USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 495 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 4 HIS : no HE2:sc= -12.7! C(o=-16!,f=-27!) USER MOD Set 1.2: A 47 SER OG : rot -65:sc= -2.84! USER MOD Single : A 3 LYS NZ :NH3+ 165:sc= -0.657 (180deg=-1.33) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot -160:sc= -0.958 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 91:sc= 0.415 USER MOD Single : A 24 ASN : amide:sc= -5! C(o=-5!,f=-15!) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.395) USER MOD Single : A 30 LYS NZ :NH3+ -118:sc= 0.511 (180deg=-1.4) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 134:sc= -2.07 (180deg=-4.41!) USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= -1.15 (180deg=-1.75!) USER MOD Single : A 41 CYS SG : rot 180:sc= -0.292 USER MOD Single : A 44 SER OG : rot 180:sc= 0.537 USER MOD Single : A 46 HIS : no HD1:sc= -0.346 K(o=-0.35,f=-1.4) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.273 USER MOD Single : A 54 THR OG1 : rot -108:sc= -1.2! USER MOD Single : A 56 LYS NZ :NH3+ 151:sc= -0.117 (180deg=-0.862) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0611 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0255 USER MOD Single : A 63 SER OG : rot 87:sc= 0.00618 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -18.096 -16.795 -22.405 1.00 0.00 N ATOM 21 CA PRO A 2 -18.596 -15.700 -23.285 1.00 0.00 C ATOM 22 C PRO A 2 -17.882 -14.379 -23.013 1.00 0.00 C ATOM 23 O PRO A 2 -17.677 -14.001 -21.859 1.00 0.00 O ATOM 24 CB PRO A 2 -20.091 -15.586 -22.947 1.00 0.00 C ATOM 25 CG PRO A 2 -20.423 -16.761 -22.084 1.00 0.00 C ATOM 26 CD PRO A 2 -19.117 -17.233 -21.450 1.00 0.00 C ATOM 0 HA PRO A 2 -18.415 -15.919 -24.337 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -20.301 -14.651 -22.427 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -20.695 -15.588 -23.854 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -21.146 -16.484 -21.317 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -20.875 -17.558 -22.675 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -18.964 -16.788 -20.467 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -19.104 -18.315 -21.316 1.00 0.00 H new ATOM 34 N LYS A 3 -17.513 -13.679 -24.081 1.00 0.00 N ATOM 35 CA LYS A 3 -16.829 -12.400 -23.942 1.00 0.00 C ATOM 36 C LYS A 3 -17.846 -11.268 -23.814 1.00 0.00 C ATOM 37 O LYS A 3 -18.946 -11.351 -24.358 1.00 0.00 O ATOM 38 CB LYS A 3 -15.927 -12.156 -25.154 1.00 0.00 C ATOM 39 CG LYS A 3 -15.036 -13.381 -25.378 1.00 0.00 C ATOM 40 CD LYS A 3 -14.625 -13.456 -26.849 1.00 0.00 C ATOM 41 CE LYS A 3 -13.472 -14.449 -27.007 1.00 0.00 C ATOM 42 NZ LYS A 3 -13.490 -15.415 -25.872 1.00 0.00 N ATOM 0 H LYS A 3 -17.675 -13.973 -25.044 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.217 -12.426 -23.041 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.533 -11.966 -26.040 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -15.313 -11.270 -24.992 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -14.150 -13.319 -24.745 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -15.569 -14.288 -25.092 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.473 -13.767 -27.459 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -14.322 -12.471 -27.203 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.564 -14.982 -27.954 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.521 -13.917 -27.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -12.884 -16.229 -26.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.135 -14.948 -25.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.464 -15.742 -25.710 1.00 0.00 H new ATOM 56 N HIS A 4 -17.477 -10.216 -23.087 1.00 0.00 N ATOM 57 CA HIS A 4 -18.383 -9.088 -22.898 1.00 0.00 C ATOM 58 C HIS A 4 -17.802 -7.814 -23.503 1.00 0.00 C ATOM 59 O HIS A 4 -16.627 -7.501 -23.309 1.00 0.00 O ATOM 60 CB HIS A 4 -18.643 -8.875 -21.406 1.00 0.00 C ATOM 61 CG HIS A 4 -18.972 -10.194 -20.767 1.00 0.00 C ATOM 62 ND1 HIS A 4 -19.728 -11.161 -21.411 1.00 0.00 N ATOM 63 CD2 HIS A 4 -18.651 -10.724 -19.542 1.00 0.00 C ATOM 64 CE1 HIS A 4 -19.835 -12.213 -20.580 1.00 0.00 C ATOM 65 NE2 HIS A 4 -19.196 -11.999 -19.426 1.00 0.00 N ATOM 0 H HIS A 4 -16.572 -10.122 -22.626 1.00 0.00 H new ATOM 0 HA HIS A 4 -19.321 -9.315 -23.405 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -17.765 -8.436 -20.931 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -19.466 -8.174 -21.265 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -20.130 -11.088 -22.346 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -18.065 -10.227 -18.784 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -20.372 -13.120 -20.816 1.00 0.00 H new ATOM 73 N GLU A 5 -18.637 -7.082 -24.233 1.00 0.00 N ATOM 74 CA GLU A 5 -18.200 -5.841 -24.859 1.00 0.00 C ATOM 75 C GLU A 5 -18.905 -4.647 -24.224 1.00 0.00 C ATOM 76 O GLU A 5 -20.130 -4.636 -24.092 1.00 0.00 O ATOM 77 CB GLU A 5 -18.502 -5.877 -26.359 1.00 0.00 C ATOM 78 CG GLU A 5 -17.712 -7.014 -27.010 1.00 0.00 C ATOM 79 CD GLU A 5 -17.884 -6.967 -28.525 1.00 0.00 C ATOM 80 OE1 GLU A 5 -17.996 -5.874 -29.055 1.00 0.00 O ATOM 81 OE2 GLU A 5 -17.900 -8.025 -29.132 1.00 0.00 O ATOM 0 H GLU A 5 -19.613 -7.325 -24.405 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.125 -5.738 -24.709 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -19.570 -6.021 -26.523 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -18.235 -4.925 -26.818 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.656 -6.928 -26.753 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -18.057 -7.974 -26.626 1.00 0.00 H new ATOM 88 N PHE A 6 -18.126 -3.646 -23.830 1.00 0.00 N ATOM 89 CA PHE A 6 -18.687 -2.455 -23.206 1.00 0.00 C ATOM 90 C PHE A 6 -18.039 -1.195 -23.769 1.00 0.00 C ATOM 91 O PHE A 6 -16.828 -1.152 -23.988 1.00 0.00 O ATOM 92 CB PHE A 6 -18.469 -2.510 -21.690 1.00 0.00 C ATOM 93 CG PHE A 6 -19.760 -2.890 -21.008 1.00 0.00 C ATOM 94 CD1 PHE A 6 -20.255 -4.192 -21.130 1.00 0.00 C ATOM 95 CD2 PHE A 6 -20.461 -1.940 -20.256 1.00 0.00 C ATOM 96 CE1 PHE A 6 -21.452 -4.546 -20.498 1.00 0.00 C ATOM 97 CE2 PHE A 6 -21.658 -2.293 -19.624 1.00 0.00 C ATOM 98 CZ PHE A 6 -22.154 -3.597 -19.745 1.00 0.00 C ATOM 0 H PHE A 6 -17.111 -3.635 -23.931 1.00 0.00 H new ATOM 0 HA PHE A 6 -19.755 -2.425 -23.421 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -17.692 -3.235 -21.450 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -18.125 -1.542 -21.326 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -19.714 -4.924 -21.712 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -20.078 -0.935 -20.164 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -21.835 -5.552 -20.591 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -22.199 -1.561 -19.043 1.00 0.00 H new ATOM 0 HZ PHE A 6 -23.078 -3.871 -19.257 1.00 0.00 H new ATOM 108 N SER A 7 -18.851 -0.167 -23.989 1.00 0.00 N ATOM 109 CA SER A 7 -18.348 1.095 -24.516 1.00 0.00 C ATOM 110 C SER A 7 -18.350 2.152 -23.417 1.00 0.00 C ATOM 111 O SER A 7 -19.408 2.549 -22.929 1.00 0.00 O ATOM 112 CB SER A 7 -19.217 1.562 -25.684 1.00 0.00 C ATOM 113 OG SER A 7 -18.487 1.425 -26.895 1.00 0.00 O ATOM 0 H SER A 7 -19.855 -0.183 -23.812 1.00 0.00 H new ATOM 0 HA SER A 7 -17.328 0.947 -24.871 1.00 0.00 H new ATOM 0 HB2 SER A 7 -20.133 0.973 -25.729 1.00 0.00 H new ATOM 0 HB3 SER A 7 -19.513 2.601 -25.540 1.00 0.00 H new ATOM 0 HG SER A 7 -19.041 1.722 -27.647 1.00 0.00 H new ATOM 119 N VAL A 8 -17.162 2.593 -23.022 1.00 0.00 N ATOM 120 CA VAL A 8 -17.047 3.591 -21.966 1.00 0.00 C ATOM 121 C VAL A 8 -16.127 4.732 -22.383 1.00 0.00 C ATOM 122 O VAL A 8 -14.988 4.507 -22.793 1.00 0.00 O ATOM 123 CB VAL A 8 -16.493 2.937 -20.700 1.00 0.00 C ATOM 124 CG1 VAL A 8 -15.292 2.063 -21.065 1.00 