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 53 HIS : no HD1:sc= 0.319 K(o=1.8,f=-0.77) USER MOD Set 1.2: A 54 LYS NZ :NH3+ -176:sc= 1.48 (180deg=0.985) USER MOD Set 2.1: A 26 LYS NZ :NH3+ -144:sc= 1.37 (180deg=1.05) USER MOD Set 2.2: A 63 ASN : amide:sc= 0.0854 K(o=1.5,f=-2.2!) USER MOD Single : A 4 SER OG : rot 37:sc= 0.0877 USER MOD Single : A 6 GLN : amide:sc=-0.00828 X(o=-0.0083,f=-0.0083) USER MOD Single : A 7 GLN : amide:sc= 0.591 K(o=0.59,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 CYS SG : rot 21:sc= 0.0368 USER MOD Single : A 31 CYS SG : rot 70:sc= 0.574 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0.0537 K(o=0.054,f=-5.6!) USER MOD Single : A 37 ASN : amide:sc= 0.624 K(o=0.62,f=-3.6!) USER MOD Single : A 41 MET CE :methyl 161:sc= -0.255 (180deg=-0.569) USER MOD Single : A 49 CYS SG : rot 80:sc= 0.233 USER MOD Single : A 50 THR OG1 : rot 77:sc= 0.894 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -78:sc= 0.122 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 64 SER OG : rot 78:sc= 0.8 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 USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 0.601 (180deg=0.549) USER MOD ----------------------------------------------------------------- ATOM 39 N SER A 4 8.962 1.328 0.805 1.00 0.00 N ATOM 40 CA SER A 4 10.001 1.893 -0.071 1.00 0.00 C ATOM 41 C SER A 4 11.167 2.544 0.703 1.00 0.00 C ATOM 42 O SER A 4 10.962 3.423 1.545 1.00 0.00 O ATOM 43 CB SER A 4 9.372 2.910 -1.031 1.00 0.00 C ATOM 44 OG SER A 4 8.338 2.308 -1.799 1.00 0.00 O ATOM 0 HA SER A 4 10.429 1.061 -0.630 1.00 0.00 H new ATOM 0 HB2 SER A 4 8.969 3.750 -0.465 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.137 3.311 -1.695 1.00 0.00 H new ATOM 0 HG SER A 4 7.847 1.669 -1.242 1.00 0.00 H new ATOM 50 N ALA A 5 12.408 2.139 0.397 1.00 0.00 N ATOM 51 CA ALA A 5 13.616 2.470 1.164 1.00 0.00 C ATOM 52 C ALA A 5 13.900 3.977 1.292 1.00 0.00 C ATOM 53 O ALA A 5 14.468 4.416 2.295 1.00 0.00 O ATOM 54 CB ALA A 5 14.793 1.732 0.506 1.00 0.00 C ATOM 0 H ALA A 5 12.604 1.555 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 5 13.464 2.145 2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 5 15.711 1.954 1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 5 14.608 0.658 0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 5 14.896 2.060 -0.528 1.00 0.00 H new ATOM 60 N GLN A 6 13.469 4.776 0.314 1.00 0.00 N ATOM 61 CA GLN A 6 13.585 6.243 0.312 1.00 0.00 C ATOM 62 C GLN A 6 12.843 6.903 1.490 1.00 0.00 C ATOM 63 O GLN A 6 13.262 7.966 1.955 1.00 0.00 O ATOM 64 CB GLN A 6 13.033 6.797 -1.020 1.00 0.00 C ATOM 65 CG GLN A 6 13.815 6.352 -2.271 1.00 0.00 C ATOM 66 CD GLN A 6 15.248 6.891 -2.300 1.00 0.00 C ATOM 67 OE1 GLN A 6 16.204 6.209 -1.951 1.00 0.00 O ATOM 68 NE2 GLN A 6 15.457 8.135 -2.690 1.00 0.00 N ATOM 0 H GLN A 6 13.016 4.414 -0.525 1.00 0.00 H new ATOM 0 HA GLN A 6 14.642 6.485 0.423 1.00 0.00 H new ATOM 0 HB2 GLN A 6 11.994 6.484 -1.126 1.00 0.00 H new ATOM 0 HB3 GLN A 6 13.035 7.886 -0.974 1.00 0.00 H new ATOM 0 HG2 GLN A 6 13.841 5.263 -2.309 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.287 6.690 -3.163 1.00 0.00 H new ATOM 0 HE21 GLN A 6 14.672 8.716 -2.984 1.00 0.00 H new ATOM 0 HE22 GLN A 6 16.404 8.515 -2.698 1.00 0.00 H new ATOM 77 N GLN A 7 11.779 6.273 2.009 1.00 0.00 N ATOM 78 CA GLN A 7 11.019 6.778 3.156 1.00 0.00 C ATOM 79 C GLN A 7 11.825 6.639 4.460 1.00 0.00 C ATOM 80 O GLN A 7 11.802 7.540 5.304 1.00 0.00 O ATOM 81 CB GLN A 7 9.699 5.997 3.285 1.00 0.00 C ATOM 82 CG GLN A 7 8.775 6.116 2.061 1.00 0.00 C ATOM 83 CD GLN A 7 7.466 5.318 2.176 1.00 0.00 C ATOM 84 OE1 GLN A 7 6.629 5.352 1.280 1.00 0.00 O ATOM 85 NE2 GLN A 7 7.197 4.577 3.236 1.00 0.00 N ATOM 0 H GLN A 7 11.421 5.392 1.640 1.00 0.00 H new ATOM 0 HA GLN A 7 10.812 7.835 2.990 1.00 0.00 H new ATOM 0 HB2 GLN A 7 9.927 4.945 3.453 1.00 0.00 H new ATOM 0 HB3 GLN A 7 9.164 6.352 4.166 1.00 0.00 H new ATOM 0 HG2 GLN A 7 8.533 7.167 1.904 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.316 5.778 1.177 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.867 4.522 4.003 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.319 4.060 3.287 1.00 0.00 H new ATOM 94 N LEU A 8 12.541 5.522 4.626 1.00 0.00 N ATOM 95 CA LEU A 8 13.333 5.220 5.820 1.00 0.00 C ATOM 96 C LEU A 8 14.653 6.002 5.795 1.00 0.00 C ATOM 97 O LEU A 8 15.003 6.659 6.776 1.00 0.00 O ATOM 98 CB LEU A 8 13.517 3.688 5.876 1.00 0.00 C ATOM 99 CG LEU A 8 13.918 3.145 7.264 1.00 0.00 C ATOM 100 CD1 LEU A 8 13.492 1.678 7.395 1.00 0.00 C ATOM 101 CD2 LEU A 8 15.423 3.249 7.560 1.00 0.00 C ATOM 0 H LEU A 8 12.586 4.788 3.919 1.00 0.00 H new ATOM 0 HA LEU A 8 12.830 5.537 6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.587 3.211 5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.279 3.399 5.152 1.00 0.00 H new ATOM 0 HG LEU A 8 13.402 3.773 7.990 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.779 1.302 8.377 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.411 1.601 7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.983 1.086 6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.627 2.848 8.553 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.980 2.679 6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.730 4.294 7.521 1.00 0.00 H new ATOM 113 N ALA A 9 15.357 5.985 4.657 1.00 0.00 N ATOM 114 CA ALA A 9 16.666 6.616 4.459 1.00 0.00 C ATOM 115 C ALA A 9 16.690 8.115 4.813 1.00 0.00 C ATOM 116 O ALA A 9 17.667 8.603 5.383 1.00 0.00 O ATOM 117 CB ALA A 9 17.064 6.397 2.995 1.00 0.00 C ATOM 0 H ALA A 9 15.018 5.514 3.818 1.00 0.00 H new ATOM 0 HA ALA A 9 17.379 6.154 5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.036 6.854 2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.121 5.328 2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.319 6.853 2.343 1.00 0.00 H new ATOM 123 N GLU A 10 15.614 8.839 4.486 1.00 0.00 N ATOM 124 CA GLU A 10 15.499 10.278 4.733 1.00 0.00 C ATOM 125 C GLU A 10 15.359 10.619 6.235 1.00 0.00 C ATOM 126 O GLU A 10 15.840 11.668 6.669 1.00 0.00 O ATOM 127 CB GLU A 10 14.316 10.820 3.911 1.00 0.00 C ATOM 128 CG GLU A 10 14.249 12.352 3.903 1.00 0.00 C ATOM 129 CD GLU A 10 13.183 12.854 2.920 1.00 0.00 C ATOM 130 OE1 GLU A 10 12.003 13.012 3.323 1.00 0.00 O ATOM 131 OE2 GLU A 10 13.513 13.116 1.739 1.00 0.00 O ATOM 0 H GLU A 10 14.791 8.437 4.038 1.00 0.00 H new ATOM 0 HA GLU A 10 16.422 10.763 4.416 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.397 10.459 2.886 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.386 10.422 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.023 12.714 4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.222 12.760 3.629 1.00 0.00 H new ATOM 138 N GLU A 11 14.751 9.739 7.044 1.00 0.00 N ATOM 139 CA GLU A 11 14.543 9.980 8.479 1.00 0.00 C ATOM 140 C GLU A 11 15.845 9.874 9.291 1.00 0.00 C ATOM 141 O GLU A 11 16.022 10.609 10.262 1.00 0.00 O ATOM 142 CB GLU A 11 13.506 8.996 9.042 1.00 0.00 C ATOM 143 CG GLU A 11 12.100 9.171 8.453 1.00 0.00 C ATOM 144 CD GLU A 11 11.466 10.520 8.825 1.00 0.00 C ATOM 145 OE1 GLU A 11 11.088 10.708 10.005 1.00 0.00 O ATOM 146 OE2 GLU A 11 11.320 11.391 7.935 1.00 0.00 O ATOM 0 H GLU A 11 14.390 8.841 6.722 1.00 0.00 H new ATOM 0 HA GLU A 11 14.177 11.002 8.575 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.845 7.978 8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.454 9.118 10.124 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.152 9.085 7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.459 8.363 8.806 1.00 0.00 H new ATOM 153 N LEU A 12 16.778 