USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 443 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ -155:sc= -0.125 (180deg=-1.22) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 5 GLN : amide:sc= -0.127 K(o=-0.13,f=-2.3!) USER MOD Single : A 7 MET CE :methyl -140:sc= -0.595 (180deg=-2.25!) USER MOD Single : A 9 HIS : no HD1:sc= -0.292 K(o=-0.29,f=-1.1) USER MOD Single : A 12 GLN : amide:sc= -0.0169 K(o=-0.017,f=-0.58) USER MOD Single : A 15 MET CE :methyl 154:sc= -0.448 (180deg=-2.14!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN :FLIP amide:sc= 0.249 F(o=-0.26,f=0.25) USER MOD Single : A 19 LYS NZ :NH3+ 138:sc= -0.302 (180deg=-0.519) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 135:sc= 0.152 (180deg=-1.31) USER MOD Single : A 30 GLN : amide:sc=-0.00575 X(o=-0.0058,f=-0.11) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 173:sc= 0 (180deg=-0.0324) USER MOD Single : A 39 ASN : amide:sc= -0.28 K(o=-0.28,f=-1.1) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 131:sc= 0.838 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 172:sc= 0 (180deg=-0.0719) USER MOD Single : A 50 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.374) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc=-0.00514 X(o=-0.0051,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -27.266 20.273 17.001 1.00 0.00 N ATOM 2 CA LYS A 1 -25.944 19.581 16.986 1.00 0.00 C ATOM 3 C LYS A 1 -25.403 19.447 18.413 1.00 0.00 C ATOM 4 O LYS A 1 -25.587 20.318 19.240 1.00 0.00 O ATOM 5 CB LYS A 1 -25.035 20.481 16.149 1.00 0.00 C ATOM 6 CG LYS A 1 -25.595 20.592 14.730 1.00 0.00 C ATOM 7 CD LYS A 1 -24.653 21.441 13.875 1.00 0.00 C ATOM 8 CE LYS A 1 -25.128 21.423 12.420 1.00 0.00 C ATOM 9 NZ LYS A 1 -23.988 21.983 11.639 1.00 0.00 N ATOM 0 H1 LYS A 1 -27.810 20.000 16.158 1.00 0.00 H new ATOM 0 H2 LYS A 1 -27.791 19.999 17.856 1.00 0.00 H new ATOM 0 H3 LYS A 1 -27.119 21.303 17.000 1.00 0.00 H new ATOM 0 HA LYS A 1 -26.009 18.574 16.575 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -24.966 21.470 16.603 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -24.025 20.072 16.122 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -25.705 19.600 14.293 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -26.587 21.042 14.753 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -24.629 22.465 14.248 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -23.636 21.054 13.942 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -25.370 20.411 12.096 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -26.029 22.023 12.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -24.236 22.004 10.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -23.785 22.949 11.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -23.147 21.387 11.777 1.00 0.00 H new ATOM 25 N ASN A 2 -24.738 18.364 18.706 1.00 0.00 N ATOM 26 CA ASN A 2 -24.187 18.175 20.079 1.00 0.00 C ATOM 27 C ASN A 2 -22.661 18.058 20.026 1.00 0.00 C ATOM 28 O ASN A 2 -22.105 17.483 19.112 1.00 0.00 O ATOM 29 CB ASN A 2 -24.806 16.870 20.578 1.00 0.00 C ATOM 30 CG ASN A 2 -26.330 17.000 20.590 1.00 0.00 C ATOM 31 OD1 ASN A 2 -26.861 18.036 20.936 1.00 0.00 O ATOM 32 ND2 ASN A 2 -27.062 15.983 20.224 1.00 0.00 N ATOM 0 H ASN A 2 -24.552 17.601 18.055 1.00 0.00 H new ATOM 0 HA ASN A 2 -24.419 19.014 20.735 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -24.506 16.043 19.934 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -24.442 16.642 21.580 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -28.079 16.059 20.229 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -26.617 15.113 19.933 1.00 0.00 H new ATOM 39 N GLU A 3 -21.980 18.598 21.000 1.00 0.00 N ATOM 40 CA GLU A 3 -20.491 18.515 21.004 1.00 0.00 C ATOM 41 C GLU A 3 -20.048 17.049 21.049 1.00 0.00 C ATOM 42 O GLU A 3 -18.977 16.699 20.596 1.00 0.00 O ATOM 43 CB GLU A 3 -20.056 19.248 22.273 1.00 0.00 C ATOM 44 CG GLU A 3 -20.578 20.685 22.234 1.00 0.00 C ATOM 45 CD GLU A 3 -19.935 21.493 23.364 1.00 0.00 C ATOM 46 OE1 GLU A 3 -19.375 20.880 24.257 1.00 0.00 O ATOM 47 OE2 GLU A 3 -20.014 22.710 23.315 1.00 0.00 O ATOM 0 H GLU A 3 -22.390 19.093 21.792 1.00 0.00 H new ATOM 0 HA GLU A 3 -20.048 18.955 20.110 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -20.441 18.733 23.153 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -18.969 19.246 22.353 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -20.348 21.141 21.271 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -21.663 20.692 22.339 1.00 0.00 H new ATOM 54 N ASP A 4 -20.870 16.191 21.589 1.00 0.00 N ATOM 55 CA ASP A 4 -20.501 14.748 21.661 1.00 0.00 C ATOM 56 C ASP A 4 -20.581 14.116 20.269 1.00 0.00 C ATOM 57 O ASP A 4 -20.225 12.970 20.073 1.00 0.00 O ATOM 58 CB ASP A 4 -21.539 14.123 22.589 1.00 0.00 C ATOM 59 CG ASP A 4 -21.248 14.537 24.032 1.00 0.00 C ATOM 60 OD1 ASP A 4 -20.145 14.993 24.286 1.00 0.00 O ATOM 61 OD2 ASP A 4 -22.133 14.393 24.860 1.00 0.00 O ATOM 0 H ASP A 4 -21.781 16.426 21.983 1.00 0.00 H new ATOM 0 HA ASP A 4 -19.484 14.597 22.024 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -22.540 14.445 22.302 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -21.516 13.037 22.499 1.00 0.00 H new ATOM 66 N GLN A 5 -21.038 14.859 19.300 1.00 0.00 N ATOM 67 CA GLN A 5 -21.133 14.310 17.917 1.00 0.00 C ATOM 68 C GLN A 5 -19.807 14.535 17.197 1.00 0.00 C ATOM 69 O GLN A 5 -19.318 13.684 16.482 1.00 0.00 O ATOM 70 CB GLN A 5 -22.254 15.106 17.247 1.00 0.00 C ATOM 71 CG GLN A 5 -22.625 14.446 15.918 1.00 0.00 C ATOM 72 CD GLN A 5 -24.018 14.911 15.489 1.00 0.00 C ATOM 73 OE1 GLN A 5 -24.830 15.281 16.315 1.00 0.00 O ATOM 74 NE2 GLN A 5 -24.332 14.909 14.222 1.00 0.00 N ATOM 0 H GLN A 5 -21.350 15.824 19.405 1.00 0.00 H new ATOM 0 HA GLN A 5 -21.340 13.240 17.899 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -23.126 15.147 17.900 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -21.933 16.134 17.078 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -21.892 14.705 15.154 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -22.608 13.361 16.021 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -23.651 14.599 13.528 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -25.258 15.218 13.926 1.00 0.00 H new ATOM 83 N GLU A 6 -19.217 15.675 17.406 1.00 0.00 N ATOM 84 CA GLU A 6 -17.906 15.969 16.766 1.00 0.00 C ATOM 85 C GLU A 6 -16.780 15.583 17.727 1.00 0.00 C ATOM 86 O GLU A 6 -15.615 15.605 17.383 1.00 0.00 O ATOM 87 CB GLU A 6 -17.914 17.479 16.520 1.00 0.00 C ATOM 88 CG GLU A 6 -19.183 17.866 15.760 1.00 0.00 C ATOM 89 CD GLU A 6 -19.166 17.219 14.373 1.00 0.00 C ATOM 90 OE1 GLU A 6 -18.180 16.575 14.054 1.00 0.00 O ATOM 91 OE2 GLU A 6 -20.139 17.379 13.655 1.00 0.00 O ATOM 0 H GLU A 6 -19.587 16.421 17.995 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.751 15.415 15.840 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.869 18.013 17.469 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.032 