USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 521 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 4 SER OG : rot 24:sc= 0.0586 USER MOD Single : A 6 GLN : amide:sc= 0.657 K(o=0.66,f=-0.0026) USER MOD Single : A 7 GLN : amide:sc= 1.17 K(o=1.2,f=-0.00056) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 CYS SG : rot 180:sc= -0.0138 USER MOD Single : A 26 LYS NZ :NH3+ -158:sc= 2.38 (180deg=1.96) USER MOD Single : A 31 CYS SG : rot -19:sc= 0.176 USER MOD Single : A 33 GLN : amide:sc= 0.622 K(o=0.62,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 37 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 41 MET CE :methyl 164:sc= -0.738 (180deg=-1.15) USER MOD Single : A 49 CYS SG : rot 79:sc= 0.349 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -78:sc= 0.334 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 77:sc= 0.836 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= -0.0675 USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= 0.712 (180deg=0.68) USER MOD ----------------------------------------------------------------- ATOM 39 N SER A 4 8.885 1.853 1.901 1.00 0.00 N ATOM 40 CA SER A 4 9.839 2.327 0.889 1.00 0.00 C ATOM 41 C SER A 4 11.196 2.744 1.488 1.00 0.00 C ATOM 42 O SER A 4 11.268 3.567 2.406 1.00 0.00 O ATOM 43 CB SER A 4 9.231 3.500 0.100 1.00 0.00 C ATOM 44 OG SER A 4 7.992 3.147 -0.512 1.00 0.00 O ATOM 0 HA SER A 4 10.032 1.487 0.221 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.077 4.346 0.770 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.935 3.825 -0.667 1.00 0.00 H new ATOM 0 HG SER A 4 7.588 2.398 -0.025 1.00 0.00 H new ATOM 50 N ALA A 5 12.300 2.216 0.936 1.00 0.00 N ATOM 51 CA ALA A 5 13.660 2.435 1.444 1.00 0.00 C ATOM 52 C ALA A 5 14.066 3.919 1.472 1.00 0.00 C ATOM 53 O ALA A 5 14.735 4.356 2.410 1.00 0.00 O ATOM 54 CB ALA A 5 14.621 1.608 0.580 1.00 0.00 C ATOM 0 H ALA A 5 12.270 1.616 0.112 1.00 0.00 H new ATOM 0 HA ALA A 5 13.702 2.112 2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 5 15.642 1.750 0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 5 14.356 0.553 0.650 1.00 0.00 H new ATOM 0 HB3 ALA A 5 14.548 1.933 -0.458 1.00 0.00 H new ATOM 60 N GLN A 6 13.629 4.703 0.485 1.00 0.00 N ATOM 61 CA GLN A 6 13.890 6.145 0.408 1.00 0.00 C ATOM 62 C GLN A 6 13.190 6.923 1.538 1.00 0.00 C ATOM 63 O GLN A 6 13.750 7.897 2.037 1.00 0.00 O ATOM 64 CB GLN A 6 13.447 6.640 -0.984 1.00 0.00 C ATOM 65 CG GLN A 6 13.616 8.153 -1.234 1.00 0.00 C ATOM 66 CD GLN A 6 15.067 8.635 -1.138 1.00 0.00 C ATOM 67 OE1 GLN A 6 15.798 8.701 -2.120 1.00 0.00 O ATOM 68 NE2 GLN A 6 15.540 8.967 0.048 1.00 0.00 N ATOM 0 H GLN A 6 13.075 4.351 -0.296 1.00 0.00 H new ATOM 0 HA GLN A 6 14.956 6.327 0.543 1.00 0.00 H new ATOM 0 HB2 GLN A 6 14.015 6.098 -1.741 1.00 0.00 H new ATOM 0 HB3 GLN A 6 12.398 6.381 -1.126 1.00 0.00 H new ATOM 0 HG2 GLN A 6 13.227 8.394 -2.223 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.012 8.701 -0.511 1.00 0.00 H new ATOM 0 HE21 GLN A 6 14.938 8.915 0.870 1.00 0.00 H new ATOM 0 HE22 GLN A 6 16.507 9.276 0.143 1.00 0.00 H new ATOM 77 N GLN A 7 12.004 6.497 1.978 1.00 0.00 N ATOM 78 CA GLN A 7 11.283 7.136 3.076 1.00 0.00 C ATOM 79 C GLN A 7 11.921 6.800 4.433 1.00 0.00 C ATOM 80 O GLN A 7 11.967 7.665 5.310 1.00 0.00 O ATOM 81 CB GLN A 7 9.804 6.726 2.995 1.00 0.00 C ATOM 82 CG GLN A 7 8.914 7.518 3.967 1.00 0.00 C ATOM 83 CD GLN A 7 7.427 7.392 3.615 1.00 0.00 C ATOM 84 OE1 GLN A 7 6.827 8.280 3.009 1.00 0.00 O ATOM 85 NE2 GLN A 7 6.770 6.302 3.953 1.00 0.00 N ATOM 0 H GLN A 7 11.516 5.695 1.579 1.00 0.00 H new ATOM 0 HA GLN A 7 11.346 8.220 2.984 1.00 0.00 H new ATOM 0 HB2 GLN A 7 9.445 6.875 1.977 1.00 0.00 H new ATOM 0 HB3 GLN A 7 9.714 5.662 3.212 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.078 7.159 4.983 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.203 8.569 3.949 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.248 5.554 4.455 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.783 6.206 3.712 1.00 0.00 H new ATOM 94 N LEU A 8 12.490 5.599 4.593 1.00 0.00 N ATOM 95 CA LEU A 8 13.318 5.248 5.749 1.00 0.00 C ATOM 96 C LEU A 8 14.619 6.066 5.763 1.00 0.00 C ATOM 97 O LEU A 8 14.956 6.675 6.779 1.00 0.00 O ATOM 98 CB LEU A 8 13.557 3.724 5.748 1.00 0.00 C ATOM 99 CG LEU A 8 13.976 3.156 7.122 1.00 0.00 C ATOM 100 CD1 LEU A 8 13.503 1.704 7.254 1.00 0.00 C ATOM 101 CD2 LEU A 8 15.490 3.220 7.378 1.00 0.00 C ATOM 0 H LEU A 8 12.387 4.840 3.919 1.00 0.00 H new ATOM 0 HA LEU A 8 12.801 5.504 6.674 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.646 3.223 5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.330 3.488 5.017 1.00 0.00 H new ATOM 0 HG LEU A 8 13.499 3.789 7.871 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.802 1.311 8.226 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.417 1.666 7.166 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.953 1.102 6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.711 2.804 8.361 1.00 0.00 H new ATOM 0 HD22 LEU A 8 16.013 2.644 6.615 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.822 4.258 7.340 1.00 0.00 H new ATOM 113 N ALA A 9 15.311 6.141 4.618 1.00 0.00 N ATOM 114 CA ALA A 9 16.557 6.890 4.450 1.00 0.00 C ATOM 115 C ALA A 9 16.399 8.395 4.736 1.00 0.00 C ATOM 116 O ALA A 9 17.305 9.003 5.303 1.00 0.00 O ATOM 117 CB ALA A 9 17.068 6.662 3.020 1.00 0.00 C ATOM 0 H ALA A 9 15.010 5.670 3.765 1.00 0.00 H new ATOM 0 HA ALA A 9 17.277 6.523 5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 9 17.997 7.212 2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.248 5.598 2.863 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.322 7.013 2.307 1.00 0.00 H new ATOM 123 N GLU A 10 15.253 8.985 4.381 1.00 0.00 N ATOM 124 CA GLU A 10 14.968 10.401 4.630 1.00 0.00 C ATOM 125 C GLU A 10 14.876 10.736 6.134 1.00 0.00 C ATOM 126 O GLU A 10 15.253 11.834 6.542 1.00 0.00 O ATOM 127 CB GLU A 10 13.683 10.792 3.878 1.00 0.00 C ATOM 128 CG GLU A 10 13.396 12.299 3.912 1.00 0.00 C ATOM 129 CD GLU A 10 12.271 12.676 2.937 1.00 0.00 C ATOM 130 OE1 GLU A 10 11.081 12.633 3.332 1.00 0.00 O ATOM 131 OE2 GLU A 10 12.563 13.027 1.768 1.00 0.00 O ATOM 0 H GLU A 10 14.494 8.491 3.911 1.00 0.00 H new ATOM 0 HA GLU A 10 15.803 10.992 4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.764 10.468 2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.838 10.258 4.314 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.118 12.595 4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.301 12.849 3.656 1.00 0.00 H new ATOM 138 N GLU A 11 14.437 9.788 6.974 1.00 0.00 N ATOM 139 CA GLU A 11 14.330 9.978 8.426 1.00 0.00 C ATOM 140 C GLU A 11 15.683 9.897 9.152 1.00 0.00 C ATOM 141 O GLU A 11 15.861 10.570 10.169 1.00 0.00 O ATOM 142 CB GLU A 11 13.340 8.970 9.037 1.00 0.00 C ATOM 143 CG GLU A 11 11.875 9.208 8.632 1.00 0.00 C ATOM 144 CD GLU A 11 11.350 10.577 9.105 1.00 0.00 C ATOM 145 OE1 GLU A 11 11.265 10.802 10.334 1.00 0.00 O ATOM 146 OE2 GLU A 11 11.001 11.425 8.248 1.00 0.00 O ATOM 0 H GLU A 11 14.144 8.862 6.662 1.00 0.00 H new ATOM 0 HA GLU A 11 13.955 10.991 8.571 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.630 7.963 8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.418 9.013 10.123 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.785 9.142 7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.252 8.418 9.052 1.00 0.00 H new ATOM 153 N LEU A 12 16.655 9.128 8.636 1.00 0.00 N ATOM 154 CA LEU A 12 17.982 8.943 9.242 1.00 0.00 C ATOM 155 C LEU A 12 18.658 10.273 9.603 1.00 0.00 C ATOM 156 O LEU A 12 19.149 10.439 10.720 1.00 0.00 O ATOM 157 CB LEU A 12 18.881 8.144 8.273 1.00 0.00 C ATOM 158 CG