USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 460 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 10 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 18 SER OG : rot 180:sc= -0.439 USER MOD Set 2.1: A 1 MET CE :methyl 175:sc= -0.605 (180deg=0) USER MOD Set 2.2: A 57 ASN : amide:sc= -0.869 X(o=-1.5,f=-1.8) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.616 (180deg=-0.805) USER MOD Single : A 6 LYS NZ :NH3+ -117:sc= -1.69! (180deg=-4.94!) USER MOD Single : A 7 HIS : no HD1:sc= -3.57 X(o=-3.6,f=-3.7!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -38:sc= 1 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.992 X(o=-0.99,f=-0.51) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc=0.000921 X(o=0.00092,f=-0.22) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -147:sc= -0.735 (180deg=-3.28!) USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0645) USER MOD Single : A 58 HIS : no HD1:sc= -0.387 X(o=-0.39,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.380 -10.438 -5.103 1.00 0.00 N ATOM 2 CA MET A 1 -1.823 -10.062 -5.216 1.00 0.00 C ATOM 3 C MET A 1 -2.353 -9.420 -3.938 1.00 0.00 C ATOM 4 O MET A 1 -3.190 -8.520 -3.986 1.00 0.00 O ATOM 5 CB MET A 1 -2.630 -11.312 -5.578 1.00 0.00 C ATOM 6 CG MET A 1 -2.447 -12.470 -4.611 1.00 0.00 C ATOM 7 SD MET A 1 -3.069 -14.024 -5.280 1.00 0.00 S ATOM 8 CE MET A 1 -2.718 -15.139 -3.926 1.00 0.00 C ATOM 0 H1 MET A 1 -0.107 -11.019 -5.922 1.00 0.00 H new ATOM 0 H2 MET A 1 0.202 -9.577 -5.080 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.230 -10.981 -4.229 1.00 0.00 H new ATOM 0 HA MET A 1 -1.928 -9.313 -6.000 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.687 -11.050 -5.618 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.344 -11.639 -6.578 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.389 -12.577 -4.372 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.963 -12.246 -3.678 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.125 -16.125 -4.151 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.640 -15.215 -3.788 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.175 -14.758 -3.013 1.00 0.00 H new ATOM 20 N GLU A 2 -1.863 -9.885 -2.812 1.00 0.00 N ATOM 21 CA GLU A 2 -2.283 -9.334 -1.523 1.00 0.00 C ATOM 22 C GLU A 2 -1.070 -8.971 -0.672 1.00 0.00 C ATOM 23 O GLU A 2 -0.058 -9.673 -0.669 1.00 0.00 O ATOM 24 CB GLU A 2 -3.246 -10.276 -0.783 1.00 0.00 C ATOM 25 CG GLU A 2 -4.381 -10.795 -1.653 1.00 0.00 C ATOM 26 CD GLU A 2 -5.175 -11.899 -0.980 1.00 0.00 C ATOM 27 OE1 GLU A 2 -4.550 -12.810 -0.399 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.424 -11.853 -1.035 1.00 0.00 O ATOM 0 H GLU A 2 -1.178 -10.638 -2.751 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.839 -8.417 -1.716 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.683 -11.123 -0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.668 -9.751 0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.050 -9.971 -1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.973 -11.167 -2.592 1.00 0.00 H new ATOM 35 N ALA A 3 -1.183 -7.852 0.037 1.00 0.00 N ATOM 36 CA ALA A 3 -0.133 -7.318 0.886 1.00 0.00 C ATOM 37 C ALA A 3 -0.747 -6.624 2.092 1.00 0.00 C ATOM 38 O ALA A 3 -1.706 -5.865 1.949 1.00 0.00 O ATOM 39 CB ALA A 3 0.748 -6.358 0.100 1.00 0.00 C ATOM 0 H ALA A 3 -2.028 -7.281 0.034 1.00 0.00 H new ATOM 0 HA ALA A 3 0.492 -8.139 1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.530 -5.966 0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.203 -6.885 -0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.142 -5.533 -0.276 1.00 0.00 H new ATOM 45 N ILE A 4 -0.170 -6.816 3.266 1.00 0.00 N ATOM 46 CA ILE A 4 -0.671 -6.168 4.459 1.00 0.00 C ATOM 47 C ILE A 4 0.248 -5.028 4.846 1.00 0.00 C ATOM 48 O ILE A 4 1.420 -5.016 4.470 1.00 0.00 O ATOM 49 CB ILE A 4 -0.832 -7.203 5.611 1.00 0.00 C ATOM 50 CG1 ILE A 4 -2.243 -7.112 6.207 1.00 0.00 C ATOM 51 CG2 ILE A 4 0.229 -7.053 6.703 1.00 0.00 C ATOM 52 CD1 ILE A 4 -2.490 -5.883 7.062 1.00 0.00 C ATOM 0 H ILE A 4 0.643 -7.414 3.415 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.658 -5.750 4.260 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.685 -8.191 5.175 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.968 -7.124 5.393 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.426 -8.001 6.810 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.063 -7.802 7.477 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.219 -7.192 6.270 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.162 -6.057 7.141 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.512 -5.903 7.441 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.793 -5.876 7.900 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.343 -4.986 6.461 1.00 0.00 H new ATOM 64 N ALA A 5 -0.256 -4.101 5.634 1.00 0.00 N ATOM 65 CA ALA A 5 0.560 -2.983 6.060 1.00 0.00 C ATOM 66 C ALA A 5 0.142 -2.486 7.414 1.00 0.00 C ATOM 67 O ALA A 5 -0.887 -1.813 7.529 1.00 0.00 O ATOM 68 CB ALA A 5 0.456 -1.868 5.040 1.00 0.00 C ATOM 0 H ALA A 5 -1.212 -4.098 5.988 1.00 0.00 H new ATOM 0 HA ALA A 5 1.594 -3.318 6.135 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.069 -1.025 5.358 1.00 0.00 H new ATOM 0 HB2 ALA A 5 0.806 -2.226 4.072 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.583 -1.549 4.954 1.00 0.00 H new ATOM 74 N LYS A 6 0.949 -2.725 8.445 1.00 0.00 N ATOM 75 CA LYS A 6 0.549 -2.186 9.725 1.00 0.00 C ATOM 76 C LYS A 6 1.422 -1.038 10.161 1.00 0.00 C ATOM 77 O LYS A 6 2.382 -1.195 10.919 1.00 0.00 O ATOM 78 CB LYS A 6 0.576 -3.281 10.812 1.00 0.00 C ATOM 79 CG LYS A 6 1.113 -4.630 10.354 1.00 0.00 C ATOM 80 CD LYS A 6 2.593 -4.559 10.023 1.00 0.00 C ATOM 81 CE LYS A 6 2.896 -5.267 8.716 1.00 0.00 C ATOM 82 NZ LYS A 6 4.190 -4.824 8.137 1.00 0.00 N ATOM 0 H LYS A 6 1.822 -3.251 8.422 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.467 -1.813 9.599 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.184 -2.929 11.646 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.436 -3.420 11.192 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.950 -5.372 11.136 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.559 -4.964 9.477 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.904 -3.516 9.956 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.171 -5.013 10.828 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.922 -6.344 8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.094 -5.074 8.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.021 -4.364 7.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.647 -4.149 8.