USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=10 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 1 MET N :NH3+ -146:sc= -0.195 (180deg=-1.02) USER MOD Set 1.2: A 57 ASN : amide:sc= -2.98! C(o=-3.2!,f=-11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-3!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : 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 180:sc= -0.489 USER MOD Single : A 23 GLN : amide:sc= -0.785 K(o=-0.78,f=-4.8!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.365 X(o=-0.37,f=0) 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= -0.219 K(o=-0.22,f=-2.1!) USER MOD Single : A 37 TYR OH : rot -88:sc= 1.42 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 112:sc= 0.109 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 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= -0.43 (180deg=-0.88) USER MOD Single : A 58 HIS : no HD1:sc= -0.699 K(o=-0.7,f=0.071) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.132 -10.063 -5.176 1.00 0.00 N ATOM 2 CA MET A 1 -1.586 -9.769 -5.280 1.00 0.00 C ATOM 3 C MET A 1 -2.127 -9.192 -3.984 1.00 0.00 C ATOM 4 O MET A 1 -3.043 -8.369 -3.988 1.00 0.00 O ATOM 5 CB MET A 1 -2.331 -11.060 -5.635 1.00 0.00 C ATOM 6 CG MET A 1 -1.917 -11.682 -6.962 1.00 0.00 C ATOM 7 SD MET A 1 -2.899 -11.079 -8.347 1.00 0.00 S ATOM 8 CE MET A 1 -1.658 -11.045 -9.637 1.00 0.00 C ATOM 0 H1 MET A 1 0.323 -9.895 -6.096 1.00 0.00 H new ATOM 0 H2 MET A 1 0.297 -9.444 -4.459 1.00 0.00 H new ATOM 0 H3 MET A 1 0.002 -11.057 -4.900 1.00 0.00 H new ATOM 0 HA MET A 1 -1.739 -9.024 -6.061 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.169 -11.788 -4.840 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.401 -10.852 -5.664 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.865 -11.467 -7.147 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.014 -12.766 -6.897 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.108 -10.692 -10.565 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.850 -10.374 -9.347 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.260 -12.049 -9.786 1.00 0.00 H new ATOM 20 N GLU A 2 -1.595 -9.666 -2.879 1.00 0.00 N ATOM 21 CA GLU A 2 -2.064 -9.219 -1.573 1.00 0.00 C ATOM 22 C GLU A 2 -0.925 -8.976 -0.578 1.00 0.00 C ATOM 23 O GLU A 2 0.003 -9.774 -0.451 1.00 0.00 O ATOM 24 CB GLU A 2 -3.083 -10.225 -1.038 1.00 0.00 C ATOM 25 CG GLU A 2 -4.223 -10.475 -2.007 1.00 0.00 C ATOM 26 CD GLU A 2 -5.334 -11.304 -1.402 1.00 0.00 C ATOM 27 OE1 GLU A 2 -5.164 -12.536 -1.298 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.377 -10.722 -1.036 1.00 0.00 O ATOM 0 H GLU A 2 -0.844 -10.355 -2.851 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.544 -8.248 -1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.579 -11.168 -0.825 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.487 -9.859 -0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -4.628 -9.519 -2.339 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.838 -10.982 -2.892 1.00 0.00 H new ATOM 35 N ALA A 3 -1.028 -7.842 0.115 1.00 0.00 N ATOM 36 CA ALA A 3 -0.073 -7.366 1.106 1.00 0.00 C ATOM 37 C ALA A 3 -0.792 -6.663 2.247 1.00 0.00 C ATOM 38 O ALA A 3 -1.755 -5.932 2.012 1.00 0.00 O ATOM 39 CB ALA A 3 0.908 -6.404 0.454 1.00 0.00 C ATOM 0 H ALA A 3 -1.815 -7.205 -0.007 1.00 0.00 H new ATOM 0 HA ALA A 3 0.467 -8.224 1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.621 -6.050 1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.443 -6.916 -0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.364 -5.555 0.040 1.00 0.00 H new ATOM 45 N ILE A 4 -0.288 -6.806 3.462 1.00 0.00 N ATOM 46 CA ILE A 4 -0.873 -6.127 4.609 1.00 0.00 C ATOM 47 C ILE A 4 0.003 -4.952 4.986 1.00 0.00 C ATOM 48 O ILE A 4 1.197 -4.960 4.688 1.00 0.00 O ATOM 49 CB ILE A 4 -1.038 -7.089 5.805 1.00 0.00 C ATOM 50 CG1 ILE A 4 -1.769 -6.388 6.951 1.00 0.00 C ATOM 51 CG2 ILE A 4 0.315 -7.605 6.278 1.00 0.00 C ATOM 52 CD1 ILE A 4 -2.273 -7.332 8.024 1.00 0.00 C ATOM 0 H ILE A 4 0.523 -7.385 3.680 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.867 -5.771 4.341 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.632 -7.942 5.478 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.097 -5.660 7.407 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.613 -5.831 6.544 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.172 -8.281 7.121 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.806 -8.139 5.464 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.937 -6.765 6.588 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.780 -6.761 8.802 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.971 -8.044 7.584 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.431 -7.871 8.459 1.00 0.00 H new ATOM 64 N ALA A 5 -0.550 -3.963 5.669 1.00 0.00 N ATOM 65 CA ALA A 5 0.250 -2.808 6.040 1.00 0.00 C ATOM 66 C ALA A 5 0.100 -2.450 7.480 1.00 0.00 C ATOM 67 O ALA A 5 -0.851 -1.751 7.825 1.00 0.00 O ATOM 68 CB ALA A 5 -0.188 -1.617 5.185 1.00 0.00 C ATOM 0 H ALA A 5 -1.524 -3.935 5.971 1.00 0.00 H new ATOM 0 HA ALA A 5 1.297 -3.058 5.871 1.00 0.00 H new ATOM 0 HB1 ALA A 5 0.403 -0.741 5.451 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.037 -1.850 4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.243 -1.410 5.363 1.00 0.00 H new ATOM 74 N LYS A 6 1.048 -2.808 8.341 1.00 0.00 N ATOM 75 CA LYS A 6 0.874 -2.365 9.689 1.00 0.00 C ATOM 76 C LYS A 6 1.737 -1.154 9.945 1.00 0.00 C ATOM 77 O LYS A 6 2.850 -1.245 10.456 1.00 0.00 O ATOM 78 CB LYS A 6 1.295 -3.503 10.617 1.00 0.00 C ATOM 79 CG LYS A 6 0.953 -3.300 12.083 1.00 0.00 C ATOM 80 CD LYS A 6 0.179 -4.489 12.636 1.00 0.00 C ATOM 81 CE LYS A 6 1.054 -5.730 12.767 1.00 0.00 C ATOM 82 NZ LYS A 6 0.940 -6.342 14.120 1.00 0.00 N ATOM 0 H LYS A 6 1.880 -3.362 8.138 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.167 -2.094 9.867 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.823 -4.424 10.274 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.372 -3.644 10.528 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.869 -3.160 12.657 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.362 -2.392 12.199 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.233 -4.231 13.612 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.665 -4.708 11.982 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.765 -6.461 12.011 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.093 -5.465 12.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.549 -7.184 14.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.239 -5.653 14.