USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 367 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 Single : A 21 LYS NZ :NH3+ -136:sc= -0.203 (180deg=-1.07) USER MOD Single : A 25 THR OG1 : rot 68:sc= 0.44 USER MOD Single : A 27 HIS : no HD1:sc=-0.00254 X(o=-0.0025,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= -0.0938 (180deg=-0.489) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 48 ASN : amide:sc= -12.6! C(o=-13!,f=-12!) USER MOD Single : A 49 ASN : amide:sc= -1.05 K(o=-1,f=-1.8) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.125) USER MOD Single : A 56 THR OG1 : rot 57:sc= 0.531 USER MOD Single : A 57 SER OG : rot -43:sc= 0.652 USER MOD Single : A 58 THR OG1 : rot 4:sc= 0.123 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0871 X(o=-0.087,f=-0.11) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -0.288 19.891 -6.064 1.00 0.00 N ATOM 2 CA LYS A 21 -0.771 18.485 -5.906 1.00 0.00 C ATOM 3 C LYS A 21 -0.954 17.918 -7.302 1.00 0.00 C ATOM 4 O LYS A 21 -0.753 16.754 -7.571 1.00 0.00 O ATOM 5 CB LYS A 21 -2.114 18.477 -5.131 1.00 0.00 C ATOM 6 CG LYS A 21 -1.937 17.885 -3.717 1.00 0.00 C ATOM 7 CD LYS A 21 -2.079 16.360 -3.764 1.00 0.00 C ATOM 8 CE LYS A 21 -1.585 15.760 -2.447 1.00 0.00 C ATOM 9 NZ LYS A 21 -0.142 16.082 -2.264 1.00 0.00 N ATOM 0 HA LYS A 21 -0.059 17.882 -5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.501 19.493 -5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.852 17.895 -5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.958 18.155 -3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.681 18.307 -3.042 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.121 16.086 -3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.505 15.956 -4.598 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.165 16.157 -1.614 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.730 14.680 -2.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.363 15.235 -1.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.262 16.394 -3.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.042 16.842 -1.561 1.00 0.00 H new ATOM 23 N LEU A 22 -1.320 18.779 -8.171 1.00 0.00 N ATOM 24 CA LEU A 22 -1.539 18.439 -9.590 1.00 0.00 C ATOM 25 C LEU A 22 -0.428 17.517 -10.124 1.00 0.00 C ATOM 26 O LEU A 22 -0.681 16.404 -10.539 1.00 0.00 O ATOM 27 CB LEU A 22 -1.489 19.784 -10.303 1.00 0.00 C ATOM 28 CG LEU A 22 -1.239 19.641 -11.806 1.00 0.00 C ATOM 29 CD1 LEU A 22 -2.287 18.712 -12.428 1.00 0.00 C ATOM 30 CD2 LEU A 22 -1.340 21.019 -12.463 1.00 0.00 C ATOM 0 H LEU A 22 -1.488 19.761 -7.951 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.477 17.905 -9.742 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.429 20.312 -10.143 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.701 20.396 -9.863 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.247 19.219 -11.966 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.100 18.617 -13.498 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.226 17.729 -11.960 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.282 19.128 -12.269 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.163 20.925 -13.534 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.335 21.430 -12.294 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.594 21.685 -12.029 1.00 0.00 H new ATOM 42 N LEU A 23 0.795 17.984 -10.140 1.00 0.00 N ATOM 43 CA LEU A 23 1.912 17.155 -10.670 1.00 0.00 C ATOM 44 C LEU A 23 2.439 16.287 -9.558 1.00 0.00 C ATOM 45 O LEU A 23 2.870 15.174 -9.766 1.00 0.00 O ATOM 46 CB LEU A 23 3.006 18.081 -11.200 1.00 0.00 C ATOM 47 CG LEU A 23 4.192 17.275 -11.751 1.00 0.00 C ATOM 48 CD1 LEU A 23 3.756 16.456 -12.978 1.00 0.00 C ATOM 49 CD2 LEU A 23 5.305 18.246 -12.156 1.00 0.00 C ATOM 0 H LEU A 23 1.066 18.909 -9.806 1.00 0.00 H new ATOM 0 HA LEU A 23 1.569 16.517 -11.484 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.599 18.718 -11.985 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.349 18.739 -10.401 1.00 0.00 H new ATOM 0 HG LEU A 23 4.551 16.591 -10.982 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.606 15.890 -13.358 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.960 15.768 -12.692 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.392 17.129 -13.754 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.153 17.684 -12.549 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.934 18.926 -12.923 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.622 18.820 -11.285 1.00 0.00 H new ATOM 61 N ILE A 24 2.382 16.776 -8.367 1.00 0.00 N ATOM 62 CA ILE A 24 2.859 15.962 -7.238 1.00 0.00 C ATOM 63 C ILE A 24 1.952 14.736 -7.203 1.00 0.00 C ATOM 64 O ILE A 24 2.238 13.739 -6.572 1.00 0.00 O ATOM 65 CB ILE A 24 2.770 16.762 -5.913 1.00 0.00 C ATOM 66 CG1 ILE A 24 2.954 18.313 -6.172 1.00 0.00 C ATOM 67 CG2 ILE A 24 3.829 16.219 -4.934 1.00 0.00 C ATOM 68 CD1 ILE A 24 4.081 18.912 -5.312 1.00 0.00 C ATOM 0 H ILE A 24 2.027 17.701 -8.126 1.00 0.00 H new ATOM 0 HA ILE A 24 3.905 15.678 -7.356 1.00 0.00 H new ATOM 0 HB ILE A 24 1.781 16.634 -5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.174 18.481 -7.226 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.019 18.830 -5.956 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.777 16.774 -3.997 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.639 15.163 -4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.821 16.336 -5.370 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.172 19.978 -5.522 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.849 18.769 -4.257 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.022 18.414 -5.547 1.00 0.00 H new ATOM 80 N THR A 25 0.846 14.823 -7.908 1.00 0.00 N ATOM 81 CA THR A 25 -0.118 13.687 -7.967 1.00 0.00 C ATOM 82 C THR A 