USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 624 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 22 THR OG1 : rot -171:sc= 1.17 USER MOD Set 1.2: A 25 ASN : amide:sc= -1.22 K(o=-0.046,f=-3.3!) USER MOD Set 2.1: A 7 THR OG1 : rot 105:sc= 1.03 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.916 USER MOD Single : A 1 MET CE :methyl -170:sc=-0.000674 (180deg=-0.146) USER MOD Single : A 1 MET N :NH3+ -168:sc= 1.28 (180deg=1.11) USER MOD Single : A 2 GLN : amide:sc= 0.157 X(o=0.16,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.036 USER MOD Single : A 14 THR OG1 : rot -89:sc= 0.122 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 0.923 (180deg=0.901) USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 1.2 (180deg=1.2) USER MOD Single : A 31 GLN : amide:sc= -0.521 K(o=-0.52,f=-1.7) USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= 2.12 (180deg=1.85) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 41 ASN : amide:sc= -1.14 K(o=-1.1,f=-7.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.0632 X(o=0.063,f=-0.33) USER MOD Single : A 55 THR OG1 : rot -86:sc= 1.31 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 167:sc= 0.145 USER MOD Single : A 60 ASN : amide:sc= -0.0698 X(o=-0.07,f=-0.14) USER MOD Single : A 62 GLN : amide:sc= -0.648 X(o=-0.65,f=-0.92) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -86:sc= 1.34 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.572 X(o=-0.57,f=-0.079) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.258 -2.212 3.855 1.00 0.00 N ATOM 2 CA MET A 1 -12.924 -2.450 2.438 1.00 0.00 C ATOM 3 C MET A 1 -11.715 -3.357 2.366 1.00 0.00 C ATOM 4 O MET A 1 -10.954 -3.417 3.324 1.00 0.00 O ATOM 5 CB MET A 1 -12.553 -1.154 1.695 1.00 0.00 C ATOM 6 CG MET A 1 -13.760 -0.264 1.457 1.00 0.00 C ATOM 7 SD MET A 1 -13.395 1.400 0.854 1.00 0.00 S ATOM 8 CE MET A 1 -15.068 2.088 0.873 1.00 0.00 C ATOM 0 H1 MET A 1 -14.195 -1.765 3.920 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.271 -3.118 4.366 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.545 -1.585 4.279 1.00 0.00 H new ATOM 0 HA MET A 1 -13.806 -2.888 1.971 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.808 -0.607 2.273 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.094 -1.404 0.739 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.416 -0.756 0.739 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.316 -0.179 2.390 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.071 3.052 0.365 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.747 1.407 0.361 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.395 2.220 1.904 1.00 0.00 H new ATOM 18 N GLN A 2 -11.496 -4.044 1.249 1.00 0.00 N ATOM 19 CA GLN A 2 -10.337 -4.902 1.065 1.00 0.00 C ATOM 20 C GLN A 2 -9.759 -4.626 -0.313 1.00 0.00 C ATOM 21 O GLN A 2 -10.474 -4.182 -1.211 1.00 0.00 O ATOM 22 CB GLN A 2 -10.665 -6.395 1.258 1.00 0.00 C ATOM 23 CG GLN A 2 -11.617 -6.966 0.202 1.00 0.00 C ATOM 24 CD GLN A 2 -11.659 -8.490 0.230 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.208 -9.110 1.135 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.075 -9.148 -0.759 1.00 0.00 N ATOM 0 H GLN A 2 -12.122 -4.019 0.444 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.599 -4.671 1.833 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.736 -6.965 1.241 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.107 -6.535 2.244 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.620 -6.573 0.369 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -11.304 -6.631 -0.787 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.618 -8.635 -1.513 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.082 -10.168 -0.767 1.00 0.00 H new ATOM 35 N ILE A 3 -8.469 -4.889 -0.471 1.00 0.00 N ATOM 36 CA ILE A 3 -7.702 -4.736 -1.698 1.00 0.00 C ATOM 37 C ILE A 3 -6.653 -5.845 -1.682 1.00 0.00 C ATOM 38 O ILE A 3 -6.372 -6.436 -0.630 1.00 0.00 O ATOM 39 CB ILE A 3 -7.071 -3.328 -1.876 1.00 0.00 C ATOM 40 CG1 ILE A 3 -5.833 -3.027 -1.001 1.00 0.00 C ATOM 41 CG2 ILE A 3 -8.103 -2.193 -1.758 1.00 0.00 C ATOM 42 CD1 ILE A 3 -6.056 -3.149 0.507 1.00 0.00 C ATOM 0 H ILE A 3 -7.897 -5.235 0.300 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.363 -4.823 -2.560 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.698 -3.363 -2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.030 -3.706 -1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.490 -2.016 -1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.605 -1.233 -1.891 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.867 -2.315 -2.526 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.570 -2.226 -0.773 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.129 -2.918 1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.832 -2.450 0.818 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.366 -4.166 0.748 1.00 0.00 H new ATOM 54 N PHE A 4 -6.078 -6.121 -2.842 1.00 0.00 N ATOM 55 CA PHE A 4 -5.058 -7.133 -3.031 1.00 0.00 C ATOM 56 C PHE A 4 -3.728 -6.402 -3.138 1.00 0.00 C ATOM 57 O PHE A 4 -3.669 -5.287 -3.661 1.00 0.00 O ATOM 58 CB PHE A 4 -5.419 -7.983 -4.253 1.00 0.00 C ATOM 59 CG PHE A 4 -6.829 -8.534 -4.135 1.00 0.00 C ATOM 60 CD1 PHE A 4 -7.104 -9.573 -3.224 1.00 0.00 C ATOM 61 CD2 PHE A 4 -7.889 -7.905 -4.819 1.00 0.00 C ATOM 62 CE1 PHE A 4 -8.432 -9.982 -3.006 1.00 0.00 C ATOM 63 CE2 PHE A 4 -9.215 -8.300 -4.579 1.00 0.00 C ATOM 64 CZ PHE A 4 -9.487 -9.339 -3.678 1.00 0.00 C ATOM 0 H PHE A 4 -6.318 -5.630 -3.703 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.984 -7.835 -2.201 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.335 -7.380 -5.157 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.710 -8.805 -4.351 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.296 -10.055 -2.694 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.681 -7.118 -5.529 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.642 -10.791 -2.322 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.027 -7.803 -5.089 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.507 -9.646 -3.500 1.00 0.00 H new ATOM 74 N VAL A 5 -2.655 -7.009 -2.643 1.00 0.00 N ATOM 75 CA VAL A 5 -1.328 -6.420 -2.652 1.00 0.00 C ATOM 76 C VAL A 5 -0.323 -7.440 -3.177 1.00 0.00 C ATOM 77 O VAL A 5 -0.235 -8.538 -2.626 1.00 0.00 O ATOM 78 CB VAL A 5 -0.983 -5.870 -1.254 1.00 0.00 C ATOM 79 CG1 VAL A 5 0.352 -5.123 -1.290 1.00 0.00 C ATOM 80 CG2 VAL A 5 -2.054 -4.892 -0.737 1.00 0.00 C ATOM 0 H VAL A 5 -2.687 -7.936 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.291 -5.566 -3.329 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.930 -6.730 -0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.582 -4.741 -0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.141 -5.804 -1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.285 -4.292 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.769 -4.530 0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.138 -4.049 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.014 -5.404 -0.673 1.00 0.00 H new ATOM 90 N LYS A 6 0.367 -7.121 -4.279 1.00 0.00 N ATOM 91 CA LYS A 6 1.369 -7.997 -4.887 1.00 0.00 C ATOM 92 C LYS A 6 2.726 -7.710 -4.252 1.00 0.00 C ATOM 93 O LYS A 6 3.100 -6.541 -4.178 1.00 0.00 O ATOM 94 CB LYS A 6 1.467 -7.760 -6.407 1.00 0.00 C ATOM 95 CG LYS A 6 2.286 -8.873 -7.096 1.00 0.00 C ATOM 96 CD LYS A 6 1.419 -10.082 -7.464 1.00 0.00 C ATOM 97 CE LYS A 6 0.773 -9.891 -8.840 1.00 0.00 C ATOM 98 NZ LYS A 6 1.718 -10.214 -9.926 1.00 0.00 N ATOM 0 H LYS A 6 0.242 -6.239 -4.776 1.00 0.00 H new ATOM 0 HA LYS A 6 1.074 -9.032 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.466 -7.723 -6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.932 -6.793 -6.597 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.753 -8.474 -7.997 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.091 -9.193 -6.434 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.029 -10.985 -7.466 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.644 -10.222 -6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.109 -10.527 -8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.434 -8.860 -8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.251 -10.075 -10.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.548 -9.590 -9.