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.048 -6.618 14.294 1.00 0.00 H new ATOM 96 N HIS A 7 1.126 -0.005 9.698 1.00 0.00 N ATOM 97 CA HIS A 7 1.672 1.301 10.027 1.00 0.00 C ATOM 98 C HIS A 7 0.529 2.288 9.767 1.00 0.00 C ATOM 99 O HIS A 7 0.071 2.328 8.628 1.00 0.00 O ATOM 100 CB HIS A 7 2.937 1.636 9.241 1.00 0.00 C ATOM 101 CG HIS A 7 4.200 1.365 10.000 1.00 0.00 C ATOM 102 ND1 HIS A 7 4.223 0.875 11.292 1.00 0.00 N ATOM 103 CD2 HIS A 7 5.494 1.520 9.638 1.00 0.00 C ATOM 104 CE1 HIS A 7 5.476 0.744 11.689 1.00 0.00 C ATOM 105 NE2 HIS A 7 6.266 1.128 10.704 1.00 0.00 N ATOM 0 H HIS A 7 0.211 0.045 9.250 1.00 0.00 H new ATOM 0 HA HIS A 7 2.005 1.341 11.064 1.00 0.00 H new ATOM 0 HB2 HIS A 7 2.946 1.057 8.318 1.00 0.00 H new ATOM 0 HB3 HIS A 7 2.911 2.688 8.957 1.00 0.00 H new ATOM 0 HD2 HIS A 7 5.853 1.884 8.687 1.00 0.00 H new ATOM 0 HE1 HIS A 7 5.799 0.384 12.655 1.00 0.00 H new ATOM 0 HE2 HIS A 7 7.286 1.133 10.730 1.00 0.00 H new ATOM 114 N ASP A 8 0.067 3.133 10.677 1.00 0.00 N ATOM 115 CA ASP A 8 -0.971 4.067 10.243 1.00 0.00 C ATOM 116 C ASP A 8 -0.322 4.979 9.200 1.00 0.00 C ATOM 117 O ASP A 8 0.888 5.200 9.246 1.00 0.00 O ATOM 118 CB ASP A 8 -1.548 4.903 11.380 1.00 0.00 C ATOM 119 CG ASP A 8 -0.492 5.268 12.400 1.00 0.00 C ATOM 120 OD1 ASP A 8 0.199 4.349 12.890 1.00 0.00 O ATOM 121 OD2 ASP A 8 -0.345 6.469 12.700 1.00 0.00 O ATOM 0 H ASP A 8 0.364 3.197 11.651 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.813 3.504 9.841 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.991 5.812 10.974 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.349 4.349 11.869 1.00 0.00 H new ATOM 126 N PHE A 9 -1.114 5.563 8.303 1.00 0.00 N ATOM 127 CA PHE A 9 -0.526 6.484 7.332 1.00 0.00 C ATOM 128 C PHE A 9 -1.534 7.333 6.569 1.00 0.00 C ATOM 129 O PHE A 9 -2.680 6.958 6.321 1.00 0.00 O ATOM 130 CB PHE A 9 0.336 5.745 6.306 1.00 0.00 C ATOM 131 CG PHE A 9 1.299 6.649 5.584 1.00 0.00 C ATOM 132 CD1 PHE A 9 2.358 7.227 6.263 1.00 0.00 C ATOM 133 CD2 PHE A 9 1.151 6.918 4.231 1.00 0.00 C ATOM 134 CE1 PHE A 9 3.251 8.056 5.612 1.00 0.00 C ATOM 135 CE2 PHE A 9 2.045 7.747 3.575 1.00 0.00 C ATOM 136 CZ PHE A 9 3.096 8.314 4.266 1.00 0.00 C ATOM 0 H PHE A 9 -2.122 5.425 8.227 1.00 0.00 H new ATOM 0 HA PHE A 9 0.078 7.154 7.944 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.895 4.957 6.810 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.313 5.259 5.577 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.488 7.027 7.316 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.331 6.477 3.684 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.070 8.502 6.157 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.920 7.950 2.522 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.796 8.958 3.754 1.00 0.00 H new ATOM 146 N SER A 10 -0.957 8.432 6.081 1.00 0.00 N ATOM 147 CA SER A 10 -1.684 9.352 5.225 1.00 0.00 C ATOM 148 C SER A 10 -0.770 9.873 4.118 1.00 0.00 C ATOM 149 O SER A 10 -0.042 10.846 4.303 1.00 0.00 O ATOM 150 CB SER A 10 -2.287 10.519 6.019 1.00 0.00 C ATOM 151 OG SER A 10 -2.694 10.095 7.310 1.00 0.00 O ATOM 0 H SER A 10 0.009 8.701 6.267 1.00 0.00 H new ATOM 0 HA SER A 10 -2.512 8.803 4.777 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.554 11.320 6.109 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.141 10.928 5.480 1.00 0.00 H new ATOM 0 HG SER A 10 -3.074 10.855 7.799 1.00 0.00 H new ATOM 157 N ALA A 11 -0.884 9.238 2.953 1.00 0.00 N ATOM 158 CA ALA A 11 -0.110 9.567 1.760 1.00 0.00 C ATOM 159 C ALA A 11 0.558 10.936 1.782 1.00 0.00 C ATOM 160 O ALA A 11 0.068 11.906 2.361 1.00 0.00 O ATOM 161 CB ALA A 11 -1.051 9.508 0.580 1.00 0.00 C ATOM 0 H ALA A 11 -1.532 8.463 2.810 1.00 0.00 H new ATOM 0 HA ALA A 11 0.704 8.845 1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.506 9.749 -0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.470 8.505 0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.858 10.227 0.722 1.00 0.00 H new ATOM 167 N THR A 12 1.715 10.956 1.108 1.00 0.00 N ATOM 168 CA THR A 12 2.555 12.134 0.976 1.00 0.00 C ATOM 169 C THR A 12 2.369 12.758 -0.420 1.00 0.00 C ATOM 170 O THR A 12 2.843 13.860 -0.688 1.00 0.00 O ATOM 171 CB THR A 12 4.031 11.739 1.269 1.00 0.00 C ATOM 172 OG1 THR A 12 4.349 11.993 2.625 1.00 0.00 O ATOM 173 CG2 THR A 12 5.076 12.451 0.427 1.00 0.00 C ATOM 0 H THR A 12 2.092 10.135 0.634 1.00 0.00 H new ATOM 0 HA THR A 12 2.267 12.896 1.700 1.00 0.00 H new ATOM 0 HB THR A 12 4.074 10.680 1.016 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.280 11.738 2.796 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.070 12.104 0.710 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.903 12.235 -0.627 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.006 13.526 0.593 1.00 0.00 H new ATOM 181 N ALA A 13 1.633 12.052 -1.276 1.00 0.00 N ATOM 182 CA ALA A 13 1.324 12.544 -2.624 1.00 0.00 C ATOM 183 C ALA A 13 -0.168 12.337 -2.890 1.00 0.00 C ATOM 184 O ALA A 13 -0.789 11.485 -2.259 1.00 0.00 O ATOM 185 CB ALA A 13 2.171 11.834 -3.672 1.00 0.00 C ATOM 0 H ALA A 13 1.238 11.136 -1.063 1.00 0.00 H new ATOM 0 HA ALA A 13 1.561 13.606 -2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.922 12.217 -4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.227 12.013 -3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.971 10.763 -3.637 1.00 0.00 H new ATOM 191 N ASP A 14 -0.764 13.103 -3.809 1.00 0.00 N ATOM 192 CA ASP A 14 -2.185 12.992 -4.132 1.00 0.00 C ATOM 193 C ASP A 14 -2.547 11.613 -4.663 1.00 0.00 C ATOM 194 O ASP A 14 -3.559 11.028 -4.278 1.00 0.00 O ATOM 195 CB ASP A 14 -2.577 14.005 -5.208 1.00 0.00 C ATOM 196 CG ASP A 14 -3.789 14.829 -4.812 1.00 0.00 C ATOM 197 OD1 ASP A 14 -3.642 15.732 -3.962 1.00 0.00 O ATOM 198 OD2 ASP A 14 -4.885 14.573 -5.357 1.00 0.00 O ATOM 0 H ASP A 14 -0.273 13.816 -4.348 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.720 13.180 -3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.736 14.671 -5.401 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.787 13.479 -6.139 1.00 0.00 H new ATOM 203 N ASP A 15 -1.660 11.066 -5.485 1.00 0.00 N ATOM 204 CA ASP A 15 -1.845 9.737 -6.039 1.00 0.00 C ATOM 205 C ASP A 15 -1.277 8.693 -5.088 1.00 0.00 C ATOM 206 O ASP A 15 -0.982 7.572 -5.497 1.00 0.00 O ATOM 207 CB ASP A 15 -1.169 9.642 -7.408 1.00 0.00 C ATOM 208 CG ASP A 15 -1.925 8.750 -8.373 1.00 0.00 C ATOM 209 OD1 ASP A 15 -2.953 9.205 -8.920 1.00 0.00 O ATOM 210 OD2 ASP A 15 -1.492 7.598 -8.582 1.00 0.00 O ATOM 0 H ASP A 15 -0.801 11.529 -5.782 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.911 9.548 -6.165 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.081 10.641 -7.835 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.156 9.259 -7.283 1.00 0.00 H new ATOM 215 N GLU A 16 -1.188 9.049 -3.806 1.00 0.00 N ATOM 216 CA GLU A 16 -0.721 8.138 -2.780 1.00 0.00 C ATOM 217 C GLU A 16 -1.907 7.747 -1.914 1.00 0.00 C ATOM 218 O GLU A 16 -2.573 8.597 -1.329 1.00 0.00 O ATOM 219 CB GLU A 16 0.384 8.779 -1.935 1.00 0.00 C ATOM 220 CG GLU A 16 1.735 8.745 -2.612 1.00 0.00 C ATOM 221 CD GLU A 16 2.890 8.576 -1.647 1.00 0.00 C ATOM 222 OE1 GLU A 16 3.242 9.559 -0.961 1.00 0.00 O ATOM 223 OE2 GLU A 16 3.455 7.463 -1.589 1.00 0.00 O ATOM 0 H GLU A 16 -1.438 9.975 -3.458 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.292 7.250 -3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.117 9.814 -1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.449 8.261 -0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.751 