25 0.066 12.911 -9.278 1.00 0.00 C ATOM 83 O THR A 25 0.142 11.704 -9.275 1.00 0.00 O ATOM 84 CB THR A 25 -1.547 14.230 -7.908 1.00 0.00 C ATOM 85 OG1 THR A 25 -1.766 14.849 -6.648 1.00 0.00 O ATOM 86 CG2 THR A 25 -2.542 13.082 -8.090 1.00 0.00 C ATOM 0 H THR A 25 0.572 15.643 -8.449 1.00 0.00 H new ATOM 0 HA THR A 25 0.064 13.022 -7.123 1.00 0.00 H new ATOM 0 HB THR A 25 -1.689 14.961 -8.704 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.224 15.663 -6.585 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.559 13.472 -8.047 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.376 12.606 -9.057 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.401 12.349 -7.296 1.00 0.00 H new ATOM 94 N ILE A 26 0.127 13.590 -10.400 1.00 0.00 N ATOM 95 CA ILE A 26 0.290 12.861 -11.698 1.00 0.00 C ATOM 96 C ILE A 26 1.600 12.111 -11.702 1.00 0.00 C ATOM 97 O ILE A 26 1.680 10.930 -11.971 1.00 0.00 O ATOM 98 CB ILE A 26 0.309 13.871 -12.851 1.00 0.00 C ATOM 99 CG1 ILE A 26 -1.106 14.463 -13.039 1.00 0.00 C ATOM 100 CG2 ILE A 26 0.747 13.177 -14.154 1.00 0.00 C ATOM 101 CD1 ILE A 26 -1.002 15.861 -13.653 1.00 0.00 C ATOM 0 H ILE A 26 0.072 14.606 -10.473 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.539 12.164 -11.818 1.00 0.00 H new ATOM 0 HB ILE A 26 1.015 14.667 -12.615 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.699 13.815 -13.684 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.620 14.514 -12.079 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.757 13.903 -14.967 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.746 12.761 -14.026 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.048 12.375 -14.392 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.001 16.276 -13.784 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.425 16.507 -12.991 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.505 15.797 -14.621 1.00 0.00 H new ATOM 113 N HIS A 27 2.619 12.825 -11.430 1.00 0.00 N ATOM 114 CA HIS A 27 3.976 12.246 -11.425 1.00 0.00 C ATOM 115 C HIS A 27 4.003 10.985 -10.548 1.00 0.00 C ATOM 116 O HIS A 27 4.937 10.210 -10.592 1.00 0.00 O ATOM 117 CB HIS A 27 4.934 13.325 -10.909 1.00 0.00 C ATOM 118 CG HIS A 27 6.260 13.215 -11.602 1.00 0.00 C ATOM 119 ND1 HIS A 27 7.415 12.791 -10.965 1.00 0.00 N ATOM 120 CD2 HIS A 27 6.613 13.478 -12.896 1.00 0.00 C ATOM 121 CE1 HIS A 27 8.406 12.811 -11.877 1.00 0.00 C ATOM 122 NE2 HIS A 27 7.970 13.222 -13.073 1.00 0.00 N ATOM 0 H HIS A 27 2.579 13.818 -11.202 1.00 0.00 H new ATOM 0 HA HIS A 27 4.283 11.941 -12.426 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.507 14.313 -11.080 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.068 13.218 -9.833 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.941 13.831 -13.665 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.428 12.530 -11.668 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.514 13.325 -13.930 1.00 0.00 H new ATOM 130 N ASP A 28 2.969 10.769 -9.769 1.00 0.00 N ATOM 131 CA ASP A 28 2.896 9.549 -8.897 1.00 0.00 C ATOM 132 C ASP A 28 1.650 8.750 -9.284 1.00 0.00 C ATOM 133 O ASP A 28 1.592 7.546 -9.131 1.00 0.00 O ATOM 134 CB ASP A 28 2.789 9.976 -7.432 1.00 0.00 C ATOM 135 CG ASP A 28 3.943 10.920 -7.089 1.00 0.00 C ATOM 136 OD1 ASP A 28 4.293 11.727 -7.935 1.00 0.00 O ATOM 137 OD2 ASP A 28 4.455 10.821 -5.986 1.00 0.00 O ATOM 0 H ASP A 28 2.164 11.391 -9.699 1.00 0.00 H new ATOM 0 HA ASP A 28 3.790 8.940 -9.030 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.835 10.472 -7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.817 9.100 -6.784 1.00 0.00 H new ATOM 142 N ARG A 29 0.655 9.425 -9.786 1.00 0.00 N ATOM 143 CA ARG A 29 -0.605 8.746 -10.200 1.00 0.00 C ATOM 144 C ARG A 29 -0.278 7.549 -11.086 1.00 0.00 C ATOM 145 O ARG A 29 -0.989 6.566 -11.105 1.00 0.00 O ATOM 146 CB ARG A 29 -1.440 9.734 -11.014 1.00 0.00 C ATOM 147 CG ARG A 29 -2.819 9.142 -11.350 1.00 0.00 C ATOM 148 CD ARG A 29 -3.770 9.184 -10.123 1.00 0.00 C ATOM 149 NE ARG A 29 -5.062 9.865 -10.481 1.00 0.00 N ATOM 150 CZ ARG A 29 -5.088 11.058 -11.020 1.00 0.00 C ATOM 151 NH1 ARG A 29 -3.985 11.730 -11.196 1.00 0.00 N ATOM 152 NH2 ARG A 29 -6.232 11.588 -11.363 1.00 0.00 N ATOM 0 H ARG A 29 0.661 10.435 -9.929 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.148 8.411 -9.316 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.564 10.660 -10.452 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.915 9.988 -11.935 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.264 9.698 -12.176 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.702 8.112 -11.686 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.970 8.170 -9.776 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.289 9.713 -9.301 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.943 9.384 -10.299 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.092 11.327 -10.913 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.015 12.659 -11.617 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.099 11.073 -11.210 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.258 12.517 -11.783 1.00 0.00 H new ATOM 166 N LYS A 30 0.776 7.641 -11.843 1.00 0.00 N ATOM 167 CA LYS A 30 1.135 6.526 -12.760 1.00 0.00 C ATOM 168 C LYS A 30 1.032 5.187 -12.025 1.00 0.00 C ATOM 169 O LYS A 30 0.387 4.265 -12.486 1.00 0.00 O ATOM 170 CB LYS A 30 2.567 6.727 -13.276 1.00 0.00 C ATOM 171 CG LYS A 30 2.801 5.869 -14.536 1.00 0.00 C ATOM 172 CD LYS A 30 2.335 6.624 -15.798 1.00 0.00 C ATOM 173 CE LYS A 30 3.454 7.540 -16.311 1.00 0.00 C ATOM 174 NZ LYS A 30 3.018 8.192 -17.579 1.00 0.00 N ATOM 0 H LYS A 30 1.407 8.442 -11.867 1.00 0.00 H new ATOM 0 HA LYS A 30 0.444 6.520 -13.603 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.735 7.779 -13.507 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.283 6.452 -12.501 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.859 5.621 -14.623 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.259 4.927 -14.448 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.054 5.912 -16.574 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.447 7.214 -15.570 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.691 8.297 -15.563 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.363 6.963 -16.