17.770 15.949 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -20.064 17.541 16.313 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -19.247 18.950 15.666 1.00 0.00 H new ATOM 98 N MET A 7 -17.130 15.227 18.935 1.00 0.00 N ATOM 99 CA MET A 7 -16.100 14.834 19.934 1.00 0.00 C ATOM 100 C MET A 7 -14.997 15.894 20.009 1.00 0.00 C ATOM 101 O MET A 7 -13.857 15.642 19.672 1.00 0.00 O ATOM 102 CB MET A 7 -15.537 13.507 19.425 1.00 0.00 C ATOM 103 CG MET A 7 -16.650 12.457 19.402 1.00 0.00 C ATOM 104 SD MET A 7 -16.131 11.050 18.387 1.00 0.00 S ATOM 105 CE MET A 7 -15.999 11.940 16.818 1.00 0.00 C ATOM 0 H MET A 7 -18.092 15.192 19.272 1.00 0.00 H new ATOM 0 HA MET A 7 -16.516 14.741 20.937 1.00 0.00 H new ATOM 0 HB2 MET A 7 -15.122 13.635 18.425 1.00 0.00 H new ATOM 0 HB3 MET A 7 -14.722 13.175 20.068 1.00 0.00 H new ATOM 0 HG2 MET A 7 -16.873 12.125 20.416 1.00 0.00 H new ATOM 0 HG3 MET A 7 -17.566 12.891 19.000 1.00 0.00 H new ATOM 0 HE1 MET A 7 -16.385 11.316 16.012 1.00 0.00 H new ATOM 0 HE2 MET A 7 -16.579 12.861 16.872 1.00 0.00 H new ATOM 0 HE3 MET A 7 -14.954 12.180 16.623 1.00 0.00 H new ATOM 115 N CYS A 8 -15.327 17.077 20.449 1.00 0.00 N ATOM 116 CA CYS A 8 -14.297 18.150 20.545 1.00 0.00 C ATOM 117 C CYS A 8 -14.675 19.148 21.643 1.00 0.00 C ATOM 118 O CYS A 8 -15.609 19.912 21.506 1.00 0.00 O ATOM 119 CB CYS A 8 -14.304 18.830 19.176 1.00 0.00 C ATOM 120 SG CYS A 8 -13.455 17.774 17.975 1.00 0.00 S ATOM 0 H CYS A 8 -16.265 17.347 20.746 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.313 17.757 20.799 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -15.329 19.014 18.854 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -13.810 19.800 19.237 1.00 0.00 H new ATOM 125 N HIS A 9 -13.954 19.147 22.730 1.00 0.00 N ATOM 126 CA HIS A 9 -14.272 20.095 23.836 1.00 0.00 C ATOM 127 C HIS A 9 -13.022 20.886 24.231 1.00 0.00 C ATOM 128 O HIS A 9 -13.041 22.098 24.311 1.00 0.00 O ATOM 129 CB HIS A 9 -14.736 19.213 24.995 1.00 0.00 C ATOM 130 CG HIS A 9 -15.859 18.326 24.531 1.00 0.00 C ATOM 131 ND1 HIS A 9 -15.633 17.072 23.985 1.00 0.00 N ATOM 132 CD2 HIS A 9 -17.221 18.497 24.526 1.00 0.00 C ATOM 133 CE1 HIS A 9 -16.831 16.543 23.677 1.00 0.00 C ATOM 134 NE2 HIS A 9 -17.833 17.371 23.986 1.00 0.00 N ATOM 0 H HIS A 9 -13.159 18.531 22.901 1.00 0.00 H new ATOM 0 HA HIS A 9 -15.031 20.823 23.549 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -13.907 18.607 25.360 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -15.068 19.833 25.828 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -17.739 19.373 24.887 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -16.966 15.567 23.234 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -18.832 17.212 23.854 1.00 0.00 H new ATOM 142 N GLU A 10 -11.934 20.208 24.477 1.00 0.00 N ATOM 143 CA GLU A 10 -10.683 20.921 24.867 1.00 0.00 C ATOM 144 C GLU A 10 -10.166 21.762 23.696 1.00 0.00 C ATOM 145 O GLU A 10 -9.796 22.907 23.859 1.00 0.00 O ATOM 146 CB GLU A 10 -9.689 19.814 25.214 1.00 0.00 C ATOM 147 CG GLU A 10 -10.063 19.199 26.566 1.00 0.00 C ATOM 148 CD GLU A 10 -10.004 20.277 27.650 1.00 0.00 C ATOM 149 OE1 GLU A 10 -9.301 21.254 27.450 1.00 0.00 O ATOM 150 OE2 GLU A 10 -10.664 20.107 28.662 1.00 0.00 O ATOM 0 H GLU A 10 -11.857 19.192 24.425 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.839 21.604 25.702 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.696 19.048 24.439 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.677 20.218 25.253 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.064 18.770 26.518 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.379 18.386 26.809 1.00 0.00 H new ATOM 157 N PHE A 11 -10.137 21.202 22.517 1.00 0.00 N ATOM 158 CA PHE A 11 -9.643 21.971 21.338 1.00 0.00 C ATOM 159 C PHE A 11 -10.497 23.221 21.125 1.00 0.00 C ATOM 160 O PHE A 11 -9.988 24.306 20.929 1.00 0.00 O ATOM 161 CB PHE A 11 -9.800 21.025 20.154 1.00 0.00 C ATOM 162 CG PHE A 11 -8.812 19.888 20.272 1.00 0.00 C ATOM 163 CD1 PHE A 11 -7.446 20.124 20.070 1.00 0.00 C ATOM 164 CD2 PHE A 11 -9.261 18.597 20.574 1.00 0.00 C ATOM 165 CE1 PHE A 11 -6.531 19.069 20.172 1.00 0.00 C ATOM 166 CE2 PHE A 11 -8.346 17.543 20.673 1.00 0.00 C ATOM 167 CZ PHE A 11 -6.982 17.780 20.472 1.00 0.00 C ATOM 0 H PHE A 11 -10.434 20.246 22.319 1.00 0.00 H new ATOM 0 HA PHE A 11 -8.613 22.302 21.469 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.817 20.633 20.122 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.637 21.565 19.221 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.099 21.119 19.836 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.314 18.414 20.731 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.477 19.251 20.019 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -8.693 16.547 20.905 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.276 16.966 20.549 1.00 0.00 H new ATOM 177 N GLN A 12 -11.795 23.082 21.158 1.00 0.00 N ATOM 178 CA GLN A 12 -12.669 24.272 20.956 1.00 0.00 C ATOM 179 C GLN A 12 -12.187 25.418 21.843 1.00 0.00 C ATOM 180 O GLN A 12 -12.198 26.568 21.453 1.00 0.00 O ATOM 181 CB GLN A 12 -14.068 23.822 21.372 1.00 0.00 C ATOM 182 CG GLN A 12 -15.031 25.004 21.253 1.00 0.00 C ATOM 183 CD GLN A 12 -16.417 24.495 20.850 1.00 0.00 C ATOM 184 OE1 GLN A 12 -16.796 23.394 21.197 1.00 0.00 O ATOM 185 NE2 GLN A 12 -17.193 25.254 20.127 1.00 0.00 N ATOM 0 H GLN A 12 -12.285 22.201 21.315 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.655 24.629 19.926 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.402 23.000 20.739 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.054 23.450 22.397 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -15.089 25.536 22.202 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -14.663 25.714 20.512 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.875 26.178 19.836 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.118 24.923 19.853 1.00 0.00 H new ATOM 194 N ALA A 13 -11.755 25.110 23.034 1.00 0.00 N ATOM 195 CA ALA A 13 -11.259 26.179 23.942 1.00 0.00 C ATOM 196 C ALA A 13 -9.938 26.732 23.407 1.00 0.00 C ATOM 197 O ALA A 13 -9.484 27.785 23.808 1.00 0.00 O ATOM 198 CB ALA A 13 -11.050 25.492 25.292 1.00 0.00 C ATOM 0 H ALA A 13 -11.724 24.165 23.417 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.952 27.016 24.022 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.683 26.219 26.017 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.996 25.078 25.640 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.321 24.689 25.183 1.00 0.00 H new ATOM 204 N PHE A 14 -9.318 26.026 22.498 1.00 0.00 N ATOM 205 CA PHE A 14 -8.029 26.508 21.932 1.00 0.00 C ATOM 206 C PHE A 14 -8.293 27.476 20.776 1.00 0.00 C ATOM 207 O PHE A 14 -7.414 27.781 19.996 1.00 0.00 O ATOM 208 CB PHE A 14 -7.321 25.247 21.433 1.00 0.00 C ATOM 209 CG PHE A 14 -7.051 24.310 22.592 1.00 0.00 C ATOM 210 CD1 PHE A 14 -7.263 24.733 23.912 1.00 0.00 C