7.927 -3.332 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.874 9.668 -3.175 1.00 0.00 H new ATOM 230 N LEU A 17 -2.211 6.468 -1.900 1.00 0.00 N ATOM 231 CA LEU A 17 -3.362 5.969 -1.164 1.00 0.00 C ATOM 232 C LEU A 17 -3.105 5.862 0.339 1.00 0.00 C ATOM 233 O LEU A 17 -2.189 5.167 0.776 1.00 0.00 O ATOM 234 CB LEU A 17 -3.695 4.569 -1.655 1.00 0.00 C ATOM 235 CG LEU A 17 -5.123 4.115 -1.363 1.00 0.00 C ATOM 236 CD1 LEU A 17 -5.996 4.262 -2.602 1.00 0.00 C ATOM 237 CD2 LEU A 17 -5.126 2.680 -0.867 1.00 0.00 C ATOM 0 H LEU A 17 -1.678 5.749 -2.390 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.173 6.678 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.527 4.526 -2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.003 3.863 -1.196 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.538 4.751 -0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.010 3.933 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.014 5.307 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.589 3.651 -3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.150 2.368 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.694 2.031 -1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.536 2.610 0.047 1.00 0.00 H new ATOM 249 N SER A 18 -3.972 6.497 1.123 1.00 0.00 N ATOM 250 CA SER A 18 -3.874 6.444 2.581 1.00 0.00 C ATOM 251 C SER A 18 -4.590 5.213 3.126 1.00 0.00 C ATOM 252 O SER A 18 -5.339 4.543 2.416 1.00 0.00 O ATOM 253 CB SER A 18 -4.474 7.699 3.213 1.00 0.00 C ATOM 254 OG SER A 18 -3.965 8.872 2.607 1.00 0.00 O ATOM 0 H SER A 18 -4.751 7.055 0.774 1.00 0.00 H new ATOM 0 HA SER A 18 -2.816 6.387 2.838 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.559 7.676 3.113 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.253 7.713 4.280 1.00 0.00 H new ATOM 0 HG SER A 18 -4.367 9.659 3.030 1.00 0.00 H new ATOM 260 N PHE A 19 -4.297 4.901 4.393 1.00 0.00 N ATOM 261 CA PHE A 19 -4.869 3.740 5.068 1.00 0.00 C ATOM 262 C PHE A 19 -4.565 3.761 6.566 1.00 0.00 C ATOM 263 O PHE A 19 -3.958 4.706 7.078 1.00 0.00 O ATOM 264 CB PHE A 19 -4.331 2.456 4.450 1.00 0.00 C ATOM 265 CG PHE A 19 -2.836 2.361 4.542 1.00 0.00 C ATOM 266 CD1 PHE A 19 -2.231 1.895 5.697 1.00 0.00 C ATOM 267 CD2 PHE A 19 -2.033 2.748 3.480 1.00 0.00 C ATOM 268 CE1 PHE A 19 -0.857 1.814 5.794 1.00 0.00 C ATOM 269 CE2 PHE A 19 -0.656 2.669 3.572 1.00 0.00 C ATOM 270 CZ PHE A 19 -0.067 2.201 4.730 1.00 0.00 C ATOM 0 H PHE A 19 -3.659 5.446 4.974 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.951 3.779 4.940 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.779 1.599 4.952 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.632 2.405 3.404 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.843 1.591 6.533 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.488 3.115 2.572 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.400 1.448 6.702 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.041 2.973 2.738 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.009 2.138 4.803 1.00 0.00 H new ATOM 280 N ARG A 20 -5.039 2.739 7.272 1.00 0.00 N ATOM 281 CA ARG A 20 -4.841 2.646 8.714 1.00 0.00 C ATOM 282 C ARG A 20 -3.898 1.498 9.044 1.00 0.00 C ATOM 283 O ARG A 20 -3.640 0.645 8.192 1.00 0.00 O ATOM 284 CB ARG A 20 -6.178 2.460 9.436 1.00 0.00 C ATOM 285 CG ARG A 20 -6.567 3.651 10.299 1.00 0.00 C ATOM 286 CD ARG A 20 -6.832 4.892 9.459 1.00 0.00 C ATOM 287 NE ARG A 20 -8.248 5.246 9.448 1.00 0.00 N ATOM 288 CZ ARG A 20 -9.088 4.953 8.454 1.00 0.00 C ATOM 289 NH1 ARG A 20 -8.662 4.312 7.370 1.00 0.00 N ATOM 290 NH2 ARG A 20 -10.361 5.305 8.544 1.00 0.00 N ATOM 0 H ARG A 20 -5.563 1.963 6.868 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.394 3.578 9.059 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.960 2.284 8.698 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.124 1.569 10.062 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.458 3.406 10.877 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.770 3.858 11.013 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.251 5.727 9.851 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.492 4.719 8.438 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.620 5.750 10.253 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.683 4.038 7.291 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.315 4.094 6.617 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.696 5.798 9.371 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.006 5.083 7.786 1.00 0.00 H new ATOM 304 N LYS A 21 -3.421 1.424 10.281 1.00 0.00 N ATOM 305 CA LYS A 21 -2.563 0.322 10.672 1.00 0.00 C ATOM 306 C LYS A 21 -3.342 -0.988 10.557 1.00 0.00 C ATOM 307 O LYS A 21 -4.502 -1.080 10.957 1.00 0.00 O ATOM 308 CB LYS A 21 -2.100 0.496 12.116 1.00 0.00 C ATOM 309 CG LYS A 21 -3.246 0.655 13.098 1.00 0.00 C ATOM 310 CD LYS A 21 -2.766 0.547 14.535 1.00 0.00 C ATOM 311 CE LYS A 21 -3.436 -0.611 15.258 1.00 0.00 C ATOM 312 NZ LYS A 21 -4.617 -0.169 16.050 1.00 0.00 N ATOM 0 H LYS A 21 -3.612 2.104 11.017 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.693 0.304 10.016 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.500 -0.367 12.405 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.452 1.370 12.180 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.726 1.622 12.945 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.999 -0.109 12.906 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.685 0.410 14.550 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.977 1.478 15.062 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.748 -1.360 14.530 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.715 -1.090 15.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.043 -0.990 16.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.317 0.527 16.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.318 0.265 15.416 1.00 0.00 H new ATOM 326 N THR A 22 -2.680 -1.998 10.009 1.00 0.00 N ATOM 327 CA THR A 22 -3.237 -3.338 9.861 1.00 0.00 C ATOM 328 C THR A 22 -4.199 -3.511 8.695 1.00 0.00 C ATOM 329 O THR A 22 -4.809 -4.575 8.570 1.00 0.00 O ATOM 330 CB THR A 22 -3.917 -3.780 11.157 1.00 0.00 C ATOM 331 OG1 THR A 22 -3.308 -3.169 12.281 1.00 0.00 O ATOM 332 CG2 THR A 22 -3.863 -5.278 11.365 1.00 0.00 C ATOM 0 H THR A 22 -1.729 -1.910 9.650 1.00 0.00 H new ATOM 0 HA THR A 22 -2.381 -3.973 9.636 1.00 0.00 H new ATOM 0 HB THR A 22 -4.958 -3.472 11.062 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.760 -3.465 13.099 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.361 -5.534 12.300 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.366 -5.779 10.538 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.823 -5.602 11.407 1.00 0.00 H new ATOM 340 N GLN A 23 -4.356 -2.509 7.830 1.00 0.00 N ATOM 341 CA GLN A 23 -5.258 -2.700 6.706 1.00 0.00 C ATOM 342 C GLN A 23 -4.541 -3.326 5.516 1.00 0.00 C ATOM 343 O GLN A 23 -3.369 -3.051 5.263 1.00 0.00 O ATOM 344 CB GLN A 23 -6.038 -1.446 6.307 1.00 0.00 C ATOM 345 CG GLN A 23 -7.102 -1.056 7.324 1.00 0.00 C ATOM 346 CD GLN A 23 -8.117 -0.071 6.777 1.00 0.00 C ATOM 347 OE1 GLN A 23 -8.212 1.065 7.242 1.00 0.00 O ATOM 348 NE2 GLN A 23 -8.887 -0.508 5.789 1.00 0.00 N ATOM 0 H GLN A 23 -3.894 -1.601 7.882 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.014 -3.403 7.055 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.342 -0.617 6.182 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.512 -1.613 5.340 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.621 -1.954 7.660 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.618 -0.621 8.199 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.773 -1.458 5.435 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.593 0.106 5.383 1.00 0.00 H new ATOM 357 N ILE A 24 -5.253 -4.207 4.824 1.00 0.00 N ATOM 358 CA ILE A 24 -4.702 -4.938 3.689 1.00 0.00 C ATOM 359 C ILE A 24 -4.730 -4.105 2.407 1.00 0.00 C ATOM 360 O ILE A 24 -5.745 -3.502 2.063 1.00 0.00 O ATOM 361 CB ILE A 24 -5.489 -6.249 3.484 1.00 0.00 C ATOM 362 CG1 ILE A 24 -4.859 -7.099 2.384 1.00 0.00 C ATOM 363 CG2 ILE A 24 -6.951 -5.960 3.173 1.00 0.00 C ATOM 364 CD1 ILE A 24 -3.803 -8.054 2.898 1.00 0.00 C ATOM 0 H ILE A 24 -6.225 -4.435 5.033 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.659 -5.164 3.911 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.445 -6.816 4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.641 -7.669 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.413 -6.442 1.637 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.486 -6.899 3.032 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.397 -5.409 4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.018 -5.364 2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.395 -8.628 2.066 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.003 -7.489 3.375 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.250 -8.734 3.623 1.00 0.00 H new ATOM 376 N LEU A 25 -3.592 -4.065 1.710 1.00 0.00 N ATOM 377 CA LEU A 25 -3.489 -3.292 0.477 1.00 0.00 C ATOM 378 C LEU A 25 -3.255 -4.182 -0.744 1.00 0.00 C ATOM 379 O LEU A 25 -2.579 -5.205 -0.651 1.00 0.00 O ATOM 380 CB LEU A 25 -2.385 -2.241 0.589 1.00 0.00 C ATOM 381 CG LEU A 25 -2.479 -1.356 1.834 1.00 0.00 C ATOM 382 CD1 LEU A 25 -1.220 -0.521 1.992 1.00 0.00 C ATOM 383 CD2 LEU A 25 -3.708 -0.463 1.760 1.00 0.00 C ATOM 0 H LEU A 25 -2.738 -4.555 1.978 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.445 -2.788 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.419 -2.745 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.413 -1.606 -0.296 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.574 -2.000 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.306 0.102 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.357 -1.179 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.093 0.115 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.760 0.160 2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.643 0.173 0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.604 -1.081 1.696 1.00 0.00 H new ATOM 395 N LYS A 26 -3.843 -3.807 -1.876 1.00 0.00 N ATOM 396 CA LYS A 26 -3.736 -4.575 -3.118 1.00 0.00 C ATOM 397 C LYS A 26 -2.475 -4.218 -3.916 1.00 0.00 C ATOM 398 O LYS A 26 -2.454 -3.226 -4.639 1.00 0.00 O ATOM 399 CB LYS A 26 -4.950 -4.218 -3.980 1.00 0.00 C ATOM 400 CG LYS A 26 -6.079 -5.232 -3.910 1.00 0.00 C ATOM 401 CD LYS A 26 -6.750 -5.221 -2.547 1.00 0.00 C ATOM 402 CE LYS A 26 -6.581 -6.550 -1.833 1.00 0.00 C ATOM 403 NZ LYS A 26 -7.794 -7.404 -1.953 1.00 0.00 N ATOM 0 H LYS A 26 -4.408 -2.962 -1.961 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.689 -5.635 -2.867 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.330 -3.245 -3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.629 -4.118 -5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.816 -5.012 -4.682 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.689 -6.228 -4.117 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.326 -4.423 -1.938 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.811 -5.002 -2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.723 -7.078 -2.248 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.366 -6.371 -0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.637 -8.302 -1.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.608 -6.911 -1.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.985 -7.597 -2.957 1.00 0.00 H new ATOM 417 N ILE A 27 -1.439 -5.046 -3.797 1.00 0.00 N ATOM 418 CA ILE A 27 -0.197 -4.792 -4.533 1.00 0.00 C ATOM 419 C ILE A 27 -0.324 -5.248 -5.975 1.00 0.00 C ATOM 420 O ILE A 27 -0.862 -6.323 -6.242 1.00 0.00 O ATOM 421 CB ILE A 27 1.009 -5.515 -3.914 1.00 0.00 C ATOM 422 CG1 ILE A 27 1.017 -5.354 -2.398 1.00 0.00 C ATOM 423 CG2 ILE A 27 2.301 -4.985 -4.522 1.00 0.00 C ATOM 424 CD1 ILE A 27 1.000 -3.914 -1.936 1.00 0.00 C ATOM 0 H ILE A 27 -1.430 -5.882 -3.212 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.031 -3.716 -4.482 1.00 0.00 H new ATOM 0 HB ILE A 27 0.930 -6.579 -4.135 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.151 -5.869 -1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.903 -5.845 -1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.151 -5.503 -4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.294 -5.156 -5.598 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.384 -3.916 -4.325 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.007 -3.881 -0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.880 -3.398 -2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.101 -3.423 -2.308 1.00 0.00 H new ATOM 436 N LEU A 28 0.095 -4.394 -6.911 1.00 0.00 N ATOM 437 CA LEU A 28 -0.042 -4.721 -8.326 1.00 0.00 C ATOM 438 C LEU A 28 1.086 -4.170 -9.194 1.00 0.00 C ATOM 439 O LEU A 28 1.338 -4.706 -10.273 1.00 0.00 O ATOM 440 CB LEU A 28 -1.386 -4.223 -8.854 1.00 0.00 C ATOM 441 CG LEU A 28 -2.589 -4.532 -7.958 1.00 0.00 C ATOM 442 CD1 LEU A 28 -3.287 -3.251 -7.556 1.00 0.00 C ATOM 443 CD2 LEU A 28 -3.555 -5.480 -8.651 1.00 0.00 C ATOM 0 H LEU A 28 0.523 -3.489 -6.718 1.00 0.00 H new ATOM 0 HA LEU A 28 0.014 -5.808 -8.392 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.326 -3.144 -8.996 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.560 -4.665 -9.835 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.227 -5.026 -7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.140 -3.486 -6.919 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.591 -2.614 -7.010 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.633 -2.730 -8.449 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.400 -5.683 -7.993 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.914 -5.023 -9.573 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.044 -6.414 -8.884 1.00 0.00 H new ATOM 455 N ASN A 29 1.812 -3.150 -8.732 1.00 0.00 N ATOM 456 CA ASN A 29 2.932 -2.671 -9.531 1.00 0.00 C ATOM 457 C ASN A 29 4.057 -2.151 -8.661 1.00 0.00 C ATOM 458 O ASN A 29 4.003 -1.072 -8.072 1.00 0.00 O ATOM 459 CB ASN A 29 2.435 -1.600 -10.509 1.00 