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.775 8.813 -17.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.812 7.463 -18.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.162 8.755 -17.403 1.00 0.00 H new ATOM 188 N GLU A 31 1.652 5.068 -10.884 1.00 0.00 N ATOM 189 CA GLU A 31 1.570 3.786 -10.133 1.00 0.00 C ATOM 190 C GLU A 31 0.105 3.497 -9.803 1.00 0.00 C ATOM 191 O GLU A 31 -0.395 2.415 -10.035 1.00 0.00 O ATOM 192 CB GLU A 31 2.377 3.894 -8.837 1.00 0.00 C ATOM 193 CG GLU A 31 3.677 4.656 -9.103 1.00 0.00 C ATOM 194 CD GLU A 31 4.628 4.473 -7.919 1.00 0.00 C ATOM 195 OE1 GLU A 31 4.141 4.224 -6.828 1.00 0.00 O ATOM 196 OE2 GLU A 31 5.825 4.586 -8.123 1.00 0.00 O ATOM 0 H GLU A 31 2.209 5.799 -10.442 1.00 0.00 H new ATOM 0 HA GLU A 31 1.978 2.978 -10.740 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.792 4.408 -8.074 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.599 2.899 -8.451 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.144 4.291 -10.018 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.466 5.715 -9.253 1.00 0.00 H new ATOM 203 N PHE A 32 -0.591 4.467 -9.272 1.00 0.00 N ATOM 204 CA PHE A 32 -2.015 4.265 -8.939 1.00 0.00 C ATOM 205 C PHE A 32 -2.768 3.989 -10.234 1.00 0.00 C ATOM 206 O PHE A 32 -3.752 3.276 -10.267 1.00 0.00 O ATOM 207 CB PHE A 32 -2.532 5.547 -8.268 1.00 0.00 C ATOM 208 CG PHE A 32 -2.456 5.423 -6.757 1.00 0.00 C ATOM 209 CD1 PHE A 32 -3.179 4.417 -6.102 1.00 0.00 C ATOM 210 CD2 PHE A 32 -1.665 6.311 -6.013 1.00 0.00 C ATOM 211 CE1 PHE A 32 -3.111 4.300 -4.708 1.00 0.00 C ATOM 212 CE2 PHE A 32 -1.599 6.192 -4.620 1.00 0.00 C ATOM 213 CZ PHE A 32 -2.322 5.187 -3.968 1.00 0.00 C ATOM 0 H PHE A 32 -0.224 5.394 -9.056 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.157 3.425 -8.259 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.942 6.401 -8.599 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.562 5.734 -8.572 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.789 3.732 -6.672 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.107 7.087 -6.515 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.668 3.524 -4.204 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.990 6.876 -4.048 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.271 5.096 -2.893 1.00 0.00 H new ATOM 223 N ALA A 33 -2.287 4.542 -11.297 1.00 0.00 N ATOM 224 CA ALA A 33 -2.929 4.323 -12.618 1.00 0.00 C ATOM 225 C ALA A 33 -2.580 2.915 -13.097 1.00 0.00 C ATOM 226 O ALA A 33 -3.306 2.309 -13.852 1.00 0.00 O ATOM 227 CB ALA A 33 -2.405 5.351 -13.623 1.00 0.00 C ATOM 0 H ALA A 33 -1.465 5.146 -11.313 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.010 4.433 -12.531 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.878 5.187 -14.591 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.638 6.356 -13.271 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.325 5.243 -13.724 1.00 0.00 H new ATOM 233 N LYS A 34 -1.465 2.394 -12.661 1.00 0.00 N ATOM 234 CA LYS A 34 -1.061 1.017 -13.076 1.00 0.00 C ATOM 235 C LYS A 34 -1.669 -0.009 -12.110 1.00 0.00 C ATOM 236 O LYS A 34 -2.387 -0.906 -12.507 1.00 0.00 O ATOM 237 CB LYS A 34 0.470 0.913 -13.056 1.00 0.00 C ATOM 238 CG LYS A 34 0.913 -0.544 -13.259 1.00 0.00 C ATOM 239 CD LYS A 34 0.216 -1.138 -14.489 1.00 0.00 C ATOM 240 CE LYS A 34 0.981 -2.375 -14.970 1.00 0.00 C ATOM 241 NZ LYS A 34 2.277 -1.953 -15.575 1.00 0.00 N ATOM 0 H LYS A 34 -0.813 2.864 -12.033 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.423 0.814 -14.084 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.893 1.541 -13.840 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.853 1.287 -12.107 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.995 -0.589 -13.386 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.671 -1.133 -12.374 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.811 -1.407 -14.242 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.168 -0.396 -15.286 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.160 -3.052 -14.135 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.387 -2.922 -15.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.585 -2.665 -16.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.156 -1.037 -16.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.995 -1.862 -14.829 1.00 0.00 H new ATOM 255 N PHE A 35 -1.365 0.113 -10.843 1.00 0.00 N ATOM 256 CA PHE A 35 -1.895 -0.852 -9.832 1.00 0.00 C ATOM 257 C PHE A 35 -3.407 -0.997 -9.965 1.00 0.00 C ATOM 258 O PHE A 35 -4.009 -1.878 -9.388 1.00 0.00 O ATOM 259 CB PHE A 35 -1.527 -0.356 -8.428 1.00 0.00 C ATOM 260 CG PHE A 35 -2.239 -1.179 -7.373 1.00 0.00 C ATOM 261 CD1 PHE A 35 -2.038 -2.563 -7.311 1.00 0.00 C ATOM 262 CD2 PHE A 35 -3.096 -0.556 -6.455 1.00 0.00 C ATOM 263 CE1 PHE A 35 -2.692 -3.323 -6.334 1.00 0.00 C ATOM 264 CE2 PHE A 35 -3.749 -1.316 -5.477 1.00 0.00 C ATOM 265 CZ PHE A 35 -3.547 -2.700 -5.417 1.00 0.00 C ATOM 0 H PHE A 35 -0.767 0.846 -10.462 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.450 -1.832 -10.002 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.449 -0.422 -8.283 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.799 0.694 -8.324 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.378 -3.045 -8.017 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.253 