USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=17 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 24 ASN : amide:sc= 1.08 K(o=1.1,f=-0.12) USER MOD Set 1.2: A 31 TYR OH : rot 180:sc= 0.024 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -6.57! C(o=-6.6!,f=-11!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -174:sc= -0.106 (180deg=-0.179) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -75:sc= 0.233 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -148:sc= -1.95! (180deg=-3.82!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.0067) 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= 0.148 USER MOD Single : A 44 SER OG : rot 140:sc= -0.0607 USER MOD Single : A 46 HIS : no HD1:sc= -0.322 X(o=-0.32,f=-0.65) USER MOD Single : A 47 SER OG : rot 67:sc= 0.00484 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 88:sc= 0.4 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 130:sc= -0.71 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0839 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 -17.257 -16.654 -22.238 1.00 0.00 N ATOM 21 CA PRO A 2 -18.072 -15.595 -22.896 1.00 0.00 C ATOM 22 C PRO A 2 -17.385 -14.231 -22.850 1.00 0.00 C ATOM 23 O PRO A 2 -16.688 -13.910 -21.887 1.00 0.00 O ATOM 24 CB PRO A 2 -19.364 -15.583 -22.080 1.00 0.00 C ATOM 25 CG PRO A 2 -18.978 -16.062 -20.718 1.00 0.00 C ATOM 26 CD PRO A 2 -17.761 -16.976 -20.893 1.00 0.00 C ATOM 0 HA PRO A 2 -18.231 -15.795 -23.956 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -19.792 -14.582 -22.037 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -20.117 -16.233 -22.526 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -18.738 -15.221 -20.067 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -19.802 -16.602 -20.251 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -17.007 -16.786 -20.129 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -18.038 -18.027 -20.813 1.00 0.00 H new ATOM 34 N LYS A 3 -17.588 -13.433 -23.894 1.00 0.00 N ATOM 35 CA LYS A 3 -16.982 -12.107 -23.958 1.00 0.00 C ATOM 36 C LYS A 3 -18.041 -11.023 -23.796 1.00 0.00 C ATOM 37 O LYS A 3 -19.137 -11.124 -24.348 1.00 0.00 O ATOM 38 CB LYS A 3 -16.263 -11.924 -25.296 1.00 0.00 C ATOM 39 CG LYS A 3 -15.084 -12.892 -25.378 1.00 0.00 C ATOM 40 CD LYS A 3 -15.084 -13.579 -26.744 1.00 0.00 C ATOM 41 CE LYS A 3 -13.713 -14.205 -27.003 1.00 0.00 C ATOM 42 NZ LYS A 3 -13.641 -14.671 -28.417 1.00 0.00 N ATOM 0 H LYS A 3 -18.162 -13.678 -24.701 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.263 -12.020 -23.144 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.954 -12.105 -26.120 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -15.911 -10.897 -25.394 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -14.147 -12.355 -25.229 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -15.154 -13.636 -24.585 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.857 -14.346 -26.776 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -15.319 -12.857 -27.526 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -12.926 -13.477 -26.808 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -13.549 -15.042 -26.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -12.709 -15.097 -28.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.384 -15.379 -28.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.780 -13.863 -29.056 1.00 0.00 H new ATOM 56 N HIS A 4 -17.706 -9.983 -23.040 1.00 0.00 N ATOM 57 CA HIS A 4 -18.637 -8.882 -22.814 1.00 0.00 C ATOM 58 C HIS A 4 -18.011 -7.558 -23.233 1.00 0.00 C ATOM 59 O HIS A 4 -16.903 -7.224 -22.812 1.00 0.00 O ATOM 60 CB HIS A 4 -19.023 -8.818 -21.336 1.00 0.00 C ATOM 61 CG HIS A 4 -20.061 -7.749 -21.133 1.00 0.00 C ATOM 62 ND1 HIS A 4 -20.017 -6.539 -21.806 1.00 0.00 N ATOM 63 CD2 HIS A 4 -21.176 -7.693 -20.333 1.00 0.00 C ATOM 64 CE1 HIS A 4 -21.075 -5.811 -21.403 1.00 0.00 C ATOM 65 NE2 HIS A 4 -21.815 -6.469 -20.506 1.00 0.00 N ATOM 0 H HIS A 4 -16.804 -9.879 -22.576 1.00 0.00 H new ATOM 0 HA HIS A 4 -19.529 -9.057 -23.415 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -19.411 -9.783 -21.009 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -18.143 -8.605 -20.729 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -21.507 -8.479 -19.670 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -21.298 -4.817 -21.761 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -22.666 -6.144 -20.047 1.00 0.00 H new ATOM 73 N GLU A 5 -18.724 -6.804 -24.063 1.00 0.00 N ATOM 74 CA GLU A 5 -18.222 -5.517 -24.528 1.00 0.00 C ATOM 75 C GLU A 5 -19.041 -4.376 -23.936 1.00 0.00 C ATOM 76 O GLU A 5 -20.270 -4.382 -24.000 1.00 0.00 O ATOM 77 CB GLU A 5 -18.281 -5.450 -26.055 1.00 0.00 C ATOM 78 CG GLU A 5 -19.663 -5.895 -26.535 1.00 0.00 C ATOM 79 CD GLU A 5 -19.762 -5.741 -28.048 1.00 0.00 C ATOM 80 OE1 GLU A 5 -19.170 -4.810 -28.569 1.00 0.00 O ATOM 81 OE2 GLU A 5 -20.429 -6.556 -28.665 1.00 0.00 O ATOM 0 H GLU A 5 -19.643 -7.059 -24.425 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.187 -5.415 -24.201 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -18.077 -4.434 -26.393 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.511 -6.090 -26.487 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -19.838 -6.934 -26.254 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -20.436 -5.299 -26.049 1.00 0.00 H new ATOM 88 N PHE A 6 -18.350 -3.397 -23.362 1.00 0.00 N ATOM 89 CA PHE A 6 -19.022 -2.252 -22.762 1.00 0.00 C ATOM 90 C PHE A 6 -18.465 -0.951 -23.338 1.00 0.00 C ATOM 91 O PHE A 6 -17.260 -0.820 -23.550 1.00 0.00 O ATOM 92 CB PHE A 6 -18.828 -2.272 -21.243 1.00 0.00 C ATOM 93 CG PHE A 6 -20.169 -2.161 -20.554 1.00 0.00 C ATOM 94 CD1 PHE A 6 -20.902 -0.971 -20.635 1.00 0.00 C ATOM 95 CD2 PHE A 6 -20.675 -3.247 -19.830 1.00 0.00 C ATOM 96 CE1 PHE A 6 -22.141 -0.868 -19.991 1.00 0.00 C ATOM 97 CE2 PHE A 6 -21.913 -3.143 -19.186 1.00 0.00 C ATOM 98 CZ PHE A 6 -22.646 -1.954 -19.266 1.00 0.00 C ATOM 0 H PHE A 6 -17.332 -3.373 -23.300 1.00 0.00 H new ATOM 0 HA PHE A 6 -20.086 -2.311 -22.989 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -18.330 -3.194 -20.943 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -18.183 -1.448 -20.939 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -20.512 -0.133 -21.194 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -20.110 -4.165 -19.768 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -22.707 0.049 -20.054 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -22.303 -3.981 -18.627 1.00 0.00 H new ATOM 0 HZ PHE A 6 -23.601 -1.874 -18.769 1.00 0.00 H new ATOM 108 N SER A 7 -19.353 0.006 -23.592 1.00 0.00 N ATOM 109 CA SER A 7 -18.941 1.291 -24.149 1.00 0.00 C ATOM 110 C SER A 7 -18.800 2.335 -23.045 1.00 0.00 C ATOM 111 O SER A 7 -19.788 2.738 -22.429 1.00 0.00 O ATOM 112 CB SER A 7 -19.972 1.765 -25.174 1.00 0.00 C ATOM 113 OG SER A 7 -19.308 2.100 -26.386 1.00 0.00 O ATOM 0 H SER A 7 -20.355 -0.082 -23.423 1.00 0.00 H new ATOM 0 HA SER A 7 -17.974 1.164 -24.636 1.00 0.00 H new ATOM 0 HB2 SER A 7 -20.710 0.983 -25.354 1.00 0.00 H new ATOM 0 HB3 SER A 7 -20.512 2.630 -24.790 1.00 0.00 H new ATOM 0 HG SER A 7 -19.966 2.403 -27.046 1.00 0.00 H new ATOM 119 N VAL A 8 -17.568 2.769 -22.797 1.00 0.00 N ATOM 120 CA VAL A 8 -17.319 3.765 -21.762 1.00 0.00 C ATOM 121 C VAL A 8 -16.440 4.896 -22.289 1.00 0.00 C ATOM 122 O VAL A 8 -15.366 4.656 -22.839 1.00 0.00 O ATOM 123 CB VAL A 8 -16.635 3.110 -20.561 1.00 0.00 C ATOM 124 CG1 VAL A 8 -15.157 2.874 -20.877 1.00 0.00 C ATOM 125 CG2 VAL A 8 -16.753 4.031 -19.345 1.00 0.00 C ATOM 0 H VAL A 8 -16.735 2.451 -23.293 1.00 0.00 H new ATOM 0 HA VAL A 8 -18.279 4.182 -21.458 1.00 0.00 H new ATOM 0 HB VAL A 8 -17.116 2.156 -20.346 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.672 