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.022 -11.205 -9.838 1.00 0.00 H new ATOM 112 N THR A 7 3.427 -8.721 -3.746 1.00 0.00 N ATOM 113 CA THR A 7 4.748 -8.573 -3.142 1.00 0.00 C ATOM 114 C THR A 7 5.795 -8.803 -4.238 1.00 0.00 C ATOM 115 O THR A 7 5.522 -9.546 -5.184 1.00 0.00 O ATOM 116 CB THR A 7 4.899 -9.544 -1.949 1.00 0.00 C ATOM 117 OG1 THR A 7 4.707 -10.896 -2.323 1.00 0.00 O ATOM 118 CG2 THR A 7 3.866 -9.259 -0.850 1.00 0.00 C ATOM 0 H THR A 7 3.087 -9.683 -3.744 1.00 0.00 H new ATOM 0 HA THR A 7 4.889 -7.571 -2.736 1.00 0.00 H new ATOM 0 HB THR A 7 5.916 -9.386 -1.590 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.574 -11.350 -2.365 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.005 -9.962 -0.029 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.997 -8.241 -0.482 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.861 -9.371 -1.257 1.00 0.00 H new ATOM 126 N LEU A 8 7.017 -8.266 -4.084 1.00 0.00 N ATOM 127 CA LEU A 8 8.082 -8.441 -5.086 1.00 0.00 C ATOM 128 C LEU A 8 8.406 -9.909 -5.347 1.00 0.00 C ATOM 129 O LEU A 8 8.901 -10.240 -6.421 1.00 0.00 O ATOM 130 CB LEU A 8 9.369 -7.689 -4.702 1.00 0.00 C ATOM 131 CG LEU A 8 9.370 -6.204 -5.097 1.00 0.00 C ATOM 132 CD1 LEU A 8 10.567 -5.495 -4.459 1.00 0.00 C ATOM 133 CD2 LEU A 8 9.510 -6.032 -6.613 1.00 0.00 C ATOM 0 H LEU A 8 7.292 -7.708 -3.276 1.00 0.00 H new ATOM 0 HA LEU A 8 7.687 -8.011 -6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.515 -7.767 -3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.219 -8.180 -5.175 1.00 0.00 H new ATOM 0 HG LEU A 8 8.425 -5.781 -4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.561 -4.443 -4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.503 -5.578 -3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.491 -5.959 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.507 -4.970 -6.861 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.447 -6.480 -6.945 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.676 -6.523 -7.114 1.00 0.00 H new ATOM 145 N THR A 9 8.098 -10.796 -4.404 1.00 0.00 N ATOM 146 CA THR A 9 8.326 -12.223 -4.534 1.00 0.00 C ATOM 147 C THR A 9 7.384 -12.849 -5.580 1.00 0.00 C ATOM 148 O THR A 9 7.515 -14.033 -5.897 1.00 0.00 O ATOM 149 CB THR A 9 8.196 -12.857 -3.147 1.00 0.00 C ATOM 150 OG1 THR A 9 6.947 -12.541 -2.552 1.00 0.00 O ATOM 151 CG2 THR A 9 9.303 -12.354 -2.215 1.00 0.00 C ATOM 0 H THR A 9 7.675 -10.533 -3.514 1.00 0.00 H new ATOM 0 HA THR A 9 9.332 -12.415 -4.907 1.00 0.00 H new ATOM 0 HB THR A 9 8.277 -13.935 -3.283 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.890 -12.960 -1.668 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.192 -12.817 -1.235 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.276 -12.615 -2.631 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.230 -11.271 -2.115 1.00 0.00 H new ATOM 159 N GLY A 10 6.433 -12.081 -6.122 1.00 0.00 N ATOM 160 CA GLY A 10 5.466 -12.466 -7.135 1.00 0.00 C ATOM 161 C GLY A 10 4.170 -13.011 -6.559 1.00 0.00 C ATOM 162 O GLY A 10 3.357 -13.569 -7.300 1.00 0.00 O ATOM 0 H GLY A 10 6.317 -11.108 -5.839 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.242 -11.601 -7.759 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.912 -13.220 -7.784 1.00 0.00 H new ATOM 166 N LYS A 11 4.003 -12.929 -5.242 1.00 0.00 N ATOM 167 CA LYS A 11 2.847 -13.406 -4.497 1.00 0.00 C ATOM 168 C LYS A 11 1.807 -12.307 -4.333 1.00 0.00 C ATOM 169 O LYS A 11 2.120 -11.138 -4.545 1.00 0.00 O ATOM 170 CB LYS A 11 3.362 -13.790 -3.100 1.00 0.00 C ATOM 171 CG LYS A 11 2.605 -14.979 -2.508 1.00 0.00 C ATOM 172 CD LYS A 11 3.010 -15.225 -1.052 1.00 0.00 C ATOM 173 CE LYS A 11 2.266 -14.281 -0.104 1.00 0.00 C ATOM 174 NZ LYS A 11 2.823 -14.326 1.259 1.00 0.00 N ATOM 0 H LYS A 11 4.707 -12.506 -4.637 1.00 0.00 H new ATOM 0 HA LYS A 11 2.382 -14.240 -5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.423 -14.032 -3.160 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.268 -12.933 -2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.532 -14.794 -2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.806 -15.872 -3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.796 -16.259 -0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.085 -15.083 -0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.323 -13.262 -0.487 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.211 -14.552 -0.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.294 -13.674 1.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.746 -15.293 1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.823 -14.043 1.235 1.00 0.00 H new ATOM 188 N THR A 12 0.601 -12.655 -3.885 1.00 0.00 N ATOM 189 CA THR A 12 -0.460 -11.687 -3.635 1.00 0.00 C ATOM 190 C THR A 12 -1.028 -11.973 -2.243 1.00 0.00 C ATOM 191 O THR A 12 -1.167 -13.137 -1.845 1.00 0.00 O ATOM 192 CB THR A 12 -1.550 -11.670 -4.723 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.033 -11.946 -6.010 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.196 -10.280 -4.772 1.00 0.00 C ATOM 0 H THR A 12 0.334 -13.619 -3.686 1.00 0.00 H new ATOM 0 HA THR A 12 -0.040 -10.682 -3.673 1.00 0.00 H new ATOM 0 HB THR A 12 -2.271 -12.445 -4.462 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.761 -11.926 -6.666 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.968 -10.265 -5.541 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.643 -10.052 -3.804 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.436 -9.534 -5.005 1.00 0.00 H new ATOM 202 N ILE A 13 -1.356 -10.918 -1.502 1.00 0.00 N ATOM 203 CA ILE A 13 -1.909 -10.909 -0.148 1.00 0.00 C ATOM 204 C ILE A 13 -3.173 -10.026 -0.193 1.00 0.00 C ATOM 205 O ILE A 13 -3.361 -9.285 -1.159 1.00 0.00 O ATOM 206 CB ILE A 13 -0.816 -10.374 0.828 1.00 0.00 C ATOM 207 CG1 ILE A 13 0.501 -11.186 0.689 1.00 0.00 C ATOM 208 CG2 ILE A 13 -1.277 -10.376 2.297 1.00 0.00 C ATOM 209 CD1 ILE A 13 1.631 -10.799 1.654 1.00 0.00 C ATOM 0 H ILE A 13 -1.233 -9.971 -1.860 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.191 -11.899 0.210 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.634 -9.338 0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.271 -12.242 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.867 -11.076 -0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.476 -9.994 2.930 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.157 -9.742 2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.524 -11.394 2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.500 -11.430 1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.900 -9.754 1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.295 -10.938 2.682 1.00 0.00 H new ATOM 221 N THR A 14 -4.053 -10.109 0.806 1.00 0.00 N ATOM 222 CA THR A 14 -5.274 -9.316 0.919 1.00 0.00 C ATOM 223 C THR A 14 -5.173 -8.566 2.247 1.00 0.00 C ATOM 224 O THR A 14 -4.547 -9.069 3.181 1.00 0.00 O ATOM 225 CB THR A 14 -6.535 -10.199 0.885 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.483 -11.161 -0.148 1.00 0.00 O ATOM 227 CG2 THR A 14 -7.798 -9.363 0.657 1.00 0.00 C ATOM 0 H THR A 14 -3.929 -10.754 1.586 1.00 0.00 H new ATOM 0 HA THR A 14 -5.365 -8.631 0.076 1.00 0.00 H new ATOM 0 HB THR A 14 -6.570 -10.694 1.855 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.868 -10.783 -0.966 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.669 -10.018 0.639 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.905 -8.639 1.464 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.719 -8.837 -0.294 1.00 0.00 H new ATOM 235 N LEU A 15 -5.742 -7.363 2.339 1.00 0.00 N ATOM 236 CA LEU A 15 -5.730 -6.549 3.555 1.00 0.00 C ATOM 237 C LEU A 15 -7.118 -5.947 3.737 1.00 0.00 C ATOM 238 O LEU A 15 -7.941 -6.017 2.821 1.00 0.00 O ATOM 239 CB LEU A 15 -4.705 -5.400 3.467 1.00 0.00 C ATOM 240 CG LEU A 15 -3.268 -5.783 3.082 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.486 -4.499 2.800 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.527 -6.577 4.165 1.00 0.00 C ATOM 0 H LEU A 15 -6.231 -6.921 1.560 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.452 -7.187 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.070 -4.674 2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.675 -4.896 4.433 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.335 -6.430 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.462 -4.750 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.960 -3.957 1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.479 -3.874 3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.520 -6.810 3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.470 -5.983 5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.064 -7.503 4.369 1.00 0.00 H new ATOM 254 N GLU A 16 -7.368 -5.319 4.882 1.00 0.00 N ATOM 255 CA GLU A 16 -8.629 -4.670 5.217 1.00 0.00 C ATOM 256 C GLU A 16 -8.296 -3.206 5.504 1.00 0.00 C ATOM 257 O GLU A 16 -7.452 -2.940 6.354 1.00 0.00 O ATOM 258 CB GLU A 16 -9.302 -5.387 6.388 1.00 0.00 C ATOM 259 CG GLU A 16 -10.667 -4.757 6.682 1.00 0.00 C ATOM 260 CD GLU A 16 -11.494 -5.650 7.598 1.00 0.00 C ATOM 261 OE1 GLU A 16 -12.132 -6.602 7.097 1.00 0.00 O ATOM 262 OE2 GLU A 16 -11.578 -5.363 8.817 1.00 0.00 O ATOM 0 H GLU A 16 -6.674 -5.246 5.626 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.352 -4.719 4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.425 -6.445 6.154 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.668 -5.328 7.273 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.529 -3.781 7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.204 -4.591 5.748 1.00 0.00 H new ATOM 269 N VAL A 17 -8.916 -2.266 4.796 1.00 0.00 N ATOM 270 CA VAL A 17 -8.713 -0.820 4.882 1.00 0.00 C ATOM 271 C VAL A 17 -10.048 -0.065 4.827 1.00 0.00 C ATOM 272 O VAL A 17 -11.099 -0.688 4.684 1.00 0.00 O ATOM 273 CB VAL A 17 -7.833 -0.408 3.675 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.480 -1.142 3.652 1.00 0.00 C ATOM 275 CG2 VAL A 17 -8.554 -0.637 2.323 1.00 0.00 C ATOM 0 H VAL A 17 -9.621 -2.509 4.100 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.235 -0.570 5.829 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.648 0.658 3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.904 -0.816 2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.927 -0.914 4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.650 -2.217 