ATOM 211 CD2 PHE A 14 -6.585 23.013 22.342 1.00 0.00 C ATOM 212 CE1 PHE A 14 -7.010 23.859 24.977 1.00 0.00 C ATOM 213 CE2 PHE A 14 -6.332 22.140 23.407 1.00 0.00 C ATOM 214 CZ PHE A 14 -6.545 22.564 24.725 1.00 0.00 C ATOM 0 H PHE A 14 -9.651 25.137 22.125 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.427 27.047 22.664 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.937 24.746 20.686 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.384 25.515 20.946 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.621 25.733 24.108 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.421 22.686 21.326 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.174 24.185 25.993 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.973 21.140 23.212 1.00 0.00 H new ATOM 0 HZ PHE A 14 -6.350 21.891 25.547 1.00 0.00 H new ATOM 224 N MET A 15 -9.497 27.960 20.658 1.00 0.00 N ATOM 225 CA MET A 15 -9.812 28.909 19.556 1.00 0.00 C ATOM 226 C MET A 15 -9.467 30.337 19.980 1.00 0.00 C ATOM 227 O MET A 15 -10.287 31.052 20.520 1.00 0.00 O ATOM 228 CB MET A 15 -11.314 28.763 19.331 1.00 0.00 C ATOM 229 CG MET A 15 -11.609 27.347 18.842 1.00 0.00 C ATOM 230 SD MET A 15 -13.392 27.152 18.595 1.00 0.00 S ATOM 231 CE MET A 15 -13.605 28.499 17.405 1.00 0.00 C ATOM 0 H MET A 15 -10.277 27.739 21.277 1.00 0.00 H new ATOM 0 HA MET A 15 -9.243 28.700 18.650 1.00 0.00 H new ATOM 0 HB2 MET A 15 -11.854 28.962 20.257 1.00 0.00 H new ATOM 0 HB3 MET A 15 -11.658 29.493 18.598 1.00 0.00 H new ATOM 0 HG2 MET A 15 -11.079 27.155 17.909 1.00 0.00 H new ATOM 0 HG3 MET A 15 -11.250 26.618 19.568 1.00 0.00 H new ATOM 0 HE1 MET A 15 -14.473 28.296 16.777 1.00 0.00 H new ATOM 0 HE2 MET A 15 -13.756 29.437 17.940 1.00 0.00 H new ATOM 0 HE3 MET A 15 -12.715 28.577 16.780 1.00 0.00 H new ATOM 241 N LYS A 16 -8.258 30.753 19.740 1.00 0.00 N ATOM 242 CA LYS A 16 -7.853 32.135 20.128 1.00 0.00 C ATOM 243 C LYS A 16 -8.356 33.139 19.089 1.00 0.00 C ATOM 244 O LYS A 16 -7.805 33.265 18.014 1.00 0.00 O ATOM 245 CB LYS A 16 -6.323 32.110 20.152 1.00 0.00 C ATOM 246 CG LYS A 16 -5.797 33.475 20.599 1.00 0.00 C ATOM 247 CD LYS A 16 -4.296 33.562 20.313 1.00 0.00 C ATOM 248 CE LYS A 16 -3.755 34.898 20.824 1.00 0.00 C ATOM 249 NZ LYS A 16 -2.273 34.750 20.783 1.00 0.00 N ATOM 0 H LYS A 16 -7.530 30.197 19.291 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.269 32.434 21.090 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.972 31.333 20.831 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.937 31.866 19.162 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.325 34.270 20.073 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.984 33.618 21.663 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.774 32.737 20.798 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.113 33.469 19.242 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.087 35.725 20.197 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.104 35.105 21.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.827 35.627 21.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.986 33.959 21.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.970 34.560 19.806 1.00 0.00 H new ATOM 263 N ASN A 17 -9.404 33.852 19.399 1.00 0.00 N ATOM 264 CA ASN A 17 -9.945 34.842 18.425 1.00 0.00 C ATOM 265 C ASN A 17 -10.245 34.150 17.093 1.00 0.00 C ATOM 266 O ASN A 17 -9.704 34.502 16.064 1.00 0.00 O ATOM 267 CB ASN A 17 -8.836 35.879 18.255 1.00 0.00 C ATOM 268 CG ASN A 17 -9.416 37.147 17.627 1.00 0.00 C ATOM 269 OD1 ASN A 17 -9.285 38.287 18.248 1.00 0.00 O flip ATOM 270 ND2 ASN A 17 -9.996 37.100 16.560 1.00 0.00 N flip ATOM 0 H ASN A 17 -9.909 33.792 20.283 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.875 35.298 18.766 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.389 36.111 19.222 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.042 35.478 17.625 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.099 36.209 16.074 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.380 37.952 16.150 1.00 0.00 H new ATOM 277 N GLY A 18 -11.098 33.163 17.107 1.00 0.00 N ATOM 278 CA GLY A 18 -11.426 32.446 15.843 1.00 0.00 C ATOM 279 C GLY A 18 -10.164 31.768 15.307 1.00 0.00 C ATOM 280 O GLY A 18 -10.061 31.464 14.135 1.00 0.00 O ATOM 0 H GLY A 18 -11.581 32.822 17.938 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.203 31.704 16.023 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.819 33.146 15.105 1.00 0.00 H new ATOM 284 N LYS A 19 -9.201 31.532 16.157 1.00 0.00 N ATOM 285 CA LYS A 19 -7.944 30.879 15.698 1.00 0.00 C ATOM 286 C LYS A 19 -7.649 29.644 16.552 1.00 0.00 C ATOM 287 O LYS A 19 -7.073 29.736 17.617 1.00 0.00 O ATOM 288 CB LYS A 19 -6.863 31.940 15.896 1.00 0.00 C ATOM 289 CG LYS A 19 -5.655 31.611 15.016 1.00 0.00 C ATOM 290 CD LYS A 19 -4.919 30.397 15.586 1.00 0.00 C ATOM 291 CE LYS A 19 -3.638 30.157 14.784 1.00 0.00 C ATOM 292 NZ LYS A 19 -2.960 29.027 15.480 1.00 0.00 N ATOM 0 H LYS A 19 -9.232 31.764 17.150 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.002 30.540 14.664 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.254 32.925 15.641 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.563 31.978 16.943 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.981 31.405 13.996 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.982 32.468 14.969 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.678 30.564 16.636 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.559 29.516 15.542 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.862 29.906 13.747 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.009 31.047 14.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.578 28.364 14.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.183 29.396 16.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.645 28.531 16.086 1.00 0.00 H new ATOM 306 N LEU A 20 -8.038 28.487 16.091 1.00 0.00 N ATOM 307 CA LEU A 20 -7.779 27.244 16.873 1.00 0.00 C ATOM 308 C LEU A 20 -6.293 26.874 16.796 1.00 0.00 C ATOM 309 O LEU A 20 -5.807 26.443 15.770 1.00 0.00 O ATOM 310 CB LEU A 20 -8.645 26.174 16.202 1.00 0.00 C ATOM 311 CG LEU A 20 -8.116 24.777 16.544 1.00 0.00 C ATOM 312 CD1 LEU A 20 -8.051 24.613 18.064 1.00 0.00 C ATOM 313 CD2 LEU A 20 -9.051 23.718 15.956 1.00 0.00 C ATOM 0 H LEU A 20 -8.525 28.348 15.205 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.019 27.355 17.930 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.679 26.271 16.534 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.642 26.318 15.122 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.118 24.654 16.123 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.675 23.619 18.307 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.384 25.366 18.483 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.048 24.737 18.486 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.674 22.725 16.199 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.049 