USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=16 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 Set 1.1: A 31 CYS SG : rot -64:sc= -0.0375 USER MOD Set 1.2: A 41 MET CE :methyl -169:sc= -0.879 (180deg=-0.708) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0371 USER MOD Single : A 6 GLN : amide:sc= -0.0338 X(o=-0.034,f=-0.034) USER MOD Single : A 7 GLN : amide:sc= 1.07 K(o=1.1,f=-0.64) USER MOD Single : A 13 GLN : amide:sc= 1.24 K(o=1.2,f=0) USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -149:sc= 1.28 (180deg=0.999) USER MOD Single : A 33 GLN : amide:sc= -0.021 X(o=-0.021,f=-0.021) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -80:sc= 0.128 USER MOD Single : A 51 SER OG : rot 90:sc= 0.823 USER MOD Single : A 52 THR OG1 : rot -75:sc= 1.03 USER MOD Single : A 53 HIS : no HE2:sc= 0.0312 K(o=0.031,f=-0.5) 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= -0.0226 X(o=-0.023,f=0) USER MOD Single : A 64 SER OG : rot 76:sc= 0.825 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 170:sc= -0.117 USER MOD Single : A 72 LYS NZ :NH3+ 172:sc= 0.578 (180deg=0.565) USER MOD ----------------------------------------------------------------- ATOM 39 N SER A 4 9.841 0.933 1.897 1.00 0.00 N ATOM 40 CA SER A 4 10.966 1.046 0.954 1.00 0.00 C ATOM 41 C SER A 4 12.139 1.873 1.524 1.00 0.00 C ATOM 42 O SER A 4 11.973 2.655 2.466 1.00 0.00 O ATOM 43 CB SER A 4 10.480 1.674 -0.364 1.00 0.00 C ATOM 44 OG SER A 4 10.192 3.061 -0.222 1.00 0.00 O ATOM 0 HA SER A 4 11.339 0.037 0.776 1.00 0.00 H new ATOM 0 HB2 SER A 4 11.242 1.539 -1.132 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.586 1.152 -0.706 1.00 0.00 H new ATOM 0 HG SER A 4 9.888 3.422 -1.081 1.00 0.00 H new ATOM 50 N ALA A 5 13.330 1.749 0.922 1.00 0.00 N ATOM 51 CA ALA A 5 14.497 2.569 1.280 1.00 0.00 C ATOM 52 C ALA A 5 14.270 4.068 0.986 1.00 0.00 C ATOM 53 O ALA A 5 14.742 4.919 1.740 1.00 0.00 O ATOM 54 CB ALA A 5 15.725 2.014 0.539 1.00 0.00 C ATOM 0 H ALA A 5 13.512 1.079 0.175 1.00 0.00 H new ATOM 0 HA ALA A 5 14.664 2.508 2.355 1.00 0.00 H new ATOM 0 HB1 ALA A 5 16.602 2.610 0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 5 15.892 0.978 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.553 2.060 -0.536 1.00 0.00 H new ATOM 60 N GLN A 6 13.495 4.388 -0.062 1.00 0.00 N ATOM 61 CA GLN A 6 13.123 5.761 -0.425 1.00 0.00 C ATOM 62 C GLN A 6 12.196 6.404 0.619 1.00 0.00 C ATOM 63 O GLN A 6 12.248 7.618 0.807 1.00 0.00 O ATOM 64 CB GLN A 6 12.446 5.761 -1.810 1.00 0.00 C ATOM 65 CG GLN A 6 13.349 5.286 -2.962 1.00 0.00 C ATOM 66 CD GLN A 6 14.582 6.170 -3.171 1.00 0.00 C ATOM 67 OE1 GLN A 6 15.692 5.833 -2.777 1.00 0.00 O ATOM 68 NE2 GLN A 6 14.441 7.332 -3.779 1.00 0.00 N ATOM 0 H GLN A 6 13.103 3.687 -0.691 1.00 0.00 H new ATOM 0 HA GLN A 6 14.034 6.358 -0.457 1.00 0.00 H new ATOM 0 HB2 GLN A 6 11.564 5.122 -1.769 1.00 0.00 H new ATOM 0 HB3 GLN A 6 12.098 6.770 -2.030 1.00 0.00 H new ATOM 0 HG2 GLN A 6 13.673 4.264 -2.763 1.00 0.00 H new ATOM 0 HG3 GLN A 6 12.768 5.262 -3.884 1.00 0.00 H new ATOM 0 HE21 GLN A 6 13.523 7.625 -4.112 1.00 0.00 H new ATOM 0 HE22 GLN A 6 15.250 7.937 -3.916 1.00 0.00 H new ATOM 77 N GLN A 7 11.384 5.606 1.323 1.00 0.00 N ATOM 78 CA GLN A 7 10.619 6.046 2.490 1.00 0.00 C ATOM 79 C GLN A 7 11.527 6.153 3.724 1.00 0.00 C ATOM 80 O GLN A 7 11.610 7.221 4.337 1.00 0.00 O ATOM 81 CB GLN A 7 9.431 5.088 2.710 1.00 0.00 C ATOM 82 CG GLN A 7 8.657 5.280 4.024 1.00 0.00 C ATOM 83 CD GLN A 7 8.036 6.666 4.208 1.00 0.00 C ATOM 84 OE1 GLN A 7 7.908 7.471 3.290 1.00 0.00 O ATOM 85 NE2 GLN A 7 7.615 6.997 5.411 1.00 0.00 N ATOM 0 H GLN A 7 11.240 4.623 1.092 1.00 0.00 H new ATOM 0 HA GLN A 7 10.217 7.044 2.316 1.00 0.00 H new ATOM 0 HB2 GLN A 7 8.735 5.204 1.879 1.00 0.00 H new ATOM 0 HB3 GLN A 7 9.802 4.064 2.674 1.00 0.00 H new ATOM 0 HG2 GLN A 7 7.865 4.533 4.075 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.332 5.086 4.858 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.714 6.340 6.185 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.190 7.911 5.569 1.00 0.00 H new ATOM 94 N LEU A 8 12.209 5.063 4.105 1.00 0.00 N ATOM 95 CA LEU A 8 12.916 4.950 5.385 1.00 0.00 C ATOM 96 C LEU A 8 14.085 5.936 5.530 1.00 0.00 C ATOM 97 O LEU A 8 14.310 6.459 6.625 1.00 0.00 O ATOM 98 CB LEU A 8 13.309 3.471 5.589 1.00 0.00 C ATOM 99 CG LEU A 8 13.783 3.152 7.024 1.00 0.00 C ATOM 100 CD1 LEU A 8 13.246 1.790 7.486 1.00 0.00 C ATOM 101 CD2 LEU A 8 15.314 3.136 7.137 1.00 0.00 C ATOM 0 H LEU A 8 12.285 4.227 3.525 1.00 0.00 H new ATOM 0 HA LEU A 8 12.249 5.249 6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.454 2.840 5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.102 3.214 4.887 1.00 0.00 H new ATOM 0 HG LEU A 8 13.392 3.946 7.661 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.593 1.587 8.499 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.156 1.805 7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.607 1.010 6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.601 2.908 8.163 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.720 2.376 6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.710 4.113 6.859 1.00 0.00 H new ATOM 113 N ALA A 9 14.780 6.258 4.435 1.00 0.00 N ATOM 114 CA ALA A 9 15.901 7.206 4.431 1.00 0.00 C ATOM 115 C ALA A 9 15.521 8.640 4.844 1.00 0.00 C ATOM 116 O ALA A 9 16.388 9.390 5.297 1.00 0.00 O ATOM 117 CB ALA A 9 16.562 7.177 3.049 1.00 0.00 C ATOM 0 H ALA A 9 14.579 5.864 3.516 1.00 0.00 H new ATOM 0 HA ALA A 9 16.605 6.882 5.198 1.00 0.00 H new ATOM 0 HB1 ALA A 9 17.397 7.877 3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 9 16.927 6.171 2.841 1.00 0.00 H new ATOM 0 HB3 ALA A 9 15.833 7.462 2.291 1.00 0.00 H new ATOM 123 N GLU A 10 14.247 9.027 4.744 1.00 0.00 N ATOM 124 CA GLU A 10 13.763 10.344 5.171 1.00 0.00 C ATOM 125 C GLU A 10 13.793 10.514 6.699 1.00 0.00 C ATOM 126 O GLU A 10 13.968 11.639 7.174 1.00 0.00 O ATOM 127 CB GLU A 10 12.359 10.612 4.611 1.00 0.00 C ATOM 128 CG GLU A 10 12.310 10.701 3.074 1.00 0.00 C ATOM 129 CD GLU A 10 13.090 11.913 2.534 1.00 0.00 C ATOM 130 OE1 GLU A 10 12.551 13.046 2.544 1.00 0.00 O ATOM 131 OE2 GLU A 10 14.252 11.747 2.089 1.00 0.00 O ATOM 0 H GLU A 10 13.514 8.430 4.361 1.00 0.00 H new ATOM 0 HA GLU A 10 14.448 11.087 4.762 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.689 9.819 4.941 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.982 11.544 5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.722 9.787 2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.272 10.766 2.749 1.00 0.00 H new ATOM 138 N GLU A 11 13.695 9.426 7.475 1.00 0.00 N ATOM 139 CA GLU A 11 13.843 9.455 8.934 1.00 0.00 C ATOM 140 C GLU A 11 15.319 9.399 9.360 1.00 0.00 C ATOM 141 O GLU A 11 15.699 10.083 10.308 1.00 0.00 O ATOM 142 CB GLU A 11 13.030 8.324 9.588 1.00 0.00 C ATOM 143 CG GLU A 11 11.587 8.737 9.915 1.00 0.00 C ATOM 144 CD GLU A 11 10.787 9.199 8.691 1.00 0.00 C ATOM 145 OE1 GLU A 11 10.540 8.379 7.781 1.00 0.00 O ATOM 146 OE2 GLU A 11 10.380 10.385 8.642 1.00 0.00 O ATOM 0 H GLU A 11 13.509 8.494 7.104 1.00 0.00 H new ATOM 0 HA GLU A 11 13.445 10.407 9.286 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.014 7.462 8.921 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.529 8.008 10.504 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.073 7.894 10.377 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.606 9.541 10.651 1.00 0.00 H new ATOM 153 N LEU A 12 16.185 8.667 8.643 1.00 0.00 N ATOM 154 CA LEU A 12 17.636 8.620 8.897 1.00 0.00 C ATOM 155 C LEU A 12 18.278 10.016 8.868 1.00 0.00 C ATOM 156 O LEU A 12 19.173 10.306 9.666 1.00 0.00 O ATOM 157 CB LEU A 12 18.318 