2.407 -20.020 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.070 2.219 -21.744 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.674 3.827 -21.093 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.266 3.566 -18.488 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.272 4.984 -19.563 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.805 4.200 -19.117 1.00 0.00 H new ATOM 135 N ASP A 9 -16.897 6.130 -22.100 1.00 0.00 N ATOM 136 CA ASP A 9 -16.135 7.291 -22.543 1.00 0.00 C ATOM 137 C ASP A 9 -15.088 7.646 -21.494 1.00 0.00 C ATOM 138 O ASP A 9 -15.427 8.012 -20.369 1.00 0.00 O ATOM 139 CB ASP A 9 -17.071 8.483 -22.763 1.00 0.00 C ATOM 140 CG ASP A 9 -16.704 9.201 -24.057 1.00 0.00 C ATOM 141 OD1 ASP A 9 -15.529 9.230 -24.384 1.00 0.00 O ATOM 142 OD2 ASP A 9 -17.604 9.712 -24.702 1.00 0.00 O ATOM 0 H ASP A 9 -17.784 6.350 -21.647 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.639 7.053 -23.484 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -18.105 8.141 -22.808 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -16.999 9.172 -21.922 1.00 0.00 H new ATOM 147 N MET A 10 -13.818 7.519 -21.859 1.00 0.00 N ATOM 148 CA MET A 10 -12.744 7.816 -20.922 1.00 0.00 C ATOM 149 C MET A 10 -12.722 9.301 -20.577 1.00 0.00 C ATOM 150 O MET A 10 -12.476 10.149 -21.435 1.00 0.00 O ATOM 151 CB MET A 10 -11.401 7.413 -21.531 1.00 0.00 C ATOM 152 CG MET A 10 -10.278 7.704 -20.534 1.00 0.00 C ATOM 153 SD MET A 10 -9.794 9.443 -20.667 1.00 0.00 S ATOM 154 CE MET A 10 -8.404 9.203 -21.800 1.00 0.00 C ATOM 0 H MET A 10 -13.510 7.217 -22.783 1.00 0.00 H new ATOM 0 HA MET A 10 -12.918 7.249 -20.008 1.00 0.00 H new ATOM 0 HB2 MET A 10 -11.409 6.353 -21.786 1.00 0.00 H new ATOM 0 HB3 MET A 10 -11.231 7.962 -22.457 1.00 0.00 H new ATOM 0 HG2 MET A 10 -10.611 7.484 -19.520 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.422 7.060 -20.735 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.881 10.149 -21.940 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.717 8.467 -21.382 1.00 0.00 H new ATOM 0 HE3 MET A 10 -8.775 8.848 -22.761 1.00 0.00 H new ATOM 164 N THR A 11 -12.974 9.602 -19.307 1.00 0.00 N ATOM 165 CA THR A 11 -12.974 10.981 -18.838 1.00 0.00 C ATOM 166 C THR A 11 -11.784 11.225 -17.917 1.00 0.00 C ATOM 167 O THR A 11 -11.198 12.308 -17.914 1.00 0.00 O ATOM 168 CB THR A 11 -14.273 11.278 -18.084 1.00 0.00 C ATOM 169 OG1 THR A 11 -15.374 10.773 -18.827 1.00 0.00 O ATOM 170 CG2 THR A 11 -14.426 12.788 -17.902 1.00 0.00 C ATOM 0 H THR A 11 -13.180 8.910 -18.586 1.00 0.00 H new ATOM 0 HA THR A 11 -12.898 11.642 -19.702 1.00 0.00 H new ATOM 0 HB THR A 11 -14.244 10.799 -17.105 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.207 10.960 -18.346 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.351 12.998 -17.365 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.580 13.173 -17.332 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.456 13.271 -18.879 1.00 0.00 H new ATOM 178 N CYS A 12 -11.443 10.209 -17.131 1.00 0.00 N ATOM 179 CA CYS A 12 -10.331 10.312 -16.194 1.00 0.00 C ATOM 180 C CYS A 12 -9.132 9.503 -16.675 1.00 0.00 C ATOM 181 O CYS A 12 -8.468 8.846 -15.878 1.00 0.00 O ATOM 182 CB CYS A 12 -10.767 9.807 -14.819 1.00 0.00 C ATOM 183 SG CYS A 12 -11.434 11.186 -13.853 1.00 0.00 S ATOM 0 H CYS A 12 -11.920 9.307 -17.124 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.037 11.360 -16.128 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -11.521 9.027 -14.928 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.920 9.360 -14.298 1.00 0.00 H new ATOM 0 HG CYS A 12 -11.807 10.757 -12.684 1.00 0.00 H new ATOM 189 N GLY A 13 -8.859 9.559 -17.978 1.00 0.00 N ATOM 190 CA GLY A 13 -7.729 8.825 -18.548 1.00 0.00 C ATOM 191 C GLY A 13 -6.738 8.420 -17.462 1.00 0.00 C ATOM 192 O GLY A 13 -6.404 7.243 -17.318 1.00 0.00 O ATOM 0 H GLY A 13 -9.399 10.100 -18.654 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.091 7.936 -19.065 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.227 9.444 -19.292 1.00 0.00 H new ATOM 196 N GLY A 14 -6.281 9.403 -16.695 1.00 0.00 N ATOM 197 CA GLY A 14 -5.338 9.144 -15.614 1.00 0.00 C ATOM 198 C GLY A 14 -5.971 8.280 -14.526 1.00 0.00 C ATOM 199 O GLY A 14 -5.400 7.271 -14.111 1.00 0.00 O ATOM 0 H GLY A 14 -6.547 10.382 -16.801 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.454 8.645 -16.011 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.005 10.089 -15.184 1.00 0.00 H new ATOM 203 N CYS A 15 -7.150 8.686 -14.058 1.00 0.00 N ATOM 204 CA CYS A 15 -7.843 7.942 -13.009 1.00 0.00 C ATOM 205 C CYS A 15 -8.683 6.807 -13.593 1.00 0.00 C ATOM 206 O CYS A 15 -8.688 5.698 -13.062 1.00 0.00 O ATOM 207 CB CYS A 15 -8.738 8.886 -12.202 1.00 0.00 C ATOM 208 SG CYS A 15 -8.227 8.862 -10.466 1.00 0.00 S ATOM 0 H CYS A 15 -7.641 9.518 -14.385 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.089 7.504 -12.354 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.668 9.899 -12.599 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.781 8.580 -12.290 1.00 0.00 H new ATOM 0 HG CYS A 15 -8.985 9.665 -9.780 1.00 0.00 H new ATOM 214 N ALA A 16 -9.395 7.085 -14.683 1.00 0.00 N ATOM 215 CA ALA A 16 -10.229 6.061 -15.310 1.00 0.00 C ATOM 216 C ALA A 16 -9.401 4.820 -15.626 1.00 0.00 C ATOM 217 O ALA A 16 -9.892 3.696 -15.526 1.00 0.00 O ATOM 218 CB ALA A 16 -10.840 6.605 -16.602 1.00 0.00 C ATOM 0 H ALA A 16 -9.413 7.994 -15.144 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.025 5.791 -14.616 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.460 5.836 -17.063 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.453 7.478 -16.376 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.043 6.890 -17.290 1.00 0.00 H new ATOM 224 N GLU A 17 -8.143 5.028 -16.000 1.00 0.00 N ATOM 225 CA GLU A 17 -7.262 3.911 -16.318 1.00 0.00 C ATOM 226 C GLU A 17 -6.948 3.114 -15.057 1.00 0.00 C ATOM 227 O GLU A 17 -6.990 1.885 -15.059 1.00 0.00 O ATOM 228 CB GLU A 17 -5.963 4.425 -16.941 1.00 0.00 C ATOM 229 CG GLU A 17 -4.880 3.351 -16.821 1.00 0.00 C ATOM 230 CD GLU A 17 -4.092 3.544 -15.530 1.00 0.00 C ATOM 231 OE1 GLU A 17 -4.049 4.663 -15.047 1.00 0.00 O ATOM 232 OE2 GLU A 17 -3.542 2.570 -15.044 1.00 0.00 O ATOM 0 H GLU A 17 -7.714 5.949 -16.090 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.767 3.262 -17.033 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.125 4.678 -17.989 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.642 5.338 -16.439 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.336 2.361 -16.834 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.208 3.404 -17.678 1.00 0.00 H new ATOM 239 N ALA A 18 -6.640 3.826 -13.977 1.00 0.00 N ATOM 240 CA ALA A 18 -6.329 3.177 -12.710 1.00 0.00 C ATOM 241 C ALA A 18 -7.565 2.466 -12.168 1.00 0.00 C ATOM 242 O ALA A 18 -7.461 1.446 -11.488 1.00 0.00 O ATOM 243 CB ALA A 18 -5.843 4.213 -11.695 1.00 0.00 C ATOM 0 H ALA A 18 -6.599 4.845 -13.954 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.540 2.443 -12.877 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.613 3.718 -10.751 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.947 4.703 -12.076 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.622 4.958 -11.534 1.00 0.00 H new ATOM 249 N VAL A 19 -8.735 3.012 -12.486 1.00 0.00 N ATOM 250 CA VAL A 19 -9.991 2.422 -12.039 1.00 0.00 C ATOM 251 C VAL A 19 -10.143 1.017 -12.615 1.00 0.00 C ATOM 252 O VAL A 19 -10.657 0.118 -11.954 1.00 0.00 O ATOM 253 CB VAL A 19 -11.170 3.309 -12.471 1.00 0.00 C ATOM 254 CG1 VAL A 19 -12.308 2.449 -13.031 1.00 0.00 C ATOM 255 CG2 VAL A 19 -11.683 4.094 -11.261 1.00 0.00 C ATOM 0 H VAL A 19 -8.839 3.857 -13.048 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.985 