3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.899 -0.334 1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.802 -1.693 2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.469 -0.045 2.294 1.00 0.00 H new ATOM 285 N GLU A 18 -10.024 1.269 4.912 1.00 0.00 N ATOM 286 CA GLU A 18 -11.190 2.138 4.839 1.00 0.00 C ATOM 287 C GLU A 18 -10.782 3.465 4.185 1.00 0.00 C ATOM 288 O GLU A 18 -9.596 3.794 4.179 1.00 0.00 O ATOM 289 CB GLU A 18 -11.769 2.423 6.227 1.00 0.00 C ATOM 290 CG GLU A 18 -12.393 1.222 6.957 1.00 0.00 C ATOM 291 CD GLU A 18 -13.528 0.494 6.221 1.00 0.00 C ATOM 292 OE1 GLU A 18 -14.022 -0.524 6.749 1.00 0.00 O ATOM 293 OE2 GLU A 18 -13.988 0.903 5.127 1.00 0.00 O ATOM 0 H GLU A 18 -9.155 1.788 5.038 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.955 1.633 4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.975 2.831 6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.529 3.198 6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.603 0.501 7.167 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.774 1.566 7.919 1.00 0.00 H new ATOM 300 N PRO A 19 -11.733 4.266 3.674 1.00 0.00 N ATOM 301 CA PRO A 19 -11.446 5.546 3.037 1.00 0.00 C ATOM 302 C PRO A 19 -10.656 6.540 3.896 1.00 0.00 C ATOM 303 O PRO A 19 -9.824 7.265 3.346 1.00 0.00 O ATOM 304 CB PRO A 19 -12.805 6.127 2.651 1.00 0.00 C ATOM 305 CG PRO A 19 -13.670 4.883 2.502 1.00 0.00 C ATOM 306 CD PRO A 19 -13.160 3.983 3.608 1.00 0.00 C ATOM 0 HA PRO A 19 -10.791 5.373 2.183 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.191 6.799 3.418 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.753 6.698 1.724 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.729 5.110 2.622 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.552 4.424 1.521 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.653 4.200 4.556 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.347 2.933 3.384 1.00 0.00 H new ATOM 314 N SER A 20 -10.919 6.620 5.204 1.00 0.00 N ATOM 315 CA SER A 20 -10.210 7.547 6.090 1.00 0.00 C ATOM 316 C SER A 20 -8.917 6.965 6.648 1.00 0.00 C ATOM 317 O SER A 20 -8.171 7.704 7.292 1.00 0.00 O ATOM 318 CB SER A 20 -11.133 8.078 7.191 1.00 0.00 C ATOM 319 OG SER A 20 -11.880 9.151 6.643 1.00 0.00 O ATOM 0 H SER A 20 -11.622 6.050 5.674 1.00 0.00 H new ATOM 0 HA SER A 20 -9.907 8.397 5.479 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.798 7.291 7.546 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.551 8.415 8.049 1.00 0.00 H new ATOM 0 HG SER A 20 -12.483 9.512 7.326 1.00 0.00 H new ATOM 325 N ASP A 21 -8.628 5.680 6.442 1.00 0.00 N ATOM 326 CA ASP A 21 -7.383 5.099 6.929 1.00 0.00 C ATOM 327 C ASP A 21 -6.273 5.781 6.132 1.00 0.00 C ATOM 328 O ASP A 21 -6.295 5.805 4.893 1.00 0.00 O ATOM 329 CB ASP A 21 -7.344 3.580 6.733 1.00 0.00 C ATOM 330 CG ASP A 21 -7.773 2.782 7.966 1.00 0.00 C ATOM 331 OD1 ASP A 21 -7.088 1.771 8.259 1.00 0.00 O ATOM 332 OD2 ASP A 21 -8.815 3.088 8.589 1.00 0.00 O ATOM 0 H ASP A 21 -9.235 5.028 5.945 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.272 5.258 8.002 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.992 3.315 5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.332 3.286 6.457 1.00 0.00 H new ATOM 337 N THR A 22 -5.340 6.419 6.838 1.00 0.00 N ATOM 338 CA THR A 22 -4.231 7.087 6.190 1.00 0.00 C ATOM 339 C THR A 22 -3.368 6.022 5.516 1.00 0.00 C ATOM 340 O THR A 22 -3.373 4.856 5.925 1.00 0.00 O ATOM 341 CB THR A 22 -3.419 7.931 7.187 1.00 0.00 C ATOM 342 OG1 THR A 22 -2.989 7.158 8.288 1.00 0.00 O ATOM 343 CG2 THR A 22 -4.205 9.125 7.725 1.00 0.00 C ATOM 0 H THR A 22 -5.337 6.483 7.856 1.00 0.00 H new ATOM 0 HA THR A 22 -4.605 7.785 5.441 1.00 0.00 H new ATOM 0 HB THR A 22 -2.560 8.297 6.624 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.596 7.746 8.967 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.583 9.685 8.424 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.494 9.773 6.898 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.099 8.771 8.238 1.00 0.00 H new ATOM 351 N ILE A 23 -2.556 6.407 4.530 1.00 0.00 N ATOM 352 CA ILE A 23 -1.669 5.462 3.849 1.00 0.00 C ATOM 353 C ILE A 23 -0.696 4.846 4.874 1.00 0.00 C ATOM 354 O ILE A 23 -0.121 3.789 4.616 1.00 0.00 O ATOM 355 CB ILE A 23 -0.987 6.150 2.648 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.010 6.661 1.603 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.048 5.247 1.953 1.00 0.00 C ATOM 358 CD1 ILE A 23 -3.076 5.658 1.139 1.00 0.00 C ATOM 0 H ILE A 23 -2.494 7.365 4.186 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.231 4.630 3.426 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.463 7.007 3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.518 7.530 2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.460 7.004 0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.495 5.783 1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.826 4.971 2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.444 4.346 1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.731 6.134 0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.590 4.796 0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.665 5.331 1.996 1.00 0.00 H new ATOM 370 N GLU A 24 -0.538 5.483 6.037 1.00 0.00 N ATOM 371 CA GLU A 24 0.287 5.058 7.152 1.00 0.00 C ATOM 372 C GLU A 24 -0.339 3.765 7.695 1.00 0.00 C ATOM 373 O GLU A 24 0.343 2.768 7.886 1.00 0.00 O ATOM 374 CB GLU A 24 0.268 6.129 8.264 1.00 0.00 C ATOM 375 CG GLU A 24 0.401 7.596 7.825 1.00 0.00 C ATOM 376 CD GLU A 24 0.041 8.528 8.985 1.00 0.00 C ATOM 377 OE1 GLU A 24 -1.129 8.503 9.436 1.00 0.00 O ATOM 378 OE2 GLU A 24 0.941 9.241 9.478 1.00 0.00 O ATOM 0 H GLU A 24 -1.016 6.363 6.229 1.00 0.00 H new ATOM 0 HA GLU A 24 1.318 4.907 6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.665 6.025 8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.078 5.909 8.959 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.420 7.793 7.493 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.254 7.790 6.976 1.00 0.00 H new ATOM 385 N ASN A 25 -1.658 3.777 7.930 1.00 0.00 N ATOM 386 CA ASN A 25 -2.459 2.665 8.455 1.00 0.00 C ATOM 387 C ASN A 25 -2.357 1.493 7.493 1.00 0.00 C ATOM 388 O ASN A 25 -2.145 0.352 7.898 1.00 0.00 O ATOM 389 CB ASN A 25 -3.962 3.022 8.607 1.00 0.00 C ATOM 390 CG ASN A 25 -4.277 4.299 9.365 1.00 0.00 C ATOM 391 OD1 ASN A 25 -5.364 4.855 9.312 1.00 0.00 O ATOM 392 ND2 ASN A 25 -3.301 4.882 10.007 1.00 0.00 N ATOM 0 H ASN A 25 -2.224 4.606 7.749 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.066 2.425 9.443 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.398 3.099 7.611 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.461 2.194 9.110 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.453 5.786 10.454 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.387 4.433 10.062 1.00 0.00 H new ATOM 399 N VAL A 26 -2.502 1.800 6.206 1.00 0.00 N ATOM 400 CA VAL A 26 -2.435 0.834 5.126 1.00 0.00 C ATOM 401 C VAL A 26 -1.021 0.233 5.108 1.00 0.00 C ATOM 402 O VAL A 26 -0.863 -0.980 4.972 1.00 0.00 O ATOM 403 CB VAL A 26 -2.827 1.534 3.806 1.00 0.00 C ATOM 404 CG1 VAL A 26 -2.887 0.527 2.650 1.00 0.00 C ATOM 405 CG2 VAL A 26 -4.174 2.286 3.886 1.00 0.00 C ATOM 0 H VAL A 26 -2.673 2.752 5.883 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.136 0.011 5.264 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.047 2.273 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.165 1.044 1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.910 0.061 2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.629 -0.240 2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.387 2.754 2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.969 1.582 4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.117 3.053 4.658 1.00 0.00 H new ATOM 415 N LYS A 27 0.019 1.069 5.250 1.00 0.00 N ATOM 416 CA LYS A 27 1.410 0.626 5.259 1.00 0.00 C ATOM 417 C LYS A 27 1.659 -0.246 6.492 1.00 0.00 C ATOM 418 O LYS A 27 2.368 -1.242 6.397 1.00 0.00 O ATOM 419 CB LYS A 27 2.374 1.825 5.138 1.00 0.00 C ATOM 420 CG LYS A 27 3.803 1.354 4.824 1.00 0.00 C ATOM 421 CD LYS A 27 4.650 2.328 3.993 1.00 0.00 C ATOM 422 CE LYS A 27 4.844 3.674 4.697 1.00 0.00 C ATOM 423 NZ LYS A 27 5.945 4.463 4.105 1.00 0.00 N ATOM 0 H LYS A 27 -0.089 2.077 5.362 1.00 0.00 H new ATOM 0 HA LYS A 27 1.611 0.007 4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.028 2.497 4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.371 2.394 6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.319 1.162 5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.746 0.404 4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.624 1.881 3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.171 2.491 3.028 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.919 4.247 4.642 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.050 3.503 5.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.094 5.326 4.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.817 3.896 4.