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.810 -5.648 8.002 1.00 0.00 H new ATOM 96 N HIS A 7 0.942 0.129 9.800 1.00 0.00 N ATOM 97 CA HIS A 7 1.467 1.401 10.239 1.00 0.00 C ATOM 98 C HIS A 7 0.391 2.398 9.819 1.00 0.00 C ATOM 99 O HIS A 7 0.064 2.426 8.631 1.00 0.00 O ATOM 100 CB HIS A 7 2.832 1.711 9.637 1.00 0.00 C ATOM 101 CG HIS A 7 3.969 1.137 10.428 1.00 0.00 C ATOM 102 ND1 HIS A 7 3.856 0.770 11.754 1.00 0.00 N ATOM 103 CD2 HIS A 7 5.247 0.867 10.073 1.00 0.00 C ATOM 104 CE1 HIS A 7 5.016 0.300 12.179 1.00 0.00 C ATOM 105 NE2 HIS A 7 5.876 0.347 11.180 1.00 0.00 N ATOM 0 H HIS A 7 0.146 0.222 9.169 1.00 0.00 H new ATOM 0 HA HIS A 7 1.657 1.427 11.312 1.00 0.00 H new ATOM 0 HB2 HIS A 7 2.871 1.320 8.620 1.00 0.00 H new ATOM 0 HB3 HIS A 7 2.955 2.792 9.568 1.00 0.00 H new ATOM 0 HD2 HIS A 7 5.690 1.030 9.102 1.00 0.00 H new ATOM 0 HE1 HIS A 7 5.224 -0.061 13.175 1.00 0.00 H new ATOM 0 HE2 HIS A 7 6.850 0.046 11.222 1.00 0.00 H new ATOM 114 N ASP A 8 -0.153 3.240 10.687 1.00 0.00 N ATOM 115 CA ASP A 8 -1.140 4.198 10.191 1.00 0.00 C ATOM 116 C ASP A 8 -0.432 5.065 9.152 1.00 0.00 C ATOM 117 O ASP A 8 0.782 5.235 9.226 1.00 0.00 O ATOM 118 CB ASP A 8 -1.723 5.079 11.302 1.00 0.00 C ATOM 119 CG ASP A 8 -0.655 5.810 12.094 1.00 0.00 C ATOM 120 OD1 ASP A 8 0.141 5.137 12.781 1.00 0.00 O ATOM 121 OD2 ASP A 8 -0.620 7.057 12.030 1.00 0.00 O ATOM 0 H ASP A 8 0.054 3.285 11.685 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.984 3.656 9.764 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.405 5.807 10.862 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.311 4.460 11.979 1.00 0.00 H new ATOM 126 N PHE A 9 -1.175 5.652 8.219 1.00 0.00 N ATOM 127 CA PHE A 9 -0.537 6.524 7.230 1.00 0.00 C ATOM 128 C PHE A 9 -1.518 7.384 6.450 1.00 0.00 C ATOM 129 O PHE A 9 -2.633 6.979 6.100 1.00 0.00 O ATOM 130 CB PHE A 9 0.290 5.729 6.205 1.00 0.00 C ATOM 131 CG PHE A 9 1.005 6.598 5.206 1.00 0.00 C ATOM 132 CD1 PHE A 9 1.974 7.497 5.621 1.00 0.00 C ATOM 133 CD2 PHE A 9 0.705 6.518 3.856 1.00 0.00 C ATOM 134 CE1 PHE A 9 2.631 8.301 4.709 1.00 0.00 C ATOM 135 CE2 PHE A 9 1.359 7.318 2.940 1.00 0.00 C ATOM 136 CZ PHE A 9 2.322 8.212 3.366 1.00 0.00 C ATOM 0 H PHE A 9 -2.185 5.548 8.124 1.00 0.00 H new ATOM 0 HA PHE A 9 0.106 7.171 7.827 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.023 5.120 6.735 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.369 5.043 5.672 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.219 7.570 6.670 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.048 5.823 3.516 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.385 8.997 5.046 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.117 7.245 1.890 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.832 8.840 2.650 1.00 0.00 H new ATOM 146 N SER A 10 -0.955 8.524 6.057 1.00 0.00 N ATOM 147 CA SER A 10 -1.664 9.459 5.206 1.00 0.00 C ATOM 148 C SER A 10 -0.735 10.024 4.139 1.00 0.00 C ATOM 149 O SER A 10 0.003 10.977 4.382 1.00 0.00 O ATOM 150 CB SER A 10 -2.275 10.602 6.012 1.00 0.00 C ATOM 151 OG SER A 10 -3.435 11.106 5.374 1.00 0.00 O ATOM 0 H SER A 10 -0.013 8.816 6.316 1.00 0.00 H new ATOM 0 HA SER A 10 -2.473 8.909 4.726 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.528 10.252 7.013 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.543 11.401 6.130 1.00 0.00 H new ATOM 0 HG SER A 10 -3.811 11.836 5.908 1.00 0.00 H new ATOM 157 N ALA A 11 -0.852 9.448 2.945 1.00 0.00 N ATOM 158 CA ALA A 11 -0.082 9.808 1.757 1.00 0.00 C ATOM 159 C ALA A 11 0.619 11.151 1.819 1.00 0.00 C ATOM 160 O ALA A 11 0.151 12.125 2.409 1.00 0.00 O ATOM 161 CB ALA A 11 -1.035 9.824 0.587 1.00 0.00 C ATOM 0 H ALA A 11 -1.511 8.689 2.772 1.00 0.00 H new ATOM 0 HA ALA A 11 0.712 9.067 1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.493 10.090 -0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.481 8.837 0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.821 10.557 0.768 1.00 0.00 H new ATOM 167 N THR A 12 1.781 11.146 1.158 1.00 0.00 N ATOM 168 CA THR A 12 2.651 12.299 1.065 1.00 0.00 C ATOM 169 C THR A 12 2.566 12.930 -0.334 1.00 0.00 C ATOM 170 O THR A 12 2.984 14.069 -0.546 1.00 0.00 O ATOM 171 CB THR A 12 4.094 11.883 1.447 1.00 0.00 C ATOM 172 OG1 THR A 12 4.339 12.172 2.813 1.00 0.00 O ATOM 173 CG2 THR A 12 5.187 12.559 0.646 1.00 0.00 C ATOM 0 H THR A 12 2.139 10.325 0.670 1.00 0.00 H new ATOM 0 HA THR A 12 2.329 13.067 1.768 1.00 0.00 H new ATOM 0 HB THR A 12 4.137 10.816 1.228 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.253 11.904 3.045 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.160 12.204 0.986 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.063 12.322 -0.411 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.126 13.638 0.786 1.00 0.00 H new ATOM 181 N ALA A 13 1.966 12.192 -1.261 1.00 0.00 N ATOM 182 CA ALA A 13 1.750 12.682 -2.617 1.00 0.00 C ATOM 183 C ALA A 13 0.286 12.451 -2.952 1.00 0.00 C ATOM 184 O ALA A 13 -0.346 11.579 -2.359 1.00 0.00 O ATOM 185 CB ALA A 13 2.667 11.987 -3.612 1.00 0.00 C ATOM 0 H ALA A 13 1.619 11.247 -1.097 1.00 0.00 H new ATOM 0 HA ALA A 13 1.989 13.744 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.480 12.376 -4.613 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.706 12.172 -3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.473 10.914 -3.598 1.00 0.00 H new ATOM 191 N ASP A 14 -0.279 13.228 -3.868 1.00 0.00 N ATOM 192 CA ASP A 14 -1.681 13.110 -4.238 1.00 0.00 C ATOM 193 C ASP A 14 -2.041 11.725 -4.754 1.00 0.00 C ATOM 194 O ASP A 14 -3.120 11.202 -4.475 1.00 0.00 O ATOM 195 CB ASP A 14 -2.018 14.119 -5.338 1.00 0.00 C ATOM 196 CG ASP A 14 -3.223 14.969 -4.989 1.00 0.00 C ATOM 197 OD1 ASP A 14 -3.313 15.424 -3.829 1.00 0.00 O ATOM 198 OD2 ASP A 14 -4.077 15.180 -5.875 1.00 0.00 O ATOM 0 H ASP A 14 0.223 13.957 -4.374 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.253 13.302 -3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.158 14.766 -5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.209 13.587 -6.270 1.00 0.00 H new ATOM 203 N ASP A 15 -1.100 11.117 -5.462 1.00 0.00 N ATOM 204 CA ASP A 15 -1.296 9.779 -5.995 1.00 0.00 C ATOM 205 C ASP A 15 -0.872 8.719 -4.978 1.00 0.00 C ATOM 206 O ASP A 15 -0.632 7.569 -5.345 1.00 0.00 O ATOM 207 CB ASP A 15 -0.500 9.613 -7.290 1.00 0.00 C ATOM 208 CG ASP A 15 0.949 10.029 -7.129 1.00 0.00 C ATOM 209 OD1 ASP A 15 1.627 9.482 -6.235 1.00 0.00 O ATOM 210 OD2 ASP A 15 1.404 10.905 -7.895 1.00 0.00 O ATOM 0 H ASP A 15 -0.193 11.530 -5.680 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.357 9.644 -6.205 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.544 8.572 -7.611 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.962 10.209 -8.077 1.00 0.00 H new ATOM 215 N GLU A 16 -0.813 9.087 -3.698 1.00 0.00 N ATOM 216 CA GLU A 16 -0.448 8.132 -2.659 1.00 0.00 C ATOM 217 C GLU A 16 -1.687 7.695 -1.890 1.00 0.00 C ATOM 218 O GLU A 16 -2.389 8.504 -1.283 1.00 0.00 O ATOM 219 CB GLU A 16 0.587 8.720 -1.698 1.00 0.00 C ATOM 220 CG GLU A 16 1.994 8.761 -2.255 1.00 0.00 C ATOM 221 CD GLU A 16 3.041 8.630 -1.168 1.00 0.00 C ATOM 222 OE1 GLU A 16 2.997 7.630 -0.424 1.00 0.00 O ATOM 223 OE2 GLU A 16 3.899 9.531 -1.055 1.00 0.00 O ATOM 0 H GLU A 16 -1.011 10.029 -3.361 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.001 7.264 -3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.284 9.732 -1.430 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.588 8.134 -0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.121 