0.00 C ATOM 125 CG2 VAL A 8 -16.050 4.024 -19.719 1.00 0.00 C ATOM 0 H VAL A 8 -16.273 2.279 -23.412 1.00 0.00 H new ATOM 0 HA VAL A 8 -18.040 3.998 -21.776 1.00 0.00 H new ATOM 0 HB VAL A 8 -17.266 2.322 -20.239 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.895 1.595 -20.164 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.604 1.290 -21.767 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.519 2.680 -21.524 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.655 3.560 -18.816 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.276 4.637 -20.180 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.903 4.651 -19.461 1.00 0.00 H new ATOM 135 N ASP A 9 -16.619 5.960 -22.254 1.00 0.00 N ATOM 136 CA ASP A 9 -15.820 7.127 -22.599 1.00 0.00 C ATOM 137 C ASP A 9 -14.955 7.513 -21.408 1.00 0.00 C ATOM 138 O ASP A 9 -15.466 7.916 -20.363 1.00 0.00 O ATOM 139 CB ASP A 9 -16.729 8.296 -22.984 1.00 0.00 C ATOM 140 CG ASP A 9 -16.330 8.837 -24.353 1.00 0.00 C ATOM 141 OD1 ASP A 9 -16.407 8.085 -25.311 1.00 0.00 O ATOM 142 OD2 ASP A 9 -15.951 9.995 -24.424 1.00 0.00 O ATOM 0 H ASP A 9 -17.558 6.170 -21.916 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.183 6.887 -23.450 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -17.769 7.969 -23.002 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -16.656 9.086 -22.236 1.00 0.00 H new ATOM 147 N MET A 10 -13.643 7.370 -21.558 1.00 0.00 N ATOM 148 CA MET A 10 -12.728 7.690 -20.472 1.00 0.00 C ATOM 149 C MET A 10 -12.721 9.186 -20.182 1.00 0.00 C ATOM 150 O MET A 10 -12.332 9.993 -21.025 1.00 0.00 O ATOM 151 CB MET A 10 -11.312 7.228 -20.828 1.00 0.00 C ATOM 152 CG MET A 10 -11.369 5.840 -21.472 1.00 0.00 C ATOM 153 SD MET A 10 -10.370 4.683 -20.501 1.00 0.00 S ATOM 154 CE MET A 10 -11.336 3.193 -20.853 1.00 0.00 C ATOM 0 H MET A 10 -13.194 7.038 -22.412 1.00 0.00 H new ATOM 0 HA MET A 10 -13.069 7.168 -19.578 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.849 7.938 -21.513 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.692 7.199 -19.932 1.00 0.00 H new ATOM 0 HG2 MET A 10 -12.401 5.493 -21.522 1.00 0.00 H new ATOM 0 HG3 MET A 10 -10.998 5.887 -22.496 1.00 0.00 H new ATOM 0 HE1 MET A 10 -10.888 2.340 -20.343 1.00 0.00 H new ATOM 0 HE2 MET A 10 -12.358 3.331 -20.501 1.00 0.00 H new ATOM 0 HE3 MET A 10 -11.344 3.010 -21.927 1.00 0.00 H new ATOM 164 N THR A 11 -13.142 9.543 -18.973 1.00 0.00 N ATOM 165 CA THR A 11 -13.169 10.940 -18.560 1.00 0.00 C ATOM 166 C THR A 11 -12.089 11.185 -17.512 1.00 0.00 C ATOM 167 O THR A 11 -11.453 12.238 -17.487 1.00 0.00 O ATOM 168 CB THR A 11 -14.542 11.294 -17.981 1.00 0.00 C ATOM 169 OG1 THR A 11 -15.471 11.467 -19.041 1.00 0.00 O ATOM 170 CG2 THR A 11 -14.438 12.589 -17.174 1.00 0.00 C ATOM 0 H THR A 11 -13.468 8.886 -18.264 1.00 0.00 H new ATOM 0 HA THR A 11 -12.980 11.570 -19.429 1.00 0.00 H new ATOM 0 HB THR A 11 -14.881 10.489 -17.329 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.350 11.692 -18.672 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.415 12.841 -16.762 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.725 12.454 -16.360 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.099 13.396 -17.823 1.00 0.00 H new ATOM 178 N CYS A 12 -11.887 10.189 -16.653 1.00 0.00 N ATOM 179 CA CYS A 12 -10.879 10.278 -15.605 1.00 0.00 C ATOM 180 C CYS A 12 -9.572 9.664 -16.080 1.00 0.00 C ATOM 181 O CYS A 12 -8.778 9.185 -15.276 1.00 0.00 O ATOM 182 CB CYS A 12 -11.370 9.551 -14.351 1.00 0.00 C ATOM 183 SG CYS A 12 -12.162 10.738 -13.238 1.00 0.00 S ATOM 0 H CYS A 12 -12.409 9.312 -16.664 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.708 11.328 -15.368 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -12.075 8.766 -14.625 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.534 9.066 -13.848 1.00 0.00 H new ATOM 0 HG CYS A 12 -12.199 10.247 -12.035 1.00 0.00 H new ATOM 189 N GLY A 13 -9.361 9.684 -17.397 1.00 0.00 N ATOM 190 CA GLY A 13 -8.146 9.127 -17.992 1.00 0.00 C ATOM 191 C GLY A 13 -7.078 8.877 -16.935 1.00 0.00 C ATOM 192 O GLY A 13 -6.520 7.785 -16.847 1.00 0.00 O ATOM 0 H GLY A 13 -10.016 10.080 -18.071 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.383 8.193 -18.501 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.761 9.812 -18.747 1.00 0.00 H new ATOM 196 N GLY A 14 -6.806 9.897 -16.128 1.00 0.00 N ATOM 197 CA GLY A 14 -5.810 9.776 -15.072 1.00 0.00 C ATOM 198 C GLY A 14 -6.251 8.753 -14.029 1.00 0.00 C ATOM 199 O GLY A 14 -5.523 7.808 -13.726 1.00 0.00 O ATOM 0 H GLY A 14 -7.258 10.810 -16.185 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.853 9.477 -15.500 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.657 10.745 -14.596 1.00 0.00 H new ATOM 203 N CYS A 15 -7.448 8.951 -13.482 1.00 0.00 N ATOM 204 CA CYS A 15 -7.979 8.044 -12.472 1.00 0.00 C ATOM 205 C CYS A 15 -8.702 6.862 -13.119 1.00 0.00 C ATOM 206 O CYS A 15 -8.622 5.736 -12.630 1.00 0.00 O ATOM 207 CB CYS A 15 -8.945 8.794 -11.552 1.00 0.00 C ATOM 208 SG CYS A 15 -8.068 9.314 -10.057 1.00 0.00 S ATOM 0 H CYS A 15 -8.065 9.728 -13.721 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.142 7.660 -11.889 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.355 9.663 -12.067 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.786 8.153 -11.289 1.00 0.00 H new ATOM 0 HG CYS A 15 -8.886 9.954 -9.274 1.00 0.00 H new ATOM 214 N ALA A 16 -9.412 7.123 -14.215 1.00 0.00 N ATOM 215 CA ALA A 16 -10.144 6.063 -14.906 1.00 0.00 C ATOM 216 C ALA A 16 -9.212 4.907 -15.255 1.00 0.00 C ATOM 217 O ALA A 16 -9.610 3.744 -15.206 1.00 0.00 O ATOM 218 CB ALA A 16 -10.777 6.611 -16.187 1.00 0.00 C ATOM 0 H ALA A 16 -9.496 8.047 -14.639 1.00 0.00 H new ATOM 0 HA ALA A 16 -10.927 5.698 -14.241 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.320 5.814 -16.694 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.467 7.417 -15.936 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.996 6.993 -16.844 1.00 0.00 H new ATOM 224 N GLU A 17 -7.972 5.233 -15.605 1.00 0.00 N ATOM 225 CA GLU A 17 -6.997 4.206 -15.953 1.00 0.00 C ATOM 226 C GLU A 17 -6.733 3.304 -14.752 1.00 0.00 C ATOM 227 O GLU A 17 -6.672 2.081 -14.880 1.00 0.00 O ATOM 228 CB GLU A 17 -5.689 4.852 -16.412 1.00 0.00 C ATOM 229 CG GLU A 17 -5.657 4.909 -17.940 1.00 0.00 C ATOM 230 CD GLU A 17 -6.836 5.726 -18.457 1.00 0.00 C ATOM 231 OE1 GLU A 17 -7.962 5.323 -18.213 1.00 0.00 O ATOM 232 OE2 GLU A 17 -6.597 6.741 -19.089 1.00 0.00 O ATOM 0 H GLU A 17 -7.621 6.189 -15.655 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.401 3.605 -16.768 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.602 5.857 -15.998 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.839 4.280 -16.041 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.720 5.354 -18.276 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.695 3.900 -18.351 1.00 0.00 H new ATOM 239 N ALA A 18 -6.584 3.919 -13.582 1.00 0.00 N ATOM 240 CA ALA A 18 -6.337 3.165 -12.359 1.00 0.00 C ATOM 241 C ALA A 18 -7.543 2.291 -12.029 1.00 0.00 C ATOM 242 O ALA A 18 -7.406 1.214 -11.451 1.00 0.00 O ATOM 243 CB ALA A 18 -6.063 4.126 -11.199 1.00 0.00 C ATOM 0 H ALA A 18 -6.630 4.930 -13.456 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.466 2.527 -12.510 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.879 3.555 -10.289 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.188 4.734 -11.429 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.927 4.775 -11.052 1.00 0.00 H new ATOM 249 N VAL A 19 -8.725 2.769 -12.407 1.00 0.00 N ATOM 250 CA VAL A 19 -9.959 2.032 -12.158 1.00 0.00 C ATOM 251 C VAL A 19 -9.964 0.719 -12.934 1.00 0.00 C ATOM 252 O VAL A 19 -10.452 -0.299 -12.446 1.00 0.00 O ATOM 253 CB VAL A 19 -11.164 2.879 -12.571 1.00 0.00 C ATOM 254 CG1 VAL A 19 -12.351 1.968 -12.889 1.00 0.00 C ATOM 255 CG2 VAL A 19 -11.539 3.818 -11.422 1.00 0.00 C ATOM 0 H VAL A 19 -8.854 3.661 -12.885 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.021 1.810 -11.093 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.910 3.462 -13.456 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.207 2.575 -13.183 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.086 1.296 -13.705 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.607 1.383 -12.006 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -12.398 4.424 -11.712 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.791 3.230 -10.539 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.695 4.470 -11.195 1.00 0.00 H new ATOM 265 N SER A 20 -9.430 0.751 -14.148 1.00 0.00 N ATOM 266 CA SER A 20 -9.389 -0.444 -14.984 1.00 0.00 C ATOM 267 C SER A 20 -8.655 -1.578 -14.274 1.00 0.00 C ATOM 268 O SER A 20 -8.999 -2.749 -14.438 1.00 0.00 O ATOM 269 CB SER A 20 -8.690 -0.132 -16.307 1.00 0.00 C ATOM 270 OG SER A 20 -8.843 1.249 -16.606 1.00 0.00 O ATOM 0 H SER A 20 -9.022 1.583 -14.574 1.00 0.00 H new ATOM 0 HA SER A 20 -10.414 -0.759 -15.178 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.632 -0.386 -16.241 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.114 -0.738 -17.107 1.00 0.00 H new ATOM 0 HG SER A 20 -8.093 1.751 -16.224 1.00 0.00 H new ATOM 276 N ARG A 21 -7.643 -1.227 -13.488 1.00 0.00 N ATOM 277 CA ARG A 21 -6.872 -2.232 -12.762 1.00 0.00 C ATOM 278 C ARG A 21 -7.725 -2.894 -11.682 1.00 0.00 C ATOM 279 O ARG A 21 -7.821 -4.119 -11.617 1.00 0.00 O ATOM 280 CB ARG A 21 -5.647 -1.581 -12.117 1.00 0.00 C ATOM 281 CG ARG A 21 -4.786 -0.926 -13.199 1.00 0.00 C ATOM 282 CD ARG A 21 -3.441 -0.509 -12.602 1.00 0.00 C ATOM 283 NE ARG A 21 -2.539 -0.063 -13.658 1.00 0.00 N ATOM 284 CZ ARG A 21 -1.843 -0.935 -14.381 1.00 0.00 C ATOM 285 NH1 ARG A 21 -1.959 -2.214 -14.150 1.00 0.00 N ATOM 286 NH2 ARG A 21 -1.043 -0.511 -15.321 1.00 0.00 N ATOM 0 H ARG A 21 -7.339 -0.265 -13.337 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.551 -2.996 -13.471 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.961 -0.835 -11.387 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.066 -2.330 -11.579 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.629 -1.621 -14.024 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.299 -0.056 -13.609 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.589 0.292 -11.877 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.998 -1.347 -12.065 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.441 0.935 -13.845 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.584 -2.545 -13.415 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.425 -2.883 -14.705 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.952 0.489 -15.501 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.509 -1.180 -15.876 1.00 0.00 H new ATOM 300 N VAL A 22 -8.339 -2.071 -10.837 1.00 0.00 N ATOM 301 CA VAL A 22 -9.181 -2.581 -9.758 1.00 0.00 C ATOM 302 C VAL A 22 -10.329 -3.420 -10.314 1.00 0.00 C ATOM 303 O VAL A 22 -10.932 -4.214 -9.593 1.00 0.00 O ATOM 304 CB VAL A 22 -9.737 -1.422 -8.922 1.00 0.00 C ATOM 305 CG1 VAL A 22 -8.772 -0.237 -8.978 1.00 0.00 C ATOM 306 CG2 VAL A 22 -11.103 -0.992 -9.469 1.00 0.00 C ATOM 0 H VAL A 22 -8.271 -1.054 -10.877 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.566 -3.216 -9.120 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.850 -1.752 -7.889 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.170 0.585 -8.383 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.803 -0.538 -8.579 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.654 0.088 -10.012 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.492 -0.168 -8.870 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.995 -0.669 -10.504 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.795 -1.833 -9.422 1.00 0.00 H new ATOM 316 N LEU A 23 -10.634 -3.231 -11.594 1.00 0.00 N ATOM 317 CA LEU A 23 -11.724 -3.970 -12.223 1.00 0.00 C ATOM 318 C LEU A 23 -11.475 -5.472 -12.146 1.00 0.00 C ATOM 319 O LEU A 23 -12.415 -6.259 -12.026 1.00 0.00 O ATOM 320 CB LEU A 23 -11.879 -3.550 -13.685 1.00 0.00 C ATOM 321 CG LEU A 23 -13.040 -4.330 -14.312 1.00 0.00 C ATOM 322 CD1 LEU A 23 -13.638 -3.527 -15.469 1.00 0.00 C ATOM 323 CD2 LEU A 23 -12.543 -5.684 -14.831 1.00 0.00 C ATOM 0 H LEU A 23 -10.148 -2.580 -12.211 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.643 -3.738 -11.684 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.068 -2.478 -13.750 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.957 -3.745 -14.232 1.00 0.00 H new ATOM 0 HG LEU A 23 -13.805 -4.496 -13.553 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -14.463 -4.086 -15.911 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -14.006 -2.571 -15.097 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -12.872 -3.352 -16.224 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -13.375 -6.231 -15.275 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.771 -5.524 -15.584 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -12.129 -6.261 -14.004 1.00 0.00 H new ATOM 335 N ASN A 24 -10.210 -5.868 -12.213 1.00 0.00 N ATOM 336 CA ASN A 24 -9.863 -7.281 -12.147 1.00 0.00 C ATOM 337 C ASN A 24 -10.484 -7.917 -10.907 1.00 0.00 C ATOM 338 O ASN A 24 -10.794 -9.107 -10.896 1.00 0.00 O ATOM 339 CB ASN A 24 -8.343 -7.449 -12.102 1.00 0.00 C ATOM 340 CG ASN A 24 -7.670 -6.341 -12.904 1.00 0.00 C ATOM 341 OD1 ASN A 24 -8.347 -5.468 -13.448 1.00 0.00 O ATOM 342 ND2 ASN A 24 -6.369 -6.323 -13.010 1.00 0.00 N ATOM 0 H ASN A 24 -9.415 -5.237 -12.312 1.00 0.00 H new ATOM 0 HA ASN A 24 -10.252 -7.776 -13.037 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.997 -7.423 -11.069 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.065 -8.422 -12.507 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.911 -5.585 -13.544 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.810 -7.047 -12.558 1.00 0.00 H new ATOM 349 N LYS A 25 -10.664 -7.113 -9.865 1.00 0.00 N ATOM 350 CA LYS A 25 -11.253 -7.606 -8.625 1.00 0.00 C ATOM 351 C LYS A 25 -12.710 -8.007 -8.843 1.00 0.00 C ATOM 352 O LYS A 25 -13.150 -9.058 -8.378 1.00 0.00 O ATOM 353 CB LYS A 25 -11.171 -6.527 -7.544 1.00 0.00 C ATOM 354 CG LYS A 25 -12.091 -6.896 -6.380 1.00 0.00 C ATOM 355 CD LYS A 25 -11.748 -6.029 -5.166 1.00 0.00 C ATOM 356 CE LYS A 25 -12.920 -6.044 -4.183 1.00 0.00 C ATOM 357 NZ LYS A 25 -13.283 -7.455 -3.866 1.00 0.00 N ATOM 0 H LYS A 25 -10.413 -6.124 -9.853 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.694 -8.485 -8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.144 -6.428 -7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.461 -5.561 -7.958 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.133 -6.747 -6.664 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.976 -7.951 -6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.847 -6.404 -4.680 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.538 -5.007 -5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.650 -5.513 -3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.776 -5.525 -4.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.864 -7.479 -3.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.821 -7.861 -4.