7.703 7.859 1.00 0.00 C ATOM 158 CG LEU A 12 17.825 6.244 7.813 1.00 0.00 C ATOM 159 CD1 LEU A 12 18.592 5.470 6.737 1.00 0.00 C ATOM 160 CD2 LEU A 12 17.969 5.498 9.146 1.00 0.00 C ATOM 0 H LEU A 12 15.895 8.082 7.859 1.00 0.00 H new ATOM 0 HA LEU A 12 17.781 8.218 9.900 1.00 0.00 H new ATOM 0 HB2 LEU A 12 18.181 8.142 6.871 1.00 0.00 H new ATOM 0 HB3 LEU A 12 19.389 7.697 8.059 1.00 0.00 H new ATOM 0 HG LEU A 12 16.760 6.296 7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.239 4.439 6.709 1.00 0.00 H new ATOM 0 HD12 LEU A 12 18.427 5.936 5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 12 19.657 5.483 6.969 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.601 4.478 9.034 1.00 0.00 H new ATOM 0 HD22 LEU A 12 19.019 5.475 9.438 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.390 6.010 9.914 1.00 0.00 H new ATOM 172 N GLN A 13 17.796 10.892 7.986 1.00 0.00 N ATOM 173 CA GLN A 13 18.241 12.282 7.846 1.00 0.00 C ATOM 174 C GLN A 13 17.858 13.183 9.042 1.00 0.00 C ATOM 175 O GLN A 13 18.449 14.250 9.210 1.00 0.00 O ATOM 176 CB GLN A 13 17.659 12.862 6.541 1.00 0.00 C ATOM 177 CG GLN A 13 18.358 12.316 5.285 1.00 0.00 C ATOM 178 CD GLN A 13 17.559 12.625 4.018 1.00 0.00 C ATOM 179 OE1 GLN A 13 17.663 13.688 3.417 1.00 0.00 O ATOM 180 NE2 GLN A 13 16.712 11.711 3.595 1.00 0.00 N ATOM 0 H GLN A 13 17.059 10.646 7.325 1.00 0.00 H new ATOM 0 HA GLN A 13 19.331 12.269 7.819 1.00 0.00 H new ATOM 0 HB2 GLN A 13 16.595 12.632 6.489 1.00 0.00 H new ATOM 0 HB3 GLN A 13 17.749 13.948 6.559 1.00 0.00 H new ATOM 0 HG2 GLN A 13 19.354 12.752 5.203 1.00 0.00 H new ATOM 0 HG3 GLN A 13 18.489 11.238 5.380 1.00 0.00 H new ATOM 0 HE21 GLN A 13 16.625 10.826 4.095 1.00 0.00 H new ATOM 0 HE22 GLN A 13 16.143 11.887 2.767 1.00 0.00 H new ATOM 189 N ILE A 14 16.896 12.779 9.888 1.00 0.00 N ATOM 190 CA ILE A 14 16.500 13.533 11.097 1.00 0.00 C ATOM 191 C ILE A 14 17.471 13.258 12.255 1.00 0.00 C ATOM 192 O ILE A 14 17.879 14.185 12.962 1.00 0.00 O ATOM 193 CB ILE A 14 15.046 13.181 11.498 1.00 0.00 C ATOM 194 CG1 ILE A 14 14.035 13.370 10.340 1.00 0.00 C ATOM 195 CG2 ILE A 14 14.586 13.990 12.725 1.00 0.00 C ATOM 196 CD1 ILE A 14 13.985 14.772 9.712 1.00 0.00 C ATOM 0 H ILE A 14 16.367 11.917 9.755 1.00 0.00 H new ATOM 0 HA ILE A 14 16.545 14.598 10.870 1.00 0.00 H new ATOM 0 HB ILE A 14 15.061 12.121 11.752 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.272 12.651 9.556 1.00 0.00 H new ATOM 0 HG13 ILE A 14 13.040 13.123 10.709 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.561 13.717 12.978 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.239 13.772 13.570 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.632 15.055 12.497 1.00 0.00 H new ATOM 0 HD11 ILE A 14 13.243 14.787 8.913 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.712 15.502 10.474 1.00 0.00 H new ATOM 0 HD13 ILE A 14 14.964 15.023 9.303 1.00 0.00 H new ATOM 208 N PHE A 15 17.875 11.996 12.429 1.00 0.00 N ATOM 209 CA PHE A 15 18.809 11.557 13.472 1.00 0.00 C ATOM 210 C PHE A 15 20.294 11.667 13.061 1.00 0.00 C ATOM 211 O PHE A 15 21.177 11.562 13.917 1.00 0.00 O ATOM 212 CB PHE A 15 18.453 10.113 13.861 1.00 0.00 C ATOM 213 CG PHE A 15 17.082 9.977 14.494 1.00 0.00 C ATOM 214 CD1 PHE A 15 16.893 10.331 15.841 1.00 0.00 C ATOM 215 CD2 PHE A 15 15.987 9.519 13.735 1.00 0.00 C ATOM 216 CE1 PHE A 15 15.621 10.211 16.434 1.00 0.00 C ATOM 217 CE2 PHE A 15 14.716 9.397 14.325 1.00 0.00 C ATOM 218 CZ PHE A 15 14.532 9.740 15.676 1.00 0.00 C ATOM 0 H PHE A 15 17.554 11.232 11.834 1.00 0.00 H new ATOM 0 HA PHE A 15 18.699 12.227 14.325 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.498 9.484 12.972 1.00 0.00 H new ATOM 0 HB3 PHE A 15 19.204 9.737 14.556 1.00 0.00 H new ATOM 0 HD1 PHE A 15 17.726 10.696 16.423 1.00 0.00 H new ATOM 0 HD2 PHE A 15 16.124 9.260 12.695 1.00 0.00 H new ATOM 0 HE1 PHE A 15 15.481 10.480 17.470 1.00 0.00 H new ATOM 0 HE2 PHE A 15 13.881 9.040 13.740 1.00 0.00 H new ATOM 0 HZ PHE A 15 13.558 9.642 16.131 1.00 0.00 H new ATOM 228 N GLY A 16 20.588 11.871 11.769 1.00 0.00 N ATOM 229 CA GLY A 16 21.954 11.952 11.228 1.00 0.00 C ATOM 230 C GLY A 16 22.596 10.582 10.991 1.00 0.00 C ATOM 231 O GLY A 16 23.821 10.452 11.080 1.00 0.00 O ATOM 0 H GLY A 16 19.868 11.987 11.055 1.00 0.00 H new ATOM 0 HA2 GLY A 16 21.932 12.503 10.288 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.577 12.523 11.917 1.00 0.00 H new ATOM 235 N LEU A 17 21.777 9.559 10.729 1.00 0.00 N ATOM 236 CA LEU A 17 22.195 8.168 10.532 1.00 0.00 C ATOM 237 C LEU A 17 22.783 7.970 9.128 1.00 0.00 C ATOM 238 O LEU A 17 22.062 7.839 8.141 1.00 0.00 O ATOM 239 CB LEU A 17 20.999 7.236 10.804 1.00 0.00 C ATOM 240 CG LEU A 17 20.620 7.119 12.296 1.00 0.00 C ATOM 241 CD1 LEU A 17 19.272 6.396 12.413 1.00 0.00 C ATOM 242 CD2 LEU A 17 21.671 6.339 13.096 1.00 0.00 C ATOM 0 H LEU A 17 20.768 9.681 10.645 1.00 0.00 H new ATOM 0 HA LEU A 17 22.987 7.917 11.237 1.00 0.00 H new ATOM 0 HB2 LEU A 17 20.135 7.599 10.248 1.00 0.00 H new ATOM 0 HB3 LEU A 17 21.231 6.243 10.420 1.00 0.00 H new ATOM 0 HG LEU A 17 20.562 8.127 12.707 1.00 0.00 H new ATOM 0 HD11 LEU A 17 18.996 6.309 13.464 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.507 6.964 11.883 1.00 0.00 H new ATOM 0 HD13 LEU A 17 19.354 5.401 11.975 1.00 0.00 H new ATOM 0 HD21 LEU A 17 21.364 6.281 14.140 1.00 0.00 H new ATOM 0 HD22 LEU A 17 21.765 5.332 12.689 1.00 0.00 H new ATOM 0 HD23 LEU A 17 22.632 6.849 13.028 1.00 0.00 H new ATOM 254 N ASP A 18 24.113 7.928 9.042 1.00 0.00 N ATOM 255 CA ASP A 18 24.889 7.790 7.799 1.00 0.00 C ATOM 256 C ASP A 18 25.023 6.313 7.355 1.00 0.00 C ATOM 257 O ASP A 18 26.114 5.828 7.047 1.00 0.00 O ATOM 258 CB ASP A 18 26.239 8.512 7.993 1.00 0.00 C ATOM 259 CG ASP A 18 27.058 8.638 6.695 1.00 0.00 C ATOM 260 OD1 ASP A 18 26.478 9.007 5.644 1.00 0.00 O ATOM 261 OD2 ASP A 18 28.291 8.413 6.728 1.00 0.00 O ATOM 0 H ASP A 18 24.708 7.991 9.868 1.00 0.00 H new ATOM 0 HA ASP A 18 24.363 8.265 6.971 1.00 0.00 H new ATOM 0 HB2 ASP A 18 26.055 9.508 8.396 1.00 0.00 H new ATOM 0 HB3 ASP A 18 26.828 7.972 8.734 1.00 0.00 H new ATOM 266 N CYS A 19 23.906 5.575 7.364 1.00 0.00 N ATOM 267 CA CYS A 19 23.839 4.155 6.997 1.00 0.00 C ATOM 268 C CYS A 19 24.080 3.926 5.491 1.00 0.00 C ATOM 269 O CYS A 19 23.609 4.697 4.652 1.00 0.00 O ATOM 270 CB CYS A 19 22.474 3.592 7.422 1.00 0.00 C ATOM 271 SG CYS A 19 22.361 3.557 9.231 1.00 0.00 S ATOM 0 H CYS A 19 23.000 5.959 7.634 1.00 0.00 H new ATOM 0 HA CYS A 19 24.637 3.629 7.520 1.00 0.00 H new ATOM 0 HB2 CYS A 19 21.673 4.206 7.010 1.00 0.00 H new ATOM 0 HB3 CYS A 19 22.344 2.587 7.021 1.00 0.00 H new ATOM 0 HG CYS A 19 21.204 3.082 9.584 1.00 0.00 H new ATOM 277 N GLU A 20 24.760 2.828 5.154 1.00 0.00 N ATOM 278 CA GLU A 20 24.851 2.320 3.781 1.00 0.00 C ATOM 279 C GLU A 20 23.564 1.595 3.376 1.00 0.00 C ATOM 280 O GLU A 20 22.864 1.048 4.230 1.00 0.00 O ATOM 281 CB GLU A 20 26.067 1.397 3.599 1.00 0.00 C ATOM 282 CG GLU A 20 26.078 0.138 4.475 1.00 0.00 C ATOM 283 CD GLU A 20 27.390 -0.633 4.283 1.00 0.00 C ATOM 284 OE1 GLU A 20 27.520 -1.375 3.278 1.00 0.00 O ATOM 285 OE2 GLU A 20 28.299 -0.513 5.140 1.00 0.00 O ATOM 0 H GLU A 20 25.268 2.260 5.832 1.00 0.00 H new ATOM 0 HA GLU A 20 24.983 3.181 3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 20 26.116 1.092 2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 20 26.971 1.970 3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 20 25.961 0.415 5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 20 25.232 -0.500 4.217 1.00 0.00 H new ATOM 292 N GLU A 21 23.274 1.535 2.074 1.00 0.00 N ATOM 293 CA GLU A 21 22.062 0.919 1.525 1.00 0.00 C ATOM 294 C GLU A 21 