2.353 -10.951 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.829 3.995 -13.246 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.135 3.092 -13.332 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.950 1.889 -13.895 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.650 1.753 -12.264 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -12.519 4.724 -11.564 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.014 3.398 -10.490 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.882 4.719 -10.867 1.00 0.00 H new ATOM 265 N SER A 20 -9.702 0.843 -13.856 1.00 0.00 N ATOM 266 CA SER A 20 -9.804 -0.454 -14.520 1.00 0.00 C ATOM 267 C SER A 20 -9.093 -1.542 -13.717 1.00 0.00 C ATOM 268 O SER A 20 -9.526 -2.694 -13.701 1.00 0.00 O ATOM 269 CB SER A 20 -9.189 -0.370 -15.917 1.00 0.00 C ATOM 270 OG SER A 20 -7.773 -0.342 -15.805 1.00 0.00 O ATOM 0 H SER A 20 -9.273 1.577 -14.420 1.00 0.00 H new ATOM 0 HA SER A 20 -10.860 -0.714 -14.595 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.501 -1.225 -16.516 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.543 0.525 -16.430 1.00 0.00 H new ATOM 0 HG SER A 20 -7.487 0.542 -15.495 1.00 0.00 H new ATOM 276 N ARG A 21 -8.000 -1.174 -13.059 1.00 0.00 N ATOM 277 CA ARG A 21 -7.239 -2.136 -12.266 1.00 0.00 C ATOM 278 C ARG A 21 -8.117 -2.786 -11.197 1.00 0.00 C ATOM 279 O ARG A 21 -8.017 -3.986 -10.946 1.00 0.00 O ATOM 280 CB ARG A 21 -6.048 -1.436 -11.603 1.00 0.00 C ATOM 281 CG ARG A 21 -5.151 -0.831 -12.686 1.00 0.00 C ATOM 282 CD ARG A 21 -3.691 -0.882 -12.231 1.00 0.00 C ATOM 283 NE ARG A 21 -3.113 -2.189 -12.529 1.00 0.00 N ATOM 284 CZ ARG A 21 -2.948 -3.107 -11.580 1.00 0.00 C ATOM 285 NH1 ARG A 21 -3.320 -2.859 -10.353 1.00 0.00 N ATOM 286 NH2 ARG A 21 -2.416 -4.261 -11.877 1.00 0.00 N ATOM 0 H ARG A 21 -7.622 -0.226 -13.057 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.878 -2.918 -12.934 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.400 -0.656 -10.928 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.482 -2.147 -11.001 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.271 -1.380 -13.620 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.445 0.200 -12.882 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.119 -0.101 -12.732 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.629 -0.685 -11.161 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.830 -2.403 -13.485 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.739 -1.959 -10.119 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.192 -3.565 -9.629 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.127 -4.458 -12.835 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.289 -4.966 -11.151 1.00 0.00 H new ATOM 300 N VAL A 22 -8.972 -1.986 -10.567 1.00 0.00 N ATOM 301 CA VAL A 22 -9.860 -2.493 -9.522 1.00 0.00 C ATOM 302 C VAL A 22 -10.814 -3.555 -10.074 1.00 0.00 C ATOM 303 O VAL A 22 -11.388 -4.338 -9.317 1.00 0.00 O ATOM 304 CB VAL A 22 -10.660 -1.343 -8.902 1.00 0.00 C ATOM 305 CG1 VAL A 22 -9.730 -0.154 -8.646 1.00 0.00 C ATOM 306 CG2 VAL A 22 -11.785 -0.913 -9.850 1.00 0.00 C ATOM 0 H VAL A 22 -9.070 -0.989 -10.759 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.242 -2.956 -8.752 1.00 0.00 H new ATOM 0 HB VAL A 22 -11.095 -1.680 -7.961 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.299 0.664 -8.205 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.936 -0.454 -7.962 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.292 0.175 -9.588 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.348 -0.095 -9.400 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.357 -0.581 -10.796 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -12.452 -1.756 -10.029 1.00 0.00 H new ATOM 316 N LEU A 23 -10.991 -3.567 -11.392 1.00 0.00 N ATOM 317 CA LEU A 23 -11.895 -4.525 -12.025 1.00 0.00 C ATOM 318 C LEU A 23 -11.478 -5.958 -11.719 1.00 0.00 C ATOM 319 O LEU A 23 -12.322 -6.843 -11.601 1.00 0.00 O ATOM 320 CB LEU A 23 -11.905 -4.328 -13.542 1.00 0.00 C ATOM 321 CG LEU A 23 -13.001 -5.201 -14.155 1.00 0.00 C ATOM 322 CD1 LEU A 23 -13.660 -4.457 -15.318 1.00 0.00 C ATOM 323 CD2 LEU A 23 -12.385 -6.505 -14.665 1.00 0.00 C ATOM 0 H LEU A 23 -10.525 -2.930 -12.039 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.892 -4.349 -11.622 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.081 -3.280 -13.783 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.935 -4.593 -13.962 1.00 0.00 H new ATOM 0 HG LEU A 23 -13.753 -5.425 -13.398 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -14.441 -5.081 -15.753 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -14.099 -3.528 -14.954 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -12.911 -4.231 -16.077 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -13.164 -7.129 -15.102 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.633 -6.281 -15.421 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.918 -7.036 -13.835 1.00 0.00 H new ATOM 335 N ASN A 24 -10.178 -6.187 -11.601 1.00 0.00 N ATOM 336 CA ASN A 24 -9.682 -7.529 -11.319 1.00 0.00 C ATOM 337 C ASN A 24 -10.364 -8.101 -10.079 1.00 0.00 C ATOM 338 O ASN A 24 -10.656 -9.296 -10.018 1.00 0.00 O ATOM 339 CB ASN A 24 -8.170 -7.488 -11.098 1.00 0.00 C ATOM 340 CG ASN A 24 -7.447 -7.498 -12.442 1.00 0.00 C ATOM 341 OD1 ASN A 24 -7.061 -8.559 -12.932 1.00 0.00 O ATOM 342 ND2 ASN A 24 -7.240 -6.372 -13.069 1.00 0.00 N ATOM 0 H ASN A 24 -9.455 -5.473 -11.694 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.908 -8.169 -12.172 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.900 -6.593 -10.537 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.858 -8.345 -10.501 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.757 -6.370 -13.968 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.561 -5.494 -12.660 1.00 0.00 H new ATOM 349 N LYS A 25 -10.616 -7.246 -9.094 1.00 0.00 N ATOM 350 CA LYS A 25 -11.265 -7.684 -7.863 1.00 0.00 C ATOM 351 C LYS A 25 -12.718 -8.079 -8.129 1.00 0.00 C ATOM 352 O LYS A 25 -13.188 -9.109 -7.645 1.00 0.00 O ATOM 353 CB LYS A 25 -11.197 -6.562 -6.814 1.00 0.00 C ATOM 354 CG LYS A 25 -12.480 -6.526 -5.972 1.00 0.00 C ATOM 355 CD LYS A 25 -12.695 -7.878 -5.285 1.00 0.00 C ATOM 356 CE LYS A 25 -12.275 -7.778 -3.818 1.00 0.00 C ATOM 357 NZ LYS A 25 -12.062 -9.147 -3.268 1.00 0.00 N ATOM 0 H LYS A 25 -10.383 -6.253 -9.122 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.741 -8.561 -7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.335 -6.716 -6.165 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.055 -5.602 -7.310 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.412 -5.736 -5.224 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.335 -6.291 -6.607 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.743 -8.171 -5.355 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.114 -8.650 -5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.360 -7.193 -3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.042 -7.259 -3.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.776 -9.080 -2.