0.512 -6.502 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.537 -4.391 -6.288 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.408 -0.835 -4.769 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.051 -3.287 -4.663 1.00 0.00 H new ATOM 275 N GLU A 36 -4.025 -0.152 -10.717 1.00 0.00 N ATOM 276 CA GLU A 36 -5.495 -0.257 -10.886 1.00 0.00 C ATOM 277 C GLU A 36 -5.835 -1.531 -11.659 1.00 0.00 C ATOM 278 O GLU A 36 -6.748 -2.256 -11.333 1.00 0.00 O ATOM 279 CB GLU A 36 -5.996 0.989 -11.615 1.00 0.00 C ATOM 280 CG GLU A 36 -5.666 0.864 -13.084 1.00 0.00 C ATOM 281 CD GLU A 36 -5.905 2.201 -13.788 1.00 0.00 C ATOM 282 OE1 GLU A 36 -6.224 3.159 -13.105 1.00 0.00 O ATOM 283 OE2 GLU A 36 -5.765 2.243 -15.000 1.00 0.00 O ATOM 0 H GLU A 36 -3.580 0.612 -11.226 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.987 -0.316 -9.915 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.072 1.098 -11.479 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.530 1.882 -11.199 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.627 0.559 -13.207 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.282 0.088 -13.539 1.00 0.00 H new ATOM 290 N GLU A 37 -5.099 -1.786 -12.685 1.00 0.00 N ATOM 291 CA GLU A 37 -5.346 -2.992 -13.527 1.00 0.00 C ATOM 292 C GLU A 37 -5.463 -4.246 -12.657 1.00 0.00 C ATOM 293 O GLU A 37 -6.013 -5.246 -13.072 1.00 0.00 O ATOM 294 CB GLU A 37 -4.188 -3.164 -14.512 1.00 0.00 C ATOM 295 CG GLU A 37 -4.493 -4.319 -15.466 1.00 0.00 C ATOM 296 CD GLU A 37 -3.394 -4.410 -16.526 1.00 0.00 C ATOM 297 OE1 GLU A 37 -2.255 -4.127 -16.195 1.00 0.00 O ATOM 298 OE2 GLU A 37 -3.711 -4.761 -17.651 1.00 0.00 O ATOM 0 H GLU A 37 -4.319 -1.205 -12.991 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.282 -2.856 -14.068 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.037 -2.243 -15.076 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.263 -3.361 -13.970 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.556 -5.255 -14.912 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.461 -4.165 -15.943 1.00 0.00 H new ATOM 305 N GLU A 38 -4.938 -4.218 -11.463 1.00 0.00 N ATOM 306 CA GLU A 38 -5.005 -5.409 -10.597 1.00 0.00 C ATOM 307 C GLU A 38 -6.400 -5.534 -9.967 1.00 0.00 C ATOM 308 O GLU A 38 -7.096 -6.511 -10.161 1.00 0.00 O ATOM 309 CB GLU A 38 -3.957 -5.220 -9.500 1.00 0.00 C ATOM 310 CG GLU A 38 -2.562 -5.536 -10.050 1.00 0.00 C ATOM 311 CD GLU A 38 -1.541 -5.489 -8.913 1.00 0.00 C ATOM 312 OE1 GLU A 38 -1.839 -6.016 -7.853 1.00 0.00 O ATOM 313 OE2 GLU A 38 -0.478 -4.927 -9.119 1.00 0.00 O ATOM 0 H GLU A 38 -4.464 -3.412 -11.055 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.816 -6.315 -11.173 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.987 -4.196 -9.129 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.181 -5.872 -8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.558 -6.522 -10.516 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.293 -4.817 -10.824 1.00 0.00 H new ATOM 320 N ARG A 39 -6.797 -4.551 -9.202 1.00 0.00 N ATOM 321 CA ARG A 39 -8.133 -4.573 -8.522 1.00 0.00 C ATOM 322 C ARG A 39 -9.051 -3.500 -9.084 1.00 0.00 C ATOM 323 O ARG A 39 -10.031 -3.202 -8.463 1.00 0.00 O ATOM 324 CB ARG A 39 -7.973 -4.395 -7.008 1.00 0.00 C ATOM 325 CG ARG A 39 -6.788 -3.464 -6.711 1.00 0.00 C ATOM 326 CD ARG A 39 -7.101 -2.633 -5.469 1.00 0.00 C ATOM 327 NE ARG A 39 -7.942 -3.432 -4.513 1.00 0.00 N ATOM 328 CZ ARG A 39 -8.027 -3.050 -3.266 1.00 0.00 C ATOM 329 NH1 ARG A 39 -7.368 -1.999 -2.862 1.00 0.00 N ATOM 330 NH2 ARG A 39 -8.769 -3.714 -2.423 1.00 0.00 N ATOM 0 H ARG A 39 -6.242 -3.716 -9.014 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.588 -5.545 -8.713 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.887 -3.980 -6.584 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.813 -5.364 -6.535 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.882 -4.049 -6.553 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.601 -2.810 -7.563 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.174 -2.328 -4.983 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.627 -1.722 -5.754 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.440 -4.262 -4.834 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.788 -1.477 -3.519 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.433 -1.699 -1.889 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.286 -4.536 -2.736 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.832 -3.412 -1.451 1.00 0.00 H new ATOM 344 N ALA A 40 -8.731 -2.901 -10.211 1.00 0.00 N ATOM 345 CA ALA A 40 -9.586 -1.803 -10.861 1.00 0.00 C ATOM 346 C ALA A 40 -11.087 -1.876 -10.501 1.00 0.00 C ATOM 347 O ALA A 40 -11.933 -1.304 -11.154 1.00 0.00 O ATOM 348 CB ALA A 40 -9.424 -1.866 -12.386 1.00 0.00 C ATOM 0 H ALA A 40 -7.886 -3.124 -10.738 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.221 -0.856 -10.463 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.030 -1.087 -12.849 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.377 -1.714 -12.647 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.750 -2.842 -12.746 1.00 0.00 H new ATOM 354 N ARG A 41 -11.388 -2.579 -9.494 1.00 0.00 N ATOM 355 CA ARG A 41 -12.737 -2.765 -8.995 1.00 0.00 C ATOM 356 C ARG A 41 -12.954 -1.782 -7.845 1.00 0.00 C ATOM 357 O ARG A 41 -14.060 -1.494 -7.457 1.00 0.00 O ATOM 358 CB ARG A 41 -12.737 -4.179 -8.473 1.00 0.00 C ATOM 359 CG ARG A 41 -12.431 -5.179 -9.641 1.00 0.00 C ATOM 360 CD ARG A 41 -11.326 -6.207 -9.266 1.00 0.00 C ATOM 361 NE ARG A 41 -10.302 -6.282 -10.363 1.00 0.00 N ATOM 362 CZ ARG A 41 -10.654 -6.403 -11.618 1.00 0.00 C ATOM 363 NH1 ARG A 41 -11.909 -6.542 -11.943 1.00 0.00 N ATOM 364 NH2 ARG A 41 -9.740 -6.408 -12.550 1.00 0.00 N ATOM 0 H ARG A 41 -10.687 -3.078 -8.946 