21.860 -0.530 1.999 1.00 0.00 C ATOM 295 O GLU A 21 20.724 -0.931 2.244 1.00 0.00 O ATOM 296 CB GLU A 21 22.076 0.951 -0.009 1.00 0.00 C ATOM 297 CG GLU A 21 22.206 2.356 -0.620 1.00 0.00 C ATOM 298 CD GLU A 21 23.669 2.726 -0.915 1.00 0.00 C ATOM 299 OE1 GLU A 21 24.402 3.100 0.032 1.00 0.00 O ATOM 300 OE2 GLU A 21 24.096 2.642 -2.089 1.00 0.00 O ATOM 0 H GLU A 21 23.888 1.921 1.356 1.00 0.00 H new ATOM 0 HA GLU A 21 21.228 1.512 1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 21 22.903 0.337 -0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 21 21.158 0.493 -0.377 1.00 0.00 H new ATOM 0 HG2 GLU A 21 21.627 2.405 -1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 21 21.778 3.089 0.064 1.00 0.00 H new ATOM 307 N ALA A 22 22.947 -1.286 2.215 1.00 0.00 N ATOM 308 CA ALA A 22 22.888 -2.662 2.724 1.00 0.00 C ATOM 309 C ALA A 22 22.362 -2.748 4.173 1.00 0.00 C ATOM 310 O ALA A 22 21.723 -3.743 4.534 1.00 0.00 O ATOM 311 CB ALA A 22 24.287 -3.285 2.594 1.00 0.00 C ATOM 0 H ALA A 22 23.896 -0.957 2.040 1.00 0.00 H new ATOM 0 HA ALA A 22 22.170 -3.223 2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 22 24.265 -4.309 2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 22 24.589 -3.287 1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 22 25.001 -2.702 3.176 1.00 0.00 H new ATOM 317 N LEU A 23 22.592 -1.712 4.994 1.00 0.00 N ATOM 318 CA LEU A 23 22.001 -1.592 6.332 1.00 0.00 C ATOM 319 C LEU A 23 20.606 -0.955 6.275 1.00 0.00 C ATOM 320 O LEU A 23 19.741 -1.361 7.042 1.00 0.00 O ATOM 321 CB LEU A 23 22.943 -0.799 7.266 1.00 0.00 C ATOM 322 CG LEU A 23 24.327 -1.443 7.494 1.00 0.00 C ATOM 323 CD1 LEU A 23 25.100 -0.617 8.529 1.00 0.00 C ATOM 324 CD2 LEU A 23 24.250 -2.907 7.957 1.00 0.00 C ATOM 0 H LEU A 23 23.197 -0.930 4.745 1.00 0.00 H new ATOM 0 HA LEU A 23 21.879 -2.595 6.740 1.00 0.00 H new ATOM 0 HB2 LEU A 23 23.087 0.199 6.851 1.00 0.00 H new ATOM 0 HB3 LEU A 23 22.453 -0.675 8.232 1.00 0.00 H new ATOM 0 HG LEU A 23 24.841 -1.447 6.533 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.079 -1.066 8.695 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.226 0.401 8.161 1.00 0.00 H new ATOM 0 HD13 LEU A 23 24.545 -0.598 9.467 1.00 0.00 H new ATOM 0 HD21 LEU A 23 25.258 -3.297 8.098 1.00 0.00 H new ATOM 0 HD22 LEU A 23 23.704 -2.963 8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 23 23.733 -3.500 7.203 1.00 0.00 H new ATOM 336 N ILE A 24 20.333 -0.021 5.356 1.00 0.00 N ATOM 337 CA ILE A 24 18.970 0.534 5.163 1.00 0.00 C ATOM 338 C ILE A 24 17.988 -0.595 4.809 1.00 0.00 C ATOM 339 O ILE A 24 16.927 -0.716 5.427 1.00 0.00 O ATOM 340 CB ILE A 24 18.981 1.671 4.104 1.00 0.00 C ATOM 341 CG1 ILE A 24 19.905 2.820 4.573 1.00 0.00 C ATOM 342 CG2 ILE A 24 17.555 2.199 3.842 1.00 0.00 C ATOM 343 CD1 ILE A 24 19.993 4.034 3.635 1.00 0.00 C ATOM 0 H ILE A 24 21.034 0.373 4.728 1.00 0.00 H new ATOM 0 HA ILE A 24 18.628 0.983 6.095 1.00 0.00 H new ATOM 0 HB ILE A 24 19.365 1.265 3.168 1.00 0.00 H new ATOM 0 HG12 ILE A 24 19.560 3.163 5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.909 2.419 4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.592 2.994 3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 24 16.928 1.387 3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 24 17.136 2.590 4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.667 4.776 4.063 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.372 3.717 2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.002 4.472 3.512 1.00 0.00 H new ATOM 355 N GLU A 25 18.369 -1.480 3.880 1.00 0.00 N ATOM 356 CA GLU A 25 17.598 -2.680 3.536 1.00 0.00 C ATOM 357 C GLU A 25 17.331 -3.576 4.761 1.00 0.00 C ATOM 358 O GLU A 25 16.243 -4.136 4.871 1.00 0.00 O ATOM 359 CB GLU A 25 18.308 -3.483 2.437 1.00 0.00 C ATOM 360 CG GLU A 25 18.149 -2.836 1.055 1.00 0.00 C ATOM 361 CD GLU A 25 18.779 -3.710 -0.041 1.00 0.00 C ATOM 362 OE1 GLU A 25 20.025 -3.701 -0.203 1.00 0.00 O ATOM 363 OE2 GLU A 25 18.025 -4.414 -0.757 1.00 0.00 O ATOM 0 H GLU A 25 19.229 -1.382 3.341 1.00 0.00 H new ATOM 0 HA GLU A 25 16.631 -2.340 3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 25 19.368 -3.567 2.678 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.906 -4.496 2.411 1.00 0.00 H new ATOM 0 HG2 GLU A 25 17.091 -2.685 0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 25 18.618 -1.852 1.054 1.00 0.00 H new ATOM 370 N LYS A 26 18.257 -3.670 5.727 1.00 0.00 N ATOM 371 CA LYS A 26 18.036 -4.427 6.970 1.00 0.00 C ATOM 372 C LYS A 26 16.937 -3.814 7.858 1.00 0.00 C ATOM 373 O LYS A 26 16.177 -4.575 8.457 1.00 0.00 O ATOM 374 CB LYS A 26 19.381 -4.644 7.700 1.00 0.00 C ATOM 375 CG LYS A 26 19.269 -5.453 9.009 1.00 0.00 C ATOM 376 CD LYS A 26 18.747 -6.886 8.845 1.00 0.00 C ATOM 377 CE LYS A 26 18.611 -7.538 10.225 1.00 0.00 C ATOM 378 NZ LYS A 26 18.113 -8.935 10.140 1.00 0.00 N ATOM 0 H LYS A 26 19.174 -3.227 5.670 1.00 0.00 H new ATOM 0 HA LYS A 26 17.645 -5.411 6.709 1.00 0.00 H new ATOM 0 HB2 LYS A 26 20.068 -5.157 7.027 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.821 -3.672 7.924 1.00 0.00 H new ATOM 0 HG2 LYS A 26 20.252 -5.492 9.479 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.610 -4.919 9.693 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.782 -6.878 8.338 1.00 0.00 H new ATOM 0 HD3 LYS A 26 19.430 -7.465 8.223 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.579 -7.529 10.726 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.930 -6.948 10.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.556 -9.157 10.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.514 -9.039 9.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.920 -9.588 10.075 1.00 0.00 H new ATOM 392 N LEU A 27 16.784 -2.483 7.899 1.00 0.00 N ATOM 393 CA LEU A 27 15.665 -1.826 8.598 1.00 0.00 C ATOM 394 C LEU A 27 14.370 -1.894 7.777 1.00 0.00 C ATOM 395 O LEU A 27 13.309 -2.164 8.338 1.00 0.00 O ATOM 396 CB LEU A 27 16.004 -0.365 8.957 1.00 0.00 C ATOM 397 CG LEU A 27 17.014 -0.113 10.094 1.00 0.00 C ATOM 398 CD1 LEU A 27 16.699 -0.900 11.372 1.00 0.00 C ATOM 399 CD2 LEU A 27 18.451 -0.390 9.644 1.00 0.00 C ATOM 0 H LEU A 27 17.429 -1.832 7.451 1.00 0.00 H new ATOM 0 HA LEU A 27 15.503 -2.373 9.527 1.00 0.00 H new ATOM 0 HB2 LEU A 27 16.386 0.119 8.058 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.074 0.138 9.220 1.00 0.00 H new ATOM 0 HG LEU A 27 16.918 0.945 10.338 1.00 0.00 H new ATOM 0 HD11 LEU A 27 17.449 -0.676 12.131 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.713 -0.616 11.741 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.711 -1.968 11.154 1.00 0.00 H new ATOM 0 HD21 LEU A 27 19.134 -0.201 10.472 1.00 0.00 H new ATOM 0 HD22 LEU A 27 18.540 -1.430 9.330 1.00 0.00 H new ATOM 0 HD23 LEU A 27 18.703 0.264 8.809 1.00 0.00 H new ATOM 411 N VAL A 28 14.447 -1.707 6.457 1.00 0.00 N ATOM 412 CA VAL A 28 13.286 -1.835 5.554 1.00 0.00 C ATOM 413 C VAL A 28 12.684 -3.250 5.608 1.00 0.00 C ATOM 414 O VAL A 28 11.460 -3.387 5.624 1.00 0.00 O ATOM 415 CB VAL A 28 13.661 -1.436 4.107 1.00 0.00 C ATOM 416 CG1 VAL A 28 12.538 -1.730 3.087 1.00 0.00 C ATOM 417 CG2 VAL A 28 13.984 0.062 4.018 1.00 0.00 C ATOM 0 H VAL A 28 15.314 -1.462 5.978 1.00 0.00 H new ATOM 0 HA VAL A 28 12.519 -1.143 5.901 1.00 0.00 H new ATOM 0 HB VAL A 28 14.532 -2.042 3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.863 -1.428 2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.316 -2.797 3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.642 -1.173 3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.245 0.318 2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.113 0.641 4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.824 