0.00 C ATOM 460 CG ASN A 29 3.558 -0.837 -11.187 1.00 0.00 C ATOM 461 OD1 ASN A 29 4.038 -1.231 -12.250 1.00 0.00 O ATOM 462 ND2 ASN A 29 3.980 0.265 -10.575 1.00 0.00 N ATOM 0 H ASN A 29 1.654 -2.662 -7.851 1.00 0.00 H new ATOM 0 HA ASN A 29 3.342 -3.506 -10.099 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.815 -2.073 -11.271 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.799 -0.896 -9.973 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.730 0.821 -10.986 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.553 0.555 -9.695 1.00 0.00 H new ATOM 469 N MET A 30 5.119 -2.946 -8.703 1.00 0.00 N ATOM 470 CA MET A 30 6.366 -2.695 -8.042 1.00 0.00 C ATOM 471 C MET A 30 7.509 -2.722 -9.041 1.00 0.00 C ATOM 472 O MET A 30 7.730 -3.731 -9.704 1.00 0.00 O ATOM 473 CB MET A 30 6.609 -3.716 -6.915 1.00 0.00 C ATOM 474 CG MET A 30 6.710 -5.158 -7.389 1.00 0.00 C ATOM 475 SD MET A 30 7.806 -6.151 -6.357 1.00 0.00 S ATOM 476 CE MET A 30 6.925 -7.710 -6.334 1.00 0.00 C ATOM 0 H MET A 30 5.121 -3.821 -9.227 1.00 0.00 H new ATOM 0 HA MET A 30 6.319 -1.703 -7.593 1.00 0.00 H new ATOM 0 HB2 MET A 30 7.529 -3.452 -6.393 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.798 -3.640 -6.190 1.00 0.00 H new ATOM 0 HG2 MET A 30 5.716 -5.606 -7.393 1.00 0.00 H new ATOM 0 HG3 MET A 30 7.071 -5.174 -8.417 1.00 0.00 H new ATOM 0 HE1 MET A 30 7.478 -8.432 -5.733 1.00 0.00 H new ATOM 0 HE2 MET A 30 5.935 -7.562 -5.903 1.00 0.00 H new ATOM 0 HE3 MET A 30 6.825 -8.086 -7.352 1.00 0.00 H new ATOM 486 N GLU A 31 8.313 -1.686 -9.050 1.00 0.00 N ATOM 487 CA GLU A 31 9.528 -1.654 -9.865 1.00 0.00 C ATOM 488 C GLU A 31 10.129 -0.270 -9.999 1.00 0.00 C ATOM 489 O GLU A 31 11.345 -0.075 -10.010 1.00 0.00 O ATOM 490 CB GLU A 31 9.443 -2.389 -11.209 1.00 0.00 C ATOM 491 CG GLU A 31 8.416 -1.790 -12.156 1.00 0.00 C ATOM 492 CD GLU A 31 8.587 -2.269 -13.583 1.00 0.00 C ATOM 493 OE1 GLU A 31 9.725 -2.214 -14.094 1.00 0.00 O ATOM 494 OE2 GLU A 31 7.584 -2.699 -14.189 1.00 0.00 O ATOM 0 H GLU A 31 8.155 -0.841 -8.501 1.00 0.00 H new ATOM 0 HA GLU A 31 10.231 -2.247 -9.279 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.422 -2.372 -11.688 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.195 -3.435 -11.029 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.415 -2.046 -11.809 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.494 -0.703 -12.130 1.00 0.00 H new ATOM 501 N ASP A 32 9.213 0.687 -10.007 1.00 0.00 N ATOM 502 CA ASP A 32 9.560 2.086 -10.110 1.00 0.00 C ATOM 503 C ASP A 32 10.095 2.638 -8.818 1.00 0.00 C ATOM 504 O ASP A 32 10.709 3.705 -8.814 1.00 0.00 O ATOM 505 CB ASP A 32 8.342 2.912 -10.537 1.00 0.00 C ATOM 506 CG ASP A 32 8.351 3.226 -12.018 1.00 0.00 C ATOM 507 OD1 ASP A 32 9.236 3.991 -12.455 1.00 0.00 O ATOM 508 OD2 ASP A 32 7.474 2.709 -12.741 1.00 0.00 O ATOM 0 H ASP A 32 8.211 0.510 -9.942 1.00 0.00 H new ATOM 0 HA ASP A 32 10.345 2.158 -10.863 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.431 2.367 -10.289 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.321 3.843 -9.971 1.00 0.00 H new ATOM 513 N ASP A 33 9.803 1.985 -7.706 1.00 0.00 N ATOM 514 CA ASP A 33 10.255 2.495 -6.435 1.00 0.00 C ATOM 515 C ASP A 33 10.424 1.400 -5.394 1.00 0.00 C ATOM 516 O ASP A 33 9.436 0.974 -4.798 1.00 0.00 O ATOM 517 CB ASP A 33 9.270 3.544 -5.922 1.00 0.00 C ATOM 518 CG ASP A 33 9.982 4.770 -5.392 1.00 0.00 C ATOM 519 OD1 ASP A 33 10.556 4.688 -4.288 1.00 0.00 O ATOM 520 OD2 ASP A 33 9.977 5.807 -6.089 1.00 0.00 O ATOM 0 H ASP A 33 9.266 1.119 -7.662 1.00 0.00 H new ATOM 0 HA ASP A 33 11.235 2.943 -6.596 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.596 3.835 -6.728 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.655 3.111 -5.133 1.00 0.00 H new ATOM 525 N SER A 34 11.646 0.921 -5.167 1.00 0.00 N ATOM 526 CA SER A 34 11.875 -0.136 -4.188 1.00 0.00 C ATOM 527 C SER A 34 11.487 0.329 -2.786 1.00 0.00 C ATOM 528 O SER A 34 12.101 -0.087 -1.805 1.00 0.00 O ATOM 529 CB SER A 34 13.346 -0.557 -4.211 1.00 0.00 C ATOM 530 OG SER A 34 14.192 0.535 -3.893 1.00 0.00 O ATOM 0 H SER A 34 12.486 1.246 -5.645 1.00 0.00 H new ATOM 0 HA SER A 34 11.251 -0.990 -4.451 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.508 -1.366 -3.499 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.602 -0.945 -5.197 1.00 0.00 H new ATOM 0 HG SER A 34 15.127 0.241 -3.912 1.00 0.00 H new ATOM 536 N ASN A 35 10.563 1.280 -2.701 1.00 0.00 N ATOM 537 CA ASN A 35 10.190 1.867 -1.411 1.00 0.00 C ATOM 538 C ASN A 35 8.733 2.331 -1.375 1.00 0.00 C ATOM 539 O ASN A 35 8.126 2.435 -0.308 1.00 0.00 O ATOM 540 CB ASN A 35 11.080 3.084 -1.147 1.00 0.00 C ATOM 541 CG ASN A 35 11.640 3.088 0.262 1.00 0.00 C ATOM 542 OD1 ASN A 35 11.709 2.047 0.917 1.00 0.00 O ATOM 543 ND2 ASN A 35 12.043 4.261 0.734 1.00 0.00 N ATOM 0 H ASN A 35 10.059 1.661 -3.502 1.00 0.00 H new ATOM 0 HA ASN A 35 10.319 1.094 -0.653 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.902 3.093 -1.863 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.505 3.995 -1.310 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.429 4.326 1.676 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.967 5.097 0.155 1.00 0.00 H new ATOM 550 N TRP A 36 8.184 2.621 -2.548 1.00 0.00 N ATOM 551 CA TRP A 36 6.810 3.072 -2.673 1.00 0.00 C ATOM 552 C TRP A 36 6.101 2.213 -3.716 1.00 0.00 C ATOM 553 O TRP A 36 6.484 2.203 -4.886 1.00 0.00 O ATOM 554 CB TRP A 36 6.778 4.552 -3.074 1.00 0.00 C ATOM 555 CG TRP A 36 7.459 5.453 -2.079 1.00 0.00 C ATOM 556 CD1 TRP A 36 8.722 5.957 -2.163 1.00 0.00 C ATOM 557 CD2 TRP A 36 6.914 5.951 -0.851 1.00 0.00 C ATOM 558 NE1 TRP A 36 9.000 6.728 -1.060 1.00 0.00 N ATOM 559 CE2 TRP A 36 7.906 6.739 -0.240 1.00 0.00 C ATOM 560 CE3 TRP A 36 5.687 5.803 -0.211 1.00 0.00 C ATOM 561 CZ2 TRP A 36 7.705 7.375 0.983 1.00 0.00 C ATOM 562 CZ3 TRP A 36 5.484 6.434 1.003 1.00 0.00 C ATOM 563 CH2 TRP A 36 6.490 7.211 1.590 1.00 0.00 C ATOM 0 H TRP A 36 8.680 2.549 -3.436 1.00 0.00 H new ATOM 0 HA TRP A 36 6.297 2.970 -1.717 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.257 4.668 -4.046 1.00 0.00 H new ATOM 0 HB3 TRP A 36 5.741 4.868 -3.189 1.00 0.00 H new ATOM 0 HD1 TRP A 36 9.406 5.777 -2.979 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.879 7.213 -0.882 1.00 0.00 H new ATOM 0 HE3 TRP A 36 4.905 5.205 -0.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 8.480 7.976 1.