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.417 -8.011 -3.715 1.00 0.00 H new ATOM 371 N LEU A 26 -13.454 -7.163 -9.554 1.00 0.00 N ATOM 372 CA LEU A 26 -14.860 -7.440 -9.827 1.00 0.00 C ATOM 373 C LEU A 26 -14.996 -8.561 -10.855 1.00 0.00 C ATOM 374 O LEU A 26 -15.893 -9.399 -10.758 1.00 0.00 O ATOM 375 CB LEU A 26 -15.550 -6.178 -10.353 1.00 0.00 C ATOM 376 CG LEU A 26 -16.846 -5.934 -9.576 1.00 0.00 C ATOM 377 CD1 LEU A 26 -17.693 -7.208 -9.577 1.00 0.00 C ATOM 378 CD2 LEU A 26 -16.509 -5.549 -8.133 1.00 0.00 C ATOM 0 H LEU A 26 -13.109 -6.288 -9.949 1.00 0.00 H new ATOM 0 HA LEU A 26 -15.335 -7.754 -8.898 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.886 -5.320 -10.250 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -15.767 -6.287 -11.416 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.405 -5.127 -10.049 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.615 -7.032 -9.023 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -17.933 -7.484 -10.604 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -17.135 -8.016 -9.105 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.431 -5.375 -7.578 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -15.949 -6.357 -7.662 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -15.907 -4.641 -8.130 1.00 0.00 H new ATOM 390 N GLY A 27 -14.102 -8.569 -11.838 1.00 0.00 N ATOM 391 CA GLY A 27 -14.133 -9.591 -12.877 1.00 0.00 C ATOM 392 C GLY A 27 -13.099 -10.679 -12.607 1.00 0.00 C ATOM 393 O GLY A 27 -13.439 -11.855 -12.483 1.00 0.00 O ATOM 0 H GLY A 27 -13.352 -7.885 -11.937 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.128 -10.034 -12.926 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.940 -9.134 -13.847 1.00 0.00 H new ATOM 397 N GLY A 28 -11.834 -10.278 -12.522 1.00 0.00 N ATOM 398 CA GLY A 28 -10.757 -11.229 -12.271 1.00 0.00 C ATOM 399 C GLY A 28 -10.622 -12.200 -13.435 1.00 0.00 C ATOM 400 O GLY A 28 -10.321 -13.379 -13.245 1.00 0.00 O ATOM 0 H GLY A 28 -11.531 -9.309 -12.622 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.818 -10.694 -12.125 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.957 -11.779 -11.352 1.00 0.00 H new ATOM 404 N VAL A 29 -10.851 -11.695 -14.640 1.00 0.00 N ATOM 405 CA VAL A 29 -10.761 -12.521 -15.837 1.00 0.00 C ATOM 406 C VAL A 29 -10.056 -11.767 -16.954 1.00 0.00 C ATOM 407 O VAL A 29 -9.517 -10.680 -16.745 1.00 0.00 O ATOM 408 CB VAL A 29 -12.163 -12.924 -16.292 1.00 0.00 C ATOM 409 CG1 VAL A 29 -12.140 -14.349 -16.856 1.00 0.00 C ATOM 410 CG2 VAL A 29 -13.117 -12.866 -15.097 1.00 0.00 C ATOM 0 H VAL A 29 -11.100 -10.721 -14.814 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.184 -13.415 -15.601 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.501 -12.238 -17.069 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.143 -14.629 -17.178 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.460 -14.393 -17.707 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.801 -15.040 -16.085 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.119 -13.153 -15.417 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.773 -13.552 -14.323 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.140 -11.852 -14.699 1.00 0.00 H new ATOM 420 N LYS A 30 -10.061 -12.359 -18.136 1.00 0.00 N ATOM 421 CA LYS A 30 -9.417 -11.752 -19.294 1.00 0.00 C ATOM 422 C LYS A 30 -9.972 -10.356 -19.551 1.00 0.00 C ATOM 423 O LYS A 30 -11.186 -10.152 -19.570 1.00 0.00 O ATOM 424 CB LYS A 30 -9.632 -12.626 -20.530 1.00 0.00 C ATOM 425 CG LYS A 30 -8.858 -12.035 -21.710 1.00 0.00 C ATOM 426 CD LYS A 30 -8.493 -13.151 -22.691 1.00 0.00 C ATOM 427 CE LYS A 30 -9.768 -13.841 -23.177 1.00 0.00 C ATOM 428 NZ LYS A 30 -9.986 -15.090 -22.394 1.00 0.00 N ATOM 0 H LYS A 30 -10.503 -13.259 -18.322 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.350 -11.671 -19.088 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.295 -13.644 -20.333 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.694 -12.683 -20.769 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.461 -11.278 -22.212 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.955 -11.539 -21.354 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.944 -12.740 -23.538 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.837 -13.875 -22.207 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.622 -13.173 -23.062 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.686 -14.074 -24.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.958 -15.910 -23.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.239 -15.185 -21.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.913 -15.048 -21.925 1.00 0.00 H new ATOM 442 N TYR A 31 -9.072 -9.400 -19.750 1.00 0.00 N ATOM 443 CA TYR A 31 -9.478 -8.023 -20.007 1.00 0.00 C ATOM 444 C TYR A 31 -8.471 -7.320 -20.916 1.00 0.00 C ATOM 445 O TYR A 31 -7.313 -7.728 -21.006 1.00 0.00 O ATOM 446 CB TYR A 31 -9.597 -7.255 -18.689 1.00 0.00 C ATOM 447 CG TYR A 31 -8.230 -7.113 -18.061 1.00 0.00 C ATOM 448 CD1 TYR A 31 -7.544 -8.248 -17.612 1.00 0.00 C ATOM 449 CD2 TYR A 31 -7.648 -5.846 -17.928 1.00 0.00 C ATOM 450 CE1 TYR A 31 -6.278 -8.116 -17.030 1.00 0.00 C ATOM 451 CE2 TYR A 31 -6.381 -5.714 -17.346 1.00 0.00 C ATOM 452 CZ TYR A 31 -5.696 -6.850 -16.897 1.00 0.00 C ATOM 453 OH TYR A 31 -4.448 -6.721 -16.322 1.00 0.00 O ATOM 0 H TYR A 31 -8.063 -9.551 -19.739 1.00 0.00 H new ATOM 0 HA TYR A 31 -10.447 -8.043 -20.506 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.030 -6.271 -18.867 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.268 -7.780 -18.009 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.992 -9.225 -17.715 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.177 -4.970 -18.274 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.750 -8.992 -16.683 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -5.933 -4.737 -17.244 1.00 0.00 H new ATOM 0 HH TYR A 31 -4.191 -5.776 -16.308 1.00 0.00 H new ATOM 463 N ASP A 32 -8.924 -6.261 -21.584 1.00 0.00 N ATOM 464 CA ASP A 32 -8.056 -5.504 -22.481 1.00 0.00 C ATOM 465 C ASP A 32 -8.493 -4.043 -22.534 1.00 0.00 C ATOM 466 O ASP A 32 -9.678 -3.744 -22.679 1.00 0.00 O ATOM 467 CB ASP A 32 -8.101 -6.105 -23.886 1.00 0.00 C ATOM 468 CG ASP A 32 -8.334 -7.610 -23.802 1.00 0.00 C ATOM 469 OD1 ASP A 32 -9.486 -8.010 -23.764 1.00 0.00 O ATOM 470 OD2 ASP A 32 -7.358 -8.340 -23.777 1.00 0.00 O ATOM 0 H ASP A 32 -9.880 -5.910 -21.522 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.036 -5.555 -22.101 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.897 -5.637 -24.465 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.166 -5.902 -24.408 1.00 0.00 H new ATOM 475 N ILE A 33 -7.529 -3.136 -22.412 1.00 0.00 N ATOM 476 CA ILE A 33 -7.827 -1.708 -22.443 1.00 0.00 C ATOM 477 C ILE A 33 -7.120 -1.029 -23.613 1.00 0.00 C ATOM 478 O ILE A 33 -5.896 -0.897 -23.614 1.00 0.00 O ATOM 479 CB ILE A 33 -7.379 -1.063 -21.131 1.00 0.00 C ATOM 480 CG1 ILE A 33 -8.417 -1.357 -20.040 1.00 0.00 C ATOM 481 CG2 ILE A 33 -7.238 0.450 -21.323 1.00 0.00 C ATOM 482 CD1 ILE A 33 -9.438 -0.220 -19.969 1.00 0.00 C ATOM 0 H ILE A 33 -6.542 -3.362 -22.292 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.902 -1.583 -22.569 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.415 -1.474 -20.832 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.923 -2.299 -20.252 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.921 -1.472 -19.076 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.919 0.907 -20.387 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.497 0.651 -22.096 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.198 0.870 -21.623 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -10.171 -0.437 -19.192 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.927 0.714 -19.735 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.945 -0.125 -20.929 1.00 0.00 H new ATOM 494 N ASP A 34 -7.895 -0.595 -24.604 1.00 0.00 N ATOM 495 CA ASP A 34 -7.320 0.074 -25.767 1.00 0.00 C ATOM 496 C ASP A 34 -7.738 1.541 -25.801 1.00 0.00 C ATOM 497 O ASP A 34 -8.844 1.875 -26.229 1.00 0.00 O ATOM 498 CB ASP A 34 -7.782 -0.620 -27.050 1.00 0.00 C ATOM 499 CG ASP A 34 -6.775 -1.692 -27.453 1.00 0.00 C ATOM 500 OD1 