LEU A 12 18.440 6.698 7.966 1.00 0.00 C ATOM 159 CD1 LEU A 12 19.396 6.084 6.933 1.00 0.00 C ATOM 160 CD2 LEU A 12 18.418 5.805 9.212 1.00 0.00 C ATOM 0 H LEU A 12 16.537 8.607 7.767 1.00 0.00 H new ATOM 0 HA LEU A 12 17.843 8.393 10.173 1.00 0.00 H new ATOM 0 HB2 LEU A 12 18.940 8.691 7.332 1.00 0.00 H new ATOM 0 HB3 LEU A 12 19.889 8.114 8.688 1.00 0.00 H new ATOM 0 HG LEU A 12 17.422 6.749 7.580 1.00 0.00 H new ATOM 0 HD11 LEU A 12 19.087 5.062 6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 12 19.371 6.675 6.017 1.00 0.00 H new ATOM 0 HD13 LEU A 12 20.410 6.079 7.333 1.00 0.00 H new ATOM 0 HD21 LEU A 12 18.100 4.800 8.934 1.00 0.00 H new ATOM 0 HD22 LEU A 12 19.417 5.762 9.647 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.721 6.217 9.942 1.00 0.00 H new ATOM 172 N GLN A 13 18.635 11.239 8.678 1.00 0.00 N ATOM 173 CA GLN A 13 19.286 12.542 8.826 1.00 0.00 C ATOM 174 C GLN A 13 18.674 13.400 9.957 1.00 0.00 C ATOM 175 O GLN A 13 19.359 14.258 10.512 1.00 0.00 O ATOM 176 CB GLN A 13 19.202 13.256 7.462 1.00 0.00 C ATOM 177 CG GLN A 13 20.070 14.528 7.383 1.00 0.00 C ATOM 178 CD GLN A 13 20.047 15.157 5.989 1.00 0.00 C ATOM 179 OE1 GLN A 13 19.360 16.139 5.727 1.00 0.00 O ATOM 180 NE2 GLN A 13 20.777 14.614 5.033 1.00 0.00 N ATOM 0 H GLN A 13 18.152 11.132 7.786 1.00 0.00 H new ATOM 0 HA GLN A 13 20.325 12.393 9.121 1.00 0.00 H new ATOM 0 HB2 GLN A 13 19.512 12.564 6.678 1.00 0.00 H new ATOM 0 HB3 GLN A 13 18.164 13.520 7.262 1.00 0.00 H new ATOM 0 HG2 GLN A 13 19.714 15.255 8.114 1.00 0.00 H new ATOM 0 HG3 GLN A 13 21.097 14.282 7.652 1.00 0.00 H new ATOM 0 HE21 GLN A 13 21.354 13.797 5.234 1.00 0.00 H new ATOM 0 HE22 GLN A 13 20.764 15.011 4.094 1.00 0.00 H new ATOM 189 N ILE A 14 17.410 13.161 10.339 1.00 0.00 N ATOM 190 CA ILE A 14 16.724 13.885 11.423 1.00 0.00 C ATOM 191 C ILE A 14 17.291 13.489 12.796 1.00 0.00 C ATOM 192 O ILE A 14 17.450 14.345 13.675 1.00 0.00 O ATOM 193 CB ILE A 14 15.195 13.642 11.348 1.00 0.00 C ATOM 194 CG1 ILE A 14 14.590 13.915 9.942 1.00 0.00 C ATOM 195 CG2 ILE A 14 14.443 14.467 12.406 1.00 0.00 C ATOM 196 CD1 ILE A 14 14.798 15.331 9.391 1.00 0.00 C ATOM 0 H ILE A 14 16.827 12.450 9.898 1.00 0.00 H new ATOM 0 HA ILE A 14 16.903 14.953 11.295 1.00 0.00 H new ATOM 0 HB ILE A 14 15.062 12.580 11.553 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.021 13.204 9.237 1.00 0.00 H new ATOM 0 HG13 ILE A 14 13.519 13.715 9.982 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.373 14.273 12.326 1.00 0.00 H new ATOM 0 HG22 ILE A 14 14.789 14.186 13.400 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.633 15.528 12.243 1.00 0.00 H new ATOM 0 HD11 ILE A 14 14.336 15.410 8.407 1.00 0.00 H new ATOM 0 HD12 ILE A 14 14.340 16.055 10.065 1.00 0.00 H new ATOM 0 HD13 ILE A 14 15.865 15.536 9.309 1.00 0.00 H new ATOM 208 N PHE A 15 17.647 12.210 12.974 1.00 0.00 N ATOM 209 CA PHE A 15 18.318 11.676 14.165 1.00 0.00 C ATOM 210 C PHE A 15 19.854 11.794 14.101 1.00 0.00 C ATOM 211 O PHE A 15 20.528 11.510 15.094 1.00 0.00 O ATOM 212 CB PHE A 15 17.900 10.205 14.344 1.00 0.00 C ATOM 213 CG PHE A 15 16.425 10.013 14.645 1.00 0.00 C ATOM 214 CD1 PHE A 15 15.968 10.067 15.973 1.00 0.00 C ATOM 215 CD2 PHE A 15 15.507 9.795 13.606 1.00 0.00 C ATOM 216 CE1 PHE A 15 14.608 9.878 16.263 1.00 0.00 C ATOM 217 CE2 PHE A 15 14.143 9.611 13.888 1.00 0.00 C ATOM 218 CZ PHE A 15 13.693 9.647 15.218 1.00 0.00 C ATOM 0 H PHE A 15 17.469 11.495 12.269 1.00 0.00 H new ATOM 0 HA PHE A 15 18.007 12.275 15.021 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.150 9.654 13.437 1.00 0.00 H new ATOM 0 HB3 PHE A 15 18.485 9.768 15.153 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.667 10.255 16.774 1.00 0.00 H new ATOM 0 HD2 PHE A 15 15.851 9.769 12.583 1.00 0.00 H new ATOM 0 HE1 PHE A 15 14.264 9.910 17.286 1.00 0.00 H new ATOM 0 HE2 PHE A 15 13.442 9.442 13.084 1.00 0.00 H new ATOM 0 HZ PHE A 15 12.646 9.498 15.439 1.00 0.00 H new ATOM 228 N GLY A 16 20.416 12.183 12.949 1.00 0.00 N ATOM 229 CA GLY A 16 21.865 12.268 12.712 1.00 0.00 C ATOM 230 C GLY A 16 22.506 10.947 12.265 1.00 0.00 C ATOM 231 O GLY A 16 23.738 10.850 12.235 1.00 0.00 O ATOM 0 H GLY A 16 19.863 12.454 12.136 1.00 0.00 H new ATOM 0 HA2 GLY A 16 22.054 13.026 11.952 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.353 12.605 13.627 1.00 0.00 H new ATOM 235 N LEU A 17 21.703 9.938 11.911 1.00 0.00 N ATOM 236 CA LEU A 17 22.159 8.686 11.301 1.00 0.00 C ATOM 237 C LEU A 17 22.510 8.874 9.815 1.00 0.00 C ATOM 238 O LEU A 17 22.075 9.826 9.166 1.00 0.00 O ATOM 239 CB LEU A 17 21.087 7.581 11.451 1.00 0.00 C ATOM 240 CG LEU A 17 20.674 7.208 12.889 1.00 0.00 C ATOM 241 CD1 LEU A 17 19.701 6.023 12.819 1.00 0.00 C ATOM 242 CD2 LEU A 17 21.872 6.839 13.767 1.00 0.00 C ATOM 0 H LEU A 17 20.692 9.971 12.045 1.00 0.00 H new ATOM 0 HA LEU A 17 23.063 8.381 11.828 1.00 0.00 H new ATOM 0 HB2 LEU A 17 20.194 7.898 10.912 1.00 0.00 H new ATOM 0 HB3 LEU A 17 21.455 6.681 10.958 1.00 0.00 H new ATOM 0 HG LEU A 17 20.204 8.079 13.346 1.00 0.00 H new ATOM 0 HD11 LEU A 17 19.396 5.743 13.827 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.822 6.307 12.240 1.00 0.00 H new ATOM 0 HD13 LEU A 17 20.193 5.176 12.340 1.00 0.00 H new ATOM 0 HD21 LEU A 17 21.525 6.585 14.768 1.00 0.00 H new ATOM 0 HD22 LEU A 17 22.390 5.983 13.335 1.00 0.00 H new ATOM 0 HD23 LEU A 17 22.556 7.686 13.824 1.00 0.00 H new ATOM 254 N ASP A 18 23.258 7.915 9.271 1.00 0.00 N ATOM 255 CA ASP A 18 23.591 7.785 7.850 1.00 0.00 C ATOM 256 C ASP A 18 23.972 6.327 7.548 1.00 0.00 C ATOM 257 O ASP A 18 24.871 5.770 8.178 1.00 0.00 O ATOM 258 CB ASP A 18 24.733 8.749 7.473 1.00 0.00 C ATOM 259 CG ASP A 18 25.124 8.626 5.991 1.00 0.00 C ATOM 260 OD1 ASP A 18 24.269 8.916 5.123 1.00 0.00 O ATOM 261 OD2 ASP A 18 26.283 8.244 5.703 1.00 0.00 O ATOM 0 H ASP A 18 23.669 7.171 9.835 1.00 0.00 H new ATOM 0 HA ASP A 18 22.723 8.052 7.247 1.00 0.00 H new ATOM 0 HB2 ASP A 18 24.427 9.774 7.683 1.00 0.00 H new ATOM 0 HB3 ASP A 18 25.603 8.542 8.096 1.00 0.00 H new ATOM 266 N CYS A 19 23.261 5.707 6.599 1.00 0.00 N ATOM 267 CA CYS A 19 23.365 4.280 6.264 1.00 0.00 C ATOM 268 C CYS A 19 23.363 4.055 4.745 1.00 0.00 C ATOM 269 O CYS A 19 22.740 4.810 3.995 1.00 0.00 O ATOM 270 CB CYS A 19 22.176 3.529 6.900 1.00 0.00 C ATOM 271 SG CYS A 19 22.271 3.536 8.714 1.00 0.00 S ATOM 0 H CYS A 19 22.576 6.199 6.025 1.00 0.00 H new ATOM 0 HA CYS A 19 24.309 3.901 6.655 1.00 0.00 H new ATOM 0 HB2 CYS A 19 21.241 3.992 6.583 1.00 0.00 H new ATOM 0 HB3 CYS A 19 22.161 2.500 6.540 1.00 0.00 H new ATOM 0 HG CYS A 19 21.251 2.896 9.204 1.00 0.00 H new ATOM 277 N GLU A 20 24.026 2.985 4.300 1.00 0.00 N ATOM 278 CA GLU A 20 23.929 2.479 2.928 1.00 0.00 C ATOM 279 C GLU A 20 22.653 1.653 2.710 1.00 0.00 C ATOM 280 O GLU A 20 22.041 1.154 3.661 1.00 0.00 O ATOM 281 CB GLU A 20 25.185 1.674 2.552 1.00 0.00 C ATOM 282 CG GLU A 20 25.425 0.415 3.393 1.00 0.00 C ATOM 283 CD GLU A 20 26.733 -0.272 2.977 1.00 0.00 C ATOM 284 OE1 GLU A 20 26.769 -0.923 1.905 1.00 0.00 O ATOM 285 OE2 GLU A 20 27.745 -0.160 3.710 1.00 0.00 O ATOM 0 H GLU A 20 24.654 2.438 4.890 1.00 0.00 H new ATOM 0 HA GLU A 20 23.867 3.342 2.265 1.00 0.00 H new ATOM 0 HB2 GLU A 20 25.112 1.384 1.504 1.00 0.00 H new ATOM 0 HB3 GLU A 20 26.055 2.324 2.642 1.00 0.00 H new ATOM 0 HG2 GLU A 20 25.467 0.680 4.450 1.00 0.00 H new ATOM 0 HG3 GLU A 20 24.590 -0.275 3.270 1.00 0.00 H new ATOM 292 N GLU A 21 22.284 1.458 1.442 1.00 0.00 N ATOM 293 CA GLU A 21 21.114 0.681 1.029 1.00 0.00 C ATOM 294 C GLU A 21 21.115 -0.739 1.632 1.00 0.00 C ATOM 295 O GLU A 21 20.062 -1.220 2.055 1.00 0.00 O ATOM 296 CB GLU A 21 21.035 0.594 -0.504 1.00 