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.700 4.723 3.128 1.00 0.00 H new ATOM 437 N ALA A 28 1.062 0.079 7.637 1.00 0.00 N ATOM 438 CA ALA A 28 1.202 -0.678 8.869 1.00 0.00 C ATOM 439 C ALA A 28 0.625 -2.090 8.684 1.00 0.00 C ATOM 440 O ALA A 28 1.270 -3.078 9.047 1.00 0.00 O ATOM 441 CB ALA A 28 0.516 0.094 10.001 1.00 0.00 C ATOM 0 H ALA A 28 0.456 0.894 7.731 1.00 0.00 H new ATOM 0 HA ALA A 28 2.253 -0.799 9.132 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.613 -0.463 10.933 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.986 1.071 10.112 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.540 0.224 9.765 1.00 0.00 H new ATOM 447 N LYS A 29 -0.563 -2.198 8.074 1.00 0.00 N ATOM 448 CA LYS A 29 -1.241 -3.473 7.820 1.00 0.00 C ATOM 449 C LYS A 29 -0.439 -4.388 6.892 1.00 0.00 C ATOM 450 O LYS A 29 -0.487 -5.605 7.092 1.00 0.00 O ATOM 451 CB LYS A 29 -2.641 -3.213 7.248 1.00 0.00 C ATOM 452 CG LYS A 29 -3.627 -2.703 8.316 1.00 0.00 C ATOM 453 CD LYS A 29 -4.732 -1.896 7.636 1.00 0.00 C ATOM 454 CE LYS A 29 -5.858 -1.424 8.570 1.00 0.00 C ATOM 455 NZ LYS A 29 -6.781 -2.505 8.973 1.00 0.00 N ATOM 0 H LYS A 29 -1.086 -1.389 7.739 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.329 -3.995 8.773 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.571 -2.481 6.443 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.028 -4.133 6.810 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.057 -3.543 8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.104 -2.084 9.045 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.284 -1.023 7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.168 -2.502 6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.417 -0.982 9.463 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.426 -0.638 8.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.505 -2.122 9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.241 -2.901 8.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.248 -3.253 9.460 1.00 0.00 H new ATOM 469 N ILE A 30 0.264 -3.855 5.883 1.00 0.00 N ATOM 470 CA ILE A 30 1.062 -4.699 4.990 1.00 0.00 C ATOM 471 C ILE A 30 2.391 -5.046 5.664 1.00 0.00 C ATOM 472 O ILE A 30 2.801 -6.204 5.596 1.00 0.00 O ATOM 473 CB ILE A 30 1.236 -4.092 3.578 1.00 0.00 C ATOM 474 CG1 ILE A 30 1.998 -5.014 2.601 1.00 0.00 C ATOM 475 CG2 ILE A 30 1.912 -2.721 3.572 1.00 0.00 C ATOM 476 CD1 ILE A 30 1.344 -6.383 2.366 1.00 0.00 C ATOM 0 H ILE A 30 0.295 -2.858 5.668 1.00 0.00 H new ATOM 0 HA ILE A 30 0.516 -5.627 4.818 1.00 0.00 H new ATOM 0 HB ILE A 30 0.209 -3.977 3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.095 -4.504 1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.007 -5.170 2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.998 -2.362 2.546 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.315 -2.018 4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.906 -2.803 4.012 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.949 -6.960 1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.272 -6.919 3.312 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.346 -6.243 1.952 1.00 0.00 H new ATOM 488 N GLN A 31 3.035 -4.092 6.353 1.00 0.00 N ATOM 489 CA GLN A 31 4.307 -4.301 7.044 1.00 0.00 C ATOM 490 C GLN A 31 4.222 -5.503 7.976 1.00 0.00 C ATOM 491 O GLN A 31 5.163 -6.291 8.042 1.00 0.00 O ATOM 492 CB GLN A 31 4.708 -3.048 7.830 1.00 0.00 C ATOM 493 CG GLN A 31 5.446 -2.050 6.937 1.00 0.00 C ATOM 494 CD GLN A 31 5.773 -0.773 7.699 1.00 0.00 C ATOM 495 OE1 GLN A 31 6.907 -0.512 8.065 1.00 0.00 O ATOM 496 NE2 GLN A 31 4.779 0.035 8.020 1.00 0.00 N ATOM 0 H GLN A 31 2.678 -3.141 6.444 1.00 0.00 H new ATOM 0 HA GLN A 31 5.072 -4.499 6.293 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.818 -2.577 8.248 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.344 -3.330 8.669 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.366 -2.501 6.565 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.833 -1.812 6.068 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.829 -0.179 7.716 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.961 0.873 8.572 1.00 0.00 H new ATOM 505 N ASP A 32 3.084 -5.674 8.645 1.00 0.00 N ATOM 506 CA ASP A 32 2.801 -6.772 9.567 1.00 0.00 C ATOM 507 C ASP A 32 3.069 -8.152 8.935 1.00 0.00 C ATOM 508 O ASP A 32 3.437 -9.087 9.645 1.00 0.00 O ATOM 509 CB ASP A 32 1.339 -6.617 10.007 1.00 0.00 C ATOM 510 CG ASP A 32 0.767 -7.849 10.696 1.00 0.00 C ATOM 511 OD1 ASP A 32 0.175 -8.688 9.985 1.00 0.00 O ATOM 512 OD2 ASP A 32 0.818 -7.916 11.944 1.00 0.00 O ATOM 0 H ASP A 32 2.302 -5.025 8.556 1.00 0.00 H new ATOM 0 HA ASP A 32 3.468 -6.723 10.427 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.262 -5.766 10.684 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.730 -6.386 9.133 1.00 0.00 H new ATOM 517 N LYS A 33 2.964 -8.275 7.605 1.00 0.00 N ATOM 518 CA LYS A 33 3.178 -9.511 6.846 1.00 0.00 C ATOM 519 C LYS A 33 4.439 -9.445 5.989 1.00 0.00 C ATOM 520 O LYS A 33 5.070 -10.475 5.742 1.00 0.00 O ATOM 521 CB LYS A 33 1.967 -9.737 5.920 1.00 0.00 C ATOM 522 CG LYS A 33 0.646 -9.889 6.692 1.00 0.00 C ATOM 523 CD LYS A 33 -0.556 -9.300 5.938 1.00 0.00 C ATOM 524 CE LYS A 33 -1.790 -9.132 6.832 1.00 0.00 C ATOM 525 NZ LYS A 33 -1.579 -8.149 7.924 1.00 0.00 N ATOM 0 H LYS A 33 2.718 -7.486 7.007 1.00 0.00 H new ATOM 0 HA LYS A 33 3.294 -10.328 7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.884 -8.899 5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.136 -10.631 5.320 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.464 -10.946 6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.738 -9.397 7.660 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.279 -8.331 5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.806 -9.948 5.098 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.635 -8.814 6.221 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.054 -10.097 7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.497 -7.884 8.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.979 -8.572 8.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.113 -7.301 7.543 1.00 0.00 H new ATOM 539 N GLU A 34 4.809 -8.253 5.523 1.00 0.00 N ATOM 540 CA GLU A 34 5.971 -8.026 4.675 1.00 0.00 C ATOM 541 C GLU A 34 7.288 -8.076 5.465 1.00 0.00 C ATOM 542 O GLU A 34 8.282 -8.565 4.933 1.00 0.00 O ATOM 543 CB GLU A 34 5.757 -6.698 3.930 1.00 0.00 C ATOM 544 CG GLU A 34 6.757 -6.434 2.794 1.00 0.00 C ATOM 545 CD GLU A 34 6.683 -7.390 1.601 1.00 0.00 C ATOM 546 OE1 GLU A 34 7.531 -7.242 0.691 1.00 0.00 O ATOM 547 OE2 GLU A 34 5.834 -8.304 1.572 1.00 0.00 O ATOM 0 H GLU A 34 4.293 -7.398 5.732 1.00 0.00 H new ATOM 0 HA GLU A 34 6.066 -8.831 3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.748 -6.686 3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.818 -5.880 4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.604 -5.418 2.430 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.765 -6.476 3.207 1.00 0.00 H new ATOM 554 N GLY A 35 7.315 -7.611 6.720 1.00 0.00 N ATOM 555 CA GLY A 35 8.517 -7.637 7.558 1.00 0.00 C ATOM 556 C GLY A 35 9.612 -6.701 7.052 1.00 0.00 C ATOM 557 O GLY A 35 10.749 -7.131 6.853 1.00 0.00 O ATOM 0 H GLY A 35 6.501 -7.206 7.183 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.250 -7.358 8.577 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.905 -8.655 7.597 1.00 0.00 H new ATOM 561 N ILE A 36 9.265 -5.441 6.790 1.00 0.00 N ATOM 562 CA ILE A 36 10.153 -4.380 6.304 1.00 0.00 C ATOM 563 C ILE A 36 9.765 -3.068 7.004 1.00 0.00 C ATOM 564 O ILE A 36 8.661 -3.006 7.554 1.00 0.00 O ATOM 565 CB ILE A 36 10.063 -4.266 4.754 1.00 0.00 C ATOM 566 CG1 ILE A 36 8.649 -4.044 4.169 1.00 0.00 C ATOM 567 CG2 ILE A 36 10.665 -5.514 4.090 1.00 0.00 C ATOM 568 CD1 ILE A 36 8.168 -2.596 4.175 1.00 0.00 C ATOM 0 H ILE A 36 8.307 -5.114 6.917 1.00 0.00 H new ATOM 0 HA ILE A 36 11.192 -4.611 6.541 1.00 0.00 H new ATOM 0 HB ILE A 36 10.629 -3.362 4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.635 -4.411 3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.940 -4.649 4.734 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.595 -5.419 3.006 1.00 0.00 H new ATOM 0 HG22 ILE A 36 11.712 -5.611 4.379 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.116 -6.399 4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.168 -2.543 3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.143 -2.225 5.200 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.849 -1.984 3.584 1.00 0.00 H new ATOM 580 N PRO A 37 10.631 -2.040 7.050 1.00 0.00 N ATOM 581 CA PRO A 37 10.312 -0.753 7.660 1.00 0.00 C ATOM 582 C PRO A 37 9.598 0.134 6.616 1.00 0.00 C ATOM 583 O PRO A 37 9.612 -0.204 5.433 1.00 0.00 O ATOM 584 CB PRO A 37 11.685 -0.187 8.029 1.00 0.00 C ATOM 585 CG PRO A 37 12.553 -0.631 6.852 1.00 0.00 C ATOM 586 CD PRO A 37 11.968 -1.992 6.472 1.00 0.00 C ATOM 0 HA PRO A 37 9.650 -0.816 8.524 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.663 0.898 8.130 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.048 -0.588 8.975 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.498 0.075 6.024 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.603 -0.710 7.134 1.00 0.00 H new ATOM 0 HD2 PRO A 37 11.928 -2.109 5.389 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.587 -2.802 6.857 1.00 0.00 H new ATOM 594 N PRO A 38 9.069 1.315 6.981 1.00 0.00 N ATOM 595 CA PRO A 38 8.392 2.227 6.056 1.00 0.00 C ATOM 596 C PRO A 38 9.176 2.648 4.790 1.00 0.00 C ATOM 597 O PRO A 38 8.559 3.236 3.898 1.00 0.00 O ATOM 598 CB PRO A 38 8.054 3.461 6.900 1.00 0.00 C ATOM 599 CG PRO A 38 7.922 2.909 8.314 1.00 0.00 C ATOM 