7.956 -2.979 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.144 9.698 -2.791 1.00 0.00 H new ATOM 230 N LEU A 17 -1.964 6.412 -1.964 1.00 0.00 N ATOM 231 CA LEU A 17 -3.126 5.838 -1.305 1.00 0.00 C ATOM 232 C LEU A 17 -2.871 5.646 0.195 1.00 0.00 C ATOM 233 O LEU A 17 -1.962 4.919 0.586 1.00 0.00 O ATOM 234 CB LEU A 17 -3.412 4.459 -1.905 1.00 0.00 C ATOM 235 CG LEU A 17 -4.877 4.003 -1.865 1.00 0.00 C ATOM 236 CD1 LEU A 17 -5.832 5.191 -1.842 1.00 0.00 C ATOM 237 CD2 LEU A 17 -5.181 3.109 -3.056 1.00 0.00 C ATOM 0 H LEU A 17 -1.397 5.737 -2.478 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.965 6.518 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.080 4.460 -2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.807 3.722 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.025 3.438 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.860 4.831 -1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.636 5.798 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.683 5.795 -2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.223 2.792 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.004 3.661 -3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.534 2.232 -3.027 1.00 0.00 H new ATOM 249 N SER A 18 -3.721 6.251 1.027 1.00 0.00 N ATOM 250 CA SER A 18 -3.599 6.128 2.487 1.00 0.00 C ATOM 251 C SER A 18 -4.283 4.875 3.004 1.00 0.00 C ATOM 252 O SER A 18 -4.996 4.190 2.270 1.00 0.00 O ATOM 253 CB SER A 18 -4.211 7.341 3.188 1.00 0.00 C ATOM 254 OG SER A 18 -3.589 8.538 2.777 1.00 0.00 O ATOM 0 H SER A 18 -4.501 6.831 0.719 1.00 0.00 H new ATOM 0 HA SER A 18 -2.533 6.069 2.708 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.278 7.390 2.970 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.111 7.229 4.268 1.00 0.00 H new ATOM 0 HG SER A 18 -4.002 9.297 3.240 1.00 0.00 H new ATOM 260 N PHE A 19 -4.015 4.551 4.276 1.00 0.00 N ATOM 261 CA PHE A 19 -4.583 3.363 4.902 1.00 0.00 C ATOM 262 C PHE A 19 -4.331 3.333 6.415 1.00 0.00 C ATOM 263 O PHE A 19 -3.758 4.271 6.982 1.00 0.00 O ATOM 264 CB PHE A 19 -4.035 2.095 4.241 1.00 0.00 C ATOM 265 CG PHE A 19 -2.563 1.899 4.468 1.00 0.00 C ATOM 266 CD1 PHE A 19 -1.632 2.571 3.693 1.00 0.00 C ATOM 267 CD2 PHE A 19 -2.113 1.050 5.463 1.00 0.00 C ATOM 268 CE1 PHE A 19 -0.278 2.397 3.910 1.00 0.00 C ATOM 269 CE2 PHE A 19 -0.762 0.873 5.683 1.00 0.00 C ATOM 270 CZ PHE A 19 0.158 1.547 4.906 1.00 0.00 C ATOM 0 H PHE A 19 -3.408 5.098 4.886 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.662 3.402 4.754 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.574 1.230 4.627 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.228 2.139 3.169 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.967 3.237 2.912 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.827 0.519 6.075 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.439 2.926 3.300 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.425 0.207 6.463 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.216 1.410 5.077 1.00 0.00 H new ATOM 280 N ARG A 20 -4.826 2.286 7.071 1.00 0.00 N ATOM 281 CA ARG A 20 -4.698 2.146 8.520 1.00 0.00 C ATOM 282 C ARG A 20 -3.857 0.919 8.873 1.00 0.00 C ATOM 283 O ARG A 20 -3.642 0.056 8.020 1.00 0.00 O ATOM 284 CB ARG A 20 -6.085 2.047 9.161 1.00 0.00 C ATOM 285 CG ARG A 20 -6.080 2.131 10.682 1.00 0.00 C ATOM 286 CD ARG A 20 -7.339 1.518 11.267 1.00 0.00 C ATOM 287 NE ARG A 20 -7.163 0.097 11.577 1.00 0.00 N ATOM 288 CZ ARG A 20 -8.112 -0.828 11.423 1.00 0.00 C ATOM 289 NH1 ARG A 20 -9.313 -0.491 10.973 1.00 0.00 N ATOM 290 NH2 ARG A 20 -7.858 -2.093 11.728 1.00 0.00 N ATOM 0 H ARG A 20 -5.322 1.518 6.619 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.191 3.028 8.911 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.713 2.846 8.767 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.544 1.105 8.862 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.204 1.615 11.075 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.001 3.173 10.992 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.617 2.055 12.174 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.162 1.636 10.562 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.256 -0.205 11.934 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.517 0.481 10.742 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.033 -1.204 10.858 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.938 -2.358 12.080 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.583 -2.801 11.611 1.00 0.00 H new ATOM 304 N LYS A 21 -3.424 0.793 10.123 1.00 0.00 N ATOM 305 CA LYS A 21 -2.665 -0.377 10.536 1.00 0.00 C ATOM 306 C LYS A 21 -3.511 -1.642 10.358 1.00 0.00 C ATOM 307 O LYS A 21 -4.674 -1.679 10.755 1.00 0.00 O ATOM 308 CB LYS A 21 -2.277 -0.260 12.012 1.00 0.00 C ATOM 309 CG LYS A 21 -1.021 -1.033 12.365 1.00 0.00 C ATOM 310 CD LYS A 21 -1.177 -1.822 13.656 1.00 0.00 C ATOM 311 CE LYS A 21 -0.189 -1.358 14.713 1.00 0.00 C ATOM 312 NZ LYS A 21 0.980 -2.273 14.823 1.00 0.00 N ATOM 0 H LYS A 21 -3.584 1.480 10.860 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.768 -0.437 9.919 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.130 0.791 12.260 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.102 -0.620 12.627 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.775 -1.715 11.551 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.185 -0.340 12.463 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.194 -1.710 14.032 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.027 -2.883 13.456 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.158 -0.354 14.469 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.693 -1.296 15.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.629 -1.920 15.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.652 -3.226 15.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.476 -2.313 13.910 1.00 0.00 H new ATOM 326 N THR A 22 -2.907 -2.676 9.772 1.00 0.00 N ATOM 327 CA THR A 22 -3.549 -3.977 9.581 1.00 0.00 C ATOM 328 C THR A 22 -4.535 -4.056 8.426 1.00 0.00 C ATOM 329 O THR A 22 -5.183 -5.089 8.262 1.00 0.00 O ATOM 330 CB THR A 22 -4.231 -4.443 10.872 1.00 0.00 C ATOM 331 OG1 THR A 22 -5.527 -3.888 10.997 1.00 0.00 O ATOM 332 CG2 THR A 22 -3.453 -4.092 12.123 1.00 0.00 C ATOM 0 H THR A 22 -1.953 -2.634 9.414 1.00 0.00 H new ATOM 0 HA THR A 22 -2.730 -4.644 9.314 1.00 0.00 H new ATOM 0 HB THR A 22 -4.281 -5.529 10.788 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.521 -2.965 10.667 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.992 -4.451 13.000 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.470 -4.562 12.084 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.336 -3.010 12.187 1.00 0.00 H new ATOM 340 N GLN A 23 -4.670 -3.017 7.606 1.00 0.00 N ATOM 341 CA GLN A 23 -5.599 -3.136 6.497 1.00 0.00 C ATOM 342 C GLN A 23 -4.950 -3.850 5.318 1.00 0.00 C ATOM 343 O GLN A 23 -3.755 -3.701 5.068 1.00 0.00 O ATOM 344 CB GLN A 23 -6.229 -1.818 6.041 1.00 0.00 C ATOM 345 CG GLN