ASP A 34 -5.641 -1.337 -27.728 1.00 0.00 O ATOM 501 OD2 ASP A 34 -7.153 -2.851 -27.480 1.00 0.00 O ATOM 0 H ASP A 34 -8.910 -0.693 -24.626 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.234 0.018 -25.695 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.763 -1.070 -26.897 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.888 0.111 -27.851 1.00 0.00 H new ATOM 506 N LEU A 35 -6.843 2.412 -25.347 1.00 0.00 N ATOM 507 CA LEU A 35 -7.117 3.845 -25.324 1.00 0.00 C ATOM 508 C LEU A 35 -7.353 4.387 -26.732 1.00 0.00 C ATOM 509 O LEU A 35 -8.268 5.179 -26.958 1.00 0.00 O ATOM 510 CB LEU A 35 -5.945 4.590 -24.677 1.00 0.00 C ATOM 511 CG LEU A 35 -6.416 5.275 -23.392 1.00 0.00 C ATOM 512 CD1 LEU A 35 -7.524 6.276 -23.725 1.00 0.00 C ATOM 513 CD2 LEU A 35 -6.955 4.222 -22.419 1.00 0.00 C ATOM 0 H LEU A 35 -5.923 2.152 -24.991 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.023 4.005 -24.739 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.137 3.893 -24.454 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.545 5.330 -25.370 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.578 5.799 -22.932 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.860 6.764 -22.810 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.141 7.026 -24.417 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.362 5.752 -24.185 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.290 4.710 -21.504 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.793 3.697 -22.878 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.166 3.508 -22.181 1.00 0.00 H new ATOM 525 N PRO A 36 -6.534 3.992 -27.670 1.00 0.00 N ATOM 526 CA PRO A 36 -6.637 4.459 -29.085 1.00 0.00 C ATOM 527 C PRO A 36 -8.036 4.282 -29.670 1.00 0.00 C ATOM 528 O PRO A 36 -8.453 5.049 -30.537 1.00 0.00 O ATOM 529 CB PRO A 36 -5.627 3.588 -29.836 1.00 0.00 C ATOM 530 CG PRO A 36 -4.654 3.119 -28.806 1.00 0.00 C ATOM 531 CD PRO A 36 -5.415 3.054 -27.482 1.00 0.00 C ATOM 0 HA PRO A 36 -6.436 5.527 -29.164 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.120 2.746 -30.321 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.125 4.157 -30.619 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.252 2.141 -29.070 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.808 3.802 -28.733 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.770 2.045 -27.275 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.784 3.348 -26.644 1.00 0.00 H new ATOM 539 N ASN A 37 -8.751 3.266 -29.205 1.00 0.00 N ATOM 540 CA ASN A 37 -10.096 3.008 -29.709 1.00 0.00 C ATOM 541 C ASN A 37 -11.154 3.420 -28.691 1.00 0.00 C ATOM 542 O ASN A 37 -12.353 3.321 -28.957 1.00 0.00 O ATOM 543 CB ASN A 37 -10.251 1.521 -30.041 1.00 0.00 C ATOM 544 CG ASN A 37 -10.262 1.322 -31.553 1.00 0.00 C ATOM 545 OD1 ASN A 37 -11.246 1.653 -32.215 1.00 0.00 O ATOM 546 ND2 ASN A 37 -9.220 0.803 -32.142 1.00 0.00 N ATOM 0 H ASN A 37 -8.429 2.614 -28.489 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.240 3.602 -30.612 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.433 0.954 -29.597 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -11.175 1.138 -29.609 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.219 0.671 -33.153 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.406 0.530 -31.591 1.00 0.00 H new ATOM 553 N LYS A 38 -10.711 3.876 -27.524 1.00 0.00 N ATOM 554 CA LYS A 38 -11.642 4.292 -26.481 1.00 0.00 C ATOM 555 C LYS A 38 -12.652 3.183 -26.207 1.00 0.00 C ATOM 556 O LYS A 38 -13.835 3.446 -25.988 1.00 0.00 O ATOM 557 CB LYS A 38 -12.381 5.562 -26.912 1.00 0.00 C ATOM 558 CG LYS A 38 -11.500 6.373 -27.864 1.00 0.00 C ATOM 559 CD LYS A 38 -11.968 7.830 -27.880 1.00 0.00 C ATOM 560 CE LYS A 38 -13.422 7.897 -28.355 1.00 0.00 C ATOM 561 NZ LYS A 38 -14.331 7.635 -27.204 1.00 0.00 N ATOM 0 H LYS A 38 -9.725 3.966 -27.278 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.078 4.496 -25.571 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.318 5.300 -27.403 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.635 6.161 -26.037 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.458 6.318 -27.547 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.550 5.953 -28.869 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.880 8.262 -26.883 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.332 8.420 -28.540 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.632 8.878 -28.782 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.593 7.163 -29.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.098 8.338 -27.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.736 6.681 -27.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.795 7.703 -26.316 1.00 0.00 H new ATOM 575 N LYS A 39 -12.176 1.942 -26.226 1.00 0.00 N ATOM 576 CA LYS A 39 -13.045 0.797 -25.985 1.00 0.00 C ATOM 577 C LYS A 39 -12.378 -0.192 -25.036 1.00 0.00 C ATOM 578 O LYS A 39 -11.154 -0.225 -24.916 1.00 0.00 O ATOM 579 CB LYS A 39 -13.361 0.094 -27.308 1.00 0.00 C ATOM 580 CG LYS A 39 -14.346 0.936 -28.123 1.00 0.00 C ATOM 581 CD LYS A 39 -15.379 0.017 -28.778 1.00 0.00 C ATOM 582 CE LYS A 39 -16.097 0.770 -29.899 1.00 0.00 C ATOM 583 NZ LYS A 39 -15.747 2.217 -29.831 1.00 0.00 N ATOM 0 H LYS A 39 -11.200 1.705 -26.405 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.968 1.157 -25.531 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.444 -0.060 -27.876 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.785 -0.891 -27.114 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.844 1.659 -27.477 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.812 1.503 -28.885 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.889 -0.871 -29.178 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.100 -0.324 -28.035 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.810 0.361 -30.868 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.175 0.641 -29.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.371 2.755 -30.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.868 2.558 -28.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.758 2.349 -30.124 1.00 0.00 H new ATOM 597 N VAL A 40 -13.194 -1.001 -24.369 1.00 0.00 N ATOM 598 CA VAL A 40 -12.675 -1.994 -23.438 1.00 0.00 C ATOM 599 C VAL A 40 -13.398 -3.321 -23.629 1.00 0.00 C ATOM 600 O VAL A 40 -14.617 -3.402 -23.480 1.00 0.00 O ATOM 601 CB VAL A 40 -12.865 -1.507 -22.001 1.00 0.00 C ATOM 602 CG1 VAL A 40 -12.107 -2.428 -21.043 1.00 0.00 C ATOM 603 CG2 VAL A 40 -12.325 -0.081 -21.872 1.00 0.00 C ATOM 0 H VAL A 40 -14.210 -0.989 -24.455 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.612 -2.137 -23.633 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.926 -1.519 -21.751 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.243 -2.080 -20.019 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.491 -3.444 -21.135 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.046 -2.417 -21.292 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -12.460 0.268 -20.848 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.264 -0.070 -22.123 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.866 0.576 -22.553 1.00 0.00 H new ATOM 613 N CYS A 41 -12.639 -4.361 -23.957 1.00 0.00 N ATOM 614 CA CYS A 41 -13.224 -5.681 -24.162 1.00 0.00 C ATOM 615 C CYS A 41 -12.823 -6.616 -23.029 1.00 0.00 C ATOM 616 O CYS A 41 -11.649 -6.952 -22.875 1.00 0.00 O ATOM 617 CB CYS A 41 -12.750 -6.258 -25.496 1.00 0.00 C ATOM 618 SG CYS A 41 -11.198 -5.460 -25.977 1.00 0.00 S ATOM 0 H CYS A 41 -11.628 -4.317 -24.086 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.310 -5.585 -24.175 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -12.606 -7.335 -25.409 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -13.507 -6.098 -26.264 1.00 0.00 