600 CD PRO A 38 8.969 1.803 8.349 1.00 0.00 C ATOM 0 HA PRO A 38 7.532 1.704 5.638 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.838 4.216 6.837 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.130 3.933 6.567 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.117 3.674 9.066 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.921 2.523 8.505 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.928 2.182 8.701 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.673 1.004 9.029 1.00 0.00 H new ATOM 608 N ASP A 39 10.491 2.411 4.718 1.00 0.00 N ATOM 609 CA ASP A 39 11.423 2.726 3.627 1.00 0.00 C ATOM 610 C ASP A 39 11.760 1.476 2.801 1.00 0.00 C ATOM 611 O ASP A 39 11.654 0.352 3.292 1.00 0.00 O ATOM 612 CB ASP A 39 12.714 3.280 4.251 1.00 0.00 C ATOM 613 CG ASP A 39 13.842 3.520 3.243 1.00 0.00 C ATOM 614 OD1 ASP A 39 14.694 2.622 3.059 1.00 0.00 O ATOM 615 OD2 ASP A 39 13.911 4.632 2.674 1.00 0.00 O ATOM 0 H ASP A 39 10.974 1.953 5.491 1.00 0.00 H new ATOM 0 HA ASP A 39 10.960 3.454 2.961 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.487 4.219 4.756 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.064 2.584 5.013 1.00 0.00 H new ATOM 620 N GLN A 40 12.236 1.657 1.561 1.00 0.00 N ATOM 621 CA GLN A 40 12.598 0.581 0.637 1.00 0.00 C ATOM 622 C GLN A 40 11.356 -0.200 0.179 1.00 0.00 C ATOM 623 O GLN A 40 11.493 -1.287 -0.373 1.00 0.00 O ATOM 624 CB GLN A 40 13.771 -0.266 1.182 1.00 0.00 C ATOM 625 CG GLN A 40 14.452 -1.185 0.155 1.00 0.00 C ATOM 626 CD GLN A 40 15.668 -1.889 0.748 1.00 0.00 C ATOM 627 OE1 GLN A 40 16.744 -1.315 0.862 1.00 0.00 O ATOM 628 NE2 GLN A 40 15.536 -3.142 1.141 1.00 0.00 N ATOM 0 H GLN A 40 12.383 2.585 1.165 1.00 0.00 H new ATOM 0 HA GLN A 40 12.996 1.011 -0.282 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.522 0.407 1.596 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.403 -0.879 2.005 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.737 -1.928 -0.198 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.757 -0.599 -0.712 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.638 -3.615 1.044 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.332 -3.637 1.542 1.00 0.00 H new ATOM 637 N ASN A 41 10.144 0.347 0.333 1.00 0.00 N ATOM 638 CA ASN A 41 8.908 -0.313 -0.077 1.00 0.00 C ATOM 639 C ASN A 41 7.771 0.704 -0.146 1.00 0.00 C ATOM 640 O ASN A 41 7.495 1.385 0.844 1.00 0.00 O ATOM 641 CB ASN A 41 8.569 -1.376 0.964 1.00 0.00 C ATOM 642 CG ASN A 41 7.411 -2.251 0.545 1.00 0.00 C ATOM 643 OD1 ASN A 41 6.299 -1.770 0.399 1.00 0.00 O ATOM 644 ND2 ASN A 41 7.629 -3.547 0.371 1.00 0.00 N ATOM 0 H ASN A 41 9.997 1.267 0.749 1.00 0.00 H new ATOM 0 HA ASN A 41 9.037 -0.765 -1.061 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.446 -1.999 1.140 1.00 0.00 H new ATOM 0 HB3 ASN A 41 8.329 -0.890 1.909 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.859 -4.163 0.110 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.567 -3.928 0.498 1.00 0.00 H new ATOM 651 N ARG A 42 7.084 0.797 -1.282 1.00 0.00 N ATOM 652 CA ARG A 42 5.978 1.688 -1.543 1.00 0.00 C ATOM 653 C ARG A 42 4.871 0.908 -2.265 1.00 0.00 C ATOM 654 O ARG A 42 5.163 -0.044 -2.991 1.00 0.00 O ATOM 655 CB ARG A 42 6.594 2.808 -2.391 1.00 0.00 C ATOM 656 CG ARG A 42 5.613 3.396 -3.390 1.00 0.00 C ATOM 657 CD ARG A 42 6.247 4.495 -4.206 1.00 0.00 C ATOM 658 NE ARG A 42 7.394 4.069 -5.025 1.00 0.00 N ATOM 659 CZ ARG A 42 7.877 4.778 -6.051 1.00 0.00 C ATOM 660 NH1 ARG A 42 7.365 5.962 -6.355 1.00 0.00 N ATOM 661 NH2 ARG A 42 8.871 4.296 -6.775 1.00 0.00 N ATOM 0 H ARG A 42 7.306 0.213 -2.088 1.00 0.00 H new ATOM 0 HA ARG A 42 5.507 2.105 -0.653 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.954 3.599 -1.734 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.460 2.418 -2.925 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.253 2.610 -4.054 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.745 3.789 -2.861 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.490 4.925 -4.861 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.573 5.287 -3.532 1.00 0.00 H new ATOM 0 HE ARG A 42 7.846 3.183 -4.797 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.595 6.341 -5.804 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.741 6.494 -7.140 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.269 3.384 -6.551 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.240 4.836 -7.558 1.00 0.00 H new ATOM 675 N LEU A 43 3.618 1.344 -2.093 1.00 0.00 N ATOM 676 CA LEU A 43 2.419 0.762 -2.700 1.00 0.00 C ATOM 677 C LEU A 43 2.134 1.519 -4.003 1.00 0.00 C ATOM 678 O LEU A 43 2.261 2.746 -4.045 1.00 0.00 O ATOM 679 CB LEU A 43 1.205 0.911 -1.756 1.00 0.00 C ATOM 680 CG LEU A 43 1.113 -0.027 -0.533 1.00 0.00 C ATOM 681 CD1 LEU A 43 0.799 -1.469 -0.942 1.00 0.00 C ATOM 682 CD2 LEU A 43 2.341 0.046 0.381 1.00 0.00 C ATOM 0 H LEU A 43 3.404 2.147 -1.501 1.00 0.00 H new ATOM 0 HA LEU A 43 2.583 -0.299 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.192 1.938 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.302 0.773 -2.350 1.00 0.00 H new ATOM 0 HG LEU A 43 0.274 0.339 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.743 -2.096 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.156 -1.499 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.586 -1.841 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.211 -0.637 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.231 -0.236 -0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.456 1.063 0.756 1.00 0.00 H new ATOM 694 N ILE A 44 1.629 0.814 -5.020 1.00 0.00 N ATOM 695 CA ILE A 44 1.316 1.338 -6.346 1.00 0.00 C ATOM 696 C ILE A 44 -0.079 0.874 -6.798 1.00 0.00 C ATOM 697 O ILE A 44 -0.233 -0.267 -7.239 1.00 0.00 O ATOM 698 CB ILE A 44 2.409 0.884 -7.346 1.00 0.00 C ATOM 699 CG1 ILE A 44 3.855 1.255 -6.962 1.00 0.00 C ATOM 700 CG2 ILE A 44 2.091 1.406 -8.751 1.00 0.00 C ATOM 701 CD1 ILE A 44 4.186 2.750 -6.924 1.00 0.00 C ATOM 0 H ILE A 44 1.419 -0.181 -4.934 1.00 0.00 H new ATOM 0 HA ILE A 44 1.301 2.427 -6.311 1.00 0.00 H new ATOM 0 HB ILE A 44 2.378 -0.205 -7.318 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.067 0.833 -5.980 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.531 0.773 -7.669 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.866 1.080 -9.444 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.127 1.014 -9.075 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.053 2.495 -8.735 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.230 2.884 -6.642 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.017 3.185 -7.909 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.546 3.246 -6.194 1.00 0.00 H new ATOM 713 N PHE A 45 -1.112 1.705 -6.669 1.00 0.00 N ATOM 714 CA PHE A 45 -2.488 1.389 -7.077 1.00 0.00 C ATOM 715 C PHE A 45 -2.618 1.650 -8.577 1.00 0.00 C ATOM 716 O PHE A 45 -2.779 2.802 -8.981 1.00 0.00 O ATOM 717 CB PHE A 45 -3.498 2.254 -6.289 1.00 0.00 C ATOM 718 CG PHE A 45 -4.873 2.376 -6.924 1.00 0.00 C ATOM 719 CD1 PHE A 45 -5.422 3.646 -7.187 1.00 0.00 C ATOM 720 CD2 PHE A 45 -5.576 1.220 -7.307 1.00 0.00 C ATOM 721 CE1 PHE A 45 -6.663 3.762 -7.838 1.00 0.00 C ATOM 722 CE2 PHE A 45 -6.798 1.337 -7.995 1.00 0.00 C ATOM 723 CZ PHE A 45 -7.344 2.606 -8.258 1.00 0.00 C ATOM 0 H PHE A 45 -1.018 2.639 -6.269 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.707 0.343 -6.862 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.612 1.833 -5.290 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.080 3.254 -6.168 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.887 4.535 -6.887 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.179 0.243 -7.073 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.092 4.737 -8.015 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.318 0.449 -8.322 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.285 2.692 -8.782 1.00 0.00 H new ATOM 733 N ALA A 46 -2.585 0.606 -9.409 1.00 0.00 N ATOM 734 CA ALA A 46 -2.696 0.706 -10.862 1.00 0.00 C ATOM 735 C ALA A 46 -1.772 1.807 -11.395 1.00 0.00 C ATOM 736 O ALA A 46 -2.201 2.716 -12.103 1.00 0.00 O ATOM 737 CB ALA A 46 -4.165 0.909 -11.249 1.00 0.00 C ATOM 0 H ALA A 46 -2.478 -0.354 -9.081 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.364 -0.221 -11.330 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.249 0.984 -12.333 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.754 0.062 -10.897 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.538 1.826 -10.792 1.00 0.00 H new ATOM 743 N GLY A 47 -0.517 1.789 -10.955 1.00 0.00 N ATOM 744 CA GLY A 47 0.494 2.756 -11.345 1.00 0.00 C ATOM 745 C GLY A 47 0.530 4.017 -10.478 1.00 0.00 C ATOM 746 O GLY A 47 1.566 4.686 -10.452 1.00 0.00 O ATOM 0 H GLY A 47 -0.171 1.085 -10.303 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.472 2.276 -11.308 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.321 3.047 -12.381 1.00 0.00 H new ATOM 750 N LYS A 48 -0.547 4.362 -9.764 1.00 0.00 N ATOM 751 CA LYS A 48 -0.601 5.540 -8.906 1.00 0.00 C ATOM 752 C LYS A 48 0.315 5.308 -7.719 1.00 0.00 C ATOM 753 O LYS A 48 0.160 4.309 -7.019 1.00 0.00 O ATOM 754 CB LYS A 48 -2.046 5.819 -8.470 1.00 0.00 C ATOM 755 CG LYS A 48 -2.174 7.056 -7.567 1.00 0.00 C ATOM 756 CD LYS A 48 -3.428 7.885 -7.858 1.00 0.00 C ATOM 757 CE LYS A 48 -3.336 8.536 -9.246 1.00 0.00 C ATOM 758 NZ LYS A 48 -4.193 9.733 -9.343 1.00 0.00 N ATOM 0 H LYS A 48 -1.412 3.822 -9.769 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.260 6.422 -9.448 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.666 5.957 -9.356 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.434 4.949 -7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.190 6.737 -6.525 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.293 7.684 -7.695 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.311 7.248 -7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.546 8.656 -7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.301 8.811 -9.452 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.631 7.814 -10.