0.00 C ATOM 297 CG GLU A 21 20.663 1.916 -1.199 1.00 0.00 C ATOM 298 CD GLU A 21 21.733 3.020 -1.133 1.00 0.00 C ATOM 299 OE1 GLU A 21 22.944 2.714 -1.008 1.00 0.00 O ATOM 300 OE2 GLU A 21 21.362 4.214 -1.209 1.00 0.00 O ATOM 0 H GLU A 21 22.804 1.846 0.655 1.00 0.00 H new ATOM 0 HA GLU A 21 20.237 1.204 1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 21 21.998 0.255 -0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.300 -0.164 -0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 21 20.445 1.707 -2.246 1.00 0.00 H new ATOM 0 HG3 GLU A 21 19.745 2.296 -0.752 1.00 0.00 H new ATOM 307 N ALA A 22 22.281 -1.386 1.743 1.00 0.00 N ATOM 308 CA ALA A 22 22.404 -2.731 2.323 1.00 0.00 C ATOM 309 C ALA A 22 22.064 -2.785 3.827 1.00 0.00 C ATOM 310 O ALA A 22 21.594 -3.822 4.311 1.00 0.00 O ATOM 311 CB ALA A 22 23.819 -3.248 2.047 1.00 0.00 C ATOM 0 H ALA A 22 23.169 -0.992 1.433 1.00 0.00 H new ATOM 0 HA ALA A 22 21.666 -3.377 1.847 1.00 0.00 H new ATOM 0 HB1 ALA A 22 23.931 -4.246 2.470 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.988 -3.289 0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 22 24.547 -2.577 2.503 1.00 0.00 H new ATOM 317 N LEU A 23 22.252 -1.681 4.561 1.00 0.00 N ATOM 318 CA LEU A 23 21.832 -1.557 5.964 1.00 0.00 C ATOM 319 C LEU A 23 20.362 -1.129 6.051 1.00 0.00 C ATOM 320 O LEU A 23 19.622 -1.653 6.880 1.00 0.00 O ATOM 321 CB LEU A 23 22.748 -0.568 6.710 1.00 0.00 C ATOM 322 CG LEU A 23 24.232 -0.983 6.807 1.00 0.00 C ATOM 323 CD1 LEU A 23 25.014 0.104 7.547 1.00 0.00 C ATOM 324 CD2 LEU A 23 24.436 -2.328 7.523 1.00 0.00 C ATOM 0 H LEU A 23 22.703 -0.842 4.196 1.00 0.00 H new ATOM 0 HA LEU A 23 21.923 -2.531 6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 23 22.691 0.400 6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 23 22.360 -0.431 7.719 1.00 0.00 H new ATOM 0 HG LEU A 23 24.597 -1.103 5.787 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.062 -0.186 7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 23 24.933 1.045 7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 23 24.604 0.229 8.549 1.00 0.00 H new ATOM 0 HD21 LEU A 23 25.500 -2.564 7.559 1.00 0.00 H new ATOM 0 HD22 LEU A 23 24.044 -2.263 8.538 1.00 0.00 H new ATOM 0 HD23 LEU A 23 23.909 -3.113 6.980 1.00 0.00 H new ATOM 336 N ILE A 24 19.903 -0.229 5.177 1.00 0.00 N ATOM 337 CA ILE A 24 18.488 0.199 5.096 1.00 0.00 C ATOM 338 C ILE A 24 17.561 -0.988 4.794 1.00 0.00 C ATOM 339 O ILE A 24 16.523 -1.140 5.445 1.00 0.00 O ATOM 340 CB ILE A 24 18.355 1.339 4.060 1.00 0.00 C ATOM 341 CG1 ILE A 24 19.014 2.627 4.611 1.00 0.00 C ATOM 342 CG2 ILE A 24 16.886 1.604 3.674 1.00 0.00 C ATOM 343 CD1 ILE A 24 19.405 3.619 3.512 1.00 0.00 C ATOM 0 H ILE A 24 20.504 0.233 4.494 1.00 0.00 H new ATOM 0 HA ILE A 24 18.171 0.586 6.064 1.00 0.00 H new ATOM 0 HB ILE A 24 18.871 1.027 3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 24 18.326 3.113 5.303 1.00 0.00 H new ATOM 0 HG13 ILE A 24 19.903 2.358 5.182 1.00 0.00 H new ATOM 0 HG21 ILE A 24 16.842 2.413 2.944 1.00 0.00 H new ATOM 0 HG22 ILE A 24 16.455 0.701 3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 24 16.321 1.886 4.563 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.861 4.500 3.963 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.117 3.149 2.834 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.515 3.915 2.956 1.00 0.00 H new ATOM 355 N GLU A 25 17.952 -1.874 3.874 1.00 0.00 N ATOM 356 CA GLU A 25 17.232 -3.122 3.580 1.00 0.00 C ATOM 357 C GLU A 25 17.050 -3.998 4.827 1.00 0.00 C ATOM 358 O GLU A 25 15.999 -4.620 4.971 1.00 0.00 O ATOM 359 CB GLU A 25 17.950 -3.929 2.478 1.00 0.00 C ATOM 360 CG GLU A 25 17.660 -3.373 1.080 1.00 0.00 C ATOM 361 CD GLU A 25 18.305 -4.242 -0.010 1.00 0.00 C ATOM 362 OE1 GLU A 25 19.526 -4.110 -0.275 1.00 0.00 O ATOM 363 OE2 GLU A 25 17.591 -5.073 -0.624 1.00 0.00 O ATOM 0 H GLU A 25 18.788 -1.746 3.304 1.00 0.00 H new ATOM 0 HA GLU A 25 16.242 -2.832 3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 25 19.025 -3.913 2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.634 -4.971 2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.583 -3.326 0.921 1.00 0.00 H new ATOM 0 HG3 GLU A 25 18.038 -2.353 1.006 1.00 0.00 H new ATOM 370 N LYS A 26 18.003 -4.019 5.770 1.00 0.00 N ATOM 371 CA LYS A 26 17.845 -4.756 7.027 1.00 0.00 C ATOM 372 C LYS A 26 16.766 -4.155 7.944 1.00 0.00 C ATOM 373 O LYS A 26 16.099 -4.912 8.645 1.00 0.00 O ATOM 374 CB LYS A 26 19.213 -4.933 7.715 1.00 0.00 C ATOM 375 CG LYS A 26 19.168 -5.782 8.995 1.00 0.00 C ATOM 376 CD LYS A 26 18.691 -7.228 8.803 1.00 0.00 C ATOM 377 CE LYS A 26 18.516 -7.898 10.168 1.00 0.00 C ATOM 378 NZ LYS A 26 17.931 -9.252 10.035 1.00 0.00 N ATOM 0 H LYS A 26 18.894 -3.531 5.683 1.00 0.00 H new ATOM 0 HA LYS A 26 17.469 -5.752 6.791 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.905 -5.394 7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.615 -3.949 7.958 1.00 0.00 H new ATOM 0 HG2 LYS A 26 20.165 -5.801 9.435 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.511 -5.292 9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.748 -7.241 8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 26 19.413 -7.783 8.204 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.482 -7.965 10.668 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.873 -7.283 10.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.486 -9.528 10.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.215 -9.248 9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.681 -9.932 9.797 1.00 0.00 H new ATOM 392 N LEU A 27 16.512 -2.840 7.906 1.00 0.00 N ATOM 393 CA LEU A 27 15.384 -2.220 8.619 1.00 0.00 C ATOM 394 C LEU A 27 14.072 -2.377 7.837 1.00 0.00 C ATOM 395 O LEU A 27 13.054 -2.703 8.441 1.00 0.00 O ATOM 396 CB LEU A 27 15.653 -0.733 8.927 1.00 0.00 C ATOM 397 CG LEU A 27 16.715 -0.408 9.992 1.00 0.00 C ATOM 398 CD1 LEU A 27 16.530 -1.218 11.286 1.00 0.00 C ATOM 399 CD2 LEU A 27 18.136 -0.580 9.446 1.00 0.00 C ATOM 0 H LEU A 27 17.081 -2.176 7.381 1.00 0.00 H new ATOM 0 HA LEU A 27 15.281 -2.746 9.568 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.948 -0.245 7.998 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.713 -0.279 9.240 1.00 0.00 H new ATOM 0 HG LEU A 27 16.570 0.642 10.248 1.00 0.00 H new ATOM 0 HD11 LEU A 27 17.308 -0.946 12.000 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.552 -1.000 11.715 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.599 -2.282 11.062 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.857 -0.341 10.227 1.00 0.00 H new ATOM 0 HD22 LEU A 27 18.279 -1.611 9.123 1.00 0.00 H new ATOM 0 HD23 LEU A 27 18.284 0.090 8.599 1.00 0.00 H new ATOM 411 N VAL A 28 14.098 -2.224 6.507 1.00 0.00 N ATOM 412 CA VAL A 28 12.932 -2.486 5.633 1.00 0.00 C ATOM 413 C VAL A 28 12.427 -3.928 5.799 1.00 0.00 C ATOM 414 O VAL A 28 11.220 -4.132 5.889 1.00 0.00 O ATOM 415 CB VAL A 28 13.243 -2.170 4.150 1.00 0.00 C ATOM 416 CG1 VAL A 28 12.134 -2.651 3.197 1.00 0.00 C ATOM 417 CG2 VAL A 28 13.430 -0.653 3.937 1.00 0.00 C ATOM 0 H VAL A 28 14.927 -1.915 5.999 1.00 0.00 H new ATOM 0 HA VAL A 28 12.134 -1.813 5.947 1.00 0.00 H new ATOM 0 HB VAL A 28 14.163 -2.706 3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.404 -2.404 2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.016 -3.731 3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.195 -2.160 3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.648 -0.457 2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.517 -0.130 4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.258 -0.299 4.551 1.00 0.00 H new ATOM 427 N GLU A 29 13.328 -4.914 