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.945 -9.691 -3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.315 -9.627 -3.810 1.00 0.00 H new ATOM 371 N LEU A 26 -13.425 -7.251 -8.895 1.00 0.00 N ATOM 372 CA LEU A 26 -14.822 -7.519 -9.211 1.00 0.00 C ATOM 373 C LEU A 26 -14.938 -8.628 -10.253 1.00 0.00 C ATOM 374 O LEU A 26 -15.804 -9.498 -10.155 1.00 0.00 O ATOM 375 CB LEU A 26 -15.463 -6.243 -9.758 1.00 0.00 C ATOM 376 CG LEU A 26 -16.964 -6.236 -9.471 1.00 0.00 C ATOM 377 CD1 LEU A 26 -17.578 -7.586 -9.845 1.00 0.00 C ATOM 378 CD2 LEU A 26 -17.200 -5.965 -7.985 1.00 0.00 C ATOM 0 H LEU A 26 -13.054 -6.394 -9.305 1.00 0.00 H new ATOM 0 HA LEU A 26 -15.333 -7.840 -8.303 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.995 -5.370 -9.303 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -15.291 -6.174 -10.832 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.434 -5.453 -10.066 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.648 -7.570 -9.636 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -17.418 -7.777 -10.906 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -17.106 -8.375 -9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.271 -5.960 -7.782 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.722 -6.745 -7.392 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -16.776 -4.996 -7.720 1.00 0.00 H new ATOM 390 N GLY A 27 -14.065 -8.586 -11.251 1.00 0.00 N ATOM 391 CA GLY A 27 -14.081 -9.586 -12.309 1.00 0.00 C ATOM 392 C GLY A 27 -13.004 -10.639 -12.088 1.00 0.00 C ATOM 393 O GLY A 27 -13.294 -11.834 -12.019 1.00 0.00 O ATOM 0 H GLY A 27 -13.341 -7.874 -11.350 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.059 -10.065 -12.345 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.927 -9.102 -13.273 1.00 0.00 H new ATOM 397 N GLY A 28 -11.756 -10.191 -11.990 1.00 0.00 N ATOM 398 CA GLY A 28 -10.644 -11.110 -11.790 1.00 0.00 C ATOM 399 C GLY A 28 -10.440 -11.969 -13.030 1.00 0.00 C ATOM 400 O GLY A 28 -9.859 -13.053 -12.963 1.00 0.00 O ATOM 0 H GLY A 28 -11.492 -9.207 -12.045 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.734 -10.550 -11.574 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.840 -11.746 -10.927 1.00 0.00 H new ATOM 404 N VAL A 29 -10.927 -11.475 -14.164 1.00 0.00 N ATOM 405 CA VAL A 29 -10.803 -12.200 -15.422 1.00 0.00 C ATOM 406 C VAL A 29 -10.010 -11.386 -16.437 1.00 0.00 C ATOM 407 O VAL A 29 -9.584 -10.266 -16.159 1.00 0.00 O ATOM 408 CB VAL A 29 -12.191 -12.506 -15.984 1.00 0.00 C ATOM 409 CG1 VAL A 29 -12.915 -13.474 -15.046 1.00 0.00 C ATOM 410 CG2 VAL A 29 -12.993 -11.209 -16.095 1.00 0.00 C ATOM 0 H VAL A 29 -11.409 -10.579 -14.237 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.273 -13.133 -15.231 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.094 -12.958 -16.971 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.905 -13.694 -15.444 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -12.343 -14.398 -14.965 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -13.013 -13.020 -14.060 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.983 -11.427 -16.496 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.092 -10.757 -15.108 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.476 -10.517 -16.760 1.00 0.00 H new ATOM 420 N LYS A 30 -9.814 -11.967 -17.613 1.00 0.00 N ATOM 421 CA LYS A 30 -9.067 -11.303 -18.674 1.00 0.00 C ATOM 422 C LYS A 30 -9.767 -10.019 -19.108 1.00 0.00 C ATOM 423 O LYS A 30 -10.979 -9.999 -19.319 1.00 0.00 O ATOM 424 CB LYS A 30 -8.925 -12.239 -19.877 1.00 0.00 C ATOM 425 CG LYS A 30 -7.483 -12.746 -19.965 1.00 0.00 C ATOM 426 CD LYS A 30 -7.197 -13.681 -18.786 1.00 0.00 C ATOM 427 CE LYS A 30 -7.677 -15.096 -19.119 1.00 0.00 C ATOM 428 NZ LYS A 30 -9.153 -15.179 -18.931 1.00 0.00 N ATOM 0 H LYS A 30 -10.161 -12.895 -17.857 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.079 -11.050 -18.289 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.612 -13.080 -19.779 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.193 -11.713 -20.793 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.328 -13.273 -20.907 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.789 -11.905 -19.953 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.129 -13.691 -18.569 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.701 -13.317 -17.891 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.416 -15.347 -20.147 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.177 -15.821 -18.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.410 -16.138 -18.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.450 -14.491 -18.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.630 -14.966 -19.830 1.00 0.00 H new ATOM 442 N TYR A 31 -8.986 -8.955 -19.243 1.00 0.00 N ATOM 443 CA TYR A 31 -9.524 -7.663 -19.661 1.00 0.00 C ATOM 444 C TYR A 31 -8.504 -6.914 -20.516 1.00 0.00 C ATOM 445 O TYR A 31 -7.298 -7.118 -20.378 1.00 0.00 O ATOM 446 CB TYR A 31 -9.881 -6.823 -18.432 1.00 0.00 C ATOM 447 CG TYR A 31 -8.629 -6.531 -17.640 1.00 0.00 C ATOM 448 CD1 TYR A 31 -8.007 -7.553 -16.914 1.00 0.00 C ATOM 449 CD2 TYR A 31 -8.091 -5.238 -17.632 1.00 0.00 C ATOM 450 CE1 TYR A 31 -6.846 -7.283 -16.179 1.00 0.00 C ATOM 451 CE2 TYR A 31 -6.929 -4.968 -16.899 1.00 0.00 C ATOM 452 CZ TYR A 31 -6.307 -5.991 -16.172 1.00 0.00 C ATOM 453 OH TYR A 31 -5.163 -5.724 -15.448 1.00 0.00 O ATOM 0 H TYR A 31 -7.981 -8.959 -19.070 1.00 0.00 H new ATOM 0 HA TYR A 31 -10.423 -7.836 -20.253 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.354 -5.891 -18.741 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.601 -7.356 -17.811 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.422 -8.550 -16.921 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.572 -4.449 -18.191 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.367 -8.071 -15.618 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.513 -3.972 -16.894 1.00 0.00 H new ATOM 0 HH TYR A 31 -4.923 -4.780 -15.552 1.00 0.00 H new ATOM 463 N ASP A 32 -8.992 -6.049 -21.401 1.00 0.00 N ATOM 464 CA ASP A 32 -8.106 -5.281 -22.272 1.00 0.00 C ATOM 465 C ASP A 32 -8.522 -3.811 -22.305 1.00 0.00 C ATOM 466 O ASP A 32 -9.706 -3.494 -22.423 1.00 0.00 O ATOM 467 CB ASP A 32 -8.140 -5.856 -23.691 1.00 0.00 C ATOM 468 CG ASP A 32 -6.725 -6.187 -24.156 1.00 0.00 C ATOM 469 OD1 ASP A 32 -5.876 -5.314 -24.071 1.00 0.00 O ATOM 470 OD2 ASP A 32 -6.510 -7.307 -24.588 1.00 0.00 O ATOM 0 H ASP A 32 -9.986 -5.863 -21.534 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.093 -5.349 -21.876 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.758 -6.754 -23.713 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.596 -5.138 -24.372 1.00 0.00 H new ATOM 475 N ILE A 33 -7.540 -2.920 -22.198 1.00 0.00 N ATOM 476 CA ILE A 33 -7.817 -1.486 -22.214 1.00 0.00 C ATOM 477 C ILE A 33 -7.120 -0.812 -23.394 1.00 0.00 C ATOM 478 O ILE A 33 -5.897 -0.672 -23.404 1.00 0.00 O ATOM 479 CB ILE A 33 -7.338 -0.851 -20.908 1.00 0.00 C ATOM 480 CG1 ILE A 33 -7.596 -1.816 -19.749 1.00 0.00 C ATOM 481 CG2 ILE A 33 -8.104 0.450 -20.660 1.00 0.00 C ATOM 482 CD1 ILE A 33 -7.091 -1.195 -18.446 1.00 0.00 C ATOM 0 H ILE A 33 -6.554 -3.162 -22.100 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.893 -1.346 -22.318 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.271 -0.639 -20.979 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.662 -2.032 -19.672 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.091 -2.764 -19.932 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.762 0.902 -19.729 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.926 1.140 -21.485 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.171 0.236 -20.589 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.275 -1.882 -17.620 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.021 -1.001 -18.526 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.617 -0.258 -18.262 1.00 0.00 H new ATOM 494 N ASP A 34 -7.904 -0.391 -24.383 1.00 0.00 N ATOM 495 CA ASP A 34 -7.342 0.272 -25.556 1.00 0.00 C ATOM 496 C ASP A 34 -7.821 1.719 -25.634 1.00 0.00 C ATOM 497 O ASP A 34 -8.935 1.992 -26.081 1.00 0.00 O ATOM 498 CB ASP A 34 -7.761 -0.471 -26.826 1.00 0.00 C ATOM 499 CG ASP A 34 -7.156 -1.870 -26.837 1.00 0.00 C ATOM 500 OD1 ASP A 34 -6.811 -2.354 -25.773 1.00 0.00 O ATOM 501 OD2 ASP A 34 -7.048 -2.439 -27.912 1.00 0.00 O ATOM 0 H ASP A 34 -8.919 -0.495 -24.397 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.256 0.263 -25.469 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.848 -0.536 -26.877 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.433 0.083 -27.706 1.00 0.00 H new ATOM 506 N LEU A 35 -6.970 2.640 -25.194 1.00 0.00 N ATOM 507 CA LEU A 35 -7.310 4.060 -25.217 1.00 0.00 C ATOM 508 C LEU A 35 -7.562 4.536 -26.646 1.00 0.00 C ATOM 509 O LEU A 35 -8.557 5.204 -26.923 1.00 0.00 O ATOM 510 CB LEU A 35 -6.175 4.879 -24.596 1.00 0.00 C ATOM 511 CG LEU A 35 -6.678 5.586 -23.336 1.00 0.00 C ATOM 512 CD1 LEU A 35 -7.002 4.548 -22.262 1.00 0.00 C ATOM 513 CD2 LEU A 35 -5.595 6.536 -22.818 1.00 0.00 C ATOM 0 H LEU A 35 -6.045 2.431 -24.819 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.222 4.202 -24.637 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.337 4.228 -24.349 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.808 5.612 -25.314 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.577 6.154 -23.573 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.360 5.053 -21.365 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.773 3.872 -22.631 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.104 3.978 -22.024 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.952 7.040 -21.920 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.695 5.968 -22.581 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.365 7.277 -23.583 1.00 0.00 H new ATOM 525 N PRO A 36 -6.674 4.207 -27.544 1.00 0.00 N ATOM 526 CA PRO A 36 -6.786 4.611 -28.976 1.00 0.00 C ATOM 527 C PRO A 36 -8.138 4.240 -29.580 1.00 0.00 C ATOM 528 O PRO A 36 -8.630 4.916 -30.484 1.00 0.00 O ATOM 529 CB PRO A 36 -5.653 3.847 -29.667 1.00 0.00 C ATOM 530 CG PRO A 36 -4.670 3.521 -28.591 1.00 0.00 C ATOM 531 CD PRO A 36 -5.461 3.415 -27.288 1.00 0.00 C ATOM 0 HA PRO A 36 -6.711 5.692 -29.096 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.026 2.941 -30.144 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.192 4.452 -30.448 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.155 2.585 -28.808 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.906 4.295 -28.518 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.703 2.379 -27.051 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.896 3.811 -26.444 1.00 0.00 H new ATOM 539 N ASN A 37 -8.734 3.166 -29.075 1.00 0.00 N ATOM 540 CA ASN A 37 -10.029 2.718 -29.575 1.00 0.00 C ATOM 541 C ASN A 37 -11.144 3.111 -28.609 1.00 0.00 C ATOM 542 O ASN A 37 -12.326 3.020 -28.939 1.00 0.00 O ATOM 543 CB ASN A 37 -10.025 1.198 -29.756 1.00 0.00 C ATOM 544 CG ASN A 37 -9.699 0.844 -31.204 1.00 0.00 C ATOM 545 OD1 ASN A 37 -10.515 1.071 -32.098 1.00 0.00 O ATOM 546 ND2 ASN A 37 -8.550 0.296 -31.490 1.00 0.00 N ATOM 0 H ASN A 37 -8.345 2.593 -28.326 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.209 3.199 -30.537 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.291 0.746 -29.089 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.998 0.789 -29.483 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.326 0.055 -32.455 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.875 0.109 -30.748 1.00 0.00 H new ATOM 553 N LYS A 38 -10.757 3.547 -27.413 1.00 0.00 N ATOM 554 CA LYS A 38 -11.732 3.949 -26.404 1.00 0.00 C ATOM 555 C LYS A 38 -12.754 2.840 -26.184 1.00 0.00 C ATOM 556 O LYS A 38 -13.940 3.103 -25.992 1.00 0.00 O ATOM 557 CB LYS A 38 -12.457 5.224 -26.842 1.00 0.00 C ATOM 558 CG LYS A 38 -11.490 6.141 -27.596 1.00 0.00 C ATOM 559 CD LYS A 38 -12.280 7.244 -28.303 1.00 0.00 C ATOM 560 CE LYS A 38 -13.180 7.957 -27.292 1.00 0.00 C ATOM 561 NZ LYS A 38 -13.552 9.300 -27.820 1.00 0.00 N ATOM 0 H LYS A 38 -9.783 3.630 -27.121 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.199 4.139 -25.472 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.303 4.970 -27.480 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.858 5.742 -25.971 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.773 6.580 -26.902 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.918 5.565 -28.324 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.596 7.957 -28.763 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.883 6.817 -29.105 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.077 7.366 -27.107 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.663 8.060 -26.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.164 9.786 -27.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.691 9.863 -27.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.061 9.190 -28.720 1.00 0.00 H new ATOM 575 N LYS A 39 -12.282 1.600 -26.213 1.00 0.00 N ATOM 576 CA LYS A 39 -13.160 0.455 -26.013 1.00 0.00 C ATOM 577 C LYS A 39 -12.500 -0.563 -25.092 1.00 0.00 C ATOM 578 O LYS A 39 -11.284 -0.753 -25.132 1.00 0.00 O ATOM 579 CB LYS A 39 -13.487 -0.198 -27.359 1.00 0.00 C ATOM 580 CG LYS A 39 -12.425 -1.247 -27.694 1.00 0.00 C ATOM 581 CD LYS A 39 -12.594 -1.706 -29.146 1.00 0.00 C ATOM 582 CE LYS A 39 -12.935 -3.196 -29.177 1.00 0.00 C ATOM 583 NZ LYS A 39 -14.351 -3.387 -28.757 1.00 0.00 N ATOM 0 H LYS A 39 -11.303 1.363 -26.372 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.084 0.802 -25.551 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.472 -0.663 -27.319 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.524 0.559 -28.142 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.429 -0.830 -27.548 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.516 -2.099 -27.020 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.384 -1.132 -29.630 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -11.677 -1.521 -29.706 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -12.785 -3.594 -30.180 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -12.269 -3.747 -28.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.585 -4.400 -28.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.479 -3.021 -27.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.979 -2.873 -29.408 1.00 0.00 H new ATOM 597 N VAL A 40 -13.305 -1.214 -24.262 1.00 0.00 N ATOM 598 CA VAL A 40 -12.780 -2.208 -23.336 1.00 0.00 C ATOM 599 C VAL A 40 -13.476 -3.550 -23.539 1.00 0.00 C ATOM 600 O VAL A 40 -14.696 -3.655 -23.407 1.00 0.00 O ATOM 601 CB VAL A 40 -12.987 -1.736 -21.895 1.00 0.00 C ATOM 602 CG1 VAL A 40 -12.107 -2.565 -20.958 1.00 0.00 C ATOM 603 CG2 VAL A 40 -12.606 -0.256 -21.780 1.00 0.00 C ATOM 0 H VAL A 40 -14.314 -1.074 -24.211 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.715 -2.332 -23.529 1.00 0.00 H new ATOM 0 HB VAL A 40 -14.034 -1.862 -21.618 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.253 -2.230 -19.931 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.380 -3.617 -21.039 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.060 -2.439 -21.235 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -12.754 0.079 -20.753 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.560 -0.127 -22.057 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -13.233 0.334 -22.448 1.00 0.00 H new ATOM 613 N CYS A 41 -12.691 -4.574 -23.856 1.00 0.00 N ATOM 614 CA CYS A 41 -13.240 -5.907 -24.068 1.00 0.00 C ATOM 615 C CYS A 41 -12.759 -6.852 -22.973 1.00 0.00 C ATOM 616 O CYS A 41 -11.568 -7.137 -22.867 1.00 0.00 O ATOM 617 CB CYS A 41 -12.808 -6.438 -25.435 1.00 0.00 C ATOM 618 SG CYS A 41 -11.307 -5.576 -25.968 1.00 0.00 S ATOM 0 H CYS A 41 -11.680 -4.507 -23.971 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.328 -5.848 -24.034 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -12.624 -7.511 -25.379 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -13.605 -6.289 -26.164 1.00 0.00 H new ATOM 0 HG CYS A 41 -10.936 -6.028 -27.129 1.00 0.00 H new ATOM 624 N ILE A 42 -13.692 -7.322 -22.154 1.00 0.00 N ATOM 625 CA ILE A 42 -13.350 -8.223 -21.060 1.00 0.00 C ATOM 626 C ILE A 42 -14.200 -9.487 -21.103 1.00 0.00 C ATOM 627 O ILE A 42 -15.411 -9.428 -21.316 1.00 0.00 O ATOM 628 CB ILE A 42 -13.553 -7.511 -19.716 1.00 0.00 C ATOM 629 CG1 ILE A 42 -14.036 -8.514 -18.657 1.00 0.00 C ATOM 630 CG2 ILE A 42 -14.597 -6.405 -19.882 1.00 0.00 C ATOM 631 CD1 ILE A 42 -14.066 -7.844 -17.283 1.00 0.00 C ATOM 0 H ILE A 42 -14.684 -7.097 -22.225 1.00 0.00 H new ATOM 0 HA ILE A 42 -12.304 -8.509 -21.170 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.606 -7.079 -19.393 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -15.030 -8.879 -18.915 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -13.374 -9.380 -18.635 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -14.744 -5.897 -18.929 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -14.252 -5.687 -20.626 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -15.541 -6.842 -20.209 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -14.409 -8.560 -16.536 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.064 -7.501 -17.023 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -14.746 -6.992 -17.308 1.00 0.00 H new ATOM 643 N GLU A 43 -13.559 -10.625 -20.866 1.00 0.00 N ATOM 644 CA GLU A 43 -14.269 -11.890 -20.845 1.00 0.00 C ATOM 645 C GLU A 43 -14.366 -12.376 -19.406 1.00 0.00 C ATOM 646 O GLU A 43 -13.351 -12.648 -18.764 1.00 0.00 O ATOM 647 CB GLU A 43 -13.523 -12.923 -21.692 1.00 0.00 C ATOM 648 CG GLU A 43 -12.016 -12.685 -21.583 1.00 0.00 C ATOM 649 CD GLU A 43 -11.550 -11.756 -22.699 1.00 0.00 C ATOM 650 OE1 GLU A 43 -11.887 -10.586 -22.648 1.00 0.00 O ATOM 651 OE2 GLU A 43 -10.862 -12.231 -23.589 1.00 0.00 O ATOM 0 H GLU A 43 -12.557 -10.694 -20.687 1.00 0.00 H new ATOM 0 HA GLU A 43 -15.269 -11.756 -21.258 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.768 -13.930 -21.354 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.838 -12.851 -22.733 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.778 -12.249 -20.613 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.485 -13.635 -21.644 1.00 0.00 H new ATOM 658 N SER A 44 -15.588 -12.463 -18.897 1.00 0.00 N ATOM 659 CA SER A 44 -15.795 -12.896 -17.522 1.00 0.00 C ATOM 660 C SER A 44 -16.807 -14.030 -17.452 1.00 0.00 C ATOM 661 O SER A 44 -17.596 -14.236 -18.374 1.00 0.00 O ATOM 662 CB SER A 44 -16.285 -11.720 -16.676 1.00 0.00 C ATOM 663 OG SER A 44 -16.166 -10.520 -17.428 1.00 0.00 O ATOM 0 H SER A 44 -16.442 -12.242 -19.409 1.00 0.00 H new ATOM 0 HA SER A 44 -14.843 -13.258 -17.133 1.00 0.00 H new ATOM 0 HB2 SER A 44 -17.323 -11.877 -16.381 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.700 -11.648 -15.759 1.00 0.00 H new ATOM 0 HG SER A 44 -16.950 -9.954 -17.268 1.00 0.00 H new ATOM 669 N GLU A 45 -16.773 -14.760 -16.347 1.00 0.00 N ATOM 670 CA GLU A 45 -17.681 -15.873 -16.143 1.00 0.00 C ATOM 671 C GLU A 45 -19.052 -15.372 -15.704 1.00 0.00 C ATOM 672 O GLU A 45 -20.024 -16.128 -15.686 1.00 0.00 O ATOM 673 CB GLU A 45 -17.101 -16.797 -15.077 1.00 0.00 C ATOM 674 CG GLU A 45 -15.682 -17.208 -15.477 1.00 0.00 C ATOM 675 CD GLU A 45 -15.123 -18.208 -14.472 1.00 0.00 C ATOM 676 OE1 GLU A 45 -15.802 -18.479 -13.495 1.00 0.00 O ATOM 677 OE2 GLU A 45 -14.022 -18.688 -14.692 1.00 0.00 O ATOM 0 H GLU A 45 -16.123 -14.599 -15.577 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.799 -16.416 -17.081 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.086 -16.292 -14.111 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.729 -17.681 -14.965 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.690 -17.649 -16.474 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.040 -16.329 -15.522 1.00 0.00 H new ATOM 684 N HIS A 46 -19.123 -14.092 -15.346 1.00 0.00 N ATOM 685 CA HIS A 46 -20.381 -13.501 -14.905 1.00 0.00 C ATOM 686 C HIS A 46 -20.949 -12.582 -15.980 1.00 0.00 C ATOM 687 O HIS A 46 -22.090 -12.741 -16.411 1.00 0.00 O ATOM 688 CB HIS A 46 -20.157 -12.707 -13.616 1.00 0.00 C ATOM 689 CG HIS A 46 -20.623 -13.517 -12.439 1.00 0.00 C ATOM 690 ND1 HIS A 46 -20.739 -14.897 -12.490 1.00 0.00 N ATOM 691 CD2 HIS A 46 -21.008 -13.155 -11.171 1.00 0.00 C ATOM 692 CE1 HIS A 46 -21.176 -15.313 -11.288 1.00 0.00 C ATOM 693 NE2 HIS A 46 -21.357 -14.291 -10.446 1.00 0.00 N ATOM 0 H HIS A 46 -18.331 -13.450 -15.353 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.094 -14.304 -14.719 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -19.101 -12.462 -13.507 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -20.700 -11.763 -13.659 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -21.036 -12.143 -10.794 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -21.358 -16.347 -11.034 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -21.681 -14.334 -9.480 1.00 0.00 H new ATOM 701 N SER A 47 -20.140 -11.624 -16.409 1.00 0.00 N ATOM 702 CA SER A 47 -20.562 -10.681 -17.438 1.00 0.00 C ATOM 703 C SER A 47 -21.794 -9.903 -16.988 1.00 0.00 C ATOM 704 O SER A 47 -22.724 -10.470 -16.414 1.00 0.00 O ATOM 705 CB SER A 47 -20.877 -11.431 -18.732 1.00 0.00 C ATOM 706 OG SER A 47 -19.672 -11.950 -19.278 1.00 0.00 O ATOM 0 H SER A 47 -19.192 -11.478 -16.063 1.00 0.00 H new ATOM 0 HA SER A 47 -19.748 -9.977 -17.611 1.00 0.00 H new ATOM 0 HB2 SER A 47 -21.579 -12.241 -18.535 1.00 0.00 H new ATOM 0 HB3 SER A 47 -21.355 -10.762 -19.447 1.00 0.00 H new ATOM 0 HG SER A 47 -19.317 -12.645 -18.685 1.00 0.00 H new ATOM 712 N MET A 48 -21.793 -8.603 -17.258 1.00 0.00 N ATOM 713 CA MET A 48 -22.915 -7.749 -16.885 1.00 0.00 C ATOM 714 C MET A 48 -22.975 -7.564 -15.372 1.00 0.00 C ATOM 715 O MET A 48 -24.000 -7.825 -14.744 1.00 0.00 O ATOM 716 CB MET A 48 -24.226 -8.363 -17.381 1.00 0.00 C ATOM 717 CG MET A 48 -25.229 -7.250 -17.687 1.00 0.00 C ATOM 718 SD MET A 48 -26.912 -7.899 -17.536 1.00 0.00 S ATOM 719 CE MET A 48 -27.757 -6.307 -17.376 1.00 0.00 C ATOM 0 H MET A 48 -21.031 -8.118 -17.732 1.00 0.00 H new ATOM 0 HA MET A 48 -22.772 -6.773 -17.349 1.00 0.00 H new ATOM 0 HB2 MET A 48 -24.045 -8.959 -18.275 1.00 0.00 H new ATOM 0 HB3 MET A 48 -24.633 -9.036 -16.626 1.00 0.00 H new ATOM 0 HG2 MET A 48 -25.086 -6.417 -16.999 1.00 0.00 H new ATOM 0 HG3 MET A 48 -25.065 -6.864 -18.693 1.00 0.00 H new ATOM 0 HE1 MET A 48 -28.829 -6.473 -17.269 1.00 0.00 H new ATOM 0 HE2 MET A 48 -27.382 -5.783 -16.497 1.00 0.00 H new ATOM 0 HE3 MET A 48 -27.570 -5.705 -18.265 1.00 0.00 H new ATOM 729 N ASP A 49 -21.868 -7.104 -14.802 1.00 0.00 N ATOM 730 CA ASP A 49 -21.793 -6.873 -13.365 1.00 0.00 C ATOM 731 C ASP A 49 -20.418 -6.324 -12.993 1.00 0.00 C ATOM 732 O ASP A 49 -20.298 -5.430 -12.156 1.00 0.00 O ATOM 733 CB ASP A 49 -22.047 -8.179 -12.609 1.00 0.00 C ATOM 734 CG ASP A 49 -22.295 -7.890 -11.132 1.00 0.00 C ATOM 735 OD1 ASP A 49 -21.353 -7.508 -10.458 1.00 0.00 O ATOM 736 OD2 ASP A 49 -23.423 -8.055 -10.697 1.00 0.00 O ATOM 0 H ASP A 49 -21.012 -6.884 -15.311 1.00 0.00 H new ATOM 0 HA ASP A 49 -22.555 -6.145 -13.088 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -22.907 -8.694 -13.036 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -21.190 -8.844 -12.719 1.00 0.00 H new ATOM 741 N THR A 50 -19.383 -6.873 -13.623 1.00 0.00 N ATOM 742 CA THR A 50 -18.014 -6.441 -13.357 1.00 0.00 C ATOM 743 C THR A 50 -17.674 -5.150 -14.104 1.00 0.00 C ATOM 744 O THR A 50 -17.002 -4.271 -13.564 1.00 0.00 O ATOM 745 CB THR A 50 -17.027 -7.543 -13.767 1.00 0.00 C ATOM 746 OG1 THR A 50 -15.803 -6.950 -14.174 1.00 0.00 O ATOM 747 CG2 THR A 50 -17.604 -8.363 -14.925 1.00 0.00 C ATOM 0 H THR A 50 -19.465 -7.615 -14.318 1.00 0.00 H new ATOM 0 HA THR A 50 -17.931 -6.247 -12.288 1.00 0.00 H new ATOM 0 HB THR A 50 -16.854 -8.202 -12.916 1.00 0.00 H new ATOM 0 HG1 THR A 