H new ATOM 0 HG CYS A 41 -10.791 -5.950 -27.110 1.00 0.00 H new ATOM 624 N ILE A 42 -13.802 -7.025 -22.232 1.00 0.00 N ATOM 625 CA ILE A 42 -13.531 -7.911 -21.110 1.00 0.00 C ATOM 626 C ILE A 42 -14.445 -9.133 -21.139 1.00 0.00 C ATOM 627 O ILE A 42 -15.655 -9.011 -21.329 1.00 0.00 O ATOM 628 CB ILE A 42 -13.720 -7.141 -19.801 1.00 0.00 C ATOM 629 CG1 ILE A 42 -14.278 -8.068 -18.713 1.00 0.00 C ATOM 630 CG2 ILE A 42 -14.697 -5.988 -20.036 1.00 0.00 C ATOM 631 CD1 ILE A 42 -14.125 -7.402 -17.345 1.00 0.00 C ATOM 0 H ILE A 42 -14.781 -6.760 -22.341 1.00 0.00 H new ATOM 0 HA ILE A 42 -12.502 -8.264 -21.184 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.756 -6.753 -19.472 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -15.328 -8.284 -18.908 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -13.749 -9.021 -18.726 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -14.837 -5.435 -19.107 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -14.296 -5.321 -20.799 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -15.656 -6.386 -20.369 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -14.522 -8.061 -16.573 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.070 -7.209 -17.150 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -14.674 -6.460 -17.335 1.00 0.00 H new ATOM 643 N GLU A 43 -13.859 -10.305 -20.923 1.00 0.00 N ATOM 644 CA GLU A 43 -14.632 -11.538 -20.897 1.00 0.00 C ATOM 645 C GLU A 43 -14.679 -12.062 -19.470 1.00 0.00 C ATOM 646 O GLU A 43 -13.648 -12.408 -18.900 1.00 0.00 O ATOM 647 CB GLU A 43 -13.985 -12.584 -21.808 1.00 0.00 C ATOM 648 CG GLU A 43 -14.715 -13.921 -21.658 1.00 0.00 C ATOM 649 CD GLU A 43 -13.811 -14.934 -20.964 1.00 0.00 C ATOM 650 OE1 GLU A 43 -12.740 -15.197 -21.484 1.00 0.00 O ATOM 651 OE2 GLU A 43 -14.205 -15.433 -19.922 1.00 0.00 O ATOM 0 H GLU A 43 -12.859 -10.426 -20.765 1.00 0.00 H new ATOM 0 HA GLU A 43 -15.643 -11.340 -21.253 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -14.025 -12.251 -22.845 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.932 -12.703 -21.551 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -15.630 -13.783 -21.081 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.010 -14.296 -22.638 1.00 0.00 H new ATOM 658 N SER A 44 -15.872 -12.105 -18.890 1.00 0.00 N ATOM 659 CA SER A 44 -16.010 -12.573 -17.518 1.00 0.00 C ATOM 660 C SER A 44 -17.199 -13.509 -17.368 1.00 0.00 C ATOM 661 O SER A 44 -18.070 -13.577 -18.235 1.00 0.00 O ATOM 662 CB SER A 44 -16.183 -11.379 -16.579 1.00 0.00 C ATOM 663 OG SER A 44 -17.168 -11.688 -15.602 1.00 0.00 O ATOM 0 H SER A 44 -16.744 -11.826 -19.340 1.00 0.00 H new ATOM 0 HA SER A 44 -15.105 -13.123 -17.259 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.236 -11.143 -16.095 1.00 0.00 H new ATOM 0 HB3 SER A 44 -16.480 -10.496 -17.145 1.00 0.00 H new ATOM 0 HG SER A 44 -17.280 -10.925 -14.998 1.00 0.00 H new ATOM 669 N GLU A 45 -17.219 -14.227 -16.253 1.00 0.00 N ATOM 670 CA GLU A 45 -18.292 -15.165 -15.970 1.00 0.00 C ATOM 671 C GLU A 45 -19.552 -14.422 -15.533 1.00 0.00 C ATOM 672 O GLU A 45 -20.666 -14.919 -15.695 1.00 0.00 O ATOM 673 CB GLU A 45 -17.845 -16.119 -14.865 1.00 0.00 C ATOM 674 CG GLU A 45 -16.332 -16.334 -14.965 1.00 0.00 C ATOM 675 CD GLU A 45 -15.960 -17.695 -14.386 1.00 0.00 C ATOM 676 OE1 GLU A 45 -16.538 -18.064 -13.377 1.00 0.00 O ATOM 677 OE2 GLU A 45 -15.103 -18.346 -14.959 1.00 0.00 O ATOM 0 H GLU A 45 -16.502 -14.176 -15.530 1.00 0.00 H new ATOM 0 HA GLU A 45 -18.521 -15.728 -16.875 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.102 -15.709 -13.888 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.366 -17.072 -14.958 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.016 -16.274 -16.006 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.808 -15.545 -14.426 1.00 0.00 H new ATOM 684 N HIS A 46 -19.366 -13.226 -14.981 1.00 0.00 N ATOM 685 CA HIS A 46 -20.495 -12.422 -14.528 1.00 0.00 C ATOM 686 C HIS A 46 -21.224 -11.815 -15.720 1.00 0.00 C ATOM 687 O HIS A 46 -22.327 -12.236 -16.067 1.00 0.00 O ATOM 688 CB HIS A 46 -20.006 -11.305 -13.603 1.00 0.00 C ATOM 689 CG HIS A 46 -20.948 -11.167 -12.439 1.00 0.00 C ATOM 690 ND1 HIS A 46 -22.273 -10.791 -12.601 1.00 0.00 N ATOM 691 CD2 HIS A 46 -20.773 -11.351 -11.090 1.00 0.00 C ATOM 692 CE1 HIS A 46 -22.837 -10.760 -11.380 1.00 0.00 C ATOM 693 NE2 HIS A 46 -21.966 -11.093 -10.423 1.00 0.00 N ATOM 0 H HIS A 46 -18.452 -12.796 -14.838 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.183 -13.067 -13.981 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -19.001 -11.528 -13.246 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -19.948 -10.364 -14.151 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -19.849 -11.651 -10.618 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -23.868 -10.498 -11.196 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -22.139 -11.147 -9.419 1.00 0.00 H new ATOM 701 N SER A 47 -20.596 -10.830 -16.344 1.00 0.00 N ATOM 702 CA SER A 47 -21.185 -10.172 -17.504 1.00 0.00 C ATOM 703 C SER A 47 -22.308 -9.230 -17.081 1.00 0.00 C ATOM 704 O SER A 47 -23.409 -9.671 -16.752 1.00 0.00 O ATOM 705 CB SER A 47 -21.738 -11.219 -18.470 1.00 0.00 C ATOM 706 OG SER A 47 -21.081 -12.459 -18.245 1.00 0.00 O ATOM 0 H SER A 47 -19.682 -10.469 -16.069 1.00 0.00 H new ATOM 0 HA SER A 47 -20.407 -9.590 -17.998 1.00 0.00 H new ATOM 0 HB2 SER A 47 -22.812 -11.332 -18.326 1.00 0.00 H new ATOM 0 HB3 SER A 47 -21.587 -10.896 -19.500 1.00 0.00 H new ATOM 0 HG SER A 47 -20.131 -12.371 -18.467 1.00 0.00 H new ATOM 712 N MET A 48 -22.024 -7.933 -17.096 1.00 0.00 N ATOM 713 CA MET A 48 -23.021 -6.939 -16.716 1.00 0.00 C ATOM 714 C MET A 48 -23.105 -6.815 -15.199 1.00 0.00 C ATOM 715 O MET A 48 -24.167 -7.003 -14.606 1.00 0.00 O ATOM 716 CB MET A 48 -24.390 -7.328 -17.280 1.00 0.00 C ATOM 717 CG MET A 48 -25.175 -6.062 -17.635 1.00 0.00 C ATOM 718 SD MET A 48 -26.905 -6.495 -17.958 1.00 0.00 S ATOM 719 CE MET A 48 -27.556 -4.807 -18.027 1.00 0.00 C ATOM 0 H MET A 48 -21.119 -7.547 -17.365 1.00 0.00 H new ATOM 0 HA MET A 48 -22.721 -5.976 -17.129 1.00 0.00 H new ATOM 0 HB2 MET A 48 -24.266 -7.952 -18.165 1.00 0.00 H new ATOM 0 HB3 MET A 48 -24.942 -7.918 -16.548 1.00 0.00 H new ATOM 0 HG2 MET A 48 -25.115 -5.343 -16.818 1.00 0.00 H new ATOM 0 HG3 MET A 48 -24.739 -5.584 -18.512 1.00 0.00 H new ATOM 0 HE1 MET A 48 -28.628 -4.838 -18.220 1.00 0.00 H new ATOM 0 HE2 MET A 48 -27.373 -4.307 -17.076 1.00 0.00 H new ATOM 0 HE3 MET A 48 -27.059 -4.258 -18.827 1.00 0.00 H new ATOM 729 N ASP A 49 -21.976 -6.491 -14.584 1.00 0.00 N ATOM 730 CA ASP A 49 -21.916 -6.333 -13.137 1.00 0.00 C ATOM 731 C ASP A 49 -20.535 -5.840 -12.722 1.00 0.00 C ATOM 732 O ASP A 49 -20.405 -4.980 -11.851 1.00 0.00 O ATOM 733 CB ASP A 49 -22.213 -7.668 -12.452 1.00 0.00 C ATOM 734 CG ASP A 49 -22.484 -7.441 -10.969 1.00 0.00 C ATOM 735 OD1 ASP A 49 -21.539 -7.158 -10.251 1.00 0.00 O ATOM 736 OD2 ASP A 49 -23.632 -7.555 -10.572 1.00 0.00 O ATOM 0 H ASP A 49 -21.090 -6.332 -15.064 1.00 0.00 H new ATOM 0 HA ASP A 49 -22.663 -5.600 -12.833 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -23.076 -8.143 -12.920 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -21.369 -8.346 -12.577 1.00 0.00 H new ATOM 741 N THR A 50 -19.509 -6.397 -13.352 1.00 0.00 N ATOM 742 CA THR A 50 -18.132 -6.023 -13.050 1.00 0.00 C ATOM 743 C THR A 50 -17.743 -4.713 -13.738 1.00 0.00 C ATOM 744 O THR A 50 -17.108 -3.846 -13.136 1.00 0.00 O ATOM 745 CB THR A 50 -17.179 -7.132 -13.510 1.00 0.00 C ATOM 746 OG1 THR A 50 -15.906 -6.570 -13.790 1.00 0.00 O ATOM 747 CG2 THR A 50 -17.725 -7.802 -14.776 1.00 0.00 C ATOM 0 H THR A 50 -19.603 -7.110 -14.076 1.00 0.00 H new ATOM 0 HA THR A 50 -18.055 -5.884 -11.972 1.00 0.00 H new ATOM 0 HB THR A 