARG A 72 5.681 19.688 25.652 1.00 0.00 C ATOM 1190 O ARG A 72 5.783 20.426 26.637 1.00 0.00 O ATOM 1191 CB ARG A 72 3.381 19.431 24.583 1.00 0.00 C ATOM 1192 CG ARG A 72 2.350 19.932 23.540 1.00 0.00 C ATOM 1193 CD ARG A 72 0.988 19.225 23.669 1.00 0.00 C ATOM 1194 NE ARG A 72 0.318 19.556 24.940 1.00 0.00 N ATOM 1195 CZ ARG A 72 -0.416 18.726 25.694 1.00 0.00 C ATOM 1196 NH1 ARG A 72 -0.469 17.420 25.446 1.00 0.00 N ATOM 1197 NH2 ARG A 72 -1.070 19.219 26.736 1.00 0.00 N ATOM 0 H ARG A 72 5.568 18.711 23.078 1.00 0.00 H new ATOM 0 HA ARG A 72 4.666 21.179 24.493 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.493 18.352 24.477 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.987 19.614 25.583 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.211 21.006 23.659 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.745 19.771 22.537 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.348 19.513 22.835 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.131 18.146 23.603 1.00 0.00 H new ATOM 0 HE ARG A 72 0.424 20.512 25.279 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.057 17.027 24.666 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.036 16.811 26.036 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.009 20.214 26.952 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.634 18.603 27.322 1.00 0.00 H new ATOM 1211 N LEU A 73 6.301 18.491 25.530 1.00 0.00 N ATOM 1212 CA LEU A 73 7.174 17.883 26.566 1.00 0.00 C ATOM 1213 C LEU A 73 6.472 17.819 27.950 1.00 0.00 C ATOM 1214 O LEU A 73 7.046 18.228 28.975 1.00 0.00 O ATOM 1215 CB LEU A 73 8.577 18.597 26.656 1.00 0.00 C ATOM 1216 CG LEU A 73 9.594 18.367 25.473 1.00 0.00 C ATOM 1217 CD1 LEU A 73 9.826 16.870 25.184 1.00 0.00 C ATOM 1218 CD2 LEU A 73 9.182 19.121 24.198 1.00 0.00 C ATOM 0 H LEU A 73 6.208 17.910 24.697 1.00 0.00 H new ATOM 0 HA LEU A 73 7.362 16.856 26.253 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.402 19.669 26.744 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.058 18.275 27.579 1.00 0.00 H new ATOM 0 HG LEU A 73 10.545 18.784 25.805 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.534 16.764 24.362 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.228 16.386 26.074 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.880 16.401 24.912 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.913 18.932 23.411 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.201 18.776 23.872 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.140 20.190 24.405 1.00 0.00 H new ATOM 1358 N LYS B 201 11.557 27.742 24.870 1.00 0.00 N ATOM 1359 CA LYS B 201 11.024 29.039 24.402 1.00 0.00 C ATOM 1360 C LYS B 201 10.910 28.958 22.873 1.00 0.00 C ATOM 1361 O LYS B 201 11.898 28.673 22.184 1.00 0.00 O ATOM 1362 CB LYS B 201 11.927 30.232 24.854 1.00 0.00 C ATOM 1363 CG LYS B 201 11.770 30.669 