50 -15.170 -7.652 -14.435 1.00 0.00 H new ATOM 0 HG21 THR A 50 -16.896 -9.142 -15.208 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.543 -8.822 -14.614 1.00 0.00 H new ATOM 0 HG23 THR A 50 -17.785 -7.710 -15.779 1.00 0.00 H new ATOM 755 N LEU A 51 -18.116 -5.054 -15.355 1.00 0.00 N ATOM 756 CA LEU A 51 -17.825 -3.881 -16.178 1.00 0.00 C ATOM 757 C LEU A 51 -18.476 -2.605 -15.637 1.00 0.00 C ATOM 758 O LEU A 51 -17.812 -1.583 -15.476 1.00 0.00 O ATOM 759 CB LEU A 51 -18.309 -4.128 -17.607 1.00 0.00 C ATOM 760 CG LEU A 51 -18.147 -5.610 -17.948 1.00 0.00 C ATOM 761 CD1 LEU A 51 -19.498 -6.313 -17.809 1.00 0.00 C ATOM 762 CD2 LEU A 51 -17.643 -5.759 -19.387 1.00 0.00 C ATOM 0 H LEU A 51 -18.674 -5.770 -15.820 1.00 0.00 H new ATOM 0 HA LEU A 51 -16.746 -3.731 -16.157 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -19.354 -3.833 -17.705 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -17.738 -3.518 -18.307 1.00 0.00 H new ATOM 0 HG LEU A 51 -17.426 -6.060 -17.265 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -19.385 -7.370 -18.052 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -19.857 -6.212 -16.785 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -20.216 -5.859 -18.491 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -17.529 -6.817 -19.625 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -18.361 -5.308 -20.072 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -16.680 -5.259 -19.489 1.00 0.00 H new ATOM 774 N LEU A 52 -19.778 -2.659 -15.391 1.00 0.00 N ATOM 775 CA LEU A 52 -20.508 -1.490 -14.908 1.00 0.00 C ATOM 776 C LEU A 52 -19.887 -0.916 -13.635 1.00 0.00 C ATOM 777 O LEU A 52 -19.636 0.286 -13.550 1.00 0.00 O ATOM 778 CB LEU A 52 -21.970 -1.856 -14.640 1.00 0.00 C ATOM 779 CG LEU A 52 -22.067 -3.313 -14.178 1.00 0.00 C ATOM 780 CD1 LEU A 52 -23.301 -3.483 -13.290 1.00 0.00 C ATOM 781 CD2 LEU A 52 -22.183 -4.246 -15.390 1.00 0.00 C ATOM 0 H LEU A 52 -20.350 -3.494 -15.516 1.00 0.00 H new ATOM 0 HA LEU A 52 -20.452 -0.728 -15.685 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -22.385 -1.196 -13.879 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -22.562 -1.712 -15.544 1.00 0.00 H new ATOM 0 HG LEU A 52 -21.168 -3.568 -13.617 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -23.372 -4.519 -12.960 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -23.217 -2.831 -12.421 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -24.195 -3.220 -13.855 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -22.251 -5.279 -15.049 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -23.077 -3.992 -15.960 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -21.304 -4.131 -16.024 1.00 0.00 H new ATOM 793 N ALA A 53 -19.659 -1.767 -12.644 1.00 0.00 N ATOM 794 CA ALA A 53 -19.090 -1.313 -11.379 1.00 0.00 C ATOM 795 C ALA A 53 -17.756 -0.599 -11.590 1.00 0.00 C ATOM 796 O ALA A 53 -17.525 0.476 -11.037 1.00 0.00 O ATOM 797 CB ALA A 53 -18.883 -2.509 -10.448 1.00 0.00 C ATOM 0 H ALA A 53 -19.856 -2.767 -12.688 1.00 0.00 H new ATOM 0 HA ALA A 53 -19.789 -0.606 -10.931 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.458 -2.166 -9.505 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.841 -2.994 -10.260 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.202 -3.220 -10.915 1.00 0.00 H new ATOM 803 N THR A 54 -16.880 -1.208 -12.379 1.00 0.00 N ATOM 804 CA THR A 54 -15.564 -0.630 -12.643 1.00 0.00 C ATOM 805 C THR A 54 -15.650 0.630 -13.505 1.00 0.00 C ATOM 806 O THR A 54 -15.019 1.642 -13.205 1.00 0.00 O ATOM 807 CB THR A 54 -14.683 -1.661 -13.349 1.00 0.00 C ATOM 808 OG1 THR A 54 -14.604 -2.836 -12.556 1.00 0.00 O ATOM 809 CG2 THR A 54 -13.280 -1.086 -13.556 1.00 0.00 C ATOM 0 H THR A 54 -17.053 -2.098 -12.846 1.00 0.00 H new ATOM 0 HA THR A 54 -15.131 -0.350 -11.682 1.00 0.00 H new ATOM 0 HB THR A 54 -15.117 -1.905 -14.319 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.352 -3.430 -12.776 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.655 -1.824 -14.059 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.342 -0.186 -14.167 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.842 -0.839 -12.589 1.00 0.00 H new ATOM 817 N LEU A 55 -16.401 0.552 -14.593 1.00 0.00 N ATOM 818 CA LEU A 55 -16.520 1.686 -15.503 1.00 0.00 C ATOM 819 C LEU A 55 -17.123 2.905 -14.809 1.00 0.00 C ATOM 820 O LEU A 55 -16.629 4.022 -14.961 1.00 0.00 O ATOM 821 CB LEU A 55 -17.385 1.291 -16.702 1.00 0.00 C ATOM 822 CG LEU A 55 -16.498 0.703 -17.803 1.00 0.00 C ATOM 823 CD1 LEU A 55 -15.506 -0.293 -17.196 1.00 0.00 C ATOM 824 CD2 LEU A 55 -17.374 -0.017 -18.832 1.00 0.00 C ATOM 0 H LEU A 55 -16.933 -0.274 -14.867 1.00 0.00 H new ATOM 0 HA LEU A 55 -15.519 1.956 -15.839 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.136 0.562 -16.397 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -17.921 2.162 -17.079 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.947 1.509 -18.288 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.878 -0.708 -17.985 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -14.880 0.217 -16.464 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -16.053 -1.099 -16.706 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -16.744 -0.436 -19.617 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.926 -0.819 -18.342 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -18.077 0.691 -19.271 1.00 0.00 H new ATOM 836 N LYS A 56 -18.194 2.691 -14.053 1.00 0.00 N ATOM 837 CA LYS A 56 -18.853 3.790 -13.351 1.00 0.00 C ATOM 838 C LYS A 56 -18.033 4.263 -12.150 1.00 0.00 C ATOM 839 O LYS A 56 -18.285 5.337 -11.604 1.00 0.00 O ATOM 840 CB LYS A 56 -20.240 3.348 -12.880 1.00 0.00 C ATOM 841 CG LYS A 56 -20.130 2.711 -11.493 1.00 0.00 C ATOM 842 CD LYS A 56 -21.377 1.869 -11.217 1.00 0.00 C ATOM 843 CE LYS A 56 -21.568 1.724 -9.707 1.00 0.00 C ATOM 844 NZ LYS A 56 -22.433 0.543 -9.426 1.00 0.00 N ATOM 0 H LYS A 56 -18.622 1.776 -13.910 1.00 0.00 H new ATOM 0 HA LYS A 56 -18.945 4.623 -14.048 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -20.914 4.204 -12.846 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -20.665 2.635 -13.586 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -19.238 2.087 -11.437 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -20.026 3.485 -10.733 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -22.253 2.340 -11.662 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -21.275 0.886 -11.678 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -20.601 1.605 -9.217 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -22.023 2.627 -9.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -22.563 0.444 -8.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -23.359 0.675 -9.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -21.982 -0.315 -9.802 1.00 0.00 H new ATOM 858 N LYS A 57 -17.064 3.454 -11.732 1.00 0.00 N ATOM 859 CA LYS A 57 -16.236 3.806 -10.581 1.00 0.00 C ATOM 860 C LYS A 57 -15.726 5.243 -10.683 1.00 0.00 C ATOM 861 O LYS A 57 -15.884 6.029 -9.749 1.00 0.00 O ATOM 862 CB LYS A 57 -15.052 2.845 -10.464 1.00 0.00 C ATOM 863 CG LYS A 57 -14.883 2.416 -9.004 1.00 0.00 C ATOM 864 CD LYS A 57 -14.510 3.630 -8.152 1.00 0.00 C ATOM 865 CE LYS A 57 -14.654 3.275 -6.671 1.00 0.00 C ATOM 866 NZ LYS A 57 -13.603 3.985 -5.886 1.00 0.00 N ATOM 0 H LYS A 57 -16.834 2.560 -12.166 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.857 3.725 -9.689 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -15.216 1.971 -11.094 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.142 3.328 -10.820 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.807 1.971 -8.636 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.109 1.653 -8.926 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.486 3.937 -8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.154 4.474 -8.399 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.644 3.558 -6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.561 2.198 -6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.700 3.744 -4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.663 3.694 -6.