USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 ASN : amide:sc= 0.141 K(o=0.27,f=-5.3!) USER MOD Set 1.2: B 17 ASN : amide:sc= 0.13 K(o=0.27,f=-5.3!) USER MOD Set 2.1: A 2 SER OG : rot 180:sc= 0.0283 USER MOD Set 2.2: B 2 SER OG : rot 180:sc= 0.0286 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0839 (180deg=0) USER MOD Single : A 3 MET CE :methyl -163:sc= -0.104 (180deg=-0.904) USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= -0.0137 (180deg=-0.253) USER MOD Single : A 5 GLN : amide:sc= -0.276 K(o=-0.28,f=-0.98) USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= -0.0539 (180deg=-0.297) USER MOD Single : A 15 SER OG : rot -83:sc= 1.05 USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= -1.22 (180deg=-1.38) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= 0.165 K(o=0.17,f=-0.63) USER MOD Single : A 22 ASN : amide:sc= -0.0554 K(o=-0.055,f=-1.4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= -0.0205 (180deg=-0.249) USER MOD Single : B 1 GLY N :NH3+ -115:sc= 0.0867 (180deg=0) USER MOD Single : B 3 MET CE :methyl -163:sc= -0.121 (180deg=-0.912) USER MOD Single : B 4 LYS NZ :NH3+ 166:sc= -0.0234 (180deg=-0.253) USER MOD Single : B 5 GLN : amide:sc= -0.252 K(o=-0.25,f=-1) USER MOD Single : B 9 LYS NZ :NH3+ -166:sc= -0.0323 (180deg=-0.241) USER MOD Single : B 15 SER OG : rot -82:sc= 1.1 USER MOD Single : B 16 LYS NZ :NH3+ -173:sc= -1.23 (180deg=-1.34) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HE2:sc= 0.184 K(o=0.18,f=-0.7) USER MOD Single : B 22 ASN : amide:sc= -0.0809 K(o=-0.081,f=-1.4!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ -165:sc= -0.0112 (180deg=-0.267) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.171 -6.226 -5.184 1.00 0.00 N ATOM 2 CA GLY A 1 -24.142 -5.291 -4.034 1.00 0.00 C ATOM 3 C GLY A 1 -22.877 -4.464 -4.022 1.00 0.00 C ATOM 4 O GLY A 1 -21.902 -4.811 -4.688 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.937 -5.955 -5.833 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.262 -6.186 -5.687 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.334 -7.194 -4.840 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.008 -4.631 -4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.218 -5.854 -3.104 1.00 0.00 H new ATOM 10 N SER A 2 -22.881 -3.375 -3.268 1.00 0.00 N ATOM 11 CA SER A 2 -21.736 -2.481 -3.220 1.00 0.00 C ATOM 12 C SER A 2 -20.687 -2.967 -2.223 1.00 0.00 C ATOM 13 O SER A 2 -19.490 -2.797 -2.447 1.00 0.00 O ATOM 14 CB SER A 2 -22.196 -1.069 -2.858 1.00 0.00 C ATOM 15 OG SER A 2 -23.112 -1.095 -1.775 1.00 0.00 O ATOM 0 H SER A 2 -23.665 -3.090 -2.681 1.00 0.00 H new ATOM 0 HA SER A 2 -21.273 -2.470 -4.207 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.333 -0.458 -2.594 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.665 -0.602 -3.724 1.00 0.00 H new ATOM 0 HG SER A 2 -23.391 -0.180 -1.560 1.00 0.00 H new ATOM 21 N MET A 3 -21.142 -3.596 -1.145 1.00 0.00 N ATOM 22 CA MET A 3 -20.261 -3.988 -0.046 1.00 0.00 C ATOM 23 C MET A 3 -19.092 -4.848 -0.521 1.00 0.00 C ATOM 24 O MET A 3 -17.943 -4.582 -0.177 1.00 0.00 O ATOM 25 CB MET A 3 -21.049 -4.737 1.033 1.00 0.00 C ATOM 26 CG MET A 3 -22.111 -3.890 1.713 1.00 0.00 C ATOM 27 SD MET A 3 -21.430 -2.435 2.535 1.00 0.00 S ATOM 28 CE MET A 3 -20.346 -3.197 3.743 1.00 0.00 C ATOM 0 H MET A 3 -22.121 -3.847 -1.007 1.00 0.00 H new ATOM 0 HA MET A 3 -19.849 -3.070 0.374 1.00 0.00 H new ATOM 0 HB2 MET A 3 -21.525 -5.609 0.584 1.00 0.00 H new ATOM 0 HB3 MET A 3 -20.354 -5.107 1.787 1.00 0.00 H new ATOM 0 HG2 MET A 3 -22.844 -3.572 0.972 1.00 0.00 H new ATOM 0 HG3 MET A 3 -22.641 -4.500 2.445 1.00 0.00 H new ATOM 0 HE1 MET A 3 -20.090 -2.469 4.513 1.00 0.00 H new ATOM 0 HE2 MET A 3 -20.852 -4.047 4.201 1.00 0.00 H new ATOM 0 HE3 MET A 3 -19.436 -3.539 3.250 1.00 0.00 H new ATOM 38 N LYS A 4 -19.382 -5.865 -1.322 1.00 0.00 N ATOM 39 CA LYS A 4 -18.351 -6.798 -1.769 1.00 0.00 C ATOM 40 C LYS A 4 -17.508 -6.214 -2.895 1.00 0.00 C ATOM 41 O LYS A 4 -16.365 -6.605 -3.083 1.00 0.00 O ATOM 42 CB LYS A 4 -18.981 -8.111 -2.229 1.00 0.00 C ATOM 43 CG LYS A 4 -19.651 -8.888 -1.111 1.00 0.00 C ATOM 44 CD LYS A 4 -20.269 -10.177 -1.626 1.00 0.00 C ATOM 45 CE LYS A 4 -20.937 -10.960 -0.512 1.00 0.00 C ATOM 46 NZ LYS A 4 -22.016 -10.178 0.146 1.00 0.00 N ATOM 0 H LYS A 4 -20.318 -6.066 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.696 -6.986 -0.918 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -19.717 -7.899 -3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.211 -8.735 -2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -18.920 -9.117 -0.336 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.422 -8.272 -0.649 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -21.002 -9.946 -2.399 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.497 -10.791 -2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -21.353 -11.883 -0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.191 -11.244 0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -22.599 -10.813 0.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -21.594 -9.444 0.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -22.611 -9.729 -0.579 1.00 0.00 H new ATOM 60 N GLN A 5 -18.063 -5.260 -3.620 1.00 0.00 N ATOM 61 CA GLN A 5 -17.397 -4.694 -4.783 1.00 0.00 C ATOM 62 C GLN A 5 -16.477 -3.572 -4.352 1.00 0.00 C ATOM 63 O GLN A 5 -15.372 -3.419 -4.874 1.00 0.00 O ATOM 64 CB GLN A 5 -18.418 -4.186 -5.801 1.00 0.00 C ATOM 65 CG GLN A 5 -19.280 -5.292 -6.384 1.00 0.00 C ATOM 66 CD GLN A 5 -18.456 -6.388 -7.030 1.00 0.00 C ATOM 67 OE1 GLN A 5 -17.372 -6.142 -7.561 1.00 0.00 O ATOM 68 NE2 GLN A 5 -18.961 -7.607 -6.982 1.00 0.00 N ATOM 0 H GLN A 5 -18.979 -4.857 -3.424 1.00 0.00 H new ATOM 0 HA GLN A 5 -16.806 -5.475 -5.260 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.061 -3.446 -5.324 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.893 -3.678 -6.610 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -19.897 -5.722 -5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -19.959 -4.868 -7.124 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -19.862 -7.768 -6.533 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -18.450 -8.387 -7.394 1.00 0.00 H new ATOM 77 N LEU A 6 -16.938 -2.795 -3.389 1.00 0.00 N ATOM 78 CA LEU A 6 -16.101 -1.795 -2.764 1.00 0.00 C ATOM 79 C LEU A 6 -15.002 -2.497 -1.987 1.00 0.00 C ATOM 80 O LEU A 6 -13.842 -2.104 -2.050 1.00 0.00 O ATOM 81 CB LEU A 6 -16.920 -0.891 -1.837 1.00 0.00 C ATOM 82 CG LEU A 6 -17.592 0.334 -2.484 1.00 0.00 C ATOM 83 CD1 LEU A 6 -16.560 1.391 -2.856 1.00 0.00 C ATOM 84 CD2 LEU A 6 -18.403 -0.063 -3.710 1.00 0.00 C ATOM 0 H LEU A 6 -17.889 -2.840 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 6 -15.663 -1.160 -3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -17.696 -1.497 -1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -16.266 -0.539 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 6 -18.273 0.759 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -17.062 2.245 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -16.032 1.716 -1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -15.847 0.970 -3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -18.865 0.824 -4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -17.746 -0.527 -4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -19.179 -0.771 -3.419 1.00 0.00 H new ATOM 96 N GLU A 7 -15.375 -3.564 -1.280 1.00 0.00 N ATOM 97 CA GLU A 7 -14.402 -4.397 -0.584 1.00 0.00 C ATOM 98 C GLU A 7 -13.434 -5.031 -1.580 1.00 0.00 C ATOM 99 O GLU A 7 -12.249 -5.190 -1.281 1.00 0.00 O ATOM 100 CB GLU A 7 -15.095 -5.485 0.241 1.00 0.00 C ATOM 101 CG GLU A 7 -14.135 -6.335 1.059 1.00 0.00 C ATOM 102 CD GLU A 7 -14.843 -7.366 1.915 1.00 0.00 C ATOM 103 OE1 GLU A 7 -15.166 -8.452 1.390 1.00 0.00 O ATOM 104 OE2 GLU A 7 -15.072 -7.089 3.111 1.00 0.00 O ATOM 0 H GLU A 7 -16.343 -3.869 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 7 -13.841 -3.758 0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.815 -5.017 0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.660 -6.133 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.443 -6.842 0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.539 -5.686 1.700 1.00 0.00 H new ATOM 111 N ASP A 8 -13.931 -5.387 -2.769 1.00 0.00 N ATOM 112 CA ASP A 8 -13.051 -5.902 -3.824 1.00 0.00 C ATOM 113 C ASP A 8 -11.993 -4.869 -4.185 1.00 0.00 C ATOM 114 O ASP A 8 -10.856 -5.215 -4.506 1.00 0.00 O ATOM 115 CB ASP A 8 -13.830 -6.292 -5.084 1.00 0.00 C ATOM 116 CG ASP A 8 -14.450 -7.671 -4.992 1.00 0.00 C ATOM 117 OD1 ASP A 8 -13.779 -8.592 -4.484 1.00 0.00 O ATOM 118 OD2 ASP A 8 -15.605 -7.833 -5.441 1.00 0.00 O ATOM 0 H ASP A 8 -14.917 -5.330 -3.023 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.573 -6.799 -3.430 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.616 -5.557 -5.261 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.161 -6.257 -5.944 1.00 0.00 H new ATOM 123 N LYS A 9 -12.374 -3.599 -4.114 1.00 0.00 N ATOM 124 CA LYS A 9 -11.469 -2.503 -4.423 1.00 0.00 C ATOM 125 C LYS A 9 -10.494 -2.274 -3.269 1.00 0.00 C ATOM 126 O LYS A 9 -9.308 -2.026 -3.489 1.00 0.00 O ATOM 127 CB LYS A 9 -12.267 -1.229 -4.718 1.00 0.00 C ATOM 128 CG LYS A 9 -11.409 -0.025 -5.080 1.00 0.00 C ATOM 129 CD LYS A 9 -12.258 1.206 -5.365 1.00 0.00 C ATOM 130 CE LYS A 9 -13.133 1.019 -6.596 1.00 0.00 C ATOM 131 NZ LYS A 9 -12.328 0.755 -7.819 1.00 0.00 N ATOM 0 H LYS A 9 -13.312 -3.303 -3.843 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.891 -2.764 -5.310 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.958 -1.428 -5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.871 -0.981 -3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.720 0.189 -4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.803 -0.260 -5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.887 1.421 -4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.609 2.070 -5.509 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.821 0.190 -6.429 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.740 1.911 -6.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.924 0.885 -8.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.526 1.416 -7.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.971 -0.221 -7.795 1.00 0.00 H new ATOM 145 N VAL A 10 -10.997 -2.370 -2.041 1.00 0.00 N ATOM 146 CA VAL A 10 -10.149 -2.234 -0.860 1.00 0.00 C ATOM 147 C VAL A 10 -9.089 -3.333 -0.857 1.00 0.00 C ATOM 148 O VAL A 10 -7.900 -3.075 -0.681 1.00 0.00 O ATOM 149 CB VAL A 10 -10.951 -2.332 0.462 1.00 0.00 C ATOM 150 CG1 VAL A 10 -10.098 -1.883 1.633 1.00 0.00 C ATOM 151 CG2 VAL A 10 -12.232 -1.522 0.417 1.00 0.00 C ATOM 0 H VAL A 10 -11.982 -2.540 -1.838 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.693 -1.245 -0.912 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.226 -3.379 0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.676 -1.958 2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.216 -2.519 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.788 -0.849 1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.759 -1.622 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.993 -0.473 0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.866 -1.888 -0.391 1.00 0.00 H new ATOM 161 N GLU A 11 -9.532 -4.565 -1.086 1.00 0.00 N ATOM 162 CA GLU A 11 -8.642 -5.719 -1.073 1.00 0.00 C ATOM 163 C GLU A 11 -7.708 -5.686 -2.288 1.00 0.00 C ATOM 164 O GLU A 11 -6.668 -6.340 -2.302 1.00 0.00 O ATOM 165 CB GLU A 11 -9.473 -7.011 -1.063 1.00 0.00 C ATOM 166 CG GLU A 11 -8.838 -8.180 -0.312 1.00 0.00 C ATOM 167 CD GLU A 11 -7.621 -8.766 -1.004 1.00 0.00 C ATOM 168 OE1 GLU A 11 -7.799 -9.486 -2.009 1.00 0.00 O ATOM 169 OE2 GLU A 11 -6.492 -8.512 -0.535 1.00 0.00 O ATOM 0 H GLU A 11 -10.507 -4.790 -1.284 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.028 -5.688 -0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.445 -6.797 -0.618 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.655 -7.316 -2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.551 -7.846 0.685 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.584 -8.965 -0.183 1.00 0.00 H new ATOM 176 N GLU A 12 -8.081 -4.918 -3.303 1.00 0.00 N ATOM 177 CA GLU A 12 -7.247 -4.752 -4.487 1.00 0.00 C ATOM 178 C GLU A 12 -6.003 -3.963 -4.095 1.00 0.00 C ATOM 179 O GLU A 12 -4.883 -4.277 -4.509 1.00 0.00 O ATOM 180 CB GLU A 12 -8.030 -4.033 -5.592 1.00 0.00 C ATOM 181 CG GLU A 12 -7.658 -4.455 -7.009 1.00 0.00 C ATOM 182 CD GLU A 12 -6.246 -4.070 -7.401 1.00 0.00 C ATOM 183 OE1 GLU A 12 -6.028 -2.888 -7.730 1.00 0.00 O ATOM 184 OE2 GLU A 12 -5.363 -4.952 -7.390 1.00 0.00 O ATOM 0 H GLU A 12 -8.958 -4.398 -3.330 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.949 -5.726 -4.876 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.094 -4.212 -5.441 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.871 -2.959 -5.493 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.770 -5.535 -7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.358 -4.002 -7.711 1.00 0.00 H new ATOM 191 N LEU A 13 -6.208 -2.943 -3.276 1.00 0.00 N ATOM 192 CA LEU A 13 -5.098 -2.247 -2.657 1.00 0.00 C ATOM 193 C LEU A 13 -4.402 -3.191 -1.697 1.00 0.00 C ATOM 194 O LEU A 13 -3.207 -3.415 -1.797 1.00 0.00 O ATOM 195 CB LEU A 13 -5.574 -1.008 -1.899 1.00 0.00 C ATOM 196 CG LEU A 13 -6.222 0.081 -2.746 1.00 0.00 C ATOM 197 CD1 LEU A 13 -6.656 1.236 -1.867 1.00 0.00 C ATOM 198 CD2 LEU A 13 -5.266 0.573 -3.814 1.00 0.00 C ATOM 0 H LEU A 13 -7.129 -2.582 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.411 -1.922 -3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.288 -1.323 -1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.721 -0.576 -1.376 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.098 -0.343 -3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.118 2.008 -2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.376 0.881 -1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.787 1.651 -1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.750 1.350 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.372 0.981 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.987 -0.257 -4.463 1.00 0.00 H new ATOM 210 N LEU A 14 -5.194 -3.779 -0.807 1.00 0.00 N ATOM 211 CA LEU A 14 -4.702 -4.661 0.254 1.00 0.00 C ATOM 212 C LEU A 14 -3.758 -5.743 -0.278 1.00 0.00 C ATOM 213 O LEU A 14 -2.819 -6.152 0.404 1.00 0.00 O ATOM 214 CB LEU A 14 -5.892 -5.332 0.937 1.00 0.00 C ATOM 215 CG LEU A 14 -5.696 -5.677 2.413 1.00 0.00 C ATOM 216 CD1 LEU A 14 -5.641 -4.411 3.254 1.00 0.00 C ATOM 217 CD2 LEU A 14 -6.813 -6.588 2.891 1.00 0.00 C ATOM 0 H LEU A 14 -6.207 -3.658 -0.799 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.140 -4.048 0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.757 -4.675 0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.130 -6.248 0.396 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.747 -6.202 2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.501 -4.676 4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.809 -3.790 2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.574 -3.858 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.662 -6.827 3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.772 -6.084 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.808 -7.508 2.306 1.00 0.00 H new ATOM 229 N SER A 15 -4.015 -6.208 -1.491 1.00 0.00 N ATOM 230 CA SER A 15 -3.213 -7.266 -2.084 1.00 0.00 C ATOM 231 C SER A 15 -1.866 -6.733 -2.560 1.00 0.00 C ATOM 232 O SER A 15 -0.832 -7.379 -2.355 1.00 0.00 O ATOM 233 CB SER A 15 -3.973 -7.943 -3.226 1.00 0.00 C ATOM 234 OG SER A 15 -4.630 -6.987 -4.037 1.00 0.00 O ATOM 0 H SER A 15 -4.773 -5.869 -2.084 1.00 0.00 H new ATOM 0 HA SER A 15 -3.018 -8.015 -1.316 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.280 -8.525 -3.833 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.703 -8.641 -2.817 1.00 0.00 H new ATOM 0 HG SER A 15 -5.486 -6.743 -3.627 1.00 0.00 H new ATOM 240 N LYS A 16 -1.846 -5.556 -3.185 1.00 0.00 N ATOM 241 CA LYS A 16 -0.561 -4.974 -3.543 1.00 0.00 C ATOM 242 C LYS A 16 0.114 -4.396 -2.311 1.00 0.00 C ATOM 243 O LYS A 16 1.324 -4.411 -2.229 1.00 0.00 O ATOM 244 CB LYS A 16 -0.627 -3.930 -4.666 1.00 0.00 C ATOM 245 CG LYS A 16 -1.361 -2.636 -4.342 1.00 0.00 C ATOM 246 CD LYS A 16 -0.907 -1.530 -5.288 1.00 0.00 C ATOM 247 CE LYS A 16 -1.837 -0.328 -5.272 1.00 0.00 C ATOM 248 NZ LYS A 16 -3.141 -0.637 -5.918 1.00 0.00 N ATOM 0 H LYS A 16 -2.668 -5.010 -3.443 1.00 0.00 H new ATOM 0 HA LYS A 16 0.035 -5.793 -3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.392 -3.680 -4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.107 -4.388 -5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.437 -2.785 -4.433 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.166 -2.346 -3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.098 -1.211 -5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.848 -1.926 -6.302 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.006 -0.011 -4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.363 0.507 -5.