26.346 1.00 0.00 C ATOM 1364 CD LYS B 201 12.112 29.564 27.388 1.00 0.00 C ATOM 1365 CE LYS B 201 13.580 29.092 27.337 1.00 0.00 C ATOM 1366 NZ LYS B 201 14.544 30.195 27.588 1.00 0.00 N ATOM 0 HA LYS B 201 10.046 29.228 24.844 1.00 0.00 H new ATOM 0 HB2 LYS B 201 12.969 29.962 24.681 1.00 0.00 H new ATOM 0 HB3 LYS B 201 11.710 31.090 24.218 1.00 0.00 H new ATOM 0 HG2 LYS B 201 12.412 31.531 26.527 1.00 0.00 H new ATOM 0 HG3 LYS B 201 10.743 30.997 26.508 1.00 0.00 H new ATOM 0 HD2 LYS B 201 11.896 29.941 28.388 1.00 0.00 H new ATOM 0 HD3 LYS B 201 11.459 28.707 27.223 1.00 0.00 H new ATOM 0 HE2 LYS B 201 13.731 28.307 28.078 1.00 0.00 H new ATOM 0 HE3 LYS B 201 13.783 28.652 26.360 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 15.511 29.813 27.610 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 14.468 30.902 26.829 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 14.328 30.643 28.501 1.00 0.00 H new ATOM 1380 N VAL B 202 9.699 29.195 22.361 1.00 0.00 N ATOM 1381 CA VAL B 202 9.302 28.877 20.969 1.00 0.00 C ATOM 1382 C VAL B 202 8.337 29.952 20.436 1.00 0.00 C ATOM 1383 O VAL B 202 8.056 30.915 21.134 1.00 0.00 O ATOM 1384 CB VAL B 202 8.623 27.450 20.901 1.00 0.00 C ATOM 1385 CG1 VAL B 202 9.656 26.310 21.063 1.00 0.00 C ATOM 1386 CG2 VAL B 202 7.503 27.321 21.962 1.00 0.00 C ATOM 0 H VAL B 202 8.948 29.620 22.904 1.00 0.00 H new ATOM 0 HA VAL B 202 10.196 28.865 20.345 1.00 0.00 H new ATOM 0 HB VAL B 202 8.179 27.353 19.910 1.00 0.00 H new ATOM 0 HG11 VAL B 202 9.147 25.348 21.010 1.00 0.00 H new ATOM 0 HG12 VAL B 202 10.396 26.373 20.265 1.00 0.00 H new ATOM 0 HG13 VAL B 202 10.154 26.405 22.028 1.00 0.00 H new ATOM 0 HG21 VAL B 202 7.051 26.331 21.896 1.00 0.00 H new ATOM 0 HG22 VAL B 202 7.926 27.461 22.957 1.00 0.00 H new ATOM 0 HG23 VAL B 202 6.742 28.080 21.782 1.00 0.00 H new ATOM 1396 N ASP B 203 7.850 29.783 19.189 1.00 0.00 N ATOM 1397 CA ASP B 203 6.889 30.729 18.552 1.00 0.00 C ATOM 1398 C ASP B 203 5.526 30.043 18.337 1.00 0.00 C ATOM 1399 O ASP B 203 5.470 28.835 18.120 1.00 0.00 O ATOM 1400 CB ASP B 203 7.440 31.270 17.197 1.00 0.00 C ATOM 1401 CG ASP B 203 6.563 32.375 16.584 1.00 0.00 C ATOM 1402 OD1 ASP B 203 6.680 33.541 17.011 1.00 0.00 O ATOM 1403 OD2 ASP B 203 5.744 32.073 15.683 1.00 0.00 O ATOM 0 H ASP B 203 8.105 28.995 18.593 1.00 0.00 H new ATOM 0 HA ASP B 203 6.758 31.577 19.225 1.00 0.00 H new ATOM 0 HB2 ASP B 203 8.447 31.658 17.351 1.00 0.00 H new ATOM 0 HB3 ASP B 203 7.521 30.445 16.490 1.00 0.00 H new ATOM 1408 N CYS B 204 4.434 30.835 18.417 1.00 0.00 N ATOM 1409 CA CYS B 204 3.051 30.368 18.172 1.00 0.00 C ATOM 1410 C CYS B 204 2.747 30.429 16.661 1.00 0.00 C ATOM 1411 O CYS B 204 2.467 31.507 16.157 1.00 0.00 O ATOM 1412 CB CYS B 204 2.062 31.239 18.989 1.00 0.00 C ATOM 1413 SG CYS B 204 0.292 30.779 18.895 1.00 0.00 S ATOM 0 H CYS B 204 