USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=21 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 :FLIP no HD1:sc= -0.612 F(o=-0.88,f=-0.26) USER MOD Set 1.2: A 47 SER OG : rot 77:sc= 0.355 USER MOD Single : A 3 LYS NZ :NH3+ -149:sc= -1.33 (180deg=-2.28!) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0289 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -150:sc= -0.0708 USER MOD Single : A 12 CYS SG : rot -153:sc= -0.351 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -78:sc= 0.272! USER MOD Single : A 24 ASN : amide:sc= 1.97 K(o=2,f=-0.036) USER MOD Single : A 25 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0385) USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= -0.806 (180deg=-1.32!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.044) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -1.19 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -130:sc= -2.01 USER MOD Single : A 54 THR OG1 : rot 97:sc= 0.0304 USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.177) USER MOD Single : A 57 LYS NZ :NH3+ 178:sc= -6.38! (180deg=-6.45!) USER MOD Single : A 58 THR OG1 : rot 160:sc= 0.097 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -17.606 -16.510 -21.840 1.00 0.00 N ATOM 21 CA PRO A 2 -18.050 -15.766 -23.053 1.00 0.00 C ATOM 22 C PRO A 2 -17.459 -14.359 -23.117 1.00 0.00 C ATOM 23 O PRO A 2 -17.046 -13.801 -22.101 1.00 0.00 O ATOM 24 CB PRO A 2 -19.572 -15.715 -22.909 1.00 0.00 C ATOM 25 CG PRO A 2 -19.839 -15.826 -21.443 1.00 0.00 C ATOM 26 CD PRO A 2 -18.675 -16.614 -20.836 1.00 0.00 C ATOM 0 HA PRO A 2 -17.721 -16.250 -23.973 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -19.973 -14.785 -23.311 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -20.045 -16.530 -23.457 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -19.915 -14.838 -20.989 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -20.786 -16.334 -21.261 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -18.365 -16.193 -19.879 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -18.950 -17.653 -20.653 1.00 0.00 H new ATOM 34 N LYS A 3 -17.426 -13.793 -24.319 1.00 0.00 N ATOM 35 CA LYS A 3 -16.887 -12.451 -24.507 1.00 0.00 C ATOM 36 C LYS A 3 -18.002 -11.417 -24.415 1.00 0.00 C ATOM 37 O LYS A 3 -19.060 -11.581 -25.021 1.00 0.00 O ATOM 38 CB LYS A 3 -16.204 -12.350 -25.872 1.00 0.00 C ATOM 39 CG LYS A 3 -15.200 -13.495 -26.027 1.00 0.00 C ATOM 40 CD LYS A 3 -14.029 -13.033 -26.896 1.00 0.00 C ATOM 41 CE LYS A 3 -14.563 -12.467 -28.214 1.00 0.00 C ATOM 42 NZ LYS A 3 -15.665 -13.334 -28.718 1.00 0.00 N ATOM 0 H LYS A 3 -17.764 -14.239 -25.172 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.156 -12.255 -23.722 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.948 -12.395 -26.667 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -15.695 -11.391 -25.966 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -14.838 -13.810 -25.048 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -15.685 -14.359 -26.481 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -13.450 -12.274 -26.370 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -13.357 -13.868 -27.093 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.926 -11.450 -28.065 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -13.761 -12.415 -28.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -15.677 -13.311 -29.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -15.514 -14.311 -28.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.575 -12.986 -28.354 1.00 0.00 H new ATOM 56 N HIS A 4 -17.763 -10.356 -23.652 1.00 0.00 N ATOM 57 CA HIS A 4 -18.766 -9.312 -23.491 1.00 0.00 C ATOM 58 C HIS A 4 -18.275 -7.995 -24.084 1.00 0.00 C ATOM 59 O HIS A 4 -17.093 -7.665 -23.991 1.00 0.00 O ATOM 60 CB HIS A 4 -19.084 -9.124 -22.007 1.00 0.00 C ATOM 61 CG HIS A 4 -20.241 -8.176 -21.858 1.00 0.00 C ATOM 62 ND1 HIS A 4 -20.294 -6.826 -21.611 1.00 0.00 N flip ATOM 63 CD2 HIS A 4 -21.557 -8.594 -21.964 1.00 0.00 C flip ATOM 64 CE1 HIS A 4 -21.621 -6.411 -21.564 1.00 0.00 C flip ATOM 65 NE2 HIS A 4 -22.341 -7.515 -21.784 1.00 0.00 N flip ATOM 0 H HIS A 4 -16.894 -10.198 -23.141 1.00 0.00 H new ATOM 0 HA HIS A 4 -19.669 -9.615 -24.021 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -19.326 -10.084 -21.552 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -18.211 -8.734 -21.484 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -21.893 -9.602 -22.156 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -21.990 -5.411 -21.388 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -23.360 -7.537 -21.812 1.00 0.00 H new ATOM 73 N GLU A 5 -19.191 -7.249 -24.693 1.00 0.00 N ATOM 74 CA GLU A 5 -18.839 -5.969 -25.295 1.00 0.00 C ATOM 75 C GLU A 5 -19.289 -4.820 -24.400 1.00 0.00 C ATOM 76 O GLU A 5 -20.444 -4.764 -23.977 1.00 0.00 O ATOM 77 CB GLU A 5 -19.505 -5.834 -26.669 1.00 0.00 C ATOM 78 CG GLU A 5 -18.742 -6.667 -27.705 1.00 0.00 C ATOM 79 CD GLU A 5 -18.831 -6.003 -29.075 1.00 0.00 C ATOM 80 OE1 GLU A 5 -19.918 -5.583 -29.438 1.00 0.00 O ATOM 81 OE2 GLU A 5 -17.811 -5.922 -29.738 1.00 0.00 O ATOM 0 H GLU A 5 -20.174 -7.506 -24.782 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.756 -5.929 -25.411 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -20.541 -6.167 -26.614 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -19.522 -4.787 -26.973 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -17.698 -6.766 -27.407 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -19.157 -7.674 -27.752 1.00 0.00 H new ATOM 88 N PHE A 6 -18.370 -3.903 -24.120 1.00 0.00 N ATOM 89 CA PHE A 6 -18.682 -2.758 -23.278 1.00 0.00 C ATOM 90 C PHE A 6 -17.942 -1.518 -23.771 1.00 0.00 C ATOM 91 O PHE A 6 -16.776 -1.593 -24.156 1.00 0.00 O ATOM 92 CB PHE A 6 -18.285 -3.054 -21.829 1.00 0.00 C ATOM 93 CG PHE A 6 -19.299 -2.445 -20.893 1.00 0.00 C ATOM 94 CD1 PHE A 6 -20.639 -2.844 -20.955 1.00 0.00 C ATOM 95 CD2 PHE A 6 -18.899 -1.481 -19.960 1.00 0.00 C ATOM 96 CE1 PHE A 6 -21.579 -2.279 -20.084 1.00 0.00 C ATOM 97 CE2 PHE A 6 -19.838 -0.917 -19.091 1.00 0.00 C ATOM 98 CZ PHE A 6 -21.178 -1.316 -19.152 1.00 0.00 C ATOM 0 H PHE A 6 -17.409 -3.931 -24.462 1.00 0.00 H new ATOM 0 HA PHE A 6 -19.755 -2.571 -23.328 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -18.228 -4.131 -21.669 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -17.295 -2.648 -21.622 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -20.948 -3.588 -21.675 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -17.865 -1.173 -19.911 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -22.613 -2.587 -20.132 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -19.529 -0.173 -18.372 1.00 0.00 H new ATOM 0 HZ PHE A 6 -21.902 -0.881 -18.480 1.00 0.00 H new ATOM 108 N SER A 7 -18.626 -0.378 -23.754 1.00 0.00 N ATOM 109 CA SER A 7 -18.020 0.871 -24.200 1.00 0.00 C ATOM 110 C SER A 7 -18.054 1.902 -23.078 1.00 0.00 C ATOM 111 O SER A 7 -19.116 2.207 -22.538 1.00 0.00 O ATOM 112 CB SER A 7 -18.770 1.409 -25.420 1.00 0.00 C ATOM 113 OG SER A 7 -17.851 1.601 -26.488 1.00 0.00 O ATOM 0 H SER A 7 -19.592 -0.293 -23.439 1.00 0.00 H new ATOM 0 HA SER A 7 -16.982 0.679 -24.473 1.00 0.00 H new ATOM 0 HB2 SER A 7 -19.552 0.710 -25.718 1.00 0.00 H new ATOM 0 HB3 SER A 7 -19.261 2.350 -25.174 1.00 0.00 H new ATOM 0 HG SER A 7 -18.328 1.944 -27.272 1.00 0.00 H new ATOM 119 N VAL A 8 -16.886 2.429 -22.728 1.00 0.00 N ATOM 120 CA VAL A 8 -16.803 3.417 -21.659 1.00 0.00 C ATOM 121 C VAL A 8 -16.005 4.638 -22.100 1.00 0.00 C ATOM 122 O VAL A 8 -14.855 4.521 -22.524 1.00 0.00 O ATOM 123 CB VAL A 8 -16.136 2.799 -20.431 1.00 0.00 C ATOM 124 CG1 VAL A 8 -15.917 3.881 -19.370 1.00 0.00 C ATOM 125 CG2 VAL A 8 -17.035 1.699 -19.863 1.00 0.00 C ATOM 0 H VAL