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.515 -2.600 -9.740 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.990 -4.285 -7.686 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.704 -4.411 -8.028 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.344 -5.712 -9.908 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.119 -4.619 -10.523 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.848 -5.915 -8.331 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.771 -7.189 -9.104 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.311 -6.238 -10.125 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.625 -6.557 -11.217 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.175 -6.636 -12.923 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.755 -6.318 -12.299 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.010 -6.502 -13.529 1.00 0.00 H new ATOM 378 N ALA A 42 -11.881 -1.267 -7.300 1.00 0.00 N ATOM 379 CA ALA A 42 -11.992 -0.313 -6.149 1.00 0.00 C ATOM 380 C ALA A 42 -12.686 0.964 -6.570 1.00 0.00 C ATOM 381 O ALA A 42 -12.831 1.901 -5.809 1.00 0.00 O ATOM 382 CB ALA A 42 -10.603 0.005 -5.592 1.00 0.00 C ATOM 0 H ALA A 42 -10.927 -1.466 -7.603 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.589 -0.787 -5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.696 0.699 -4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.129 -0.915 -5.249 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.993 0.458 -6.373 1.00 0.00 H new ATOM 388 N LYS A 43 -13.111 0.990 -7.777 1.00 0.00 N ATOM 389 CA LYS A 43 -13.817 2.179 -8.332 1.00 0.00 C ATOM 390 C LYS A 43 -15.270 1.848 -8.535 1.00 0.00 C ATOM 391 O LYS A 43 -16.113 2.720 -8.611 1.00 0.00 O ATOM 392 CB LYS A 43 -13.181 2.600 -9.657 1.00 0.00 C ATOM 393 CG LYS A 43 -12.672 1.383 -10.484 1.00 0.00 C ATOM 394 CD LYS A 43 -11.181 1.567 -10.842 1.00 0.00 C ATOM 395 CE LYS A 43 -11.008 2.743 -11.815 1.00 0.00 C ATOM 396 NZ LYS A 43 -9.724 2.584 -12.555 1.00 0.00 N ATOM 0 H LYS A 43 -13.002 0.219 -8.436 1.00 0.00 H new ATOM 0 HA LYS A 43 -13.732 3.008 -7.630 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.910 3.157 -10.246 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.348 3.275 -9.459 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.806 0.464 -9.913 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.262 1.281 -11.395 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.602 1.747 -9.936 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.793 0.653 -11.292 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.843 2.777 -12.515 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.012 3.686 -11.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.603 3.379 -13.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.933 2.572 -11.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.738 1.691 -13.087 1.00 0.00 H new ATOM 410 N TRP A 44 -15.577 0.599 -8.582 1.00 0.00 N ATOM 411 CA TRP A 44 -17.006 0.206 -8.737 1.00 0.00 C ATOM 412 C TRP A 44 -17.245 -1.114 -8.016 1.00 0.00 C ATOM 413 O TRP A 44 -18.182 -1.837 -8.292 1.00 0.00 O ATOM 414 CB TRP A 44 -17.391 0.088 -10.207 1.00 0.00 C ATOM 415 CG TRP A 44 -16.281 -0.525 -10.930 1.00 0.00 C ATOM 416 CD1 TRP A 44 -15.371 0.178 -11.563 1.00 0.00 C ATOM 417 CD2 TRP A 44 -15.942 -1.925 -11.109 1.00 0.00 C ATOM 418 NE1 TRP A 44 -14.434 -0.671 -12.095 1.00 0.00 N ATOM 419 CE2 TRP A 44 -14.748 -1.989 -11.847 1.00 0.00 C ATOM 420 CE3 TRP A 44 -16.536 -3.127 -10.698 1.00 0.00 C ATOM 421 CZ2 TRP A 44 -14.147 -3.201 -12.163 1.00 0.00 C ATOM 422 CZ3 TRP A 44 -15.941 -4.359 -11.023 1.00 0.00 C ATOM 423 CH2 TRP A 44 -14.744 -4.394 -11.749 1.00 0.00 C ATOM 0 H TRP A 44 -14.912 -0.172 -8.521 1.00 0.00 H new ATOM 0 HA TRP A 44 -17.632 0.981 -8.296 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -18.292 -0.515 -10.315 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -17.615 1.072 -10.620 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -15.361 1.254 -11.651 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -13.608 -0.365 -12.610 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -17.454 -3.106 -10.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -13.225 -3.221 -12.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -16.409 -5.281 -10.712 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -14.284 -5.341 -11.988 1.00 0.00 H new ATOM 434 N ASP A 45 -16.377 -1.437 -7.105 1.00 0.00 N ATOM 435 CA ASP A 45 -16.508 -2.725 -6.361 1.00 0.00 C ATOM 436 C ASP A 45 -15.466 -2.826 -5.268 1.00 0.00 C ATOM 437 O ASP A 45 -15.769 -2.836 -4.094 1.00 0.00 O ATOM 438 CB ASP A 45 -16.283 -3.881 -7.347 1.00 0.00 C ATOM 439 CG ASP A 45 -17.625 -4.554 -7.711 1.00 0.00 C ATOM 440 OD1 ASP A 45 -18.478 -4.647 -6.844 1.00 0.00 O ATOM 441 OD2 ASP A 45 -17.769 -4.978 -8.844 1.00 0.00 O ATOM 0 H ASP A 45 -15.576 -0.864 -6.839 1.00 0.00 H new ATOM 0 HA ASP A 45 -17.500 -2.771 -5.912 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.801 -3.507 -8.250 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -15.609 -4.616 -6.907 1.00 0.00 H new ATOM 446 N THR A 46 -14.256 -2.982 -5.687 1.00 0.00 N ATOM 447 CA THR A 46 -13.114 -3.180 -4.763 1.00 0.00 C ATOM 448 C THR A 46 -13.098 -4.637 -4.433 1.00 0.00 C ATOM 449 O THR A 46 -12.066 -5.255 -4.333 1.00 0.00 O ATOM 450 CB THR A 46 -13.230 -2.279 -3.503 1.00 0.00 C ATOM 451 OG1 THR A 46 -11.980 -1.641 -3.288 1.00 0.00 O ATOM 452 CG2 THR A 46 -13.601 -3.073 -2.235 1.00 0.00 C ATOM 0 H THR A 46 -13.997 -2.981 -6.673 1.00 0.00 H new ATOM 0 HA THR A 46 -12.172 -2.885 -5.224 1.00 0.00 H new ATOM 0 HB THR A 46 -14.027 -1.558 -3.685 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.038 -1.067 -2.496 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.668 -2.392 -1.386 1.00 0.00 H new ATOM 0 HG22 THR A 46 -14.562 -3.565 -2.382 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.835 -3.823 -2.039 1.00 0.00 H new ATOM 460 N ALA A 47 -14.256 -5.187 -4.291 1.00 0.00 N ATOM 461 CA ALA A 47 -14.369 -6.637 -3.989 1.00 0.00 C ATOM 462 C ALA A 47 -14.853 -7.403 -5.201 1.00 0.00 C ATOM 463 O ALA A 47 -14.341 -8.465 -5.496 1.00 0.00 O ATOM 464 CB ALA A 47 -15.332 -6.851 -2.819 1.00 0.00 C ATOM 0 H ALA A 47 -15.145 -4.693 -4.371 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.382 -7.010 -3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -15.410 -7.916 -2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -14.957 -6.329 -1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -16.315 -6.461 -3.081 1.00 0.00 H new ATOM 470 N ASN A 48 -15.838 -6.884 -5.892 1.00 0.00 N ATOM 471 CA ASN A 48 -16.403 -7.602 -7.106 1.00 0.00 C ATOM 472 C ASN A 48 -16.206 -9.120 -6.938 1.00 0.00 C ATOM 473 O ASN A 48 -16.556 -9.705 -5.931 1.00 0.00 O ATOM 474 CB ASN A 48 -15.652 -7.169 -8.376 1.00 0.00 C ATOM 475 CG ASN A 48 -14.175 -7.527 -8.223 1.00 0.00 C ATOM 476 OD1 ASN A 48 -13.700 -8.454 -8.846 1.00 0.00 O ATOM 477 ND2 ASN A 48 -13.426 -6.837 -7.406 1.00 0.00 N ATOM 0 H ASN A 48 -16.284 -5.992 -5.677 1.00 0.00 H new ATOM 0 HA ASN A 48 -17.461 -7.354 -7.194 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.072 -7.666 -9.250 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.766 -6.097 -8.534 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.441 -7.077 -7.291 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.826 -6.058 -6.883 1.00 0.00 H new ATOM 484 N ASN A 49 -15.578 -9.724 -7.899 1.00 0.00 N ATOM 485 CA ASN A 49 -15.245 -11.160 -7.837 1.00 0.00 C ATOM 486 C ASN A 49 -14.026 -11.285 -6.896 1.00 0.00 C ATOM 487 O ASN A 49 -13.257 -10.349 -6.799 1.00 0.00 O ATOM 488 CB ASN A 49 -14.858 -11.602 -9.258 1.00 0.00 C ATOM 489 CG ASN A 49 -15.582 -12.880 -9.648 1.00 0.00 C ATOM 490 OD1 ASN A 49 -15.020 -13.956 -9.656 1.00 0.00 O ATOM 491 ND2 ASN A 49 -16.816 -12.776 -9.991 1.00 0.00 N ATOM 0 H ASN A 49 -15.272 -9.261 -8.755 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.071 -11.773 -7.475 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.101 -10.811 -9.967 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.781 -11.759 -9.313 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.338 -13.605 -10.275 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -17.274 -11.865 -9.979 1.00 0.00 H new ATOM 498 N PRO A 50 -13.861 -12.401 -6.225 1.00 0.00 N ATOM 499 CA PRO A 50 -12.716 -12.562 -5.313 1.00 0.00 C ATOM 500 C PRO A 50 -11.405 -12.189 -5.996 1.00 0.00 C ATOM 501 O PRO A 50 -10.373 -12.096 -5.366 1.00 0.00 O ATOM 502 CB PRO A 50 -12.762 -14.036 -4.859 1.00 0.00 C ATOM 503 CG PRO A 50 -14.045 -14.669 -5.481 1.00 0.00 C ATOM 504 CD PRO A 50 -14.757 -13.569 -6.308 1.00 0.00 C ATOM 0 HA PRO A 50 -12.774 -11.894 -4.454 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.871 -14.569 -5.190 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.788 -14.103 -3.771 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.785 -15.517 -6.115 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -14.704 -15.046 -4.699 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.904 -13.883 -7.341 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -15.742 -13.342 -5.901 1.00 0.00 H new ATOM 512 N LEU A 51 -11.463 -11.922 -7.256 1.00 0.00 N ATOM 513 CA LEU A 51 -10.268 -11.475 -8.023 1.00 0.00 C ATOM 514 C LEU A 51 -9.459 -10.501 -7.184 1.00 0.00 C ATOM 515 O LEU A 51 -8.269 -10.612 -6.969 1.00 0.00 O ATOM 516 CB LEU A 51 -10.842 -10.701 -9.189 1.00 0.00 C ATOM 517 CG LEU A 51 -9.838 -10.536 -10.353 1.00 0.00 C ATOM 518 CD1 LEU A 51 -8.441 -10.162 -9.845 1.00 0.00 C ATOM 519 CD2 LEU A 51 -9.748 -11.835 -11.165 1.00 0.00 C ATOM 0 H LEU A 51 -12.315 -11.995 -7.812 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.631 -12.311 -8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.733 -11.211 -9.554 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.157 -9.716 -8.845 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.204 -9.727 -10.986 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.763 -10.055 -10.691 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.492 -9.220 -9.299 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.073 -10.945 -9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.038 -11.705 -11.982 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.413 -12.646 -10.518 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.729 -12.078 -11.573 1.00 0.00 H new ATOM 531 N TYR A 52 -10.177 -9.541 -6.742 1.00 0.00 N ATOM 532 CA TYR A 52 -9.658 -8.448 -5.913 1.00 0.00 C ATOM 533 C TYR A 52 -8.893 -9.099 -4.771 1.00 0.00 C ATOM 534 O TYR A 52 -7.851 -8.647 -4.339 1.00 0.00 O ATOM 535 CB TYR A 52 -10.881 -7.640 -5.429 1.00 0.00 C ATOM 536 CG TYR A 52 -10.972 -7.711 -3.912 1.00 0.00 C ATOM 537 CD1 TYR A 52 -11.644 -8.778 -3.300 1.00 0.00 C ATOM 538 CD2 TYR A 52 -10.361 -6.730 -3.127 1.00 0.00 C ATOM 539 CE1 TYR A 52 -11.709 -8.856 -1.904 1.00 0.00 C ATOM 540 CE2 TYR A 52 -10.428 -6.805 -1.730 1.00 0.00 C ATOM 541 CZ TYR A 52 -11.102 -7.868 -1.119 1.00 0.00 C ATOM 542 OH TYR A 52 -11.166 -7.945 0.257 1.00 0.00 O ATOM 0 H TYR A 52 -11.175 -9.463 -6.935 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.985 -7.768 -6.435 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -10.794 -6.602 -5.750 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -11.792 -8.037 -5.877 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -12.112 -9.540 -3.906 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -9.836 -5.912 -3.598 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -12.227 -9.678 -1.432 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -9.960 -6.043 -1.125 