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.718 0.227 -5.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.975 -0.996 -6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.642 -1.358 -5.361 1.00 0.00 H new ATOM 262 N ASN A 17 -0.674 -3.912 -1.354 1.00 0.00 N ATOM 263 CA ASN A 17 -0.149 -3.507 -0.045 1.00 0.00 C ATOM 264 C ASN A 17 0.597 -4.663 0.582 1.00 0.00 C ATOM 265 O ASN A 17 1.663 -4.483 1.158 1.00 0.00 O ATOM 266 CB ASN A 17 -1.275 -3.105 0.905 1.00 0.00 C ATOM 267 CG ASN A 17 -1.887 -1.770 0.575 1.00 0.00 C ATOM 268 OD1 ASN A 17 -1.938 -1.366 -0.583 1.00 0.00 O ATOM 269 ND2 ASN A 17 -2.366 -1.078 1.594 1.00 0.00 N ATOM 0 H ASN A 17 -1.681 -3.789 -1.457 1.00 0.00 H new ATOM 0 HA ASN A 17 0.511 -2.654 -0.204 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.052 -3.869 0.879 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.888 -3.077 1.924 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.800 -0.169 1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.302 -1.453 2.540 1.00 0.00 H new ATOM 276 N TYR A 18 0.019 -5.855 0.470 1.00 0.00 N ATOM 277 CA TYR A 18 0.654 -7.062 0.985 1.00 0.00 C ATOM 278 C TYR A 18 2.081 -7.177 0.452 1.00 0.00 C ATOM 279 O TYR A 18 3.027 -7.404 1.208 1.00 0.00 O ATOM 280 CB TYR A 18 -0.164 -8.294 0.590 1.00 0.00 C ATOM 281 CG TYR A 18 0.375 -9.596 1.137 1.00 0.00 C ATOM 282 CD1 TYR A 18 0.090 -9.997 2.436 1.00 0.00 C ATOM 283 CD2 TYR A 18 1.164 -10.427 0.352 1.00 0.00 C ATOM 284 CE1 TYR A 18 0.577 -11.187 2.937 1.00 0.00 C ATOM 285 CE2 TYR A 18 1.654 -11.619 0.847 1.00 0.00 C ATOM 286 CZ TYR A 18 1.358 -11.994 2.138 1.00 0.00 C ATOM 287 OH TYR A 18 1.847 -13.180 2.634 1.00 0.00 O ATOM 0 H TYR A 18 -0.887 -6.010 0.028 1.00 0.00 H new ATOM 0 HA TYR A 18 0.695 -7.003 2.073 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.189 -8.163 0.938 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.202 -8.358 -0.497 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.523 -9.367 3.064 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.398 -10.136 -0.661 1.00 0.00 H new ATOM 0 HE1 TYR A 18 0.347 -11.484 3.950 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.267 -12.254 0.224 1.00 0.00 H new ATOM 0 HH TYR A 18 2.378 -13.629 1.943 1.00 0.00 H new ATOM 297 N HIS A 19 2.225 -6.977 -0.849 1.00 0.00 N ATOM 298 CA HIS A 19 3.525 -7.081 -1.502 1.00 0.00 C ATOM 299 C HIS A 19 4.359 -5.817 -1.294 1.00 0.00 C ATOM 300 O HIS A 19 5.546 -5.894 -0.996 1.00 0.00 O ATOM 301 CB HIS A 19 3.348 -7.353 -2.999 1.00 0.00 C ATOM 302 CG HIS A 19 2.744 -8.690 -3.295 1.00 0.00 C ATOM 303 ND1 HIS A 19 1.412 -8.865 -3.618 1.00 0.00 N ATOM 304 CD2 HIS A 19 3.298 -9.924 -3.316 1.00 0.00 C ATOM 305 CE1 HIS A 19 1.178 -10.147 -3.820 1.00 0.00 C ATOM 306 NE2 HIS A 19 2.305 -10.810 -3.646 1.00 0.00 N ATOM 0 H HIS A 19 1.456 -6.741 -1.477 1.00 0.00 H new ATOM 0 HA HIS A 19 4.059 -7.915 -1.047 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.718 -6.575 -3.430 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.319 -7.285 -3.490 1.00 0.00 H new ATOM 0 HD1 HIS A 19 0.719 -8.120 -3.689 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.330 -10.166 -3.111 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.225 -10.581 -4.083 1.00 0.00 H new ATOM 315 N LEU A 20 3.722 -4.663 -1.447 1.00 0.00 N ATOM 316 CA LEU A 20 4.370 -3.374 -1.331 1.00 0.00 C ATOM 317 C LEU A 20 4.891 -3.137 0.098 1.00 0.00 C ATOM 318 O LEU A 20 5.986 -2.601 0.283 1.00 0.00 O ATOM 319 CB LEU A 20 3.363 -2.296 -1.803 1.00 0.00 C ATOM 320 CG LEU A 20 3.648 -0.857 -1.412 1.00 0.00 C ATOM 321 CD1 LEU A 20 5.095 -0.516 -1.641 1.00 0.00 C ATOM 322 CD2 LEU A 20 2.789 0.110 -2.196 1.00 0.00 C ATOM 0 H LEU A 20 2.726 -4.601 -1.658 1.00 0.00 H new ATOM 0 HA LEU A 20 5.256 -3.327 -1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.302 -2.344 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.379 -2.562 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 20 3.412 -0.764 -0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.275 0.520 -1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.723 -1.173 -1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.337 -0.647 -2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.019 1.131 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.991 -0.005 -3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.737 -0.098 -2.002 1.00 0.00 H new ATOM 334 N GLU A 21 4.148 -3.580 1.103 1.00 0.00 N ATOM 335 CA GLU A 21 4.568 -3.386 2.482 1.00 0.00 C ATOM 336 C GLU A 21 5.732 -4.316 2.811 1.00 0.00 C ATOM 337 O GLU A 21 6.639 -3.954 3.562 1.00 0.00 O ATOM 338 CB GLU A 21 3.403 -3.611 3.443 1.00 0.00 C ATOM 339 CG GLU A 21 3.556 -2.865 4.753 1.00 0.00 C ATOM 340 CD GLU A 21 2.418 -3.136 5.715 1.00 0.00 C ATOM 341 OE1 GLU A 21 2.555 -4.055 6.551 1.00 0.00 O ATOM 342 OE2 GLU A 21 1.388 -2.433 5.631 1.00 0.00 O ATOM 0 H GLU A 21 3.261 -4.071 0.991 1.00 0.00 H new ATOM 0 HA GLU A 21 4.902 -2.355 2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.477 -3.298 2.960 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.311 -4.677 3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.498 -3.150 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.611 -1.795 4.553 1.00 0.00 H new ATOM 349 N ASN A 22 5.715 -5.511 2.228 1.00 0.00 N ATOM 350 CA ASN A 22 6.832 -6.439 2.374 1.00 0.00 C ATOM 351 C ASN A 22 8.020 -5.969 1.548 1.00 0.00 C ATOM 352 O ASN A 22 9.173 -6.242 1.885 1.00 0.00 O ATOM 353 CB ASN A 22 6.434 -7.858 1.957 1.00 0.00 C ATOM 354 CG ASN A 22 5.586 -8.555 3.002 1.00 0.00 C ATOM 355 OD1 ASN A 22 5.708 -8.287 4.198 1.00 0.00 O ATOM 356 ND2 ASN A 22 4.727 -9.460 2.563 1.00 0.00 N ATOM 0 H ASN A 22 4.946 -5.858 1.654 1.00 0.00 H new ATOM 0 HA ASN A 22 7.113 -6.460 3.427 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.884 -7.816 1.017 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.334 -8.445 1.774 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.136 -9.965 3.223 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.656 -9.653 1.564 1.00 0.00 H new ATOM 363 N GLU A 23 7.726 -5.256 0.466 1.00 0.00 N ATOM 364 CA GLU A 23 8.760 -4.704 -0.397 1.00 0.00 C ATOM 365 C GLU A 23 9.606 -3.700 0.375 1.00 0.00 C ATOM 366 O GLU A 23 10.835 -3.735 0.305 1.00 0.00 O ATOM 367 CB GLU A 23 8.132 -4.035 -1.624 1.00 0.00 C ATOM 368 CG GLU A 23 9.144 -3.547 -2.650 1.00 0.00 C ATOM 369 CD GLU A 23 9.917 -4.676 -3.309 1.00 0.00 C ATOM 370 OE1 GLU A 23 9.421 -5.231 -4.312 1.00 0.00 O ATOM 371 OE2 GLU A 23 11.023 -4.997 -2.827 1.00 0.00 O ATOM 0 H GLU A 23 6.774 -5.047 0.166 1.00 0.00 H new ATOM 0 HA GLU A 23 9.401 -5.518 -0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.456 -4.742 -2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.528 -3.190 -1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.626 -2.973 -3.418 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.846 -2.869 -2.165 1.00 0.00 H new ATOM 378 N VAL A 24 8.946 -2.812 1.120 1.00 0.00 N ATOM 379 CA VAL A 24 9.664 -1.855 1.951 1.00 0.00 C ATOM 380 C VAL A 24 10.486 -2.586 3.005 1.00 0.00 C ATOM 381 O VAL A 24 11.666 -2.301 3.182 1.00 0.00 O ATOM 382 CB VAL A 24 8.733 -0.842 2.666 1.00 0.00 C ATOM 383 CG1 VAL A 24 9.505 -0.054 3.705 1.00 0.00 C ATOM 384 CG2 VAL A 24 8.143 0.124 1.680 1.00 0.00 C ATOM 0 H VAL A 24 7.930 -2.738 1.163 1.00 0.00 H new ATOM 0 HA VAL A 24 10.308 -1.293 1.274 1.00 0.00 H new ATOM 0 HB VAL A 24 7.936 -1.409 3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.836 0.652 4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.920 -0.737 