8.994 8.886 1.00 0.00 N ATOM 154 CA LEU A 12 18.046 8.730 9.578 1.00 0.00 C ATOM 155 C LEU A 12 18.825 10.022 9.878 1.00 0.00 C ATOM 156 O LEU A 12 19.244 10.238 11.016 1.00 0.00 O ATOM 157 CB LEU A 12 18.907 7.782 8.711 1.00 0.00 C ATOM 158 CG LEU A 12 18.332 6.372 8.461 1.00 0.00 C ATOM 159 CD1 LEU A 12 19.299 5.594 7.557 1.00 0.00 C ATOM 160 CD2 LEU A 12 18.120 5.581 9.762 1.00 0.00 C ATOM 0 H LEU A 12 16.664 8.432 8.043 1.00 0.00 H new ATOM 0 HA LEU A 12 17.817 8.264 10.537 1.00 0.00 H new ATOM 0 HB2 LEU A 12 19.074 8.259 7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 12 19.882 7.674 9.187 1.00 0.00 H new ATOM 0 HG LEU A 12 17.357 6.493 7.988 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.902 4.595 7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 12 19.412 6.119 6.609 1.00 0.00 H new ATOM 0 HD13 LEU A 12 20.270 5.514 8.046 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.714 4.597 9.527 1.00 0.00 H new ATOM 0 HD22 LEU A 12 19.073 5.467 10.278 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.422 6.118 10.404 1.00 0.00 H new ATOM 172 N GLN A 13 18.990 10.885 8.871 1.00 0.00 N ATOM 173 CA GLN A 13 19.810 12.094 8.961 1.00 0.00 C ATOM 174 C GLN A 13 19.217 13.160 9.904 1.00 0.00 C ATOM 175 O GLN A 13 19.961 13.981 10.441 1.00 0.00 O ATOM 176 CB GLN A 13 20.032 12.628 7.531 1.00 0.00 C ATOM 177 CG GLN A 13 21.072 13.759 7.461 1.00 0.00 C ATOM 178 CD GLN A 13 21.414 14.154 6.022 1.00 0.00 C ATOM 179 OE1 GLN A 13 20.962 15.169 5.505 1.00 0.00 O ATOM 180 NE2 GLN A 13 22.205 13.373 5.310 1.00 0.00 N ATOM 0 H GLN A 13 18.551 10.761 7.959 1.00 0.00 H new ATOM 0 HA GLN A 13 20.769 11.841 9.412 1.00 0.00 H new ATOM 0 HB2 GLN A 13 20.353 11.807 6.890 1.00 0.00 H new ATOM 0 HB3 GLN A 13 19.084 12.990 7.134 1.00 0.00 H new ATOM 0 HG2 GLN A 13 20.692 14.631 7.993 1.00 0.00 H new ATOM 0 HG3 GLN A 13 21.981 13.444 7.974 1.00 0.00 H new ATOM 0 HE21 GLN A 13 22.590 12.524 5.724 1.00 0.00 H new ATOM 0 HE22 GLN A 13 22.431 13.618 4.346 1.00 0.00 H new ATOM 189 N ILE A 14 17.900 13.133 10.168 1.00 0.00 N ATOM 190 CA ILE A 14 17.232 14.049 11.117 1.00 0.00 C ATOM 191 C ILE A 14 17.706 13.763 12.553 1.00 0.00 C ATOM 192 O ILE A 14 17.924 14.688 13.342 1.00 0.00 O ATOM 193 CB ILE A 14 15.688 13.925 10.991 1.00 0.00 C ATOM 194 CG1 ILE A 14 15.225 14.142 9.530 1.00 0.00 C ATOM 195 CG2 ILE A 14 14.990 14.933 11.927 1.00 0.00 C ATOM 196 CD1 ILE A 14 13.711 13.981 9.308 1.00 0.00 C ATOM 0 H ILE A 14 17.261 12.471 9.727 1.00 0.00 H new ATOM 0 HA ILE A 14 17.503 15.076 10.873 1.00 0.00 H new ATOM 0 HB ILE A 14 15.408 12.914 11.287 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.521 15.142 9.213 1.00 0.00 H new ATOM 0 HG13 ILE A 14 15.750 13.436 8.887 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.909 14.834 11.827 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.279 14.732 12.959 1.00 0.00 H new ATOM 0 HG23 ILE A 14 15.288 15.946 11.657 1.00 0.00 H new ATOM 0 HD11 ILE A 14 13.477 14.151 8.257 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.407 12.973 9.589 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.174 14.706 9.920 1.00 0.00 H new ATOM 208 N PHE A 15 17.911 12.482 12.876 1.00 0.00 N ATOM 209 CA PHE A 15 18.400 12.003 14.169 1.00 0.00 C ATOM 210 C PHE A 15 19.935 11.890 14.239 1.00 0.00 C ATOM 211 O PHE A 15 20.469 11.532 15.294 1.00 0.00 O ATOM 212 CB PHE A 15 17.733 10.648 14.449 1.00 0.00 C ATOM 213 CG PHE A 15 16.213 10.699 14.472 1.00 0.00 C ATOM 214 CD1 PHE A 15 15.540 11.365 15.514 1.00 0.00 C ATOM 215 CD2 PHE A 15 15.472 10.081 13.449 1.00 0.00 C ATOM 216 CE1 PHE A 15 14.137 11.420 15.523 1.00 0.00 C ATOM 217 CE2 PHE A 15 14.066 10.135 13.462 1.00 0.00 C ATOM 218 CZ PHE A 15 13.396 10.807 14.498 1.00 0.00 C ATOM 0 H PHE A 15 17.734 11.723 12.218 1.00 0.00 H new ATOM 0 HA PHE A 15 18.135 12.734 14.933 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.051 9.934 13.689 1.00 0.00 H new ATOM 0 HB3 PHE A 15 18.088 10.271 15.408 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.103 11.834 16.307 1.00 0.00 H new ATOM 0 HD2 PHE A 15 15.984 9.563 12.651 1.00 0.00 H new ATOM 0 HE1 PHE A 15 13.625 11.936 16.322 1.00 0.00 H new ATOM 0 HE2 PHE A 15 13.501 9.659 12.674 1.00 0.00 H new ATOM 0 HZ PHE A 15 12.317 10.852 14.507 1.00 0.00 H new ATOM 228 N GLY A 16 20.649 12.156 13.139 1.00 0.00 N ATOM 229 CA GLY A 16 22.112 12.034 13.043 1.00 0.00 C ATOM 230 C GLY A 16 22.617 10.612 12.766 1.00 0.00 C ATOM 231 O GLY A 16 23.819 10.366 12.874 1.00 0.00 O ATOM 0 H GLY A 16 20.217 12.469 12.270 1.00 0.00 H new ATOM 0 HA2 GLY A 16 22.467 12.693 12.250 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.555 12.388 13.974 1.00 0.00 H new ATOM 235 N LEU A 17 21.724 9.681 12.411 1.00 0.00 N ATOM 236 CA LEU A 17 22.062 8.331 11.952 1.00 0.00 C ATOM 237 C LEU A 17 22.492 8.357 10.471 1.00 0.00 C ATOM 238 O LEU A 17 22.177 9.287 9.726 1.00 0.00 O ATOM 239 CB LEU A 17 20.864 7.371 12.136 1.00 0.00 C ATOM 240 CG LEU A 17 20.263 7.289 13.554 1.00 0.00 C ATOM 241 CD1 LEU A 17 19.079 6.314 13.534 1.00 0.00 C ATOM 242 CD2 LEU A 17 21.288 6.827 14.605 1.00 0.00 C ATOM 0 H LEU A 17 20.719 9.852 12.436 1.00 0.00 H new ATOM 0 HA LEU A 17 22.893 7.968 12.556 1.00 0.00 H new ATOM 0 HB2 LEU A 17 20.075 7.673 11.447 1.00 0.00 H new ATOM 0 HB3 LEU A 17 21.179 6.370 11.840 1.00 0.00 H new ATOM 0 HG LEU A 17 19.941 8.291 13.837 1.00 0.00 H new ATOM 0 HD11 LEU A 17 18.645 6.248 14.532 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.324 6.672 12.834 1.00 0.00 H new ATOM 0 HD13 LEU A 17 19.425 5.328 13.222 1.00 0.00 H new ATOM 0 HD21 LEU A 17 20.812 6.787 15.585 1.00 0.00 H new ATOM 0 HD22 LEU A 17 21.659 5.837 14.341 1.00 0.00 H new ATOM 0 HD23 LEU A 17 22.121 7.530 14.635 1.00 0.00 H new ATOM 254 N ASP A 18 23.152 7.286 10.033 1.00 0.00 N ATOM 255 CA ASP A 18 23.499 7.034 8.631 1.00 0.00 C ATOM 256 C ASP A 18 23.735 5.532 8.377 1.00 0.00 C ATOM 257 O ASP A 18 24.328 4.832 9.201 1.00 0.00 O ATOM 258 CB ASP A 18 24.704 7.881 8.176 1.00 0.00 C ATOM 259 CG ASP A 18 26.043 7.444 8.799 1.00 0.00 C ATOM 260 OD1 ASP A 18 26.344 7.847 9.945 1.00 0.00 O ATOM 261 OD2 ASP A 18 26.824 6.743 8.111 1.00 0.00 O ATOM 0 H ASP A 18 23.470 6.547 10.660 1.00 0.00 H new ATOM 0 HA ASP A 18 22.647 7.343 8.025 1.00 0.00 H new ATOM 0 HB2 ASP A 18 24.785 7.827 7.090 1.00 0.00 H new ATOM 0 HB3 ASP A 18 24.519 8.925 8.431 1.00 0.00 H new ATOM 266 N CYS A 19 23.265 5.059 7.219 1.00 0.00 N ATOM 267 CA CYS A 19 23.344 3.674 6.751 1.00 0.00 C ATOM 268 C CYS A 19 23.579 3.630 5.230 1.00 0.00 C ATOM 269 O CYS A 19 23.126 4.520 4.500 1.00 0.00 O ATOM 270 CB CYS A 19 22.019 2.958 7.079 1.00 0.00 C ATOM 271 SG CYS A 19 21.914 2.481 8.831 1.00 0.00 S ATOM 0 H CYS A 19 22.794 5.665 6.548 1.00 0.00 H new ATOM 0 HA CYS A 19 24.177 3.178 7.250 1.00 0.00 H new ATOM 0 HB2 CYS A 19 21.183 3.612 6.831 1.00 0.00 H new ATOM 0 HB3 CYS A 19 21.924 2.069 6.455 1.00 0.00 H new ATOM 0 HG CYS A 19 22.746 3.198 9.527 1.00 0.00 H new ATOM 277 N GLU A 20 24.238 2.571 4.751 1.00 0.00 N ATOM 278 CA GLU A 20 24.230 2.196 3.331 1.00 0.00 C ATOM 279 C GLU A 20 22.910 1.506 2.947 1.00 0.00 C ATOM 280 O GLU A 20 22.171 1.033 3.817 1.00 0.00 O ATOM 281 CB GLU A 20 25.445 1.315 2.983 1.00 0.00 C ATOM 282 CG GLU A 20 25.536 -0.013 3.743 1.00 0.00 C ATOM 283 CD GLU A 20 26.805 -0.776 3.330 1.00 0.00 C ATOM 284 OE1 GLU A 20 26.817 -1.381 2.233 1.00 0.00 O ATOM 285 OE2 GLU A 20 27.794 -0.776 4.100 1.00 0.00 O ATOM 0 H GLU A 20 24.794 1.947 5.337 1.00 0.00 H new ATOM 0 HA GLU A 20 24.307 3.111 2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 20 25.423 1.101 