5.922 1.00 0.00 N ATOM 428 CA GLU A 29 12.991 -6.301 6.266 1.00 0.00 C ATOM 429 C GLU A 29 12.108 -6.373 7.523 1.00 0.00 C ATOM 430 O GLU A 29 11.051 -7.007 7.488 1.00 0.00 O ATOM 431 CB GLU A 29 14.282 -7.121 6.458 1.00 0.00 C ATOM 432 CG GLU A 29 14.017 -8.599 6.771 1.00 0.00 C ATOM 433 CD GLU A 29 15.338 -9.356 6.960 1.00 0.00 C ATOM 434 OE1 GLU A 29 15.877 -9.373 8.091 1.00 0.00 O ATOM 435 OE2 GLU A 29 15.841 -9.944 5.974 1.00 0.00 O ATOM 0 H GLU A 29 14.328 -4.766 5.783 1.00 0.00 H new ATOM 0 HA GLU A 29 12.418 -6.727 5.443 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.888 -7.050 5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.866 -6.684 7.268 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.411 -8.682 7.674 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.445 -9.051 5.961 1.00 0.00 H new ATOM 442 N LEU A 30 12.484 -5.679 8.606 1.00 0.00 N ATOM 443 CA LEU A 30 11.684 -5.641 9.837 1.00 0.00 C ATOM 444 C LEU A 30 10.349 -4.923 9.613 1.00 0.00 C ATOM 445 O LEU A 30 9.319 -5.437 10.038 1.00 0.00 O ATOM 446 CB LEU A 30 12.466 -5.007 11.008 1.00 0.00 C ATOM 447 CG LEU A 30 13.871 -5.572 11.288 1.00 0.00 C ATOM 448 CD1 LEU A 30 14.433 -4.945 12.567 1.00 0.00 C ATOM 449 CD2 LEU A 30 13.890 -7.101 11.399 1.00 0.00 C ATOM 0 H LEU A 30 13.344 -5.133 8.654 1.00 0.00 H new ATOM 0 HA LEU A 30 11.466 -6.673 10.111 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.561 -3.939 10.815 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.869 -5.115 11.914 1.00 0.00 H new ATOM 0 HG LEU A 30 14.498 -5.312 10.435 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.427 -5.347 12.763 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.496 -3.864 12.445 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.776 -5.178 13.405 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.907 -7.439 11.597 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.239 -7.415 12.215 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.538 -7.538 10.465 1.00 0.00 H new ATOM 461 N CYS A 31 10.328 -3.788 8.909 1.00 0.00 N ATOM 462 CA CYS A 31 9.091 -3.063 8.597 1.00 0.00 C ATOM 463 C CYS A 31 8.077 -3.936 7.838 1.00 0.00 C ATOM 464 O CYS A 31 6.884 -3.892 8.133 1.00 0.00 O ATOM 465 CB CYS A 31 9.430 -1.798 7.790 1.00 0.00 C ATOM 466 SG CYS A 31 10.361 -0.616 8.808 1.00 0.00 S ATOM 0 H CYS A 31 11.169 -3.345 8.538 1.00 0.00 H new ATOM 0 HA CYS A 31 8.618 -2.783 9.539 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.015 -2.068 6.911 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.512 -1.332 7.432 1.00 0.00 H new ATOM 0 HG CYS A 31 10.184 -0.893 10.066 1.00 0.00 H new ATOM 472 N VAL A 32 8.551 -4.760 6.901 1.00 0.00 N ATOM 473 CA VAL A 32 7.734 -5.682 6.092 1.00 0.00 C ATOM 474 C VAL A 32 7.302 -6.921 6.896 1.00 0.00 C ATOM 475 O VAL A 32 6.145 -7.329 6.790 1.00 0.00 O ATOM 476 CB VAL A 32 8.485 -6.077 4.796 1.00 0.00 C ATOM 477 CG1 VAL A 32 7.755 -7.164 3.992 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.660 -4.848 3.884 1.00 0.00 C ATOM 0 H VAL A 32 9.544 -4.809 6.673 1.00 0.00 H new ATOM 0 HA VAL A 32 6.821 -5.159 5.809 1.00 0.00 H new ATOM 0 HB VAL A 32 9.450 -6.471 5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.328 -7.400 3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.652 -8.061 4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.767 -6.804 3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.189 -5.140 2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.681 -4.449 3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.234 -4.084 4.409 1.00 0.00 H new ATOM 488 N GLN A 33 8.189 -7.505 7.709 1.00 0.00 N ATOM 489 CA GLN A 33 7.907 -8.713 8.497 1.00 0.00 C ATOM 490 C GLN A 33 6.984 -8.441 9.699 1.00 0.00 C ATOM 491 O GLN A 33 6.074 -9.228 9.966 1.00 0.00 O ATOM 492 CB GLN A 33 9.246 -9.322 8.942 1.00 0.00 C ATOM 493 CG GLN A 33 9.157 -10.561 9.854 1.00 0.00 C ATOM 494 CD GLN A 33 8.457 -11.754 9.194 1.00 0.00 C ATOM 495 OE1 GLN A 33 9.078 -12.638 8.614 1.00 0.00 O ATOM 496 NE2 GLN A 33 7.143 -11.834 9.250 1.00 0.00 N ATOM 0 H GLN A 33 9.136 -7.148 7.841 1.00 0.00 H new ATOM 0 HA GLN A 33 7.363 -9.420 7.870 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.813 -9.592 8.051 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.817 -8.553 9.463 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.163 -10.858 10.150 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.622 -10.294 10.766 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.608 -11.109 9.728 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.661 -12.621 8.816 1.00 0.00 H new ATOM 505 N TYR A 34 7.204 -7.338 10.421 1.00 0.00 N ATOM 506 CA TYR A 34 6.472 -6.977 11.646 1.00 0.00 C ATOM 507 C TYR A 34 5.279 -6.025 11.398 1.00 0.00 C ATOM 508 O TYR A 34 4.416 -5.877 12.271 1.00 0.00 O ATOM 509 CB TYR A 34 7.475 -6.364 12.645 1.00 0.00 C ATOM 510 CG TYR A 34 8.467 -7.366 13.226 1.00 0.00 C ATOM 511 CD1 TYR A 34 9.615 -7.752 12.511 1.00 0.00 C ATOM 512 CD2 TYR A 34 8.219 -7.933 14.491 1.00 0.00 C ATOM 513 CE1 TYR A 34 10.502 -8.708 13.041 1.00 0.00 C ATOM 514 CE2 TYR A 34 9.108 -8.875 15.041 1.00 0.00 C ATOM 515 CZ TYR A 34 10.251 -9.275 14.311 1.00 0.00 C ATOM 516 OH TYR A 34 11.118 -10.197 14.823 1.00 0.00 O ATOM 0 H TYR A 34 7.914 -6.652 10.166 1.00 0.00 H new ATOM 0 HA TYR A 34 6.027 -7.885 12.054 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.029 -5.569 12.146 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.921 -5.902 13.462 1.00 0.00 H new ATOM 0 HD1 TYR A 34 9.818 -7.311 11.546 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.338 -7.642 15.044 1.00 0.00 H new ATOM 0 HE1 TYR A 34 11.373 -9.008 12.478 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.918 -9.292 16.019 1.00 0.00 H new ATOM 0 HH TYR A 34 10.803 -10.488 15.704 1.00 0.00 H new ATOM 526 N GLY A 35 5.223 -5.371 10.232 1.00 0.00 N ATOM 527 CA GLY A 35 4.161 -4.430 9.836 1.00 0.00 C ATOM 528 C GLY A 35 4.271 -3.041 10.478 1.00 0.00 C ATOM 529 O GLY A 35 3.353 -2.235 10.331 1.00 0.00 O ATOM 0 H GLY A 35 5.937 -5.484 9.513 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.178 -4.318 8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.195 -4.862 10.097 1.00 0.00 H new ATOM 533 N GLN A 36 5.363 -2.758 11.198 1.00 0.00 N ATOM 534 CA GLN A 36 5.596 -1.497 11.904 1.00 0.00 C ATOM 535 C GLN A 36 6.251 -0.469 10.963 1.00 0.00 C ATOM 536 O GLN A 36 7.097 -0.833 10.145 1.00 0.00 O ATOM 537 CB GLN A 36 6.479 -1.773 13.132 1.00 0.00 C ATOM 538 CG GLN A 36 6.566 -0.589 14.109 1.00 0.00 C ATOM 539 CD GLN A 36 7.477 -0.864 15.308 1.00 0.00 C ATOM 540 OE1 GLN A 36 8.437 -0.152 15.566 1.00 0.00 O ATOM 541 NE2 GLN A 36 7.222 -1.893 16.098 1.00 0.00 N ATOM 0 H GLN A 36 6.130 -3.421 11.307 1.00 0.00 H new ATOM 0 HA GLN A 36 4.647 -1.076 12.237 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.088 -2.642 13.662 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.484 -2.030 12.796 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.933 0.288 13.576 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.566 -0.348 14.468 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.427 -2.501 15.903 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.821 -2.079 16.903 1.00 0.00 H new ATOM 550 N ASN A 37 5.883 0.809 11.082 1.00 0.00 N ATOM 551 CA ASN A 37 6.437 1.871 10.233 1.00 0.00 C ATOM 552 C ASN A 37 7.904 2.223 10.538 1.00 0.00 C ATOM 553 O ASN A 37 8.429 2.015 11.633 1.00 0.00 O ATOM 554 CB ASN A 37 5.526 3.114 10.281 1.00 0.00 C ATOM 555 CG ASN A 37 4.337 2.971 9.333 1.00 0.00 C ATOM 556 OD1 ASN A 37 3.195 2.826 9.751 1.00 0.00 O ATOM 557 ND2 ASN A 37 4.571 3.024 8.034 1.00 0.00 N ATOM 0 H ASN A 37 5.198 1.137 11.763 