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.106 10.146 -10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.183 9.466 -9.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.895 10.432 -8.633 1.00 0.00 H new ATOM 772 N GLN A 49 1.274 6.203 -7.509 1.00 0.00 N ATOM 773 CA GLN A 49 2.225 6.093 -6.412 1.00 0.00 C ATOM 774 C GLN A 49 1.508 6.570 -5.156 1.00 0.00 C ATOM 775 O GLN A 49 0.874 7.629 -5.192 1.00 0.00 O ATOM 776 CB GLN A 49 3.494 6.929 -6.658 1.00 0.00 C ATOM 777 CG GLN A 49 4.152 6.717 -8.031 1.00 0.00 C ATOM 778 CD GLN A 49 3.611 7.691 -9.076 1.00 0.00 C ATOM 779 OE1 GLN A 49 3.998 8.857 -9.102 1.00 0.00 O ATOM 780 NE2 GLN A 49 2.722 7.270 -9.961 1.00 0.00 N ATOM 0 H GLN A 49 1.413 7.026 -8.096 1.00 0.00 H new ATOM 0 HA GLN A 49 2.557 5.060 -6.314 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.243 7.984 -6.551 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.222 6.694 -5.882 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.231 6.843 -7.940 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.978 5.694 -8.363 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.400 6.302 -9.940 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.358 7.913 -10.664 1.00 0.00 H new ATOM 789 N LEU A 50 1.622 5.819 -4.061 1.00 0.00 N ATOM 790 CA LEU A 50 0.974 6.125 -2.791 1.00 0.00 C ATOM 791 C LEU A 50 2.020 6.246 -1.694 1.00 0.00 C ATOM 792 O LEU A 50 2.949 5.433 -1.638 1.00 0.00 O ATOM 793 CB LEU A 50 0.004 4.987 -2.416 1.00 0.00 C ATOM 794 CG LEU A 50 -0.971 4.563 -3.528 1.00 0.00 C ATOM 795 CD1 LEU A 50 -1.770 3.345 -3.078 1.00 0.00 C ATOM 796 CD2 LEU A 50 -1.932 5.689 -3.901 1.00 0.00 C ATOM 0 H LEU A 50 2.179 4.965 -4.034 1.00 0.00 H new ATOM 0 HA LEU A 50 0.430 7.064 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.589 4.117 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.575 5.297 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.379 4.319 -4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.459 3.049 -3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.089 2.522 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.335 3.592 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.603 5.348 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.516 5.974 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.364 6.550 -4.255 1.00 0.00 H new ATOM 808 N GLU A 51 1.878 7.234 -0.818 1.00 0.00 N ATOM 809 CA GLU A 51 2.768 7.477 0.302 1.00 0.00 C ATOM 810 C GLU A 51 1.970 8.106 1.443 1.00 0.00 C ATOM 811 O GLU A 51 0.785 8.404 1.294 1.00 0.00 O ATOM 812 CB GLU A 51 3.980 8.318 -0.127 1.00 0.00 C ATOM 813 CG GLU A 51 3.843 9.827 0.080 1.00 0.00 C ATOM 814 CD GLU A 51 5.050 10.554 -0.502 1.00 0.00 C ATOM 815 OE1 GLU A 51 6.114 10.569 0.162 1.00 0.00 O ATOM 816 OE2 GLU A 51 4.979 11.094 -1.630 1.00 0.00 O ATOM 0 H GLU A 51 1.114 7.908 -0.873 1.00 0.00 H new ATOM 0 HA GLU A 51 3.181 6.535 0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.854 7.971 0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.175 8.130 -1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.930 10.185 -0.397 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.755 10.048 1.144 1.00 0.00 H new ATOM 823 N ASP A 52 2.621 8.269 2.590 1.00 0.00 N ATOM 824 CA ASP A 52 2.039 8.853 3.788 1.00 0.00 C ATOM 825 C ASP A 52 1.556 10.304 3.640 1.00 0.00 C ATOM 826 O ASP A 52 1.716 10.957 2.607 1.00 0.00 O ATOM 827 CB ASP A 52 2.999 8.702 4.980 1.00 0.00 C ATOM 828 CG ASP A 52 4.334 9.418 4.781 1.00 0.00 C ATOM 829 OD1 ASP A 52 4.377 10.649 4.575 1.00 0.00 O ATOM 830 OD2 ASP A 52 5.365 8.706 4.769 1.00 0.00 O ATOM 0 H ASP A 52 3.594 7.990 2.713 1.00 0.00 H new ATOM 0 HA ASP A 52 1.129 8.283 3.974 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.517 9.092 5.876 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.186 7.642 5.154 1.00 0.00 H new ATOM 835 N GLY A 53 0.896 10.791 4.696 1.00 0.00 N ATOM 836 CA GLY A 53 0.346 12.134 4.798 1.00 0.00 C ATOM 837 C GLY A 53 -1.026 12.305 4.147 1.00 0.00 C ATOM 838 O GLY A 53 -1.558 13.415 4.163 1.00 0.00 O ATOM 0 H GLY A 53 0.727 10.233 5.533 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.271 12.404 5.851 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.043 12.835 4.338 1.00 0.00 H new ATOM 842 N ARG A 54 -1.603 11.248 3.568 1.00 0.00 N ATOM 843 CA ARG A 54 -2.910 11.260 2.911 1.00 0.00 C ATOM 844 C ARG A 54 -3.688 10.006 3.287 1.00 0.00 C ATOM 845 O ARG A 54 -3.163 9.147 4.003 1.00 0.00 O ATOM 846 CB ARG A 54 -2.777 11.358 1.402 1.00 0.00 C ATOM 847 CG ARG A 54 -1.577 12.182 0.950 1.00 0.00 C ATOM 848 CD ARG A 54 -1.862 12.625 -0.460 1.00 0.00 C ATOM 849 NE ARG A 54 -0.631 13.075 -1.123 1.00 0.00 N ATOM 850 CZ ARG A 54 -0.574 13.993 -2.090 1.00 0.00 C ATOM 851 NH1 ARG A 54 -1.683 14.470 -2.645 1.00 0.00 N ATOM 852 NH2 ARG A 54 0.608 14.429 -2.507 1.00 0.00 N ATOM 0 H ARG A 54 -1.157 10.331 3.544 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.451 12.142 3.254 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.695 10.354 0.986 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.686 11.799 0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.430 13.042 1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.663 11.590 0.992 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.304 11.802 -1.022 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.593 13.434 -0.451 1.00 0.00 H new ATOM 0 HE ARG A 54 0.248 12.654 -0.821 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.594 14.135 -2.333 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.623 15.171 -3.383 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.463 14.063 -2.089 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.661 15.130 -3.246 1.00 0.00 H new ATOM 866 N THR A 55 -4.890 9.863 2.741 1.00 0.00 N ATOM 867 CA THR A 55 -5.773 8.727 2.968 1.00 0.00 C ATOM 868 C THR A 55 -6.095 8.003 1.672 1.00 0.00 C ATOM 869 O THR A 55 -5.806 8.482 0.570 1.00 0.00 O ATOM 870 CB THR A 55 -7.081 9.177 3.635 1.00 0.00 C ATOM 871 OG1 THR A 55 -7.777 10.092 2.808 1.00 0.00 O ATOM 872 CG2 THR A 55 -6.879 9.777 5.013 1.00 0.00 C ATOM 0 H THR A 55 -5.289 10.557 2.108 1.00 0.00 H new ATOM 0 HA THR A 55 -5.246 8.040 3.630 1.00 0.00 H new ATOM 0 HB THR A 55 -7.676 8.274 3.767 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.450 11.000 2.978 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.843 10.073 5.426 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.416 9.038 5.667 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.233 10.651 4.938 1.00 0.00 H new ATOM 880 N LEU A 56 -6.742 6.848 1.817 1.00 0.00 N ATOM 881 CA LEU A 56 -7.171 6.019 0.704 1.00 0.00 C ATOM 882 C LEU A 56 -8.163 6.812 -0.160 1.00 0.00 C ATOM 883 O LEU A 56 -8.184 6.670 -1.386 1.00 0.00 O ATOM 884 CB LEU A 56 -7.821 4.753 1.283 1.00 0.00 C ATOM 885 CG LEU A 56 -7.634 3.519 0.387 1.00 0.00 C ATOM 886 CD1 LEU A 56 -7.057 2.355 1.188 1.00 0.00 C ATOM 887 CD2 LEU A 56 -8.954 3.100 -0.251 1.00 0.00 C ATOM 0 H LEU A 56 -6.984 6.460 2.729 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.330 5.733 0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.395 4.550 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.886 4.932 1.428 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.935 3.788 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.932 1.491 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.089 2.641 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.737 2.100 2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.792 2.224 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.675 2.858 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.340 3.918 -0.860 1.00 0.00 H new ATOM 899 N SER A 57 -8.975 7.667 0.480 1.00 0.00 N ATOM 900 CA SER A 57 -9.954 8.494 -0.204 1.00 0.00 C ATOM 901 C SER A 57 -9.272 9.694 -0.866 1.00 0.00 C ATOM 902 O SER A 57 -9.717 10.112 -1.936 1.00 0.00 O ATOM 903 CB SER A 57 -11.040 8.942 0.778 1.00 0.00 C ATOM 904 OG SER A 57 -12.316 8.986 0.170 1.00 0.00 O ATOM 0 H SER A 57 -8.963 7.797 1.492 1.00 0.00 H new ATOM 0 HA SER A 57 -10.429 7.907 -0.990 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.066 8.259 1.627 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.791 9.928 1.170 1.00 0.00 H new ATOM 0 HG SER A 57 -12.982 9.274 0.828 1.00 0.00 H new ATOM 910 N ASP A 58 -8.197 10.257 -0.292 1.00 0.00 N ATOM 911 CA ASP A 58 -7.496 11.402 -0.902 1.00 0.00 C ATOM 912 C ASP A 58 -6.875 10.947 -2.217 1.00 0.00 C ATOM 913 O ASP A 58 -6.837 11.702 -3.189 1.00 0.00 O ATOM 914 CB ASP A 58 -6.368 11.968 -0.036 1.00 0.00 C ATOM 915 CG ASP A 58 -6.859 12.745 1.182 1.00 0.00 C ATOM 