1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 20 26.353 1.886 3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 20 25.549 0.174 4.817 1.00 0.00 H new ATOM 0 HG3 GLU A 20 24.655 -0.620 3.536 1.00 0.00 H new ATOM 292 N GLU A 21 22.635 1.395 1.644 1.00 0.00 N ATOM 293 CA GLU A 21 21.419 0.758 1.122 1.00 0.00 C ATOM 294 C GLU A 21 21.238 -0.675 1.657 1.00 0.00 C ATOM 295 O GLU A 21 20.123 -1.067 2.004 1.00 0.00 O ATOM 296 CB GLU A 21 21.453 0.786 -0.410 1.00 0.00 C ATOM 297 CG GLU A 21 20.137 0.320 -1.045 1.00 0.00 C ATOM 298 CD GLU A 21 20.170 0.494 -2.568 1.00 0.00 C ATOM 299 OE1 GLU A 21 20.673 -0.412 -3.279 1.00 0.00 O ATOM 300 OE2 GLU A 21 19.699 1.543 -3.073 1.00 0.00 O ATOM 0 H GLU A 21 23.255 1.747 0.914 1.00 0.00 H new ATOM 0 HA GLU A 21 20.555 1.322 1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 21 21.673 1.800 -0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 21 22.265 0.150 -0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 21 19.961 -0.727 -0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 21 19.306 0.889 -0.628 1.00 0.00 H new ATOM 307 N ALA A 22 22.327 -1.433 1.823 1.00 0.00 N ATOM 308 CA ALA A 22 22.283 -2.801 2.349 1.00 0.00 C ATOM 309 C ALA A 22 21.874 -2.872 3.834 1.00 0.00 C ATOM 310 O ALA A 22 21.304 -3.880 4.260 1.00 0.00 O ATOM 311 CB ALA A 22 23.645 -3.457 2.107 1.00 0.00 C ATOM 0 H ALA A 22 23.268 -1.113 1.595 1.00 0.00 H new ATOM 0 HA ALA A 22 21.504 -3.347 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 22 23.631 -4.477 2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.855 -3.476 1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 22 24.420 -2.886 2.619 1.00 0.00 H new ATOM 317 N LEU A 23 22.117 -1.813 4.617 1.00 0.00 N ATOM 318 CA LEU A 23 21.646 -1.694 6.001 1.00 0.00 C ATOM 319 C LEU A 23 20.250 -1.054 6.077 1.00 0.00 C ATOM 320 O LEU A 23 19.457 -1.456 6.920 1.00 0.00 O ATOM 321 CB LEU A 23 22.670 -0.914 6.845 1.00 0.00 C ATOM 322 CG LEU A 23 24.028 -1.619 7.047 1.00 0.00 C ATOM 323 CD1 LEU A 23 24.922 -0.753 7.952 1.00 0.00 C ATOM 324 CD2 LEU A 23 23.884 -3.018 7.666 1.00 0.00 C ATOM 0 H LEU A 23 22.653 -1.005 4.302 1.00 0.00 H new ATOM 0 HA LEU A 23 21.552 -2.699 6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 23 22.847 0.052 6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 23 22.233 -0.714 7.824 1.00 0.00 H new ATOM 0 HG LEU A 23 24.478 -1.744 6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.882 -1.249 8.097 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.082 0.218 7.484 1.00 0.00 H new ATOM 0 HD13 LEU A 23 24.436 -0.614 8.918 1.00 0.00 H new ATOM 0 HD21 LEU A 23 24.870 -3.466 7.785 1.00 0.00 H new ATOM 0 HD22 LEU A 23 23.402 -2.937 8.640 1.00 0.00 H new ATOM 0 HD23 LEU A 23 23.277 -3.644 7.012 1.00 0.00 H new ATOM 336 N ILE A 24 19.887 -0.150 5.164 1.00 0.00 N ATOM 337 CA ILE A 24 18.499 0.345 5.034 1.00 0.00 C ATOM 338 C ILE A 24 17.546 -0.821 4.713 1.00 0.00 C ATOM 339 O ILE A 24 16.499 -0.958 5.353 1.00 0.00 O ATOM 340 CB ILE A 24 18.449 1.501 4.004 1.00 0.00 C ATOM 341 CG1 ILE A 24 19.203 2.738 4.552 1.00 0.00 C ATOM 342 CG2 ILE A 24 17.001 1.889 3.655 1.00 0.00 C ATOM 343 CD1 ILE A 24 19.675 3.708 3.464 1.00 0.00 C ATOM 0 H ILE A 24 20.536 0.262 4.494 1.00 0.00 H new ATOM 0 HA ILE A 24 18.153 0.761 5.980 1.00 0.00 H new ATOM 0 HB ILE A 24 18.934 1.151 3.093 1.00 0.00 H new ATOM 0 HG12 ILE A 24 18.551 3.272 5.244 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.067 2.401 5.124 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.007 2.703 2.930 1.00 0.00 H new ATOM 0 HG22 ILE A 24 16.486 1.028 3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 24 16.483 2.212 4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.194 4.548 3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.353 3.191 2.785 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.814 4.076 2.906 1.00 0.00 H new ATOM 355 N GLU A 25 17.942 -1.708 3.796 1.00 0.00 N ATOM 356 CA GLU A 25 17.225 -2.948 3.486 1.00 0.00 C ATOM 357 C GLU A 25 17.006 -3.819 4.738 1.00 0.00 C ATOM 358 O GLU A 25 15.939 -4.419 4.878 1.00 0.00 O ATOM 359 CB GLU A 25 17.950 -3.754 2.396 1.00 0.00 C ATOM 360 CG GLU A 25 17.697 -3.179 0.998 1.00 0.00 C ATOM 361 CD GLU A 25 18.346 -4.059 -0.080 1.00 0.00 C ATOM 362 OE1 GLU A 25 19.592 -4.067 -0.208 1.00 0.00 O ATOM 363 OE2 GLU A 25 17.611 -4.760 -0.818 1.00 0.00 O ATOM 0 H GLU A 25 18.786 -1.582 3.238 1.00 0.00 H new ATOM 0 HA GLU A 25 16.245 -2.657 3.109 1.00 0.00 H new ATOM 0 HB2 GLU A 25 19.021 -3.758 2.599 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.616 -4.791 2.428 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.624 -3.108 0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 25 18.098 -2.167 0.938 1.00 0.00 H new ATOM 370 N LYS A 26 17.962 -3.871 5.674 1.00 0.00 N ATOM 371 CA LYS A 26 17.815 -4.628 6.925 1.00 0.00 C ATOM 372 C LYS A 26 16.679 -4.079 7.807 1.00 0.00 C ATOM 373 O LYS A 26 15.931 -4.877 8.374 1.00 0.00 O ATOM 374 CB LYS A 26 19.178 -4.725 7.648 1.00 0.00 C ATOM 375 CG LYS A 26 19.152 -5.477 8.994 1.00 0.00 C ATOM 376 CD LYS A 26 18.726 -6.948 8.894 1.00 0.00 C ATOM 377 CE LYS A 26 18.613 -7.524 10.309 1.00 0.00 C ATOM 378 NZ LYS A 26 18.365 -8.985 10.290 1.00 0.00 N ATOM 0 H LYS A 26 18.858 -3.391 5.586 1.00 0.00 H new ATOM 0 HA LYS A 26 17.508 -5.646 6.687 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.888 -5.221 6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.553 -3.716 7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 26 20.145 -5.429 9.442 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.472 -4.960 9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.771 -7.030 8.375 1.00 0.00 H new ATOM 0 HD3 LYS A 26 19.454 -7.514 8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.531 -7.318 10.860 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.803 -7.025 10.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.729 -9.239 11.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.925 -9.251 9.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.267 -9.492 10.398 1.00 0.00 H new ATOM 392 N LEU A 27 16.484 -2.755 7.895 1.00 0.00 N ATOM 393 CA LEU A 27 15.347 -2.163 8.620 1.00 0.00 C ATOM 394 C LEU A 27 14.053 -2.238 7.799 1.00 0.00 C ATOM 395 O LEU A 27 12.999 -2.511 8.373 1.00 0.00 O ATOM 396 CB LEU A 27 15.630 -0.710 9.054 1.00 0.00 C ATOM 397 CG LEU A 27 16.704 -0.459 10.135 1.00 0.00 C ATOM 398 CD1 LEU A 27 16.532 -1.348 11.379 1.00 0.00 C ATOM 399 CD2 LEU A 27 18.126 -0.589 9.578 1.00 0.00 C ATOM 0 H LEU A 27 17.105 -2.067 7.469 1.00 0.00 H new ATOM 0 HA LEU A 27 15.211 -2.758 9.523 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.917 -0.149 8.165 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.693 -0.283 9.412 1.00 0.00 H new ATOM 0 HG LEU A 27 16.553 0.572 10.454 1.00 0.00 H new ATOM 0 HD11 LEU A 27 17.318 -1.122 12.099 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.559 -1.156 11.832 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.597 -2.397 11.089 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.847 -0.404 10.374 1.00 0.00 H new ATOM 0 HD22 LEU A 27 18.272 -1.594 9.183 1.00 0.00 H new ATOM 0 HD23 LEU A 27 18.272 0.139 8.780 1.00 0.00 H new ATOM 411 N VAL A 28 14.113 -2.071 6.473 1.00 0.00 N ATOM 412 CA VAL A 28 12.957 -2.270 5.573 1.00 0.00 C ATOM 413 C VAL A 28 12.390 -3.694 5.689 1.00 0.00 C ATOM 414 O VAL A 28 11.171 -3.866 5.727 1.00 0.00 O ATOM 415 CB VAL A 28 13.322 -1.921 4.110 1.00 0.00 C ATOM 416 CG1 VAL A 28 12.305 -2.446 3.085 1.00 0.00 C ATOM 417 CG2 VAL A 28 13.447 -0.402 3.924 1.00 0.00 C ATOM 0 H VAL A 28 14.965 -1.793 5.986 1.00 0.00 H new