1.00 0.00 H new ATOM 0 HA ASN A 37 6.456 1.479 9.216 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.166 3.264 11.299 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.102 4.000 10.013 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.798 2.944 7.373 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.524 3.145 7.692 1.00 0.00 H new ATOM 564 N GLU A 38 8.542 2.818 9.531 1.00 0.00 N ATOM 565 CA GLU A 38 9.965 3.156 9.422 1.00 0.00 C ATOM 566 C GLU A 38 10.470 4.033 10.580 1.00 0.00 C ATOM 567 O GLU A 38 11.586 3.839 11.066 1.00 0.00 O ATOM 568 CB GLU A 38 10.192 3.877 8.076 1.00 0.00 C ATOM 569 CG GLU A 38 9.661 3.141 6.829 1.00 0.00 C ATOM 570 CD GLU A 38 8.242 3.592 6.436 1.00 0.00 C ATOM 571 OE1 GLU A 38 7.266 3.198 7.119 1.00 0.00 O ATOM 572 OE2 GLU A 38 8.095 4.352 5.454 1.00 0.00 O ATOM 0 H GLU A 38 8.032 3.102 8.694 1.00 0.00 H new ATOM 0 HA GLU A 38 10.534 2.228 9.473 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.720 4.858 8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.262 4.044 7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.338 3.315 5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.658 2.068 7.019 1.00 0.00 H new ATOM 579 N GLU A 39 9.637 4.964 11.055 1.00 0.00 N ATOM 580 CA GLU A 39 9.947 5.869 12.169 1.00 0.00 C ATOM 581 C GLU A 39 10.226 5.118 13.485 1.00 0.00 C ATOM 582 O GLU A 39 11.014 5.593 14.306 1.00 0.00 O ATOM 583 CB GLU A 39 8.785 6.851 12.383 1.00 0.00 C ATOM 584 CG GLU A 39 8.600 7.835 11.221 1.00 0.00 C ATOM 585 CD GLU A 39 7.393 8.755 11.474 1.00 0.00 C ATOM 586 OE1 GLU A 39 7.496 9.692 12.304 1.00 0.00 O ATOM 587 OE2 GLU A 39 6.327 8.542 10.847 1.00 0.00 O ATOM 0 H GLU A 39 8.706 5.114 10.667 1.00 0.00 H new ATOM 0 HA GLU A 39 10.856 6.406 11.898 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.863 6.287 12.523 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.957 7.412 13.301 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.502 8.435 11.099 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.455 7.285 10.291 1.00 0.00 H new ATOM 594 N GLY A 40 9.642 3.928 13.681 1.00 0.00 N ATOM 595 CA GLY A 40 9.920 3.058 14.833 1.00 0.00 C ATOM 596 C GLY A 40 11.265 2.344 14.686 1.00 0.00 C ATOM 597 O GLY A 40 12.090 2.378 15.600 1.00 0.00 O ATOM 0 H GLY A 40 8.955 3.537 13.036 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.920 3.652 15.747 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.124 2.320 14.933 1.00 0.00 H new ATOM 601 N MET A 41 11.527 1.780 13.502 1.00 0.00 N ATOM 602 CA MET A 41 12.796 1.109 13.172 1.00 0.00 C ATOM 603 C MET A 41 13.986 2.079 13.179 1.00 0.00 C ATOM 604 O MET A 41 15.061 1.714 13.656 1.00 0.00 O ATOM 605 CB MET A 41 12.678 0.390 11.811 1.00 0.00 C ATOM 606 CG MET A 41 12.083 -1.018 11.944 1.00 0.00 C ATOM 607 SD MET A 41 10.393 -1.102 12.593 1.00 0.00 S ATOM 608 CE MET A 41 10.223 -2.892 12.696 1.00 0.00 C ATOM 0 H MET A 41 10.857 1.775 12.733 1.00 0.00 H new ATOM 0 HA MET A 41 12.990 0.369 13.949 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.055 0.983 11.142 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.664 0.323 11.352 1.00 0.00 H new ATOM 0 HG2 MET A 41 12.099 -1.493 10.963 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.731 -1.606 12.594 1.00 0.00 H new ATOM 0 HE1 MET A 41 9.372 -3.141 13.330 1.00 0.00 H new ATOM 0 HE2 MET A 41 10.063 -3.300 11.698 1.00 0.00 H new ATOM 0 HE3 MET A 41 11.131 -3.320 13.122 1.00 0.00 H new ATOM 618 N VAL A 42 13.805 3.316 12.710 1.00 0.00 N ATOM 619 CA VAL A 42 14.827 4.379 12.769 1.00 0.00 C ATOM 620 C VAL A 42 14.977 4.947 14.194 1.00 0.00 C ATOM 621 O VAL A 42 16.103 5.162 14.648 1.00 0.00 O ATOM 622 CB VAL A 42 14.519 5.501 11.749 1.00 0.00 C ATOM 623 CG1 VAL A 42 15.445 6.717 11.898 1.00 0.00 C ATOM 624 CG2 VAL A 42 14.672 4.965 10.316 1.00 0.00 C ATOM 0 H VAL A 42 12.935 3.617 12.272 1.00 0.00 H new ATOM 0 HA VAL A 42 15.782 3.930 12.498 1.00 0.00 H new ATOM 0 HB VAL A 42 13.496 5.821 11.948 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.180 7.470 11.155 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.334 7.138 12.897 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.479 6.407 11.747 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.453 5.761 9.604 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.693 4.614 10.166 1.00 0.00 H new ATOM 0 HG23 VAL A 42 13.978 4.139 10.161 1.00 0.00 H new ATOM 634 N GLY A 43 13.868 5.194 14.913 1.00 0.00 N ATOM 635 CA GLY A 43 13.868 5.938 16.181 1.00 0.00 C ATOM 636 C GLY A 43 14.273 5.110 17.401 1.00 0.00 C ATOM 637 O GLY A 43 15.052 5.584 18.228 1.00 0.00 O ATOM 0 H GLY A 43 12.941 4.880 14.627 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.548 6.785 16.091 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.871 6.346 16.349 1.00 0.00 H new ATOM 641 N GLU A 44 13.786 3.869 17.525 1.00 0.00 N ATOM 642 CA GLU A 44 14.073 3.020 18.696 1.00 0.00 C ATOM 643 C GLU A 44 15.498 2.440 18.664 1.00 0.00 C ATOM 644 O GLU A 44 16.051 2.101 19.714 1.00 0.00 O ATOM 645 CB GLU A 44 13.027 1.894 18.829 1.00 0.00 C ATOM 646 CG GLU A 44 11.600 2.419 19.051 1.00 0.00 C ATOM 647 CD GLU A 44 11.469 3.283 20.314 1.00 0.00 C ATOM 648 OE1 GLU A 44 11.569 2.747 21.441 1.00 0.00 O ATOM 649 OE2 GLU A 44 11.252 4.510 20.186 1.00 0.00 O ATOM 0 H GLU A 44 13.188 3.426 16.827 1.00 0.00 H new ATOM 0 HA GLU A 44 14.009 3.661 19.575 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.046 1.281 17.928 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.303 1.247 19.661 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.295 3.004 18.184 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.915 1.574 19.122 1.00 0.00 H new ATOM 656 N LEU A 45 16.131 2.383 17.485 1.00 0.00 N ATOM 657 CA LEU A 45 17.532 1.989 17.304 1.00 0.00 C ATOM 658 C LEU A 45 18.508 2.950 18.007 1.00 0.00 C ATOM 659 O LEU A 45 19.583 2.532 18.440 1.00 0.00 O ATOM 660 CB LEU A 45 17.776 1.911 15.786 1.00 0.00 C ATOM 661 CG LEU A 45 19.180 1.453 15.347 1.00 0.00 C ATOM 662 CD1 LEU A 45 19.499 0.015 15.791 1.00 0.00 C ATOM 663 CD2 LEU A 45 19.250 1.548 13.817 1.00 0.00 C ATOM 0 H LEU A 45 15.668 2.617 16.607 1.00 0.00 H new ATOM 0 HA LEU A 45 17.719 1.022 17.770 1.00 0.00 H new ATOM 0 HB2 LEU A 45 17.043 1.229 15.355 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.587 2.895 15.357 1.00 0.00 H new ATOM 0 HG LEU A 45 19.919 2.099 15.822 1.00 0.00 H new ATOM 0 HD11 LEU A 45 20.500 -0.256 15.455 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.451 -0.049 16.878 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.772 -0.670 15.355 1.00 0.00 H new ATOM 0 HD21 LEU A 45 20.235 1.229 13.477 1.00 0.00 H new ATOM 0 HD22 LEU A 45 18.489 0.904 13.377 1.00 0.00 H new ATOM 0 HD23 LEU A 45 19.076 2.579 13.508 1.00 0.00 H new ATOM 675 N ILE A 46 18.130 4.225 18.170 1.00 0.00 N ATOM 676 CA ILE A 46 18.938 5.244 18.859 1.00 0.00 C ATOM 677 C ILE A 46 19.165 4.863 20.326 1.00 0.00 C ATOM 678 O ILE A 46 20.291 4.964 20.807 1.00 0.00 O ATOM 679 CB ILE A 46 18.273 6.637 18.748 1.00 0.00 C ATOM 680 CG1 ILE A 46 17.955 7.061 17.298 1.00 0.00 C ATOM 681 CG2 ILE A 46 19.123 7.720 19.446 1.00 0.00 C ATOM 682 CD1 ILE A 46 19.159 7.123 16.354 1.00 0.00 C ATOM 0 H ILE A 46 17.241 4.584 17.822 1.00 0.00 H new ATOM 0 HA ILE A 46 19.911 5.292 18.370 1.00 0.00 H new ATOM 0 HB ILE A 46 17.316 6.543 19.261 1.00 0.00 H new ATOM 0 HG12 ILE A 46 17.226 6.364 16.885 1.00 0.00 H new ATOM 0 HG13 ILE A 46 17.481 8.042 17.320 1.00 0.00 H new ATOM 0 HG21 ILE A 46 18.630 8.687 19.351 1.00 0.00 H new ATOM 0 HG22 ILE A 46 19.234 7.471 20.502 1.00 0.00 H new ATOM 0 HG23 ILE A 46 20.107 7.767 18.979 1.00 0.00 H new ATOM 0 HD11 ILE A 46 18.828 7.430 15.362 