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.534 6.326 1.506 1.00 0.00 H new ATOM 0 HH2 TRP A 36 6.303 7.690 2.540 1.00 0.00 H new ATOM 574 N TYR A 37 5.136 1.416 -3.269 1.00 0.00 N ATOM 575 CA TYR A 37 4.443 0.480 -4.155 1.00 0.00 C ATOM 576 C TYR A 37 3.140 1.049 -4.701 1.00 0.00 C ATOM 577 O TYR A 37 2.545 1.946 -4.105 1.00 0.00 O ATOM 578 CB TYR A 37 4.136 -0.817 -3.395 1.00 0.00 C ATOM 579 CG TYR A 37 5.229 -1.866 -3.445 1.00 0.00 C ATOM 580 CD1 TYR A 37 6.497 -1.581 -3.940 1.00 0.00 C ATOM 581 CD2 TYR A 37 4.979 -3.157 -2.995 1.00 0.00 C ATOM 582 CE1 TYR A 37 7.481 -2.553 -3.986 1.00 0.00 C ATOM 583 CE2 TYR A 37 5.957 -4.133 -3.035 1.00 0.00 C ATOM 584 CZ TYR A 37 7.207 -3.828 -3.533 1.00 0.00 C ATOM 585 OH TYR A 37 8.187 -4.797 -3.580 1.00 0.00 O ATOM 0 H TYR A 37 4.815 1.397 -2.301 1.00 0.00 H new ATOM 0 HA TYR A 37 5.105 0.289 -4.999 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.938 -0.570 -2.352 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.221 -1.249 -3.800 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.717 -0.585 -4.294 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.002 -3.402 -2.607 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.460 -2.315 -4.375 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.744 -5.130 -2.678 1.00 0.00 H new ATOM 0 HH TYR A 37 8.164 -5.243 -4.452 1.00 0.00 H new ATOM 595 N ARG A 38 2.747 0.575 -5.883 1.00 0.00 N ATOM 596 CA ARG A 38 1.511 1.012 -6.514 1.00 0.00 C ATOM 597 C ARG A 38 0.503 -0.067 -6.156 1.00 0.00 C ATOM 598 O ARG A 38 0.561 -1.187 -6.671 1.00 0.00 O ATOM 599 CB ARG A 38 1.659 1.151 -8.027 1.00 0.00 C ATOM 600 CG ARG A 38 0.493 1.866 -8.690 1.00 0.00 C ATOM 601 CD ARG A 38 0.887 3.252 -9.170 1.00 0.00 C ATOM 602 NE ARG A 38 2.057 3.215 -10.044 1.00 0.00 N ATOM 603 CZ ARG A 38 2.002 3.290 -11.374 1.00 0.00 C ATOM 604 NH1 ARG A 38 0.842 3.413 -12.005 1.00 0.00 N ATOM 605 NH2 ARG A 38 3.121 3.245 -12.081 1.00 0.00 N ATOM 0 H ARG A 38 3.272 -0.114 -6.421 1.00 0.00 H new ATOM 0 HA ARG A 38 1.207 2.000 -6.168 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.579 1.694 -8.245 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.763 0.159 -8.466 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.136 1.276 -9.534 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.334 1.946 -7.985 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.050 3.703 -9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.097 3.888 -8.310 1.00 0.00 H new ATOM 0 HE ARG A 38 2.975 3.126 -9.609 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.027 3.452 -11.472 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.819 3.469 -13.023 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.020 3.153 -11.608 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.084 3.302 -13.099 1.00 0.00 H new ATOM 619 N ALA A 39 -0.401 0.272 -5.253 1.00 0.00 N ATOM 620 CA ALA A 39 -1.414 -0.662 -4.787 1.00 0.00 C ATOM 621 C ALA A 39 -2.812 -0.200 -5.178 1.00 0.00 C ATOM 622 O ALA A 39 -3.006 0.909 -5.676 1.00 0.00 O ATOM 623 CB ALA A 39 -1.307 -0.816 -3.280 1.00 0.00 C ATOM 0 H ALA A 39 -0.455 1.196 -4.824 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.241 -1.628 -5.262 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.066 -1.516 -2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.318 -1.195 -3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.460 0.152 -2.804 1.00 0.00 H new ATOM 629 N GLU A 40 -3.777 -1.082 -4.946 1.00 0.00 N ATOM 630 CA GLU A 40 -5.161 -0.778 -5.280 1.00 0.00 C ATOM 631 C GLU A 40 -6.069 -0.879 -4.061 1.00 0.00 C ATOM 632 O GLU A 40 -5.788 -1.613 -3.115 1.00 0.00 O ATOM 633 CB GLU A 40 -5.668 -1.705 -6.385 1.00 0.00 C ATOM 634 CG GLU A 40 -6.964 -1.251 -7.033 1.00 0.00 C ATOM 635 CD GLU A 40 -7.767 -2.408 -7.597 1.00 0.00 C ATOM 636 OE1 GLU A 40 -8.525 -3.037 -6.828 1.00 0.00 O ATOM 637 OE2 GLU A 40 -7.636 -2.686 -8.808 1.00 0.00 O ATOM 0 H GLU A 40 -3.629 -2.003 -4.533 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.188 0.251 -5.638 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.900 -1.789 -7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.813 -2.702 -5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.567 -0.718 -6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.739 -0.545 -7.832 1.00 0.00 H new ATOM 644 N LEU A 41 -7.119 -0.081 -4.059 1.00 0.00 N ATOM 645 CA LEU A 41 -8.043 -0.056 -2.943 1.00 0.00 C ATOM 646 C LEU A 41 -9.336 0.607 -3.365 1.00 0.00 C ATOM 647 O LEU A 41 -9.326 1.677 -3.970 1.00 0.00 O ATOM 648 CB LEU A 41 -7.421 0.682 -1.766 1.00 0.00 C ATOM 649 CG LEU A 41 -8.033 0.374 -0.394 1.00 0.00 C ATOM 650 CD1 LEU A 41 -6.975 -0.175 0.561 1.00 0.00 C ATOM 651 CD2 LEU A 41 -8.699 1.617 0.189 1.00 0.00 C ATOM 0 H LEU A 41 -7.353 0.559 -4.818 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.259 -1.078 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.358 0.444 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.502 1.754 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.798 -0.391 -0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.432 -0.386 1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.555 -1.093 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.182 0.562 0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.127 1.378 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.957 2.408 0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.489 1.955 -0.482 1.00 0.00 H new ATOM 663 N ASP A 42 -10.445 -0.036 -3.049 1.00 0.00 N ATOM 664 CA ASP A 42 -11.759 0.486 -3.404 1.00 0.00 C ATOM 665 C ASP A 42 -11.825 0.910 -4.880 1.00 0.00 C ATOM 666 O ASP A 42 -12.773 1.578 -5.291 1.00 0.00 O ATOM 667 CB ASP A 42 -12.109 1.675 -2.503 1.00 0.00 C ATOM 668 CG ASP A 42 -13.445 1.505 -1.808 1.00 0.00 C ATOM 669 OD1 ASP A 42 -14.478 1.445 -2.509 1.00 0.00 O ATOM 670 OD2 ASP A 42 -13.461 1.438 -0.561 1.00 0.00 O ATOM 0 H ASP A 42 -10.466 -0.923 -2.546 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.485 -0.313 -3.256 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.327 1.801 -1.754 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.128 2.586 -3.101 1.00 0.00 H new ATOM 675 N GLY A 43 -10.832 0.508 -5.678 1.00 0.00 N ATOM 676 CA GLY A 43 -10.820 0.863 -7.085 1.00 0.00 C ATOM 677 C GLY A 43 -9.837 1.981 -7.398 1.00 0.00 C ATOM 678 O GLY A 43 -9.843 2.518 -8.506 1.00 0.00 O ATOM 0 H GLY A 43 -10.039 -0.056 -5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.564 -0.017 -7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.821 1.170 -7.387 1.00 0.00 H new ATOM 682 N LYS A 44 -9.058 2.405 -6.403 1.00 0.00 N ATOM 683 CA LYS A 44 -8.102 3.496 -6.597 1.00 0.00 C ATOM 684 C LYS A 44 -6.687 2.922 -6.631 1.00 0.00 C ATOM 685 O LYS A 44 -6.313 2.136 -5.762 1.00 0.00 O ATOM 686 CB LYS A 44 -8.210 4.526 -5.472 1.00 0.00 C ATOM 687 CG LYS A 44 -9.624 5.021 -5.228 1.00 0.00 C ATOM 688 CD LYS A 44 -10.063 6.012 -6.293 1.00 0.00 C ATOM 689 CE LYS A 44 -10.288 7.395 -5.710 1.00 0.00 C ATOM 690 NZ LYS A 44 -9.772 8.463 -6.607 1.00 0.00 N ATOM 0 H LYS A 44 -9.069 2.013 -5.461 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.328 3.995 -7.540 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.825 4.087 -4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.573 5.378 -5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.309 4.173 -5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.681 5.492 -4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.306 6.065 -7.076 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.982 5.660 -6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.353 7.548 -5.538 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.795 7.465 -4.