4.488 31.825 18.656 1.00 0.00 H new ATOM 0 HA CYS B 204 2.939 29.333 18.496 1.00 0.00 H new ATOM 0 HB2 CYS B 204 2.366 31.209 20.035 1.00 0.00 H new ATOM 0 HB3 CYS B 204 2.163 32.272 18.657 1.00 0.00 H new ATOM 0 HG CYS B 204 -0.399 31.549 19.682 1.00 0.00 H new ATOM 1418 N PRO B 205 2.800 29.273 15.907 1.00 0.00 N ATOM 1419 CA PRO B 205 2.763 29.263 14.408 1.00 0.00 C ATOM 1420 C PRO B 205 1.420 29.701 13.775 1.00 0.00 C ATOM 1421 O PRO B 205 1.239 29.568 12.560 1.00 0.00 O ATOM 1422 CB PRO B 205 3.098 27.789 14.063 1.00 0.00 C ATOM 1423 CG PRO B 205 2.616 27.013 15.248 1.00 0.00 C ATOM 1424 CD PRO B 205 2.925 27.888 16.441 1.00 0.00 C ATOM 0 HA PRO B 205 3.458 29.996 14.000 1.00 0.00 H new ATOM 0 HB2 PRO B 205 2.597 27.471 13.149 1.00 0.00 H new ATOM 0 HB3 PRO B 205 4.168 27.651 13.905 1.00 0.00 H new ATOM 0 HG2 PRO B 205 1.548 26.806 15.176 1.00 0.00 H new ATOM 0 HG3 PRO B 205 3.123 26.051 15.322 1.00 0.00 H new ATOM 0 HD2 PRO B 205 2.227 27.710 17.259 1.00 0.00 H new ATOM 0 HD3 PRO B 205 3.926 27.697 16.829 1.00 0.00 H new ATOM 1432 N VAL B 206 0.485 30.206 14.597 1.00 0.00 N ATOM 1433 CA VAL B 206 -0.790 30.765 14.114 1.00 0.00 C ATOM 1434 C VAL B 206 -0.728 32.310 14.069 1.00 0.00 C ATOM 1435 O VAL B 206 -1.055 32.921 13.047 1.00 0.00 O ATOM 1436 CB VAL B 206 -2.002 30.309 15.011 1.00 0.00 C ATOM 1437 CG1 VAL B 206 -3.346 30.849 14.452 1.00 0.00 C ATOM 1438 CG2 VAL B 206 -2.031 28.763 15.169 1.00 0.00 C ATOM 0 H VAL B 206 0.590 30.239 15.611 1.00 0.00 H new ATOM 0 HA VAL B 206 -0.948 30.382 13.106 1.00 0.00 H new ATOM 0 HB VAL B 206 -1.864 30.738 16.004 1.00 0.00 H new ATOM 0 HG11 VAL B 206 -4.165 30.519 15.091 1.00 0.00 H new ATOM 0 HG12 VAL B 206 -3.320 31.938 14.430 1.00 0.00 H new ATOM 0 HG13 VAL B 206 -3.499 30.470 13.442 1.00 0.00 H new ATOM 0 HG21 VAL B 206 -2.878 28.477 15.793 1.00 0.00 H new ATOM 0 HG22 VAL B 206 -2.130 28.299 14.188 1.00 0.00 H new ATOM 0 HG23 VAL B 206 -1.106 28.428 15.637 1.00 0.00 H new ATOM 1448 N CYS B 207 -0.299 32.937 15.189 1.00 0.00 N ATOM 1449 CA CYS B 207 -0.338 34.420 15.349 1.00 0.00 C ATOM 1450 C CYS B 207 1.082 35.030 15.436 1.00 0.00 C ATOM 1451 O CYS B 207 1.229 36.254 15.473 1.00 0.00 O ATOM 1452 CB CYS B 207 -1.178 34.804 16.596 1.00 0.00 C ATOM 1453 SG CYS B 207 -0.392 34.456 18.206 1.00 0.00 S ATOM 0 H CYS B 207 0.079 32.444 15.998 1.00 0.00 H new ATOM 0 HA CYS B 207 -0.813 34.836 14.460 1.00 0.00 H new ATOM 0 HB2 CYS B 207 -1.407 35.868 16.545 1.00 0.00 H new ATOM 0 HB3 CYS B 207 -2.128 34.271 16.552 1.00 0.00 H new ATOM 0 HG CYS B 207 -0.209 33.175 18.332 1.00 0.00 H new ATOM 1458 N GLY B 208 2.105 34.156 15.454 1.00 0.00 N ATOM 1459 CA GLY B 208 3.525 34.542 15.470 1.00 0.00 C ATOM 1460 C GLY B 208 3.951 35.377 16.672 1.00 0.00 C ATOM 1461 O GLY B 208 4.418 36.508 16.511 1.00 0.00 O ATOM 0 H GLY B 208 1.964 33.146 15.458 1.00 0.00 H new ATOM 