1.00 0.00 H new ATOM 0 HD12 ILE A 46 19.883 7.844 16.734 1.00 0.00 H new ATOM 0 HD13 ILE A 46 19.624 6.139 16.293 1.00 0.00 H new ATOM 694 N ALA A 47 18.130 4.373 21.021 1.00 0.00 N ATOM 695 CA ALA A 47 18.198 3.984 22.432 1.00 0.00 C ATOM 696 C ALA A 47 19.186 2.830 22.685 1.00 0.00 C ATOM 697 O ALA A 47 19.845 2.791 23.728 1.00 0.00 O ATOM 698 CB ALA A 47 16.784 3.624 22.904 1.00 0.00 C ATOM 0 H ALA A 47 17.207 4.234 20.610 1.00 0.00 H new ATOM 0 HA ALA A 47 18.581 4.827 23.008 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.814 3.331 23.954 1.00 0.00 H new ATOM 0 HB2 ALA A 47 16.130 4.488 22.787 1.00 0.00 H new ATOM 0 HB3 ALA A 47 16.401 2.796 22.307 1.00 0.00 H new ATOM 704 N PHE A 48 19.316 1.907 21.724 1.00 0.00 N ATOM 705 CA PHE A 48 20.319 0.844 21.762 1.00 0.00 C ATOM 706 C PHE A 48 21.735 1.413 21.574 1.00 0.00 C ATOM 707 O PHE A 48 22.636 1.076 22.351 1.00 0.00 O ATOM 708 CB PHE A 48 19.950 -0.210 20.698 1.00 0.00 C ATOM 709 CG PHE A 48 20.877 -1.413 20.580 1.00 0.00 C ATOM 710 CD1 PHE A 48 21.502 -1.979 21.710 1.00 0.00 C ATOM 711 CD2 PHE A 48 21.061 -2.007 19.316 1.00 0.00 C ATOM 712 CE1 PHE A 48 22.327 -3.112 21.566 1.00 0.00 C ATOM 713 CE2 PHE A 48 21.870 -3.148 19.180 1.00 0.00 C ATOM 714 CZ PHE A 48 22.505 -3.700 20.302 1.00 0.00 C ATOM 0 H PHE A 48 18.723 1.880 20.895 1.00 0.00 H new ATOM 0 HA PHE A 48 20.324 0.361 22.739 1.00 0.00 H new ATOM 0 HB2 PHE A 48 18.945 -0.574 20.913 1.00 0.00 H new ATOM 0 HB3 PHE A 48 19.909 0.285 19.728 1.00 0.00 H new ATOM 0 HD1 PHE A 48 21.348 -1.544 22.686 1.00 0.00 H new ATOM 0 HD2 PHE A 48 20.578 -1.584 18.448 1.00 0.00 H new ATOM 0 HE1 PHE A 48 22.824 -3.530 22.429 1.00 0.00 H new ATOM 0 HE2 PHE A 48 22.003 -3.601 18.209 1.00 0.00 H new ATOM 0 HZ PHE A 48 23.129 -4.575 20.195 1.00 0.00 H new ATOM 724 N CYS A 49 21.928 2.326 20.614 1.00 0.00 N ATOM 725 CA CYS A 49 23.213 2.990 20.357 1.00 0.00 C ATOM 726 C CYS A 49 23.700 3.834 21.557 1.00 0.00 C ATOM 727 O CYS A 49 24.884 3.762 21.904 1.00 0.00 O ATOM 728 CB CYS A 49 23.103 3.838 19.082 1.00 0.00 C ATOM 729 SG CYS A 49 22.753 2.784 17.637 1.00 0.00 S ATOM 0 H CYS A 49 21.185 2.629 19.984 1.00 0.00 H new ATOM 0 HA CYS A 49 23.968 2.217 20.213 1.00 0.00 H new ATOM 0 HB2 CYS A 49 22.312 4.578 19.199 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.032 4.386 18.922 1.00 0.00 H new ATOM 0 HG CYS A 49 21.489 2.480 17.618 1.00 0.00 H new ATOM 735 N THR A 50 22.810 4.596 22.219 1.00 0.00 N ATOM 736 CA THR A 50 23.155 5.417 23.389 1.00 0.00 C ATOM 737 C THR A 50 23.469 4.567 24.614 1.00 0.00 C ATOM 738 O THR A 50 24.478 4.805 25.273 1.00 0.00 O ATOM 739 CB THR A 50 22.060 6.432 23.736 1.00 0.00 C ATOM 740 OG1 THR A 50 20.809 5.793 23.876 1.00 0.00 O ATOM 741 CG2 THR A 50 21.945 7.529 22.677 1.00 0.00 C ATOM 0 H THR A 50 21.827 4.658 21.954 1.00 0.00 H new ATOM 0 HA THR A 50 24.053 5.966 23.105 1.00 0.00 H new ATOM 0 HB THR A 50 22.345 6.891 24.683 1.00 0.00 H new ATOM 0 HG1 THR A 50 20.125 6.458 24.099 1.00 0.00 H new ATOM 0 HG21 THR A 50 21.158 8.228 22.961 1.00 0.00 H new ATOM 0 HG22 THR A 50 22.893 8.062 22.601 1.00 0.00 H new ATOM 0 HG23 THR A 50 21.702 7.081 21.714 1.00 0.00 H new ATOM 749 N SER A 51 22.654 3.556 24.896 1.00 0.00 N ATOM 750 CA SER A 51 22.828 2.647 26.040 1.00 0.00 C ATOM 751 C SER A 51 24.152 1.858 25.985 1.00 0.00 C ATOM 752 O SER A 51 24.836 1.729 27.009 1.00 0.00 O ATOM 753 CB SER A 51 21.631 1.687 26.101 1.00 0.00 C ATOM 754 OG SER A 51 21.676 0.827 27.234 1.00 0.00 O ATOM 0 H SER A 51 21.836 3.335 24.329 1.00 0.00 H new ATOM 0 HA SER A 51 22.874 3.254 26.944 1.00 0.00 H new ATOM 0 HB2 SER A 51 20.707 2.265 26.125 1.00 0.00 H new ATOM 0 HB3 SER A 51 21.607 1.085 25.193 1.00 0.00 H new ATOM 0 HG SER A 51 20.893 0.237 27.228 1.00 0.00 H new ATOM 760 N THR A 52 24.560 1.385 24.797 1.00 0.00 N ATOM 761 CA THR A 52 25.862 0.723 24.577 1.00 0.00 C ATOM 762 C THR A 52 27.026 1.703 24.420 1.00 0.00 C ATOM 763 O THR A 52 28.177 1.292 24.574 1.00 0.00 O ATOM 764 CB THR A 52 25.818 -0.211 23.364 1.00 0.00 C ATOM 765 OG1 THR A 52 25.459 0.514 22.209 1.00 0.00 O ATOM 766 CG2 THR A 52 24.834 -1.365 23.557 1.00 0.00 C ATOM 0 H THR A 52 23.992 1.450 23.952 1.00 0.00 H new ATOM 0 HA THR A 52 26.043 0.142 25.481 1.00 0.00 H new ATOM 0 HB THR A 52 26.816 -0.635 23.250 1.00 0.00 H new ATOM 0 HG1 THR A 52 24.492 0.674 22.211 1.00 0.00 H new ATOM 0 HG21 THR A 52 24.839 -1.999 22.671 1.00 0.00 H new ATOM 0 HG22 THR A 52 25.129 -1.953 24.426 1.00 0.00 H new ATOM 0 HG23 THR A 52 23.832 -0.966 23.713 1.00 0.00 H new ATOM 774 N HIS A 53 26.736 2.971 24.122 1.00 0.00 N ATOM 775 CA HIS A 53 27.670 4.086 23.894 1.00 0.00 C ATOM 776 C HIS A 53 28.438 3.976 22.548 1.00 0.00 C ATOM 777 O HIS A 53 29.382 4.736 22.289 1.00 0.00 O ATOM 778 CB HIS A 53 28.606 4.304 25.101 1.00 0.00 C ATOM 779 CG HIS A 53 27.894 4.613 26.403 1.00 0.00 C ATOM 780 ND1 HIS A 53 27.163 3.735 27.177 1.00 0.00 N ATOM 781 CD2 HIS A 53 27.868 5.824 27.047 1.00 0.00 C ATOM 782 CE1 HIS A 53 26.693 4.404 28.242 1.00 0.00 C ATOM 783 NE2 HIS A 53 27.109 5.684 28.218 1.00 0.00 N ATOM 0 H HIS A 53 25.767 3.273 24.025 1.00 0.00 H new ATOM 0 HA HIS A 53 27.060 4.984 23.801 1.00 0.00 H new ATOM 0 HB2 HIS A 53 29.215 3.410 25.238 1.00 0.00 H new ATOM 0 HB3 HIS A 53 29.288 5.123 24.872 1.00 0.00 H new ATOM 0 HD2 HIS A 53 28.350 6.730 26.710 1.00 0.00 H new ATOM 0 HE1 HIS A 53 26.068 3.975 29.011 1.00 0.00 H new ATOM 0 HE2 HIS A 53 26.912 6.406 28.911 1.00 0.00 H new ATOM 791 N LYS A 54 28.035 3.052 21.667 1.00 0.00 N ATOM 792 CA LYS A 54 28.608 2.863 20.324 1.00 0.00 C ATOM 793 C LYS A 54 28.218 3.989 19.339 1.00 0.00 C ATOM 794 O LYS A 54 27.197 4.667 19.502 1.00 0.00 O ATOM 795 CB LYS A 54 28.200 1.478 19.783 1.00 0.00 C ATOM 796 CG LYS A 54 28.780 0.332 20.626 1.00 0.00 C ATOM 797 CD LYS A 54 28.494 -1.060 20.045 1.00 0.00 C ATOM 798 CE LYS A 54 26.989 -1.363 19.996 1.00 0.00 C ATOM 799 NZ LYS A 54 26.709 -2.786 19.669 1.00 0.00 N ATOM 0 H LYS A 54 27.281 2.396 21.872 1.00 0.00 H new ATOM 0 HA LYS A 54 29.693 2.913 20.415 1.00 0.00 H new ATOM 0 HB2 LYS A 54 27.113 1.402 19.768 1.00 0.00 H new ATOM 0 HB3 LYS A 54 28.541 1.377 18.753 1.00 0.00 H new ATOM 0 HG2 LYS A 54 29.858 0.466 20.714 1.00 0.00 H new ATOM 0 HG3 LYS A 54 28.368 0.388 21.634 1.00 0.00 H new ATOM 0 HD2 LYS A 54 28.910 -1.126 19.040 1.00 0.00 H new ATOM 0 HD3 LYS A 54 28.997 -1.816 20.649 1.00 0.00 H new ATOM 0 HE2 LYS A 54 26.540 -1.119 20.959 1.00 0.00 H new ATOM 0 HE3 LYS A 54 26.516 -0.722 19.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 25.681 -2.941 19.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 27.113 -3.014 18.