23.841 16.376 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.096 23.834 14.873 1.00 0.00 H new ATOM 325 N PHE A 21 -5.570 27.031 17.873 1.00 0.00 N ATOM 326 CA PHE A 21 -4.120 26.675 17.844 1.00 0.00 C ATOM 327 C PHE A 21 -3.916 25.258 18.388 1.00 0.00 C ATOM 328 O PHE A 21 -3.481 25.060 19.503 1.00 0.00 O ATOM 329 CB PHE A 21 -3.399 27.718 18.715 1.00 0.00 C ATOM 330 CG PHE A 21 -4.079 27.872 20.059 1.00 0.00 C ATOM 331 CD1 PHE A 21 -3.691 27.068 21.139 1.00 0.00 C ATOM 332 CD2 PHE A 21 -5.085 28.831 20.230 1.00 0.00 C ATOM 333 CE1 PHE A 21 -4.313 27.220 22.385 1.00 0.00 C ATOM 334 CE2 PHE A 21 -5.706 28.982 21.477 1.00 0.00 C ATOM 335 CZ PHE A 21 -5.320 28.177 22.553 1.00 0.00 C ATOM 0 H PHE A 21 -5.916 27.387 18.764 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.722 26.685 16.829 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.361 27.419 18.862 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.384 28.678 18.200 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.912 26.331 21.011 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.382 29.455 19.400 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.015 26.598 23.216 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.483 29.721 21.607 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.799 28.294 23.514 1.00 0.00 H new ATOM 345 N CYS A 22 -4.232 24.270 17.597 1.00 0.00 N ATOM 346 CA CYS A 22 -4.066 22.858 18.046 1.00 0.00 C ATOM 347 C CYS A 22 -2.608 22.558 18.437 1.00 0.00 C ATOM 348 O CYS A 22 -2.366 21.971 19.472 1.00 0.00 O ATOM 349 CB CYS A 22 -4.479 22.010 16.842 1.00 0.00 C ATOM 350 SG CYS A 22 -5.494 20.621 17.403 1.00 0.00 S ATOM 0 H CYS A 22 -4.601 24.381 16.652 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.666 22.648 18.931 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.037 22.618 16.130 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.594 21.642 16.322 1.00 0.00 H new ATOM 355 N PRO A 23 -1.677 22.951 17.597 1.00 0.00 N ATOM 356 CA PRO A 23 -0.245 22.688 17.882 1.00 0.00 C ATOM 357 C PRO A 23 0.200 23.404 19.161 1.00 0.00 C ATOM 358 O PRO A 23 0.755 24.484 19.120 1.00 0.00 O ATOM 359 CB PRO A 23 0.458 23.259 16.648 1.00 0.00 C ATOM 360 CG PRO A 23 -0.608 23.825 15.690 1.00 0.00 C ATOM 361 CD PRO A 23 -1.989 23.671 16.338 1.00 0.00 C ATOM 0 HA PRO A 23 -0.022 21.635 18.051 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.158 24.042 16.940 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.039 22.482 16.151 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.406 24.875 15.479 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.577 23.296 14.737 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.457 24.637 16.529 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.673 23.104 15.706 1.00 0.00 H new ATOM 369 N GLN A 24 -0.035 22.802 20.294 1.00 0.00 N ATOM 370 CA GLN A 24 0.377 23.433 21.581 1.00 0.00 C ATOM 371 C GLN A 24 1.275 22.475 22.366 1.00 0.00 C ATOM 372 O GLN A 24 2.482 22.608 22.382 1.00 0.00 O ATOM 373 CB GLN A 24 -0.927 23.686 22.337 1.00 0.00 C ATOM 374 CG GLN A 24 -0.616 23.993 23.804 1.00 0.00 C ATOM 375 CD GLN A 24 -1.921 24.052 24.601 1.00 0.00 C ATOM 376 OE1 GLN A 24 -2.406 25.120 24.917 1.00 0.00 O ATOM 377 NE2 GLN A 24 -2.514 22.940 24.939 1.00 0.00 N ATOM 0 H GLN A 24 -0.496 21.897 20.385 1.00 0.00 H new ATOM 0 HA GLN A 24 0.942 24.353 21.430 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.465 24.520 21.886 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.576 22.813 22.267 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.040 23.226 24.216 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.086 24.942 23.883 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.106 22.043 24.673 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.385 22.967 25.469 1.00 0.00 H new ATOM 386 N ASP A 25 0.689 21.509 23.015 1.00 0.00 N ATOM 387 CA ASP A 25 1.499 20.535 23.801 1.00 0.00 C ATOM 388 C ASP A 25 1.097 19.104 23.432 1.00 0.00 C ATOM 389 O ASP A 25 0.428 18.422 24.181 1.00 0.00 O ATOM 390 CB ASP A 25 1.160 20.830 25.263 1.00 0.00 C ATOM 391 CG ASP A 25 2.254 20.258 26.166 1.00 0.00 C ATOM 392 OD1 ASP A 25 3.102 19.543 25.657 1.00 0.00 O ATOM 393 OD2 ASP A 25 2.228 20.546 27.351 1.00 0.00 O ATOM 0 H ASP A 25 -0.318 21.351 23.036 1.00 0.00 H new ATOM 0 HA ASP A 25 2.567 20.627 23.606 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.072 21.905 25.417 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.196 20.391 25.519 1.00 0.00 H new ATOM 398 N LYS A 26 1.497 18.646 22.276 1.00 0.00 N ATOM 399 CA LYS A 26 1.133 17.263 21.851 1.00 0.00 C ATOM 400 C LYS A 26 1.810 16.222 22.750 1.00 0.00 C ATOM 401 O LYS A 26 1.565 15.037 22.629 1.00 0.00 O ATOM 402 CB LYS A 26 1.644 17.145 20.415 1.00 0.00 C ATOM 403 CG LYS A 26 0.504 17.452 19.440 1.00 0.00 C ATOM 404 CD LYS A 26 1.060 17.556 18.019 1.00 0.00 C ATOM 405 CE LYS A 26 0.317 18.658 17.262 1.00 0.00 C ATOM 406 NZ LYS A 26 0.454 18.293 15.824 1.00 0.00 N ATOM 0 H LYS A 26 2.061 19.170 21.607 1.00 0.00 H new ATOM 0 HA LYS A 26 0.060 17.083 21.923 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.471 17.837 20.254 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.029 16.141 20.236 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.252 16.668 19.489 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.014 18.385 19.719 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.127 17.776 18.049 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.946 16.604 17.501 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.730 18.705 17.560 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.750 19.638 17.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.031 19.002 15.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.462 18.262 15.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.027 17.359 15.661 1.00 0.00 H new ATOM 420 N LYS A 27 2.656 16.647 23.651 1.00 0.00 N ATOM 421 CA LYS A 27 3.338 15.673 24.552 1.00 0.00 C ATOM 422 C LYS A 27 2.342 14.615 25.039 1.00 0.00 C ATOM 423 O LYS A 27 2.710 13.500 25.355 1.00 0.00 O ATOM 424 CB LYS A 27 3.852 16.512 25.721 1.00 0.00 C ATOM 425 CG LYS A 27 5.160 17.196 25.320 1.00 0.00 C ATOM 426 CD LYS A 27 5.641 18.091 26.464 1.00 0.00 C ATOM 427 CE LYS A 27 6.775 18.988 25.966 1.00 0.00 C ATOM 428 NZ LYS A 27 6.128 19.924 25.004 1.00 0.00 N ATOM 0 H LYS A 27 2.904 17.625 23.802 1.00 0.00 H new ATOM 0 HA LYS A 27 4.144 15.138 24.051 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.109 17.259 26.001 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.013 15.879 26.594 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.917 16.447 25.087 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.010 17.790 24.418 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.817 18.700 26.835 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.986 17.480 27.298 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.242 19.528 26.789 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.558 18.404 25.