0 HA2 GLY B 208 4.132 33.637 15.441 1.00 0.00 H new ATOM 0 HA3 GLY B 208 3.744 35.102 14.561 1.00 0.00 H new ATOM 1465 N VAL B 209 3.754 34.829 17.885 1.00 0.00 N ATOM 1466 CA VAL B 209 4.269 35.428 19.140 1.00 0.00 C ATOM 1467 C VAL B 209 5.220 34.434 19.834 1.00 0.00 C ATOM 1468 O VAL B 209 4.883 33.249 19.997 1.00 0.00 O ATOM 1469 CB VAL B 209 3.116 35.877 20.122 1.00 0.00 C ATOM 1470 CG1 VAL B 209 2.264 36.998 19.490 1.00 0.00 C ATOM 1471 CG2 VAL B 209 2.225 34.688 20.563 1.00 0.00 C ATOM 0 H VAL B 209 3.236 33.962 18.028 1.00 0.00 H new ATOM 0 HA VAL B 209 4.814 36.334 18.873 1.00 0.00 H new ATOM 0 HB VAL B 209 3.594 36.268 21.020 1.00 0.00 H new ATOM 0 HG11 VAL B 209 1.476 37.291 20.184 1.00 0.00 H new ATOM 0 HG12 VAL B 209 2.897 37.859 19.275 1.00 0.00 H new ATOM 0 HG13 VAL B 209 1.816 36.637 18.564 1.00 0.00 H new ATOM 0 HG21 VAL B 209 1.447 35.047 21.237 1.00 0.00 H new ATOM 0 HG22 VAL B 209 1.764 34.234 19.686 1.00 0.00 H new ATOM 0 HG23 VAL B 209 2.836 33.946 21.077 1.00 0.00 H new ATOM 1481 N ASN B 210 6.418 34.914 20.208 1.00 0.00 N ATOM 1482 CA ASN B 210 7.432 34.089 20.878 1.00 0.00 C ATOM 1483 C ASN B 210 7.128 34.017 22.391 1.00 0.00 C ATOM 1484 O ASN B 210 7.165 35.028 23.096 1.00 0.00 O ATOM 1485 CB ASN B 210 8.853 34.635 20.609 1.00 0.00 C ATOM 1486 CG ASN B 210 9.943 33.688 21.119 1.00 0.00 C ATOM 1487 OD1 ASN B 210 10.403 33.797 22.254 1.00 0.00 O ATOM 1488 ND2 ASN B 210 10.336 32.730 20.297 1.00 0.00 N ATOM 0 H ASN B 210 6.708 35.880 20.055 1.00 0.00 H new ATOM 0 HA ASN B 210 7.395 33.078 20.471 1.00 0.00 H new ATOM 0 HB2 ASN B 210 8.983 34.793 19.538 1.00 0.00 H new ATOM 0 HB3 ASN B 210 8.964 35.607 21.090 1.00 0.00 H new ATOM 0 HD21 ASN B 210 11.039 32.056 20.599 1.00 0.00 H new ATOM 0 HD22 ASN B 210 9.936 32.665 19.361 1.00 0.00 H new ATOM 1495 N ILE B 211 6.819 32.799 22.854 1.00 0.00 N ATOM 1496 CA ILE B 211 6.291 32.502 24.202 1.00 0.00 C ATOM 1497 C ILE B 211 6.875 31.149 24.710 1.00 0.00 C ATOM 1498 O ILE B 211 7.378 30.361 23.899 1.00 0.00 O ATOM 1499 CB ILE B 211 4.705 32.427 24.148 1.00 0.00 C ATOM 1500 CG1 ILE B 211 4.257 31.497 22.968 1.00 0.00 C ATOM 1501 CG2 ILE B 211 4.071 33.842 24.038 1.00 0.00 C ATOM 1502 CD1 ILE B 211 2.765 31.447 22.713 1.00 0.00 C ATOM 0 H ILE B 211 6.932 31.960 22.284 1.00 0.00 H new ATOM 0 HA ILE B 211 6.586 33.294 24.890 1.00 0.00 H new ATOM 0 HB ILE B 211 4.345 31.996 25.082 1.00 0.00 H new ATOM 0 HG12 ILE B 211 4.754 31.830 22.057 1.00 0.00 H new ATOM 0 HG13 ILE B 211 4.608 30.485 23.171 1.00 0.00 H new ATOM 0 HG21 ILE B 211 2.985 33.753 24.003 1.00 0.00 H new ATOM 0 HG22 ILE B 211 4.359 34.438 24.904 1.00 0.00 H new ATOM 0 HG23 ILE B 211 4.424 34.329 23.129 1.00 0.00 H new ATOM 0 HD11 ILE B 211 2.561 30.777 21.878 1.00 0.00 H new ATOM 0 HD12 ILE B 211 2.256 31.082 23.605 1.00 0.00 H new ATOM 0 HD13 ILE B 211 2.403 32.447 22.473 