A 23 -7.557 -1.999 5.324 1.00 0.00 C ATOM 346 CD GLN A 23 -8.134 -0.689 4.824 1.00 0.00 C ATOM 347 OE1 GLN A 23 -7.481 0.352 4.881 1.00 0.00 O ATOM 348 NE2 GLN A 23 -9.367 -0.733 4.327 1.00 0.00 N ATOM 0 H GLN A 23 -4.175 -2.129 7.683 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.424 -3.734 6.885 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.378 -1.176 6.909 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.534 -1.302 5.378 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.421 -2.677 4.481 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.270 -2.471 6.001 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.874 -1.618 4.298 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.806 0.118 3.975 1.00 0.00 H new ATOM 357 N ILE A 24 -5.745 -4.634 4.604 1.00 0.00 N ATOM 358 CA ILE A 24 -5.237 -5.381 3.458 1.00 0.00 C ATOM 359 C ILE A 24 -5.273 -4.530 2.199 1.00 0.00 C ATOM 360 O ILE A 24 -6.323 -4.024 1.805 1.00 0.00 O ATOM 361 CB ILE A 24 -6.008 -6.704 3.206 1.00 0.00 C ATOM 362 CG1 ILE A 24 -7.483 -6.602 3.615 1.00 0.00 C ATOM 363 CG2 ILE A 24 -5.337 -7.847 3.953 1.00 0.00 C ATOM 364 CD1 ILE A 24 -8.412 -6.278 2.469 1.00 0.00 C ATOM 0 H ILE A 24 -6.738 -4.770 4.794 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.207 -5.641 3.701 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.980 -6.899 2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.792 -7.545 4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.586 -5.834 4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.884 -8.772 3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.311 -7.958 3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.334 -7.631 5.021 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.437 -6.222 2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.131 -5.320 2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -8.340 -7.058 1.711 1.00 0.00 H new ATOM 376 N LEU A 25 -4.105 -4.361 1.580 1.00 0.00 N ATOM 377 CA LEU A 25 -3.992 -3.551 0.373 1.00 0.00 C ATOM 378 C LEU A 25 -3.736 -4.401 -0.866 1.00 0.00 C ATOM 379 O LEU A 25 -3.059 -5.431 -0.794 1.00 0.00 O ATOM 380 CB LEU A 25 -2.878 -2.516 0.530 1.00 0.00 C ATOM 381 CG LEU A 25 -2.921 -1.719 1.834 1.00 0.00 C ATOM 382 CD1 LEU A 25 -1.547 -1.168 2.166 1.00 0.00 C ATOM 383 CD2 LEU A 25 -3.943 -0.596 1.740 1.00 0.00 C ATOM 0 H LEU A 25 -3.227 -4.774 1.895 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.946 -3.043 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.917 -3.025 0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.928 -1.819 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.224 -2.389 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.597 -0.604 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.842 -1.992 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.214 -0.512 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.960 -0.040 2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.672 0.075 0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.930 -1.017 1.551 1.00 0.00 H new ATOM 395 N LYS A 26 -4.287 -3.978 -1.997 1.00 0.00 N ATOM 396 CA LYS A 26 -4.136 -4.695 -3.261 1.00 0.00 C ATOM 397 C LYS A 26 -2.852 -4.275 -3.965 1.00 0.00 C ATOM 398 O LYS A 26 -2.805 -3.246 -4.632 1.00 0.00 O ATOM 399 CB LYS A 26 -5.309 -4.323 -4.169 1.00 0.00 C ATOM 400 CG LYS A 26 -6.476 -5.287 -4.069 1.00 0.00 C ATOM 401 CD LYS A 26 -7.279 -5.044 -2.804 1.00 0.00 C ATOM 402 CE LYS A 26 -8.689 -5.594 -2.928 1.00 0.00 C ATOM 403 NZ LYS A 26 -9.569 -5.111 -1.828 1.00 0.00 N ATOM 0 H LYS A 26 -4.850 -3.130 -2.066 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.107 -5.766 -3.059 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.652 -3.320 -3.914 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.963 -4.289 -5.202 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.121 -5.174 -4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.106 -6.312 -4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.777 -5.513 -1.957 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.321 -3.975 -2.598 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.112 -5.298 -3.888 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.657 -6.683 -2.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.523 -5.508 -1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.179 -5.415 -0.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.620 -4.073 -1.855 1.00 0.00 H new ATOM 417 N ILE A 27 -1.822 -5.093 -3.822 1.00 0.00 N ATOM 418 CA ILE A 27 -0.547 -4.785 -4.453 1.00 0.00 C ATOM 419 C ILE A 27 -0.586 -5.155 -5.934 1.00 0.00 C ATOM 420 O ILE A 27 -1.130 -6.196 -6.298 1.00 0.00 O ATOM 421 CB ILE A 27 0.616 -5.514 -3.743 1.00 0.00 C ATOM 422 CG1 ILE A 27 1.914 -4.743 -3.957 1.00 0.00 C ATOM 423 CG2 ILE A 27 0.764 -6.950 -4.211 1.00 0.00 C ATOM 424 CD1 ILE A 27 2.248 -3.821 -2.808 1.00 0.00 C ATOM 0 H ILE A 27 -1.840 -5.960 -3.285 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.374 -3.712 -4.364 1.00 0.00 H new ATOM 0 HB ILE A 27 0.386 -5.550 -2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.731 -5.450 -4.098 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.836 -4.159 -4.874 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.594 -7.421 -3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.155 -7.497 -4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.960 -6.965 -5.283 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.182 -3.300 -3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.447 -3.093 -2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.356 -4.404 -1.893 1.00 0.00 H new ATOM 436 N LEU A 28 -0.106 -4.261 -6.798 1.00 0.00 N ATOM 437 CA LEU A 28 -0.184 -4.528 -8.233 1.00 0.00 C ATOM 438 C LEU A 28 0.967 -3.946 -9.049 1.00 0.00 C ATOM 439 O LEU A 28 1.245 -4.448 -10.139 1.00 0.00 O ATOM 440 CB LEU A 28 -1.510 -4.021 -8.796 1.00 0.00 C ATOM 441 CG LEU A 28 -1.712 -2.509 -8.711 1.00 0.00 C ATOM 442 CD1 LEU A 28 -1.541 -1.866 -10.082 1.00 0.00 C ATOM 443 CD2 LEU A 28 -3.079 -2.187 -8.130 1.00 0.00 C ATOM 0 H LEU A 28 0.327 -3.374 -6.541 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.111 -5.611 -8.328 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.584 -4.324 -9.840 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.325 -4.512 -8.264 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.953 -2.096 -8.047 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.689 -0.789 -10.000 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.537 -2.067 -10.455 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.275 -2.281 -10.773 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.206 -1.106 -8.077 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.854 -2.613 -8.767 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.158 -2.612 -7.129 1.00 0.00 H new ATOM 455 N ASN A 29 1.685 -2.945 -8.539 1.00 0.00 N ATOM 456 CA ASN A 29 2.827 -2.449 -9.301 1.00 0.00 C ATOM 457 C ASN A 29 3.934 -1.963 -8.398 1.00 0.00 C ATOM 458 O ASN A 29 3.901 -0.883 -7.805 1.00 0.00 O ATOM 459 CB ASN A 29 2.357 -1.339 -10.252 1.00 0.00 C ATOM 460 CG ASN A 29 3.499 -0.599 -10.924 1.00 0.00 C ATOM 461 OD1 ASN A 29 3.776 -0.797 -12.108 1.00 0.00 O ATOM 462 ND2 ASN A 29 4.160 0.267 -10.167 1.00 0.00 N ATOM 0 H ASN A 29 1.509 -2.482 -7.647 1.00 0.00 H new ATOM 0 HA ASN A 29 3.241 -3.271 -9.885 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.715 -1.774 -11.018 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.750 -0.626 -9.695 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.934 0.802 -10.561 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.895 0.398 -9.191 1.00 0.00 H new ATOM 469 N MET A 30 4.958 -2.800 -8.416 1.00 0.00 N ATOM 470 CA MET A 30 6.206 -2.629 -7.736 1.00 0.00 C ATOM 471 C MET A 30 7.370 -2.803 -8.684 1.00 0.00 C ATOM 472 O MET A 30 7.504 -3.870 -9.278 1.00 0.00 O ATOM 473 CB MET A 30 6.319 -3.627 -6.586 1.00 0.00 C ATOM 474 CG MET A 30 6.318 -5.086 -7.019 1.00 0.00 C ATOM 475 SD MET A 30 7.257 -6.136 -5.892 1.00 0.00 S ATOM 476 CE MET A 30 5.998 -7.300 -5.378 1.00 0.00 C ATOM 0 H MET A 30 4.925 -3.671 -8.945 1.00 0.00 H new ATOM 0 HA MET A 30 6.237 -1.615 -7.337 1.00 0.00 H new ATOM 0 HB2 MET A 30 7.237 -3.425 -6.034 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.490 -3.464 -5.897 1.00 0.00 H new ATOM 0 HG2 MET A 30 5.290 -5.445 -7.075 1.00 0.00 H new ATOM 0 HG3 MET A 30 6.739 -5.165 -8.021 1.00 0.00 H new ATOM 0 HE1 MET A 30 6.428 -8.015 -4.677 1.00 0.00 H new ATOM 0 HE2 MET A 30 5.182 -6.763 -4.894 1.00 0.00 H new ATOM 0 HE3 MET A 30 5.616 -7.831 -6.250 1.00 0.00 H new ATOM 486 N GLU A 31 8.297 -1.867 -8.688 1.00 0.00 N ATOM 487 CA GLU A 31 9.549 -2.061 -9.432 1.00 0.00 C ATOM 488 C GLU A 31 10.371 -0.823 -9.764 1.00 0.00 C ATOM 489 O GLU A 31 11.569 -0.764 -9.497 1.00 0.00 O ATOM 490 CB GLU A 31 9.455 -3.009 -10.638 1.00 0.00 C ATOM 491 CG GLU A 31 10.759 -3.704 -10.985 1.00 0.00 C ATOM 492 CD GLU A 31 10.784 -5.144 -10.516 1.00 0.00 C ATOM 493 OE1 GLU A 31 10.650 -5.373 -9.296 1.00 0.00 O ATOM 494 OE2 GLU A 31 10.931 -6.043 -11.370 1.00 0.00 O ATOM 0 H GLU A 31 8.221 -0.976 -8.198 1.00 0.00 H new ATOM 0 HA GLU A 31 10.128 -2.570 -8.662 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.696 -3.765 -10.434 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.116 -2.443 -11.506 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.909 -3.673 -12.064 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.589 -3.162 -10.532 1.00 0.00 H new ATOM 501 N ASP A 32 9.691 0.174 -10.318 1.00 0.00 N ATOM 502 CA ASP A 32 10.349 1.430 -10.662 1.00 0.00 C ATOM 503 C ASP A 32 10.609 2.231 -9.398 1.00 0.00 C ATOM 504 O ASP A 32 11.239 3.289 -9.427 1.00 0.00 O ATOM 505 CB ASP A 32 9.500 2.270 -11.623 1.00 0.00 C ATOM 506 CG ASP A 32 9.953 2.146 -13.065 1.00 0.00 C ATOM 507 OD1 ASP A 32 10.126 1.004 -13.540 1.00 0.00 O ATOM 508 OD2 ASP A 32 10.133 3.194 -13.721 1.00 0.00 O ATOM 0 H ASP A 32 8.695 0.139 -10.537 1.00 0.00 H new ATOM 0 HA ASP A 32 11.288 1.188 -11.159 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.458 1.960 -11.546 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.545 3.316 -11.321 1.00 0.00 H new ATOM 513 N ASP A 33 10.038 1.745 -8.304 1.00 0.00 N ATOM 514 CA ASP A 33 10.150 2.405 -7.028 1.00 0.00 C ATOM 515 C ASP A 33 10.258 1.376 -5.916 1.00 0.00 C ATOM 516 O ASP A 33 9.252 1.026 -5.297 1.00 0.00 O ATOM 517 CB ASP A 33 8.935 3.303 -6.784 1.00 0.00 C ATOM 518 CG ASP A 33 9.253 4.771 -6.983 1.00 0.00 C ATOM 519 OD1 ASP A 33 9.764 5.400 -6.032 1.00 0.00 O ATOM 520 OD2 ASP A 33 8.991 5.293 -8.087 1.00 0.00 O ATOM 0 H ASP A 33 9.489 0.886 -8.285 1.00 0.00 H new ATOM 0 HA ASP A 33 11.049 3.021 -7.035 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.131 3.013 -7.460 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.570 3.147 -5.769 1.00 0.00 H new ATOM 525 N SER A 34 11.464 0.861 -5.684 1.00 0.00 N ATOM 526 CA SER A 34 11.686 -0.170 -4.672 1.00 0.00 C ATOM 527 C SER A 34 11.299 0.304 -3.273 1.00 0.00 C ATOM 528 O SER A 34 11.908 -0.136 -2.299 1.00 0.00 O ATOM 529 CB SER A 34 13.159 -0.595 -4.685 1.00 0.00 C ATOM 530 OG SER A 34 13.299 -1.944 -5.097 1.00 0.00 O ATOM 0 H SER A 34 12.306 1.143 -6.186 1.00 0.00 H new ATOM 0 HA SER A 34 11.048 -1.018 -4.919 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.722 0.053 -5.357 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.585 -0.470 -3.690 1.00 0.00 H new ATOM 0 HG SER A 34 14.248 -2.189 -5.098 1.00 0.00 H new ATOM 536 N ASN A 35 10.385 1.260 -3.147 1.00 0.00 N ATOM 537 CA ASN A 35 10.064 1.789 -1.819 1.00 0.00 C ATOM 538 C ASN A 35 8.588 2.148 -1.654 1.00 0.00 C ATOM 539 O ASN A 35 8.044 2.091 -0.555 1.00 0.00 O ATOM 540 CB ASN A 35 10.925 3.027 -1.546 1.00 0.00 C ATOM 541 CG ASN A 35 12.053 2.758 -0.566 1.00 0.00 C ATOM 542 OD1 ASN A 35 12.095 3.340 0.518 1.00 0.00 O ATOM 543 ND2 ASN A 35 12.976 1.880 -0.941 1.00 0.00 N ATOM 0 H ASN A 35 9.865 1.676 -3.920 1.00 0.00 H new ATOM 0 HA ASN A 35 10.279 0.999 -1.100 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.345 3.386 -2.486 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.293 3.824 -1.155 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.758 1.666 -0.322 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.903 1.420 -1.848 1.00 0.00 H new ATOM 550 N TRP A 36 7.945 2.514 -2.746 1.00 0.00 N ATOM 551 CA TRP A 36 6.531 2.852 -2.716 1.00 0.00 C ATOM 552 C TRP A 36 5.818 2.006 -3.751 1.00 0.00 C ATOM 553 O TRP A 36 6.187 2.019 -4.924 1.00 0.00 O ATOM 554 CB TRP A 36 6.320 4.346 -2.988 1.00 0.00 C ATOM 555 CG TRP A 36 7.200 5.217 -2.147 1.00 0.00 C ATOM 556 CD1 TRP A 36 8.521 5.483 -2.361 1.00 0.00 C ATOM 557 CD2 TRP A 36 6.836 5.924 -0.951 1.00 0.00 C ATOM 558 NE1 TRP A 36 9.002 6.310 -1.378 1.00 0.00 N ATOM 559 CE2 TRP A 36 7.988 6.595 -0.500 1.00 0.00 C ATOM 560 CE3 TRP A 36 5.650 6.059 -0.217 1.00 0.00 C ATOM 561 CZ2 TRP A 36 7.990 7.382 0.649 1.00 0.00 C ATOM 562 CZ3 TRP A 36 5.658 6.843 0.928 1.00 0.00 C ATOM 563 CH2 TRP A 36 6.821 7.494 1.347 1.00 0.00 C ATOM 0 H TRP A 36 8.378 2.586 -3.667 1.00 0.00 H new ATOM 0 HA TRP A 36 6.122 2.646 -1.727 1.00 0.00 H new ATOM 0 HB2 TRP A 36 6.514 4.550 -4.041 1.00 0.00 H new ATOM 0 HB3 TRP A 36 5.277 4.601 -2.800 1.00 0.00 H new ATOM 0 HD1 TRP A 36 9.104 5.098 -3.185 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.959 6.657 -1.311 1.00 0.00 H new ATOM 0 HE3 TRP A 36 4.746 5.562 -0.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 8.886 7.887 0.