ATOM 0 HA VAL A 28 12.171 -1.584 5.889 1.00 0.00 H new ATOM 0 HB VAL A 28 14.276 -2.414 3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.623 -2.166 2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.244 -3.532 3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.326 -2.013 3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.704 -0.182 2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.498 0.074 4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.228 -0.018 4.581 1.00 0.00 H new ATOM 427 N GLU A 29 13.248 -4.714 5.818 1.00 0.00 N ATOM 428 CA GLU A 29 12.822 -6.094 6.052 1.00 0.00 C ATOM 429 C GLU A 29 11.965 -6.207 7.330 1.00 0.00 C ATOM 430 O GLU A 29 10.896 -6.821 7.289 1.00 0.00 O ATOM 431 CB GLU A 29 14.056 -7.014 6.119 1.00 0.00 C ATOM 432 CG GLU A 29 13.710 -8.512 6.123 1.00 0.00 C ATOM 433 CD GLU A 29 13.149 -8.990 4.776 1.00 0.00 C ATOM 434 OE1 GLU A 29 13.929 -9.115 3.801 1.00 0.00 O ATOM 435 OE2 GLU A 29 11.930 -9.270 4.681 1.00 0.00 O ATOM 0 H GLU A 29 14.260 -4.602 5.762 1.00 0.00 H new ATOM 0 HA GLU A 29 12.195 -6.413 5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.703 -6.802 5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.625 -6.779 7.018 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.604 -9.087 6.365 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.980 -8.711 6.908 1.00 0.00 H new ATOM 442 N LEU A 30 12.350 -5.549 8.433 1.00 0.00 N ATOM 443 CA LEU A 30 11.531 -5.512 9.655 1.00 0.00 C ATOM 444 C LEU A 30 10.182 -4.829 9.402 1.00 0.00 C ATOM 445 O LEU A 30 9.154 -5.344 9.830 1.00 0.00 O ATOM 446 CB LEU A 30 12.278 -4.809 10.810 1.00 0.00 C ATOM 447 CG LEU A 30 13.700 -5.314 11.109 1.00 0.00 C ATOM 448 CD1 LEU A 30 14.290 -4.540 12.299 1.00 0.00 C ATOM 449 CD2 LEU A 30 13.744 -6.823 11.383 1.00 0.00 C ATOM 0 H LEU A 30 13.227 -5.033 8.505 1.00 0.00 H new ATOM 0 HA LEU A 30 11.342 -6.545 9.947 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.334 -3.744 10.584 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.681 -4.911 11.716 1.00 0.00 H new ATOM 0 HG LEU A 30 14.302 -5.136 10.218 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.297 -4.902 12.506 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.329 -3.478 12.059 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.663 -4.690 13.178 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.771 -7.126 11.588 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.118 -7.055 12.245 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.374 -7.362 10.511 1.00 0.00 H new ATOM 461 N CYS A 31 10.153 -3.718 8.660 1.00 0.00 N ATOM 462 CA CYS A 31 8.922 -3.002 8.309 1.00 0.00 C ATOM 463 C CYS A 31 7.928 -3.886 7.527 1.00 0.00 C ATOM 464 O CYS A 31 6.717 -3.770 7.718 1.00 0.00 O ATOM 465 CB CYS A 31 9.274 -1.720 7.531 1.00 0.00 C ATOM 466 SG CYS A 31 10.364 -0.636 8.503 1.00 0.00 S ATOM 0 H CYS A 31 10.995 -3.285 8.281 1.00 0.00 H new ATOM 0 HA CYS A 31 8.415 -2.728 9.234 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.762 -1.984 6.593 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.360 -1.185 7.275 1.00 0.00 H new ATOM 0 HG CYS A 31 11.539 -1.183 8.607 1.00 0.00 H new ATOM 472 N VAL A 32 8.435 -4.796 6.686 1.00 0.00 N ATOM 473 CA VAL A 32 7.633 -5.780 5.937 1.00 0.00 C ATOM 474 C VAL A 32 7.195 -6.956 6.832 1.00 0.00 C ATOM 475 O VAL A 32 6.023 -7.334 6.792 1.00 0.00 O ATOM 476 CB VAL A 32 8.400 -6.287 4.689 1.00 0.00 C ATOM 477 CG1 VAL A 32 7.661 -7.418 3.950 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.621 -5.138 3.691 1.00 0.00 C ATOM 0 H VAL A 32 9.435 -4.873 6.501 1.00 0.00 H new ATOM 0 HA VAL A 32 6.729 -5.274 5.597 1.00 0.00 H new ATOM 0 HB VAL A 32 9.349 -6.675 5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.247 -7.731 3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.526 -8.265 4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.687 -7.060 3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.161 -5.511 2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.657 -4.739 3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.202 -4.349 4.168 1.00 0.00 H new ATOM 488 N GLN A 33 8.094 -7.523 7.648 1.00 0.00 N ATOM 489 CA GLN A 33 7.817 -8.702 8.482 1.00 0.00 C ATOM 490 C GLN A 33 6.911 -8.406 9.685 1.00 0.00 C ATOM 491 O GLN A 33 6.095 -9.253 10.063 1.00 0.00 O ATOM 492 CB GLN A 33 9.146 -9.303 8.973 1.00 0.00 C ATOM 493 CG GLN A 33 9.932 -10.007 7.852 1.00 0.00 C ATOM 494 CD GLN A 33 11.285 -10.570 8.314 1.00 0.00 C ATOM 495 OE1 GLN A 33 11.794 -10.298 9.400 1.00 0.00 O ATOM 496 NE2 GLN A 33 11.925 -11.404 7.516 1.00 0.00 N ATOM 0 H GLN A 33 9.046 -7.172 7.749 1.00 0.00 H new ATOM 0 HA GLN A 33 7.276 -9.410 7.854 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.762 -8.512 9.400 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.944 -10.016 9.772 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.327 -10.820 7.450 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.100 -9.302 7.038 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.527 -11.648 6.609 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.817 -11.804 7.806 1.00 0.00 H new ATOM 505 N TYR A 34 7.032 -7.226 10.295 1.00 0.00 N ATOM 506 CA TYR A 34 6.243 -6.800 11.459 1.00 0.00 C ATOM 507 C TYR A 34 5.037 -5.921 11.083 1.00 0.00 C ATOM 508 O TYR A 34 4.102 -5.790 11.873 1.00 0.00 O ATOM 509 CB TYR A 34 7.184 -6.089 12.452 1.00 0.00 C ATOM 510 CG TYR A 34 8.114 -7.055 13.171 1.00 0.00 C ATOM 511 CD1 TYR A 34 9.328 -7.461 12.585 1.00 0.00 C ATOM 512 CD2 TYR A 34 7.719 -7.612 14.407 1.00 0.00 C ATOM 513 CE1 TYR A 34 10.129 -8.439 13.203 1.00 0.00 C ATOM 514 CE2 TYR A 34 8.523 -8.580 15.036 1.00 0.00 C ATOM 515 CZ TYR A 34 9.723 -9.012 14.431 1.00 0.00 C ATOM 516 OH TYR A 34 10.479 -9.970 15.038 1.00 0.00 O ATOM 0 H TYR A 34 7.699 -6.519 9.987 1.00 0.00 H new ATOM 0 HA TYR A 34 5.810 -7.684 11.926 1.00 0.00 H new ATOM 0 HB2 TYR A 34 7.779 -5.349 11.917 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.588 -5.548 13.188 1.00 0.00 H new ATOM 0 HD1 TYR A 34 9.647 -7.018 11.653 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.797 -7.294 14.871 1.00 0.00 H new ATOM 0 HE1 TYR A 34 11.053 -8.752 12.740 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.221 -8.995 15.986 1.00 0.00 H new ATOM 0 HH TYR A 34 10.047 -10.248 15.873 1.00 0.00 H new ATOM 526 N GLY A 35 5.031 -5.323 9.880 1.00 0.00 N ATOM 527 CA GLY A 35 3.922 -4.509 9.343 1.00 0.00 C ATOM 528 C GLY A 35 3.774 -3.124 9.993 1.00 0.00 C ATOM 529 O GLY A 35 2.783 -2.440 9.747 1.00 0.00 O ATOM 0 H GLY A 35 5.818 -5.393 9.235 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.070 -4.379 8.271 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.989 -5.058 9.472 1.00 0.00 H new ATOM 533 N GLN A 36 4.729 -2.721 10.835 1.00 0.00 N ATOM 534 CA GLN A 36 4.729 -1.467 11.592 1.00 0.00 C ATOM 535 C GLN A 36 5.514 -0.370 10.851 1.00 0.00 C ATOM 536 O GLN A 36 6.419 -0.651 10.061 1.00 0.00 O ATOM 537 CB GLN A 36 5.279 -1.738 13.004 1.00 0.00 C ATOM 538 CG GLN A 36 5.406 -0.534 13.965 1.00 0.00 C ATOM 539 CD GLN A 36 4.089 0.187 14.287 1.00 0.00 C ATOM 540 OE1 GLN A 36 3.308 0.532 13.410 1.00 0.00 O ATOM 541 NE2 GLN A 36 3.788 0.445 15.541 1.00 0.00 N ATOM 0 H GLN A 36 5.560 -3.285 11.015 1.00 0.00 H new ATOM 0 HA GLN A 36 3.710 -1.092 11.687 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.637 -2.480 13.478 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.265 -2.190 12.899 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.850 -0.880 14.898 1.00 0.00 H new ATOM 0 HG3 GLN A 36 6.099 0.186 13.530 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.426 