4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.315 0.491 3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.493 0.826 2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.944 0.672 1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.563 -0.423 0.937 1.00 0.00 H new ATOM 394 N ALA A 25 9.853 -3.537 3.688 1.00 0.00 N ATOM 395 CA ALA A 25 10.511 -4.303 4.744 1.00 0.00 C ATOM 396 C ALA A 25 11.802 -4.941 4.240 1.00 0.00 C ATOM 397 O ALA A 25 12.832 -4.910 4.918 1.00 0.00 O ATOM 398 CB ALA A 25 9.567 -5.368 5.285 1.00 0.00 C ATOM 0 H ALA A 25 8.880 -3.797 3.528 1.00 0.00 H new ATOM 0 HA ALA A 25 10.770 -3.617 5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.068 -5.933 6.071 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.676 -4.891 5.692 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.281 -6.044 4.479 1.00 0.00 H new ATOM 404 N ARG A 26 11.742 -5.502 3.040 1.00 0.00 N ATOM 405 CA ARG A 26 12.913 -6.087 2.406 1.00 0.00 C ATOM 406 C ARG A 26 13.992 -5.025 2.215 1.00 0.00 C ATOM 407 O ARG A 26 15.099 -5.148 2.736 1.00 0.00 O ATOM 408 CB ARG A 26 12.528 -6.698 1.056 1.00 0.00 C ATOM 409 CG ARG A 26 13.699 -7.282 0.283 1.00 0.00 C ATOM 410 CD ARG A 26 13.257 -7.794 -1.078 1.00 0.00 C ATOM 411 NE ARG A 26 14.383 -8.255 -1.890 1.00 0.00 N ATOM 412 CZ ARG A 26 14.335 -8.393 -3.215 1.00 0.00 C ATOM 413 NH1 ARG A 26 13.213 -8.129 -3.874 1.00 0.00 N ATOM 414 NH2 ARG A 26 15.409 -8.803 -3.881 1.00 0.00 N ATOM 0 H ARG A 26 10.889 -5.564 2.484 1.00 0.00 H new ATOM 0 HA ARG A 26 13.307 -6.874 3.049 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.789 -7.482 1.222 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.049 -5.932 0.446 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.470 -6.522 0.156 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.145 -8.096 0.854 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.550 -8.612 -0.944 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.730 -7.001 -1.608 1.00 0.00 H new ATOM 0 HE ARG A 26 15.256 -8.484 -1.415 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.384 -7.819 -3.366 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.180 -8.236 -4.888 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.272 -9.013 -3.378 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.371 -8.908 -4.895 1.00 0.00 H new ATOM 428 N LEU A 27 13.645 -3.966 1.494 1.00 0.00 N ATOM 429 CA LEU A 27 14.590 -2.894 1.186 1.00 0.00 C ATOM 430 C LEU A 27 15.138 -2.248 2.453 1.00 0.00 C ATOM 431 O LEU A 27 16.302 -1.854 2.503 1.00 0.00 O ATOM 432 CB LEU A 27 13.918 -1.825 0.326 1.00 0.00 C ATOM 433 CG LEU A 27 13.988 -2.029 -1.194 1.00 0.00 C ATOM 434 CD1 LEU A 27 13.756 -3.483 -1.576 1.00 0.00 C ATOM 435 CD2 LEU A 27 12.965 -1.143 -1.887 1.00 0.00 C ATOM 0 H LEU A 27 12.711 -3.824 1.109 1.00 0.00 H new ATOM 0 HA LEU A 27 15.420 -3.340 0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.869 -1.764 0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.370 -0.862 0.563 1.00 0.00 H new ATOM 0 HG LEU A 27 14.991 -1.752 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.813 -3.588 -2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.518 -4.108 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.770 -3.797 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.023 -1.295 -2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.965 -1.400 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.173 -0.098 -1.656 1.00 0.00 H new ATOM 447 N LYS A 28 14.296 -2.153 3.471 1.00 0.00 N ATOM 448 CA LYS A 28 14.672 -1.536 4.735 1.00 0.00 C ATOM 449 C LYS A 28 15.779 -2.335 5.420 1.00 0.00 C ATOM 450 O LYS A 28 16.537 -1.797 6.221 1.00 0.00 O ATOM 451 CB LYS A 28 13.448 -1.433 5.648 1.00 0.00 C ATOM 452 CG LYS A 28 13.667 -0.618 6.914 1.00 0.00 C ATOM 453 CD LYS A 28 13.885 0.862 6.622 1.00 0.00 C ATOM 454 CE LYS A 28 15.358 1.237 6.639 1.00 0.00 C ATOM 455 NZ LYS A 28 15.552 2.710 6.574 1.00 0.00 N ATOM 0 H LYS A 28 13.337 -2.500 3.445 1.00 0.00 H new ATOM 0 HA LYS A 28 15.052 -0.534 4.534 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.627 -0.990 5.084 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.135 -2.439 5.929 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.804 -0.733 7.570 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.531 -1.011 7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.461 1.105 5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.351 1.459 7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.822 0.849 7.546 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.863 0.766 5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.569 2.927 6.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.131 3.077 5.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.091 3.157 7.392 1.00 0.00 H new ATOM 469 N LYS A 29 15.861 -3.621 5.109 1.00 0.00 N ATOM 470 CA LYS A 29 16.941 -4.455 5.617 1.00 0.00 C ATOM 471 C LYS A 29 18.153 -4.357 4.693 1.00 0.00 C ATOM 472 O LYS A 29 19.301 -4.327 5.145 1.00 0.00 O ATOM 473 CB LYS A 29 16.482 -5.910 5.736 1.00 0.00 C ATOM 474 CG LYS A 29 17.541 -6.832 6.312 1.00 0.00 C ATOM 475 CD LYS A 29 17.038 -8.258 6.426 1.00 0.00 C ATOM 476 CE LYS A 29 18.110 -9.181 6.981 1.00 0.00 C ATOM 477 NZ LYS A 29 19.312 -9.233 6.105 1.00 0.00 N ATOM 0 H LYS A 29 15.195 -4.108 4.509 1.00 0.00 H new ATOM 0 HA LYS A 29 17.222 -4.100 6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.593 -5.952 6.365 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.192 -6.273 4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.428 -6.808 5.679 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.842 -6.472 7.296 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.161 -8.286 7.073 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.722 -8.613 5.445 1.00 0.00 H new ATOM 0 HE2 LYS A 29 18.401 -8.842 7.975 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.701 -10.185 7.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.902 -10.047 6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.015 -9.332 5.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.861 -8.357 6.216 1.00 0.00 H new ATOM 491 N LEU A 30 17.880 -4.296 3.396 1.00 0.00 N ATOM 492 CA LEU A 30 18.917 -4.180 2.379 1.00 0.00 C ATOM 493 C LEU A 30 19.725 -2.896 2.541 1.00 0.00 C ATOM 494 O LEU A 30 20.955 -2.933 2.562 1.00 0.00 O ATOM 495 CB LEU A 30 18.295 -4.244 0.985 1.00 0.00 C ATOM 496 CG LEU A 30 18.166 -5.648 0.384 1.00 0.00 C ATOM 497 CD1 LEU A 30 17.328 -6.559 1.265 1.00 0.00 C ATOM 498 CD2 LEU A 30 17.578 -5.572 -1.016 1.00 0.00 C ATOM 0 H LEU A 30 16.933 -4.326 3.019 1.00 0.00 H new ATOM 0 HA LEU A 30 19.603 -5.018 2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 30 17.303 -3.793 1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 30 18.894 -3.633 0.310 1.00 0.00 H new ATOM 0 HG LEU A 30 19.166 -6.077 0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.259 -7.545 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.795 -6.647 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.328 -6.139 1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.492 -6.577 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 30 16.591 -5.113 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 30 18.229 -4.972 -1.652 1.00 0.00 H new ATOM 510 N VAL A 31 19.043 -1.762 2.654 1.00 0.00 N ATOM 511 CA VAL A 31 19.728 -0.494 2.882 1.00 0.00 C ATOM 512 C VAL A 31 19.917 -0.268 4.381 1.00 0.00 C ATOM 513 O VAL A 31 20.624 0.647 4.809 1.00 0.00 O ATOM 514 CB VAL A 31 18.968 0.703 2.250 1.00 0.00 C ATOM 515 CG1 VAL A 31 17.656 0.986 2.965 1.00 0.00 C ATOM 516 CG2 VAL A 31 19.845 1.944 2.227 1.00 0.00 C ATOM 0 H VAL A 31 18.027 -1.693 2.592 1.00 0.00 H new ATOM 0 HA VAL A 31 20.701 -0.552 2.395 1.00 0.00 H new ATOM 0 HB VAL A 31 18.725 0.427 1.224 1.00 0.00 H new ATOM 0 HG11 VAL A 31 17.158 1.831 2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.014 0.107 2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 31 17.855 1.223 4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 31 19.293 2.771 1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 31 20.131 2.207 3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 31 20.741 1.746 1.639 1.00 0.00 H new ATOM 526 N GLY A 32 