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.944 9.393 -6.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.750 8.332 -6.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.260 8.412 -7.524 1.00 0.00 H new ATOM 704 N GLU A 45 -5.892 3.343 -7.613 1.00 0.00 N ATOM 705 CA GLU A 45 -4.509 2.888 -7.717 1.00 0.00 C ATOM 706 C GLU A 45 -3.561 3.997 -7.259 1.00 0.00 C ATOM 707 O GLU A 45 -3.505 5.049 -7.898 1.00 0.00 O ATOM 708 CB GLU A 45 -4.182 2.455 -9.152 1.00 0.00 C ATOM 709 CG GLU A 45 -2.694 2.293 -9.435 1.00 0.00 C ATOM 710 CD GLU A 45 -2.234 3.185 -10.565 1.00 0.00 C ATOM 711 OE1 GLU A 45 -1.883 4.353 -10.294 1.00 0.00 O ATOM 712 OE2 GLU A 45 -2.234 2.719 -11.723 1.00 0.00 O ATOM 0 H GLU A 45 -6.180 3.994 -8.343 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.378 2.022 -7.069 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.684 1.509 -9.357 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.593 3.190 -9.843 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.126 2.526 -8.534 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.483 1.253 -9.685 1.00 0.00 H new ATOM 719 N GLY A 46 -2.853 3.814 -6.152 1.00 0.00 N ATOM 720 CA GLY A 46 -1.994 4.890 -5.689 1.00 0.00 C ATOM 721 C GLY A 46 -0.636 4.462 -5.177 1.00 0.00 C ATOM 722 O GLY A 46 -0.314 3.276 -5.124 1.00 0.00 O ATOM 0 H GLY A 46 -2.854 2.969 -5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.849 5.594 -6.508 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.510 5.428 -4.894 1.00 0.00 H new ATOM 726 N LEU A 47 0.148 5.465 -4.782 1.00 0.00 N ATOM 727 CA LEU A 47 1.481 5.252 -4.236 1.00 0.00 C ATOM 728 C LEU A 47 1.396 5.176 -2.717 1.00 0.00 C ATOM 729 O LEU A 47 0.630 5.914 -2.100 1.00 0.00 O ATOM 730 CB LEU A 47 2.405 6.410 -4.622 1.00 0.00 C ATOM 731 CG LEU A 47 3.466 6.111 -5.672 1.00 0.00 C ATOM 732 CD1 LEU A 47 2.949 6.474 -7.052 1.00 0.00 C ATOM 733 CD2 LEU A 47 4.735 6.887 -5.352 1.00 0.00 C ATOM 0 H LEU A 47 -0.126 6.446 -4.833 1.00 0.00 H new ATOM 0 HA LEU A 47 1.882 4.322 -4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.788 7.232 -4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.907 6.761 -3.720 1.00 0.00 H new ATOM 0 HG LEU A 47 3.695 5.045 -5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.715 6.257 -7.796 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.055 5.891 -7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.705 7.536 -7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.493 6.671 -6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.518 7.955 -5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.105 6.591 -4.370 1.00 0.00 H new ATOM 745 N ILE A 48 2.158 4.286 -2.107 1.00 0.00 N ATOM 746 CA ILE A 48 2.107 4.143 -0.659 1.00 0.00 C ATOM 747 C ILE A 48 3.435 3.720 -0.063 1.00 0.00 C ATOM 748 O ILE A 48 4.204 2.994 -0.698 1.00 0.00 O ATOM 749 CB ILE A 48 1.057 3.087 -0.256 1.00 0.00 C ATOM 750 CG1 ILE A 48 1.367 1.747 -0.930 1.00 0.00 C ATOM 751 CG2 ILE A 48 -0.349 3.548 -0.611 1.00 0.00 C ATOM 752 CD1 ILE A 48 2.322 0.877 -0.142 1.00 0.00 C ATOM 0 H ILE A 48 2.810 3.660 -2.580 1.00 0.00 H new ATOM 0 HA ILE A 48 1.845 5.128 -0.272 1.00 0.00 H new ATOM 0 HB ILE A 48 1.104 2.957 0.825 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.435 1.203 -1.082 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.791 1.936 -1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.068 2.784 -0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.571 4.477 -0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.417 3.714 -1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.494 -0.055 -0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.269 1.401 -0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.892 0.657 0.835 1.00 0.00 H new ATOM 764 N PRO A 49 3.627 3.986 1.244 1.00 0.00 N ATOM 765 CA PRO A 49 4.818 3.557 1.953 1.00 0.00 C ATOM 766 C PRO A 49 4.991 2.038 1.923 1.00 0.00 C ATOM 767 O PRO A 49 4.147 1.301 2.431 1.00 0.00 O ATOM 768 CB PRO A 49 4.610 4.037 3.386 1.00 0.00 C ATOM 769 CG PRO A 49 3.144 4.279 3.510 1.00 0.00 C ATOM 770 CD PRO A 49 2.659 4.648 2.137 1.00 0.00 C ATOM 0 HA PRO A 49 5.718 3.965 1.493 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.948 3.290 4.104 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.177 4.947 3.582 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.633 3.389 3.877 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.941 5.079 4.222 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.643 4.294 1.961 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.651 5.728 1.991 1.00 0.00 H new ATOM 778 N SER A 50 6.041 1.575 1.260 1.00 0.00 N ATOM 779 CA SER A 50 6.291 0.140 1.166 1.00 0.00 C ATOM 780 C SER A 50 6.753 -0.391 2.522 1.00 0.00 C ATOM 781 O SER A 50 6.499 -1.545 2.870 1.00 0.00 O ATOM 782 CB SER A 50 7.314 -0.183 0.076 1.00 0.00 C ATOM 783 OG SER A 50 7.122 -1.492 -0.430 1.00 0.00 O ATOM 0 H SER A 50 6.727 2.161 0.784 1.00 0.00 H new ATOM 0 HA SER A 50 5.360 -0.354 0.888 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.227 0.540 -0.735 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.322 -0.090 0.480 1.00 0.00 H new ATOM 0 HG SER A 50 6.814 -1.442 -1.359 1.00 0.00 H new ATOM 789 N ASN A 51 7.438 0.464 3.273 1.00 0.00 N ATOM 790 CA ASN A 51 7.961 0.089 4.588 1.00 0.00 C ATOM 791 C ASN A 51 6.852 -0.064 5.636 1.00 0.00 C ATOM 792 O ASN A 51 7.083 -0.607 6.718 1.00 0.00 O ATOM 793 CB ASN A 51 8.945 1.167 5.057 1.00 0.00 C ATOM 794 CG ASN A 51 10.348 0.633 5.244 1.00 0.00 C ATOM 795 OD1 ASN A 51 11.044 0.326 4.275 1.00 0.00 O ATOM 796 ND2 ASN A 51 10.772 0.521 6.497 1.00 0.00 N ATOM 0 H ASN A 51 7.646 1.423 2.996 1.00 0.00 H new ATOM 0 HA ASN A 51 8.454 -0.878 4.486 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.963 1.978 4.329 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.593 1.590 5.998 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.710 0.168 6.688 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.160 0.788 7.268 1.00 0.00 H new ATOM 803 N TYR A 52 5.650 0.394 5.301 1.00 0.00 N ATOM 804 CA TYR A 52 4.502 0.307 6.205 1.00 0.00 C ATOM 805 C TYR A 52 3.680 -0.966 5.958 1.00 0.00 C ATOM 806 O TYR A 52 2.738 -1.278 6.715 1.00 0.00 O ATOM 807 CB TYR A 52 3.605 1.532 6.004 1.00 0.00 C ATOM 808 CG TYR A 52 4.239 2.851 6.410 1.00 0.00 C ATOM 809 CD1 TYR A 52 5.570 3.139 6.120 1.00 0.00 C ATOM 810 CD2 TYR A 52 3.495 3.815 7.077 1.00 0.00 C ATOM 811 CE1 TYR A 52 6.134 4.349 6.482 1.00 0.00 C ATOM 812 CE2 TYR A 52 4.055 5.020 7.446 1.00 0.00 C ATOM 813 CZ TYR A 52 5.370 5.282 7.146 1.00 0.00 C ATOM 814 OH TYR A 52 5.920 6.490 7.502 1.00 0.00 O ATOM 0 H TYR A 52 5.442 0.833 4.404 1.00 0.00 H new ATOM 0 HA TYR A 52 4.880 0.273 7.227 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.319 1.589 4.954 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.688 1.393 6.577 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.172 2.406 5.604 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.459 3.618 7.311 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.166 4.560 6.245 