0.166 16.286 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.917 0.924 15.768 1.00 0.00 H new ATOM 550 N ASN A 37 5.160 0.892 11.106 1.00 0.00 N ATOM 551 CA ASN A 37 5.796 2.078 10.525 1.00 0.00 C ATOM 552 C ASN A 37 7.300 2.179 10.870 1.00 0.00 C ATOM 553 O ASN A 37 7.717 1.939 12.008 1.00 0.00 O ATOM 554 CB ASN A 37 5.028 3.316 11.006 1.00 0.00 C ATOM 555 CG ASN A 37 5.469 4.586 10.284 1.00 0.00 C ATOM 556 OD1 ASN A 37 6.499 5.172 10.591 1.00 0.00 O ATOM 557 ND2 ASN A 37 4.716 5.049 9.303 1.00 0.00 N ATOM 0 H ASN A 37 4.398 1.124 11.743 1.00 0.00 H new ATOM 0 HA ASN A 37 5.752 2.004 9.438 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.960 3.163 10.848 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.177 3.440 12.079 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.993 5.894 8.802 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.857 4.562 9.046 1.00 0.00 H new ATOM 564 N GLU A 38 8.101 2.597 9.890 1.00 0.00 N ATOM 565 CA GLU A 38 9.565 2.710 9.963 1.00 0.00 C ATOM 566 C GLU A 38 10.080 3.688 11.036 1.00 0.00 C ATOM 567 O GLU A 38 11.226 3.556 11.471 1.00 0.00 O ATOM 568 CB GLU A 38 10.140 3.070 8.575 1.00 0.00 C ATOM 569 CG GLU A 38 9.565 4.329 7.901 1.00 0.00 C ATOM 570 CD GLU A 38 8.399 4.004 6.946 1.00 0.00 C ATOM 571 OE1 GLU A 38 7.323 3.563 7.411 1.00 0.00 O ATOM 572 OE2 GLU A 38 8.556 4.188 5.718 1.00 0.00 O ATOM 0 H GLU A 38 7.735 2.880 8.981 1.00 0.00 H new ATOM 0 HA GLU A 38 9.924 1.729 10.275 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.218 3.198 8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.980 2.222 7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.220 5.023 8.668 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.356 4.834 7.346 1.00 0.00 H new ATOM 579 N GLU A 39 9.258 4.631 11.513 1.00 0.00 N ATOM 580 CA GLU A 39 9.589 5.539 12.618 1.00 0.00 C ATOM 581 C GLU A 39 9.952 4.776 13.913 1.00 0.00 C ATOM 582 O GLU A 39 10.785 5.245 14.688 1.00 0.00 O ATOM 583 CB GLU A 39 8.417 6.513 12.843 1.00 0.00 C ATOM 584 CG GLU A 39 8.731 7.629 13.852 1.00 0.00 C ATOM 585 CD GLU A 39 7.547 8.591 13.992 1.00 0.00 C ATOM 586 OE1 GLU A 39 6.658 8.339 14.841 1.00 0.00 O ATOM 587 OE2 GLU A 39 7.492 9.612 13.265 1.00 0.00 O ATOM 0 H GLU A 39 8.324 4.787 11.133 1.00 0.00 H new ATOM 0 HA GLU A 39 10.478 6.107 12.345 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.141 6.963 11.889 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.551 5.952 13.193 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.965 7.191 14.822 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.615 8.179 13.528 1.00 0.00 H new ATOM 594 N GLY A 40 9.394 3.572 14.133 1.00 0.00 N ATOM 595 CA GLY A 40 9.764 2.693 15.254 1.00 0.00 C ATOM 596 C GLY A 40 11.133 2.044 15.048 1.00 0.00 C ATOM 597 O GLY A 40 11.956 2.046 15.964 1.00 0.00 O ATOM 0 H GLY A 40 8.668 3.180 13.533 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.772 3.270 16.179 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.008 1.916 15.369 1.00 0.00 H new ATOM 601 N MET A 41 11.405 1.553 13.837 1.00 0.00 N ATOM 602 CA MET A 41 12.682 0.934 13.438 1.00 0.00 C ATOM 603 C MET A 41 13.832 1.955 13.430 1.00 0.00 C ATOM 604 O MET A 41 14.930 1.640 13.881 1.00 0.00 O ATOM 605 CB MET A 41 12.550 0.261 12.057 1.00 0.00 C ATOM 606 CG MET A 41 11.755 -1.057 12.074 1.00 0.00 C ATOM 607 SD MET A 41 9.994 -0.942 12.492 1.00 0.00 S ATOM 608 CE MET A 41 9.526 -2.675 12.272 1.00 0.00 C ATOM 0 H MET A 41 10.724 1.573 13.078 1.00 0.00 H new ATOM 0 HA MET A 41 12.922 0.172 14.180 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.066 0.956 11.371 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.547 0.066 11.663 1.00 0.00 H new ATOM 0 HG2 MET A 41 11.842 -1.519 11.091 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.230 -1.732 12.786 1.00 0.00 H new ATOM 0 HE1 MET A 41 8.589 -2.868 12.795 1.00 0.00 H new ATOM 0 HE2 MET A 41 9.399 -2.885 11.210 1.00 0.00 H new ATOM 0 HE3 MET A 41 10.308 -3.317 12.678 1.00 0.00 H new ATOM 618 N VAL A 42 13.577 3.183 12.968 1.00 0.00 N ATOM 619 CA VAL A 42 14.536 4.305 13.001 1.00 0.00 C ATOM 620 C VAL A 42 14.717 4.841 14.432 1.00 0.00 C ATOM 621 O VAL A 42 15.844 5.133 14.834 1.00 0.00 O ATOM 622 CB VAL A 42 14.088 5.432 12.036 1.00 0.00 C ATOM 623 CG1 VAL A 42 14.904 6.733 12.171 1.00 0.00 C ATOM 624 CG2 VAL A 42 14.195 4.952 10.575 1.00 0.00 C ATOM 0 H VAL A 42 12.681 3.436 12.551 1.00 0.00 H new ATOM 0 HA VAL A 42 15.504 3.933 12.665 1.00 0.00 H new ATOM 0 HB VAL A 42 13.058 5.658 12.312 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.530 7.472 11.463 1.00 0.00 H new ATOM 0 HG12 VAL A 42 14.806 7.120 13.185 1.00 0.00 H new ATOM 0 HG13 VAL A 42 15.954 6.528 11.961 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.878 5.751 9.905 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.228 4.683 10.355 1.00 0.00 H new ATOM 0 HG23 VAL A 42 13.555 4.082 10.430 1.00 0.00 H new ATOM 634 N GLY A 43 13.633 4.950 15.213 1.00 0.00 N ATOM 635 CA GLY A 43 13.613 5.630 16.514 1.00 0.00 C ATOM 636 C GLY A 43 14.202 4.807 17.657 1.00 0.00 C ATOM 637 O GLY A 43 15.067 5.298 18.381 1.00 0.00 O ATOM 0 H GLY A 43 12.728 4.560 14.952 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.166 6.565 16.431 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.583 5.889 16.760 1.00 0.00 H new ATOM 641 N GLU A 44 13.784 3.547 17.822 1.00 0.00 N ATOM 642 CA GLU A 44 14.253 2.700 18.936 1.00 0.00 C ATOM 643 C GLU A 44 15.727 2.278 18.784 1.00 0.00 C ATOM 644 O GLU A 44 16.384 1.954 19.775 1.00 0.00 O ATOM 645 CB GLU A 44 13.347 1.464 19.103 1.00 0.00 C ATOM 646 CG GLU A 44 11.908 1.801 19.520 1.00 0.00 C ATOM 647 CD GLU A 44 11.845 2.558 20.855 1.00 0.00 C ATOM 648 OE1 GLU A 44 12.072 1.936 21.919 1.00 0.00 O ATOM 649 OE2 GLU A 44 11.559 3.781 20.856 1.00 0.00 O ATOM 0 H GLU A 44 13.120 3.086 17.199 1.00 0.00 H new ATOM 0 HA GLU A 44 14.191 3.308 19.839 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.323 0.913 18.163 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.786 0.802 19.849 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.439 2.403 18.742 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.331 0.880 19.601 1.00 0.00 H new ATOM 656 N LEU A 45 16.272 2.333 17.563 1.00 0.00 N ATOM 657 CA LEU A 45 17.693 2.097 17.283 1.00 0.00 C ATOM 658 C LEU A 45 18.598 3.167 17.914 1.00 0.00 C ATOM 659 O LEU A 45 19.727 2.869 18.300 1.00 0.00 O ATOM 660 CB LEU A 45 17.857 2.015 15.755 1.00 0.00 C ATOM 661 CG LEU A 45 19.272 1.649 15.267 1.00 0.00 C ATOM 662 CD1 LEU A 45 19.684 0.238 15.713 1.00 0.00 C ATOM 663 CD2 LEU A 45 19.309 1.741 13.734 1.00 0.00 C ATOM 0 H LEU A 45 15.728 2.547 16.727 1.00 0.00 H new ATOM 0 HA LEU A 45 18.011 1.160 17.740 1.00 0.00 H new ATOM 0 HB2 LEU A 45 17.154 1.276 15.369 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.578 2.976 15.323 1.00 0.00 H new ATOM 0 HG LEU A 45 19.979 2.351 15.709 1.00 0.00 H new ATOM 0 HD11 LEU A 45 20.688 0.020 15.348 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.674 0.183 16.802 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.983 -0.491 15.306 1.00 0.00 H new ATOM 0 HD21 LEU A 45 20.307 1.484 13.378 1.00 0.00 H new ATOM 0 HD22 LEU A 45 18.583 1.048 13.310 1.00 0.00 H new ATOM 0 HD23 LEU A 45 19.064 2.757 13.424 1.00 0.00 H new ATOM 675 N ILE A 46 18.100 4.397 18.072 1.00 0.00 N ATOM 676 CA ILE A 46 18.819 5.510 18.727 1.00 0.00 C ATOM 677 C ILE A 46 19.089 5.171 20.192 1.00 0.00 C ATOM 678 O ILE A 46 20.222 5.295 20.658 1.00 0.00 O ATOM 679 CB ILE A 46 18.025 6.833 18.610 1.00 0.00 C ATOM 680 CG1 ILE A 46 17.773 7.185 17.127 1.00 