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 27.137 -3.399 20.392 1.00 0.00 H new ATOM 813 N VAL A 55 29.023 4.162 18.286 1.00 0.00 N ATOM 814 CA VAL A 55 28.798 5.100 17.167 1.00 0.00 C ATOM 815 C VAL A 55 28.943 4.371 15.826 1.00 0.00 C ATOM 816 O VAL A 55 29.712 3.410 15.713 1.00 0.00 O ATOM 817 CB VAL A 55 29.734 6.335 17.217 1.00 0.00 C ATOM 818 CG1 VAL A 55 29.404 7.221 18.429 1.00 0.00 C ATOM 819 CG2 VAL A 55 31.229 5.979 17.232 1.00 0.00 C ATOM 0 H VAL A 55 29.888 3.632 18.180 1.00 0.00 H new ATOM 0 HA VAL A 55 27.780 5.476 17.269 1.00 0.00 H new ATOM 0 HB VAL A 55 29.548 6.881 16.292 1.00 0.00 H new ATOM 0 HG11 VAL A 55 30.073 8.081 18.444 1.00 0.00 H new ATOM 0 HG12 VAL A 55 28.372 7.565 18.358 1.00 0.00 H new ATOM 0 HG13 VAL A 55 29.532 6.646 19.346 1.00 0.00 H new ATOM 0 HG21 VAL A 55 31.821 6.894 17.267 1.00 0.00 H new ATOM 0 HG22 VAL A 55 31.449 5.370 18.109 1.00 0.00 H new ATOM 0 HG23 VAL A 55 31.479 5.420 16.330 1.00 0.00 H new ATOM 829 N GLY A 56 28.188 4.814 14.815 1.00 0.00 N ATOM 830 CA GLY A 56 28.066 4.141 13.519 1.00 0.00 C ATOM 831 C GLY A 56 27.122 2.933 13.560 1.00 0.00 C ATOM 832 O GLY A 56 26.668 2.509 14.630 1.00 0.00 O ATOM 0 H GLY A 56 27.634 5.668 14.877 1.00 0.00 H new ATOM 0 HA2 GLY A 56 27.704 4.854 12.778 1.00 0.00 H new ATOM 0 HA3 GLY A 56 29.053 3.814 13.191 1.00 0.00 H new ATOM 836 N LEU A 57 26.836 2.374 12.380 1.00 0.00 N ATOM 837 CA LEU A 57 25.958 1.214 12.178 1.00 0.00 C ATOM 838 C LEU A 57 26.580 0.222 11.180 1.00 0.00 C ATOM 839 O LEU A 57 27.385 0.603 10.320 1.00 0.00 O ATOM 840 CB LEU A 57 24.560 1.698 11.727 1.00 0.00 C ATOM 841 CG LEU A 57 23.647 2.119 12.900 1.00 0.00 C ATOM 842 CD1 LEU A 57 22.477 2.965 12.387 1.00 0.00 C ATOM 843 CD2 LEU A 57 23.102 0.899 13.645 1.00 0.00 C ATOM 0 H LEU A 57 27.223 2.729 11.506 1.00 0.00 H new ATOM 0 HA LEU A 57 25.843 0.677 13.119 1.00 0.00 H new ATOM 0 HB2 LEU A 57 24.678 2.542 11.047 1.00 0.00 H new ATOM 0 HB3 LEU A 57 24.072 0.902 11.165 1.00 0.00 H new ATOM 0 HG LEU A 57 24.249 2.709 13.591 1.00 0.00 H new ATOM 0 HD11 LEU A 57 21.842 3.254 13.225 1.00 0.00 H new ATOM 0 HD12 LEU A 57 22.862 3.860 11.898 1.00 0.00 H new ATOM 0 HD13 LEU A 57 21.893 2.384 11.673 1.00 0.00 H new ATOM 0 HD21 LEU A 57 22.463 1.229 14.465 1.00 0.00 H new ATOM 0 HD22 LEU A 57 22.522 0.282 12.958 1.00 0.00 H new ATOM 0 HD23 LEU A 57 23.932 0.316 14.044 1.00 0.00 H new ATOM 855 N THR A 58 26.189 -1.047 11.319 1.00 0.00 N ATOM 856 CA THR A 58 26.743 -2.231 10.643 1.00 0.00 C ATOM 857 C THR A 58 25.875 -3.441 10.958 1.00 0.00 C ATOM 858 O THR A 58 25.183 -3.455 11.975 1.00 0.00 O ATOM 859 CB THR A 58 28.226 -2.443 11.006 1.00 0.00 C ATOM 860 OG1 THR A 58 28.737 -3.515 10.245 1.00 0.00 O ATOM 861 CG2 THR A 58 28.445 -2.742 12.493 1.00 0.00 C ATOM 0 H THR A 58 25.426 -1.295 11.948 1.00 0.00 H new ATOM 0 HA THR A 58 26.725 -2.078 9.564 1.00 0.00 H new ATOM 0 HB THR A 58 28.747 -1.512 10.784 1.00 0.00 H new ATOM 0 HG1 THR A 58 29.681 -3.655 10.469 1.00 0.00 H new ATOM 0 HG21 THR A 58 29.509 -2.881 12.683 1.00 0.00 H new ATOM 0 HG22 THR A 58 28.076 -1.908 13.090 1.00 0.00 H new ATOM 0 HG23 THR A 58 27.906 -3.650 12.765 1.00 0.00 H new ATOM 869 N SER A 59 25.885 -4.450 10.097 1.00 0.00 N ATOM 870 CA SER A 59 24.891 -5.538 10.049 1.00 0.00 C ATOM 871 C SER A 59 24.699 -6.299 11.375 1.00 0.00 C ATOM 872 O SER A 59 23.591 -6.756 11.659 1.00 0.00 O ATOM 873 CB SER A 59 25.276 -6.535 8.945 1.00 0.00 C ATOM 874 OG SER A 59 25.474 -5.869 7.705 1.00 0.00 O ATOM 0 H SER A 59 26.607 -4.546 9.383 1.00 0.00 H new ATOM 0 HA SER A 59 23.936 -5.055 9.841 1.00 0.00 H new ATOM 0 HB2 SER A 59 26.187 -7.063 9.228 1.00 0.00 H new ATOM 0 HB3 SER A 59 24.493 -7.285 8.838 1.00 0.00 H new ATOM 0 HG SER A 59 25.720 -6.523 7.018 1.00 0.00 H new ATOM 880 N GLU A 60 25.736 -6.405 12.210 1.00 0.00 N ATOM 881 CA GLU A 60 25.660 -7.045 13.530 1.00 0.00 C ATOM 882 C GLU A 60 24.776 -6.258 14.518 1.00 0.00 C ATOM 883 O GLU A 60 24.084 -6.855 15.348 1.00 0.00 O ATOM 884 CB GLU A 60 27.072 -7.201 14.129 1.00 0.00 C ATOM 885 CG GLU A 60 27.965 -8.149 13.325 1.00 0.00 C ATOM 886 CD GLU A 60 29.314 -8.358 14.037 1.00 0.00 C ATOM 887 OE1 GLU A 60 30.262 -7.566 13.815 1.00 0.00 O ATOM 888 OE2 GLU A 60 29.441 -9.327 14.828 1.00 0.00 O ATOM 0 H GLU A 60 26.664 -6.045 11.988 1.00 0.00 H new ATOM 0 HA GLU A 60 25.204 -8.023 13.379 1.00 0.00 H new ATOM 0 HB2 GLU A 60 27.548 -6.222 14.182 1.00 0.00 H new ATOM 0 HB3 GLU A 60 26.988 -7.571 15.151 1.00 0.00 H new ATOM 0 HG2 GLU A 60 27.463 -9.108 13.196 1.00 0.00 H new ATOM 0 HG3 GLU A 60 28.133 -7.741 12.328 1.00 0.00 H new ATOM 895 N ILE A 61 24.756 -4.923 14.424 1.00 0.00 N ATOM 896 CA ILE A 61 23.946 -4.043 15.282 1.00 0.00 C ATOM 897 C ILE A 61 22.472 -4.144 14.885 1.00 0.00 C ATOM 898 O ILE A 61 21.611 -4.289 15.752 1.00 0.00 O ATOM 899 CB ILE A 61 24.487 -2.587 15.253 1.00 0.00 C ATOM 900 CG1 ILE A 61 25.966 -2.568 15.718 1.00 0.00 C ATOM 901 CG2 ILE A 61 23.623 -1.659 16.132 1.00 0.00 C ATOM 902 CD1 ILE A 61 26.623 -1.183 15.739 1.00 0.00 C ATOM 0 H ILE A 61 25.312 -4.413 13.738 1.00 0.00 H new ATOM 0 HA ILE A 61 24.024 -4.372 16.318 1.00 0.00 H new ATOM 0 HB ILE A 61 24.434 -2.214 14.230 1.00 0.00 H new ATOM 0 HG12 ILE A 61 26.021 -2.995 16.720 1.00 0.00 H new ATOM 0 HG13 ILE A 61 26.545 -3.218 15.062 1.00 0.00 H new ATOM 0 HG21 ILE A 61 24.023 -0.646 16.094 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.598 -1.658 15.762 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.637 -2.016 17.162 1.00 0.00 H new ATOM 0 HD11 ILE A 61 27.655 -1.275 16.078 1.00 0.00 H new ATOM 0 HD12 ILE A 61 26.607 -0.757 14.736 1.00 0.00 H new ATOM 0 HD13 ILE A 61 26.075 -0.531 16.419 1.00 0.00 H new ATOM 914 N LEU A 62 22.168 -4.158 13.582 1.00 0.00 N ATOM 915 CA LEU A 62 20.798 -4.317 13.084 1.00 0.00 C ATOM 916 C LEU A 62 20.249 -5.741 13.305 1.00 0.00 C ATOM 917 O LEU A 62 19.057 -5.904 13.569 1.00 0.00 O ATOM 918 CB LEU A 62 20.714 -3.911 11.602 1.00 0.00 C ATOM 919 CG LEU A 62 20.983 -2.438 11.234 1.00 0.00 C ATOM 920 CD1 LEU A 62 20.295 -1.465 12.203 1.00 0.00 C ATOM 921 CD2 LEU A 62 22.472 -2.091 11.125 1.00 0.00 C ATOM 0 H LEU A 62 22.865 -4.059 12.844 1.00 0.00 H new ATOM 0 HA LEU A 62 20.163 -3.649 13.666 1.00 0.00 H new ATOM 0 HB2 LEU A 62 21.421 -4.527 11.047 1.00 0.00 H new ATOM 0 HB3 LEU A 62 19.717 -4.167 11.242 1.00 0.00 H new ATOM 0 HG LEU A 62 20.549 -2.319 10.241 1.00 0.00 H new ATOM 0 HD11 LEU A 62 20.513 -0.440 11.904 1.00 0.00 H new ATOM 0 HD12 LEU A 62 19.218 -1.629 12.179 1.00 0.00 H new ATOM 0 HD13 LEU A 62 20.666 -1.635 13.214 1.00 0.00 H new ATOM 0 HD21 LEU A 62 22.582 -1.039 10.863 1.00 0.00 H new ATOM 0 HD22 LEU A 62 22.961 -2.280 12.081 1.00 0.00 H new ATOM 0 HD23 LEU A 62 22.934 -2.707 10.353 1.00 0.00 H new ATOM 933 N ASN A 63 21.104 -6.768 13.260 1.00 0.00 N ATOM 934 CA ASN A 63 20.760 -8.138 13.651 1.00 0.00 C ATOM 935 C ASN A 63 20.482 -8.244 15.164 1.00 0.00 C ATOM 936 O ASN A 63 19.535 -8.918 15.575 1.00 0.00 O ATOM 937 CB ASN A 63 21.904 -9.066 13.216 1.00 0.00 C ATOM 938 CG ASN A 63 21.624 -10.528 13.551 1.00 0.00 C ATOM 939 OD1 ASN A 63 20.914 -11.222 12.837 1.00 0.00 O ATOM 940 ND2 ASN A 63 22.171 -11.030 14.646 1.00 0.00 N ATOM 0 H ASN A 63 22.069 -6.669 12.946 1.00 0.00 H new ATOM 0 HA ASN A 63 19.838 -8.440 13.154 1.00 0.00 H new ATOM 0 HB2 ASN A 63 22.062 -8.966 12.142 1.00 0.00 H new ATOM 0 HB3 ASN A 63 22.827 -8.754 13.704 1.00 0.00 H new ATOM 0 HD21 ASN A 63 22.002 -12.003 14.901 1.00 0.00 H new ATOM 0 HD22 ASN A 63 22.762 -10.444 15.236 1.00 0.00 H new ATOM 947 N SER A 64 21.261 -7.558 16.004 1.00 0.00 N ATOM 948 CA SER A 64 21.037 -7.495 17.457 1.00 0.00 C ATOM 949 C SER A 64 19.733 -6.757 17.815 1.00 0.00 C ATOM 950 O SER A 64 18.993 -7.230 18.681 1.00 0.00 O ATOM 951 CB SER A 64 22.221 -6.832 18.163 1.00 0.00 C ATOM 952 OG SER A 64 23.414 -7.596 18.015 1.00 0.00 O ATOM 0 H SER A 64 22.074 -7.024 15.695 1.00 0.00 H new ATOM 0 HA SER A 64 20.943 -8.524 17.804 1.00 0.00 H new ATOM 0 HB2 SER A 64 22.375 -5.833 17.756 1.00 0.00 H new ATOM 0 HB3 SER A 64 21.994 -6.713 19.222 1.00 0.00 H new ATOM 0 HG SER A 64 23.777 -7.464 17.114 1.00 0.00 H new ATOM 958 N PHE A 65 19.407 -5.658 17.118 1.00 0.00 N ATOM 959 CA PHE A 65 18.228 -4.813 17.368 1.00 0.00 C ATOM 960 C PHE A 65 16.890 -5.582 17.390 1.00 0.00 C ATOM 961 O PHE A 65 15.996 -5.227 18.160 1.00 0.00 O ATOM 962 CB PHE A 65 18.209 -3.688 16.323 1.00 0.00 C ATOM 963 CG PHE A 65 16.966 -2.820 16.362 1.00 0.00 C ATOM 964 CD1 PHE A 65 16.772 -1.883 17.399 1.00 0.00 C ATOM 965 CD2 PHE A 65 15.980 -2.972 15.369 1.00 0.00 C ATOM 966 CE1 PHE A 65 15.599 -1.107 17.434 1.00 0.00 C ATOM 967 CE2 PHE A 65 14.809 -2.194 15.408 1.00 0.00 C ATOM 968 CZ PHE A 65 14.621 -1.256 16.434 