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.462 5.755 7.969 1.00 0.00 H new ATOM 0 HH TYR A 52 5.246 7.033 7.962 1.00 0.00 H new ATOM 824 N ILE A 53 4.103 -1.771 4.986 1.00 0.00 N ATOM 825 CA ILE A 53 3.415 -3.019 4.705 1.00 0.00 C ATOM 826 C ILE A 53 4.370 -4.092 4.194 1.00 0.00 C ATOM 827 O ILE A 53 5.489 -3.798 3.775 1.00 0.00 O ATOM 828 CB ILE A 53 2.275 -2.774 3.676 1.00 0.00 C ATOM 829 CG1 ILE A 53 2.332 -3.719 2.470 1.00 0.00 C ATOM 830 CG2 ILE A 53 2.282 -1.326 3.207 1.00 0.00 C ATOM 831 CD1 ILE A 53 3.408 -3.374 1.472 1.00 0.00 C ATOM 0 H ILE A 53 4.908 -1.581 4.389 1.00 0.00 H new ATOM 0 HA ILE A 53 2.988 -3.383 5.640 1.00 0.00 H new ATOM 0 HB ILE A 53 1.342 -2.988 4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.493 -4.737 2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.366 -3.707 1.966 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.478 -1.173 2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.135 -0.666 4.062 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.239 -1.101 2.735 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.384 -4.088 0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.237 -2.369 1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.382 -3.415 1.959 1.00 0.00 H new ATOM 843 N GLU A 54 3.901 -5.337 4.213 1.00 0.00 N ATOM 844 CA GLU A 54 4.654 -6.493 3.758 1.00 0.00 C ATOM 845 C GLU A 54 3.729 -7.466 3.024 1.00 0.00 C ATOM 846 O GLU A 54 2.526 -7.485 3.285 1.00 0.00 O ATOM 847 CB GLU A 54 5.272 -7.208 4.971 1.00 0.00 C ATOM 848 CG GLU A 54 6.193 -8.367 4.619 1.00 0.00 C ATOM 849 CD GLU A 54 7.663 -8.014 4.752 1.00 0.00 C ATOM 850 OE1 GLU A 54 8.188 -7.317 3.858 1.00 0.00 O ATOM 851 OE2 GLU A 54 8.290 -8.439 5.745 1.00 0.00 O ATOM 0 H GLU A 54 2.968 -5.571 4.553 1.00 0.00 H new ATOM 0 HA GLU A 54 5.440 -6.160 3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.832 -6.481 5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.468 -7.580 5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.968 -9.214 5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.992 -8.687 3.596 1.00 0.00 H new ATOM 858 N MET A 55 4.276 -8.309 2.161 1.00 0.00 N ATOM 859 CA MET A 55 3.452 -9.266 1.432 1.00 0.00 C ATOM 860 C MET A 55 2.670 -10.172 2.370 1.00 0.00 C ATOM 861 O MET A 55 3.234 -10.906 3.181 1.00 0.00 O ATOM 862 CB MET A 55 4.313 -10.114 0.486 1.00 0.00 C ATOM 863 CG MET A 55 5.166 -9.301 -0.480 1.00 0.00 C ATOM 864 SD MET A 55 6.920 -9.725 -0.398 1.00 0.00 S ATOM 865 CE MET A 55 7.031 -10.976 -1.678 1.00 0.00 C ATOM 0 H MET A 55 5.273 -8.352 1.949 1.00 0.00 H new ATOM 0 HA MET A 55 2.736 -8.690 0.846 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.966 -10.752 1.081 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.661 -10.772 -0.088 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.806 -9.460 -1.497 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.043 -8.240 -0.261 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.058 -11.336 -1.747 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.371 -11.808 -1.432 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.732 -10.546 -2.634 1.00 0.00 H new ATOM 875 N LYS A 56 1.350 -10.168 2.156 1.00 0.00 N ATOM 876 CA LYS A 56 0.422 -11.021 2.876 1.00 0.00 C ATOM 877 C LYS A 56 0.343 -12.349 2.140 1.00 0.00 C ATOM 878 O LYS A 56 -0.455 -13.221 2.475 1.00 0.00 O ATOM 879 CB LYS A 56 -0.992 -10.425 2.933 1.00 0.00 C ATOM 880 CG LYS A 56 -1.880 -11.034 4.009 1.00 0.00 C ATOM 881 CD LYS A 56 -1.335 -10.772 5.405 1.00 0.00 C ATOM 882 CE LYS A 56 -2.158 -11.486 6.466 1.00 0.00 C ATOM 883 NZ LYS A 56 -2.982 -10.537 7.264 1.00 0.00 N ATOM 0 H LYS A 56 0.900 -9.563 1.469 1.00 0.00 H new ATOM 0 HA LYS A 56 0.784 -11.132 3.898 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.916 -9.351 3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.471 -10.559 1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.885 -10.621 3.928 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.963 -12.109 3.847 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.299 -11.105 5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.336 -9.700 5.602 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.809 -12.218 5.988 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.493 -12.037 7.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.727 -11.061 7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.377 -10.048 7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.418 -9.838 6.630 1.00 0.00 H new ATOM 897 N ASN A 57 1.200 -12.473 1.134 1.00 0.00 N ATOM 898 CA ASN A 57 1.276 -13.675 0.321 1.00 0.00 C ATOM 899 C ASN A 57 2.525 -14.474 0.661 1.00 0.00 C ATOM 900 O ASN A 57 3.279 -14.862 -0.229 1.00 0.00 O ATOM 901 CB ASN A 57 1.283 -13.310 -1.163 1.00 0.00 C ATOM 902 CG ASN A 57 -0.028 -12.710 -1.619 1.00 0.00 C ATOM 903 OD1 ASN A 57 -0.853 -12.309 -0.801 1.00 0.00 O ATOM 904 ND2 ASN A 57 -0.225 -12.642 -2.931 1.00 0.00 N ATOM 0 H ASN A 57 1.859 -11.744 0.861 1.00 0.00 H new ATOM 0 HA ASN A 57 0.400 -14.288 0.534 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.089 -12.602 -1.356 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.495 -14.202 -1.752 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.090 -12.244 -3.297 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.489 -12.988 -3.572 1.00 0.00 H new ATOM 911 N HIS A 58 2.728 -14.748 1.944 1.00 0.00 N ATOM 912 CA HIS A 58 3.892 -15.516 2.365 1.00 0.00 C ATOM 913 C HIS A 58 3.696 -16.158 3.740 1.00 0.00 C ATOM 914 O HIS A 58 4.630 -16.727 4.302 1.00 0.00 O ATOM 915 CB HIS A 58 5.122 -14.602 2.352 1.00 0.00 C ATOM 916 CG HIS A 58 6.406 -15.333 2.100 1.00 0.00 C ATOM 917 ND1 HIS A 58 7.501 -14.750 1.498 1.00 0.00 N ATOM 918 CD2 HIS A 58 6.764 -16.612 2.370 1.00 0.00 C ATOM 919 CE1 HIS A 58 8.477 -15.638 1.409 1.00 0.00 C ATOM 920 NE2 HIS A 58 8.054 -16.774 1.931 1.00 0.00 N ATOM 0 H HIS A 58 2.111 -14.454 2.701 1.00 0.00 H new ATOM 0 HA HIS A 58 4.037 -16.338 1.664 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.990 -13.839 1.584 1.00 0.00 H new ATOM 0 HB3 HIS A 58 5.190 -14.083 3.308 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.149 -17.363 2.842 1.00 0.00 H new ATOM 0 HE1 HIS A 58 9.454 -15.463 0.982 1.00 0.00 H new ATOM 0 HE2 HIS A 58 8.598 -17.634 1.997 1.00 0.00 H new ATOM 929 N ASP A 59 2.478 -16.076 4.280 1.00 0.00 N ATOM 930 CA ASP A 59 2.176 -16.666 5.579 1.00 0.00 C ATOM 931 C ASP A 59 1.475 -18.006 5.396 1.00 0.00 C ATOM 932 O ASP A 59 0.776 -18.168 4.373 1.00 0.00 O ATOM 933 CB ASP A 59 1.297 -15.725 6.404 1.00 0.00 C ATOM 934 CG ASP A 59 1.998 -14.425 6.749 1.00 0.00 C ATOM 935 OD1 ASP A 59 2.678 -14.376 7.794 1.00 0.00 O ATOM 936 OD2 ASP A 59 1.863 -13.455 5.973 1.00 0.00 O ATOM 937 OXT ASP A 59 1.629 -18.882 6.271 1.00 0.00 O ATOM 0 H ASP A 59 1.688 -15.607 3.836 1.00 0.00 H new ATOM 0 HA ASP A 59 3.113 -16.825 6.113 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.385 -15.506 5.849 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.997 -16.227 7.324 1.00 0.00 H new TER 942 ASP A 59