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.464 20.892 25.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.372 19.646 24.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.096 19.888 25.126 1.00 0.00 H new ATOM 442 N PHE A 28 1.083 14.954 25.093 1.00 0.00 N ATOM 443 CA PHE A 28 0.059 13.970 25.549 1.00 0.00 C ATOM 444 C PHE A 28 0.174 12.675 24.737 1.00 0.00 C ATOM 445 O PHE A 28 -0.306 11.633 25.137 1.00 0.00 O ATOM 446 CB PHE A 28 -1.282 14.657 25.284 1.00 0.00 C ATOM 447 CG PHE A 28 -1.277 16.031 25.912 1.00 0.00 C ATOM 448 CD1 PHE A 28 -0.940 16.181 27.263 1.00 0.00 C ATOM 449 CD2 PHE A 28 -1.612 17.154 25.146 1.00 0.00 C ATOM 450 CE1 PHE A 28 -0.937 17.453 27.847 1.00 0.00 C ATOM 451 CE2 PHE A 28 -1.611 18.426 25.731 1.00 0.00 C ATOM 452 CZ PHE A 28 -1.273 18.576 27.081 1.00 0.00 C ATOM 0 H PHE A 28 0.718 15.872 24.840 1.00 0.00 H new ATOM 0 HA PHE A 28 0.178 13.696 26.597 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.456 14.737 24.211 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.096 14.060 25.696 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.682 15.315 27.854 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.871 17.039 24.104 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.676 17.568 28.888 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.871 19.292 25.140 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.271 19.557 27.532 1.00 0.00 H new ATOM 462 N PHE A 29 0.809 12.736 23.598 1.00 0.00 N ATOM 463 CA PHE A 29 0.962 11.516 22.752 1.00 0.00 C ATOM 464 C PHE A 29 1.631 10.389 23.549 1.00 0.00 C ATOM 465 O PHE A 29 1.565 9.234 23.183 1.00 0.00 O ATOM 466 CB PHE A 29 1.856 11.965 21.592 1.00 0.00 C ATOM 467 CG PHE A 29 2.255 10.773 20.751 1.00 0.00 C ATOM 468 CD1 PHE A 29 3.149 9.823 21.259 1.00 0.00 C ATOM 469 CD2 PHE A 29 1.733 10.622 19.460 1.00 0.00 C ATOM 470 CE1 PHE A 29 3.520 8.722 20.478 1.00 0.00 C ATOM 471 CE2 PHE A 29 2.105 9.521 18.679 1.00 0.00 C ATOM 472 CZ PHE A 29 2.998 8.571 19.188 1.00 0.00 C ATOM 0 H PHE A 29 1.231 13.582 23.215 1.00 0.00 H new ATOM 0 HA PHE A 29 0.005 11.124 22.409 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.328 12.693 20.977 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.746 12.461 21.980 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.553 9.940 22.254 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.044 11.355 19.067 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.209 7.989 20.871 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.703 9.405 17.683 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.284 7.722 18.586 1.00 0.00 H new ATOM 482 N GLN A 30 2.276 10.717 24.635 1.00 0.00 N ATOM 483 CA GLN A 30 2.956 9.665 25.448 1.00 0.00 C ATOM 484 C GLN A 30 1.936 8.675 26.020 1.00 0.00 C ATOM 485 O GLN A 30 2.292 7.628 26.522 1.00 0.00 O ATOM 486 CB GLN A 30 3.652 10.426 26.577 1.00 0.00 C ATOM 487 CG GLN A 30 4.910 11.106 26.033 1.00 0.00 C ATOM 488 CD GLN A 30 5.934 11.261 27.159 1.00 0.00 C ATOM 489 OE1 GLN A 30 6.343 10.288 27.762 1.00 0.00 O ATOM 490 NE2 GLN A 30 6.368 12.451 27.470 1.00 0.00 N ATOM 0 H GLN A 30 2.362 11.667 24.996 1.00 0.00 H new ATOM 0 HA GLN A 30 3.656 9.080 24.851 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.977 11.170 26.999 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.915 9.741 27.383 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.333 10.515 25.221 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.658 12.082 25.619 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.025 13.267 26.964 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.051 12.565 28.219 1.00 0.00 H new ATOM 499 N SER A 31 0.672 8.996 25.957 1.00 0.00 N ATOM 500 CA SER A 31 -0.355 8.063 26.508 1.00 0.00 C ATOM 501 C SER A 31 -1.512 7.888 25.520 1.00 0.00 C ATOM 502 O SER A 31 -1.787 8.752 24.710 1.00 0.00 O ATOM 503 CB SER A 31 -0.846 8.730 27.793 1.00 0.00 C ATOM 504 OG SER A 31 -2.025 8.080 28.243 1.00 0.00 O ATOM 0 H SER A 31 0.307 9.858 25.551 1.00 0.00 H new ATOM 0 HA SER A 31 0.053 7.069 26.690 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.074 8.678 28.560 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.046 9.786 27.614 1.00 0.00 H new ATOM 0 HG SER A 31 -2.339 8.506 29.068 1.00 0.00 H new ATOM 510 N LEU A 32 -2.195 6.776 25.584 1.00 0.00 N ATOM 511 CA LEU A 32 -3.337 6.546 24.653 1.00 0.00 C ATOM 512 C LEU A 32 -4.411 7.610 24.872 1.00 0.00 C ATOM 513 O LEU A 32 -5.098 8.016 23.956 1.00 0.00 O ATOM 514 CB LEU A 32 -3.879 5.167 25.022 1.00 0.00 C ATOM 515 CG LEU A 32 -4.571 4.555 23.804 1.00 0.00 C ATOM 516 CD1 LEU A 32 -5.222 3.227 24.200 1.00 0.00 C ATOM 517 CD2 LEU A 32 -5.645 5.516 23.290 1.00 0.00 C ATOM 0 H LEU A 32 -2.011 6.017 26.241 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.034 6.600 23.607 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.067 4.521 25.356 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.582 5.249 25.851 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.835 4.379 23.019 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.715 2.790 23.332 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.457 2.542 24.565 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.957 3.402 24.985 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.138 5.080 22.422 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.381 5.693 24.075 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.182 6.461 23.007 1.00 0.00 H new ATOM 529 N ASP A 33 -4.555 8.067 26.081 1.00 0.00 N ATOM 530 CA ASP A 33 -5.577 9.112 26.361 1.00 0.00 C ATOM 531 C ASP A 33 -5.013 10.489 26.017 1.00 0.00 C ATOM 532 O ASP A 33 -5.694 11.328 25.461 1.00 0.00 O ATOM 533 CB ASP A 33 -5.863 9.000 27.859 1.00 0.00 C ATOM 534 CG ASP A 33 -6.558 7.668 28.147 1.00 0.00 C ATOM 535 OD1 ASP A 33 -7.092 7.086 27.216 1.00 0.00 O ATOM 536 OD2 ASP A 33 -6.545 7.250 29.293 1.00 0.00 O ATOM 0 H ASP A 33 -4.010 7.763 26.888 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.484 8.980 25.770 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.933 9.067 28.424 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.493 9.829 28.183 1.00 0.00 H new ATOM 541 N GLY A 34 -3.768 10.725 26.329 1.00 0.00 N ATOM 542 CA GLY A 34 -3.165 12.043 26.003 1.00 0.00 C ATOM 543 C GLY A 34 -2.929 12.112 24.497 1.00 0.00 C ATOM 544 O GLY A 34 -3.036 13.158 23.890 1.00 0.00 O ATOM 0 H GLY A 34 -3.146 10.063 26.794 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.826 12.850 26.320 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.225 12.172 26.539 1.00 0.00 H new ATOM 548 N ILE A 35 -2.622 11.000 23.887 1.00 0.00 N ATOM 549 CA ILE A 35 -2.396 11.000 22.414 1.00 0.00 C ATOM 550 C ILE A 35 -3.735 11.129 21.697 1.00 0.00 C ATOM 551 O ILE A 35 -3.867 11.845 20.725 1.00 0.00 O ATOM 552 CB ILE A 35 -1.744 9.650 22.100 1.00 0.00 C ATOM 553 CG1 ILE A 35 -1.035 9.744 20.737 1.00 0.00 C ATOM 554 CG2 ILE A 35 -2.814 8.551 22.073 