0.293 4.674 1.00 0.00 H new ATOM 427 N GLU A 29 13.509 -4.297 5.717 1.00 0.00 N ATOM 428 CA GLU A 29 13.061 -5.679 5.913 1.00 0.00 C ATOM 429 C GLU A 29 12.167 -5.824 7.155 1.00 0.00 C ATOM 430 O GLU A 29 11.146 -6.512 7.080 1.00 0.00 O ATOM 431 CB GLU A 29 14.284 -6.609 5.998 1.00 0.00 C ATOM 432 CG GLU A 29 13.939 -8.103 6.107 1.00 0.00 C ATOM 433 CD GLU A 29 13.161 -8.656 4.902 1.00 0.00 C ATOM 434 OE1 GLU A 29 13.557 -8.407 3.737 1.00 0.00 O ATOM 435 OE2 GLU A 29 12.164 -9.385 5.114 1.00 0.00 O ATOM 0 H GLU A 29 14.524 -4.206 5.671 1.00 0.00 H new ATOM 0 HA GLU A 29 12.452 -5.966 5.056 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.904 -6.455 5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.883 -6.323 6.862 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.862 -8.671 6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.351 -8.264 7.011 1.00 0.00 H new ATOM 442 N LEU A 30 12.464 -5.120 8.256 1.00 0.00 N ATOM 443 CA LEU A 30 11.605 -5.122 9.452 1.00 0.00 C ATOM 444 C LEU A 30 10.236 -4.501 9.141 1.00 0.00 C ATOM 445 O LEU A 30 9.214 -5.075 9.502 1.00 0.00 O ATOM 446 CB LEU A 30 12.288 -4.408 10.641 1.00 0.00 C ATOM 447 CG LEU A 30 13.717 -4.876 10.975 1.00 0.00 C ATOM 448 CD1 LEU A 30 14.266 -4.054 12.148 1.00 0.00 C ATOM 449 CD2 LEU A 30 13.784 -6.372 11.305 1.00 0.00 C ATOM 0 H LEU A 30 13.297 -4.538 8.345 1.00 0.00 H new ATOM 0 HA LEU A 30 11.446 -6.159 9.746 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.316 -3.339 10.430 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.666 -4.542 11.526 1.00 0.00 H new ATOM 0 HG LEU A 30 14.329 -4.718 10.087 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.277 -4.386 12.383 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.285 -2.999 11.876 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.627 -4.192 13.020 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.813 -6.649 11.533 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.152 -6.583 12.168 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.434 -6.949 10.449 1.00 0.00 H new ATOM 461 N CYS A 31 10.192 -3.373 8.425 1.00 0.00 N ATOM 462 CA CYS A 31 8.943 -2.718 8.012 1.00 0.00 C ATOM 463 C CYS A 31 8.093 -3.611 7.088 1.00 0.00 C ATOM 464 O CYS A 31 6.867 -3.591 7.185 1.00 0.00 O ATOM 465 CB CYS A 31 9.277 -1.371 7.358 1.00 0.00 C ATOM 466 SG CYS A 31 10.021 -0.274 8.596 1.00 0.00 S ATOM 0 H CYS A 31 11.030 -2.883 8.112 1.00 0.00 H new ATOM 0 HA CYS A 31 8.330 -2.543 8.896 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.965 -1.518 6.525 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.374 -0.918 6.949 1.00 0.00 H new ATOM 0 HG CYS A 31 9.155 -0.027 9.533 1.00 0.00 H new ATOM 472 N VAL A 32 8.731 -4.423 6.234 1.00 0.00 N ATOM 473 CA VAL A 32 8.071 -5.414 5.362 1.00 0.00 C ATOM 474 C VAL A 32 7.573 -6.632 6.166 1.00 0.00 C ATOM 475 O VAL A 32 6.460 -7.108 5.928 1.00 0.00 O ATOM 476 CB VAL A 32 9.009 -5.854 4.206 1.00 0.00 C ATOM 477 CG1 VAL A 32 8.450 -7.019 3.373 1.00 0.00 C ATOM 478 CG2 VAL A 32 9.274 -4.674 3.255 1.00 0.00 C ATOM 0 H VAL A 32 9.745 -4.411 6.125 1.00 0.00 H new ATOM 0 HA VAL A 32 7.198 -4.932 4.922 1.00 0.00 H new ATOM 0 HB VAL A 32 9.928 -6.192 4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.157 -7.274 2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.297 -7.885 4.016 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.500 -6.725 2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.933 -4.997 2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.330 -4.327 2.835 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.747 -3.861 3.807 1.00 0.00 H new ATOM 488 N GLN A 33 8.365 -7.139 7.116 1.00 0.00 N ATOM 489 CA GLN A 33 8.077 -8.352 7.891 1.00 0.00 C ATOM 490 C GLN A 33 7.008 -8.115 8.975 1.00 0.00 C ATOM 491 O GLN A 33 6.045 -8.877 9.076 1.00 0.00 O ATOM 492 CB GLN A 33 9.396 -8.852 8.510 1.00 0.00 C ATOM 493 CG GLN A 33 9.291 -10.171 9.290 1.00 0.00 C ATOM 494 CD GLN A 33 8.824 -11.350 8.428 1.00 0.00 C ATOM 495 OE1 GLN A 33 7.822 -12.001 8.706 1.00 0.00 O ATOM 496 NE2 GLN A 33 9.519 -11.677 7.353 1.00 0.00 N ATOM 0 H GLN A 33 9.251 -6.704 7.375 1.00 0.00 H new ATOM 0 HA GLN A 33 7.663 -9.109 7.225 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.129 -8.977 7.713 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.780 -8.082 9.179 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.263 -10.408 9.722 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.597 -10.040 10.120 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.355 -11.147 7.106 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.220 -12.459 6.770 1.00 0.00 H new ATOM 505 N TYR A 34 7.175 -7.069 9.794 1.00 0.00 N ATOM 506 CA TYR A 34 6.288 -6.736 10.920 1.00 0.00 C ATOM 507 C TYR A 34 5.066 -5.893 10.507 1.00 0.00 C ATOM 508 O TYR A 34 4.057 -5.892 11.219 1.00 0.00 O ATOM 509 CB TYR A 34 7.121 -6.006 11.990 1.00 0.00 C ATOM 510 CG TYR A 34 8.064 -6.913 12.760 1.00 0.00 C ATOM 511 CD1 TYR A 34 7.593 -7.603 13.897 1.00 0.00 C ATOM 512 CD2 TYR A 34 9.409 -7.064 12.361 1.00 0.00 C ATOM 513 CE1 TYR A 34 8.455 -8.447 14.624 1.00 0.00 C ATOM 514 CE2 TYR A 34 10.274 -7.909 13.080 1.00 0.00 C ATOM 515 CZ TYR A 34 9.798 -8.603 14.214 1.00 0.00 C ATOM 516 OH TYR A 34 10.638 -9.420 14.910 1.00 0.00 O ATOM 0 H TYR A 34 7.950 -6.413 9.691 1.00 0.00 H new ATOM 0 HA TYR A 34 5.878 -7.665 11.316 1.00 0.00 H new ATOM 0 HB2 TYR A 34 7.702 -5.218 11.510 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.445 -5.520 12.693 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.567 -7.483 14.211 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.777 -6.528 11.499 1.00 0.00 H new ATOM 0 HE1 TYR A 34 8.090 -8.974 15.493 1.00 0.00 H new ATOM 0 HE2 TYR A 34 11.300 -8.027 12.765 1.00 0.00 H new ATOM 0 HH TYR A 34 11.524 -9.412 14.491 1.00 0.00 H new ATOM 526 N GLY A 35 5.139 -5.163 9.389 1.00 0.00 N ATOM 527 CA GLY A 35 4.085 -4.247 8.917 1.00 0.00 C ATOM 528 C GLY A 35 4.008 -2.924 9.697 1.00 0.00 C ATOM 529 O GLY A 35 3.065 -2.148 9.515 1.00 0.00 O ATOM 0 H GLY A 35 5.949 -5.190 8.770 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.256 -4.026 7.863 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.122 -4.753 8.985 1.00 0.00 H new ATOM 533 N GLN A 36 4.971 -2.670 10.591 1.00 0.00 N ATOM 534 CA GLN A 36 5.024 -1.505 11.480 1.00 0.00 C ATOM 535 C GLN A 36 5.857 -0.373 10.844 1.00 0.00 C ATOM 536 O GLN A 36 6.819 -0.618 10.111 1.00 0.00 O ATOM 537 CB GLN A 36 5.582 -1.979 12.834 1.00 0.00 C ATOM 538 CG GLN A 36 5.721 -0.881 13.902 1.00 0.00 C ATOM 539 CD GLN A 36 6.220 -1.465 15.225 1.00 0.00 C ATOM 540 OE1 GLN A 36 5.448 -1.901 16.074 1.00 0.00 O ATOM 541 NE2 GLN A 36 7.516 -1.543 15.439 1.00 0.00 N ATOM 0 H GLN A 36 5.766 -3.296 10.719 1.00 0.00 H new ATOM 0 HA GLN A 36 4.032 -1.083 11.639 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.932 -2.763 13.223 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.561 -2.430 12.669 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.414 -0.115 13.554 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.758 -0.394 14.055 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.170 -1.185 14.743 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.866 -1.961 16.301 1.00 0.00 H new ATOM 550 N ASN A 37 5.485 0.881 11.120 1.00 0.00 N ATOM 551 CA ASN A 37 6.108 2.070 10.517 1.00 0.00 C ATOM 552 C ASN A 37 7.564 2.299 10.979 1.00 0.00 C ATOM 553 O ASN A 37 7.920 2.036 12.130 1.00 0.00 O ATOM 554 CB ASN A 37 5.253 3.315 10.802 1.00 0.00 C ATOM 555 CG ASN A 37 3.884 3.253 10.127 1.00 0.00 C ATOM 556 OD1 ASN A 37 3.780 3.193 8.904 1.00 0.00 O ATOM 557 ND2 ASN A 37 2.804 3.241 10.891 1.00 0.00 N ATOM 0 H ASN