19.283 -1.124 5.172 1.00 0.00 N ATOM 527 CA GLY A 32 19.392 -1.036 6.611 1.00 0.00 C ATOM 528 C GLY A 32 20.749 -1.477 7.109 1.00 0.00 C ATOM 529 O GLY A 32 21.431 -0.725 7.808 1.00 0.00 O ATOM 0 H GLY A 32 18.691 -1.883 4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 32 19.208 -0.009 6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.620 -1.653 7.071 1.00 0.00 H new ATOM 533 N GLU A 33 21.136 -2.695 6.734 1.00 0.00 N ATOM 534 CA GLU A 33 22.428 -3.262 7.107 1.00 0.00 C ATOM 535 C GLU A 33 22.575 -3.339 8.625 1.00 0.00 C ATOM 536 O GLU A 33 22.033 -4.292 9.221 1.00 0.00 O ATOM 537 CB GLU A 33 23.575 -2.448 6.496 1.00 0.00 C ATOM 538 CG GLU A 33 23.564 -2.422 4.974 1.00 0.00 C ATOM 539 CD GLU A 33 23.724 -3.801 4.364 1.00 0.00 C ATOM 540 OE1 GLU A 33 24.873 -4.193 4.077 1.00 0.00 O ATOM 541 OE2 GLU A 33 22.700 -4.488 4.173 1.00 0.00 O ATOM 542 OXT GLU A 33 23.235 -2.461 9.215 1.00 0.00 O ATOM 0 H GLU A 33 20.562 -3.315 6.163 1.00 0.00 H new ATOM 0 HA GLU A 33 22.476 -4.276 6.710 1.00 0.00 H new ATOM 0 HB2 GLU A 33 23.521 -1.425 6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 33 24.524 -2.862 6.837 1.00 0.00 H new ATOM 0 HG2 GLU A 33 22.628 -1.983 4.629 1.00 0.00 H new ATOM 0 HG3 GLU A 33 24.368 -1.777 4.620 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 -24.312 6.360 4.156 1.00 0.00 N ATOM 551 CA GLY B 1 -24.239 5.420 3.013 1.00 0.00 C ATOM 552 C GLY B 1 -22.980 4.586 3.058 1.00 0.00 C ATOM 553 O GLY B 1 -22.031 4.932 3.758 1.00 0.00 O ATOM 0 H1 GLY B 1 -25.117 6.106 4.763 1.00 0.00 H new ATOM 0 H2 GLY B 1 -23.432 6.305 4.707 1.00 0.00 H new ATOM 0 H3 GLY B 1 -24.438 7.329 3.801 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -25.110 4.765 3.024 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -24.272 5.980 2.078 1.00 0.00 H new ATOM 559 N SER B 2 -22.964 3.493 2.314 1.00 0.00 N ATOM 560 CA SER B 2 -21.824 2.590 2.309 1.00 0.00 C ATOM 561 C SER B 2 -20.735 3.070 1.354 1.00 0.00 C ATOM 562 O SER B 2 -19.549 2.901 1.627 1.00 0.00 O ATOM 563 CB SER B 2 -22.282 1.181 1.931 1.00 0.00 C ATOM 564 OG SER B 2 -23.154 1.211 0.810 1.00 0.00 O ATOM 0 H SER B 2 -23.730 3.208 1.704 1.00 0.00 H new ATOM 0 HA SER B 2 -21.398 2.574 3.312 1.00 0.00 H new ATOM 0 HB2 SER B 2 -21.414 0.562 1.704 1.00 0.00 H new ATOM 0 HB3 SER B 2 -22.790 0.720 2.779 1.00 0.00 H new ATOM 0 HG SER B 2 -23.431 0.298 0.587 1.00 0.00 H new ATOM 570 N MET B 3 -21.144 3.696 0.254 1.00 0.00 N ATOM 571 CA MET B 3 -20.217 4.080 -0.812 1.00 0.00 C ATOM 572 C MET B 3 -19.062 4.935 -0.295 1.00 0.00 C ATOM 573 O MET B 3 -17.903 4.667 -0.601 1.00 0.00 O ATOM 574 CB MET B 3 -20.952 4.830 -1.924 1.00 0.00 C ATOM 575 CG MET B 3 -21.995 3.992 -2.647 1.00 0.00 C ATOM 576 SD MET B 3 -21.300 2.526 -3.438 1.00 0.00 S ATOM 577 CE MET B 3 -20.154 3.271 -4.598 1.00 0.00 C ATOM 0 H MET B 3 -22.115 3.950 0.075 1.00 0.00 H new ATOM 0 HA MET B 3 -19.798 3.156 -1.210 1.00 0.00 H new ATOM 0 HB2 MET B 3 -21.437 5.708 -1.497 1.00 0.00 H new ATOM 0 HB3 MET B 3 -20.223 5.190 -2.650 1.00 0.00 H new ATOM 0 HG2 MET B 3 -22.762 3.685 -1.936 1.00 0.00 H new ATOM 0 HG3 MET B 3 -22.487 4.606 -3.401 1.00 0.00 H new ATOM 0 HE1 MET B 3 -19.876 2.539 -5.356 1.00 0.00 H new ATOM 0 HE2 MET B 3 -20.627 4.128 -5.078 1.00 0.00 H new ATOM 0 HE3 MET B 3 -19.261 3.601 -4.067 1.00 0.00 H new ATOM 587 N LYS B 4 -19.375 5.955 0.494 1.00 0.00 N ATOM 588 CA LYS B 4 -18.355 6.883 0.979 1.00 0.00 C ATOM 589 C LYS B 4 -17.559 6.298 2.138 1.00 0.00 C ATOM 590 O LYS B 4 -16.416 6.676 2.362 1.00 0.00 O ATOM 591 CB LYS B 4 -18.994 8.202 1.407 1.00 0.00 C ATOM 592 CG LYS B 4 -19.613 8.979 0.260 1.00 0.00 C ATOM 593 CD LYS B 4 -20.243 10.272 0.742 1.00 0.00 C ATOM 594 CE LYS B 4 -20.861 11.052 -0.404 1.00 0.00 C ATOM 595 NZ LYS B 4 -21.918 10.275 -1.103 1.00 0.00 N ATOM 0 H LYS B 4 -20.322 6.162 0.812 1.00 0.00 H new ATOM 0 HA LYS B 4 -17.665 7.063 0.154 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -19.762 7.998 2.153 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -18.238 8.822 1.889 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -18.849 9.201 -0.485 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -20.368 8.366 -0.231 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -21.008 10.050 1.486 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -19.488 10.884 1.234 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -21.286 11.980 -0.022 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -20.083 11.327 -1.116 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -22.471 10.911 -1.712 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -21.477 9.535 -1.686 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -22.546 9.834 -0.401 1.00 0.00 H new ATOM 609 N GLN B 5 -18.150 5.353 2.845 1.00 0.00 N ATOM 610 CA GLN B 5 -17.535 4.785 4.037 1.00 0.00 C ATOM 611 C GLN B 5 -16.606 3.656 3.647 1.00 0.00 C ATOM 612 O GLN B 5 -15.522 3.499 4.213 1.00 0.00 O ATOM 613 CB GLN B 5 -18.602 4.285 5.012 1.00 0.00 C ATOM 614 CG GLN B 5 -19.482 5.397 5.554 1.00 0.00 C ATOM 615 CD GLN B 5 -18.679 6.490 6.230 1.00 0.00 C ATOM 616 OE1 GLN B 5 -17.617 6.238 6.803 1.00 0.00 O ATOM 617 NE2 GLN B 5 -19.173 7.713 6.157 1.00 0.00 N ATOM 0 H GLN B 5 -19.062 4.958 2.615 1.00 0.00 H new ATOM 0 HA GLN B 5 -16.958 5.563 4.537 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -19.227 3.547 4.510 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -18.115 3.777 5.844 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -20.063 5.828 4.738 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -20.194 4.979 6.266 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -20.056 7.879 5.673 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -18.672 8.492 6.584 1.00 0.00 H new ATOM 626 N LEU B 6 -17.034 2.878 2.669 1.00 0.00 N ATOM 627 CA LEU B 6 -16.180 1.870 2.081 1.00 0.00 C ATOM 628 C LEU B 6 -15.047 2.562 1.345 1.00 0.00 C ATOM 629 O LEU B 6 -13.893 2.161 1.457 1.00 0.00 O ATOM 630 CB LEU B 6 -16.967 0.968 1.125 1.00 0.00 C ATOM 631 CG LEU B 6 -17.674 -0.252 1.748 1.00 0.00 C ATOM 632 CD1 LEU B 6 -16.665 -1.314 2.165 1.00 0.00 C ATOM 633 CD2 LEU B 6 -18.530 0.155 2.938 1.00 0.00 C ATOM 0 H LEU B 6 -17.970 2.928 2.267 1.00 0.00 H new ATOM 0 HA LEU B 6 -15.778 1.236 2.871 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -17.719 1.578 0.624 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -16.283 0.609 0.356 1.00 0.00 H new ATOM 0 HG LEU B 6 -18.328 -0.675 0.985 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -17.190 -2.164 2.601 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -16.103 -1.645 1.292 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -15.979 -0.895 2.901 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -19.016 -0.727 3.356 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -17.900 0.617 3.698 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -19.289 0.867 2.614 1.00 0.00 H new ATOM 645 N GLU B 7 -15.384 3.628 0.618 1.00 0.00 N ATOM 646 CA GLU B 7 -14.378 4.451 -0.040 1.00 0.00 C ATOM 647 C GLU B 7 -13.446 5.080 0.991 1.00 0.00 C ATOM 648 O GLU B 7 -12.251 5.228 0.741 1.00 0.00 O ATOM 649 CB GLU B 7 -15.029 5.539 -0.898 1.00 0.00 C ATOM 650 CG GLU B 7 -14.028 6.380 -1.677 1.00 0.00 C ATOM 651 CD GLU B 7 -14.690 7.415 -2.566 1.00 0.00 C ATOM 652 OE1 GLU B 7 -15.026 8.506 -2.062 1.00 0.00 O ATOM 653 OE2 GLU B 7 -14.870 7.134 -3.769 1.00 0.00 O ATOM 0 H GLU B 7 -16.345 3.938 0.472 1.00 0.00 H new ATOM 0 HA GLU B 7 -13.794 3.805 -0.696 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -15.722 5.072 -1.598 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -15.618 6.193 -0.255 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -13.362 6.883 -0.977 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -13.410 5.724 -2.290 1.00 0.00 H new ATOM 660 N ASP B 8 -13.990 5.446 2.157 1.00 0.00 N ATOM 661 CA ASP B 8 -13.149 5.959 3.246 1.00 0.00 C ATOM 662 C ASP B 8 -12.116 4.917 3.655 1.00 0.00 C ATOM 663 O ASP B 8 -10.996 5.252 4.029 1.00 0.00 O ATOM 664 CB ASP B 8 -13.975 6.364 4.474 1.00 0.00 C ATOM 665 CG ASP B 8 -14.579 7.750 4.351 1.00 0.00 C ATOM 666 OD1 ASP B 8 -13.876 8.661 3.870 1.00 0.00 O ATOM 667 OD2 ASP B 8 -15.749 7.925 4.751 1.00 0.00 O ATOM 0 H ASP B 8 -14.987 5.399 2.369 1.00 