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.751 6.952 1.504 1.00 0.00 H new ATOM 0 HH2 TRP A 36 6.795 8.099 2.242 1.00 0.00 H new ATOM 574 N TYR A 37 4.856 1.201 -3.313 1.00 0.00 N ATOM 575 CA TYR A 37 4.178 0.294 -4.237 1.00 0.00 C ATOM 576 C TYR A 37 2.856 0.869 -4.707 1.00 0.00 C ATOM 577 O TYR A 37 2.290 1.749 -4.064 1.00 0.00 O ATOM 578 CB TYR A 37 3.964 -1.093 -3.610 1.00 0.00 C ATOM 579 CG TYR A 37 5.246 -1.840 -3.284 1.00 0.00 C ATOM 580 CD1 TYR A 37 6.303 -1.225 -2.620 1.00 0.00 C ATOM 581 CD2 TYR A 37 5.388 -3.175 -3.638 1.00 0.00 C ATOM 582 CE1 TYR A 37 7.462 -1.922 -2.326 1.00 0.00 C ATOM 583 CE2 TYR A 37 6.539 -3.876 -3.346 1.00 0.00 C ATOM 584 CZ TYR A 37 7.574 -3.247 -2.692 1.00 0.00 C ATOM 585 OH TYR A 37 8.723 -3.944 -2.402 1.00 0.00 O ATOM 0 H TYR A 37 4.532 1.156 -2.347 1.00 0.00 H new ATOM 0 HA TYR A 37 4.828 0.178 -5.104 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.382 -0.979 -2.695 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.369 -1.699 -4.293 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.218 -0.188 -2.330 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.581 -3.675 -4.153 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.275 -1.431 -1.812 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.628 -4.914 -3.629 1.00 0.00 H new ATOM 0 HH TYR A 37 8.638 -4.865 -2.727 1.00 0.00 H new ATOM 595 N ARG A 38 2.429 0.456 -5.892 1.00 0.00 N ATOM 596 CA ARG A 38 1.183 0.938 -6.456 1.00 0.00 C ATOM 597 C ARG A 38 0.144 -0.107 -6.092 1.00 0.00 C ATOM 598 O ARG A 38 0.091 -1.178 -6.689 1.00 0.00 O ATOM 599 CB ARG A 38 1.277 1.119 -7.973 1.00 0.00 C ATOM 600 CG ARG A 38 0.979 2.535 -8.439 1.00 0.00 C ATOM 601 CD ARG A 38 1.971 2.996 -9.493 1.00 0.00 C ATOM 602 NE ARG A 38 1.635 4.319 -10.008 1.00 0.00 N ATOM 603 CZ ARG A 38 1.900 4.725 -11.247 1.00 0.00 C ATOM 604 NH1 ARG A 38 2.519 3.918 -12.102 1.00 0.00 N ATOM 605 NH2 ARG A 38 1.545 5.945 -11.632 1.00 0.00 N ATOM 0 H ARG A 38 2.929 -0.212 -6.479 1.00 0.00 H new ATOM 0 HA ARG A 38 0.926 1.921 -6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.278 0.841 -8.302 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.581 0.433 -8.456 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.032 2.580 -8.845 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.011 3.214 -7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.973 3.016 -9.065 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.989 2.279 -10.314 1.00 0.00 H new ATOM 0 HE ARG A 38 1.168 4.973 -9.380 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.794 2.980 -11.810 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.719 4.236 -13.050 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.071 6.568 -10.979 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.747 6.259 -12.581 1.00 0.00 H new ATOM 619 N ALA A 39 -0.669 0.203 -5.096 1.00 0.00 N ATOM 620 CA ALA A 39 -1.699 -0.715 -4.643 1.00 0.00 C ATOM 621 C ALA A 39 -3.081 -0.207 -5.024 1.00 0.00 C ATOM 622 O ALA A 39 -3.241 0.922 -5.487 1.00 0.00 O ATOM 623 CB ALA A 39 -1.589 -0.923 -3.141 1.00 0.00 C ATOM 0 H ALA A 39 -0.635 1.085 -4.585 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.552 -1.676 -5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.366 -1.613 -2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.610 -1.338 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.712 0.033 -2.631 1.00 0.00 H new ATOM 629 N GLU A 40 -4.075 -1.058 -4.826 1.00 0.00 N ATOM 630 CA GLU A 40 -5.442 -0.695 -5.155 1.00 0.00 C ATOM 631 C GLU A 40 -6.338 -0.760 -3.933 1.00 0.00 C ATOM 632 O GLU A 40 -6.087 -1.523 -3.002 1.00 0.00 O ATOM 633 CB GLU A 40 -5.993 -1.598 -6.262 1.00 0.00 C ATOM 634 CG GLU A 40 -6.067 -0.909 -7.616 1.00 0.00 C ATOM 635 CD GLU A 40 -6.968 -1.631 -8.597 1.00 0.00 C ATOM 636 OE1 GLU A 40 -6.730 -2.831 -8.849 1.00 0.00 O ATOM 637 OE2 GLU A 40 -7.908 -0.995 -9.117 1.00 0.00 O ATOM 0 H GLU A 40 -3.962 -1.996 -4.443 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.431 0.334 -5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.364 -2.484 -6.346 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.989 -1.940 -5.981 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.429 0.110 -7.480 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.064 -0.837 -8.037 1.00 0.00 H new ATOM 644 N LEU A 41 -7.341 0.101 -3.907 1.00 0.00 N ATOM 645 CA LEU A 41 -8.246 0.179 -2.779 1.00 0.00 C ATOM 646 C LEU A 41 -9.535 0.874 -3.195 1.00 0.00 C ATOM 647 O LEU A 41 -9.502 1.944 -3.803 1.00 0.00 O ATOM 648 CB LEU A 41 -7.573 0.933 -1.632 1.00 0.00 C ATOM 649 CG LEU A 41 -8.371 0.992 -0.329 1.00 0.00 C ATOM 650 CD1 LEU A 41 -7.688 0.172 0.755 1.00 0.00 C ATOM 651 CD2 LEU A 41 -8.537 2.435 0.120 1.00 0.00 C ATOM 0 H LEU A 41 -7.548 0.758 -4.659 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.491 -0.827 -2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.610 0.465 -1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.369 1.952 -1.960 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.358 0.566 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.271 0.227 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.614 -0.867 0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.689 0.568 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.107 2.464 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.556 2.881 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.068 2.997 -0.649 1.00 0.00 H new ATOM 663 N ASP A 42 -10.671 0.273 -2.864 1.00 0.00 N ATOM 664 CA ASP A 42 -11.972 0.848 -3.201 1.00 0.00 C ATOM 665 C ASP A 42 -12.066 1.272 -4.674 1.00 0.00 C ATOM 666 O ASP A 42 -13.001 1.976 -5.057 1.00 0.00 O ATOM 667 CB ASP A 42 -12.247 2.057 -2.306 1.00 0.00 C ATOM 668 CG ASP A 42 -13.465 1.868 -1.425 1.00 0.00 C ATOM 669 OD1 ASP A 42 -14.595 1.982 -1.943 1.00 0.00 O ATOM 670 OD2 ASP A 42 -13.287 1.611 -0.216 1.00 0.00 O ATOM 0 H ASP A 42 -10.720 -0.614 -2.362 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.720 0.072 -3.036 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.376 2.245 -1.679 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.388 2.940 -2.929 1.00 0.00 H new ATOM 675 N GLY A 43 -11.122 0.828 -5.503 1.00 0.00 N ATOM 676 CA GLY A 43 -11.152 1.180 -6.913 1.00 0.00 C ATOM 677 C GLY A 43 -10.139 2.256 -7.270 1.00 0.00 C ATOM 678 O GLY A 43 -10.375 3.038 -8.193 1.00 0.00 O ATOM 0 H GLY A 43 -10.341 0.234 -5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.956 0.289 -7.510 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.152 1.526 -7.176 1.00 0.00 H new ATOM 682 N LYS A 44 -9.056 2.369 -6.505 1.00 0.00 N ATOM 683 CA LYS A 44 -8.067 3.419 -6.752 1.00 0.00 C ATOM 684 C LYS A 44 -6.657 2.844 -6.777 1.00 0.00 C ATOM 685 O LYS A 44 -6.304 2.019 -5.941 1.00 0.00 O ATOM 686 CB LYS A 44 -8.144 4.469 -5.646 1.00 0.00 C ATOM 687 CG LYS A 44 -7.527 5.801 -6.032 1.00 0.00 C ATOM 688 CD LYS A 44 -8.592 6.832 -6.362 1.00 0.00 C ATOM 689 CE LYS A 44 -8.000 8.225 -6.479 1.00 0.00 C ATOM 690 NZ LYS A 44 -9.054 9.274 -6.502 1.00 0.00 N ATOM 0 H LYS A 44 -8.841 1.756 -5.719 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.287 3.869 -7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.189 4.626 -5.377 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.640 4.088 -4.758 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.906 6.166 -5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.872 5.664 -6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.082 6.564 -7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.359 6.825 -5.587 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.327 8.405 -5.641 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.402 8.291 -7.