A 37 4.735 1.104 11.775 1.00 0.00 H new ATOM 0 HA ASN A 37 6.152 1.889 9.443 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.119 3.421 11.879 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.784 4.203 10.458 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.879 3.182 10.465 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.896 3.291 11.906 1.00 0.00 H new ATOM 564 N GLU A 38 8.384 2.845 10.082 1.00 0.00 N ATOM 565 CA GLU A 38 9.832 3.057 10.244 1.00 0.00 C ATOM 566 C GLU A 38 10.245 3.875 11.475 1.00 0.00 C ATOM 567 O GLU A 38 11.336 3.658 12.002 1.00 0.00 O ATOM 568 CB GLU A 38 10.423 3.673 8.962 1.00 0.00 C ATOM 569 CG GLU A 38 10.116 5.159 8.704 1.00 0.00 C ATOM 570 CD GLU A 38 8.613 5.458 8.613 1.00 0.00 C ATOM 571 OE1 GLU A 38 8.011 5.175 7.552 1.00 0.00 O ATOM 572 OE2 GLU A 38 8.022 5.896 9.626 1.00 0.00 O ATOM 0 H GLU A 38 8.045 3.169 9.176 1.00 0.00 H new ATOM 0 HA GLU A 38 10.248 2.065 10.420 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.506 3.550 8.993 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.061 3.098 8.110 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.551 5.758 9.504 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.598 5.467 7.776 1.00 0.00 H new ATOM 579 N GLU A 39 9.391 4.779 11.968 1.00 0.00 N ATOM 580 CA GLU A 39 9.636 5.568 13.184 1.00 0.00 C ATOM 581 C GLU A 39 9.932 4.702 14.426 1.00 0.00 C ATOM 582 O GLU A 39 10.730 5.107 15.278 1.00 0.00 O ATOM 583 CB GLU A 39 8.468 6.535 13.426 1.00 0.00 C ATOM 584 CG GLU A 39 7.116 5.862 13.699 1.00 0.00 C ATOM 585 CD GLU A 39 6.024 6.904 13.981 1.00 0.00 C ATOM 586 OE1 GLU A 39 5.937 7.399 15.128 1.00 0.00 O ATOM 587 OE2 GLU A 39 5.224 7.226 13.068 1.00 0.00 O ATOM 0 H GLU A 39 8.495 4.987 11.527 1.00 0.00 H new ATOM 0 HA GLU A 39 10.545 6.146 13.017 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.716 7.176 14.272 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.365 7.183 12.555 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.829 5.254 12.841 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.208 5.188 14.551 1.00 0.00 H new ATOM 594 N GLY A 40 9.354 3.491 14.507 1.00 0.00 N ATOM 595 CA GLY A 40 9.607 2.528 15.593 1.00 0.00 C ATOM 596 C GLY A 40 10.926 1.767 15.422 1.00 0.00 C ATOM 597 O GLY A 40 11.532 1.350 16.408 1.00 0.00 O ATOM 0 H GLY A 40 8.690 3.149 13.812 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.620 3.058 16.545 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.785 1.814 15.637 1.00 0.00 H new ATOM 601 N MET A 41 11.400 1.634 14.180 1.00 0.00 N ATOM 602 CA MET A 41 12.682 1.011 13.835 1.00 0.00 C ATOM 603 C MET A 41 13.836 2.012 13.989 1.00 0.00 C ATOM 604 O MET A 41 14.812 1.738 14.680 1.00 0.00 O ATOM 605 CB MET A 41 12.646 0.474 12.391 1.00 0.00 C ATOM 606 CG MET A 41 11.836 -0.813 12.212 1.00 0.00 C ATOM 607 SD MET A 41 10.066 -0.722 12.581 1.00 0.00 S ATOM 608 CE MET A 41 9.577 -2.236 11.735 1.00 0.00 C ATOM 0 H MET A 41 10.888 1.966 13.363 1.00 0.00 H new ATOM 0 HA MET A 41 12.848 0.180 14.521 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.230 1.244 11.741 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.668 0.294 12.058 1.00 0.00 H new ATOM 0 HG2 MET A 41 11.951 -1.146 11.181 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.276 -1.582 12.846 1.00 0.00 H new ATOM 0 HE1 MET A 41 8.490 -2.280 11.667 1.00 0.00 H new ATOM 0 HE2 MET A 41 10.004 -2.247 10.732 1.00 0.00 H new ATOM 0 HE3 MET A 41 9.941 -3.099 12.293 1.00 0.00 H new ATOM 618 N VAL A 42 13.714 3.183 13.360 1.00 0.00 N ATOM 619 CA VAL A 42 14.791 4.176 13.236 1.00 0.00 C ATOM 620 C VAL A 42 15.039 4.927 14.558 1.00 0.00 C ATOM 621 O VAL A 42 16.191 5.137 14.938 1.00 0.00 O ATOM 622 CB VAL A 42 14.491 5.167 12.086 1.00 0.00 C ATOM 623 CG1 VAL A 42 15.551 6.277 12.014 1.00 0.00 C ATOM 624 CG2 VAL A 42 14.456 4.438 10.727 1.00 0.00 C ATOM 0 H VAL A 42 12.846 3.477 12.912 1.00 0.00 H new ATOM 0 HA VAL A 42 15.707 3.635 12.998 1.00 0.00 H new ATOM 0 HB VAL A 42 13.517 5.609 12.295 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.311 6.956 11.196 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.563 6.830 12.953 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.531 5.833 11.842 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.243 5.156 9.935 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.422 3.968 10.541 1.00 0.00 H new ATOM 0 HG23 VAL A 42 13.678 3.675 10.744 1.00 0.00 H new ATOM 634 N GLY A 43 13.975 5.316 15.280 1.00 0.00 N ATOM 635 CA GLY A 43 14.080 6.144 16.488 1.00 0.00 C ATOM 636 C GLY A 43 14.550 5.363 17.716 1.00 0.00 C ATOM 637 O GLY A 43 15.345 5.880 18.503 1.00 0.00 O ATOM 0 H GLY A 43 13.016 5.063 15.040 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.774 6.963 16.300 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.109 6.591 16.700 1.00 0.00 H new ATOM 641 N GLU A 44 14.112 4.110 17.864 1.00 0.00 N ATOM 642 CA GLU A 44 14.456 3.277 19.029 1.00 0.00 C ATOM 643 C GLU A 44 15.859 2.652 18.923 1.00 0.00 C ATOM 644 O GLU A 44 16.438 2.286 19.947 1.00 0.00 O ATOM 645 CB GLU A 44 13.392 2.192 19.256 1.00 0.00 C ATOM 646 CG GLU A 44 11.972 2.754 19.462 1.00 0.00 C ATOM 647 CD GLU A 44 11.882 3.731 20.641 1.00 0.00 C ATOM 648 OE1 GLU A 44 12.027 3.297 21.808 1.00 0.00 O ATOM 649 OE2 GLU A 44 11.650 4.941 20.407 1.00 0.00 O ATOM 0 H GLU A 44 13.511 3.642 17.185 1.00 0.00 H new ATOM 0 HA GLU A 44 14.474 3.941 19.894 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.386 1.516 18.401 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.669 1.600 20.128 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.652 3.261 18.552 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.280 1.928 19.627 1.00 0.00 H new ATOM 656 N LEU A 45 16.437 2.575 17.716 1.00 0.00 N ATOM 657 CA LEU A 45 17.816 2.123 17.492 1.00 0.00 C ATOM 658 C LEU A 45 18.841 3.045 18.167 1.00 0.00 C ATOM 659 O LEU A 45 19.881 2.577 18.639 1.00 0.00 O ATOM 660 CB LEU A 45 18.033 2.038 15.972 1.00 0.00 C ATOM 661 CG LEU A 45 19.418 1.534 15.524 1.00 0.00 C ATOM 662 CD1 LEU A 45 19.662 0.079 15.947 1.00 0.00 C ATOM 663 CD2 LEU A 45 19.506 1.665 13.997 1.00 0.00 C ATOM 0 H LEU A 45 15.952 2.829 16.856 1.00 0.00 H new ATOM 0 HA LEU A 45 17.966 1.144 17.947 1.00 0.00 H new ATOM 0 HB2 LEU A 45 17.273 1.380 15.551 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.870 3.027 15.544 1.00 0.00 H new ATOM 0 HG LEU A 45 20.187 2.137 16.006 1.00 0.00 H new ATOM 0 HD11 LEU A 45 20.650 -0.237 15.611 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.606 0.001 17.033 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.904 -0.563 15.498 1.00 0.00 H new ATOM 0 HD21 LEU A 45 20.480 1.313 13.657 1.00 0.00 H new ATOM 0 HD22 LEU A 45 18.722 1.065 13.535 1.00 0.00 H new ATOM 0 HD23 LEU A 45 19.378 2.710 13.713 1.00 0.00 H new ATOM 675 N ILE A 46 18.545 4.347 18.255 1.00 0.00 N ATOM 676 CA ILE A 46 19.404 5.354 18.903 1.00 0.00 C ATOM 677 C ILE A 46 19.683 4.988 20.365 1.00 0.00 C ATOM 678 O ILE A 46 20.840 4.999 20.782 1.00 0.00 O ATOM 679 CB ILE A 46 18.764 6.759 18.782 1.00 0.00 C ATOM 680 CG1 ILE A 46 18.430 7.168 17.328 1.00 0.00 C ATOM 681 CG2 ILE A 46 19.663 7.830 19.438 1.00 0.00 C ATOM 682 CD1 ILE A 46 19.622 7.198 16.364 1.00 0.00 C ATOM 0 H ILE A 46 17.686 4.741 17.871 1.00 0.00 H new ATOM 0 HA ILE A 46 20.365 5.372 18.388 1.00 0.00 H new ATOM 0 HB ILE A 46 17.815 6.697 19.314 1.00 0.00 H new ATOM 0 HG12 ILE A 46 17.684 6.476 16.936 1.00 0.00 H new ATOM 0 HG13 ILE A 46 17.971 8.157 17.343 1.00 0.00 H new ATOM 0 HG21 ILE A 46 19.193 8.809 19.341 1.00 0.00 H new ATOM 0 HG22 ILE A 46 19.797 7.595 20.494 1.00 0.00 H new ATOM 0 HG23 ILE A 46 20.634 7.843 18.943 1.00 0.00 H new ATOM 0 