916 OD1 ASP A 58 -6.487 12.357 2.314 1.00 0.00 O ATOM 917 OD2 ASP A 58 -7.611 13.731 1.025 1.00 0.00 O ATOM 0 H ASP A 58 -7.794 9.941 0.590 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.241 12.187 -1.032 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.733 11.148 0.299 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.747 12.623 -0.647 1.00 0.00 H new ATOM 922 N TYR A 59 -6.368 9.712 -2.258 1.00 0.00 N ATOM 923 CA TYR A 59 -5.780 9.133 -3.459 1.00 0.00 C ATOM 924 C TYR A 59 -6.879 8.544 -4.371 1.00 0.00 C ATOM 925 O TYR A 59 -6.574 8.046 -5.459 1.00 0.00 O ATOM 926 CB TYR A 59 -4.746 8.067 -3.076 1.00 0.00 C ATOM 927 CG TYR A 59 -3.375 8.622 -2.733 1.00 0.00 C ATOM 928 CD1 TYR A 59 -2.515 9.050 -3.765 1.00 0.00 C ATOM 929 CD2 TYR A 59 -2.923 8.641 -1.401 1.00 0.00 C ATOM 930 CE1 TYR A 59 -1.200 9.454 -3.475 1.00 0.00 C ATOM 931 CE2 TYR A 59 -1.612 9.055 -1.107 1.00 0.00 C ATOM 932 CZ TYR A 59 -0.741 9.451 -2.140 1.00 0.00 C ATOM 933 OH TYR A 59 0.538 9.790 -1.828 1.00 0.00 O ATOM 0 H TYR A 59 -6.356 9.086 -1.453 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.271 9.918 -4.018 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.121 7.504 -2.222 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.644 7.363 -3.902 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.869 9.068 -4.785 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.584 8.337 -0.603 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.542 9.766 -4.272 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.271 9.069 -0.082 1.00 0.00 H new ATOM 0 HH TYR A 59 0.611 9.936 -0.862 1.00 0.00 H new ATOM 943 N ASN A 60 -8.149 8.637 -3.952 1.00 0.00 N ATOM 944 CA ASN A 60 -9.372 8.158 -4.590 1.00 0.00 C ATOM 945 C ASN A 60 -9.188 6.753 -5.163 1.00 0.00 C ATOM 946 O ASN A 60 -9.139 6.536 -6.379 1.00 0.00 O ATOM 947 CB ASN A 60 -9.939 9.162 -5.601 1.00 0.00 C ATOM 948 CG ASN A 60 -11.214 8.612 -6.182 1.00 0.00 C ATOM 949 OD1 ASN A 60 -12.123 8.158 -5.494 1.00 0.00 O ATOM 950 ND2 ASN A 60 -11.234 8.517 -7.491 1.00 0.00 N ATOM 0 H ASN A 60 -8.361 9.098 -3.067 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.135 8.076 -3.816 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.130 10.118 -5.114 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.214 9.347 -6.394 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.017 8.058 -7.957 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.467 8.902 -8.042 1.00 0.00 H new ATOM 957 N ILE A 61 -9.098 5.786 -4.258 1.00 0.00 N ATOM 958 CA ILE A 61 -8.911 4.374 -4.562 1.00 0.00 C ATOM 959 C ILE A 61 -10.215 3.672 -4.205 1.00 0.00 C ATOM 960 O ILE A 61 -10.835 3.988 -3.182 1.00 0.00 O ATOM 961 CB ILE A 61 -7.713 3.802 -3.761 1.00 0.00 C ATOM 962 CG1 ILE A 61 -6.468 4.709 -3.895 1.00 0.00 C ATOM 963 CG2 ILE A 61 -7.422 2.342 -4.176 1.00 0.00 C ATOM 964 CD1 ILE A 61 -5.263 4.221 -3.094 1.00 0.00 C ATOM 0 H ILE A 61 -9.155 5.971 -3.257 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.679 4.221 -5.616 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.981 3.789 -2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.190 4.777 -4.947 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.726 5.716 -3.568 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.578 1.962 -3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.300 1.726 -3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.182 2.307 -5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.429 4.907 -3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.522 4.180 -2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.977 3.226 -3.436 1.00 0.00 H new ATOM 976 N GLN A 62 -10.645 2.742 -5.055 1.00 0.00 N ATOM 977 CA GLN A 62 -11.846 1.949 -4.882 1.00 0.00 C ATOM 978 C GLN A 62 -11.440 0.579 -4.332 1.00 0.00 C ATOM 979 O GLN A 62 -10.271 0.178 -4.403 1.00 0.00 O ATOM 980 CB GLN A 62 -12.594 1.850 -6.216 1.00 0.00 C ATOM 981 CG GLN A 62 -13.119 3.222 -6.667 1.00 0.00 C ATOM 982 CD GLN A 62 -12.043 4.145 -7.231 1.00 0.00 C ATOM 983 OE1 GLN A 62 -11.338 3.807 -8.179 1.00 0.00 O ATOM 984 NE2 GLN A 62 -11.833 5.299 -6.619 1.00 0.00 N ATOM 0 H GLN A 62 -10.143 2.517 -5.914 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.529 2.414 -4.171 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.929 1.444 -6.979 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.427 1.154 -6.117 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.889 3.074 -7.424 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.596 3.713 -5.819 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.422 5.574 -5.833 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.082 5.914 -6.934 1.00 0.00 H new ATOM 993 N LYS A 63 -12.411 -0.130 -3.766 1.00 0.00 N ATOM 994 CA LYS A 63 -12.209 -1.444 -3.178 1.00 0.00 C ATOM 995 C LYS A 63 -11.833 -2.480 -4.238 1.00 0.00 C ATOM 996 O LYS A 63 -11.929 -2.241 -5.445 1.00 0.00 O ATOM 997 CB LYS A 63 -13.437 -1.826 -2.340 1.00 0.00 C ATOM 998 CG LYS A 63 -14.718 -1.860 -3.180 1.00 0.00 C ATOM 999 CD LYS A 63 -15.924 -2.348 -2.381 1.00 0.00 C ATOM 1000 CE LYS A 63 -17.038 -2.679 -3.373 1.00 0.00 C ATOM 1001 NZ LYS A 63 -18.250 -3.158 -2.690 1.00 0.00 N ATOM 0 H LYS A 63 -13.374 0.200 -3.703 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.357 -1.416 -2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.276 -2.803 -1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.557 -1.111 -1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.922 -0.862 -3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.568 -2.512 -4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.662 -3.228 -1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.253 -1.582 -1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.278 -1.793 -3.960 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.689 -3.440 -4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.984 -3.373 -3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.027 -4.018 -2.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.597 -2.422 -2.042 1.00 0.00 H new ATOM 1015 N GLU A 64 -11.411 -3.645 -3.755 1.00 0.00 N ATOM 1016 CA GLU A 64 -10.963 -4.816 -4.509 1.00 0.00 C ATOM 1017 C GLU A 64 -9.860 -4.499 -5.541 1.00 0.00 C ATOM 1018 O GLU A 64 -9.656 -5.273 -6.483 1.00 0.00 O ATOM 1019 CB GLU A 64 -12.161 -5.561 -5.130 1.00 0.00 C ATOM 1020 CG GLU A 64 -12.976 -6.412 -4.152 1.00 0.00 C ATOM 1021 CD GLU A 64 -14.006 -5.618 -3.359 1.00 0.00 C ATOM 1022 OE1 GLU A 64 -13.874 -5.560 -2.116 1.00 0.00 O ATOM 1023 OE2 GLU A 64 -15.006 -5.149 -3.952 1.00 0.00 O ATOM 0 H GLU A 64 -11.369 -3.809 -2.749 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.489 -5.488 -3.794 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.825 -4.829 -5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.794 -6.205 -5.929 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.486 -7.199 -4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.295 -6.903 -3.457 1.00 0.00 H new ATOM 1030 N SER A 65 -9.165 -3.364 -5.401 1.00 0.00 N ATOM 1031 CA SER A 65 -8.094 -2.959 -6.296 1.00 0.00 C ATOM 1032 C SER A 65 -6.845 -3.826 -6.081 1.00 0.00 C ATOM 1033 O SER A 65 -6.836 -4.715 -5.227 1.00 0.00 O ATOM 1034 CB SER A 65 -7.851 -1.451 -6.131 1.00 0.00 C ATOM 1035 OG SER A 65 -7.923 -1.032 -4.782 1.00 0.00 O ATOM 0 H SER A 65 -9.339 -2.697 -4.649 1.00 0.00 H new ATOM 0 HA SER A 65 -8.377 -3.125 -7.336 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.870 -1.199 -6.534 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.587 -0.902 -6.718 1.00 0.00 H new ATOM 0 HG SER A 65 -8.855 -0.835 -4.550 1.00 0.00 H new ATOM 1041 N THR A 66 -5.800 -3.612 -6.885 1.00 0.00 N ATOM 1042 CA THR A 66 -4.553 -4.358 -6.804 1.00 0.00 C ATOM 1043 C THR A 66 -3.474 -3.297 -6.665 1.00 0.00 C ATOM 1044 O THR A 66 -3.368 -2.389 -7.496 1.00 0.00 O ATOM 1045 CB THR A 66 -4.373 -5.294 -8.015 1.00 0.00 C ATOM 1046 OG1 THR A 66 -5.402 -6.266 -8.053 1.00 0.00 O ATOM 1047 CG2 THR A 66 -3.044 -6.060 -7.954 1.00 0.00 C ATOM 0 H THR A 66 -5.802 -2.904 -7.619 1.00 0.00 H new ATOM 0 HA THR A 66 -4.519 -5.041 -5.955 1.00 0.00 H new ATOM 0 HB THR A 66 -4.398 -4.655 -8.898 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.272 -6.850 -8.829 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.957 -6.708 -8.826 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.216 -5.351 -7.945 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.014 -6.665 -7.048 1.00 0.00 H new ATOM 1055 N LEU A 67 -2.729 -3.365 -5.565 1.00 0.00 N ATOM 1056 CA LEU A 67 -1.658 -2.446 -5.239 1.00 0.00 C ATOM 1057 C LEU A 67 -0.357 -3.229 -5.351 1.00 0.00 C ATOM 1058 O LEU A 67 -0.204 -4.284 -4.744 1.00 0.00 O ATOM 1059 CB LEU A 67 -1.880 -1.822 -3.852 1.00 0.00 C ATOM 1060 CG LEU A 67 -2.870 -0.638 -3.862 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -4.300 -0.983 -4.303 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -2.976 0.013 -2.487 1.00 0.00 C ATOM 0 H LEU A 67 -2.864 -4.087 -4.857 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.625 -1.601 -5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.250 -2.589 -3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.922 -1.482 -3.458 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.441 0.036 -4.603 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.916 -0.084 -4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.282 -1.380 -5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.718 -1.730 -3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.681 0.843 -2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.325 -0.722 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.997 0.385 -2.184 1.00 0.00 H new ATOM 1074 N HIS A 68 0.551 -2.776 -6.202 1.00 0.00 N ATOM 1075 CA HIS A 68 1.833 -3.426 -6.415 1.00 0.00 C ATOM 1076 C HIS A 68 2.833 -2.889 -5.398 1.00 0.00 C ATOM 1077 O HIS A 68 2.769 -1.704 -5.063 1.00 0.00 O ATOM 1078 CB HIS A 68 2.308 -3.148 -7.852 1.00 0.00 C ATOM 1079 CG HIS A 68 2.634 -4.425 -8.573 1.00 0.00 C ATOM 1080 ND1 HIS A 68 3.732 -5.202 -8.304 1.00 0.00 N ATOM 1081 CD2 HIS A 68 1.886 -5.049 -9.536 1.00 0.00 C ATOM 1082 CE1 HIS A 68 3.659 -6.275 -9.113 1.00 0.00 C ATOM 1083 NE2 HIS A 68 2.553 -6.228 -9.875 1.00 0.00 N ATOM 0 H HIS A 68 0.416 -1.939 -6.769 1.00 0.00 H new ATOM 0 HA HIS A 68 1.742 -4.504 -6.283 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.533 -2.608 -8.396 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.188 -2.505 -7.829 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.955 -4.696 -9.954 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.391 -7.068 -9.146 1.00 0.00 H new ATOM 0 HE2 HIS A 68 2.258 -6.918 -10.566 1.00 0.00 H new ATOM 1090 N LEU A 69 3.735 -3.729 -4.896 1.00 0.00 N ATOM 1091 CA LEU A 69 4.763 -3.323 -3.945 1.00 0.00 C ATOM 1092 C LEU A 69 6.044 -3.198 -4.752 1.00 0.00 C ATOM 1093 O LEU A 69 6.389 -4.116 -5.497 1.00 0.00 O ATOM 1094 CB LEU A 69 4.954 -4.347 -2.815 1.00 0.00 C ATOM 1095 CG LEU A 69 3.781 -4.377 -1.821 1.00 0.00 C ATOM 1096 CD1 LEU A 69 3.800 -5.664 -0.997 1.00 0.00 C ATOM 1097 CD2 LEU A 69 3.841 -3.224 -0.822 1.00 0.00 C ATOM 0 H LEU A 69 3.772 -4.718 -5.141 1.00 0.00 H new ATOM 0 HA LEU A 69 4.479 -2.389 -3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.079 -5.339 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.873 -4.117 -2.276 1.00 0.00 H new ATOM 0 HG LEU A 69 2.878 -4.302 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.961 -5.663 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.718 -6.523 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.734 -5.725 -0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.992 -3.288 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.768 -3.284 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.805 -2.276 -1.358 1.00 0.00 H new ATOM 1109 N VAL A 70 6.717 -2.057 -4.649 1.00 0.00 N ATOM 1110 CA VAL A 70 7.969 -1.804 -5.347 1.00 0.00 C ATOM 1111 C VAL A 70 8.924 -1.186 -4.339 1.00 0.00 C ATOM 1112 O VAL A 70 8.529 -0.340 -3.527 1.00 0.00 O ATOM 1113 CB VAL A 70 7.773 -0.938 -6.611 1.00 0.00 C ATOM 1114 CG1 VAL A 70 6.920 -1.667 -7.660 1.00 0.00 C ATOM 1115 CG2 VAL A 70 7.145 0.431 -6.320 1.00 0.00 C ATOM 0 H VAL A 70 6.404 -1.275 -4.073 1.00 0.00 H new ATOM 0 HA VAL A 70 8.390 -2.735 -5.728 1.00 0.00 H new ATOM 0 HB VAL A 70 8.777 -0.767 -7.000 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.800 -1.031 -8.537 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.413 -2.595 -7.949 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.940 -1.893 -7.239 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.036 0.987 -7.251 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.165 0.292 -5.863 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.787 0.988 -5.638 1.00 0.00 H new ATOM 1125 N LEU A 71 10.186 -1.610 -4.390 1.00 0.00 N ATOM 1126 CA LEU A 71 11.197 -1.099 -3.487 1.00 0.00 C ATOM 1127 C LEU A 71 11.674 0.255 -3.991 1.00 0.00 C ATOM 1128 O LEU A 71 11.640 0.525 -5.192 1.00 0.00 O ATOM 1129 CB LEU A 71 12.320 -2.135 -3.273 1.00 0.00 C ATOM 1130 CG LEU A 71 13.234 -2.459 -4.472 1.00 0.00 C ATOM 1131 CD1 LEU A 71 14.327 -1.405 -4.673 1.00 0.00 C ATOM 1132 CD2 LEU A 71 13.953 -3.792 -4.234 1.00 0.00 C ATOM 0 H LEU A 71 10.526 -2.308 -5.052 1.00 0.00 H new ATOM 0 HA LEU A 71 10.779 -0.935 -2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.950 -1.783 -2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.859 -3.065 -2.941 1.00 0.00 H new ATOM 0 HG LEU A 71 12.588 -2.491 -5.350 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.944 -1.679 -5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.867 -0.433 -4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.950 -1.352 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.597 -4.015 -5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.557 -3.723 -3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 71 13.216 -4.587 -4.118 1.00 0.00 H new ATOM 1144 N ARG A 72 12.094 1.134 -3.080 1.00 0.00 N ATOM 1145 CA ARG A 72 12.595 2.463 -3.354 1.00 0.00 C ATOM 1146 C ARG A 72 13.231 2.944 -2.070 1.00 0.00 C ATOM 1147 O ARG A 72 12.561 3.245 -1.084 1.00 0.00 O ATOM 1148 CB ARG A 72 11.512 3.413 -3.867 1.00 0.00 C ATOM 1149 CG ARG A 72 12.178 4.436 -4.801 1.00 0.00 C ATOM 1150 CD ARG A 72 12.712 5.648 -4.043 1.00 0.00 C ATOM 1151 NE ARG A 72 13.374 6.569 -4.974 1.00 0.00 N ATOM 1152 CZ ARG A 72 14.521 7.226 -4.779 1.00 0.00 C ATOM 1153 NH1 ARG A 72 15.273 7.008 -3.702 1.00 0.00 N ATOM 1154 NH2 ARG A 72 14.901 8.119 -5.682 1.00 0.00 N ATOM 0 H ARG A 72 12.090 0.918 -2.083 1.00 0.00 H new ATOM 0 HA ARG A 72 13.324 2.439 -4.164 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.740 2.858 -4.399 1.00 0.00 H new ATOM 0 HB3 ARG A 72 11.024 3.919 -3.034 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.996 3.956 -5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.457 4.766 -5.548 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.894 6.158 -3.533 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.415 5.326 -3.275 1.00 0.00 H new ATOM 0 HE ARG A 72 12.908 6.725 -5.868 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.977 6.327 -3.003 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.145 7.522 -3.576 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.322 8.292 -6.504 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.773 8.633 -5.555 1.00 0.00 H new ATOM 1168 N LEU A 73 14.542 2.852 -2.090 1.00 0.00 N ATOM 1169 CA LEU A 73 15.499 3.182 -1.056 1.00 0.00 C ATOM 1170 C LEU A 73 15.568 4.670 -0.725 1.00 0.00 C ATOM 1171 O LEU A 73 14.872 5.494 -1.323 1.00 0.00 O ATOM 1172 CB LEU A 73 16.843 2.683 -1.610 1.00 0.00 C ATOM 1173 CG LEU A 73 17.387 1.486 -0.835 1.00 0.00 C ATOM 1174 CD1 LEU A 73 18.479 0.837 -1.677 1.00 0.00 C ATOM 1175 CD2 LEU A 73 17.905 1.912 0.536 1.00 0.00 C ATOM 0 H LEU A 73 15.016 2.506 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 73 15.215 2.717 -0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.721 2.408 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.570 3.494 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 73 16.593 0.762 -0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 73 18.886 -0.023 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.059 0.510 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 73 19.274 1.559 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 73 18.287 1.040 1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.706 2.641 0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 73 17.093 2.359 1.109 1.00 0.00 H new ATOM 1187 N ARG A 74 16.413 4.996 0.256 1.00 0.00 N ATOM 1188 CA ARG A 74 16.677 6.349 0.736 1.00 0.00 C ATOM 1189 C ARG A 74 17.422 7.161 -0.325 1.00 0.00 C ATOM 1190 O ARG A 74 17.706 6.668 -1.416 1.00 0.00 O ATOM 1191 CB ARG A 74 17.446 6.289 2.071 1.00 0.00 C ATOM 1192 CG ARG A 74 18.793 5.560 1.987 1.00 0.00 C ATOM 1193 CD ARG A 74 19.621 5.817 3.244 1.00 0.00 C ATOM 1194 NE ARG A 74 20.833 4.997 3.216 1.00 0.00 N ATOM 1195 CZ ARG A 74 21.636 4.710 4.238 1.00 0.00 C ATOM 1196 NH1 ARG A 74 21.518 5.335 5.404 1.00 0.00 N ATOM 1197 NH2 ARG A 74 22.569 3.787 4.081 1.00 0.00 N ATOM 0 H ARG A 74 16.954 4.291 0.757 1.00 0.00 H new ATOM 0 HA ARG A 74 15.732 6.860 0.920 1.00 0.00 H new ATOM 0 HB2 ARG A 74 17.617 7.306 2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 74 16.823 5.793 2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 74 18.627 4.489 1.867 1.00 0.00 H new ATOM 0 HG3 ARG A 74 19.342 5.898 1.108 1.00 0.00 H new ATOM 0 HD2 ARG A 74 19.886 6.872 3.306 1.00 0.00 H new ATOM 0 HD3 ARG A 74 19.033 5.583 4.132 1.00 0.00 H new ATOM 0 HE ARG A 74 21.091 4.601 2.312 1.00 0.00 H new ATOM 0 HH11 ARG A 74 20.802 6.050 5.529 1.00 0.00 H new ATOM 0 HH12 ARG A 74 22.144 5.100 6.174 1.00 0.00 H new ATOM 0 HH21 ARG A 74 22.666 3.306 3.187 1.00 0.00 H new ATOM 0 HH22 ARG A 74 23.192 3.555 4.854 1.00 0.00 H new ATOM 1211 N GLY A 75 17.777 8.404 -0.005 1.00 0.00 N ATOM 1212 CA GLY A 75 18.485 9.273 -0.931 1.00 0.00 C ATOM 1213 C GLY A 75 19.963 8.935 -1.126 1.00 0.00 C ATOM 1214 O GLY A 75 20.595 9.591 -1.958 1.00 0.00 O ATOM 0 H GLY A 75 17.581 8.832 0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.987 9.231 -1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.406 10.300 -0.576 1.00 0.00 H new ATOM 1218 N GLY A 76 20.525 7.980 -0.385 1.00 0.00 N ATOM 1219 CA GLY A 76 21.915 7.573 -0.486 1.00 0.00 C ATOM 1220 C GLY A 76 21.999 6.092 -0.218 1.00 0.00 C ATOM 1221 O GLY A 76 22.544 5.712 0.837 1.00 0.00 O ATOM 0 H GLY A 76 20.006 7.457 0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 76 22.306 7.802 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 76 22.524 8.123 0.231 1.00 0.00 H new TER 1225 GLY A 76