1.00 0.00 H new ATOM 1514 N PRO B 212 6.850 30.867 26.058 1.00 0.00 N ATOM 1515 CA PRO B 212 7.244 29.536 26.612 1.00 0.00 C ATOM 1516 C PRO B 212 6.345 28.390 26.079 1.00 0.00 C ATOM 1517 O PRO B 212 5.201 28.622 25.696 1.00 0.00 O ATOM 1518 CB PRO B 212 7.090 29.719 28.147 1.00 0.00 C ATOM 1519 CG PRO B 212 6.164 30.887 28.300 1.00 0.00 C ATOM 1520 CD PRO B 212 6.486 31.813 27.149 1.00 0.00 C ATOM 0 HA PRO B 212 8.253 29.247 26.319 1.00 0.00 H new ATOM 0 HB2 PRO B 212 6.679 28.824 28.613 1.00 0.00 H new ATOM 0 HB3 PRO B 212 8.052 29.912 28.621 1.00 0.00 H new ATOM 0 HG2 PRO B 212 5.122 30.568 28.267 1.00 0.00 H new ATOM 0 HG3 PRO B 212 6.315 31.385 29.258 1.00 0.00 H new ATOM 0 HD2 PRO B 212 5.632 32.434 26.878 1.00 0.00 H new ATOM 0 HD3 PRO B 212 7.307 32.488 27.390 1.00 0.00 H new ATOM 1528 N GLU B 213 6.889 27.166 26.096 1.00 0.00 N ATOM 1529 CA GLU B 213 6.297 25.972 25.452 1.00 0.00 C ATOM 1530 C GLU B 213 4.990 25.485 26.135 1.00 0.00 C ATOM 1531 O GLU B 213 4.111 24.900 25.479 1.00 0.00 O ATOM 1532 CB GLU B 213 7.380 24.870 25.411 1.00 0.00 C ATOM 1533 CG GLU B 213 7.029 23.596 24.631 1.00 0.00 C ATOM 1534 CD GLU B 213 8.252 22.684 24.457 1.00 0.00 C ATOM 1535 OE1 GLU B 213 8.823 22.247 25.487 1.00 0.00 O ATOM 1536 OE2 GLU B 213 8.688 22.454 23.302 1.00 0.00 O ATOM 0 H GLU B 213 7.772 26.967 26.566 1.00 0.00 H new ATOM 0 HA GLU B 213 5.988 26.234 24.440 1.00 0.00 H new ATOM 0 HB2 GLU B 213 8.285 25.297 24.979 1.00 0.00 H new ATOM 0 HB3 GLU B 213 7.619 24.588 26.436 1.00 0.00 H new ATOM 0 HG2 GLU B 213 6.242 23.054 25.155 1.00 0.00 H new ATOM 0 HG3 GLU B 213 6.633 23.866 23.652 1.00 0.00 H new ATOM 1543 N SER B 214 4.850 25.738 27.444 1.00 0.00 N ATOM 1544 CA SER B 214 3.577 25.485 28.157 1.00 0.00 C ATOM 1545 C SER B 214 2.478 26.435 27.618 1.00 0.00 C ATOM 1546 O SER B 214 1.339 26.017 27.318 1.00 0.00 O ATOM 1547 CB SER B 214 3.775 25.675 29.681 1.00 0.00 C ATOM 1548 OG SER B 214 2.580 25.411 30.408 1.00 0.00 O ATOM 0 H SER B 214 5.593 26.115 28.032 1.00 0.00 H new ATOM 0 HA SER B 214 3.261 24.457 27.981 1.00 0.00 H new ATOM 0 HB2 SER B 214 4.566 25.012 30.030 1.00 0.00 H new ATOM 0 HB3 SER B 214 4.103 26.695 29.880 1.00 0.00 H new ATOM 0 HG SER B 214 2.744 25.540 31.365 1.00 0.00 H new ATOM 1554 N HIS B 215 2.864 27.713 27.450 1.00 0.00 N ATOM 1555 CA HIS B 215 1.962 28.781 26.981 1.00 0.00 C ATOM 1556 C HIS B 215 1.787 28.759 25.457 1.00 0.00 C ATOM 1557 O HIS B 215 0.851 29.373 24.948 1.00 0.00 O ATOM 1558 CB HIS B 215 2.471 30.163 27.464 1.00 0.00 C ATOM 1559 CG HIS B 215 2.265 30.385 28.939 1.00 0.00 C ATOM 1560 ND1 HIS B 215 1.194 31.084 29.439 1.00 0.00 N ATOM 1561 CD2 HIS B 215 2.988 29.994 30.017 1.00 0.00 C ATOM 1562 CE1 HIS B 215 1.257 31.110 30.752 1.00 0.00 C ATOM 1563 NE2 HIS B 215 2.338 30.459 31.129 1.00 0.00 N ATOM 0 H HIS B 215 3.814 28.035 27.636 1.00 0.00 H new ATOM 0 