HD11 ILE A 46 19.281 7.496 15.373 1.00 0.00 H new ATOM 0 HD12 ILE A 46 20.362 7.913 16.723 1.00 0.00 H new ATOM 0 HD13 ILE A 46 20.071 6.206 16.310 1.00 0.00 H new ATOM 694 N ALA A 47 18.646 4.610 21.122 1.00 0.00 N ATOM 695 CA ALA A 47 18.739 4.262 22.542 1.00 0.00 C ATOM 696 C ALA A 47 19.631 3.036 22.806 1.00 0.00 C ATOM 697 O ALA A 47 20.314 2.992 23.832 1.00 0.00 O ATOM 698 CB ALA A 47 17.312 4.044 23.072 1.00 0.00 C ATOM 0 H ALA A 47 17.698 4.536 20.754 1.00 0.00 H new ATOM 0 HA ALA A 47 19.221 5.083 23.073 1.00 0.00 H new ATOM 0 HB1 ALA A 47 17.353 3.783 24.130 1.00 0.00 H new ATOM 0 HB2 ALA A 47 16.733 4.959 22.946 1.00 0.00 H new ATOM 0 HB3 ALA A 47 16.837 3.235 22.517 1.00 0.00 H new ATOM 704 N PHE A 48 19.649 2.064 21.886 1.00 0.00 N ATOM 705 CA PHE A 48 20.551 0.912 21.939 1.00 0.00 C ATOM 706 C PHE A 48 22.011 1.352 21.734 1.00 0.00 C ATOM 707 O PHE A 48 22.875 1.015 22.544 1.00 0.00 O ATOM 708 CB PHE A 48 20.091 -0.118 20.889 1.00 0.00 C ATOM 709 CG PHE A 48 20.889 -1.411 20.786 1.00 0.00 C ATOM 710 CD1 PHE A 48 21.551 -1.979 21.895 1.00 0.00 C ATOM 711 CD2 PHE A 48 20.903 -2.099 19.555 1.00 0.00 C ATOM 712 CE1 PHE A 48 22.212 -3.220 21.777 1.00 0.00 C ATOM 713 CE2 PHE A 48 21.560 -3.336 19.436 1.00 0.00 C ATOM 714 CZ PHE A 48 22.217 -3.898 20.543 1.00 0.00 C ATOM 0 H PHE A 48 19.030 2.057 21.075 1.00 0.00 H new ATOM 0 HA PHE A 48 20.511 0.444 22.923 1.00 0.00 H new ATOM 0 HB2 PHE A 48 19.054 -0.377 21.102 1.00 0.00 H new ATOM 0 HB3 PHE A 48 20.105 0.366 19.912 1.00 0.00 H new ATOM 0 HD1 PHE A 48 21.552 -1.460 22.842 1.00 0.00 H new ATOM 0 HD2 PHE A 48 20.405 -1.672 18.697 1.00 0.00 H new ATOM 0 HE1 PHE A 48 22.713 -3.649 22.632 1.00 0.00 H new ATOM 0 HE2 PHE A 48 21.560 -3.856 18.490 1.00 0.00 H new ATOM 0 HZ PHE A 48 22.724 -4.847 20.448 1.00 0.00 H new ATOM 724 N CYS A 49 22.277 2.140 20.685 1.00 0.00 N ATOM 725 CA CYS A 49 23.616 2.632 20.348 1.00 0.00 C ATOM 726 C CYS A 49 24.218 3.553 21.428 1.00 0.00 C ATOM 727 O CYS A 49 25.412 3.432 21.717 1.00 0.00 O ATOM 728 CB CYS A 49 23.550 3.333 18.984 1.00 0.00 C ATOM 729 SG CYS A 49 23.212 2.100 17.689 1.00 0.00 S ATOM 0 H CYS A 49 21.556 2.458 20.037 1.00 0.00 H new ATOM 0 HA CYS A 49 24.290 1.777 20.298 1.00 0.00 H new ATOM 0 HB2 CYS A 49 22.769 4.093 18.991 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.491 3.844 18.779 1.00 0.00 H new ATOM 0 HG CYS A 49 23.153 2.691 16.532 1.00 0.00 H new ATOM 735 N THR A 50 23.426 4.438 22.061 1.00 0.00 N ATOM 736 CA THR A 50 23.904 5.325 23.142 1.00 0.00 C ATOM 737 C THR A 50 24.193 4.572 24.433 1.00 0.00 C ATOM 738 O THR A 50 25.254 4.765 25.029 1.00 0.00 O ATOM 739 CB THR A 50 22.915 6.469 23.413 1.00 0.00 C ATOM 740 OG1 THR A 50 21.621 5.961 23.646 1.00 0.00 O ATOM 741 CG2 THR A 50 22.862 7.472 22.259 1.00 0.00 C ATOM 0 H THR A 50 22.438 4.560 21.839 1.00 0.00 H new ATOM 0 HA THR A 50 24.844 5.748 22.788 1.00 0.00 H new ATOM 0 HB THR A 50 23.273 6.990 24.301 1.00 0.00 H new ATOM 0 HG1 THR A 50 21.193 5.751 22.790 1.00 0.00 H new ATOM 0 HG21 THR A 50 22.150 8.262 22.496 1.00 0.00 H new ATOM 0 HG22 THR A 50 23.850 7.907 22.109 1.00 0.00 H new ATOM 0 HG23 THR A 50 22.548 6.962 21.348 1.00 0.00 H new ATOM 749 N SER A 51 23.292 3.686 24.846 1.00 0.00 N ATOM 750 CA SER A 51 23.437 2.906 26.092 1.00 0.00 C ATOM 751 C SER A 51 24.636 1.937 26.071 1.00 0.00 C ATOM 752 O SER A 51 25.257 1.706 27.115 1.00 0.00 O ATOM 753 CB SER A 51 22.161 2.102 26.393 1.00 0.00 C ATOM 754 OG SER A 51 21.029 2.943 26.575 1.00 0.00 O ATOM 0 H SER A 51 22.435 3.481 24.332 1.00 0.00 H new ATOM 0 HA SER A 51 23.615 3.644 26.875 1.00 0.00 H new ATOM 0 HB2 SER A 51 21.969 1.408 25.575 1.00 0.00 H new ATOM 0 HB3 SER A 51 22.314 1.502 27.290 1.00 0.00 H new ATOM 0 HG SER A 51 20.591 3.093 25.711 1.00 0.00 H new ATOM 760 N THR A 52 24.984 1.390 24.893 1.00 0.00 N ATOM 761 CA THR A 52 26.158 0.511 24.693 1.00 0.00 C ATOM 762 C THR A 52 27.425 1.278 24.311 1.00 0.00 C ATOM 763 O THR A 52 28.530 0.819 24.605 1.00 0.00 O ATOM 764 CB THR A 52 25.878 -0.575 23.648 1.00 0.00 C ATOM 765 OG1 THR A 52 25.503 0.001 22.418 1.00 0.00 O ATOM 766 CG2 THR A 52 24.789 -1.547 24.095 1.00 0.00 C ATOM 0 H THR A 52 24.451 1.546 24.037 1.00 0.00 H new ATOM 0 HA THR A 52 26.337 0.041 25.660 1.00 0.00 H new ATOM 0 HB THR A 52 26.806 -1.135 23.530 1.00 0.00 H new ATOM 0 HG1 THR A 52 24.582 0.331 22.478 1.00 0.00 H new ATOM 0 HG21 THR A 52 24.629 -2.296 23.319 1.00 0.00 H new ATOM 0 HG22 THR A 52 25.097 -2.040 25.017 1.00 0.00 H new ATOM 0 HG23 THR A 52 23.862 -1.000 24.268 1.00 0.00 H new ATOM 774 N HIS A 53 27.273 2.448 23.685 1.00 0.00 N ATOM 775 CA HIS A 53 28.335 3.409 23.334 1.00 0.00 C ATOM 776 C HIS A 53 29.234 2.904 22.171 1.00 0.00 C ATOM 777 O HIS A 53 30.438 3.174 22.107 1.00 0.00 O ATOM 778 CB HIS A 53 29.092 3.846 24.601 1.00 0.00 C ATOM 779 CG HIS A 53 29.745 5.202 24.482 1.00 0.00 C ATOM 780 ND1 HIS A 53 30.907 5.496 23.804 1.00 0.00 N ATOM 781 CD2 HIS A 53 29.286 6.380 25.012 1.00 0.00 C ATOM 782 CE1 HIS A 53 31.149 6.812 23.927 1.00 0.00 C ATOM 783 NE2 HIS A 53 30.185 7.401 24.664 1.00 0.00 N ATOM 0 H HIS A 53 26.353 2.774 23.390 1.00 0.00 H new ATOM 0 HA HIS A 53 27.879 4.311 22.926 1.00 0.00 H new ATOM 0 HB2 HIS A 53 28.398 3.860 25.441 1.00 0.00 H new ATOM 0 HB3 HIS A 53 29.856 3.104 24.831 1.00 0.00 H new ATOM 0 HD1 HIS A 53 31.486 4.828 23.295 1.00 0.00 H new ATOM 0 HD2 HIS A 53 28.387 6.502 25.597 1.00 0.00 H new ATOM 0 HE1 HIS A 53 31.996 7.326 23.496 1.00 0.00 H new ATOM 791 N LYS A 54 28.661 2.135 21.243 1.00 0.00 N ATOM 792 CA LYS A 54 29.357 1.573 20.073 1.00 0.00 C ATOM 793 C LYS A 54 29.820 2.645 19.062 1.00 0.00 C ATOM 794 O LYS A 54 29.237 3.731 18.962 1.00 0.00 O ATOM 795 CB LYS A 54 28.441 0.521 19.413 1.00 0.00 C ATOM 796 CG LYS A 54 28.224 -0.685 20.334 1.00 0.00 C ATOM 797 CD LYS A 54 27.196 -1.664 19.759 1.00 0.00 C ATOM 798 CE LYS A 54 26.860 -2.716 20.822 1.00 0.00 C ATOM 799 NZ LYS A 54 25.837 -3.685 20.346 1.00 0.00 N ATOM 0 H LYS A 54 27.675 1.877 21.281 1.00 0.00 H new ATOM 0 HA LYS A 54 30.276 1.100 20.418 1.00 0.00 H new ATOM 0 HB2 LYS A 54 27.480 0.974 19.171 1.00 0.00 H new ATOM 0 HB3 LYS A 54 28.883 0.189 18.474 1.00 0.00 H new ATOM 0 HG2 LYS A 54 29.172 -1.201 20.486 1.00 0.00 H new ATOM 0 HG3 LYS A 54 27.889 -0.339 21.312 1.00 0.00 H new ATOM 0 HD2 LYS A 54 26.294 -1.130 19.459 1.00 0.00 H new ATOM 0 HD3 LYS A 54 27.593 -2.145 18.865 1.00 0.00 H new ATOM 0 HE2 LYS A 54 27.767 -3.254 21.099 1.00 0.00 H new ATOM 0 HE3 LYS A 54 26.497 -2.219 21.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 25.640 -4.378 21.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 24.962 -3.176 20.