0.00 C ATOM 681 CG2 ILE A 46 18.788 7.979 19.312 1.00 0.00 C ATOM 682 CD1 ILE A 46 16.711 8.261 16.945 1.00 0.00 C ATOM 0 H ILE A 46 17.170 4.659 17.745 1.00 0.00 H new ATOM 0 HA ILE A 46 19.772 5.649 18.217 1.00 0.00 H new ATOM 0 HB ILE A 46 17.061 6.702 19.101 1.00 0.00 H new ATOM 0 HG12 ILE A 46 18.706 7.522 16.675 1.00 0.00 H new ATOM 0 HG13 ILE A 46 17.467 6.286 16.592 1.00 0.00 H new ATOM 0 HG21 ILE A 46 18.218 8.904 19.222 1.00 0.00 H new ATOM 0 HG22 ILE A 46 18.921 7.736 20.366 1.00 0.00 H new ATOM 0 HG23 ILE A 46 19.764 8.107 18.844 1.00 0.00 H new ATOM 0 HD11 ILE A 46 16.578 8.465 15.883 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.768 7.917 17.369 1.00 0.00 H new ATOM 0 HD13 ILE A 46 17.026 9.172 17.453 1.00 0.00 H new ATOM 694 N ALA A 47 18.055 4.714 20.905 1.00 0.00 N ATOM 695 CA ALA A 47 18.146 4.311 22.305 1.00 0.00 C ATOM 696 C ALA A 47 19.115 3.131 22.493 1.00 0.00 C ATOM 697 O ALA A 47 19.895 3.135 23.448 1.00 0.00 O ATOM 698 CB ALA A 47 16.738 3.978 22.808 1.00 0.00 C ATOM 0 H ALA A 47 17.118 4.613 20.516 1.00 0.00 H new ATOM 0 HA ALA A 47 18.554 5.132 22.895 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.788 3.675 23.854 1.00 0.00 H new ATOM 0 HB2 ALA A 47 16.101 4.858 22.715 1.00 0.00 H new ATOM 0 HB3 ALA A 47 16.322 3.165 22.213 1.00 0.00 H new ATOM 704 N PHE A 48 19.133 2.171 21.556 1.00 0.00 N ATOM 705 CA PHE A 48 20.083 1.059 21.560 1.00 0.00 C ATOM 706 C PHE A 48 21.527 1.557 21.384 1.00 0.00 C ATOM 707 O PHE A 48 22.379 1.242 22.218 1.00 0.00 O ATOM 708 CB PHE A 48 19.688 0.034 20.484 1.00 0.00 C ATOM 709 CG PHE A 48 20.518 -1.239 20.419 1.00 0.00 C ATOM 710 CD1 PHE A 48 21.122 -1.790 21.569 1.00 0.00 C ATOM 711 CD2 PHE A 48 20.649 -1.917 19.190 1.00 0.00 C ATOM 712 CE1 PHE A 48 21.851 -2.993 21.490 1.00 0.00 C ATOM 713 CE2 PHE A 48 21.364 -3.124 19.114 1.00 0.00 C ATOM 714 CZ PHE A 48 21.978 -3.656 20.259 1.00 0.00 C ATOM 0 H PHE A 48 18.482 2.148 20.771 1.00 0.00 H new ATOM 0 HA PHE A 48 20.044 0.563 22.530 1.00 0.00 H new ATOM 0 HB2 PHE A 48 18.647 -0.246 20.646 1.00 0.00 H new ATOM 0 HB3 PHE A 48 19.739 0.524 19.512 1.00 0.00 H new ATOM 0 HD1 PHE A 48 21.025 -1.285 22.519 1.00 0.00 H new ATOM 0 HD2 PHE A 48 20.196 -1.505 18.300 1.00 0.00 H new ATOM 0 HE1 PHE A 48 22.312 -3.405 22.376 1.00 0.00 H new ATOM 0 HE2 PHE A 48 21.442 -3.645 18.171 1.00 0.00 H new ATOM 0 HZ PHE A 48 22.546 -4.572 20.193 1.00 0.00 H new ATOM 724 N CYS A 49 21.807 2.390 20.373 1.00 0.00 N ATOM 725 CA CYS A 49 23.144 2.961 20.129 1.00 0.00 C ATOM 726 C CYS A 49 23.620 3.881 21.272 1.00 0.00 C ATOM 727 O CYS A 49 24.815 3.915 21.577 1.00 0.00 O ATOM 728 CB CYS A 49 23.135 3.705 18.784 1.00 0.00 C ATOM 729 SG CYS A 49 22.824 2.544 17.421 1.00 0.00 S ATOM 0 H CYS A 49 21.108 2.691 19.694 1.00 0.00 H new ATOM 0 HA CYS A 49 23.860 2.140 20.092 1.00 0.00 H new ATOM 0 HB2 CYS A 49 22.367 4.478 18.794 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.091 4.207 18.632 1.00 0.00 H new ATOM 0 HG CYS A 49 21.551 2.290 17.349 1.00 0.00 H new ATOM 735 N THR A 50 22.696 4.597 21.930 1.00 0.00 N ATOM 736 CA THR A 50 22.967 5.414 23.128 1.00 0.00 C ATOM 737 C THR A 50 23.314 4.512 24.312 1.00 0.00 C ATOM 738 O THR A 50 24.314 4.752 24.987 1.00 0.00 O ATOM 739 CB THR A 50 21.764 6.316 23.449 1.00 0.00 C ATOM 740 OG1 THR A 50 21.521 7.158 22.345 1.00 0.00 O ATOM 741 CG2 THR A 50 22.011 7.220 24.657 1.00 0.00 C ATOM 0 H THR A 50 21.718 4.627 21.640 1.00 0.00 H new ATOM 0 HA THR A 50 23.823 6.059 22.930 1.00 0.00 H new ATOM 0 HB THR A 50 20.922 5.659 23.669 1.00 0.00 H new ATOM 0 HG1 THR A 50 21.076 6.648 21.636 1.00 0.00 H new ATOM 0 HG21 THR A 50 21.129 7.835 24.838 1.00 0.00 H new ATOM 0 HG22 THR A 50 22.212 6.607 25.535 1.00 0.00 H new ATOM 0 HG23 THR A 50 22.868 7.864 24.460 1.00 0.00 H new ATOM 749 N SER A 51 22.545 3.449 24.531 1.00 0.00 N ATOM 750 CA SER A 51 22.755 2.485 25.620 1.00 0.00 C ATOM 751 C SER A 51 24.092 1.721 25.523 1.00 0.00 C ATOM 752 O SER A 51 24.797 1.587 26.531 1.00 0.00 O ATOM 753 CB SER A 51 21.564 1.513 25.664 1.00 0.00 C ATOM 754 OG SER A 51 21.633 0.604 26.755 1.00 0.00 O ATOM 0 H SER A 51 21.740 3.224 23.947 1.00 0.00 H new ATOM 0 HA SER A 51 22.816 3.050 26.550 1.00 0.00 H new ATOM 0 HB2 SER A 51 20.638 2.084 25.731 1.00 0.00 H new ATOM 0 HB3 SER A 51 21.525 0.951 24.731 1.00 0.00 H new ATOM 0 HG SER A 51 20.853 0.011 26.737 1.00 0.00 H new ATOM 760 N THR A 52 24.479 1.265 24.322 1.00 0.00 N ATOM 761 CA THR A 52 25.782 0.609 24.064 1.00 0.00 C ATOM 762 C THR A 52 26.938 1.594 23.926 1.00 0.00 C ATOM 763 O THR A 52 28.091 1.179 24.003 1.00 0.00 O ATOM 764 CB THR A 52 25.718 -0.275 22.810 1.00 0.00 C ATOM 765 OG1 THR A 52 25.418 0.528 21.687 1.00 0.00 O ATOM 766 CG2 THR A 52 24.678 -1.389 22.938 1.00 0.00 C ATOM 0 H THR A 52 23.894 1.339 23.490 1.00 0.00 H new ATOM 0 HA THR A 52 25.978 -0.006 24.942 1.00 0.00 H new ATOM 0 HB THR A 52 26.691 -0.751 22.689 1.00 0.00 H new ATOM 0 HG1 THR A 52 24.461 0.740 21.682 1.00 0.00 H new ATOM 0 HG21 THR A 52 24.671 -1.986 22.026 1.00 0.00 H new ATOM 0 HG22 THR A 52 24.929 -2.025 23.787 1.00 0.00 H new ATOM 0 HG23 THR A 52 23.692 -0.950 23.092 1.00 0.00 H new ATOM 774 N HIS A 53 26.629 2.871 23.700 1.00 0.00 N ATOM 775 CA HIS A 53 27.527 4.010 23.457 1.00 0.00 C ATOM 776 C HIS A 53 28.423 3.891 22.197 1.00 0.00 C ATOM 777 O HIS A 53 29.316 4.717 21.978 1.00 0.00 O ATOM 778 CB HIS A 53 28.249 4.452 24.747 1.00 0.00 C ATOM 779 CG HIS A 53 29.366 3.567 25.253 1.00 0.00 C ATOM 780 ND1 HIS A 53 29.313 2.742 26.351 1.00 0.00 N ATOM 781 CD2 HIS A 53 30.633 3.476 24.744 1.00 0.00 C ATOM 782 CE1 HIS A 53 30.506 2.146 26.483 1.00 0.00 C ATOM 783 NE2 HIS A 53 31.352 2.554 25.518 1.00 0.00 N ATOM 0 H HIS A 53 25.653 3.166 23.680 1.00 0.00 H new ATOM 0 HA HIS A 53 26.884 4.845 23.178 1.00 0.00 H new ATOM 0 HB2 HIS A 53 28.657 5.449 24.581 1.00 0.00 H new ATOM 0 HB3 HIS A 53 27.504 4.540 25.538 1.00 0.00 H new ATOM 0 HD2 HIS A 53 31.014 4.021 23.893 1.00 0.00 H new ATOM 0 HE1 HIS A 53 30.755 1.436 27.257 1.00 0.00 H new ATOM 0 HE2 HIS A 53 32.317 2.254 25.379 1.00 0.00 H new ATOM 791 N LYS A 54 28.183 2.901 21.322 1.00 0.00 N ATOM 792 CA LYS A 54 28.827 2.815 20.000 1.00 0.00 C ATOM 793 C LYS A 54 28.330 3.947 19.070 1.00 0.00 C ATOM 794 O LYS A 54 27.125 4.098 18.847 1.00 0.00 O ATOM 795 CB LYS A 54 28.579 1.423 19.380 1.00 0.00 C ATOM 796 CG LYS A 54 29.619 0.338 19.724 1.00 0.00 C ATOM 797 CD LYS A 54 29.734 -0.056 21.205 1.00 0.00 C ATOM 798 CE LYS A 54 30.696 0.841 21.998 1.00 0.00 C ATOM 799 NZ LYS A 54 30.756 0.425 23.421 1.00 0.00 N ATOM 0 H LYS A 54 27.536 2.136 21.511 1.00 0.00 H new ATOM 0 HA LYS A 54 29.902 2.945 20.123 1.00 0.00 H new ATOM 0 HB2 LYS A 54 27.598 1.073 19.701 1.00 0.00 H new ATOM 0 HB3 LYS A 54 28.540 1.531 18.296 1.00 0.00 H new ATOM 0 HG2 LYS A 54 29.380 -0.558 19.150 1.00 0.00 H new ATOM 0 HG3 LYS A 54 30.596 0.682 19.386 1.00 0.00 H new ATOM 0 HD2 LYS A 54 28.746 -0.012 21.663 1.00 0.00 H new ATOM 0 HD3 LYS A 54 30.072 -1.090 21.274 1.00 0.00 H new ATOM 0 HE2 LYS A 54 31.692 0.791 21.558 1.00 0.00 H new ATOM 0 HE3 LYS A 54 30.370 1.879 21.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 31.359 1.086 23.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 29.798 0.431 23.