A 8 -15.994 2.193 -23.163 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.817 3.732 -21.413 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.175 2.371 -20.715 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.441 3.440 -18.494 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.276 4.664 -19.776 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -16.877 4.310 -19.084 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.560 1.257 -18.987 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -17.997 2.126 -19.578 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.190 0.929 -20.619 1.00 0.00 H new ATOM 135 N ASP A 9 -16.616 5.812 -21.980 1.00 0.00 N ATOM 136 CA ASP A 9 -15.943 7.051 -22.350 1.00 0.00 C ATOM 137 C ASP A 9 -14.972 7.450 -21.244 1.00 0.00 C ATOM 138 O ASP A 9 -15.380 7.700 -20.111 1.00 0.00 O ATOM 139 CB ASP A 9 -16.969 8.167 -22.566 1.00 0.00 C ATOM 140 CG ASP A 9 -16.572 9.016 -23.769 1.00 0.00 C ATOM 141 OD1 ASP A 9 -15.428 8.923 -24.183 1.00 0.00 O ATOM 142 OD2 ASP A 9 -17.417 9.747 -24.258 1.00 0.00 O ATOM 0 H ASP A 9 -17.568 5.931 -21.633 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.394 6.895 -23.279 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -17.958 7.737 -22.725 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -17.032 8.792 -21.675 1.00 0.00 H new ATOM 147 N MET A 10 -13.687 7.491 -21.572 1.00 0.00 N ATOM 148 CA MET A 10 -12.677 7.841 -20.580 1.00 0.00 C ATOM 149 C MET A 10 -12.825 9.293 -20.140 1.00 0.00 C ATOM 150 O MET A 10 -12.660 10.217 -20.937 1.00 0.00 O ATOM 151 CB MET A 10 -11.279 7.623 -21.163 1.00 0.00 C ATOM 152 CG MET A 10 -11.055 6.130 -21.410 1.00 0.00 C ATOM 153 SD MET A 10 -9.308 5.731 -21.147 1.00 0.00 S ATOM 154 CE MET A 10 -9.562 4.260 -20.122 1.00 0.00 C ATOM 0 H MET A 10 -13.322 7.290 -22.503 1.00 0.00 H new ATOM 0 HA MET A 10 -12.816 7.199 -19.710 1.00 0.00 H new ATOM 0 HB2 MET A 10 -11.172 8.177 -22.096 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.524 8.006 -20.477 1.00 0.00 H new ATOM 0 HG2 MET A 10 -11.679 5.541 -20.737 1.00 0.00 H new ATOM 0 HG3 MET A 10 -11.349 5.870 -22.427 1.00 0.00 H new ATOM 0 HE1 MET A 10 -8.596 3.842 -19.839 1.00 0.00 H new ATOM 0 HE2 MET A 10 -10.116 4.534 -19.224 1.00 0.00 H new ATOM 0 HE3 MET A 10 -10.128 3.518 -20.685 1.00 0.00 H new ATOM 164 N THR A 11 -13.126 9.483 -18.860 1.00 0.00 N ATOM 165 CA THR A 11 -13.282 10.822 -18.305 1.00 0.00 C ATOM 166 C THR A 11 -12.128 11.131 -17.360 1.00 0.00 C ATOM 167 O THR A 11 -11.631 12.257 -17.308 1.00 0.00 O ATOM 168 CB THR A 11 -14.608 10.925 -17.546 1.00 0.00 C ATOM 169 OG1 THR A 11 -15.522 9.967 -18.063 1.00 0.00 O ATOM 170 CG2 THR A 11 -15.187 12.331 -17.714 1.00 0.00 C ATOM 0 H THR A 11 -13.267 8.728 -18.189 1.00 0.00 H new ATOM 0 HA THR A 11 -13.281 11.543 -19.123 1.00 0.00 H new ATOM 0 HB THR A 11 -14.438 10.731 -16.487 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.438 10.302 -17.965 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.131 12.403 -17.173 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.484 13.064 -17.317 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.359 12.530 -18.772 1.00 0.00 H new ATOM 178 N CYS A 12 -11.711 10.114 -16.614 1.00 0.00 N ATOM 179 CA CYS A 12 -10.616 10.262 -15.666 1.00 0.00 C ATOM 180 C CYS A 12 -9.367 9.558 -16.178 1.00 0.00 C ATOM 181 O CYS A 12 -8.600 9.006 -15.395 1.00 0.00 O ATOM 182 CB CYS A 12 -11.023 9.678 -14.312 1.00 0.00 C ATOM 183 SG CYS A 12 -11.715 10.989 -13.274 1.00 0.00 S ATOM 0 H CYS A 12 -12.116 9.178 -16.648 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.394 11.323 -15.551 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -11.757 8.884 -14.452 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.158 9.230 -13.822 1.00 0.00 H new ATOM 0 HG CYS A 12 -11.536 10.691 -12.021 1.00 0.00 H new ATOM 189 N GLY A 13 -9.172 9.586 -17.497 1.00 0.00 N ATOM 190 CA GLY A 13 -8.008 8.947 -18.110 1.00 0.00 C ATOM 191 C GLY A 13 -6.955 8.606 -17.062 1.00 0.00 C ATOM 192 O GLY A 13 -6.524 7.460 -16.950 1.00 0.00 O ATOM 0 H GLY A 13 -9.801 10.042 -18.158 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.318 8.039 -18.628 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.578 9.611 -18.860 1.00 0.00 H new ATOM 196 N GLY A 14 -6.558 9.610 -16.286 1.00 0.00 N ATOM 197 CA GLY A 14 -5.568 9.407 -15.236 1.00 0.00 C ATOM 198 C GLY A 14 -6.106 8.469 -14.160 1.00 0.00 C ATOM 199 O GLY A 14 -5.486 7.453 -13.842 1.00 0.00 O ATOM 0 H GLY A 14 -6.905 10.566 -16.364 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.656 8.991 -15.665 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.302 10.365 -14.790 1.00 0.00 H new ATOM 203 N CYS A 15 -7.267 8.813 -13.607 1.00 0.00 N ATOM 204 CA CYS A 15 -7.882 7.991 -12.572 1.00 0.00 C ATOM 205 C CYS A 15 -8.630 6.817 -13.200 1.00 0.00 C ATOM 206 O CYS A 15 -8.544 5.687 -12.721 1.00 0.00 O ATOM 207 CB CYS A 15 -8.849 8.836 -11.739 1.00 0.00 C ATOM 208 SG CYS A 15 -8.308 8.843 -10.011 1.00 0.00 S ATOM 0 H CYS A 15 -7.796 9.649 -13.857 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.097 7.601 -11.924 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.884 9.855 -12.125 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.859 8.432 -11.814 1.00 0.00 H new ATOM 0 HG CYS A 15 -9.127 9.562 -9.303 1.00 0.00 H new ATOM 214 N ALA A 16 -9.357 7.093 -14.280 1.00 0.00 N ATOM 215 CA ALA A 16 -10.107 6.049 -14.970 1.00 0.00 C ATOM 216 C ALA A 16 -9.176 4.908 -15.365 1.00 0.00 C ATOM 217 O ALA A 16 -9.576 3.742 -15.373 1.00 0.00 O ATOM 218 CB ALA A 16 -10.771 6.624 -16.223 1.00 0.00 C ATOM 0 H ALA A 16 -9.442 8.022 -14.693 1.00 0.00 H new ATOM 0 HA ALA A 16 -10.875 5.668 -14.297 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.329 5.838 -16.732 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.452 7.426 -15.938 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.006 7.018 -16.892 1.00 0.00 H new ATOM 224 N GLU A 17 -7.932 5.250 -15.685 1.00 0.00 N ATOM 225 CA GLU A 17 -6.953 4.243 -16.074 1.00 0.00 C ATOM 226 C GLU A 17 -6.687 3.294 -14.911 1.00 0.00 C ATOM 227 O GLU A 17 -6.657 2.076 -15.085 1.00 0.00 O ATOM 228 CB GLU A 17 -5.644 4.914 -16.496 1.00 0.00 C ATOM 229 CG GLU A 17 -4.533 3.863 -16.570 1.00 0.00 C ATOM 230 CD GLU A 17 -3.750 3.840 -15.261 1.00 0.00 C ATOM 231 OE1 GLU A 17 -3.171 4.860 -14.922 1.00 0.00 O ATOM 232 OE2 GLU A 17 -3.741 2.805 -14.617 1.00 0.00 O ATOM 0 H GLU A 17 -7.581 6.208 -15.683 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.353 3.677 -16.916 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.767 5.398 -17.465 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.376 5.693 -15.782 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.963 2.880 -16.764 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.863 4.087 -17.400 1.00 0.00 H new ATOM 239 N ALA A 18 -6.505 3.862 -13.723 1.00 0.00 N ATOM 240 CA ALA A 18 -6.254 3.055 -12.536 1.00 0.00 C ATOM 241 C ALA A 18 -7.503 2.261 -12.172 1.00 0.00 C ATOM 242 O ALA A 18 -7.419 1.173 -11.603 1.00 0.00 O ATOM 243 CB ALA A 18 -5.856 3.957 -11.365 1.00 0.00 C ATOM 0 H ALA A 18 -6.526 4.868 -13.558 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.439 2.362 -12.747 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.670 3.346 -10.482 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.951 4.508 -11.622 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.663 4.660 -11.157 1.00 0.00 H new ATOM 249 N VAL A 19 -8.661 2.815 -12.516 1.00 0.00 N ATOM 250 CA VAL A 19 -9.932 2.159 -12.236 1.00 0.00 C ATOM 251 C VAL A 19 -10.017 0.826 -12.972 1.00 0.00 C ATOM 252 O VAL A 19 -10.573 -0.142 -12.457 1.00 0.00 O ATOM 253 CB VAL A 19 -11.098 3.054 -12.661 1.00 0.00 C ATOM 254 CG1 VAL A 19 -12.335 2.190 -12.924 1.00 0.00 C ATOM 