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 26.193 -4.179 19.503 1.00 0.00 H new ATOM 813 N VAL A 55 30.866 2.333 18.284 1.00 0.00 N ATOM 814 CA VAL A 55 31.546 3.287 17.368 1.00 0.00 C ATOM 815 C VAL A 55 30.775 3.575 16.065 1.00 0.00 C ATOM 816 O VAL A 55 31.178 4.447 15.293 1.00 0.00 O ATOM 817 CB VAL A 55 33.000 2.856 17.032 1.00 0.00 C ATOM 818 CG1 VAL A 55 33.867 2.768 18.299 1.00 0.00 C ATOM 819 CG2 VAL A 55 33.067 1.522 16.259 1.00 0.00 C ATOM 0 H VAL A 55 31.277 1.400 18.266 1.00 0.00 H new ATOM 0 HA VAL A 55 31.573 4.218 17.935 1.00 0.00 H new ATOM 0 HB VAL A 55 33.397 3.634 16.380 1.00 0.00 H new ATOM 0 HG11 VAL A 55 34.878 2.464 18.028 1.00 0.00 H new ATOM 0 HG12 VAL A 55 33.900 3.743 18.786 1.00 0.00 H new ATOM 0 HG13 VAL A 55 33.439 2.035 18.983 1.00 0.00 H new ATOM 0 HG21 VAL A 55 34.108 1.273 16.053 1.00 0.00 H new ATOM 0 HG22 VAL A 55 32.617 0.731 16.859 1.00 0.00 H new ATOM 0 HG23 VAL A 55 32.524 1.619 15.319 1.00 0.00 H new ATOM 829 N GLY A 56 29.674 2.856 15.817 1.00 0.00 N ATOM 830 CA GLY A 56 28.839 2.967 14.618 1.00 0.00 C ATOM 831 C GLY A 56 27.802 1.848 14.514 1.00 0.00 C ATOM 832 O GLY A 56 27.521 1.156 15.493 1.00 0.00 O ATOM 0 H GLY A 56 29.328 2.155 16.472 1.00 0.00 H new ATOM 0 HA2 GLY A 56 28.329 3.930 14.624 1.00 0.00 H new ATOM 0 HA3 GLY A 56 29.476 2.949 13.734 1.00 0.00 H new ATOM 836 N LEU A 57 27.242 1.672 13.312 1.00 0.00 N ATOM 837 CA LEU A 57 26.284 0.607 12.974 1.00 0.00 C ATOM 838 C LEU A 57 26.897 -0.408 11.994 1.00 0.00 C ATOM 839 O LEU A 57 27.596 -0.029 11.046 1.00 0.00 O ATOM 840 CB LEU A 57 25.005 1.244 12.395 1.00 0.00 C ATOM 841 CG LEU A 57 24.065 1.786 13.489 1.00 0.00 C ATOM 842 CD1 LEU A 57 23.054 2.766 12.885 1.00 0.00 C ATOM 843 CD2 LEU A 57 23.289 0.651 14.170 1.00 0.00 C ATOM 0 H LEU A 57 27.447 2.284 12.522 1.00 0.00 H new ATOM 0 HA LEU A 57 26.030 0.056 13.879 1.00 0.00 H new ATOM 0 HB2 LEU A 57 25.281 2.057 11.723 1.00 0.00 H new ATOM 0 HB3 LEU A 57 24.473 0.503 11.798 1.00 0.00 H new ATOM 0 HG LEU A 57 24.687 2.292 14.228 1.00 0.00 H new ATOM 0 HD11 LEU A 57 22.397 3.140 13.670 1.00 0.00 H new ATOM 0 HD12 LEU A 57 23.585 3.601 12.427 1.00 0.00 H new ATOM 0 HD13 LEU A 57 22.460 2.255 12.127 1.00 0.00 H new ATOM 0 HD21 LEU A 57 22.635 1.066 14.937 1.00 0.00 H new ATOM 0 HD22 LEU A 57 22.689 0.124 13.428 1.00 0.00 H new ATOM 0 HD23 LEU A 57 23.991 -0.045 14.630 1.00 0.00 H new ATOM 855 N THR A 58 26.606 -1.691 12.226 1.00 0.00 N ATOM 856 CA THR A 58 27.051 -2.874 11.463 1.00 0.00 C ATOM 857 C THR A 58 25.946 -3.922 11.491 1.00 0.00 C ATOM 858 O THR A 58 25.068 -3.879 12.352 1.00 0.00 O ATOM 859 CB THR A 58 28.347 -3.476 12.035 1.00 0.00 C ATOM 860 OG1 THR A 58 28.133 -3.858 13.372 1.00 0.00 O ATOM 861 CG2 THR A 58 29.528 -2.510 11.996 1.00 0.00 C ATOM 0 H THR A 58 26.009 -1.956 13.009 1.00 0.00 H new ATOM 0 HA THR A 58 27.260 -2.561 10.440 1.00 0.00 H new ATOM 0 HB THR A 58 28.597 -4.331 11.407 1.00 0.00 H new ATOM 0 HG1 THR A 58 28.956 -4.243 13.738 1.00 0.00 H new ATOM 0 HG21 THR A 58 30.410 -2.996 12.414 1.00 0.00 H new ATOM 0 HG22 THR A 58 29.728 -2.221 10.964 1.00 0.00 H new ATOM 0 HG23 THR A 58 29.291 -1.622 12.582 1.00 0.00 H new ATOM 869 N SER A 59 25.995 -4.896 10.585 1.00 0.00 N ATOM 870 CA SER A 59 24.942 -5.911 10.409 1.00 0.00 C ATOM 871 C SER A 59 24.608 -6.706 11.684 1.00 0.00 C ATOM 872 O SER A 59 23.459 -7.096 11.882 1.00 0.00 O ATOM 873 CB SER A 59 25.364 -6.897 9.306 1.00 0.00 C ATOM 874 OG SER A 59 25.742 -6.213 8.112 1.00 0.00 O ATOM 0 H SER A 59 26.776 -5.010 9.939 1.00 0.00 H new ATOM 0 HA SER A 59 24.039 -5.363 10.139 1.00 0.00 H new ATOM 0 HB2 SER A 59 26.198 -7.504 9.658 1.00 0.00 H new ATOM 0 HB3 SER A 59 24.541 -7.579 9.091 1.00 0.00 H new ATOM 0 HG SER A 59 26.006 -6.866 7.431 1.00 0.00 H new ATOM 880 N GLU A 60 25.583 -6.908 12.572 1.00 0.00 N ATOM 881 CA GLU A 60 25.407 -7.572 13.872 1.00 0.00 C ATOM 882 C GLU A 60 24.549 -6.745 14.844 1.00 0.00 C ATOM 883 O GLU A 60 23.797 -7.301 15.649 1.00 0.00 O ATOM 884 CB GLU A 60 26.781 -7.832 14.515 1.00 0.00 C ATOM 885 CG GLU A 60 27.634 -8.829 13.723 1.00 0.00 C ATOM 886 CD GLU A 60 28.964 -9.109 14.449 1.00 0.00 C ATOM 887 OE1 GLU A 60 29.026 -10.044 15.282 1.00 0.00 O ATOM 888 OE2 GLU A 60 29.969 -8.404 14.189 1.00 0.00 O ATOM 0 H GLU A 60 26.544 -6.608 12.406 1.00 0.00 H new ATOM 0 HA GLU A 60 24.887 -8.511 13.682 1.00 0.00 H new ATOM 0 HB2 GLU A 60 27.320 -6.889 14.601 1.00 0.00 H new ATOM 0 HB3 GLU A 60 26.637 -8.210 15.527 1.00 0.00 H new ATOM 0 HG2 GLU A 60 27.084 -9.761 13.591 1.00 0.00 H new ATOM 0 HG3 GLU A 60 27.834 -8.433 12.728 1.00 0.00 H new ATOM 895 N ILE A 61 24.626 -5.414 14.771 1.00 0.00 N ATOM 896 CA ILE A 61 23.873 -4.492 15.645 1.00 0.00 C ATOM 897 C ILE A 61 22.416 -4.420 15.186 1.00 0.00 C ATOM 898 O ILE A 61 21.517 -4.467 16.025 1.00 0.00 O ATOM 899 CB ILE A 61 24.566 -3.104 15.692 1.00 0.00 C ATOM 900 CG1 ILE A 61 26.013 -3.249 16.234 1.00 0.00 C ATOM 901 CG2 ILE A 61 23.765 -2.121 16.566 1.00 0.00 C ATOM 902 CD1 ILE A 61 26.865 -1.982 16.107 1.00 0.00 C ATOM 0 H ILE A 61 25.220 -4.933 14.095 1.00 0.00 H new ATOM 0 HA ILE A 61 23.869 -4.868 16.668 1.00 0.00 H new ATOM 0 HB ILE A 61 24.605 -2.705 14.679 1.00 0.00 H new ATOM 0 HG12 ILE A 61 25.968 -3.538 17.284 1.00 0.00 H new ATOM 0 HG13 ILE A 61 26.508 -4.061 15.701 1.00 0.00 H new ATOM 0 HG21 ILE A 61 24.270 -1.155 16.584 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.764 -1.999 16.153 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.693 -2.512 17.581 1.00 0.00 H new ATOM 0 HD11 ILE A 61 27.860 -2.171 16.509 1.00 0.00 H new ATOM 0 HD12 ILE A 61 26.945 -1.701 15.057 1.00 0.00 H new ATOM 0 HD13 ILE A 61 26.396 -1.171 16.664 1.00 0.00 H new ATOM 914 N LEU A 62 22.157 -4.383 13.874 1.00 0.00 N ATOM 915 CA LEU A 62 20.791 -4.428 13.334 1.00 0.00 C ATOM 916 C LEU A 62 20.154 -5.820 13.474 1.00 0.00 C ATOM 917 O LEU A 62 18.940 -5.908 13.665 1.00 0.00 O ATOM 918 CB LEU A 62 20.773 -3.945 11.873 1.00 0.00 C ATOM 919 CG LEU A 62 21.081 -2.459 11.597 1.00 0.00 C ATOM 920 CD1 LEU A 62 20.332 -1.528 12.559 1.00 0.00 C ATOM 921 CD2 LEU A 62 22.572 -2.118 11.617 1.00 0.00 C ATOM 0 H LEU A 62 22.882 -4.321 13.160 1.00 0.00 H new ATOM 0 HA LEU A 62 20.181 -3.748 13.929 1.00 0.00 H new ATOM 0 HB2 LEU A 62 21.492 -4.544 11.314 1.00 0.00 H new ATOM 0 HB3 LEU A 62 19.788 -4.164 11.461 1.00 0.00 H new ATOM 0 HG LEU A 62 20.725 -2.293 10.580 1.00 0.00 H new ATOM 0 HD11 LEU A 62 20.579 -0.492 12.328 1.00 0.00 H new ATOM 0 HD12 LEU A 62 19.258 -1.679 12.449 1.00 0.00 H new ATOM 0 HD13 LEU A 62 20.626 -1.751 13.584 1.00 0.00 H new ATOM 0 HD21 LEU A 62 22.705 -1.055 11.414 1.00 0.00 H new ATOM 0 HD22 LEU A 62 22.986 -2.355 12.597 1.00 0.00 H new ATOM 0 HD23 LEU A 62 23.089 -2.700 10.854 1.00 0.00 H new ATOM 933 N ASN A 63 20.947 -6.896 13.452 1.00 0.00 N ATOM 934 CA ASN A 63 20.495 -8.239 13.834 1.00 0.00 C ATOM 935 C ASN A 63 20.108 -8.293 15.324 1.00 0.00 C ATOM 936 O ASN A 63 19.036 -8.788 15.671 1.00 0.00 O ATOM 937 CB ASN A 63 21.608 -9.241 13.489 1.00 0.00 C ATOM 938 CG ASN A 63 21.222 -10.670 13.849 1.00 0.00 C ATOM 939 OD1 ASN A 63 20.630 -11.390 13.051 1.00 0.00 O ATOM 940 ND2 ASN A 63 21.545 -11.128 15.045 1.00 0.00 N ATOM 0 H ASN A 63 21.926 -6.860 13.167 1.00 0.00 H new ATOM 0 HA ASN A 63 19.595 -8.502 13.278 1.00 0.00 H new ATOM 0 HB2 ASN A 63 21.830 -9.183 12.423 1.00 0.00 H new ATOM 0 HB3 ASN A 63 22.520 -8.967 14.020 1.00 0.00 H new ATOM 0 HD21 ASN A 63 21.302 -12.083 15.308 1.00 0.00 H new ATOM 0 HD22 ASN A 63 22.037 -10.527 15.706 1.00 0.00 H new ATOM 947 N SER A 64 20.933 -7.733 16.211 1.00 0.00 N ATOM 948 CA SER A 64 20.647 -7.652 17.655 1.00 0.00 C ATOM 949 C SER A 64 19.419 -6.778 17.977 1.00 0.00 C ATOM 950 O SER A 64 18.639 -7.115 18.871 1.00 0.00 O ATOM 951 CB SER A 64 21.871 -7.113 18.411 1.00 0.00 C ATOM 952 OG SER A 64 22.990 -7.988 18.296 1.00 0.00 O ATOM 0 H SER A 64 21.828 -7.318 15.951 1.00 0.00 H new ATOM 0 HA SER A 64 20.419 -8.666 17.982 1.00 0.00 H new ATOM 0 HB2 SER A 64 22.136 -6.130 18.021 1.00 0.00 H new ATOM 0 HB3 SER A 64 21.619 -6.981 19.463 1.00 0.00 H new ATOM 0 HG SER A 64 23.391 -7.891 17.407 1.00 0.00 H new ATOM 958 N PHE A 65 19.187 -5.700 17.214 1.00 0.00 N ATOM 959 CA PHE A 65 18.058 -4.780 17.394 1.00 0.00 C ATOM 960 C PHE A 65 16.678 -5.452 17.298 1.00 0.00 C ATOM 961 O PHE A 65 15.745 -5.023 17.977 1.00 0.00 O ATOM 962 CB PHE A 65 18.194 -3.617 16.397 1.00 0.00 C ATOM 963 CG PHE A 65 17.045 -2.624 16.458 1.00 0.00 C ATOM 964 CD1 PHE A 65 16.875 -1.806 17.592 1.00 0.00 C ATOM 965 CD2 PHE A 65 16.109 -2.570 15.406 1.00 0.00 C ATOM 966 CE1 PHE A 65 15.776 -0.933 17.666 1.00 0.00 C ATOM 967 CE2 PHE A 65 15.007 -1.703 15.488 1.00 0.00 C ATOM 968 CZ PHE A 65 14.837 -0.879 16.620 