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 31.153 -0.534 23.486 1.00 0.00 H new ATOM 813 N VAL A 55 29.262 4.720 18.499 1.00 0.00 N ATOM 814 CA VAL A 55 28.969 5.886 17.623 1.00 0.00 C ATOM 815 C VAL A 55 28.756 5.512 16.142 1.00 0.00 C ATOM 816 O VAL A 55 28.352 6.362 15.350 1.00 0.00 O ATOM 817 CB VAL A 55 30.047 6.994 17.734 1.00 0.00 C ATOM 818 CG1 VAL A 55 30.122 7.550 19.165 1.00 0.00 C ATOM 819 CG2 VAL A 55 31.447 6.533 17.287 1.00 0.00 C ATOM 0 H VAL A 55 30.261 4.559 18.628 1.00 0.00 H new ATOM 0 HA VAL A 55 28.023 6.276 17.999 1.00 0.00 H new ATOM 0 HB VAL A 55 29.731 7.780 17.048 1.00 0.00 H new ATOM 0 HG11 VAL A 55 30.886 8.326 19.214 1.00 0.00 H new ATOM 0 HG12 VAL A 55 29.157 7.974 19.442 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.376 6.746 19.855 1.00 0.00 H new ATOM 0 HG21 VAL A 55 32.152 7.358 17.391 1.00 0.00 H new ATOM 0 HG22 VAL A 55 31.771 5.698 17.909 1.00 0.00 H new ATOM 0 HG23 VAL A 55 31.410 6.216 16.245 1.00 0.00 H new ATOM 829 N GLY A 56 29.031 4.254 15.773 1.00 0.00 N ATOM 830 CA GLY A 56 28.835 3.695 14.426 1.00 0.00 C ATOM 831 C GLY A 56 27.827 2.544 14.403 1.00 0.00 C ATOM 832 O GLY A 56 27.583 1.898 15.425 1.00 0.00 O ATOM 0 H GLY A 56 29.411 3.571 16.428 1.00 0.00 H new ATOM 0 HA2 GLY A 56 28.494 4.484 13.756 1.00 0.00 H new ATOM 0 HA3 GLY A 56 29.792 3.342 14.041 1.00 0.00 H new ATOM 836 N LEU A 57 27.269 2.280 13.219 1.00 0.00 N ATOM 837 CA LEU A 57 26.355 1.161 12.932 1.00 0.00 C ATOM 838 C LEU A 57 27.035 0.105 12.048 1.00 0.00 C ATOM 839 O LEU A 57 27.789 0.439 11.124 1.00 0.00 O ATOM 840 CB LEU A 57 25.076 1.713 12.257 1.00 0.00 C ATOM 841 CG LEU A 57 24.050 2.252 13.279 1.00 0.00 C ATOM 842 CD1 LEU A 57 23.067 3.222 12.602 1.00 0.00 C ATOM 843 CD2 LEU A 57 23.255 1.100 13.914 1.00 0.00 C ATOM 0 H LEU A 57 27.446 2.860 12.399 1.00 0.00 H new ATOM 0 HA LEU A 57 26.084 0.670 13.867 1.00 0.00 H new ATOM 0 HB2 LEU A 57 25.349 2.511 11.567 1.00 0.00 H new ATOM 0 HB3 LEU A 57 24.613 0.924 11.664 1.00 0.00 H new ATOM 0 HG LEU A 57 24.605 2.779 14.055 1.00 0.00 H new ATOM 0 HD11 LEU A 57 22.353 3.590 13.339 1.00 0.00 H new ATOM 0 HD12 LEU A 57 23.618 4.062 12.179 1.00 0.00 H new ATOM 0 HD13 LEU A 57 22.532 2.702 11.807 1.00 0.00 H new ATOM 0 HD21 LEU A 57 22.539 1.503 14.630 1.00 0.00 H new ATOM 0 HD22 LEU A 57 22.722 0.554 13.136 1.00 0.00 H new ATOM 0 HD23 LEU A 57 23.940 0.425 14.427 1.00 0.00 H new ATOM 855 N THR A 58 26.759 -1.173 12.332 1.00 0.00 N ATOM 856 CA THR A 58 27.303 -2.362 11.652 1.00 0.00 C ATOM 857 C THR A 58 26.231 -3.441 11.564 1.00 0.00 C ATOM 858 O THR A 58 25.261 -3.422 12.318 1.00 0.00 O ATOM 859 CB THR A 58 28.527 -2.935 12.394 1.00 0.00 C ATOM 860 OG1 THR A 58 28.150 -3.331 13.694 1.00 0.00 O ATOM 861 CG2 THR A 58 29.686 -1.936 12.509 1.00 0.00 C ATOM 0 H THR A 58 26.115 -1.423 13.083 1.00 0.00 H new ATOM 0 HA THR A 58 27.617 -2.054 10.655 1.00 0.00 H new ATOM 0 HB THR A 58 28.877 -3.783 11.805 1.00 0.00 H new ATOM 0 HG1 THR A 58 28.929 -3.696 14.163 1.00 0.00 H new ATOM 0 HG21 THR A 58 30.516 -2.401 13.041 1.00 0.00 H new ATOM 0 HG22 THR A 58 30.014 -1.642 11.512 1.00 0.00 H new ATOM 0 HG23 THR A 58 29.353 -1.054 13.056 1.00 0.00 H new ATOM 869 N SER A 59 26.405 -4.412 10.670 1.00 0.00 N ATOM 870 CA SER A 59 25.447 -5.504 10.446 1.00 0.00 C ATOM 871 C SER A 59 25.116 -6.302 11.723 1.00 0.00 C ATOM 872 O SER A 59 23.979 -6.751 11.892 1.00 0.00 O ATOM 873 CB SER A 59 26.003 -6.471 9.387 1.00 0.00 C ATOM 874 OG SER A 59 26.393 -5.788 8.199 1.00 0.00 O ATOM 0 H SER A 59 27.227 -4.467 10.069 1.00 0.00 H new ATOM 0 HA SER A 59 24.522 -5.037 10.108 1.00 0.00 H new ATOM 0 HB2 SER A 59 26.860 -7.005 9.797 1.00 0.00 H new ATOM 0 HB3 SER A 59 25.247 -7.218 9.145 1.00 0.00 H new ATOM 0 HG SER A 59 26.743 -6.434 7.550 1.00 0.00 H new ATOM 880 N GLU A 60 26.069 -6.419 12.657 1.00 0.00 N ATOM 881 CA GLU A 60 25.866 -7.066 13.958 1.00 0.00 C ATOM 882 C GLU A 60 24.909 -6.266 14.859 1.00 0.00 C ATOM 883 O GLU A 60 24.105 -6.858 15.583 1.00 0.00 O ATOM 884 CB GLU A 60 27.215 -7.240 14.672 1.00 0.00 C ATOM 885 CG GLU A 60 28.136 -8.221 13.943 1.00 0.00 C ATOM 886 CD GLU A 60 29.430 -8.461 14.740 1.00 0.00 C ATOM 887 OE1 GLU A 60 29.444 -9.338 15.638 1.00 0.00 O ATOM 888 OE2 GLU A 60 30.454 -7.790 14.461 1.00 0.00 O ATOM 0 H GLU A 60 27.015 -6.062 12.527 1.00 0.00 H new ATOM 0 HA GLU A 60 25.413 -8.039 13.770 1.00 0.00 H new ATOM 0 HB2 GLU A 60 27.709 -6.272 14.751 1.00 0.00 H new ATOM 0 HB3 GLU A 60 27.043 -7.594 15.688 1.00 0.00 H new ATOM 0 HG2 GLU A 60 27.617 -9.168 13.792 1.00 0.00 H new ATOM 0 HG3 GLU A 60 28.381 -7.830 12.955 1.00 0.00 H new ATOM 895 N ILE A 61 24.945 -4.930 14.806 1.00 0.00 N ATOM 896 CA ILE A 61 24.054 -4.050 15.581 1.00 0.00 C ATOM 897 C ILE A 61 22.636 -4.081 14.996 1.00 0.00 C ATOM 898 O ILE A 61 21.675 -4.200 15.756 1.00 0.00 O ATOM 899 CB ILE A 61 24.640 -2.613 15.674 1.00 0.00 C ATOM 900 CG1 ILE A 61 25.990 -2.634 16.427 1.00 0.00 C ATOM 901 CG2 ILE A 61 23.656 -1.649 16.371 1.00 0.00 C ATOM 902 CD1 ILE A 61 26.768 -1.313 16.384 1.00 0.00 C ATOM 0 H ILE A 61 25.602 -4.419 14.216 1.00 0.00 H new ATOM 0 HA ILE A 61 23.984 -4.420 16.604 1.00 0.00 H new ATOM 0 HB ILE A 61 24.803 -2.251 14.659 1.00 0.00 H new ATOM 0 HG12 ILE A 61 25.806 -2.898 17.468 1.00 0.00 H new ATOM 0 HG13 ILE A 61 26.614 -3.421 16.004 1.00 0.00 H new ATOM 0 HG21 ILE A 61 24.096 -0.653 16.420 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.725 -1.607 15.805 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.451 -2.005 17.381 1.00 0.00 H new ATOM 0 HD11 ILE A 61 27.700 -1.422 16.938 1.00 0.00 H new ATOM 0 HD12 ILE A 61 26.989 -1.054 15.348 1.00 0.00 H new ATOM 0 HD13 ILE A 61 26.168 -0.523 16.835 1.00 0.00 H new ATOM 914 N LEU A 62 22.483 -4.061 13.665 1.00 0.00 N ATOM 915 CA LEU A 62 21.160 -4.169 13.035 1.00 0.00 C ATOM 916 C LEU A 62 20.543 -5.576 13.169 1.00 0.00 C ATOM 917 O LEU A 62 19.317 -5.694 13.189 1.00 0.00 O ATOM 918 CB LEU A 62 21.211 -3.699 11.565 1.00 0.00 C ATOM 919 CG LEU A 62 21.397 -2.191 11.293 1.00 0.00 C ATOM 920 CD1 LEU A 62 20.527 -1.305 12.199 1.00 0.00 C ATOM 921 CD2 LEU A 62 22.850 -1.713 11.394 1.00 0.00 C ATOM 0 H LEU A 62 23.256 -3.971 13.006 1.00 0.00 H new ATOM 0 HA LEU A 62 20.493 -3.501 13.580 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.026 -4.230 11.073 1.00 0.00 H new ATOM 0 HB3 LEU A 62 20.286 -4.014 11.081 1.00 0.00 H new ATOM 0 HG LEU A 62 21.072 -2.081 10.259 1.00 0.00 H new ATOM 0 HD11 LEU A 62 20.703 -0.256 11.959 1.00 0.00 H new ATOM 0 HD12 LEU A 62 19.475 -1.543 12.039 1.00 0.00 H new ATOM 0 HD13 LEU A 62 20.785 -1.487 13.242 1.00 0.00 H new ATOM 0 HD21 LEU A 62 22.896 -0.643 11.190 1.00 0.00 H new ATOM 0 HD22 LEU A 62 23.228 -1.907 12.398 1.00 0.00 H new ATOM 0 HD23 LEU A 62 23.460 -2.248 10.667 1.00 0.00 H new ATOM 933 N ASN A 63 21.354 -6.630 13.322 1.00 0.00 N ATOM 934 CA ASN A 63 20.879 -7.956 13.732 1.00 0.00 C ATOM 935 C ASN A 63 20.465 -7.961 15.217 1.00 0.00 C ATOM 936 O ASN A 63 19.384 -8.439 15.557 1.00 0.00 O ATOM 937 CB ASN A 63 21.968 -9.017 13.467 1.00 0.00 C ATOM 938 CG ASN A 63 22.162 -9.354 11.988 1.00 0.00 C ATOM 939 OD1 ASN A 63 21.330 -9.078 11.127 1.00 0.00 O ATOM 940 ND2 ASN A 63 23.264 -10.001 11.647 1.00 0.00 N ATOM 0 H ASN A 63 22.361 -6.586 13.164 1.00 0.00 H new ATOM 0 HA ASN A 63 19.998 -8.203 13.139 1.00 0.00 H new ATOM 0 HB2 ASN A 63 22.914 -8.661 13.875 1.00 0.00 H new ATOM 0 HB3 ASN A 63 21.711 -9.929 14.006 1.00 0.00 H new ATOM 0 HD21 ASN A 63 23.419 -10.267 10.675 1.00 0.00 H new ATOM 0 HD22 ASN A 63 23.959 -10.233 12.356 1.00 0.00 H new ATOM 947 N SER A 64 21.280 -7.397 16.115 1.00 0.00 N ATOM 948 CA SER A 64 20.994 -7.350 17.558 1.00 0.00 C ATOM 949 C SER A 64 19.757 -6.494 17.899 1.00 0.00 C ATOM 950 O SER A 64 19.057 -6.782 18.868 1.00 0.00 O ATOM 951 CB SER A 64 22.213 -6.823 18.330 1.00 0.00 C ATOM 952 OG SER A 64 23.334 -7.687 18.199 1.00 0.00 O ATOM 0 H SER A 64 22.164 -6.956 15.862 1.00 0.00 H new ATOM 0 HA SER A 64 20.774 -8.374 