255 CG2 VAL A 19 -11.406 4.052 -11.544 1.00 0.00 C ATOM 0 H VAL A 19 -8.745 3.715 -12.988 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.993 1.978 -11.163 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.830 3.593 -13.570 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.166 2.827 -13.227 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.118 1.475 -13.718 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.603 1.652 -12.015 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -12.237 4.690 -11.845 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.675 3.511 -10.637 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.527 4.667 -11.353 1.00 0.00 H new ATOM 265 N SER A 20 -9.474 0.790 -14.183 1.00 0.00 N ATOM 266 CA SER A 20 -9.509 -0.430 -14.981 1.00 0.00 C ATOM 267 C SER A 20 -8.874 -1.584 -14.212 1.00 0.00 C ATOM 268 O SER A 20 -9.395 -2.700 -14.214 1.00 0.00 O ATOM 269 CB SER A 20 -8.764 -0.214 -16.298 1.00 0.00 C ATOM 270 OG SER A 20 -7.434 0.205 -16.022 1.00 0.00 O ATOM 0 H SER A 20 -9.010 1.581 -14.630 1.00 0.00 H new ATOM 0 HA SER A 20 -10.549 -0.678 -15.194 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.754 -1.136 -16.879 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.276 0.536 -16.900 1.00 0.00 H new ATOM 0 HG SER A 20 -7.433 1.155 -15.783 1.00 0.00 H new ATOM 276 N ARG A 21 -7.759 -1.309 -13.543 1.00 0.00 N ATOM 277 CA ARG A 21 -7.083 -2.338 -12.761 1.00 0.00 C ATOM 278 C ARG A 21 -8.045 -2.913 -11.726 1.00 0.00 C ATOM 279 O ARG A 21 -8.079 -4.122 -11.492 1.00 0.00 O ATOM 280 CB ARG A 21 -5.865 -1.744 -12.052 1.00 0.00 C ATOM 281 CG ARG A 21 -4.877 -1.209 -13.089 1.00 0.00 C ATOM 282 CD ARG A 21 -3.652 -0.633 -12.377 1.00 0.00 C ATOM 283 NE ARG A 21 -4.068 0.252 -11.294 1.00 0.00 N ATOM 284 CZ ARG A 21 -3.196 0.691 -10.392 1.00 0.00 C ATOM 285 NH1 ARG A 21 -1.945 0.326 -10.462 1.00 0.00 N ATOM 286 NH2 ARG A 21 -3.591 1.484 -9.435 1.00 0.00 N ATOM 0 H ARG A 21 -7.309 -0.394 -13.526 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.754 -3.132 -13.432 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.176 -0.941 -11.384 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.385 -2.504 -11.435 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.575 -2.008 -13.766 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.353 -0.440 -13.697 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.039 -1.442 -11.980 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.034 -0.084 -13.088 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.045 0.539 -11.228 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.636 -0.296 -11.209 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.276 0.663 -9.770 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.569 1.767 -9.379 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.922 1.821 -8.743 1.00 0.00 H new ATOM 300 N VAL A 22 -8.828 -2.030 -11.119 1.00 0.00 N ATOM 301 CA VAL A 22 -9.804 -2.432 -10.114 1.00 0.00 C ATOM 302 C VAL A 22 -10.813 -3.409 -10.710 1.00 0.00 C ATOM 303 O VAL A 22 -11.508 -4.118 -9.982 1.00 0.00 O ATOM 304 CB VAL A 22 -10.530 -1.204 -9.565 1.00 0.00 C ATOM 305 CG1 VAL A 22 -11.548 -1.641 -8.510 1.00 0.00 C ATOM 306 CG2 VAL A 22 -9.511 -0.258 -8.927 1.00 0.00 C ATOM 0 H VAL A 22 -8.806 -1.028 -11.306 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.277 -2.928 -9.299 1.00 0.00 H new ATOM 0 HB VAL A 22 -11.047 -0.693 -10.377 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.065 -0.765 -8.119 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.272 -2.319 -8.962 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.033 -2.151 -7.696 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.025 0.619 -8.534 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.997 -0.771 -8.114 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.784 0.053 -9.677 1.00 0.00 H new ATOM 316 N LEU A 23 -10.896 -3.429 -12.038 1.00 0.00 N ATOM 317 CA LEU A 23 -11.836 -4.309 -12.720 1.00 0.00 C ATOM 318 C LEU A 23 -11.573 -5.761 -12.341 1.00 0.00 C ATOM 319 O LEU A 23 -12.501 -6.561 -12.231 1.00 0.00 O ATOM 320 CB LEU A 23 -11.691 -4.155 -14.237 1.00 0.00 C ATOM 321 CG LEU A 23 -12.749 -5.005 -14.941 1.00 0.00 C ATOM 322 CD1 LEU A 23 -14.088 -4.266 -14.931 1.00 0.00 C ATOM 323 CD2 LEU A 23 -12.317 -5.257 -16.387 1.00 0.00 C ATOM 0 H LEU A 23 -10.328 -2.851 -12.657 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.846 -4.034 -12.417 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.804 -3.108 -14.519 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.694 -4.464 -14.551 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.857 -5.957 -14.421 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -14.842 -4.872 -15.433 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -14.395 -4.084 -13.901 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -13.982 -3.314 -15.452 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -13.070 -5.863 -16.891 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -12.210 -4.305 -16.906 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.363 -5.783 -16.395 1.00 0.00 H new ATOM 335 N ASN A 24 -10.307 -6.095 -12.133 1.00 0.00 N ATOM 336 CA ASN A 24 -9.950 -7.453 -11.757 1.00 0.00 C ATOM 337 C ASN A 24 -10.641 -7.829 -10.448 1.00 0.00 C ATOM 338 O ASN A 24 -10.979 -8.991 -10.224 1.00 0.00 O ATOM 339 CB ASN A 24 -8.432 -7.574 -11.601 1.00 0.00 C ATOM 340 CG ASN A 24 -7.775 -7.661 -12.976 1.00 0.00 C ATOM 341 OD1 ASN A 24 -7.494 -8.756 -13.462 1.00 0.00 O ATOM 342 ND2 ASN A 24 -7.515 -6.565 -13.635 1.00 0.00 N ATOM 0 H ASN A 24 -9.520 -5.452 -12.217 1.00 0.00 H new ATOM 0 HA ASN A 24 -10.279 -8.135 -12.541 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.044 -6.713 -11.056 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.187 -8.459 -11.014 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.078 -6.615 -14.555 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.749 -5.659 -13.230 1.00 0.00 H new ATOM 349 N LYS A 25 -10.852 -6.834 -9.590 1.00 0.00 N ATOM 350 CA LYS A 25 -11.509 -7.064 -8.307 1.00 0.00 C ATOM 351 C LYS A 25 -12.977 -7.434 -8.511 1.00 0.00 C ATOM 352 O LYS A 25 -13.481 -8.371 -7.891 1.00 0.00 O ATOM 353 CB LYS A 25 -11.413 -5.807 -7.439 1.00 0.00 C ATOM 354 CG LYS A 25 -9.947 -5.390 -7.308 1.00 0.00 C ATOM 355 CD LYS A 25 -9.293 -6.177 -6.170 1.00 0.00 C ATOM 356 CE LYS A 25 -9.376 -5.366 -4.876 1.00 0.00 C ATOM 357 NZ LYS A 25 -8.323 -4.311 -4.880 1.00 0.00 N ATOM 0 H LYS A 25 -10.579 -5.866 -9.759 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.006 -7.891 -7.807 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.994 -4.999 -7.884 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.837 -5.999 -6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.420 -5.577 -8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.878 -4.320 -7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.793 -7.137 -6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.252 -6.390 -6.412 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.362 -4.910 -4.783 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.245 -6.021 -4.