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.693 -7.182 0.650 1.00 0.00 H new ATOM 552 N LYS A 53 -9.423 -10.193 -4.315 1.00 0.00 N ATOM 553 CA LYS A 53 -8.773 -10.953 -3.228 1.00 0.00 C ATOM 554 C LYS A 53 -7.718 -11.839 -3.856 1.00 0.00 C ATOM 555 O LYS A 53 -6.784 -12.272 -3.210 1.00 0.00 O ATOM 556 CB LYS A 53 -9.812 -11.811 -2.492 1.00 0.00 C ATOM 557 CG LYS A 53 -9.244 -12.291 -1.143 1.00 0.00 C ATOM 558 CD LYS A 53 -9.451 -11.218 -0.064 1.00 0.00 C ATOM 559 CE LYS A 53 -9.027 -11.774 1.297 1.00 0.00 C ATOM 560 NZ LYS A 53 -10.076 -12.704 1.802 1.00 0.00 N ATOM 0 H LYS A 53 -10.295 -10.597 -4.658 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.320 -10.275 -2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.721 -11.233 -2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.087 -12.669 -3.106 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.735 -13.217 -0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.182 -12.512 -1.246 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.867 -10.329 -0.303 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.497 -10.914 -0.035 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.075 -12.297 1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.878 -10.958 2.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.913 -12.896 2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.013 -12.270 1.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.035 -13.596 1.269 1.00 0.00 H new ATOM 574 N GLU A 54 -7.850 -12.105 -5.128 1.00 0.00 N ATOM 575 CA GLU A 54 -6.819 -12.968 -5.798 1.00 0.00 C ATOM 576 C GLU A 54 -5.647 -12.102 -6.225 1.00 0.00 C ATOM 577 O GLU A 54 -4.525 -12.554 -6.331 1.00 0.00 O ATOM 578 CB GLU A 54 -7.382 -13.678 -7.032 1.00 0.00 C ATOM 579 CG GLU A 54 -8.630 -14.489 -6.657 1.00 0.00 C ATOM 580 CD GLU A 54 -8.886 -15.565 -7.717 1.00 0.00 C ATOM 581 OE1 GLU A 54 -8.712 -15.268 -8.888 1.00 0.00 O ATOM 582 OE2 GLU A 54 -9.251 -16.666 -7.340 1.00 0.00 O ATOM 0 H GLU A 54 -8.607 -11.773 -5.726 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.504 -13.728 -5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.633 -12.945 -7.799 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.626 -14.338 -7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.494 -14.953 -5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.494 -13.829 -6.579 1.00 0.00 H new ATOM 589 N ALA A 55 -5.903 -10.858 -6.463 1.00 0.00 N ATOM 590 CA ALA A 55 -4.806 -9.944 -6.881 1.00 0.00 C ATOM 591 C ALA A 55 -3.683 -10.032 -5.851 1.00 0.00 C ATOM 592 O ALA A 55 -2.516 -9.953 -6.179 1.00 0.00 O ATOM 593 CB ALA A 55 -5.328 -8.508 -6.955 1.00 0.00 C ATOM 0 H ALA A 55 -6.824 -10.427 -6.388 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.435 -10.233 -7.864 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.521 -7.843 -7.261 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.139 -8.453 -7.681 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.697 -8.204 -5.975 1.00 0.00 H new ATOM 599 N THR A 56 -4.027 -10.218 -4.606 1.00 0.00 N ATOM 600 CA THR A 56 -2.994 -10.336 -3.554 1.00 0.00 C ATOM 601 C THR A 56 -2.483 -11.770 -3.563 1.00 0.00 C ATOM 602 O THR A 56 -1.306 -12.038 -3.426 1.00 0.00 O ATOM 603 CB THR A 56 -3.633 -10.000 -2.200 1.00 0.00 C ATOM 604 OG1 THR A 56 -5.034 -10.219 -2.279 1.00 0.00 O ATOM 605 CG2 THR A 56 -3.370 -8.535 -1.829 1.00 0.00 C ATOM 0 H THR A 56 -4.989 -10.293 -4.276 1.00 0.00 H new ATOM 0 HA THR A 56 -2.164 -9.651 -3.730 1.00 0.00 H new ATOM 0 HB THR A 56 -3.195 -10.640 -1.434 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.206 -11.145 -2.551 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.831 -8.315 -0.866 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.296 -8.363 -1.765 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.797 -7.884 -2.592 1.00 0.00 H new ATOM 613 N SER A 57 -3.377 -12.680 -3.747 1.00 0.00 N ATOM 614 CA SER A 57 -2.991 -14.114 -3.797 1.00 0.00 C ATOM 615 C SER A 57 -2.041 -14.302 -4.973 1.00 0.00 C ATOM 616 O SER A 57 -1.268 -15.236 -5.023 1.00 0.00 O ATOM 617 CB SER A 57 -4.235 -14.982 -3.992 1.00 0.00 C ATOM 618 OG SER A 57 -4.553 -15.040 -5.377 1.00 0.00 O ATOM 0 H SER A 57 -4.373 -12.497 -3.867 1.00 0.00 H new ATOM 0 HA SER A 57 -2.507 -14.409 -2.866 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.057 -15.985 -3.605 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.073 -14.568 -3.431 1.00 0.00 H new ATOM 0 HG SER A 57 -4.457 -14.148 -5.772 1.00 0.00 H new ATOM 624 N THR A 58 -2.087 -13.400 -5.918 1.00 0.00 N ATOM 625 CA THR A 58 -1.190 -13.496 -7.092 1.00 0.00 C ATOM 626 C THR A 58 0.236 -13.677 -6.585 1.00 0.00 C ATOM 627 O THR A 58 1.130 -14.075 -7.304 1.00 0.00 O ATOM 628 CB THR A 58 -1.284 -12.209 -7.915 1.00 0.00 C ATOM 629 OG1 THR A 58 -2.650 -11.864 -8.097 1.00 0.00 O ATOM 630 CG2 THR A 58 -0.624 -12.424 -9.279 1.00 0.00 C ATOM 0 H THR A 58 -2.715 -12.596 -5.921 1.00 0.00 H new ATOM 0 HA THR A 58 -1.477 -14.338 -7.721 1.00 0.00 H new ATOM 0 HB THR A 58 -0.772 -11.403 -7.389 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.215 -12.492 -7.600 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.691 -11.507 -9.864 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.424 -12.689 -9.138 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.134 -13.230 -9.807 1.00 0.00 H new ATOM 638 N PHE A 59 0.437 -13.379 -5.333 1.00 0.00 N ATOM 639 CA PHE A 59 1.784 -13.513 -4.721 1.00 0.00 C ATOM 640 C PHE A 59 2.025 -14.960 -4.344 1.00 0.00 C ATOM 641 O PHE A 59 3.050 -15.549 -4.627 1.00 0.00 O ATOM 642 CB PHE A 59 1.799 -12.663 -3.456 1.00 0.00 C ATOM 643 CG PHE A 59 3.219 -12.458 -2.987 1.00 0.00 C ATOM 644 CD1 PHE A 59 3.805 -13.377 -2.108 1.00 0.00 C ATOM 645 CD2 PHE A 59 3.949 -11.348 -3.427 1.00 0.00 C ATOM 646 CE1 