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.610 10.211 -6.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.682 9.117 -7.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.608 9.228 -5.623 1.00 0.00 H new ATOM 704 N GLU A 45 -5.836 3.331 -7.706 1.00 0.00 N ATOM 705 CA GLU A 45 -4.444 2.900 -7.788 1.00 0.00 C ATOM 706 C GLU A 45 -3.542 3.965 -7.165 1.00 0.00 C ATOM 707 O GLU A 45 -3.375 5.038 -7.747 1.00 0.00 O ATOM 708 CB GLU A 45 -4.022 2.636 -9.240 1.00 0.00 C ATOM 709 CG GLU A 45 -2.533 2.340 -9.407 1.00 0.00 C ATOM 710 CD GLU A 45 -1.868 3.262 -10.410 1.00 0.00 C ATOM 711 OE1 GLU A 45 -2.065 3.056 -11.626 1.00 0.00 O ATOM 712 OE2 GLU A 45 -1.150 4.190 -9.981 1.00 0.00 O ATOM 0 H GLU A 45 -6.109 4.019 -8.407 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.343 1.964 -7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.596 1.794 -9.627 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.280 3.504 -9.847 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.036 2.438 -8.442 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.405 1.306 -9.728 1.00 0.00 H new ATOM 719 N GLY A 46 -3.009 3.719 -5.971 1.00 0.00 N ATOM 720 CA GLY A 46 -2.187 4.740 -5.337 1.00 0.00 C ATOM 721 C GLY A 46 -0.967 4.204 -4.615 1.00 0.00 C ATOM 722 O GLY A 46 -1.004 3.126 -4.021 1.00 0.00 O ATOM 0 H GLY A 46 -3.126 2.855 -5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.861 5.450 -6.097 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.801 5.293 -4.626 1.00 0.00 H new ATOM 726 N LEU A 47 0.116 4.974 -4.669 1.00 0.00 N ATOM 727 CA LEU A 47 1.378 4.612 -4.038 1.00 0.00 C ATOM 728 C LEU A 47 1.227 4.457 -2.525 1.00 0.00 C ATOM 729 O LEU A 47 0.419 5.146 -1.900 1.00 0.00 O ATOM 730 CB LEU A 47 2.413 5.699 -4.350 1.00 0.00 C ATOM 731 CG LEU A 47 3.652 5.219 -5.110 1.00 0.00 C ATOM 732 CD1 LEU A 47 3.340 5.044 -6.587 1.00 0.00 C ATOM 733 CD2 LEU A 47 4.803 6.196 -4.926 1.00 0.00 C ATOM 0 H LEU A 47 0.141 5.871 -5.154 1.00 0.00 H new ATOM 0 HA LEU A 47 1.704 3.650 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.929 6.482 -4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.734 6.152 -3.412 1.00 0.00 H new ATOM 0 HG LEU A 47 3.949 4.252 -4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.233 4.702 -7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.546 4.307 -6.706 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.017 5.997 -7.006 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.675 5.838 -5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.513 7.176 -5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.047 6.275 -3.867 1.00 0.00 H new ATOM 745 N ILE A 48 2.005 3.549 -1.942 1.00 0.00 N ATOM 746 CA ILE A 48 1.943 3.317 -0.502 1.00 0.00 C ATOM 747 C ILE A 48 3.316 2.999 0.096 1.00 0.00 C ATOM 748 O ILE A 48 3.861 1.909 -0.143 1.00 0.00 O ATOM 749 CB ILE A 48 0.957 2.179 -0.122 1.00 0.00 C ATOM 750 CG1 ILE A 48 0.602 1.313 -1.333 1.00 0.00 C ATOM 751 CG2 ILE A 48 -0.299 2.759 0.509 1.00 0.00 C ATOM 752 CD1 ILE A 48 1.601 0.211 -1.586 1.00 0.00 C ATOM 0 H ILE A 48 2.680 2.967 -2.439 1.00 0.00 H new ATOM 0 HA ILE A 48 1.578 4.254 -0.081 1.00 0.00 H new ATOM 0 HB ILE A 48 1.453 1.536 0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.384 0.874 -1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.536 1.946 -2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.982 1.950 0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.032 3.313 1.409 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.786 3.430 -0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.293 -0.367 -2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.584 0.646 -1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.649 -0.443 -0.716 1.00 0.00 H new ATOM 764 N PRO A 49 3.820 3.894 0.995 1.00 0.00 N ATOM 765 CA PRO A 49 5.083 3.720 1.712 1.00 0.00 C ATOM 766 C PRO A 49 5.447 2.242 1.954 1.00 0.00 C ATOM 767 O PRO A 49 4.572 1.413 2.205 1.00 0.00 O ATOM 768 CB PRO A 49 4.852 4.416 3.054 1.00 0.00 C ATOM 769 CG PRO A 49 3.626 5.270 2.878 1.00 0.00 C ATOM 770 CD PRO A 49 3.138 5.105 1.456 1.00 0.00 C ATOM 0 HA PRO A 49 5.911 4.129 1.133 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.707 3.687 3.851 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.713 5.024 3.331 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.850 4.972 3.583 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.858 6.315 3.082 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.054 4.995 1.414 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.395 5.968 0.842 1.00 0.00 H new ATOM 778 N SER A 50 6.730 1.915 1.813 1.00 0.00 N ATOM 779 CA SER A 50 7.220 0.541 1.998 1.00 0.00 C ATOM 780 C SER A 50 7.238 0.103 3.464 1.00 0.00 C ATOM 781 O SER A 50 6.878 -1.026 3.787 1.00 0.00 O ATOM 782 CB SER A 50 8.633 0.395 1.433 1.00 0.00 C ATOM 783 OG SER A 50 9.502 1.373 1.976 1.00 0.00 O ATOM 0 H SER A 50 7.459 2.586 1.569 1.00 0.00 H new ATOM 0 HA SER A 50 6.521 -0.100 1.461 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.016 -0.601 1.656 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.606 0.490 0.348 1.00 0.00 H new ATOM 0 HG SER A 50 10.400 1.258 1.600 1.00 0.00 H new ATOM 789 N ASN A 51 7.724 0.976 4.334 1.00 0.00 N ATOM 790 CA ASN A 51 7.872 0.644 5.754 1.00 0.00 C ATOM 791 C ASN A 51 6.549 0.461 6.504 1.00 0.00 C ATOM 792 O ASN A 51 6.526 -0.168 7.561 1.00 0.00 O ATOM 793 CB ASN A 51 8.682 1.739 6.450 1.00 0.00 C ATOM 794 CG ASN A 51 10.156 1.399 6.548 1.00 0.00 C ATOM 795 OD1 ASN A 51 10.902 1.530 5.578 1.00 0.00 O ATOM 796 ND2 ASN A 51 10.583 0.956 7.726 1.00 0.00 N ATOM 0 H ASN A 51 8.024 1.919 4.088 1.00 0.00 H new ATOM 0 HA ASN A 51 8.381 -0.319 5.782 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.564 2.675 5.905 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.283 1.901 7.451 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.565 0.709 7.853 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.929 0.863 8.503 1.00 0.00 H new ATOM 803 N TYR A 52 5.450 0.961 5.955 1.00 0.00 N ATOM 804 CA TYR A 52 4.148 0.802 6.603 1.00 0.00 C ATOM 805 C TYR A 52 3.435 -0.458 6.095 1.00 0.00 C ATOM 806 O TYR A 52 2.580 -1.057 6.794 1.00 0.00 O ATOM 807 CB TYR A 52 3.275 2.037 6.337 1.00 0.00 C ATOM 808 CG TYR A 52 3.800 3.309 6.981 1.00 0.00 C ATOM 809 CD1 TYR A 52 5.124 3.706 6.822 1.00 0.00 C ATOM 810 CD2 TYR A 52 2.969 4.113 7.751 1.00 0.00 C ATOM 811 CE1 TYR A 52 5.601 4.863 7.411 1.00 0.00 C ATOM 812 CE2 TYR A 52 3.439 5.271 8.344 1.00 0.00 C ATOM 813 CZ TYR A 52 4.754 5.640 8.171 1.00 0.00 C ATOM 814 OH TYR A 52 5.227 6.794 8.760 1.00 0.00 O ATOM 0 H TYR A 52 5.429 1.474 5.074 1.00 0.00 H new ATOM 0 HA TYR A 52 4.310 0.698 7.676 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.198 2.191 5.261 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.267 1.844 6.704 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.792 3.100 6.228 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.936 3.829 7.889 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.632 5.156 7.276 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.778 