1.00 0.00 C ATOM 555 CD1 ILE A 35 -0.994 8.374 20.049 1.00 0.00 C ATOM 0 H ILE A 35 -2.518 10.094 24.343 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.767 11.829 22.088 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.014 9.401 22.870 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.554 10.460 20.100 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.020 10.117 20.875 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.346 7.593 21.849 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.305 8.497 23.045 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.553 8.782 21.306 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.488 8.465 19.088 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.453 7.667 20.678 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.011 8.015 19.892 1.00 0.00 H new ATOM 567 N MET A 36 -4.728 10.432 22.178 1.00 0.00 N ATOM 568 CA MET A 36 -6.069 10.505 21.534 1.00 0.00 C ATOM 569 C MET A 36 -6.376 11.946 21.134 1.00 0.00 C ATOM 570 O MET A 36 -6.907 12.206 20.072 1.00 0.00 O ATOM 571 CB MET A 36 -7.055 10.031 22.598 1.00 0.00 C ATOM 572 CG MET A 36 -7.395 8.559 22.358 1.00 0.00 C ATOM 573 SD MET A 36 -8.266 7.898 23.801 1.00 0.00 S ATOM 574 CE MET A 36 -9.903 8.555 23.398 1.00 0.00 C ATOM 0 H MET A 36 -4.668 9.816 22.989 1.00 0.00 H new ATOM 0 HA MET A 36 -6.124 9.897 20.631 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.624 10.159 23.591 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.962 10.635 22.564 1.00 0.00 H new ATOM 0 HG2 MET A 36 -8.016 8.459 21.468 1.00 0.00 H new ATOM 0 HG3 MET A 36 -6.484 7.989 22.177 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.637 8.161 24.101 1.00 0.00 H new ATOM 0 HE2 MET A 36 -9.885 9.643 23.465 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.175 8.258 22.385 1.00 0.00 H new ATOM 584 N PHE A 37 -6.041 12.889 21.973 1.00 0.00 N ATOM 585 CA PHE A 37 -6.312 14.308 21.622 1.00 0.00 C ATOM 586 C PHE A 37 -5.767 14.586 20.214 1.00 0.00 C ATOM 587 O PHE A 37 -6.408 15.229 19.409 1.00 0.00 O ATOM 588 CB PHE A 37 -5.614 15.134 22.725 1.00 0.00 C ATOM 589 CG PHE A 37 -4.416 15.885 22.188 1.00 0.00 C ATOM 590 CD1 PHE A 37 -3.230 15.201 21.904 1.00 0.00 C ATOM 591 CD2 PHE A 37 -4.492 17.268 21.982 1.00 0.00 C ATOM 592 CE1 PHE A 37 -2.122 15.896 21.412 1.00 0.00 C ATOM 593 CE2 PHE A 37 -3.383 17.962 21.489 1.00 0.00 C ATOM 594 CZ PHE A 37 -2.199 17.275 21.204 1.00 0.00 C ATOM 0 H PHE A 37 -5.595 12.738 22.878 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.371 14.564 21.587 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.324 15.841 23.155 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.297 14.471 23.530 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.170 14.135 22.065 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.406 17.798 22.204 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.206 15.367 21.193 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.441 19.028 21.328 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.343 17.811 20.822 1.00 0.00 H new ATOM 604 N ILE A 38 -4.602 14.082 19.898 1.00 0.00 N ATOM 605 CA ILE A 38 -4.049 14.299 18.531 1.00 0.00 C ATOM 606 C ILE A 38 -5.078 13.848 17.494 1.00 0.00 C ATOM 607 O ILE A 38 -5.351 14.534 16.530 1.00 0.00 O ATOM 608 CB ILE A 38 -2.799 13.422 18.450 1.00 0.00 C ATOM 609 CG1 ILE A 38 -1.764 13.904 19.467 1.00 0.00 C ATOM 610 CG2 ILE A 38 -2.210 13.509 17.041 1.00 0.00 C ATOM 611 CD1 ILE A 38 -0.454 13.135 19.279 1.00 0.00 C ATOM 0 H ILE A 38 -4.014 13.533 20.525 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.815 15.346 18.339 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.066 12.389 18.672 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.590 14.973 19.343 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.140 13.757 20.479 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.319 12.885 16.980 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.947 13.161 16.317 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.945 14.543 16.821 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.280 13.483 20.006 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.633 12.070 19.425 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.074 13.304 18.271 1.00 0.00 H new ATOM 623 N ASN A 39 -5.651 12.695 17.697 1.00 0.00 N ATOM 624 CA ASN A 39 -6.671 12.188 16.734 1.00 0.00 C ATOM 625 C ASN A 39 -7.833 13.175 16.639 1.00 0.00 C ATOM 626 O ASN A 39 -8.434 13.346 15.597 1.00 0.00 O ATOM 627 CB ASN A 39 -7.141 10.856 17.321 1.00 0.00 C ATOM 628 CG ASN A 39 -6.001 9.838 17.252 1.00 0.00 C ATOM 629 OD1 ASN A 39 -5.200 9.866 16.340 1.00 0.00 O ATOM 630 ND2 ASN A 39 -5.894 8.931 18.186 1.00 0.00 N ATOM 0 H ASN A 39 -5.458 12.081 18.488 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.271 12.068 15.727 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.458 10.994 18.355 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.006 10.488 16.769 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.138 8.247 18.149 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.566 8.907 18.953 1.00 0.00 H new ATOM 637 N LYS A 40 -8.150 13.830 17.721 1.00 0.00 N ATOM 638 CA LYS A 40 -9.270 14.814 17.697 1.00 0.00 C ATOM 639 C LYS A 40 -8.736 16.204 17.343 1.00 0.00 C ATOM 640 O LYS A 40 -9.449 17.044 16.833 1.00 0.00 O ATOM 641 CB LYS A 40 -9.839 14.803 19.117 1.00 0.00 C ATOM 642 CG LYS A 40 -10.583 13.487 19.357 1.00 0.00 C ATOM 643 CD LYS A 40 -11.098 13.447 20.796 1.00 0.00 C ATOM 644 CE LYS A 40 -11.288 11.992 21.230 1.00 0.00 C ATOM 645 NZ LYS A 40 -12.382 12.034 22.242 1.00 0.00 N ATOM 0 H LYS A 40 -7.682 13.727 18.622 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.028 14.563 16.955 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.035 14.916 19.844 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.515 15.646 19.256 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.415 13.395 18.659 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.918 12.643 19.174 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.392 13.946 21.460 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.042 13.986 20.871 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.556 11.359 20.384 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.371 11.584 21.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.572 11.072 22.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.095 12.639 23.