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.220 -3.920 -3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.418 -4.724 -5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.595 -3.552 -5.537 1.00 0.00 H new ATOM 371 N LEU A 26 -13.658 -6.695 -9.384 1.00 0.00 N ATOM 372 CA LEU A 26 -15.066 -6.955 -9.661 1.00 0.00 C ATOM 373 C LEU A 26 -15.212 -8.151 -10.597 1.00 0.00 C ATOM 374 O LEU A 26 -16.105 -8.982 -10.426 1.00 0.00 O ATOM 375 CB LEU A 26 -15.701 -5.723 -10.309 1.00 0.00 C ATOM 376 CG LEU A 26 -17.031 -5.401 -9.624 1.00 0.00 C ATOM 377 CD1 LEU A 26 -17.893 -6.663 -9.551 1.00 0.00 C ATOM 378 CD2 LEU A 26 -16.764 -4.884 -8.209 1.00 0.00 C ATOM 0 H LEU A 26 -13.259 -5.916 -9.908 1.00 0.00 H new ATOM 0 HA LEU A 26 -15.571 -7.177 -8.721 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -15.026 -4.871 -10.230 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -15.864 -5.903 -11.372 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.556 -4.638 -10.198 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.839 -6.430 -9.063 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.086 -7.031 -10.559 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -17.369 -7.429 -8.979 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.711 -4.654 -7.721 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.236 -5.647 -7.637 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -16.154 -3.982 -8.260 1.00 0.00 H new ATOM 390 N GLY A 27 -14.328 -8.228 -11.585 1.00 0.00 N ATOM 391 CA GLY A 27 -14.364 -9.324 -12.546 1.00 0.00 C ATOM 392 C GLY A 27 -13.325 -10.385 -12.206 1.00 0.00 C ATOM 393 O GLY A 27 -13.665 -11.531 -11.915 1.00 0.00 O ATOM 0 H GLY A 27 -13.582 -7.550 -11.741 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.357 -9.773 -12.554 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.180 -8.939 -13.549 1.00 0.00 H new ATOM 397 N GLY A 28 -12.055 -9.995 -12.247 1.00 0.00 N ATOM 398 CA GLY A 28 -10.973 -10.924 -11.945 1.00 0.00 C ATOM 399 C GLY A 28 -10.752 -11.885 -13.107 1.00 0.00 C ATOM 400 O GLY A 28 -10.309 -13.018 -12.913 1.00 0.00 O ATOM 0 H GLY A 28 -11.752 -9.050 -12.484 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.056 -10.370 -11.745 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.210 -11.486 -11.041 1.00 0.00 H new ATOM 404 N VAL A 29 -11.065 -11.425 -14.314 1.00 0.00 N ATOM 405 CA VAL A 29 -10.901 -12.253 -15.505 1.00 0.00 C ATOM 406 C VAL A 29 -10.161 -11.493 -16.595 1.00 0.00 C ATOM 407 O VAL A 29 -9.629 -10.406 -16.366 1.00 0.00 O ATOM 408 CB VAL A 29 -12.266 -12.700 -16.028 1.00 0.00 C ATOM 409 CG1 VAL A 29 -12.225 -14.197 -16.345 1.00 0.00 C ATOM 410 CG2 VAL A 29 -13.333 -12.436 -14.964 1.00 0.00 C ATOM 0 H VAL A 29 -11.431 -10.490 -14.494 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.314 -13.129 -15.230 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.508 -12.142 -16.932 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.198 -14.517 -16.718 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.465 -14.388 -17.103 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.982 -14.754 -15.440 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.306 -12.755 -15.338 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.091 -12.994 -14.060 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.363 -11.371 -14.736 1.00 0.00 H new ATOM 420 N LYS A 30 -10.130 -12.085 -17.777 1.00 0.00 N ATOM 421 CA LYS A 30 -9.447 -11.475 -18.914 1.00 0.00 C ATOM 422 C LYS A 30 -10.021 -10.093 -19.213 1.00 0.00 C ATOM 423 O LYS A 30 -11.209 -9.952 -19.499 1.00 0.00 O ATOM 424 CB LYS A 30 -9.588 -12.367 -20.149 1.00 0.00 C ATOM 425 CG LYS A 30 -8.243 -12.457 -20.873 1.00 0.00 C ATOM 426 CD LYS A 30 -8.429 -13.174 -22.211 1.00 0.00 C ATOM 427 CE LYS A 30 -7.199 -12.944 -23.090 1.00 0.00 C ATOM 428 NZ LYS A 30 -6.046 -12.538 -22.237 1.00 0.00 N ATOM 0 H LYS A 30 -10.567 -12.984 -17.978 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.392 -11.368 -18.661 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.922 -13.362 -19.855 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.346 -11.961 -20.818 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.839 -11.458 -21.037 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.522 -12.995 -20.257 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.576 -14.241 -22.046 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.322 -12.803 -22.713 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.956 -13.854 -23.639 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.407 -12.171 -23.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.167 -12.595 -22.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.185 -11.561 -21.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.980 -13.174 -21.417 1.00 0.00 H new ATOM 442 N TYR A 31 -9.165 -9.076 -19.146 1.00 0.00 N ATOM 443 CA TYR A 31 -9.597 -7.708 -19.413 1.00 0.00 C ATOM 444 C TYR A 31 -8.544 -6.963 -20.228 1.00 0.00 C ATOM 445 O TYR A 31 -7.359 -7.289 -20.174 1.00 0.00 O ATOM 446 CB TYR A 31 -9.846 -6.970 -18.094 1.00 0.00 C ATOM 447 CG TYR A 31 -8.525 -6.584 -17.473 1.00 0.00 C ATOM 448 CD1 TYR A 31 -7.646 -7.577 -17.024 1.00 0.00 C ATOM 449 CD2 TYR A 31 -8.179 -5.233 -17.345 1.00 0.00 C ATOM 450 CE1 TYR A 31 -6.421 -7.219 -16.446 1.00 0.00 C ATOM 451 CE2 TYR A 31 -6.953 -4.875 -16.767 1.00 0.00 C ATOM 452 CZ TYR A 31 -6.075 -5.869 -16.319 1.00 0.00 C ATOM 453 OH TYR A 31 -4.868 -5.517 -15.751 1.00 0.00 O ATOM 0 H TYR A 31 -8.177 -9.172 -18.911 1.00 0.00 H new ATOM 0 HA TYR A 31 -10.523 -7.745 -19.986 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.450 -6.080 -18.272 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.409 -7.606 -17.410 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.912 -8.619 -17.123 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.857 -4.467 -17.692 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.744 -7.985 -16.098 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.686 -3.833 -16.667 1.00 0.00 H new ATOM 0 HH TYR A 31 -4.784 -4.541 -15.740 1.00 0.00 H new ATOM 463 N ASP A 32 -8.984 -5.964 -20.986 1.00 0.00 N ATOM 464 CA ASP A 32 -8.068 -5.183 -21.811 1.00 0.00 C ATOM 465 C ASP A 32 -8.639 -3.793 -22.081 1.00 0.00 C ATOM 466 O ASP A 32 -9.829 -3.644 -22.360 1.00 0.00 O ATOM 467 CB ASP A 32 -7.818 -5.904 -23.138 1.00 0.00 C ATOM 468 CG ASP A 32 -6.478 -5.474 -23.724 1.00 0.00 C ATOM 469 OD1 ASP A 32 -5.919 -4.509 -23.229 1.00 0.00 O ATOM 470 OD2 ASP A 32 -6.029 -6.116 -24.659 1.00 0.00 O ATOM 0 H ASP A 32 -9.961 -5.677 -21.047 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.126 -5.075 -21.273 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.826 -6.983 -22.982 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.620 -5.678 -23.840 1.00 0.00 H new ATOM 475 N ILE A 33 -7.783 -2.780 -21.994 1.00 0.00 N ATOM 476 CA ILE A 33 -8.209 -1.407 -22.228 1.00 0.00 C ATOM 477 C ILE A 33 -7.472 -0.814 -23.426 1.00 0.00 C ATOM 478 O ILE A 33 -6.242 -0.790 -23.458 1.00 0.00 O ATOM 479 CB ILE A 33 -7.928 -0.559 -20.988 1.00 0.00 C ATOM 480 CG1 ILE A 33 -6.716 -1.130 -20.244 1.00 0.00 C ATOM 481 CG2 ILE A 33 -9.147 -0.576 -20.064 1.00 0.00 C ATOM 482 CD1 ILE A 33 -6.039 -0.018 -19.442 1.00 0.00 C ATOM 0 H ILE A 33 -6.795 -2.884 -21.764 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.279 -1.408 -22.437 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.720 0.467 -21.292 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.030 -1.934 -19.578 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.011 -1.562 -20.954 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.943 0.030 -19.181 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -10.009 -0.169 -20.592 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.359 -1.601 -19.760 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.177 -0.424 -18.913 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.711 0.771 -20.119 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.746 0.393 -18.722 1.00 0.00 H new ATOM 494 N ASP A 34 -8.230 -0.334 -24.406 1.00 0.00 N ATOM 495 CA ASP A 34 -7.632 0.258 -25.598 1.00 0.00 C ATOM 496 C ASP A 34 -7.967 1.744 -25.681 1.00 0.00 C ATOM 497 O ASP A 34 -9.062 2.124 -26.096 1.00 0.00 O ATOM 498 CB ASP A 34 -8.148 -0.456 -26.848 1.00 0.00 C ATOM 499 CG ASP A 34 -7.965 -1.962 -26.700 1.00 0.00 C ATOM 500 OD1 ASP A 34 -7.685 -2.400 -25.597 