PHE A 59 5.121 -13.186 -1.670 1.00 0.00 C ATOM 647 CE2 PHE A 59 5.266 -11.156 -2.990 1.00 0.00 C ATOM 648 CZ PHE A 59 5.852 -12.076 -2.111 1.00 0.00 C ATOM 0 H PHE A 59 -0.288 -13.043 -4.699 1.00 0.00 H new ATOM 0 HA PHE A 59 2.557 -13.191 -5.419 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.329 -11.699 -3.650 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.216 -13.150 -2.674 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.242 -14.233 -1.768 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.497 -10.639 -4.104 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.573 -13.895 -0.992 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.829 -10.300 -3.330 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.867 -11.929 -1.774 1.00 0.00 H new ATOM 658 N THR A 60 1.070 -15.512 -3.688 1.00 0.00 N ATOM 659 CA THR A 60 1.162 -16.928 -3.231 1.00 0.00 C ATOM 660 C THR A 60 0.681 -17.853 -4.353 1.00 0.00 C ATOM 661 O THR A 60 1.030 -19.012 -4.415 1.00 0.00 O ATOM 662 CB THR A 60 0.308 -17.075 -1.948 1.00 0.00 C ATOM 663 OG1 THR A 60 1.173 -17.201 -0.828 1.00 0.00 O ATOM 664 CG2 THR A 60 -0.617 -18.297 -2.004 1.00 0.00 C ATOM 0 H THR A 60 0.201 -15.040 -3.436 1.00 0.00 H new ATOM 0 HA THR A 60 2.190 -17.206 -2.998 1.00 0.00 H new ATOM 0 HB THR A 60 -0.318 -16.187 -1.862 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.639 -17.293 -0.011 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.196 -18.358 -1.082 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.295 -18.202 -2.852 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.019 -19.201 -2.117 1.00 0.00 H new ATOM 672 N ASN A 61 -0.116 -17.337 -5.227 1.00 0.00 N ATOM 673 CA ASN A 61 -0.638 -18.163 -6.355 1.00 0.00 C ATOM 674 C ASN A 61 0.531 -18.693 -7.181 1.00 0.00 C ATOM 675 O ASN A 61 0.366 -19.497 -8.077 1.00 0.00 O ATOM 676 CB ASN A 61 -1.523 -17.296 -7.243 1.00 0.00 C ATOM 677 CG ASN A 61 -2.283 -18.179 -8.233 1.00 0.00 C ATOM 678 OD1 ASN A 61 -1.921 -18.267 -9.389 1.00 0.00 O ATOM 679 ND2 ASN A 61 -3.331 -18.842 -7.826 1.00 0.00 N ATOM 0 H ASN A 61 -0.438 -16.369 -5.217 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.215 -18.999 -5.958 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.226 -16.731 -6.631 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.914 -16.570 -7.782 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -3.845 -19.434 -8.479 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -3.636 -18.769 -6.855 1.00 0.00 H new ATOM 686 N ILE A 62 1.711 -18.236 -6.887 1.00 0.00 N ATOM 687 CA ILE A 62 2.920 -18.687 -7.644 1.00 0.00 C ATOM 688 C ILE A 62 3.567 -19.828 -6.871 1.00 0.00 C ATOM 689 O ILE A 62 4.390 -20.563 -7.381 1.00 0.00 O ATOM 690 CB ILE A 62 3.905 -17.508 -7.776 1.00 0.00 C ATOM 691 CG1 ILE A 62 3.118 -16.195 -7.815 1.00 0.00 C ATOM 692 CG2 ILE A 62 4.727 -17.645 -9.062 1.00 0.00 C ATOM 693 CD1 ILE A 62 4.081 -15.026 -8.029 1.00 0.00 C ATOM 0 H ILE A 62 1.898 -17.560 -6.146 1.00 0.00 H new ATOM 0 HA ILE A 62 2.645 -19.028 -8.642 1.00 0.00 H new ATOM 0 HB ILE A 62 4.581 -17.512 -6.921 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.382 -16.224 -8.618 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.568 -16.061 -6.883 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.418 -16.806 -9.143 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.290 -18.578 -9.036 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.058 -17.648 -9.923 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.519 -14.092 -8.057 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.800 -14.993 -7.211 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.611 -15.159 -8.972 1.00 0.00 H new ATOM 705 N THR A 63 3.184 -19.965 -5.636 1.00 0.00 N ATOM 706 CA THR A 63 3.737 -21.045 -4.762 1.00 0.00 C ATOM 707 C THR A 63 2.577 -21.895 -4.246 1.00 0.00 C ATOM 708 O THR A 63 2.756 -22.999 -3.770 1.00 0.00 O ATOM 709 CB THR A 63 4.517 -20.390 -3.617 1.00 0.00 C ATOM 710 OG1 THR A 63 5.896 -20.358 -3.955 1.00 0.00 O ATOM 711 CG2 THR A 63 4.343 -21.146 -2.289 1.00 0.00 C ATOM 0 H THR A 63 2.497 -19.364 -5.181 1.00 0.00 H new ATOM 0 HA THR A 63 4.417 -21.696 -5.311 1.00 0.00 H new ATOM 0 HB THR A 63 4.125 -19.382 -3.480 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.401 -19.939 -3.228 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.914 -20.645 -1.507 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.288 -21.161 -2.015 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.703 -22.168 -2.402 1.00 0.00 H new ATOM 719 N TYR A 64 1.391 -21.382 -4.342 1.00 0.00 N ATOM 720 CA TYR A 64 0.205 -22.146 -3.861 1.00 0.00 C ATOM 721 C TYR A 64 0.201 -23.538 -4.493 1.00 0.00 C ATOM 722 O TYR A 64 -0.554 -24.408 -4.106 1.00 0.00 O ATOM 723 CB TYR A 64 -1.091 -21.395 -4.222 1.00 0.00 C ATOM 724 CG TYR A 64 -1.486 -21.652 -5.678 1.00 0.00 C ATOM 725 CD1 TYR A 64 -0.544 -21.544 -6.724 1.00 0.00 C ATOM 726 CD2 TYR A 64 -2.811 -22.005 -5.978 1.00 0.00 C ATOM 727 CE1 TYR A 64 -0.937 -21.788 -8.046 1.00 0.00 C ATOM 728 CE2 TYR A 64 -3.195 -22.247 -7.302 1.00 0.00 C ATOM 729 CZ TYR A 64 -2.260 -22.137 -8.334 1.00 0.00 C ATOM 730 OH TYR A 64 -2.642 -22.376 -9.638 1.00 0.00 O ATOM 0 H TYR A 64 1.185 -20.463 -4.734 1.00 0.00 H new ATOM 0 HA TYR A 64 0.259 -22.246 -2.777 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.897 -21.714 -3.561 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.953 -20.326 -4.062 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.478 -21.274 -6.505 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.538 -22.090 -5.183 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.216 -21.706 -8.846 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -4.216 -22.519 -7.526 1.00 0.00 H new ATOM 0 HH TYR A 64 -3.594 -22.608 -9.663 1.00 0.00 H new