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.243 12.421 21.806 1.00 0.00 H new ATOM 659 N CYS A 41 -7.483 16.450 17.609 1.00 0.00 N ATOM 660 CA CYS A 41 -6.895 17.781 17.286 1.00 0.00 C ATOM 661 C CYS A 41 -7.212 18.161 15.839 1.00 0.00 C ATOM 662 O CYS A 41 -8.059 18.992 15.572 1.00 0.00 O ATOM 663 CB CYS A 41 -5.389 17.596 17.474 1.00 0.00 C ATOM 664 SG CYS A 41 -4.503 18.993 16.736 1.00 0.00 S ATOM 0 H CYS A 41 -6.839 15.785 18.037 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.293 18.576 17.916 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.152 17.523 18.535 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -5.067 16.663 17.010 1.00 0.00 H new ATOM 669 N ALA A 42 -6.536 17.557 14.903 1.00 0.00 N ATOM 670 CA ALA A 42 -6.791 17.879 13.470 1.00 0.00 C ATOM 671 C ALA A 42 -8.282 17.746 13.157 1.00 0.00 C ATOM 672 O ALA A 42 -8.844 18.530 12.418 1.00 0.00 O ATOM 673 CB ALA A 42 -5.983 16.846 12.682 1.00 0.00 C ATOM 0 H ALA A 42 -5.817 16.853 15.068 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.503 18.900 13.218 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.118 17.016 11.614 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.927 16.941 12.934 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.328 15.844 12.936 1.00 0.00 H new ATOM 679 N THR A 43 -8.930 16.761 13.717 1.00 0.00 N ATOM 680 CA THR A 43 -10.385 16.583 13.454 1.00 0.00 C ATOM 681 C THR A 43 -11.160 17.802 13.959 1.00 0.00 C ATOM 682 O THR A 43 -11.825 18.482 13.204 1.00 0.00 O ATOM 683 CB THR A 43 -10.780 15.331 14.238 1.00 0.00 C ATOM 684 OG1 THR A 43 -9.832 14.302 13.990 1.00 0.00 O ATOM 685 CG2 THR A 43 -12.168 14.866 13.795 1.00 0.00 C ATOM 0 H THR A 43 -8.514 16.073 14.345 1.00 0.00 H new ATOM 0 HA THR A 43 -10.606 16.482 12.392 1.00 0.00 H new ATOM 0 HB THR A 43 -10.800 15.559 15.304 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.545 13.910 14.841 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.448 13.974 14.354 1.00 0.00 H new ATOM 0 HG22 THR A 43 -12.894 15.656 13.985 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.152 14.636 12.730 1.00 0.00 H new ATOM 693 N CYS A 44 -11.074 18.090 15.228 1.00 0.00 N ATOM 694 CA CYS A 44 -11.802 19.270 15.771 1.00 0.00 C ATOM 695 C CYS A 44 -11.627 20.465 14.833 1.00 0.00 C ATOM 696 O CYS A 44 -12.561 21.188 14.551 1.00 0.00 O ATOM 697 CB CYS A 44 -11.153 19.550 17.128 1.00 0.00 C ATOM 698 SG CYS A 44 -11.496 18.179 18.259 1.00 0.00 S ATOM 0 H CYS A 44 -10.532 17.560 15.911 1.00 0.00 H new ATOM 0 HA CYS A 44 -12.873 19.091 15.866 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -10.077 19.676 17.009 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.539 20.482 17.542 1.00 0.00 H new ATOM 703 N LYS A 45 -10.436 20.675 14.344 1.00 0.00 N ATOM 704 CA LYS A 45 -10.203 21.820 13.421 1.00 0.00 C ATOM 705 C LYS A 45 -11.211 21.784 12.269 1.00 0.00 C ATOM 706 O LYS A 45 -11.783 22.790 11.901 1.00 0.00 O ATOM 707 CB LYS A 45 -8.780 21.624 12.897 1.00 0.00 C ATOM 708 CG LYS A 45 -8.492 22.652 11.801 1.00 0.00 C ATOM 709 CD LYS A 45 -7.582 22.026 10.743 1.00 0.00 C ATOM 710 CE LYS A 45 -7.292 23.055 9.648 1.00 0.00 C ATOM 711 NZ LYS A 45 -6.126 22.501 8.904 1.00 0.00 N ATOM 0 H LYS A 45 -9.615 20.104 14.544 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.324 22.783 13.918 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.063 21.734 13.711 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.662 20.614 12.503 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.424 22.984 11.344 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.016 23.534 12.230 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.650 21.693 11.200 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.059 21.145 10.313 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.153 23.188 8.992 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.062 24.032 10.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.865 23.150 8.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.321 22.391 9.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.377 21.574 8.505 1.00 0.00 H new ATOM 725 N MET A 46 -11.435 20.632 11.694 1.00 0.00 N ATOM 726 CA MET A 46 -12.408 20.544 10.568 1.00 0.00 C ATOM 727 C MET A 46 -13.836 20.680 11.098 1.00 0.00 C ATOM 728 O MET A 46 -14.741 21.060 10.382 1.00 0.00 O ATOM 729 CB MET A 46 -12.178 19.165 9.940 1.00 0.00 C ATOM 730 CG MET A 46 -12.746 18.063 10.840 1.00 0.00 C ATOM 731 SD MET A 46 -13.920 17.060 9.895 1.00 0.00 S ATOM 732 CE MET A 46 -12.709 16.223 8.842 1.00 0.00 C ATOM 0 H MET A 46 -10.988 19.753 11.954 1.00 0.00 H new ATOM 0 HA MET A 46 -12.269 21.339 9.836 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.652 19.122 8.959 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.111 19.003 9.786 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.939 17.437 11.220 1.00 0.00 H new ATOM 0 HG3 MET A 46 -13.241 18.504 11.705 1.00 0.00 H new ATOM 0 HE1 MET A 46 -13.206 15.442 8.267 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.259 16.945 8.160 1.00 0.00 H new ATOM 0 HE3 MET A 46 -11.932 15.778 9.464 1.00 0.00 H new ATOM 742 N ILE A 47 -14.042 20.380 12.351 1.00 0.00 N ATOM 743 CA ILE A 47 -15.409 20.502 12.930 1.00 0.00 C ATOM 744 C ILE A 47 -15.871 21.957 12.841 1.00 0.00 C ATOM 745 O ILE A 47 -17.013 22.240 12.537 1.00 0.00 O ATOM 746 CB ILE A 47 -15.269 20.068 14.389 1.00 0.00 C ATOM 747 CG1 ILE A 47 -14.739 18.634 14.446 1.00 0.00 C ATOM 748 CG2 ILE A 47 -16.635 20.134 15.074 1.00 0.00 C ATOM 749 CD1 ILE A 47 -15.763 17.686 13.817 1.00 0.00 C ATOM 0 H ILE A 47 -13.323 20.056 12.998 1.00 0.00 H new ATOM 0 HA ILE A 47 -16.144 19.894 12.403 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.573 20.733 14.901 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.789 18.565 13.915 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -14.548 18.346 15.480 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -16.536 19.825 16.114 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -17.013 21.155 15.034 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.331 19.469 14.563 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.386 16.664 13.857 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -16.702 17.748 14.367 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.931 17.970 12.778 1.00 0.00 H new ATOM 761 N LEU A 48 -14.984 22.881 13.091 1.00 0.00 N ATOM 762 CA LEU A 48 -15.364 24.318 13.006 1.00 0.00 C ATOM 763 C LEU A 48 -15.673 24.674 11.553 1.00 0.00 C ATOM 764 O LEU A 48 -16.603 25.401 11.263 1.00 0.00 O ATOM 765 CB LEU A 48 -14.135 25.089 13.494 1.00 0.00 C ATOM 766 CG LEU A 48 -14.034 24.996 15.019 1.00 0.00 C ATOM 767 CD1 LEU A 48 -15.381 25.357 15.648 1.00 0.00 C ATOM 768 CD2 LEU A 48 -13.647 23.571 15.421 1.00 0.00 C ATOM 0 H LEU A 48 -14.014 22.702 13.350 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.247 24.554 13.600 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -13.234 24.682 13.036 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -14.205 26.133 13.188 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.273 25.692 15.372 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.305 25.290 16.733 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.654 26.374 15.366 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.145 24.665 15.294 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.575 23.506 16.507 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.405 22.874 15.065 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.684 