50 -17.090 -7.878 -12.720 1.00 0.00 H new ATOM 0 HG1 THR A 50 -15.294 -7.277 -14.083 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.041 -8.588 -15.095 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.703 -8.235 -14.566 1.00 0.00 H new ATOM 0 HG23 THR A 50 -17.820 -7.060 -15.569 1.00 0.00 H new ATOM 755 N LEU A 51 -18.101 -4.599 -15.009 1.00 0.00 N ATOM 756 CA LEU A 51 -17.765 -3.420 -15.804 1.00 0.00 C ATOM 757 C LEU A 51 -18.458 -2.153 -15.303 1.00 0.00 C ATOM 758 O LEU A 51 -17.813 -1.134 -15.069 1.00 0.00 O ATOM 759 CB LEU A 51 -18.164 -3.654 -17.262 1.00 0.00 C ATOM 760 CG LEU A 51 -18.024 -5.137 -17.609 1.00 0.00 C ATOM 761 CD1 LEU A 51 -18.189 -5.322 -19.117 1.00 0.00 C ATOM 762 CD2 LEU A 51 -16.639 -5.631 -17.182 1.00 0.00 C ATOM 0 H LEU A 51 -18.627 -5.311 -15.516 1.00 0.00 H new ATOM 0 HA LEU A 51 -16.689 -3.271 -15.711 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -19.192 -3.329 -17.423 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -17.534 -3.056 -17.921 1.00 0.00 H new ATOM 0 HG LEU A 51 -18.791 -5.709 -17.086 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -18.090 -6.378 -19.367 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -19.174 -4.968 -19.421 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -17.421 -4.752 -19.640 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -16.538 -6.688 -17.429 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -15.872 -5.061 -17.706 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -16.520 -5.496 -16.107 1.00 0.00 H new ATOM 774 N LEU A 52 -19.777 -2.216 -15.192 1.00 0.00 N ATOM 775 CA LEU A 52 -20.573 -1.061 -14.781 1.00 0.00 C ATOM 776 C LEU A 52 -20.111 -0.460 -13.454 1.00 0.00 C ATOM 777 O LEU A 52 -19.878 0.745 -13.366 1.00 0.00 O ATOM 778 CB LEU A 52 -22.038 -1.477 -14.652 1.00 0.00 C ATOM 779 CG LEU A 52 -22.114 -2.952 -14.239 1.00 0.00 C ATOM 780 CD1 LEU A 52 -23.406 -3.203 -13.456 1.00 0.00 C ATOM 781 CD2 LEU A 52 -22.091 -3.853 -15.481 1.00 0.00 C ATOM 0 H LEU A 52 -20.323 -3.056 -15.381 1.00 0.00 H new ATOM 0 HA LEU A 52 -20.445 -0.297 -15.548 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -22.541 -0.854 -13.912 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -22.555 -1.326 -15.600 1.00 0.00 H new ATOM 0 HG LEU A 52 -21.253 -3.185 -13.612 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -23.457 -4.252 -13.164 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -23.418 -2.577 -12.564 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -24.264 -2.959 -14.082 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -22.145 -4.897 -15.174 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -22.944 -3.617 -16.118 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -21.167 -3.685 -16.035 1.00 0.00 H new ATOM 793 N ALA A 53 -20.002 -1.284 -12.422 1.00 0.00 N ATOM 794 CA ALA A 53 -19.594 -0.787 -11.111 1.00 0.00 C ATOM 795 C ALA A 53 -18.145 -0.309 -11.119 1.00 0.00 C ATOM 796 O ALA A 53 -17.822 0.731 -10.546 1.00 0.00 O ATOM 797 CB ALA A 53 -19.763 -1.886 -10.061 1.00 0.00 C ATOM 0 H ALA A 53 -20.187 -2.286 -12.462 1.00 0.00 H new ATOM 0 HA ALA A 53 -20.231 0.062 -10.864 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -19.457 -1.508 -9.086 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -20.808 -2.192 -10.019 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -19.145 -2.743 -10.328 1.00 0.00 H new ATOM 803 N THR A 54 -17.276 -1.081 -11.754 1.00 0.00 N ATOM 804 CA THR A 54 -15.864 -0.736 -11.809 1.00 0.00 C ATOM 805 C THR A 54 -15.620 0.511 -12.657 1.00 0.00 C ATOM 806 O THR A 54 -14.943 1.440 -12.218 1.00 0.00 O ATOM 807 CB THR A 54 -15.084 -1.921 -12.370 1.00 0.00 C ATOM 808 OG1 THR A 54 -15.584 -2.249 -13.659 1.00 0.00 O ATOM 809 CG2 THR A 54 -15.256 -3.117 -11.430 1.00 0.00 C ATOM 0 H THR A 54 -17.522 -1.946 -12.236 1.00 0.00 H new ATOM 0 HA THR A 54 -15.522 -0.510 -10.799 1.00 0.00 H new ATOM 0 HB THR A 54 -14.027 -1.666 -12.451 1.00 0.00 H new ATOM 0 HG1 THR A 54 -16.080 -3.093 -13.613 1.00 0.00 H new ATOM 0 HG21 THR A 54 -14.702 -3.970 -11.822 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.876 -2.860 -10.441 1.00 0.00 H new ATOM 0 HG23 THR A 54 -16.313 -3.373 -11.357 1.00 0.00 H new ATOM 817 N LEU A 55 -16.168 0.537 -13.868 1.00 0.00 N ATOM 818 CA LEU A 55 -15.985 1.690 -14.744 1.00 0.00 C ATOM 819 C LEU A 55 -16.611 2.939 -14.128 1.00 0.00 C ATOM 820 O LEU A 55 -16.033 4.025 -14.183 1.00 0.00 O ATOM 821 CB LEU A 55 -16.614 1.420 -16.113 1.00 0.00 C ATOM 822 CG LEU A 55 -15.608 0.690 -17.008 1.00 0.00 C ATOM 823 CD1 LEU A 55 -14.930 -0.430 -16.216 1.00 0.00 C ATOM 824 CD2 LEU A 55 -16.339 0.088 -18.211 1.00 0.00 C ATOM 0 H LEU A 55 -16.734 -0.215 -14.261 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.915 1.858 -14.867 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -17.516 0.819 -15.997 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.914 2.359 -16.578 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.854 1.398 -17.353 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.215 -0.947 -16.856 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -14.408 -0.005 -15.359 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.683 -1.137 -15.868 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.624 -0.432 -18.849 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.094 -0.617 -17.863 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.821 0.884 -18.780 1.00 0.00 H new ATOM 836 N LYS A 56 -17.794 2.778 -13.542 1.00 0.00 N ATOM 837 CA LYS A 56 -18.490 3.901 -12.919 1.00 0.00 C ATOM 838 C LYS A 56 -17.656 4.498 -11.788 1.00 0.00 C ATOM 839 O LYS A 56 -17.830 5.662 -11.425 1.00 0.00 O ATOM 840 CB LYS A 56 -19.836 3.433 -12.362 1.00 0.00 C ATOM 841 CG LYS A 56 -20.828 3.240 -13.512 1.00 0.00 C ATOM 842 CD LYS A 56 -22.031 2.427 -13.025 1.00 0.00 C ATOM 843 CE LYS A 56 -23.078 3.372 -12.430 1.00 0.00 C ATOM 844 NZ LYS A 56 -23.652 4.222 -13.511 1.00 0.00 N ATOM 0 H LYS A 56 -18.288 1.888 -13.485 1.00 0.00 H new ATOM 0 HA LYS A 56 -18.650 4.666 -13.678 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -19.710 2.498 -11.816 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -20.223 4.166 -11.654 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -21.159 4.209 -13.886 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -20.342 2.727 -14.342 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -22.462 1.864 -13.853 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -21.714 1.701 -12.277 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -23.868 2.798 -11.946 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -22.623 3.999 -11.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -24.628 4.483 -13.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -23.079 5.084 -13.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -23.649 3.693 -14.407 1.00 0.00 H new ATOM 858 N LYS A 57 -16.760 3.693 -11.230 1.00 0.00 N ATOM 859 CA LYS A 57 -15.912 4.143 -10.135 1.00 0.00 C ATOM 860 C LYS A 57 -15.615 5.637 -10.237 1.00 0.00 C ATOM 861 O LYS A 57 -15.825 6.382 -9.279 1.00 0.00 O ATOM 862 CB LYS A 57 -14.601 3.359 -10.153 1.00 0.00 C ATOM 863 CG LYS A 57 -14.825 1.976 -9.538 1.00 0.00 C ATOM 864 CD LYS A 57 -14.469 2.015 -8.050 1.00 0.00 C ATOM 865 CE LYS A 57 -15.290 0.964 -7.301 1.00 0.00 C ATOM 866 NZ LYS A 57 -16.550 1.582 -6.799 1.00 0.00 N ATOM 0 H LYS A 57 -16.603 2.727 -11.518 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.442 3.967 -9.199 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.239 3.259 -11.176 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.835 3.897 -9.595 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.864 1.673 -9.666 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.212 1.235 -10.050 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.404 1.824 -7.915 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.669 3.006 -7.643 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.521 0.128 -7.962 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.713 0.562 -6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.108 0.867 -6.