HA HIS B 215 0.978 28.599 27.414 1.00 0.00 H new ATOM 0 HB2 HIS B 215 3.533 30.253 27.234 1.00 0.00 H new ATOM 0 HB3 HIS B 215 1.956 30.947 26.909 1.00 0.00 H new ATOM 0 HD2 HIS B 215 3.905 29.423 30.002 1.00 0.00 H new ATOM 0 HE1 HIS B 215 0.544 31.584 31.410 1.00 0.00 H new ATOM 0 HE2 HIS B 215 2.642 30.323 32.093 1.00 0.00 H new ATOM 1572 N ILE B 216 2.684 28.057 24.728 1.00 0.00 N ATOM 1573 CA ILE B 216 2.544 27.902 23.270 1.00 0.00 C ATOM 1574 C ILE B 216 1.387 26.935 23.013 1.00 0.00 C ATOM 1575 O ILE B 216 0.525 27.228 22.192 1.00 0.00 O ATOM 1576 CB ILE B 216 3.895 27.466 22.531 1.00 0.00 C ATOM 1577 CG1 ILE B 216 3.951 27.994 21.056 1.00 0.00 C ATOM 1578 CG2 ILE B 216 4.140 25.936 22.532 1.00 0.00 C ATOM 1579 CD1 ILE B 216 3.029 27.298 20.068 1.00 0.00 C ATOM 0 H ILE B 216 3.503 27.595 25.124 1.00 0.00 H new ATOM 0 HA ILE B 216 2.322 28.875 22.832 1.00 0.00 H new ATOM 0 HB ILE B 216 4.690 27.928 23.116 1.00 0.00 H new ATOM 0 HG12 ILE B 216 3.710 29.057 21.061 1.00 0.00 H new ATOM 0 HG13 ILE B 216 4.975 27.901 20.696 1.00 0.00 H new ATOM 0 HG21 ILE B 216 5.073 25.717 22.014 1.00 0.00 H new ATOM 0 HG22 ILE B 216 4.203 25.578 23.560 1.00 0.00 H new ATOM 0 HG23 ILE B 216 3.316 25.435 22.023 1.00 0.00 H new ATOM 0 HD11 ILE B 216 3.151 27.744 19.081 1.00 0.00 H new ATOM 0 HD12 ILE B 216 3.279 26.238 20.021 1.00 0.00 H new ATOM 0 HD13 ILE B 216 1.995 27.412 20.393 1.00 0.00 H new ATOM 1591 N ASN B 217 1.353 25.824 23.781 1.00 0.00 N ATOM 1592 CA ASN B 217 0.271 24.834 23.718 1.00 0.00 C ATOM 1593 C ASN B 217 -1.091 25.527 23.928 1.00 0.00 C ATOM 1594 O ASN B 217 -1.974 25.449 23.062 1.00 0.00 O ATOM 1595 CB ASN B 217 0.500 23.736 24.790 1.00 0.00 C ATOM 1596 CG ASN B 217 -0.611 22.671 24.873 1.00 0.00 C ATOM 1597 OD1 ASN B 217 -0.917 22.165 25.958 1.00 0.00 O ATOM 1598 ND2 ASN B 217 -1.173 22.267 23.739 1.00 0.00 N ATOM 0 H ASN B 217 2.078 25.594 24.460 1.00 0.00 H new ATOM 0 HA ASN B 217 0.269 24.364 22.735 1.00 0.00 H new ATOM 0 HB2 ASN B 217 1.447 23.237 24.582 1.00 0.00 H new ATOM 0 HB3 ASN B 217 0.599 24.214 25.764 1.00 0.00 H new ATOM 0 HD21 ASN B 217 -1.873 21.525 23.753 1.00 0.00 H new ATOM 0 HD22 ASN B 217 -0.905 22.699 22.855 1.00 0.00 H new ATOM 1605 N LYS B 218 -1.189 26.264 25.056 1.00 0.00 N ATOM 1606 CA LYS B 218 -2.400 27.023 25.434 1.00 0.00 C ATOM 1607 C LYS B 218 -2.822 28.044 24.352 1.00 0.00 C ATOM 1608 O LYS B 218 -4.017 28.137 24.002 1.00 0.00 O ATOM 1609 CB LYS B 218 -2.155 27.744 26.790 1.00 0.00 C ATOM 1610 CG LYS B 218 -3.313 28.656 27.277 1.00 0.00 C ATOM 1611 CD LYS B 218 -4.648 27.892 27.464 1.00 0.00 C ATOM 1612 CE LYS B 218 -5.797 28.807 27.919 1.00 0.00 C ATOM 1613 NZ LYS B 218 -7.065 28.054 28.105 1.00 0.00 N ATOM 0 H LYS B 218 -0.429 26.349 25.731 1.00 0.00 H new ATOM 0 HA LYS B 218 -3.220 26.312 25.531 1.00 0.00 H new ATOM 0 HB2 LYS B 218 -1.963 26.990 27.554 