1.00 0.00 C ATOM 0 H PHE A 65 19.794 -5.439 16.437 1.00 0.00 H new ATOM 0 HA PHE A 65 18.106 -4.403 18.416 1.00 0.00 H new ATOM 0 HB2 PHE A 65 19.128 -3.091 16.591 1.00 0.00 H new ATOM 0 HB3 PHE A 65 18.260 -4.021 15.387 1.00 0.00 H new ATOM 0 HD1 PHE A 65 17.587 -1.850 18.403 1.00 0.00 H new ATOM 0 HD2 PHE A 65 16.239 -3.196 14.536 1.00 0.00 H new ATOM 0 HE1 PHE A 65 15.652 -0.299 18.532 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.288 -1.667 14.683 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.991 -0.211 16.683 1.00 0.00 H new ATOM 978 N GLU A 66 16.555 -6.551 16.543 1.00 0.00 N ATOM 979 CA GLU A 66 15.335 -7.372 16.500 1.00 0.00 C ATOM 980 C GLU A 66 14.922 -7.881 17.893 1.00 0.00 C ATOM 981 O GLU A 66 13.739 -7.890 18.234 1.00 0.00 O ATOM 982 CB GLU A 66 15.531 -8.577 15.562 1.00 0.00 C ATOM 983 CG GLU A 66 15.729 -8.169 14.099 1.00 0.00 C ATOM 984 CD GLU A 66 15.933 -9.393 13.197 1.00 0.00 C ATOM 985 OE1 GLU A 66 14.978 -10.185 13.010 1.00 0.00 O ATOM 986 OE2 GLU A 66 17.046 -9.551 12.639 1.00 0.00 O ATOM 0 H GLU A 66 17.302 -6.899 15.941 1.00 0.00 H new ATOM 0 HA GLU A 66 14.539 -6.730 16.124 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.396 -9.152 15.894 1.00 0.00 H new ATOM 0 HB3 GLU A 66 14.664 -9.234 15.636 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.862 -7.604 13.757 1.00 0.00 H new ATOM 0 HG3 GLU A 66 16.592 -7.508 14.018 1.00 0.00 H new ATOM 993 N HIS A 67 15.902 -8.261 18.721 1.00 0.00 N ATOM 994 CA HIS A 67 15.700 -8.744 20.090 1.00 0.00 C ATOM 995 C HIS A 67 15.698 -7.601 21.135 1.00 0.00 C ATOM 996 O HIS A 67 15.296 -7.804 22.285 1.00 0.00 O ATOM 997 CB HIS A 67 16.794 -9.773 20.402 1.00 0.00 C ATOM 998 CG HIS A 67 16.802 -10.947 19.451 1.00 0.00 C ATOM 999 ND1 HIS A 67 15.966 -12.038 19.506 1.00 0.00 N ATOM 1000 CD2 HIS A 67 17.617 -11.120 18.362 1.00 0.00 C ATOM 1001 CE1 HIS A 67 16.270 -12.849 18.479 1.00 0.00 C ATOM 1002 NE2 HIS A 67 17.275 -12.332 17.744 1.00 0.00 N ATOM 0 H HIS A 67 16.885 -8.240 18.449 1.00 0.00 H new ATOM 0 HA HIS A 67 14.714 -9.204 20.155 1.00 0.00 H new ATOM 0 HB2 HIS A 67 17.766 -9.281 20.368 1.00 0.00 H new ATOM 0 HB3 HIS A 67 16.658 -10.140 21.419 1.00 0.00 H new ATOM 0 HD2 HIS A 67 18.390 -10.440 18.036 1.00 0.00 H new ATOM 0 HE1 HIS A 67 15.777 -13.787 18.271 1.00 0.00 H new ATOM 0 HE2 HIS A 67 17.699 -12.738 16.910 1.00 0.00 H new ATOM 1010 N GLU A 68 16.149 -6.401 20.750 1.00 0.00 N ATOM 1011 CA GLU A 68 16.258 -5.228 21.622 1.00 0.00 C ATOM 1012 C GLU A 68 14.975 -4.380 21.651 1.00 0.00 C ATOM 1013 O GLU A 68 14.765 -3.638 22.614 1.00 0.00 O ATOM 1014 CB GLU A 68 17.478 -4.393 21.186 1.00 0.00 C ATOM 1015 CG GLU A 68 17.999 -3.417 22.247 1.00 0.00 C ATOM 1016 CD GLU A 68 18.413 -4.132 23.545 1.00 0.00 C ATOM 1017 OE1 GLU A 68 19.472 -4.805 23.571 1.00 0.00 O ATOM 1018 OE2 GLU A 68 17.682 -4.023 24.558 1.00 0.00 O ATOM 0 H GLU A 68 16.457 -6.215 19.795 1.00 0.00 H new ATOM 0 HA GLU A 68 16.397 -5.577 22.645 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.285 -5.071 20.909 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.214 -3.829 20.291 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.854 -2.871 21.847 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.227 -2.681 22.471 1.00 0.00 H new ATOM 1025 N PHE A 69 14.092 -4.498 20.644 1.00 0.00 N ATOM 1026 CA PHE A 69 12.812 -3.776 20.606 1.00 0.00 C ATOM 1027 C PHE A 69 11.683 -4.480 19.836 1.00 0.00 C ATOM 1028 O PHE A 69 10.557 -4.510 20.332 1.00 0.00 O ATOM 1029 CB PHE A 69 13.031 -2.350 20.061 1.00 0.00 C ATOM 1030 CG PHE A 69 11.756 -1.525 20.034 1.00 0.00 C ATOM 1031 CD1 PHE A 69 11.058 -1.266 21.231 1.00 0.00 C ATOM 1032 CD2 PHE A 69 11.236 -1.059 18.811 1.00 0.00 C ATOM 1033 CE1 PHE A 69 9.843 -0.559 21.200 1.00 0.00 C ATOM 1034 CE2 PHE A 69 10.010 -0.377 18.780 1.00 0.00 C ATOM 1035 CZ PHE A 69 9.312 -0.129 19.973 1.00 0.00 C ATOM 0 H PHE A 69 14.248 -5.098 19.834 1.00 0.00 H new ATOM 0 HA PHE A 69 12.465 -3.746 21.639 1.00 0.00 H new ATOM 0 HB2 PHE A 69 13.774 -1.842 20.676 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.440 -2.411 19.052 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.457 -1.611 22.173 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.782 -1.227 17.895 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.318 -0.347 22.120 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.603 -0.042 17.837 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.367 0.393 19.947 1.00 0.00 H new ATOM 1045 N LEU A 70 11.944 -5.048 18.649 1.00 0.00 N ATOM 1046 CA LEU A 70 10.866 -5.592 17.803 1.00 0.00 C ATOM 1047 C LEU A 70 10.182 -6.827 18.408 1.00 0.00 C ATOM 1048 O LEU A 70 8.959 -6.945 18.325 1.00 0.00 O ATOM 1049 CB LEU A 70 11.389 -5.884 16.378 1.00 0.00 C ATOM 1050 CG LEU A 70 11.257 -4.738 15.353 1.00 0.00 C ATOM 1051 CD1 LEU A 70 9.793 -4.346 15.117 1.00 0.00 C ATOM 1052 CD2 LEU A 70 12.072 -3.505 15.756 1.00 0.00 C ATOM 0 H LEU A 70 12.880 -5.143 18.255 1.00 0.00 H new ATOM 0 HA LEU A 70 10.096 -4.822 17.746 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.441 -6.159 16.450 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.858 -6.753 15.990 1.00 0.00 H new ATOM 0 HG LEU A 70 11.664 -5.122 14.418 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.746 -3.536 14.389 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.242 -5.207 14.738 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.349 -4.016 16.056 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.948 -2.725 15.005 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.723 -3.138 16.721 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.126 -3.774 15.830 1.00 0.00 H new ATOM 1064 N SER A 71 10.927 -7.715 19.069 1.00 0.00 N ATOM 1065 CA SER A 71 10.336 -8.826 19.836 1.00 0.00 C ATOM 1066 C SER A 71 9.626 -8.375 21.132 1.00 0.00 C ATOM 1067 O SER A 71 8.787 -9.107 21.663 1.00 0.00 O ATOM 1068 CB SER A 71 11.419 -9.874 20.145 1.00 0.00 C ATOM 1069 OG SER A 71 12.424 -9.377 21.023 1.00 0.00 O ATOM 0 H SER A 71 11.946 -7.690 19.092 1.00 0.00 H new ATOM 0 HA SER A 71 9.559 -9.265 19.211 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.953 -10.752 20.591 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.883 -10.198 19.213 1.00 0.00 H new ATOM 0 HG SER A 71 12.996 -10.116 21.318 1.00 0.00 H new ATOM 1075 N LYS A 72 9.931 -7.173 21.648 1.00 0.00 N ATOM 1076 CA LYS A 72 9.361 -6.624 22.896 1.00 0.00 C ATOM 1077 C LYS A 72 8.034 -5.871 22.685 1.00 0.00 C ATOM 1078 O LYS A 72 7.203 -5.839 23.601 1.00 0.00 O ATOM 1079 CB LYS A 72 10.376 -5.683 23.565 1.00 0.00 C ATOM 1080 CG LYS A 72 11.735 -6.331 23.873 1.00 0.00 C ATOM 1081 CD LYS A 72 12.626 -5.335 24.623 1.00 0.00 C ATOM 1082 CE LYS A 72 14.033 -5.909 24.836 1.00 0.00 C ATOM 1083 NZ LYS A 72 14.976 -4.850 25.263 1.00 0.00 N ATOM 0 H LYS A 72 10.595 -6.540 21.202 1.00 0.00 H new ATOM 0 HA LYS A 72 9.145 -7.479 23.536 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.537 -4.822 22.917 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.947 -5.307 24.494 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.592 -7.229 24.474 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.219 -6.640 22.947 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.691 -4.404 24.060 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.178 -5.094 25.587 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.999 -6.696 25.589 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.387 -6.366 23.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.884 -5.281 25.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.127 -4.183 24.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.580 -4.341 26.079 1.00 0.00 H new