0.00 H new ATOM 0 HA ASP B 8 -12.648 6.850 2.867 1.00 0.00 H new ATOM 0 HB2 ASP B 8 -14.774 5.638 4.623 1.00 0.00 H new ATOM 0 HB3 ASP B 8 -13.341 6.327 5.360 1.00 0.00 H new ATOM 672 N LYS B 9 -12.502 3.650 3.567 1.00 0.00 N ATOM 673 CA LYS B 9 -11.618 2.549 3.919 1.00 0.00 C ATOM 674 C LYS B 9 -10.597 2.302 2.810 1.00 0.00 C ATOM 675 O LYS B 9 -9.425 2.027 3.082 1.00 0.00 O ATOM 676 CB LYS B 9 -12.437 1.283 4.189 1.00 0.00 C ATOM 677 CG LYS B 9 -11.603 0.075 4.590 1.00 0.00 C ATOM 678 CD LYS B 9 -12.470 -1.148 4.848 1.00 0.00 C ATOM 679 CE LYS B 9 -13.390 -0.951 6.045 1.00 0.00 C ATOM 680 NZ LYS B 9 -12.632 -0.696 7.300 1.00 0.00 N ATOM 0 H LYS B 9 -13.428 3.360 3.253 1.00 0.00 H new ATOM 0 HA LYS B 9 -11.075 2.814 4.826 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -13.158 1.492 4.980 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -13.008 1.035 3.294 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -10.884 -0.149 3.802 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -11.030 0.310 5.487 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -13.068 -1.362 3.962 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -11.832 -2.015 5.019 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -14.061 -0.114 5.851 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -14.013 -1.836 6.172 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -13.267 -0.803 8.117 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -11.850 -1.377 7.378 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -12.249 0.271 7.284 1.00 0.00 H new ATOM 694 N VAL B 10 -11.046 2.407 1.563 1.00 0.00 N ATOM 695 CA VAL B 10 -10.153 2.262 0.417 1.00 0.00 C ATOM 696 C VAL B 10 -9.086 3.353 0.456 1.00 0.00 C ATOM 697 O VAL B 10 -7.892 3.082 0.340 1.00 0.00 O ATOM 698 CB VAL B 10 -10.901 2.363 -0.936 1.00 0.00 C ATOM 699 CG1 VAL B 10 -10.005 1.902 -2.072 1.00 0.00 C ATOM 700 CG2 VAL B 10 -12.189 1.560 -0.940 1.00 0.00 C ATOM 0 H VAL B 10 -12.019 2.591 1.320 1.00 0.00 H new ATOM 0 HA VAL B 10 -9.707 1.270 0.488 1.00 0.00 H new ATOM 0 HB VAL B 10 -11.163 3.411 -1.079 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -10.545 1.979 -3.016 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -9.115 2.530 -2.111 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -9.711 0.866 -1.906 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -12.678 1.661 -1.909 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -11.963 0.510 -0.756 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -12.852 1.931 -0.158 1.00 0.00 H new ATOM 710 N GLU B 11 -9.529 4.589 0.660 1.00 0.00 N ATOM 711 CA GLU B 11 -8.632 5.739 0.679 1.00 0.00 C ATOM 712 C GLU B 11 -7.748 5.704 1.934 1.00 0.00 C ATOM 713 O GLU B 11 -6.702 6.345 1.985 1.00 0.00 O ATOM 714 CB GLU B 11 -9.455 7.034 0.628 1.00 0.00 C ATOM 715 CG GLU B 11 -8.784 8.196 -0.104 1.00 0.00 C ATOM 716 CD GLU B 11 -7.591 8.776 0.633 1.00 0.00 C ATOM 717 OE1 GLU B 11 -7.804 9.510 1.620 1.00 0.00 O ATOM 718 OE2 GLU B 11 -6.445 8.505 0.217 1.00 0.00 O ATOM 0 H GLU B 11 -10.510 4.821 0.815 1.00 0.00 H new ATOM 0 HA GLU B 11 -7.981 5.702 -0.194 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -10.409 6.822 0.145 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -9.677 7.346 1.648 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -8.461 7.856 -1.088 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -9.519 8.985 -0.265 1.00 0.00 H new ATOM 725 N GLU B 12 -8.169 4.946 2.936 1.00 0.00 N ATOM 726 CA GLU B 12 -7.382 4.777 4.150 1.00 0.00 C ATOM 727 C GLU B 12 -6.131 3.978 3.808 1.00 0.00 C ATOM 728 O GLU B 12 -5.026 4.284 4.263 1.00 0.00 O ATOM 729 CB GLU B 12 -8.212 4.063 5.224 1.00 0.00 C ATOM 730 CG GLU B 12 -7.892 4.484 6.653 1.00 0.00 C ATOM 731 CD GLU B 12 -6.496 4.094 7.102 1.00 0.00 C ATOM 732 OE1 GLU B 12 -6.293 2.912 7.447 1.00 0.00 O ATOM 733 OE2 GLU B 12 -5.610 4.972 7.115 1.00 0.00 O ATOM 0 H GLU B 12 -9.053 4.437 2.933 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.092 5.750 4.548 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.269 4.249 5.032 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -8.055 2.988 5.131 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -8.003 5.565 6.738 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -8.621 4.034 7.327 1.00 0.00 H new ATOM 740 N LEU B 13 -6.310 2.956 2.984 1.00 0.00 N ATOM 741 CA LEU B 13 -5.181 2.248 2.416 1.00 0.00 C ATOM 742 C LEU B 13 -4.438 3.182 1.482 1.00 0.00 C ATOM 743 O LEU B 13 -3.247 3.395 1.632 1.00 0.00 O ATOM 744 CB LEU B 13 -5.631 1.009 1.641 1.00 0.00 C ATOM 745 CG LEU B 13 -6.318 -0.075 2.466 1.00 0.00 C ATOM 746 CD1 LEU B 13 -6.725 -1.230 1.574 1.00 0.00 C ATOM 747 CD2 LEU B 13 -5.405 -0.569 3.572 1.00 0.00 C ATOM 0 H LEU B 13 -7.223 2.603 2.697 1.00 0.00 H new ATOM 0 HA LEU B 13 -4.533 1.920 3.229 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -6.312 1.325 0.851 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -4.759 0.571 1.154 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.210 0.355 2.922 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -7.214 -1.998 2.173 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -7.414 -0.873 0.809 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -5.840 -1.651 1.097 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -5.915 -1.341 4.147 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -4.496 -0.983 3.136 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.147 0.262 4.229 1.00 0.00 H new ATOM 759 N LEU B 14 -5.189 3.775 0.559 1.00 0.00 N ATOM 760 CA LEU B 14 -4.651 4.646 -0.484 1.00 0.00 C ATOM 761 C LEU B 14 -3.717 5.719 0.081 1.00 0.00 C ATOM 762 O LEU B 14 -2.737 6.101 -0.559 1.00 0.00 O ATOM 763 CB LEU B 14 -5.807 5.323 -1.215 1.00 0.00 C ATOM 764 CG LEU B 14 -5.552 5.660 -2.683 1.00 0.00 C ATOM 765 CD1 LEU B 14 -5.475 4.391 -3.517 1.00 0.00 C ATOM 766 CD2 LEU B 14 -6.641 6.577 -3.211 1.00 0.00 C ATOM 0 H LEU B 14 -6.202 3.663 0.513 1.00 0.00 H new ATOM 0 HA LEU B 14 -4.069 4.026 -1.166 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -6.681 4.674 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -6.058 6.243 -0.688 1.00 0.00 H new ATOM 0 HG LEU B 14 -4.596 6.178 -2.757 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -5.293 4.651 -4.560 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -4.661 3.765 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -6.416 3.846 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -6.446 6.808 -4.258 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -7.608 6.082 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -6.652 7.500 -2.631 1.00 0.00 H new ATOM 778 N SER B 15 -4.024 6.196 1.279 1.00 0.00 N ATOM 779 CA SER B 15 -3.239 7.250 1.902 1.00 0.00 C ATOM 780 C SER B 15 -1.916 6.710 2.436 1.00 0.00 C ATOM 781 O SER B 15 -0.870 7.350 2.273 1.00 0.00 O ATOM 782 CB SER B 15 -4.040 7.944 3.007 1.00 0.00 C ATOM 783 OG SER B 15 -4.745 7.005 3.798 1.00 0.00 O ATOM 0 H SER B 15 -4.812 5.869 1.839 1.00 0.00 H new ATOM 0 HA SER B 15 -3.007 7.992 1.138 1.00 0.00 H new ATOM 0 HB2 SER B 15 -3.366 8.522 3.639 1.00 0.00 H new ATOM 0 HB3 SER B 15 -4.743 8.648 2.562 1.00 0.00 H new ATOM 0 HG SER B 15 -5.582 6.763 3.350 1.00 0.00 H new ATOM 789 N LYS B 16 -1.929 5.536 3.063 1.00 0.00 N ATOM 790 CA LYS B 16 -0.663 4.946 3.472 1.00 0.00 C ATOM 791 C LYS B 16 0.056 4.361 2.270 1.00 0.00 C ATOM 792 O LYS B 16 1.269 4.363 2.236 1.00 0.00 O ATOM 793 CB LYS B 16 -0.781 3.906 4.593 1.00 0.00 C ATOM 794 CG LYS B 16 -1.508 2.616 4.243 1.00 0.00 C ATOM 795 CD LYS B 16 -1.099 1.510 5.209 1.00 0.00 C ATOM 796 CE LYS B 16 -2.036 0.317 5.164 1.00 0.00 C ATOM 797 NZ LYS B 16 -3.360 0.636 5.760 1.00 0.00 N ATOM 0 H LYS B 16 -2.764 4.996 3.290 1.00 0.00 H new ATOM 0 HA LYS B 16 -0.077 5.761 3.896 1.00 0.00 H new ATOM 0 HB2 LYS B 16 0.224 3.652 4.931 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -1.293 4.369 5.437 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -2.586 2.772 4.290 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -1.273 2.322 3.220 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -0.087 1.181 4.971 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -1.074 1.909 6.223 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -2.169 -0.002 4.130 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -1.587 -0.519 5.700 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -3.932 -0.231 5.820 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -3.226 1.029 6.713 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -3.850 1.333 5.164 1.00 0.00 H new ATOM 811 N ASN B 17 -0.696 3.880 1.282 1.00 0.00 N ATOM 812 CA ASN B 17 -0.123 3.464 -0.002 1.00 0.00 C ATOM 813 C ASN B 17 0.656 4.612 -0.603 1.00 0.00 C ATOM 814 O ASN B 17 1.739 4.421 -1.137 1.00 0.00 O ATOM 815 CB ASN B 17 -1.214 3.065 -0.996 1.00 0.00 C ATOM 816 CG ASN B 17 -1.848 1.735 -0.684 1.00 0.00 C ATOM 817 OD1 ASN B 17 -1.947 1.337 0.472 1.00 0.00 O ATOM 818 ND2 ASN B 17 -2.293 1.044 -1.718 1.00 0.00 N ATOM 0 H ASN B 17 -1.708 3.767 1.344 1.00 0.00 H new ATOM 0 HA ASN B 17 0.523 2.607 0.187 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -1.986 3.834 -1.005 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -0.787 3.030 -1.998 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -2.741 0.139 -1.572 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -2.189 1.415 -2.662 1.00 0.00 H new ATOM 825 N TYR B 18 0.083 5.810 -0.516 1.00 0.00 N ATOM 826 CA TYR B 18 0.745 7.009 -1.010 1.00 0.00 C ATOM 827 C TYR B 18 2.151 7.116 -0.422 1.00 0.00 C ATOM 828 O TYR B 18 3.128 7.331 -1.144 1.00 0.00 O ATOM 829 CB TYR B 18 -0.080 8.248 -0.652 1.00 0.00 C ATOM 830 CG TYR B 18 0.491 9.545 -1.177 1.00 0.00 C ATOM 831 CD1 TYR B 18 0.263 9.943 -2.487 1.00 0.00 C ATOM 832 CD2 TYR B 18 1.251 10.375 -0.360 1.00 0.00 C ATOM 833 CE1 TYR B 18 0.777 11.130 -2.970 1.00 0.00 C ATOM 834 CE2 TYR B 18 1.769 11.562 -0.837 1.00 0.00 C ATOM 835 CZ TYR B 18 1.529 11.935 -2.141 1.00 0.00 C ATOM 836 OH TYR B 18 2.042 13.117 -2.617 1.00 0.00 O ATOM 0 H TYR B 18 -0.837 5.974 -0.108 1.00 0.00 H new ATOM 0 HA TYR B 18 0.828 6.946 -2.095 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.090 8.124 -1.043 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.164 8.314 0.433 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.326 9.314 -3.139 1.00 0.00 H new ATOM 0 HD2 TYR B 18 1.439 10.086 0.664 1.00 0.00 H new ATOM 0 HE1 TYR B 18 0.591 11.426 -3.992 1.00 0.00 H new ATOM 0 HE2 TYR B 18 2.359 12.195 -0.191 1.00 0.00 H new ATOM 0 HH TYR B 18 2.546 13.565 -1.906 1.00 0.00 H new ATOM 846 N HIS B 19 2.244 6.923 0.884 1.00 0.00 N ATOM 847 CA HIS B 19 3.518 7.019 1.588 1.00 0.00 C ATOM 848 C HIS B 19 4.348 5.746 1.414 1.00 0.00 C ATOM 849 O HIS B 19 5.541 5.812 1.144 1.00 0.00 O ATOM 850 CB HIS B 19 3.279 7.296 3.074 1.00 0.00 C ATOM 851 CG HIS B 19 2.675 8.639 3.340 1.00 0.00 C ATOM 852 ND1 HIS B 19 1.334 8.826 3.602 1.00 0.00 N ATOM 853 CD2 HIS B 19 3.237 9.870 3.377 1.00 0.00 C ATOM 854 CE1 HIS B 19 1.101 10.111 3.788 1.00 0.00 C ATOM 855 NE2 HIS B 19 2.237 10.767 3.657 1.00 0.00 N ATOM 0 H HIS B 19 1.450 6.698 1.483 1.00 0.00 H new ATOM 0 HA HIS B 19 4.080 7.847 1.156 1.00 0.00 H new ATOM 0 HB2 HIS B 19 2.624 6.525 3.479 1.00 0.00 H new ATOM 0 HB3 HIS B 19 4.227 7.220 3.607 1.00 0.00 H new ATOM 0 HD1 HIS B 19 0.633 8.087 3.645 1.00 0.00 H new ATOM 0 HD2 HIS B 19 4.279 10.103 3.216 1.00 0.00 H new ATOM 0 HE1 HIS B 19 0.140 10.552 4.010 1.00 0.00 H new ATOM 864 N LEU B 20 3.699 4.598 1.553 1.00 0.00 N ATOM 865 CA LEU B 20 4.342 3.306 1.467 1.00 0.00 C ATOM 866 C LEU B 20 4.919 3.059 0.061 1.00 0.00 C ATOM 867 O LEU B 20 6.015 2.513 -0.080 1.00 0.00 O ATOM 868 CB LEU B 20 3.310 2.235 1.903 1.00 0.00 C ATOM 869 CG LEU B 20 3.601 0.793 1.528 1.00 0.00 C ATOM 870 CD1 LEU B 20 5.033 0.442 1.819 1.00 0.00 C ATOM 871 CD2 LEU B 20 2.702 -0.164 2.278 1.00 0.00 C ATOM 0 H LEU B 20 2.696 4.544 1.731 1.00 0.00 H new ATOM 0 HA LEU B 20 5.202 3.257 2.136 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.207 2.287 2.987 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.343 2.505 1.478 1.00 0.00 H new ATOM 0 HG LEU B 20 3.411 0.698 0.459 1.00 0.00 H new ATOM 0 HD11 LEU B 20 5.217 -0.596 1.542 1.00 0.00 H new ATOM 0 HD12 LEU B 20 5.691 1.093 1.244 1.00 0.00 H new ATOM 0 HD13 LEU B 20 5.231 0.574 2.883 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.936 -1.188 1.986 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.860 -0.047 3.350 1.00 0.00 H new ATOM 0 HD23 LEU B 20 1.661 0.052 2.039 1.00 0.00 H new ATOM 883 N GLU B 21 4.219 3.503 -0.974 1.00 0.00 N ATOM 884 CA GLU B 21 4.692 3.303 -2.335 1.00 0.00 C ATOM 885 C GLU B 21 5.876 4.222 -2.623 1.00 0.00 C ATOM 886 O GLU B 21 6.803 3.850 -3.348 1.00 0.00 O ATOM 887 CB GLU B 21 3.567 3.537 -3.342 1.00 0.00 C ATOM 888 CG GLU B 21 3.765 2.785 -4.644 1.00 0.00 C ATOM 889 CD GLU B 21 2.663 3.065 -5.646 1.00 0.00 C ATOM 890 OE1 GLU B 21 2.846 3.963 -6.494 1.00 0.00 O ATOM 891 OE2 GLU B 21 1.618 2.387 -5.583 1.00 0.00 O ATOM 0 H GLU B 21 3.331 3.999 -0.898 1.00 0.00 H new ATOM 0 HA GLU B 21 5.023 2.269 -2.437 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.620 3.234 -2.896 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.493 4.604 -3.554 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.726 3.062 -5.078 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.804 1.715 -4.440 1.00 0.00 H new ATOM 898 N ASN B 22 5.848 5.418 -2.042 1.00 0.00 N ATOM 899 CA ASN B 22 6.974 6.339 -2.149 1.00 0.00 C ATOM 900 C ASN B 22 8.126 5.869 -1.271 1.00 0.00 C ATOM 901 O ASN B 22 9.296 6.137 -1.562 1.00 0.00 O ATOM 902 CB ASN B 22 6.566 7.760 -1.754 1.00 0.00 C ATOM 903 CG ASN B 22 5.765 8.458 -2.834 1.00 0.00 C ATOM 904 OD1 ASN B 22 5.927 8.180 -4.023 1.00 0.00 O ATOM 905 ND2 ASN B 22 4.901 9.377 -2.434 1.00 0.00 N ATOM 0 H ASN B 22 5.062 5.770 -1.495 1.00 0.00 H new ATOM 0 HA ASN B 22 7.297 6.352 -3.190 1.00 0.00 H new ATOM 0 HB2 ASN B 22 5.978 7.723 -0.837 1.00 0.00 H new ATOM 0 HB3 ASN B 22 7.460 8.343 -1.536 1.00 0.00 H new ATOM 0 HD21 ASN B 22 4.341 9.883 -3.120 1.00 0.00 H new ATOM 0 HD22 ASN B 22 4.795 9.579 -1.440 1.00 0.00 H new ATOM 912 N GLU B 23 7.785 5.165 -0.197 1.00 0.00 N ATOM 913 CA GLU B 23 8.777 4.608 0.707 1.00 0.00 C ATOM 914 C GLU B 23 9.646 3.594 -0.027 1.00 0.00 C ATOM 915 O GLU B 23 10.872 3.623 0.091 1.00 0.00 O ATOM 916 CB GLU B 23 8.094 3.950 1.911 1.00 0.00 C ATOM 917 CG GLU B 23 9.056 3.456 2.981 1.00 0.00 C ATOM 918 CD GLU B 23 9.813 4.580 3.665 1.00 0.00 C ATOM 919 OE1 GLU B 23 9.282 5.141 4.645 1.00 0.00 O ATOM 920 OE2 GLU B 23 10.940 4.891 3.225 1.00 0.00 O ATOM 0 H GLU B 23 6.820 4.967 0.068 1.00 0.00 H new ATOM 0 HA GLU B 23 9.412 5.417 1.069 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.406 4.666 2.360 1.00 0.00 H new ATOM 0 HB3 GLU B 23 7.496 3.109 1.560 1.00 0.00 H new ATOM 0 HG2 GLU B 23 8.499 2.893 3.730 1.00 0.00 H new ATOM 0 HG3 GLU B 23 9.770 2.767 2.529 1.00 0.00 H new ATOM 927 N VAL B 24 9.010 2.706 -0.792 1.00 0.00 N ATOM 928 CA VAL B 24 9.754 1.742 -1.591 1.00 0.00 C ATOM 929 C VAL B 24 10.622 2.464 -2.614 1.00 0.00 C ATOM 930 O VAL B 24 11.805 2.169 -2.745 1.00 0.00 O ATOM 931 CB VAL B 24 8.845 0.732 -2.341 1.00 0.00 C ATOM 932 CG1 VAL B 24 9.655 -0.064 -3.347 1.00 0.00 C ATOM 933 CG2 VAL B 24 8.209 -0.226 -1.376 1.00 0.00 C ATOM 0 H VAL B 24 7.996 2.637 -0.873 1.00 0.00 H new ATOM 0 HA VAL B 24 10.366 1.178 -0.887 1.00 0.00 H new ATOM 0 HB VAL B 24 8.071 1.301 -2.856 1.00 0.00 H new ATOM 0 HG11 VAL B 24 9.003 -0.768 -3.864 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.104 0.615 -4.072 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.442 -0.612 -2.829 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.576 -0.926 -1.922 1.00 0.00 H new ATOM 0 HG22 VAL B 24 8.985 -0.777 -0.845 1.00 0.00 H new ATOM 0 HG23 VAL B 24 7.603 0.328 -0.659 1.00 0.00 H new ATOM 943 N ALA B 25 10.024 3.418 -3.324 1.00 0.00 N ATOM 944 CA ALA B 25 10.729 4.174 -4.359 1.00 0.00 C ATOM 945 C ALA B 25 12.002 4.809 -3.807 1.00 0.00 C ATOM 946 O ALA B 25 13.053 4.787 -4.453 1.00 0.00 O ATOM 947 CB ALA B 25 9.814 5.243 -4.943 1.00 0.00 C ATOM 0 H ALA B 25 9.048 3.688 -3.201 1.00 0.00 H new ATOM 0 HA ALA B 25 11.015 3.481 -5.150 1.00 0.00 H new ATOM 0 HB1 ALA B 25 10.349 5.799 -5.712 1.00 0.00 H new ATOM 0 HB2 ALA B 25 8.936 4.770 -5.382 1.00 0.00 H new ATOM 0 HB3 ALA B 25 9.501 5.926 -4.153 1.00 0.00 H new ATOM 953 N ARG B 26 11.899 5.367 -2.607 1.00 0.00 N ATOM 954 