1.00 0.00 H new ATOM 0 HB3 LYS B 218 -1.251 28.348 26.703 1.00 0.00 H new ATOM 0 HG2 LYS B 218 -3.030 29.119 28.222 1.00 0.00 H new ATOM 0 HG3 LYS B 218 -3.460 29.462 26.558 1.00 0.00 H new ATOM 0 HD2 LYS B 218 -4.922 27.412 26.525 1.00 0.00 H new ATOM 0 HD3 LYS B 218 -4.508 27.099 28.198 1.00 0.00 H new ATOM 0 HE2 LYS B 218 -5.524 29.295 28.855 1.00 0.00 H new ATOM 0 HE3 LYS B 218 -5.948 29.595 27.181 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 -7.814 28.707 28.412 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 -7.340 27.609 27.206 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 -6.929 27.319 28.828 1.00 0.00 H new ATOM 1627 N HIS B 219 -1.829 28.793 23.816 1.00 0.00 N ATOM 1628 CA HIS B 219 -2.090 29.852 22.821 1.00 0.00 C ATOM 1629 C HIS B 219 -2.715 29.250 21.566 1.00 0.00 C ATOM 1630 O HIS B 219 -3.538 29.888 20.947 1.00 0.00 O ATOM 1631 CB HIS B 219 -0.800 30.662 22.453 1.00 0.00 C ATOM 1632 CG HIS B 219 -0.974 32.166 22.549 1.00 0.00 C ATOM 1633 ND1 HIS B 219 -0.872 33.029 21.456 1.00 0.00 N ATOM 1634 CD2 HIS B 219 -1.224 32.908 23.659 1.00 0.00 C ATOM 1635 CE1 HIS B 219 -1.063 34.240 21.960 1.00 0.00 C ATOM 1636 NE2 HIS B 219 -1.275 34.211 23.273 1.00 0.00 N ATOM 0 H HIS B 219 -0.844 28.681 24.057 1.00 0.00 H new ATOM 0 HA HIS B 219 -2.788 30.556 23.274 1.00 0.00 H new ATOM 0 HB2 HIS B 219 0.011 30.356 23.114 1.00 0.00 H new ATOM 0 HB3 HIS B 219 -0.498 30.405 21.438 1.00 0.00 H new ATOM 0 HD2 HIS B 219 -1.358 32.532 24.663 1.00 0.00 H new ATOM 0 HE1 HIS B 219 -1.048 35.146 21.372 1.00 0.00 H new ATOM 0 HE2 HIS B 219 -1.444 35.015 23.877 1.00 0.00 H new ATOM 1644 N LEU B 220 -2.319 28.016 21.219 1.00 0.00 N ATOM 1645 CA LEU B 220 -2.855 27.302 20.048 1.00 0.00 C ATOM 1646 C LEU B 220 -4.310 26.922 20.246 1.00 0.00 C ATOM 1647 O LEU B 220 -5.095 27.078 19.336 1.00 0.00 O ATOM 1648 CB LEU B 220 -2.049 26.034 19.768 1.00 0.00 C ATOM 1649 CG LEU B 220 -0.555 26.258 19.491 1.00 0.00 C ATOM 1650 CD1 LEU B 220 0.178 24.925 19.402 1.00 0.00 C ATOM 1651 CD2 LEU B 220 -0.326 27.149 18.252 1.00 0.00 C ATOM 0 H LEU B 220 -1.621 27.486 21.740 1.00 0.00 H new ATOM 0 HA LEU B 220 -2.777 27.982 19.200 1.00 0.00 H new ATOM 0 HB2 LEU B 220 -2.148 25.364 20.622 1.00 0.00 H new ATOM 0 HB3 LEU B 220 -2.489 25.525 18.911 1.00 0.00 H new ATOM 0 HG LEU B 220 -0.131 26.806 20.332 1.00 0.00 H new ATOM 0 HD11 LEU B 220 1.235 25.104 19.205 1.00 0.00 H new ATOM 0 HD12 LEU B 220 0.070 24.387 20.344 1.00 0.00 H new ATOM 0 HD13 LEU B 220 -0.246 24.330 18.593 1.00 0.00 H new ATOM 0 HD21 LEU B 220 0.744 27.282 18.092 1.00 0.00 H new ATOM 0 HD22 LEU B 220 -0.768 26.674 17.376 1.00 0.00 H new ATOM 0 HD23 LEU B 220 -0.792 28.121 18.412 1.00 0.00 H new ATOM 1663 N ASP B 221 -4.643 26.431 21.448 1.00 0.00 N ATOM 1664 CA ASP B 221 -6.022 26.032 21.802 1.00 0.00 C ATOM 1665 C ASP B 221 -7.006 27.207 21.629 