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.712 5.012 -6.009 1.00 0.00 H new ATOM 880 N THR A 58 -15.110 5.586 -11.812 1.00 0.00 N ATOM 881 CA THR A 58 -14.587 6.935 -11.990 1.00 0.00 C ATOM 882 C THR A 58 -15.683 7.883 -12.470 1.00 0.00 C ATOM 883 O THR A 58 -15.405 9.007 -12.888 1.00 0.00 O ATOM 884 CB THR A 58 -13.435 6.922 -12.999 1.00 0.00 C ATOM 885 OG1 THR A 58 -13.277 5.608 -13.514 1.00 0.00 O ATOM 886 CG2 THR A 58 -12.142 7.360 -12.309 1.00 0.00 C ATOM 0 H THR A 58 -14.963 4.960 -12.604 1.00 0.00 H new ATOM 0 HA THR A 58 -14.220 7.289 -11.027 1.00 0.00 H new ATOM 0 HB THR A 58 -13.658 7.610 -13.815 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.247 5.642 -14.493 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.324 7.350 -13.029 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.264 8.368 -11.913 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.915 6.675 -11.492 1.00 0.00 H new ATOM 894 N GLY A 59 -16.929 7.424 -12.399 1.00 0.00 N ATOM 895 CA GLY A 59 -18.060 8.244 -12.818 1.00 0.00 C ATOM 896 C GLY A 59 -18.116 8.379 -14.335 1.00 0.00 C ATOM 897 O GLY A 59 -18.813 9.245 -14.864 1.00 0.00 O ATOM 0 H GLY A 59 -17.180 6.496 -12.058 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -18.987 7.800 -12.456 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -17.982 9.233 -12.366 1.00 0.00 H new ATOM 901 N ALA A 60 -17.382 7.520 -15.031 1.00 0.00 N ATOM 902 CA ALA A 60 -17.364 7.561 -16.486 1.00 0.00 C ATOM 903 C ALA A 60 -18.646 6.959 -17.049 1.00 0.00 C ATOM 904 O ALA A 60 -19.204 6.020 -16.481 1.00 0.00 O ATOM 905 CB ALA A 60 -16.155 6.788 -17.018 1.00 0.00 C ATOM 0 H ALA A 60 -16.798 6.794 -14.616 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.293 8.602 -16.803 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -16.150 6.825 -18.107 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -15.239 7.238 -16.636 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -16.214 5.750 -16.690 1.00 0.00 H new ATOM 911 N THR A 61 -19.109 7.506 -18.167 1.00 0.00 N ATOM 912 CA THR A 61 -20.328 7.014 -18.797 1.00 0.00 C ATOM 913 C THR A 61 -20.183 5.540 -19.155 1.00 0.00 C ATOM 914 O THR A 61 -19.136 5.109 -19.637 1.00 0.00 O ATOM 915 CB THR A 61 -20.622 7.823 -20.062 1.00 0.00 C ATOM 916 OG1 THR A 61 -20.068 9.125 -19.930 1.00 0.00 O ATOM 917 CG2 THR A 61 -22.134 7.928 -20.263 1.00 0.00 C ATOM 0 H THR A 61 -18.663 8.284 -18.653 1.00 0.00 H new ATOM 0 HA THR A 61 -21.153 7.127 -18.094 1.00 0.00 H new ATOM 0 HB THR A 61 -20.177 7.325 -20.923 1.00 0.00 H new ATOM 0 HG1 THR A 61 -20.254 9.643 -20.740 1.00 0.00 H new ATOM 0 HG21 THR A 61 -22.342 8.505 -21.164 1.00 0.00 H new ATOM 0 HG22 THR A 61 -22.558 6.929 -20.365 1.00 0.00 H new ATOM 0 HG23 THR A 61 -22.582 8.426 -19.403 1.00 0.00 H new ATOM 925 N VAL A 62 -21.239 4.768 -18.917 1.00 0.00 N ATOM 926 CA VAL A 62 -21.206 3.342 -19.223 1.00 0.00 C ATOM 927 C VAL A 62 -22.425 2.939 -20.046 1.00 0.00 C ATOM 928 O VAL A 62 -23.561 3.255 -19.690 1.00 0.00 O ATOM 929 CB VAL A 62 -21.177 2.532 -17.925 1.00 0.00 C ATOM 930 CG1 VAL A 62 -22.573 2.530 -17.296 1.00 0.00 C ATOM 931 CG2 VAL A 62 -20.752 1.093 -18.229 1.00 0.00 C ATOM 0 H VAL A 62 -22.117 5.100 -18.518 1.00 0.00 H new ATOM 0 HA VAL A 62 -20.307 3.136 -19.803 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.465 2.981 -17.232 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -22.555 1.953 -16.371 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -22.876 3.554 -17.079 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -23.284 2.081 -17.989 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -20.732 0.517 -17.304 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -21.463 0.642 -18.922 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -19.759 1.094 -18.678 1.00 0.00 H new ATOM 941 N SER A 63 -22.181 2.237 -21.148 1.00 0.00 N ATOM 942 CA SER A 63 -23.263 1.789 -22.016 1.00 0.00 C ATOM 943 C SER A 63 -23.013 0.360 -22.488 1.00 0.00 C ATOM 944 O SER A 63 -21.999 0.079 -23.125 1.00 0.00 O ATOM 945 CB SER A 63 -23.378 2.715 -23.228 1.00 0.00 C ATOM 946 OG SER A 63 -23.606 4.045 -22.780 1.00 0.00 O ATOM 0 H SER A 63 -21.248 1.967 -21.460 1.00 0.00 H new ATOM 0 HA SER A 63 -24.194 1.816 -21.449 1.00 0.00 H new ATOM 0 HB2 SER A 63 -22.466 2.670 -23.823 1.00 0.00 H new ATOM 0 HB3 SER A 63 -24.195 2.390 -23.872 1.00 0.00 H new ATOM 0 HG SER A 63 -23.679 4.643 -23.553 1.00 0.00 H new ATOM 952 N TYR A 64 -23.942 -0.538 -22.176 1.00 0.00 N ATOM 953 CA TYR A 64 -23.800 -1.931 -22.581 1.00 0.00 C ATOM 954 C TYR A 64 -24.365 -2.139 -23.985 1.00 0.00 C ATOM 955 O TYR A 64 -25.556 -1.940 -24.220 1.00 0.00 O ATOM 956 CB TYR A 64 -24.517 -2.846 -21.579 1.00 0.00 C ATOM 957 CG TYR A 64 -25.879 -3.235 -22.104 1.00 0.00 C ATOM 958 CD1 TYR A 64 -26.002 -4.275 -23.033 1.00 0.00 C ATOM 959 CD2 TYR A 64 -27.019 -2.556 -21.659 1.00 0.00 C ATOM 960 CE1 TYR A 64 -27.266 -4.637 -23.515 1.00 0.00 C ATOM 961 CE2 TYR A 64 -28.282 -2.918 -22.141 1.00 0.00 C ATOM 962 CZ TYR A 64 -28.405 -3.958 -23.069 1.00 0.00 C ATOM 963 OH TYR A 64 -29.652 -4.313 -23.543 1.00 0.00 O ATOM 0 H TYR A 64 -24.791 -0.330 -21.651 1.00 0.00 H new ATOM 0 HA TYR A 64 -22.740 -2.184 -22.594 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -23.920 -3.740 -21.401 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -24.621 -2.336 -20.621 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -25.122 -4.798 -23.378 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -26.924 -1.753 -20.944 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -27.362 -5.440 -24.231 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -29.162 -2.395 -21.797 1.00 0.00 H new ATOM 0 HH TYR A 64 -30.333 -3.742 -23.130 1.00 0.00 H new ATOM 973 N LEU A 65 -23.501 -2.539 -24.913 1.00 0.00 N ATOM 974 CA LEU A 65 -23.926 -2.769 -26.289 1.00 0.00 C ATOM 975 C LEU A 65 -24.524 -4.164 -26.440 1.00 0.00 C ATOM 976 O LEU A 65 -25.235 -4.443 -27.405 1.00 0.00 O ATOM 977 CB LEU A 65 -22.734 -2.617 -27.235 1.00 0.00 C ATOM 978 CG LEU A 65 -21.934 -1.372 -26.853 1.00 0.00 C ATOM 979 CD1 LEU A 65 -20.611 -1.360 -27.620 1.00 0.00 C ATOM 980 CD2 LEU A 65 -22.741 -0.122 -27.208 1.00 0.00 C ATOM 0 H LEU A 65 -22.510 -2.709 -24.739 1.00 0.00 H new ATOM 0 HA LEU A 65 -24.687 -2.031 -26.542 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.099 -3.501 -27.181 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -23.082 -2.537 -28.265 1.00 0.00 H new ATOM 0 HG LEU A 65 -21.732 -1.383 -25.782 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -20.041 -0.472 -27.348 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.037 -2.252 -27.369 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.812 -1.348 -28.691 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -22.172 0.767 -26.936 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -22.942 -0.111 -28.279 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -23.684 -0.131 -26.662 1.00 0.00 H new ATOM 992 N GLY A 66 -24.227 -5.036 -25.483 1.00 0.00 N ATOM 993 CA GLY A 66 -24.739 -6.399 -25.523 1.00 0.00 C ATOM 994 C GLY A 66 -23.609 -7.409 -25.364 1.00 0.00 C ATOM 995 O GLY A 66 -22.451 -7.108 -25.654 1.00 0.00 O ATOM 0 H GLY A 66 -23.639 -4.825 -24.677 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -25.472 -6.540 -24.729 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -25.255 -6.570 -26.468 1.00 0.00 H new