5.883 8.940 1.00 0.00 H new ATOM 0 HH TYR A 52 4.503 7.226 9.260 1.00 0.00 H new ATOM 824 N ILE A 53 3.919 -0.959 4.957 1.00 0.00 N ATOM 825 CA ILE A 53 3.398 -2.175 4.363 1.00 0.00 C ATOM 826 C ILE A 53 4.467 -3.245 4.204 1.00 0.00 C ATOM 827 O ILE A 53 5.663 -2.965 4.181 1.00 0.00 O ATOM 828 CB ILE A 53 2.828 -1.889 2.947 1.00 0.00 C ATOM 829 CG1 ILE A 53 3.964 -1.830 1.919 1.00 0.00 C ATOM 830 CG2 ILE A 53 2.047 -0.578 2.915 1.00 0.00 C ATOM 831 CD1 ILE A 53 4.218 -3.150 1.227 1.00 0.00 C ATOM 0 H ILE A 53 4.679 -0.530 4.429 1.00 0.00 H new ATOM 0 HA ILE A 53 2.622 -2.531 5.040 1.00 0.00 H new ATOM 0 HB ILE A 53 2.148 -2.703 2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.727 -1.075 1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.878 -1.508 2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.662 -0.408 1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.215 -0.633 3.618 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.705 0.245 3.195 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.034 -3.036 0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.486 -3.903 1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.317 -3.464 0.700 1.00 0.00 H new ATOM 843 N GLU A 54 3.996 -4.485 4.097 1.00 0.00 N ATOM 844 CA GLU A 54 4.833 -5.662 3.936 1.00 0.00 C ATOM 845 C GLU A 54 4.139 -6.683 3.038 1.00 0.00 C ATOM 846 O GLU A 54 2.941 -6.934 3.198 1.00 0.00 O ATOM 847 CB GLU A 54 5.069 -6.312 5.296 1.00 0.00 C ATOM 848 CG GLU A 54 6.459 -6.894 5.488 1.00 0.00 C ATOM 849 CD GLU A 54 7.502 -5.833 5.777 1.00 0.00 C ATOM 850 OE1 GLU A 54 7.250 -4.974 6.648 1.00 0.00 O ATOM 851 OE2 GLU A 54 8.574 -5.864 5.136 1.00 0.00 O ATOM 0 H GLU A 54 2.999 -4.700 4.121 1.00 0.00 H new ATOM 0 HA GLU A 54 5.778 -5.354 3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.890 -5.570 6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.335 -7.105 5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.438 -7.611 6.309 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.745 -7.444 4.592 1.00 0.00 H new ATOM 858 N MET A 55 4.889 -7.341 2.165 1.00 0.00 N ATOM 859 CA MET A 55 4.308 -8.346 1.284 1.00 0.00 C ATOM 860 C MET A 55 3.558 -9.408 2.080 1.00 0.00 C ATOM 861 O MET A 55 4.138 -10.146 2.876 1.00 0.00 O ATOM 862 CB MET A 55 5.406 -8.971 0.426 1.00 0.00 C ATOM 863 CG MET A 55 4.886 -9.868 -0.681 1.00 0.00 C ATOM 864 SD MET A 55 4.403 -8.938 -2.147 1.00 0.00 S ATOM 865 CE MET A 55 2.683 -9.409 -2.291 1.00 0.00 C ATOM 0 H MET A 55 5.892 -7.199 2.048 1.00 0.00 H new ATOM 0 HA MET A 55 3.583 -7.863 0.629 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.005 -8.175 -0.016 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.070 -9.550 1.068 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.655 -10.592 -0.950 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.030 -10.434 -0.314 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.402 -9.442 -3.344 1.00 0.00 H new ATOM 0 HE2 MET A 55 2.537 -10.393 -1.845 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.061 -8.679 -1.772 1.00 0.00 H new ATOM 875 N LYS A 56 2.255 -9.493 1.812 1.00 0.00 N ATOM 876 CA LYS A 56 1.372 -10.461 2.450 1.00 0.00 C ATOM 877 C LYS A 56 1.381 -11.764 1.674 1.00 0.00 C ATOM 878 O LYS A 56 2.245 -11.997 0.831 1.00 0.00 O ATOM 879 CB LYS A 56 -0.077 -9.952 2.545 1.00 0.00 C ATOM 880 CG LYS A 56 -0.908 -10.583 3.654 1.00 0.00 C ATOM 881 CD LYS A 56 -2.217 -11.140 3.108 1.00 0.00 C ATOM 882 CE LYS A 56 -3.066 -11.767 4.202 1.00 0.00 C ATOM 883 NZ LYS A 56 -4.023 -10.790 4.785 1.00 0.00 N ATOM 0 H LYS A 56 1.782 -8.887 1.141 1.00 0.00 H new ATOM 0 HA LYS A 56 1.748 -10.616 3.461 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.058 -8.872 2.695 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.573 -10.133 1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.339 -11.382 4.129 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.118 -9.840 4.423 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.779 -10.340 2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.003 -11.886 2.342 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.616 -12.616 3.794 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.418 -12.155 4.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.412 -11.171 5.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.530 -9.895 4.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.797 -10.619 4.112 1.00 0.00 H new ATOM 897 N ASN A 57 0.385 -12.591 1.943 1.00 0.00 N ATOM 898 CA ASN A 57 0.242 -13.872 1.278 1.00 0.00 C ATOM 899 C ASN A 57 1.275 -14.817 1.866 1.00 0.00 C ATOM 900 O ASN A 57 0.963 -15.530 2.818 1.00 0.00 O ATOM 901 CB ASN A 57 0.384 -13.708 -0.237 1.00 0.00 C ATOM 902 CG ASN A 57 -0.904 -14.045 -0.956 1.00 0.00 C ATOM 903 OD1 ASN A 57 -1.686 -13.161 -1.305 1.00 0.00 O ATOM 904 ND2 ASN A 57 -1.133 -15.334 -1.173 1.00 0.00 N ATOM 0 H ASN A 57 -0.345 -12.393 2.627 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.751 -14.291 1.442 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.672 -12.682 -0.467 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.184 -14.353 -0.600 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.987 -15.627 -1.647 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.455 -16.031 -0.865 1.00 0.00 H new ATOM 911 N HIS A 58 2.464 -14.902 1.270 1.00 0.00 N ATOM 912 CA HIS A 58 3.473 -15.852 1.733 1.00 0.00 C ATOM 913 C HIS A 58 3.125 -17.224 1.170 1.00 0.00 C ATOM 914 O HIS A 58 3.804 -17.735 0.278 1.00 0.00 O ATOM 915 CB HIS A 58 3.522 -15.933 3.266 1.00 0.00 C ATOM 916 CG HIS A 58 4.785 -15.394 3.850 1.00 0.00 C ATOM 917 ND1 HIS A 58 6.003 -15.472 3.211 1.00 0.00 N ATOM 918 CD2 HIS A 58 5.015 -14.756 5.021 1.00 0.00 C ATOM 919 CE1 HIS A 58 6.929 -14.908 3.965 1.00 0.00 C ATOM 920 NE2 HIS A 58 6.355 -14.464 5.068 1.00 0.00 N ATOM 0 H HIS A 58 2.750 -14.331 0.474 1.00 0.00 H new ATOM 0 HA HIS A 58 4.452 -15.517 1.389 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.676 -15.383 3.678 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.405 -16.973 3.571 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.281 -14.521 5.777 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.978 -14.824 3.721 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.830 -13.982 5.831 1.00 0.00 H new ATOM 929 N ASP A 59 2.057 -17.816 1.700 1.00 0.00 N ATOM 930 CA ASP A 59 1.605 -19.129 1.255 1.00 0.00 C ATOM 931 C ASP A 59 2.767 -20.117 1.204 1.00 0.00 C ATOM 932 O ASP A 59 2.581 -21.221 0.652 1.00 0.00 O ATOM 933 CB ASP A 59 0.943 -19.019 -0.123 1.00 0.00 C ATOM 934 CG ASP A 59 -0.449 -19.623 -0.152 1.00 0.00 C ATOM 935 OD1 ASP A 59 -0.562 -20.859 -0.018 1.00 0.00 O ATOM 936 OD2 ASP A 59 -1.426 -18.860 -0.311 1.00 0.00 O ATOM 937 OXT ASP A 59 3.854 -19.777 1.721 1.00 0.00 O ATOM 0 H ASP A 59 1.488 -17.405 2.440 1.00 0.00 H new ATOM 0 HA ASP A 59 0.873 -19.501 1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.886 -17.969 -0.412 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.568 -19.519 -0.863 1.00 0.00 H new TER 942 ASP A 59