1.00 0.00 C ATOM 1666 O ASP B 221 -8.191 27.007 21.355 1.00 0.00 O ATOM 1667 CB ASP B 221 -6.063 25.476 23.248 1.00 0.00 C ATOM 1668 CG ASP B 221 -5.414 24.090 23.376 1.00 0.00 C ATOM 1669 OD1 ASP B 221 -6.078 23.085 23.051 1.00 0.00 O ATOM 1670 OD2 ASP B 221 -4.245 23.988 23.789 1.00 0.00 O ATOM 0 H ASP B 221 -3.970 26.298 22.203 1.00 0.00 H new ATOM 0 HA ASP B 221 -6.337 25.242 21.120 1.00 0.00 H new ATOM 0 HB2 ASP B 221 -5.554 26.173 23.914 1.00 0.00 H new ATOM 0 HB3 ASP B 221 -7.100 25.418 23.580 1.00 0.00 H new ATOM 1675 N SER B 222 -6.477 28.428 21.790 1.00 0.00 N ATOM 1676 CA SER B 222 -7.209 29.673 21.525 1.00 0.00 C ATOM 1677 C SER B 222 -7.108 30.092 20.032 1.00 0.00 C ATOM 1678 O SER B 222 -8.104 30.487 19.419 1.00 0.00 O ATOM 1679 CB SER B 222 -6.641 30.774 22.446 1.00 0.00 C ATOM 1680 OG SER B 222 -7.263 32.031 22.228 1.00 0.00 O ATOM 0 H SER B 222 -5.521 28.580 22.111 1.00 0.00 H new ATOM 0 HA SER B 222 -8.268 29.520 21.734 1.00 0.00 H new ATOM 0 HB2 SER B 222 -6.776 30.480 23.487 1.00 0.00 H new ATOM 0 HB3 SER B 222 -5.568 30.868 22.278 1.00 0.00 H new ATOM 0 HG SER B 222 -6.874 32.697 22.832 1.00 0.00 H new ATOM 1686 N CYS B 223 -5.899 29.961 19.462 1.00 0.00 N ATOM 1687 CA CYS B 223 -5.538 30.539 18.150 1.00 0.00 C ATOM 1688 C CYS B 223 -6.024 29.695 16.945 1.00 0.00 C ATOM 1689 O CYS B 223 -6.263 30.249 15.868 1.00 0.00 O ATOM 1690 CB CYS B 223 -4.006 30.763 18.087 1.00 0.00 C ATOM 1691 SG CYS B 223 -3.442 32.157 19.124 1.00 0.00 S ATOM 0 H CYS B 223 -5.135 29.447 19.900 1.00 0.00 H new ATOM 0 HA CYS B 223 -6.058 31.493 18.067 1.00 0.00 H new ATOM 0 HB2 CYS B 223 -3.498 29.853 18.405 1.00 0.00 H new ATOM 0 HB3 CYS B 223 -3.714 30.946 17.053 1.00 0.00 H new ATOM 0 HG CYS B 223 -3.254 31.744 20.342 1.00 0.00 H new ATOM 1696 N LEU B 224 -6.194 28.368 17.134 1.00 0.00 N ATOM 1697 CA LEU B 224 -6.558 27.431 16.035 1.00 0.00 C ATOM 1698 C LEU B 224 -8.005 27.669 15.594 1.00 0.00 C ATOM 1699 O LEU B 224 -8.382 27.355 14.457 1.00 0.00 O ATOM 1700 CB LEU B 224 -6.306 25.941 16.457 1.00 0.00 C ATOM 1701 CG LEU B 224 -7.146 25.357 17.667 1.00 0.00 C ATOM 1702 CD1 LEU B 224 -8.571 24.884 17.267 1.00 0.00 C ATOM 1703 CD2 LEU B 224 -6.382 24.220 18.374 1.00 0.00 C ATOM 0 H LEU B 224 -6.085 27.914 18.041 1.00 0.00 H new ATOM 0 HA LEU B 224 -5.914 27.628 15.178 1.00 0.00 H new ATOM 0 HB2 LEU B 224 -6.493 25.312 15.587 1.00 0.00 H new ATOM 0 HB3 LEU B 224 -5.249 25.838 16.704 1.00 0.00 H new ATOM 0 HG LEU B 224 -7.280 26.187 18.360 1.00 0.00 H new ATOM 0 HD11 LEU B 224 -9.086 24.497 18.146 1.00 0.00 H new ATOM 0 HD12 LEU B 224 -9.132 25.725 16.858 1.00 0.00 H new ATOM 0 HD13 LEU B 224 -8.496 24.098 16.515 1.00 0.00 H new ATOM 0 HD21 LEU B 224 -6.981 23.838 19.200 1.00 0.00 H new ATOM 0 HD22 LEU B 224 -6.188 23.416 17.664 1.00 0.00 H new ATOM 0 HD23 LEU B 224 -5.436 24.601 18.758 1.00 0.00 H new