CA ARG B 26 13.048 5.949 -1.930 1.00 0.00 C ATOM 955 C ARG B 26 14.114 4.884 -1.691 1.00 0.00 C ATOM 956 O ARG B 26 15.241 5.000 -2.169 1.00 0.00 O ATOM 957 CB ARG B 26 12.612 6.569 -0.599 1.00 0.00 C ATOM 958 CG ARG B 26 13.757 7.147 0.219 1.00 0.00 C ATOM 959 CD ARG B 26 13.267 7.667 1.559 1.00 0.00 C ATOM 960 NE ARG B 26 14.362 8.126 2.411 1.00 0.00 N ATOM 961 CZ ARG B 26 14.264 8.271 3.733 1.00 0.00 C ATOM 962 NH1 ARG B 26 13.115 8.017 4.350 1.00 0.00 N ATOM 963 NH2 ARG B 26 15.314 8.671 4.439 1.00 0.00 N ATOM 0 H ARG B 26 11.027 5.428 -2.082 1.00 0.00 H new ATOM 0 HA ARG B 26 13.471 6.730 -2.561 1.00 0.00 H new ATOM 0 HB2 ARG B 26 11.887 7.358 -0.798 1.00 0.00 H new ATOM 0 HB3 ARG B 26 12.102 5.810 -0.006 1.00 0.00 H new ATOM 0 HG2 ARG B 26 14.516 6.381 0.379 1.00 0.00 H new ATOM 0 HG3 ARG B 26 14.232 7.956 -0.336 1.00 0.00 H new ATOM 0 HD2 ARG B 26 12.569 8.488 1.394 1.00 0.00 H new ATOM 0 HD3 ARG B 26 12.716 6.879 2.072 1.00 0.00 H new ATOM 0 HE ARG B 26 15.254 8.349 1.968 1.00 0.00 H new ATOM 0 HH11 ARG B 26 12.304 7.710 3.812 1.00 0.00 H new ATOM 0 HH12 ARG B 26 13.044 8.129 5.361 1.00 0.00 H new ATOM 0 HH21 ARG B 26 16.198 8.868 3.971 1.00 0.00 H new ATOM 0 HH22 ARG B 26 15.237 8.781 5.450 1.00 0.00 H new ATOM 977 N LEU B 27 13.731 3.828 -0.982 1.00 0.00 N ATOM 978 CA LEU B 27 14.653 2.751 -0.632 1.00 0.00 C ATOM 979 C LEU B 27 15.247 2.095 -1.874 1.00 0.00 C ATOM 980 O LEU B 27 16.408 1.690 -1.877 1.00 0.00 O ATOM 981 CB LEU B 27 13.939 1.690 0.204 1.00 0.00 C ATOM 982 CG LEU B 27 13.948 1.897 1.727 1.00 0.00 C ATOM 983 CD1 LEU B 27 13.712 3.354 2.094 1.00 0.00 C ATOM 984 CD2 LEU B 27 12.890 1.021 2.379 1.00 0.00 C ATOM 0 H LEU B 27 12.781 3.694 -0.636 1.00 0.00 H new ATOM 0 HA LEU B 27 15.463 3.193 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU B 27 12.902 1.636 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU B 27 14.393 0.723 -0.012 1.00 0.00 H new ATOM 0 HG LEU B 27 14.933 1.613 2.096 1.00 0.00 H new ATOM 0 HD11 LEU B 27 13.725 3.463 3.178 1.00 0.00 H new ATOM 0 HD12 LEU B 27 14.498 3.971 1.658 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.744 3.674 1.709 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.905 1.175 3.458 1.00 0.00 H new ATOM 0 HD22 LEU B 27 11.907 1.285 1.988 1.00 0.00 H new ATOM 0 HD23 LEU B 27 13.099 -0.026 2.159 1.00 0.00 H new ATOM 996 N LYS B 28 14.445 2.002 -2.924 1.00 0.00 N ATOM 997 CA LYS B 28 14.866 1.378 -4.169 1.00 0.00 C ATOM 998 C LYS B 28 16.007 2.164 -4.809 1.00 0.00 C ATOM 999 O LYS B 28 16.803 1.615 -5.564 1.00 0.00 O ATOM 1000 CB LYS B 28 13.680 1.278 -5.132 1.00 0.00 C ATOM 1001 CG LYS B 28 13.945 0.456 -6.386 1.00 0.00 C ATOM 1002 CD LYS B 28 14.144 -1.025 -6.082 1.00 0.00 C ATOM 1003 CE LYS B 28 15.616 -1.404 -6.034 1.00 0.00 C ATOM 1004 NZ LYS B 28 15.806 -2.876 -5.960 1.00 0.00 N ATOM 0 H LYS B 28 13.488 2.355 -2.937 1.00 0.00 H new ATOM 0 HA LYS B 28 15.228 0.374 -3.949 1.00 0.00 H new ATOM 0 HB2 LYS B 28 12.834 0.842 -4.601 1.00 0.00 H new ATOM 0 HB3 LYS B 28 13.385 2.284 -5.429 1.00 0.00 H new ATOM 0 HG2 LYS B 28 13.110 0.573 -7.076 1.00 0.00 H new ATOM 0 HG3 LYS B 28 14.831 0.843 -6.889 1.00 0.00 H new ATOM 0 HD2 LYS B 28 13.677 -1.265 -5.127 1.00 0.00 H new ATOM 0 HD3 LYS B 28 13.641 -1.622 -6.842 1.00 0.00 H new ATOM 0 HE2 LYS B 28 16.120 -1.017 -6.920 1.00 0.00 H new ATOM 0 HE3 LYS B 28 16.084 -0.933 -5.170 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 16.822 -3.094 -5.929 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 15.347 -3.243 -5.102 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 15.382 -3.323 -6.797 1.00 0.00 H new ATOM 1018 N LYS B 29 16.082 3.454 -4.508 1.00 0.00 N ATOM 1019 CA LYS B 29 17.189 4.278 -4.974 1.00 0.00 C ATOM 1020 C LYS B 29 18.364 4.170 -4.003 1.00 0.00 C ATOM 1021 O LYS B 29 19.526 4.114 -4.413 1.00 0.00 O ATOM 1022 CB LYS B 29 16.747 5.736 -5.114 1.00 0.00 C ATOM 1023 CG LYS B 29 17.836 6.649 -5.647 1.00 0.00 C ATOM 1024 CD LYS B 29 17.344 8.078 -5.789 1.00 0.00 C ATOM 1025 CE LYS B 29 18.441 8.994 -6.304 1.00 0.00 C ATOM 1026 NZ LYS B 29 19.603 9.046 -5.377 1.00 0.00 N ATOM 0 H LYS B 29 15.392 3.951 -3.945 1.00 0.00 H new ATOM 0 HA LYS B 29 17.506 3.919 -5.953 1.00 0.00 H new ATOM 0 HB2 LYS B 29 15.885 5.784 -5.780 1.00 0.00 H new ATOM 0 HB3 LYS B 29 16.419 6.103 -4.141 1.00 0.00 H new ATOM 0 HG2 LYS B 29 18.694 6.624 -4.976 1.00 0.00 H new ATOM 0 HG3 LYS B 29 18.178 6.283 -6.615 1.00 0.00 H new ATOM 0 HD2 LYS B 29 16.495 8.106 -6.472 1.00 0.00 H new ATOM 0 HD3 LYS B 29 16.989 8.440 -4.824 1.00 0.00 H new ATOM 0 HE2 LYS B 29 18.773 8.648 -7.283 1.00 0.00 H new ATOM 0 HE3 LYS B 29 18.041 9.999 -6.440 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 20.207 9.856 -5.623 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 19.263 9.151 -4.400 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 20.152 8.167 -5.459 1.00 0.00 H new ATOM 1040 N LEU B 30 18.041 4.121 -2.715 1.00 0.00 N ATOM 1041 CA LEU B 30 19.035 4.002 -1.655 1.00 0.00 C ATOM 1042 C LEU B 30 19.840 2.711 -1.779 1.00 0.00 C ATOM 1043 O LEU B 30 21.069 2.736 -1.745 1.00 0.00 O ATOM 1044 CB LEU B 30 18.356 4.073 -0.288 1.00 0.00 C ATOM 1045 CG LEU B 30 18.210 5.480 0.303 1.00 0.00 C ATOM 1046 CD1 LEU B 30 17.416 6.393 -0.616 1.00 0.00 C ATOM 1047 CD2 LEU B 30 17.562 5.415 1.676 1.00 0.00 C ATOM 0 H LEU B 30 17.080 4.163 -2.376 1.00 0.00 H new ATOM 0 HA LEU B 30 19.730 4.835 -1.755 1.00 0.00 H new ATOM 0 HB2 LEU B 30 17.365 3.628 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU B 30 18.923 3.460 0.413 1.00 0.00 H new ATOM 0 HG LEU B 30 19.210 5.901 0.405 1.00 0.00 H new ATOM 0 HD11 LEU B 30 17.333 7.381 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU B 30 17.925 6.475 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU B 30 16.419 5.979 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU B 30 17.466 6.422 2.081 1.00 0.00 H new ATOM 0 HD22 LEU B 30 16.574 4.962 1.591 1.00 0.00 H new ATOM 0 HD23 LEU B 30 18.181 4.814 2.342 1.00 0.00 H new ATOM 1059 N VAL B 31 19.153 1.585 -1.919 1.00 0.00 N ATOM 1060 CA VAL B 31 19.836 0.311 -2.115 1.00 0.00 C ATOM 1061 C VAL B 31 20.078 0.075 -3.606 1.00 0.00 C ATOM 1062 O VAL B 31 20.786 -0.850 -4.006 1.00 0.00 O ATOM 1063 CB VAL B 31 19.046 -0.877 -1.507 1.00 0.00 C ATOM 1064 CG1 VAL B 31 17.759 -1.154 -2.270 1.00 0.00 C ATOM 1065 CG2 VAL B 31 19.916 -2.122 -1.445 1.00 0.00 C ATOM 0 H VAL B 31 18.135 1.526 -1.901 1.00 0.00 H new ATOM 0 HA VAL B 31 20.791 0.366 -1.592 1.00 0.00 H new ATOM 0 HB VAL B 31 18.765 -0.597 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL B 31 17.237 -1.993 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL B 31 17.121 -0.270 -2.241 1.00 0.00 H new ATOM 0 HG13 VAL B 31 17.995 -1.397 -3.306 1.00 0.00 H new ATOM 0 HG21 VAL B 31 19.344 -2.945 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL B 31 20.239 -2.391 -2.451 1.00 0.00 H new ATOM 0 HG23 VAL B 31 20.790 -1.925 -0.824 1.00 0.00 H new ATOM 1075 N GLY B 32 19.488 0.936 -4.421 1.00 0.00 N ATOM 1076 CA GLY B 32 19.651 0.842 -5.855 1.00 0.00 C ATOM 1077 C GLY B 32 21.029 1.273 -6.299 1.00 0.00 C ATOM 1078 O GLY B 32 21.731 0.516 -6.969 1.00 0.00 O ATOM 0 H GLY B 32 18.894 1.705 -4.110 1.00 0.00 H new ATOM 0 HA2 GLY B 32 19.473 -0.185 -6.173 1.00 0.00 H new ATOM 0 HA3 GLY B 32 18.902 1.463 -6.346 1.00 0.00 H new ATOM 1082 N GLU B 33 21.412 2.488 -5.911 1.00 0.00 N ATOM 1083 CA GLU B 33 22.724 3.044 -6.236 1.00 0.00 C ATOM 1084 C GLU B 33 22.933 3.106 -7.745 1.00 0.00 C ATOM 1085 O GLU B 33 22.378 4.025 -8.382 1.00 0.00 O ATOM 1086 CB GLU B 33 23.838 2.224 -5.575 1.00 0.00 C ATOM 1087 CG GLU B 33 23.765 2.204 -4.057 1.00 0.00 C ATOM 1088 CD GLU B 33 23.912 3.586 -3.450 1.00 0.00 C ATOM 1089 OE1 GLU B 33 25.054 3.978 -3.136 1.00 0.00 O ATOM 1090 OE2 GLU B 33 22.883 4.276 -3.289 1.00 0.00 O ATOM 1091 OXT GLU B 33 23.651 2.239 -8.291 1.00 0.00 O ATOM 0 H GLU B 33 20.822 3.114 -5.363 1.00 0.00 H new ATOM 0 HA GLU B 33 22.763 4.061 -5.845 1.00 0.00 H new ATOM 0 HB2 GLU B 33 23.792 1.200 -5.945 1.00 0.00 H new ATOM 0 HB3 GLU B 33 24.804 2.629 -5.878 1.00 0.00 H new ATOM 0 HG2 GLU B 33 22.812 1.775 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU B 33 24.549 1.554 -3.667 1.00 0.00 H new TER 1098 GLU B 33