1.00 0.00 O ATOM 501 OD2 ASP A 34 -8.109 -2.657 -27.694 1.00 0.00 O ATOM 0 H ASP A 34 -9.250 -0.342 -24.400 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.550 0.144 -25.537 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.202 -0.223 -27.002 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.611 -0.101 -27.728 1.00 0.00 H new ATOM 506 N LEU A 35 -7.015 2.581 -25.280 1.00 0.00 N ATOM 507 CA LEU A 35 -7.215 4.026 -25.310 1.00 0.00 C ATOM 508 C LEU A 35 -7.474 4.510 -26.734 1.00 0.00 C ATOM 509 O LEU A 35 -8.376 5.313 -26.974 1.00 0.00 O ATOM 510 CB LEU A 35 -5.983 4.735 -24.739 1.00 0.00 C ATOM 511 CG LEU A 35 -6.359 5.458 -23.444 1.00 0.00 C ATOM 512 CD1 LEU A 35 -5.087 5.884 -22.708 1.00 0.00 C ATOM 513 CD2 LEU A 35 -7.195 6.698 -23.775 1.00 0.00 C ATOM 0 H LEU A 35 -6.103 2.286 -24.932 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.087 4.264 -24.700 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.191 4.011 -24.546 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.593 5.448 -25.465 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.938 4.787 -22.810 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.356 6.399 -21.786 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.491 5.003 -22.471 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.507 6.554 -23.342 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.463 7.213 -22.852 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.616 7.368 -24.410 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.102 6.396 -24.299 1.00 0.00 H new ATOM 525 N PRO A 36 -6.695 4.043 -27.671 1.00 0.00 N ATOM 526 CA PRO A 36 -6.829 4.437 -29.105 1.00 0.00 C ATOM 527 C PRO A 36 -8.216 4.128 -29.660 1.00 0.00 C ATOM 528 O PRO A 36 -8.701 4.812 -30.560 1.00 0.00 O ATOM 529 CB PRO A 36 -5.760 3.607 -29.826 1.00 0.00 C ATOM 530 CG PRO A 36 -4.808 3.157 -28.766 1.00 0.00 C ATOM 531 CD PRO A 36 -5.601 3.087 -27.465 1.00 0.00 C ATOM 0 HA PRO A 36 -6.699 5.511 -29.240 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.207 2.754 -30.338 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.249 4.201 -30.583 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.385 2.184 -29.014 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.974 3.853 -28.674 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.978 2.081 -27.280 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.987 3.360 -26.607 1.00 0.00 H new ATOM 539 N ASN A 37 -8.847 3.094 -29.118 1.00 0.00 N ATOM 540 CA ASN A 37 -10.177 2.703 -29.568 1.00 0.00 C ATOM 541 C ASN A 37 -11.242 3.204 -28.599 1.00 0.00 C ATOM 542 O ASN A 37 -12.437 3.140 -28.887 1.00 0.00 O ATOM 543 CB ASN A 37 -10.263 1.181 -29.678 1.00 0.00 C ATOM 544 CG ASN A 37 -9.937 0.739 -31.100 1.00 0.00 C ATOM 545 OD1 ASN A 37 -9.053 -0.093 -31.304 1.00 0.00 O ATOM 546 ND2 ASN A 37 -10.599 1.251 -32.101 1.00 0.00 N ATOM 0 H ASN A 37 -8.463 2.515 -28.372 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.354 3.150 -30.546 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.569 0.718 -28.977 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -11.263 0.845 -29.405 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.385 0.962 -33.055 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -11.331 1.940 -31.929 1.00 0.00 H new ATOM 553 N LYS A 38 -10.801 3.695 -27.446 1.00 0.00 N ATOM 554 CA LYS A 38 -11.728 4.196 -26.440 1.00 0.00 C ATOM 555 C LYS A 38 -12.783 3.139 -26.138 1.00 0.00 C ATOM 556 O LYS A 38 -13.956 3.454 -25.938 1.00 0.00 O ATOM 557 CB LYS A 38 -12.405 5.473 -26.941 1.00 0.00 C ATOM 558 CG LYS A 38 -11.428 6.249 -27.825 1.00 0.00 C ATOM 559 CD LYS A 38 -11.879 7.708 -27.926 1.00 0.00 C ATOM 560 CE LYS A 38 -10.881 8.495 -28.775 1.00 0.00 C ATOM 561 NZ LYS A 38 -11.511 9.768 -29.228 1.00 0.00 N ATOM 0 H LYS A 38 -9.816 3.756 -27.187 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.174 4.421 -25.529 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.305 5.225 -27.504 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.717 6.088 -26.097 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.423 6.196 -27.407 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.385 5.801 -28.818 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.873 7.762 -28.371 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.951 8.147 -26.931 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.982 8.707 -28.196 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.573 7.902 -29.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.833 10.305 -29.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.356 9.554 -29.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.784 10.334 -28.400 1.00 0.00 H new ATOM 575 N LYS A 39 -12.352 1.884 -26.109 1.00 0.00 N ATOM 576 CA LYS A 39 -13.256 0.775 -25.835 1.00 0.00 C ATOM 577 C LYS A 39 -12.604 -0.215 -24.879 1.00 0.00 C ATOM 578 O LYS A 39 -11.379 -0.285 -24.788 1.00 0.00 O ATOM 579 CB LYS A 39 -13.619 0.063 -27.139 1.00 0.00 C ATOM 580 CG LYS A 39 -14.742 0.825 -27.846 1.00 0.00 C ATOM 581 CD LYS A 39 -14.813 0.387 -29.311 1.00 0.00 C ATOM 582 CE LYS A 39 -16.205 0.684 -29.874 1.00 0.00 C ATOM 583 NZ LYS A 39 -16.287 2.120 -30.266 1.00 0.00 N ATOM 0 H LYS A 39 -11.383 1.609 -26.272 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.161 1.170 -25.374 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.744 0.001 -27.787 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.935 -0.959 -26.931 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.694 0.632 -27.351 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.562 1.898 -27.785 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.056 0.911 -29.894 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.597 -0.678 -29.392 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.403 0.049 -30.737 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.967 0.455 -29.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.233 2.322 -30.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.116 2.718 -29.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.570 2.323 -30.991 1.00 0.00 H new ATOM 597 N VAL A 40 -13.423 -0.985 -24.173 1.00 0.00 N ATOM 598 CA VAL A 40 -12.902 -1.970 -23.236 1.00 0.00 C ATOM 599 C VAL A 40 -13.507 -3.342 -23.507 1.00 0.00 C ATOM 600 O VAL A 40 -14.724 -3.518 -23.442 1.00 0.00 O ATOM 601 CB VAL A 40 -13.215 -1.553 -21.799 1.00 0.00 C ATOM 602 CG1 VAL A 40 -12.501 -2.496 -20.829 1.00 0.00 C ATOM 603 CG2 VAL A 40 -12.730 -0.120 -21.564 1.00 0.00 C ATOM 0 H VAL A 40 -14.441 -0.947 -24.231 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.822 -2.025 -23.370 1.00 0.00 H new ATOM 0 HB VAL A 40 -14.291 -1.604 -21.633 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.723 -2.200 -19.804 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.845 -3.517 -20.995 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.425 -2.444 -20.997 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -12.954 0.176 -20.539 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.654 -0.068 -21.730 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -13.237 0.554 -22.255 1.00 0.00 H new ATOM 613 N CYS A 41 -12.650 -4.313 -23.798 1.00 0.00 N ATOM 614 CA CYS A 41 -13.112 -5.668 -24.061 1.00 0.00 C ATOM 615 C CYS A 41 -12.829 -6.553 -22.855 1.00 0.00 C ATOM 616 O CYS A 41 -11.673 -6.789 -22.505 1.00 0.00 O ATOM 617 CB CYS A 41 -12.407 -6.237 -25.294 1.00 0.00 C ATOM 618 SG CYS A 41 -13.324 -7.675 -25.900 1.00 0.00 S ATOM 0 H CYS A 41 -11.639 -4.188 -23.857 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.186 -5.643 -24.247 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -12.344 -5.477 -26.073 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -11.385 -6.522 -25.043 1.00 0.00 H new ATOM 0 HG CYS A 41 -12.728 -8.159 -26.949 1.00 0.00 H new ATOM 624 N ILE A 42 -13.889 -7.028 -22.213 1.00 0.00 N ATOM 625 CA ILE A 42 -13.732 -7.869 -21.037 1.00 0.00 C ATOM 626 C ILE A 42 -14.431 -9.208 -21.215 1.00 0.00 C ATOM 627 O ILE A 42 -15.623 -9.261 -21.518 1.00 0.00 O ATOM 628 CB ILE A 42 -14.319 -7.161 -19.818 1.00 0.00 C ATOM 629 CG1 ILE A 42 -13.756 -7.791 -18.543 1.00 0.00 C ATOM 630 CG2 ILE A 42 -15.841 -7.312 -19.827 1.00 0.00 C ATOM 631 CD1 ILE A 42 -14.696 -7.498 -17.372 1.00 0.00 C ATOM 0 H ILE A 42 -14.856 -6.847 -22.484 1.00 0.00 H new ATOM 0 HA ILE A 42 -12.667 -8.050 -20.894 1.00 0.00 H new ATOM 0 HB ILE A 42 -14.056 -6.104 -19.850 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.646 -8.867 -18.674 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -12.763 -7.392 -18.335 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -16.262 -6.807 -18.957 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -16.245 -6.867 -20.736 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -16.102 -8.370 -19.794 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -14.296 -7.947 -16.463 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -14.783 -6.420 -17.237 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -15.680 -7.918 -17.581 1.00 0.00 H new ATOM 643 N GLU A 43 -13.692 -10.288 -20.992 1.00 0.00 N ATOM 644 CA GLU A 43 -14.266 -11.618 -21.098 1.00 0.00 C ATOM 645 C GLU A 43 -14.367 -12.214 -19.703 1.00 0.00 C ATOM 646 O GLU A 43 -13.355 -12.430 -19.037 1.00 0.00 O ATOM 647 CB GLU A 43 -13.392 -12.506 -21.987 1.00 0.00 C ATOM 648 CG GLU A 43 -13.781 -13.973 -21.784 1.00 0.00 C ATOM 649 CD GLU A 43 -13.037 -14.854 -22.783 1.00 0.00 C ATOM 650 OE1 GLU A 43 -12.286 -14.312 -23.578 1.00 0.00 O ATOM 651 OE2 GLU A 43 -13.229 -16.058 -22.739 1.00 0.00 O ATOM 0 H GLU A 43 -12.704 -10.267 -20.739 1.00 0.00 H new ATOM 0 HA GLU A 43 -15.256 -11.556 -21.549 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.517 -12.227 -23.033 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.340 -12.361 -21.742 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.544 -14.283 -20.766 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.857 -14.093 -21.911 1.00 0.00 H new ATOM 658 N SER A 44 -15.590 -12.456 -19.251 1.00 0.00 N ATOM 659 CA SER A 44 -15.793 -12.996 -17.917 1.00 0.00 C ATOM 660 C SER A 44 -16.910 -14.029 -17.900 1.00 0.00 C ATOM 661 O SER A 44 -17.691 -14.139 -18.845 1.00 0.00 O ATOM 662 CB SER A 44 -16.131 -11.866 -16.944 1.00 0.00 C ATOM 663 OG SER A 44 -14.981 -11.053 -16.751 1.00 0.00 O ATOM 0 H SER A 44 -16.445 -12.289 -19.781 1.00 0.00 H new ATOM 0 HA SER A 44 -14.868 -13.485 -17.611 1.00 0.00 H new ATOM 0 HB2 SER A 44 -16.953 -11.267 -17.336 1.00 0.00 H new ATOM 0 HB3 SER A 44 -16.463 -12.278 -15.991 1.00 0.00 H new ATOM 0 HG SER A 44 -15.195 -10.327 -16.129 1.00 0.00 H new ATOM 669 N GLU A 45 -16.971 -14.781 -16.810 1.00 0.00 N ATOM 670 CA GLU A 45 -17.984 -15.808 -16.647 1.00 0.00 C ATOM 671 C GLU A 45 -19.369 -15.177 -16.544 1.00 0.00 C ATOM 672 O GLU A 45 -20.361 -15.753 -16.990 1.00 0.00 O ATOM 673 CB GLU A 45 -17.682 -16.599 -15.379 1.00 0.00 C ATOM 674 CG GLU A 45 -16.206 -17.006 -15.374 1.00 0.00 C ATOM 675 CD GLU A 45 -16.033 -18.335 -14.646 1.00 0.00 C ATOM 676 OE1 GLU A 45 -16.818 -18.603 -13.752 1.00 0.00 O ATOM 677 OE2 GLU A 45 -15.118 -19.064 -14.993 1.00 0.00 O ATOM 0 H GLU A 45 -16.327 -14.697 -16.024 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.971 -16.470 -17.512 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.908 -15.997 -14.499 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.315 -17.485 -15.330 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.841 -17.092 -16.397 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.609 -16.235 -14.887 1.00 0.00 H new ATOM 684 N HIS A 46 -19.424 -13.987 -15.957 1.00 0.00 N ATOM 685 CA HIS A 46 -20.688 -13.277 -15.805 1.00 0.00 C ATOM 686 C HIS A 46 -20.746 -12.092 -16.763 1.00 0.00 C ATOM 687 O HIS A 46 -21.685 -11.956 -17.547 1.00 0.00 O ATOM 688 CB HIS A 46 -20.839 -12.784 -14.364 1.00 0.00 C ATOM 689 CG HIS A 46 -21.629 -13.786 -13.568 1.00 0.00 C ATOM 690 ND1 HIS A 46 -21.211 -15.099 -13.407 1.00 0.00 N ATOM 691 CD2 HIS A 46 -22.809 -13.682 -12.875 1.00 0.00 C ATOM 692 CE1 HIS A 46 -22.127 -15.725 -12.645 1.00 0.00 C ATOM 693 NE2 HIS A 46 -23.122 -14.907 -12.294 1.00 0.00 N ATOM 0 H HIS A 46 -18.613 -13.496 -15.581 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.504 -13.961 -16.039 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -19.857 -12.640 -13.914 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.341 -11.817 -14.351 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -23.405 -12.785 -12.793 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -22.065 -16.763 -12.353 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -23.937 -15.132 -11.723 1.00 0.00 H new ATOM 701 N SER A 47 -19.726 -11.247 -16.694 1.00 0.00 N ATOM 702 CA SER A 47 -19.648 -10.075 -17.559 1.00 0.00 C ATOM 703 C SER A 47 -20.987 -9.348 -17.620 1.00 0.00 C ATOM 704 O SER A 47 -21.631 -9.305 -18.667 1.00 0.00 O ATOM 705 CB SER A 47 -19.233 -10.492 -18.968 1.00 0.00 C ATOM 706 OG SER A 47 -20.371 -10.976 -19.669 1.00 0.00 O ATOM 0 H SER A 47 -18.942 -11.350 -16.050 1.00 0.00 H new ATOM 0 HA SER A 47 -18.903 -9.398 -17.141 1.00 0.00 H new ATOM 0 HB2 SER A 47 -18.799 -9.644 -19.498 1.00 0.00 H new ATOM 0 HB3 SER A 47 -18.466 -11.265 -18.920 1.00 0.00 H new ATOM 0 HG SER A 47 -20.924 -10.220 -19.956 1.00 0.00 H new ATOM 712 N MET A 48 -21.393 -8.768 -16.497 1.00 0.00 N ATOM 713 CA MET A 48 -22.652 -8.035 -16.440 1.00 0.00 C ATOM 714 C MET A 48 -22.861 -7.452 -15.048 1.00 0.00 C ATOM 715 O MET A 48 -23.935 -7.582 -14.461 1.00 0.00 O ATOM 716 CB MET A 48 -23.822 -8.958 -16.793 1.00 0.00 C ATOM 717 CG MET A 48 -25.078 -8.121 -17.051 1.00 0.00 C ATOM 718 SD MET A 48 -26.045 -8.877 -18.381 1.00 0.00 S ATOM 719 CE MET A 48 -27.683 -8.461 -17.736 1.00 0.00 C ATOM 0 H MET A 48 -20.873 -8.790 -15.620 1.00 0.00 H new ATOM 0 HA MET A 48 -22.610 -7.222 -17.165 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.579 -9.548 -17.676 1.00 0.00 H new ATOM 0 HB3 MET A 48 -24.002 -9.661 -15.979 1.00 0.00 H new ATOM 0 HG2 MET A 48 -25.677 -8.056 -16.143 1.00 0.00 H new ATOM 0 HG3 MET A 48 -24.800 -7.103 -17.323 1.00 0.00 H new ATOM 0 HE1 MET A 48 -28.448 -8.840 -18.414 1.00 0.00 H new ATOM 0 HE2 MET A 48 -27.813 -8.914 -16.753 1.00 0.00 H new ATOM 0 HE3 MET A 48 -27.777 -7.378 -17.652 1.00 0.00 H new ATOM 729 N ASP A 49 -21.823 -6.813 -14.532 1.00 0.00 N ATOM 730 CA ASP A 49 -21.882 -6.208 -13.210 1.00 0.00 C ATOM 731 C ASP A 49 -20.493 -5.746 -12.798 1.00 0.00 C ATOM 732 O ASP A 49 -20.339 -4.779 -12.052 1.00 0.00 O ATOM 733 CB ASP A 49 -22.416 -7.218 -12.192 1.00 0.00 C ATOM 734 CG ASP A 49 -21.762 -8.577 -12.415 1.00 0.00 C ATOM 735 OD1 ASP A 49 -21.324 -8.825 -13.526 1.00 0.00 O ATOM 736 OD2 ASP A 49 -21.709 -9.349 -11.472 1.00 0.00 O ATOM 0 H ASP A 49 -20.928 -6.700 -15.009 1.00 0.00 H new ATOM 0 HA ASP A 49 -22.554 -5.350 -13.241 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -22.213 -6.869 -11.180 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -23.498 -7.306 -12.287 1.00 0.00 H new ATOM 741 N THR A 50 -19.482 -6.446 -13.302 1.00 0.00 N ATOM 742 CA THR A 50 -18.102 -6.105 -12.996 1.00 0.00 C ATOM 743 C THR A 50 -17.645 -4.922 -13.846 1.00 0.00 C ATOM 744 O THR A 50 -16.871 -4.080 -13.392 1.00 0.00 O ATOM 745 CB THR A 50 -17.188 -7.310 -13.250 1.00 0.00 C ATOM 746 OG1 THR A 50 -15.840 -6.869 -13.346 1.00 0.00 O ATOM 747 CG2 THR A 50 -17.587 -8.008 -14.554 1.00 0.00 C ATOM 0 H THR A 50 -19.594 -7.249 -13.921 1.00 0.00 H new ATOM 0 HA THR A 50 -18.041 -5.828 -11.943 1.00 0.00 H new ATOM 0 HB THR A 50 -17.289 -8.013 -12.423 