1.00 0.00 C ATOM 0 H PHE A 65 19.974 -5.322 16.340 1.00 0.00 H new ATOM 0 HA PHE A 65 18.322 -4.404 18.374 1.00 0.00 H new ATOM 0 HB2 PHE A 65 19.084 -3.056 16.471 1.00 0.00 H new ATOM 0 HB3 PHE A 65 18.299 -4.129 15.330 1.00 0.00 H new ATOM 0 HD1 PHE A 65 17.523 -1.762 18.165 1.00 0.00 H new ATOM 0 HD2 PHE A 65 16.123 -3.689 14.574 1.00 0.00 H new ATOM 0 HE1 PHE A 65 15.449 -0.394 18.231 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.053 -2.319 14.647 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.728 -0.650 16.456 1.00 0.00 H new ATOM 978 N GLU A 66 16.767 -6.666 16.618 1.00 0.00 N ATOM 979 CA GLU A 66 15.613 -7.579 16.659 1.00 0.00 C ATOM 980 C GLU A 66 15.332 -8.120 18.076 1.00 0.00 C ATOM 981 O GLU A 66 14.179 -8.309 18.461 1.00 0.00 O ATOM 982 CB GLU A 66 15.851 -8.773 15.726 1.00 0.00 C ATOM 983 CG GLU A 66 15.877 -8.386 14.241 1.00 0.00 C ATOM 984 CD GLU A 66 16.043 -9.632 13.355 1.00 0.00 C ATOM 985 OE1 GLU A 66 15.148 -10.511 13.339 1.00 0.00 O ATOM 986 OE2 GLU A 66 17.068 -9.737 12.643 1.00 0.00 O ATOM 0 H GLU A 66 17.474 -6.941 15.936 1.00 0.00 H new ATOM 0 HA GLU A 66 14.749 -6.998 16.337 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.797 -9.247 15.988 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.068 -9.514 15.888 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.954 -7.868 13.979 1.00 0.00 H new ATOM 0 HG3 GLU A 66 16.696 -7.691 14.056 1.00 0.00 H new ATOM 993 N HIS A 67 16.384 -8.349 18.860 1.00 0.00 N ATOM 994 CA HIS A 67 16.310 -8.890 20.221 1.00 0.00 C ATOM 995 C HIS A 67 16.286 -7.787 21.302 1.00 0.00 C ATOM 996 O HIS A 67 15.942 -8.052 22.459 1.00 0.00 O ATOM 997 CB HIS A 67 17.497 -9.843 20.412 1.00 0.00 C ATOM 998 CG HIS A 67 17.541 -10.958 19.391 1.00 0.00 C ATOM 999 ND1 HIS A 67 18.238 -10.966 18.203 1.00 0.00 N ATOM 1000 CD2 HIS A 67 16.867 -12.149 19.466 1.00 0.00 C ATOM 1001 CE1 HIS A 67 17.988 -12.129 17.578 1.00 0.00 C ATOM 1002 NE2 HIS A 67 17.166 -12.900 18.317 1.00 0.00 N ATOM 0 H HIS A 67 17.340 -8.159 18.560 1.00 0.00 H new ATOM 0 HA HIS A 67 15.369 -9.427 20.342 1.00 0.00 H new ATOM 0 HB2 HIS A 67 18.424 -9.273 20.357 1.00 0.00 H new ATOM 0 HB3 HIS A 67 17.449 -10.276 21.411 1.00 0.00 H new ATOM 0 HD2 HIS A 67 16.217 -12.458 20.271 1.00 0.00 H new ATOM 0 HE1 HIS A 67 18.391 -12.408 16.615 1.00 0.00 H new ATOM 0 HE2 HIS A 67 16.830 -13.836 18.089 1.00 0.00 H new ATOM 1010 N GLU A 68 16.645 -6.551 20.943 1.00 0.00 N ATOM 1011 CA GLU A 68 16.633 -5.388 21.838 1.00 0.00 C ATOM 1012 C GLU A 68 15.247 -4.723 21.947 1.00 0.00 C ATOM 1013 O GLU A 68 15.011 -3.985 22.906 1.00 0.00 O ATOM 1014 CB GLU A 68 17.654 -4.343 21.360 1.00 0.00 C ATOM 1015 CG GLU A 68 19.105 -4.838 21.389 1.00 0.00 C ATOM 1016 CD GLU A 68 19.577 -5.250 22.793 1.00 0.00 C ATOM 1017 OE1 GLU A 68 19.375 -4.482 23.766 1.00 0.00 O ATOM 1018 OE2 GLU A 68 20.148 -6.357 22.949 1.00 0.00 O ATOM 0 H GLU A 68 16.960 -6.325 19.999 1.00 0.00 H new ATOM 0 HA GLU A 68 16.897 -5.759 22.828 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.403 -4.042 20.343 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.570 -3.454 21.985 1.00 0.00 H new ATOM 0 HG2 GLU A 68 19.205 -5.689 20.715 1.00 0.00 H new ATOM 0 HG3 GLU A 68 19.758 -4.052 21.009 1.00 0.00 H new ATOM 1025 N PHE A 69 14.329 -4.988 21.007 1.00 0.00 N ATOM 1026 CA PHE A 69 12.999 -4.367 20.962 1.00 0.00 C ATOM 1027 C PHE A 69 11.921 -5.232 20.294 1.00 0.00 C ATOM 1028 O PHE A 69 10.849 -5.393 20.877 1.00 0.00 O ATOM 1029 CB PHE A 69 13.115 -2.985 20.279 1.00 0.00 C ATOM 1030 CG PHE A 69 11.796 -2.267 20.041 1.00 0.00 C ATOM 1031 CD1 PHE A 69 10.836 -2.147 21.065 1.00 0.00 C ATOM 1032 CD2 PHE A 69 11.527 -1.711 18.776 1.00 0.00 C ATOM 1033 CE1 PHE A 69 9.600 -1.518 20.811 1.00 0.00 C ATOM 1034 CE2 PHE A 69 10.296 -1.072 18.525 1.00 0.00 C ATOM 1035 CZ PHE A 69 9.332 -0.977 19.541 1.00 0.00 C ATOM 0 H PHE A 69 14.492 -5.648 20.247 1.00 0.00 H new ATOM 0 HA PHE A 69 12.660 -4.255 21.992 1.00 0.00 H new ATOM 0 HB2 PHE A 69 13.752 -2.347 20.892 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.619 -3.112 19.321 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.048 -2.539 22.049 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.268 -1.774 17.993 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.858 -1.452 21.593 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.094 -0.655 17.549 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.388 -0.490 19.348 1.00 0.00 H new ATOM 1045 N LEU A 70 12.157 -5.786 19.095 1.00 0.00 N ATOM 1046 CA LEU A 70 11.081 -6.424 18.319 1.00 0.00 C ATOM 1047 C LEU A 70 10.558 -7.717 18.947 1.00 0.00 C ATOM 1048 O LEU A 70 9.342 -7.889 19.048 1.00 0.00 O ATOM 1049 CB LEU A 70 11.517 -6.648 16.856 1.00 0.00 C ATOM 1050 CG LEU A 70 11.236 -5.489 15.875 1.00 0.00 C ATOM 1051 CD1 LEU A 70 9.745 -5.092 15.874 1.00 0.00 C ATOM 1052 CD2 LEU A 70 12.112 -4.270 16.175 1.00 0.00 C ATOM 0 H LEU A 70 13.072 -5.806 18.645 1.00 0.00 H new ATOM 0 HA LEU A 70 10.242 -5.728 18.332 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.587 -6.854 16.845 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.017 -7.542 16.483 1.00 0.00 H new ATOM 0 HG LEU A 70 11.490 -5.852 14.879 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.587 -4.274 15.172 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.141 -5.948 15.575 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.453 -4.773 16.874 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.886 -3.475 15.464 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.912 -3.919 17.187 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.163 -4.547 16.087 1.00 0.00 H new ATOM 1064 N SER A 71 11.435 -8.604 19.417 1.00 0.00 N ATOM 1065 CA SER A 71 11.025 -9.821 20.141 1.00 0.00 C ATOM 1066 C SER A 71 10.358 -9.522 21.495 1.00 0.00 C ATOM 1067 O SER A 71 9.554 -10.319 21.976 1.00 0.00 O ATOM 1068 CB SER A 71 12.222 -10.764 20.344 1.00 0.00 C ATOM 1069 OG SER A 71 13.186 -10.218 21.234 1.00 0.00 O ATOM 0 H SER A 71 12.445 -8.506 19.311 1.00 0.00 H new ATOM 0 HA SER A 71 10.277 -10.309 19.516 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.869 -11.719 20.734 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.691 -10.966 19.381 1.00 0.00 H new ATOM 0 HG SER A 71 13.929 -10.848 21.338 1.00 0.00 H new ATOM 1075 N LYS A 72 10.631 -8.361 22.106 1.00 0.00 N ATOM 1076 CA LYS A 72 9.956 -7.904 23.333 1.00 0.00 C ATOM 1077 C LYS A 72 8.540 -7.385 23.032 1.00 0.00 C ATOM 1078 O LYS A 72 7.602 -7.670 23.778 1.00 0.00 O ATOM 1079 CB LYS A 72 10.800 -6.812 24.016 1.00 0.00 C ATOM 1080 CG LYS A 72 12.245 -7.228 24.337 1.00 0.00 C ATOM 1081 CD LYS A 72 13.016 -6.047 24.937 1.00 0.00 C ATOM 1082 CE LYS A 72 14.484 -6.416 25.188 1.00 0.00 C ATOM 1083 NZ LYS A 72 15.286 -5.213 25.539 1.00 0.00 N ATOM 0 H LYS A 72 11.332 -7.706 21.761 1.00 0.00 H new ATOM 0 HA LYS A 72 9.857 -8.754 24.008 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.823 -5.933 23.372 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.307 -6.516 24.942 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.243 -8.064 25.037 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.742 -7.573 23.430 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.963 -5.193 24.262 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.549 -5.742 25.874 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.546 -7.146 25.995 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.901 -6.888 24.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.244 -5.504 25.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.343 -4.581 24.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.832 -4.712 26.329 1.00 0.00 H new