23.317 14.978 1.00 0.00 H new ATOM 780 N GLU A 49 -14.900 24.158 10.636 1.00 0.00 N ATOM 781 CA GLU A 49 -15.149 24.458 9.197 1.00 0.00 C ATOM 782 C GLU A 49 -16.547 23.977 8.798 1.00 0.00 C ATOM 783 O GLU A 49 -17.136 24.464 7.854 1.00 0.00 O ATOM 784 CB GLU A 49 -14.076 23.677 8.437 1.00 0.00 C ATOM 785 CG GLU A 49 -12.691 24.178 8.852 1.00 0.00 C ATOM 786 CD GLU A 49 -11.637 23.606 7.900 1.00 0.00 C ATOM 787 OE1 GLU A 49 -11.963 22.683 7.172 1.00 0.00 O ATOM 788 OE2 GLU A 49 -10.523 24.103 7.916 1.00 0.00 O ATOM 0 H GLU A 49 -14.108 23.543 10.821 1.00 0.00 H new ATOM 0 HA GLU A 49 -15.103 25.525 8.981 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.168 22.612 8.649 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.213 23.801 7.363 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.664 25.267 8.829 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.474 23.875 9.876 1.00 0.00 H new ATOM 795 N LYS A 50 -17.081 23.024 9.513 1.00 0.00 N ATOM 796 CA LYS A 50 -18.440 22.511 9.179 1.00 0.00 C ATOM 797 C LYS A 50 -19.488 23.602 9.412 1.00 0.00 C ATOM 798 O LYS A 50 -20.418 23.759 8.646 1.00 0.00 O ATOM 799 CB LYS A 50 -18.668 21.339 10.134 1.00 0.00 C ATOM 800 CG LYS A 50 -17.701 20.203 9.794 1.00 0.00 C ATOM 801 CD LYS A 50 -18.252 18.885 10.342 1.00 0.00 C ATOM 802 CE LYS A 50 -17.197 17.788 10.189 1.00 0.00 C ATOM 803 NZ LYS A 50 -17.147 17.507 8.726 1.00 0.00 N ATOM 0 H LYS A 50 -16.634 22.578 10.314 1.00 0.00 H new ATOM 0 HA LYS A 50 -18.521 22.208 8.135 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -18.518 21.662 11.164 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -19.697 20.989 10.057 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.569 20.134 8.714 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.719 20.406 10.223 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -18.523 19.000 11.392 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -19.160 18.608 9.807 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -16.227 18.118 10.562 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -17.469 16.896 10.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.918 16.504 8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -18.071 17.720 8.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.417 18.101 8.283 1.00 0.00 H new ATOM 817 N GLU A 51 -19.343 24.358 10.467 1.00 0.00 N ATOM 818 CA GLU A 51 -20.331 25.440 10.750 1.00 0.00 C ATOM 819 C GLU A 51 -20.483 26.352 9.532 1.00 0.00 C ATOM 820 O GLU A 51 -21.500 26.990 9.344 1.00 0.00 O ATOM 821 CB GLU A 51 -19.741 26.213 11.930 1.00 0.00 C ATOM 822 CG GLU A 51 -19.644 25.291 13.147 1.00 0.00 C ATOM 823 CD GLU A 51 -21.049 24.871 13.583 1.00 0.00 C ATOM 824 OE1 GLU A 51 -21.989 25.567 13.234 1.00 0.00 O ATOM 825 OE2 GLU A 51 -21.162 23.861 14.256 1.00 0.00 O ATOM 0 H GLU A 51 -18.585 24.274 11.144 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.322 25.046 10.974 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.754 26.596 11.671 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -20.366 27.075 12.163 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.049 24.411 12.903 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -19.136 25.803 13.964 1.00 0.00 H new ATOM 832 N ALA A 52 -19.479 26.421 8.701 1.00 0.00 N ATOM 833 CA ALA A 52 -19.566 27.293 7.495 1.00 0.00 C ATOM 834 C ALA A 52 -20.381 26.602 6.399 1.00 0.00 C ATOM 835 O ALA A 52 -20.289 25.406 6.205 1.00 0.00 O ATOM 836 CB ALA A 52 -18.119 27.492 7.043 1.00 0.00 C ATOM 0 H ALA A 52 -18.602 25.911 8.805 1.00 0.00 H new ATOM 0 HA ALA A 52 -20.060 28.241 7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -18.099 28.126 6.156 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.550 27.968 7.842 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.675 26.525 6.808 1.00 0.00 H new ATOM 842 N LYS A 53 -21.179 27.345 5.682 1.00 0.00 N ATOM 843 CA LYS A 53 -21.999 26.729 4.599 1.00 0.00 C ATOM 844 C LYS A 53 -21.090 26.074 3.555 1.00 0.00 C ATOM 845 O LYS A 53 -21.528 25.281 2.745 1.00 0.00 O ATOM 846 CB LYS A 53 -22.776 27.890 3.981 1.00 0.00 C ATOM 847 CG LYS A 53 -23.657 28.541 5.048 1.00 0.00 C ATOM 848 CD LYS A 53 -24.726 27.544 5.504 1.00 0.00 C ATOM 849 CE LYS A 53 -25.604 28.192 6.577 1.00 0.00 C ATOM 850 NZ LYS A 53 -26.581 27.135 6.959 1.00 0.00 N ATOM 0 H LYS A 53 -21.299 28.351 5.799 1.00 0.00 H new ATOM 0 HA LYS A 53 -22.662 25.950 4.975 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -22.085 28.624 3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -23.391 27.531 3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -23.049 28.852 5.897 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -24.128 29.439 4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -25.337 27.237 4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -24.254 26.644 5.899 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -25.011 28.511 7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -26.110 29.078 6.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -27.220 27.502 7.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -27.135 26.857 6.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -26.071 26.307 7.327 1.00 0.00 H new ATOM 864 N SER A 54 -19.826 26.399 3.568 1.00 0.00 N ATOM 865 CA SER A 54 -18.890 25.795 2.577 1.00 0.00 C ATOM 866 C SER A 54 -18.699 24.305 2.870 1.00 0.00 C ATOM 867 O SER A 54 -18.332 23.534 2.005 1.00 0.00 O ATOM 868 CB SER A 54 -17.575 26.551 2.762 1.00 0.00 C ATOM 869 OG SER A 54 -17.012 26.220 4.024 1.00 0.00 O ATOM 0 H SER A 54 -19.401 27.056 4.222 1.00 0.00 H new ATOM 0 HA SER A 54 -19.264 25.872 1.556 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.880 26.294 1.963 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.749 27.625 2.700 1.00 0.00 H new ATOM 0 HG SER A 54 -16.168 26.703 4.142 1.00 0.00 H new ATOM 875 N GLN A 55 -18.946 23.894 4.084 1.00 0.00 N ATOM 876 CA GLN A 55 -18.778 22.453 4.431 1.00 0.00 C ATOM 877 C GLN A 55 -19.245 22.197 5.866 1.00 0.00 C ATOM 878 O GLN A 55 -19.649 23.149 6.515 1.00 0.00 O ATOM 879 CB GLN A 55 -17.278 22.186 4.300 1.00 0.00 C ATOM 880 CG GLN A 55 -17.006 20.695 4.502 1.00 0.00 C ATOM 881 CD GLN A 55 -15.545 20.393 4.161 1.00 0.00 C ATOM 882 OE1 GLN A 55 -15.044 20.825 3.143 1.00 0.00 O ATOM 883 NE2 GLN A 55 -14.836 19.662 4.978 1.00 0.00 N ATOM 884 OXT GLN A 55 -19.191 21.055 6.292 1.00 0.00 O ATOM 0 H GLN A 55 -19.256 24.492 4.850 1.00 0.00 H new ATOM 0 HA GLN A 55 -19.366 21.801 3.785 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -16.926 22.501 3.318 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -16.728 22.770 5.038 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -17.216 20.413 5.534 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -17.668 20.104 3.869 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -15.257 19.299 5.833 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.861 19.454 4.761 1.00 0.00 H new TER 893 GLN A 55