1.00 0.00 H new ATOM 0 HG1 THR A 50 -15.431 -7.241 -14.155 1.00 0.00 H new ATOM 0 HG21 THR A 50 -16.932 -8.862 -14.725 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.619 -8.351 -14.482 1.00 0.00 H new ATOM 0 HG23 THR A 50 -17.495 -7.308 -15.384 1.00 0.00 H new ATOM 755 N LEU A 51 -18.120 -4.874 -15.088 1.00 0.00 N ATOM 756 CA LEU A 51 -17.744 -3.797 -16.003 1.00 0.00 C ATOM 757 C LEU A 51 -18.268 -2.437 -15.538 1.00 0.00 C ATOM 758 O LEU A 51 -17.520 -1.461 -15.484 1.00 0.00 O ATOM 759 CB LEU A 51 -18.276 -4.088 -17.413 1.00 0.00 C ATOM 760 CG LEU A 51 -19.487 -5.021 -17.337 1.00 0.00 C ATOM 761 CD1 LEU A 51 -20.431 -4.728 -18.506 1.00 0.00 C ATOM 762 CD2 LEU A 51 -19.012 -6.472 -17.425 1.00 0.00 C ATOM 0 H LEU A 51 -18.761 -5.562 -15.483 1.00 0.00 H new ATOM 0 HA LEU A 51 -16.655 -3.754 -16.016 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -18.556 -3.156 -17.904 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -17.493 -4.545 -18.018 1.00 0.00 H new ATOM 0 HG LEU A 51 -20.012 -4.861 -16.395 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -21.294 -5.392 -18.452 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -20.767 -3.692 -18.452 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -19.906 -4.891 -19.447 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -19.872 -7.140 -17.371 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -18.490 -6.627 -18.369 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -18.335 -6.684 -16.597 1.00 0.00 H new ATOM 774 N LEU A 52 -19.561 -2.368 -15.240 1.00 0.00 N ATOM 775 CA LEU A 52 -20.178 -1.109 -14.828 1.00 0.00 C ATOM 776 C LEU A 52 -19.670 -0.612 -13.473 1.00 0.00 C ATOM 777 O LEU A 52 -19.275 0.545 -13.345 1.00 0.00 O ATOM 778 CB LEU A 52 -21.697 -1.271 -14.770 1.00 0.00 C ATOM 779 CG LEU A 52 -22.051 -2.681 -14.293 1.00 0.00 C ATOM 780 CD1 LEU A 52 -23.342 -2.632 -13.474 1.00 0.00 C ATOM 781 CD2 LEU A 52 -22.253 -3.591 -15.504 1.00 0.00 C ATOM 0 H LEU A 52 -20.200 -3.162 -15.275 1.00 0.00 H new ATOM 0 HA LEU A 52 -19.900 -0.363 -15.573 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -22.125 -0.531 -14.094 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -22.129 -1.091 -15.755 1.00 0.00 H new ATOM 0 HG LEU A 52 -21.242 -3.070 -13.675 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -23.595 -3.636 -13.134 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -23.201 -1.981 -12.611 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -24.151 -2.244 -14.093 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -22.505 -4.596 -15.166 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -23.063 -3.202 -16.121 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -21.335 -3.625 -16.090 1.00 0.00 H new ATOM 793 N ALA A 53 -19.711 -1.467 -12.458 1.00 0.00 N ATOM 794 CA ALA A 53 -19.283 -1.065 -11.120 1.00 0.00 C ATOM 795 C ALA A 53 -17.853 -0.533 -11.113 1.00 0.00 C ATOM 796 O ALA A 53 -17.579 0.512 -10.522 1.00 0.00 O ATOM 797 CB ALA A 53 -19.391 -2.253 -10.163 1.00 0.00 C ATOM 0 H ALA A 53 -20.032 -2.432 -12.532 1.00 0.00 H new ATOM 0 HA ALA A 53 -19.940 -0.259 -10.793 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -19.071 -1.948 -9.167 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -20.425 -2.595 -10.123 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.754 -3.064 -10.516 1.00 0.00 H new ATOM 803 N THR A 54 -16.941 -1.253 -11.750 1.00 0.00 N ATOM 804 CA THR A 54 -15.545 -0.831 -11.778 1.00 0.00 C ATOM 805 C THR A 54 -15.358 0.431 -12.618 1.00 0.00 C ATOM 806 O THR A 54 -14.719 1.390 -12.183 1.00 0.00 O ATOM 807 CB THR A 54 -14.668 -1.949 -12.342 1.00 0.00 C ATOM 808 OG1 THR A 54 -15.039 -3.186 -11.748 1.00 0.00 O ATOM 809 CG2 THR A 54 -13.203 -1.647 -12.025 1.00 0.00 C ATOM 0 H THR A 54 -17.137 -2.121 -12.249 1.00 0.00 H new ATOM 0 HA THR A 54 -15.248 -0.609 -10.753 1.00 0.00 H new ATOM 0 HB THR A 54 -14.802 -2.013 -13.422 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.650 -3.665 -12.345 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.573 -2.441 -12.425 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.921 -0.697 -12.479 1.00 0.00 H new ATOM 0 HG23 THR A 54 -13.069 -1.587 -10.945 1.00 0.00 H new ATOM 817 N LEU A 55 -15.900 0.416 -13.828 1.00 0.00 N ATOM 818 CA LEU A 55 -15.770 1.551 -14.731 1.00 0.00 C ATOM 819 C LEU A 55 -16.414 2.813 -14.152 1.00 0.00 C ATOM 820 O LEU A 55 -15.858 3.906 -14.268 1.00 0.00 O ATOM 821 CB LEU A 55 -16.415 1.203 -16.074 1.00 0.00 C ATOM 822 CG LEU A 55 -15.563 0.144 -16.785 1.00 0.00 C ATOM 823 CD1 LEU A 55 -16.430 -0.661 -17.760 1.00 0.00 C ATOM 824 CD2 LEU A 55 -14.439 0.833 -17.559 1.00 0.00 C ATOM 0 H LEU A 55 -16.433 -0.367 -14.206 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.709 1.759 -14.868 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -17.427 0.828 -15.919 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.498 2.096 -16.693 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.140 -0.531 -16.041 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -15.816 -1.410 -18.260 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.231 -1.156 -17.211 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -16.860 0.010 -18.503 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -13.832 0.082 -18.065 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.868 1.511 -18.297 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.814 1.398 -16.867 1.00 0.00 H new ATOM 836 N LYS A 56 -17.584 2.664 -13.539 1.00 0.00 N ATOM 837 CA LYS A 56 -18.280 3.814 -12.961 1.00 0.00 C ATOM 838 C LYS A 56 -17.450 4.454 -11.853 1.00 0.00 C ATOM 839 O LYS A 56 -17.557 5.654 -11.600 1.00 0.00 O ATOM 840 CB LYS A 56 -19.636 3.386 -12.395 1.00 0.00 C ATOM 841 CG LYS A 56 -20.613 4.559 -12.481 1.00 0.00 C ATOM 842 CD LYS A 56 -20.962 4.822 -13.947 1.00 0.00 C ATOM 843 CE LYS A 56 -22.475 4.985 -14.091 1.00 0.00 C ATOM 844 NZ LYS A 56 -22.926 6.165 -13.300 1.00 0.00 N ATOM 0 H LYS A 56 -18.067 1.772 -13.429 1.00 0.00 H new ATOM 0 HA LYS A 56 -18.432 4.545 -13.755 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -20.023 2.534 -12.953 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -19.526 3.065 -11.359 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -21.517 4.336 -11.915 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -20.170 5.450 -12.036 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -20.454 5.721 -14.297 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -20.614 3.997 -14.568 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -22.739 5.115 -15.141 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -22.983 4.085 -13.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -23.875 6.451 -13.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -22.956 5.916 -12.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -22.262 6.953 -13.442 1.00 0.00 H new ATOM 858 N LYS A 57 -16.628 3.650 -11.192 1.00 0.00 N ATOM 859 CA LYS A 57 -15.791 4.148 -10.112 1.00 0.00 C ATOM 860 C LYS A 57 -15.436 5.619 -10.322 1.00 0.00 C ATOM 861 O LYS A 57 -15.582 6.435 -9.413 1.00 0.00 O ATOM 862 CB LYS A 57 -14.511 3.320 -10.038 1.00 0.00 C ATOM 863 CG LYS A 57 -14.840 1.918 -9.519 1.00 0.00 C ATOM 864 CD LYS A 57 -14.539 1.840 -8.020 1.00 0.00 C ATOM 865 CE LYS A 57 -13.036 2.009 -7.785 1.00 0.00 C ATOM 866 NZ LYS A 57 -12.289 1.594 -9.005 1.00 0.00 N ATOM 0 H LYS A 57 -16.524 2.654 -11.385 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.347 4.061 -9.179 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.049 3.256 -11.023 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.790 3.804 -9.379 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.890 1.689 -9.701 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.253 1.173 -10.057 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.089 2.616 -7.488 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.874 0.882 -7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.810 3.048 -7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.721 1.408 -6.