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.320 2.365 -6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.102 1.945 -7.602 1.00 0.00 H new ATOM 880 N THR A 58 -15.120 6.075 -11.392 1.00 0.00 N ATOM 881 CA THR A 58 -14.796 7.486 -11.577 1.00 0.00 C ATOM 882 C THR A 58 -16.025 8.283 -12.005 1.00 0.00 C ATOM 883 O THR A 58 -16.075 9.500 -11.828 1.00 0.00 O ATOM 884 CB THR A 58 -13.692 7.636 -12.627 1.00 0.00 C ATOM 885 OG1 THR A 58 -13.849 6.635 -13.623 1.00 0.00 O ATOM 886 CG2 THR A 58 -12.323 7.486 -11.961 1.00 0.00 C ATOM 0 H THR A 58 -14.937 5.483 -12.202 1.00 0.00 H new ATOM 0 HA THR A 58 -14.448 7.880 -10.622 1.00 0.00 H new ATOM 0 HB THR A 58 -13.761 8.622 -13.087 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.144 6.731 -14.297 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.540 7.593 -12.711 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.203 8.256 -11.199 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.250 6.502 -11.498 1.00 0.00 H new ATOM 894 N GLY A 59 -17.016 7.596 -12.565 1.00 0.00 N ATOM 895 CA GLY A 59 -18.234 8.270 -13.004 1.00 0.00 C ATOM 896 C GLY A 59 -18.346 8.271 -14.527 1.00 0.00 C ATOM 897 O GLY A 59 -19.118 9.041 -15.099 1.00 0.00 O ATOM 0 H GLY A 59 -17.002 6.589 -12.724 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.103 7.773 -12.573 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -18.238 9.296 -12.636 1.00 0.00 H new ATOM 901 N ALA A 60 -17.571 7.410 -15.178 1.00 0.00 N ATOM 902 CA ALA A 60 -17.595 7.332 -16.634 1.00 0.00 C ATOM 903 C ALA A 60 -18.859 6.624 -17.111 1.00 0.00 C ATOM 904 O ALA A 60 -19.341 5.691 -16.470 1.00 0.00 O ATOM 905 CB ALA A 60 -16.361 6.579 -17.136 1.00 0.00 C ATOM 0 H ALA A 60 -16.925 6.763 -14.726 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.588 8.345 -17.035 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -16.386 6.525 -18.224 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -15.460 7.105 -16.819 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -16.357 5.571 -16.722 1.00 0.00 H new ATOM 911 N THR A 61 -19.394 7.082 -18.240 1.00 0.00 N ATOM 912 CA THR A 61 -20.607 6.494 -18.796 1.00 0.00 C ATOM 913 C THR A 61 -20.310 5.144 -19.439 1.00 0.00 C ATOM 914 O THR A 61 -19.413 5.028 -20.273 1.00 0.00 O ATOM 915 CB THR A 61 -21.210 7.436 -19.841 1.00 0.00 C ATOM 916 OG1 THR A 61 -20.884 8.778 -19.511 1.00 0.00 O ATOM 917 CG2 THR A 61 -22.729 7.269 -19.870 1.00 0.00 C ATOM 0 H THR A 61 -19.009 7.854 -18.784 1.00 0.00 H new ATOM 0 HA THR A 61 -21.318 6.344 -17.983 1.00 0.00 H new ATOM 0 HB THR A 61 -20.804 7.194 -20.823 1.00 0.00 H new ATOM 0 HG1 THR A 61 -21.268 9.382 -20.180 1.00 0.00 H new ATOM 0 HG21 THR A 61 -23.155 7.941 -20.615 1.00 0.00 H new ATOM 0 HG22 THR A 61 -22.977 6.239 -20.127 1.00 0.00 H new ATOM 0 HG23 THR A 61 -23.140 7.508 -18.889 1.00 0.00 H new ATOM 925 N VAL A 62 -21.069 4.129 -19.045 1.00 0.00 N ATOM 926 CA VAL A 62 -20.884 2.796 -19.584 1.00 0.00 C ATOM 927 C VAL A 62 -22.036 2.436 -20.515 1.00 0.00 C ATOM 928 O VAL A 62 -23.140 2.964 -20.386 1.00 0.00 O ATOM 929 CB VAL A 62 -20.827 1.793 -18.436 1.00 0.00 C ATOM 930 CG1 VAL A 62 -19.609 2.085 -17.557 1.00 0.00 C ATOM 931 CG2 VAL A 62 -22.103 1.909 -17.600 1.00 0.00 C ATOM 0 H VAL A 62 -21.816 4.207 -18.355 1.00 0.00 H new ATOM 0 HA VAL A 62 -19.953 2.768 -20.149 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.745 0.783 -18.838 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -19.571 1.367 -16.738 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -18.701 2.002 -18.154 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -19.686 3.094 -17.152 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -22.066 1.194 -16.778 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -22.184 2.919 -17.198 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -22.969 1.697 -18.227 1.00 0.00 H new ATOM 941 N SER A 63 -21.773 1.534 -21.455 1.00 0.00 N ATOM 942 CA SER A 63 -22.799 1.116 -22.401 1.00 0.00 C ATOM 943 C SER A 63 -22.851 -0.405 -22.502 1.00 0.00 C ATOM 944 O SER A 63 -21.850 -1.051 -22.814 1.00 0.00 O ATOM 945 CB SER A 63 -22.513 1.711 -23.779 1.00 0.00 C ATOM 946 OG SER A 63 -22.458 3.128 -23.677 1.00 0.00 O ATOM 0 H SER A 63 -20.867 1.083 -21.581 1.00 0.00 H new ATOM 0 HA SER A 63 -23.763 1.477 -22.043 1.00 0.00 H new ATOM 0 HB2 SER A 63 -21.569 1.326 -24.165 1.00 0.00 H new ATOM 0 HB3 SER A 63 -23.290 1.416 -24.484 1.00 0.00 H new ATOM 0 HG SER A 63 -21.548 3.404 -23.441 1.00 0.00 H new ATOM 952 N TYR A 64 -24.024 -0.970 -22.235 1.00 0.00 N ATOM 953 CA TYR A 64 -24.198 -2.416 -22.298 1.00 0.00 C ATOM 954 C TYR A 64 -24.540 -2.854 -23.720 1.00 0.00 C ATOM 955 O TYR A 64 -25.608 -2.530 -24.240 1.00 0.00 O ATOM 956 CB TYR A 64 -25.314 -2.846 -21.342 1.00 0.00 C ATOM 957 CG TYR A 64 -25.914 -4.151 -21.810 1.00 0.00 C ATOM 958 CD1 TYR A 64 -25.237 -5.354 -21.581 1.00 0.00 C ATOM 959 CD2 TYR A 64 -27.149 -4.156 -22.470 1.00 0.00 C ATOM 960 CE1 TYR A 64 -25.794 -6.563 -22.013 1.00 0.00 C ATOM 961 CE2 TYR A 64 -27.706 -5.365 -22.902 1.00 0.00 C ATOM 962 CZ TYR A 64 -27.028 -6.569 -22.672 1.00 0.00 C ATOM 963 OH TYR A 64 -27.578 -7.760 -23.098 1.00 0.00 O ATOM 0 H TYR A 64 -24.863 -0.452 -21.975 1.00 0.00 H new ATOM 0 HA TYR A 64 -23.263 -2.892 -22.002 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -24.918 -2.959 -20.333 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -26.084 -2.076 -21.298 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -24.285 -5.350 -21.071 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -27.671 -3.227 -22.646 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -25.271 -7.492 -21.838 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -28.658 -5.370 -23.412 1.00 0.00 H new ATOM 0 HH TYR A 64 -28.437 -7.585 -23.536 1.00 0.00 H new ATOM 973 N LEU A 65 -23.626 -3.593 -24.343 1.00 0.00 N ATOM 974 CA LEU A 65 -23.840 -4.069 -25.704 1.00 0.00 C ATOM 975 C LEU A 65 -24.367 -5.500 -25.697 1.00 0.00 C ATOM 976 O LEU A 65 -25.373 -5.805 -26.337 1.00 0.00 O ATOM 977 CB LEU A 65 -22.529 -4.011 -26.490 1.00 0.00 C ATOM 978 CG LEU A 65 -21.764 -2.741 -26.113 1.00 0.00 C ATOM 979 CD1 LEU A 65 -20.451 -2.684 -26.894 1.00 0.00 C ATOM 980 CD2 LEU A 65 -22.613 -1.515 -26.458 1.00 0.00 C ATOM 0 H LEU A 65 -22.737 -3.873 -23.930 1.00 0.00 H new ATOM 0 HA LEU A 65 -24.579 -3.425 -26.180 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -21.923 -4.891 -26.273 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -22.734 -4.021 -27.561 1.00 0.00 H new ATOM 0 HG LEU A 65 -21.551 -2.750 -25.044 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.907 -1.779 -26.625 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.845 -3.557 -26.652 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.664 -2.675 -27.963 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -22.070 -0.609 -26.190 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -22.825 -1.508 -27.527 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -23.550 -1.553 -25.903 1.00 0.00 H new ATOM 992 N GLY A 66 -23.680 -6.374 -24.969 1.00 0.00 N ATOM 993 CA GLY A 66 -24.089 -7.771 -24.887 1.00 0.00 C ATOM 994 C GLY A 66 -22.883 -8.679 -24.682 1.00 0.00 C ATOM 995 O GLY A 66 -21.935 -8.322 -23.983 1.00 0.00 O ATOM 0 H GLY A 66 -22.845 -6.142 -24.432 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -24.791 -7.901 -24.064 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -24.612 -8.055 -25.800 1.00 0.00 H new