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.270 1.742 -8.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.469 0.588 -9.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.606 2.163 -9.816 1.00 0.00 H new ATOM 880 N THR A 58 -14.959 5.951 -11.519 1.00 0.00 N ATOM 881 CA THR A 58 -14.576 7.327 -11.818 1.00 0.00 C ATOM 882 C THR A 58 -15.782 8.154 -12.260 1.00 0.00 C ATOM 883 O THR A 58 -15.762 9.382 -12.175 1.00 0.00 O ATOM 884 CB THR A 58 -13.512 7.345 -12.918 1.00 0.00 C ATOM 885 OG1 THR A 58 -13.458 6.069 -13.541 1.00 0.00 O ATOM 886 CG2 THR A 58 -12.147 7.676 -12.309 1.00 0.00 C ATOM 0 H THR A 58 -14.830 5.295 -12.289 1.00 0.00 H new ATOM 0 HA THR A 58 -14.172 7.769 -10.907 1.00 0.00 H new ATOM 0 HB THR A 58 -13.768 8.103 -13.659 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.037 6.153 -14.422 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.391 7.688 -13.095 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.189 8.655 -11.831 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.887 6.921 -11.567 1.00 0.00 H new ATOM 894 N GLY A 59 -16.829 7.482 -12.727 1.00 0.00 N ATOM 895 CA GLY A 59 -18.027 8.185 -13.169 1.00 0.00 C ATOM 896 C GLY A 59 -18.097 8.260 -14.692 1.00 0.00 C ATOM 897 O GLY A 59 -18.839 9.069 -15.249 1.00 0.00 O ATOM 0 H GLY A 59 -16.873 6.466 -12.809 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -18.912 7.676 -12.787 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -18.034 9.192 -12.753 1.00 0.00 H new ATOM 901 N ALA A 60 -17.316 7.418 -15.361 1.00 0.00 N ATOM 902 CA ALA A 60 -17.297 7.409 -16.820 1.00 0.00 C ATOM 903 C ALA A 60 -18.555 6.744 -17.372 1.00 0.00 C ATOM 904 O ALA A 60 -19.031 5.744 -16.834 1.00 0.00 O ATOM 905 CB ALA A 60 -16.058 6.664 -17.319 1.00 0.00 C ATOM 0 H ALA A 60 -16.694 6.739 -14.922 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.266 8.440 -17.171 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -16.050 6.661 -18.409 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -15.161 7.162 -16.951 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -16.079 5.637 -16.953 1.00 0.00 H new ATOM 911 N THR A 61 -19.091 7.317 -18.447 1.00 0.00 N ATOM 912 CA THR A 61 -20.300 6.786 -19.071 1.00 0.00 C ATOM 913 C THR A 61 -20.086 5.349 -19.539 1.00 0.00 C ATOM 914 O THR A 61 -19.059 5.027 -20.135 1.00 0.00 O ATOM 915 CB THR A 61 -20.693 7.662 -20.265 1.00 0.00 C ATOM 916 OG1 THR A 61 -19.729 8.693 -20.430 1.00 0.00 O ATOM 917 CG2 THR A 61 -22.069 8.282 -20.021 1.00 0.00 C ATOM 0 H THR A 61 -18.709 8.146 -18.903 1.00 0.00 H new ATOM 0 HA THR A 61 -21.100 6.793 -18.331 1.00 0.00 H new ATOM 0 HB THR A 61 -20.731 7.050 -21.166 1.00 0.00 H new ATOM 0 HG1 THR A 61 -19.977 9.254 -21.194 1.00 0.00 H new ATOM 0 HG21 THR A 61 -22.344 8.904 -20.873 1.00 0.00 H new ATOM 0 HG22 THR A 61 -22.808 7.490 -19.896 1.00 0.00 H new ATOM 0 HG23 THR A 61 -22.038 8.894 -19.120 1.00 0.00 H new ATOM 925 N VAL A 62 -21.064 4.490 -19.261 1.00 0.00 N ATOM 926 CA VAL A 62 -20.982 3.094 -19.651 1.00 0.00 C ATOM 927 C VAL A 62 -22.001 2.782 -20.744 1.00 0.00 C ATOM 928 O VAL A 62 -23.022 3.460 -20.862 1.00 0.00 O ATOM 929 CB VAL A 62 -21.253 2.216 -18.436 1.00 0.00 C ATOM 930 CG1 VAL A 62 -20.207 2.492 -17.354 1.00 0.00 C ATOM 931 CG2 VAL A 62 -22.648 2.526 -17.890 1.00 0.00 C ATOM 0 H VAL A 62 -21.920 4.741 -18.767 1.00 0.00 H new ATOM 0 HA VAL A 62 -19.983 2.894 -20.039 1.00 0.00 H new ATOM 0 HB VAL A 62 -21.198 1.167 -18.727 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -20.405 1.862 -16.487 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -19.213 2.271 -17.744 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -20.256 3.540 -17.059 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -22.846 1.900 -17.020 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -22.701 3.576 -17.601 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -23.393 2.324 -18.660 1.00 0.00 H new ATOM 941 N SER A 63 -21.721 1.752 -21.539 1.00 0.00 N ATOM 942 CA SER A 63 -22.628 1.364 -22.616 1.00 0.00 C ATOM 943 C SER A 63 -22.778 -0.155 -22.683 1.00 0.00 C ATOM 944 O SER A 63 -21.832 -0.867 -23.019 1.00 0.00 O ATOM 945 CB SER A 63 -22.101 1.881 -23.954 1.00 0.00 C ATOM 946 OG SER A 63 -22.940 1.415 -25.003 1.00 0.00 O ATOM 0 H SER A 63 -20.883 1.176 -21.460 1.00 0.00 H new ATOM 0 HA SER A 63 -23.604 1.803 -22.411 1.00 0.00 H new ATOM 0 HB2 SER A 63 -22.075 2.971 -23.951 1.00 0.00 H new ATOM 0 HB3 SER A 63 -21.078 1.538 -24.112 1.00 0.00 H new ATOM 0 HG SER A 63 -22.605 1.747 -25.862 1.00 0.00 H new ATOM 952 N TYR A 64 -23.977 -0.638 -22.369 1.00 0.00 N ATOM 953 CA TYR A 64 -24.253 -2.070 -22.402 1.00 0.00 C ATOM 954 C TYR A 64 -24.779 -2.480 -23.775 1.00 0.00 C ATOM 955 O TYR A 64 -25.923 -2.187 -24.124 1.00 0.00 O ATOM 956 CB TYR A 64 -25.286 -2.424 -21.327 1.00 0.00 C ATOM 957 CG TYR A 64 -26.029 -3.679 -21.723 1.00 0.00 C ATOM 958 CD1 TYR A 64 -25.404 -4.927 -21.619 1.00 0.00 C ATOM 959 CD2 TYR A 64 -27.345 -3.592 -22.193 1.00 0.00 C ATOM 960 CE1 TYR A 64 -26.095 -6.088 -21.986 1.00 0.00 C ATOM 961 CE2 TYR A 64 -28.037 -4.753 -22.558 1.00 0.00 C ATOM 962 CZ TYR A 64 -27.412 -6.001 -22.456 1.00 0.00 C ATOM 963 OH TYR A 64 -28.094 -7.146 -22.816 1.00 0.00 O ATOM 0 H TYR A 64 -24.770 -0.061 -22.090 1.00 0.00 H new ATOM 0 HA TYR A 64 -23.326 -2.609 -22.206 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -24.790 -2.572 -20.368 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -25.988 -1.600 -21.199 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -24.389 -4.994 -21.256 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -27.827 -2.629 -22.274 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -25.613 -7.051 -21.907 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -29.053 -4.686 -22.918 1.00 0.00 H new ATOM 0 HH TYR A 64 -28.995 -6.908 -23.119 1.00 0.00 H new ATOM 973 N LEU A 65 -23.938 -3.159 -24.549 1.00 0.00 N ATOM 974 CA LEU A 65 -24.333 -3.602 -25.882 1.00 0.00 C ATOM 975 C LEU A 65 -25.102 -4.917 -25.806 1.00 0.00 C ATOM 976 O LEU A 65 -26.191 -5.043 -26.365 1.00 0.00 O ATOM 977 CB LEU A 65 -23.093 -3.785 -26.760 1.00 0.00 C ATOM 978 CG LEU A 65 -22.461 -2.422 -27.047 1.00 0.00 C ATOM 979 CD1 LEU A 65 -21.031 -2.620 -27.555 1.00 0.00 C ATOM 980 CD2 LEU A 65 -23.285 -1.689 -28.110 1.00 0.00 C ATOM 0 H LEU A 65 -22.987 -3.413 -24.280 1.00 0.00 H new ATOM 0 HA LEU A 65 -24.980 -2.841 -26.319 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.373 -4.433 -26.260 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -23.366 -4.274 -27.695 1.00 0.00 H new ATOM 0 HG LEU A 65 -22.443 -1.830 -26.132 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -20.580 -1.649 -27.760 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.445 -3.140 -26.798 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -21.049 -3.212 -28.470 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -22.834 -0.718 -28.314 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -23.305 -2.279 -29.026 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -24.303 -1.547 -27.747 1.00 0.00 H new ATOM 992 N GLY A 66 -24.528 -5.894 -25.111 1.00 0.00 N ATOM 993 CA GLY A 66 -25.169 -7.196 -24.969 1.00 0.00 C ATOM 994 C GLY A 66 -24.145 -8.274 -24.630 1.00 0.00 C ATOM 995 O GLY A 66 -22.960 -7.986 -24.458 1.00 0.00 O ATOM 0 H GLY A 66 -23.627 -5.810 -24.641 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -25.926 -7.149 -24.186 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -25.683 -7.455 -25.895 1.00 0.00 H new