17.861 1.00 0.00 H new ATOM 0 HB2 SER A 64 22.474 -5.830 17.963 1.00 0.00 H new ATOM 0 HB3 SER A 64 21.957 -6.716 19.384 1.00 0.00 H new ATOM 0 HG SER A 64 23.754 -7.548 17.324 1.00 0.00 H new ATOM 958 N PHE A 65 19.440 -5.484 17.078 1.00 0.00 N ATOM 959 CA PHE A 65 18.270 -4.618 17.232 1.00 0.00 C ATOM 960 C PHE A 65 16.929 -5.384 17.230 1.00 0.00 C ATOM 961 O PHE A 65 15.988 -4.971 17.917 1.00 0.00 O ATOM 962 CB PHE A 65 18.314 -3.548 16.130 1.00 0.00 C ATOM 963 CG PHE A 65 17.111 -2.626 16.126 1.00 0.00 C ATOM 964 CD1 PHE A 65 16.836 -1.828 17.253 1.00 0.00 C ATOM 965 CD2 PHE A 65 16.234 -2.604 15.023 1.00 0.00 C ATOM 966 CE1 PHE A 65 15.684 -1.026 17.278 1.00 0.00 C ATOM 967 CE2 PHE A 65 15.090 -1.791 15.046 1.00 0.00 C ATOM 968 CZ PHE A 65 14.815 -0.997 16.173 1.00 0.00 C ATOM 0 H PHE A 65 20.008 -5.242 16.266 1.00 0.00 H new ATOM 0 HA PHE A 65 18.318 -4.151 18.216 1.00 0.00 H new ATOM 0 HB2 PHE A 65 19.218 -2.951 16.252 1.00 0.00 H new ATOM 0 HB3 PHE A 65 18.386 -4.041 15.160 1.00 0.00 H new ATOM 0 HD1 PHE A 65 17.510 -1.833 18.097 1.00 0.00 H new ATOM 0 HD2 PHE A 65 16.443 -3.215 14.157 1.00 0.00 H new ATOM 0 HE1 PHE A 65 15.464 -0.428 18.150 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.421 -1.775 14.198 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.938 -0.366 16.190 1.00 0.00 H new ATOM 978 N GLU A 66 16.847 -6.529 16.537 1.00 0.00 N ATOM 979 CA GLU A 66 15.687 -7.432 16.602 1.00 0.00 C ATOM 980 C GLU A 66 15.452 -7.917 18.037 1.00 0.00 C ATOM 981 O GLU A 66 14.346 -7.815 18.564 1.00 0.00 O ATOM 982 CB GLU A 66 15.892 -8.643 15.673 1.00 0.00 C ATOM 983 CG GLU A 66 15.935 -8.256 14.193 1.00 0.00 C ATOM 984 CD GLU A 66 16.139 -9.501 13.315 1.00 0.00 C ATOM 985 OE1 GLU A 66 15.198 -10.322 13.179 1.00 0.00 O ATOM 986 OE2 GLU A 66 17.235 -9.648 12.726 1.00 0.00 O ATOM 0 H GLU A 66 17.585 -6.856 15.914 1.00 0.00 H new ATOM 0 HA GLU A 66 14.811 -6.874 16.273 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.822 -9.146 15.939 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.085 -9.358 15.833 1.00 0.00 H new ATOM 0 HG2 GLU A 66 15.007 -7.756 13.915 1.00 0.00 H new ATOM 0 HG3 GLU A 66 16.744 -7.546 14.020 1.00 0.00 H new ATOM 993 N HIS A 67 16.508 -8.371 18.711 1.00 0.00 N ATOM 994 CA HIS A 67 16.447 -8.868 20.088 1.00 0.00 C ATOM 995 C HIS A 67 16.256 -7.738 21.127 1.00 0.00 C ATOM 996 O HIS A 67 15.832 -8.002 22.254 1.00 0.00 O ATOM 997 CB HIS A 67 17.720 -9.671 20.375 1.00 0.00 C ATOM 998 CG HIS A 67 17.887 -10.875 19.472 1.00 0.00 C ATOM 999 ND1 HIS A 67 17.336 -12.126 19.658 1.00 0.00 N ATOM 1000 CD2 HIS A 67 18.619 -10.930 18.313 1.00 0.00 C ATOM 1001 CE1 HIS A 67 17.722 -12.908 18.634 1.00 0.00 C ATOM 1002 NE2 HIS A 67 18.510 -12.224 17.782 1.00 0.00 N ATOM 0 H HIS A 67 17.446 -8.405 18.311 1.00 0.00 H new ATOM 0 HA HIS A 67 15.569 -9.507 20.183 1.00 0.00 H new ATOM 0 HB2 HIS A 67 18.586 -9.018 20.262 1.00 0.00 H new ATOM 0 HB3 HIS A 67 17.705 -10.004 21.413 1.00 0.00 H new ATOM 0 HD2 HIS A 67 19.183 -10.116 17.883 1.00 0.00 H new ATOM 0 HE1 HIS A 67 17.439 -13.943 18.512 1.00 0.00 H new ATOM 0 HE2 HIS A 67 18.940 -12.575 16.926 1.00 0.00 H new ATOM 1010 N GLU A 68 16.550 -6.486 20.759 1.00 0.00 N ATOM 1011 CA GLU A 68 16.444 -5.308 21.620 1.00 0.00 C ATOM 1012 C GLU A 68 15.019 -4.726 21.696 1.00 0.00 C ATOM 1013 O GLU A 68 14.713 -3.991 22.639 1.00 0.00 O ATOM 1014 CB GLU A 68 17.446 -4.253 21.116 1.00 0.00 C ATOM 1015 CG GLU A 68 17.666 -3.068 22.063 1.00 0.00 C ATOM 1016 CD GLU A 68 18.118 -3.501 23.466 1.00 0.00 C ATOM 1017 OE1 GLU A 68 19.179 -4.158 23.599 1.00 0.00 O ATOM 1018 OE2 GLU A 68 17.408 -3.207 24.458 1.00 0.00 O ATOM 0 H GLU A 68 16.879 -6.260 19.821 1.00 0.00 H new ATOM 0 HA GLU A 68 16.681 -5.611 22.640 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.405 -4.740 20.938 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.098 -3.872 20.156 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.415 -2.401 21.635 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.741 -2.498 22.145 1.00 0.00 H new ATOM 1025 N PHE A 69 14.132 -5.057 20.747 1.00 0.00 N ATOM 1026 CA PHE A 69 12.780 -4.487 20.671 1.00 0.00 C ATOM 1027 C PHE A 69 11.784 -5.401 19.948 1.00 0.00 C ATOM 1028 O PHE A 69 10.794 -5.811 20.554 1.00 0.00 O ATOM 1029 CB PHE A 69 12.861 -3.082 20.024 1.00 0.00 C ATOM 1030 CG PHE A 69 11.538 -2.438 19.624 1.00 0.00 C ATOM 1031 CD1 PHE A 69 10.410 -2.505 20.473 1.00 0.00 C ATOM 1032 CD2 PHE A 69 11.428 -1.775 18.384 1.00 0.00 C ATOM 1033 CE1 PHE A 69 9.182 -1.951 20.068 1.00 0.00 C ATOM 1034 CE2 PHE A 69 10.199 -1.216 17.985 1.00 0.00 C ATOM 1035 CZ PHE A 69 9.079 -1.307 18.823 1.00 0.00 C ATOM 0 H PHE A 69 14.333 -5.730 20.008 1.00 0.00 H new ATOM 0 HA PHE A 69 12.389 -4.394 21.684 1.00 0.00 H new ATOM 0 HB2 PHE A 69 13.368 -2.415 20.721 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.489 -3.152 19.136 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.491 -2.984 21.438 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.290 -1.696 17.738 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.319 -2.021 20.713 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.119 -0.716 17.031 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.136 -0.882 18.512 1.00 0.00 H new ATOM 1045 N LEU A 70 12.021 -5.727 18.673 1.00 0.00 N ATOM 1046 CA LEU A 70 11.023 -6.379 17.814 1.00 0.00 C ATOM 1047 C LEU A 70 10.667 -7.792 18.301 1.00 0.00 C ATOM 1048 O LEU A 70 9.492 -8.151 18.329 1.00 0.00 O ATOM 1049 CB LEU A 70 11.518 -6.391 16.347 1.00 0.00 C ATOM 1050 CG LEU A 70 11.634 -5.044 15.593 1.00 0.00 C ATOM 1051 CD1 LEU A 70 10.361 -4.195 15.703 1.00 0.00 C ATOM 1052 CD2 LEU A 70 12.857 -4.218 15.996 1.00 0.00 C ATOM 0 H LEU A 70 12.910 -5.547 18.206 1.00 0.00 H new ATOM 0 HA LEU A 70 10.102 -5.798 17.869 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.500 -6.864 16.333 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.847 -7.033 15.776 1.00 0.00 H new ATOM 0 HG LEU A 70 11.768 -5.327 14.549 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.498 -3.262 15.156 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.520 -4.744 15.280 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.160 -3.975 16.751 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.872 -3.289 15.427 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.808 -3.991 17.061 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.764 -4.786 15.788 1.00 0.00 H new ATOM 1064 N SER A 71 11.643 -8.576 18.749 1.00 0.00 N ATOM 1065 CA SER A 71 11.426 -9.920 19.310 1.00 0.00 C ATOM 1066 C SER A 71 10.912 -9.911 20.765 1.00 0.00 C ATOM 1067 O SER A 71 10.339 -10.904 21.213 1.00 0.00 O ATOM 1068 CB SER A 71 12.729 -10.732 19.257 1.00 0.00 C ATOM 1069 OG SER A 71 13.190 -10.905 17.927 1.00 0.00 O ATOM 0 H SER A 71 12.624 -8.298 18.735 1.00 0.00 H new ATOM 0 HA SER A 71 10.651 -10.376 18.693 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.496 -10.227 19.844 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.568 -11.708 19.715 1.00 0.00 H new ATOM 0 HG SER A 71 14.021 -11.424 17.934 1.00 0.00 H new ATOM 1075 N LYS A 72 11.067 -8.802 21.508 1.00 0.00 N ATOM 1076 CA LYS A 72 10.499 -8.651 22.861 1.00 0.00 C ATOM 1077 C LYS A 72 8.966 -8.514 22.821 1.00 0.00 C ATOM 1078 O LYS A 72 8.262 -9.246 23.525 1.00 0.00 O ATOM 1079 CB LYS A 72 11.116 -7.433 23.569 1.00 0.00 C ATOM 1080 CG LYS A 72 12.631 -7.531 23.817 1.00 0.00 C ATOM 1081 CD LYS A 72 13.101 -6.275 24.565 1.00 0.00 C ATOM 1082 CE LYS A 72 14.604 -6.336 24.867 1.00 0.00 C ATOM 1083 NZ LYS A 72 15.119 -5.025 25.330 1.00 0.00 N ATOM 0 H LYS A 72 11.589 -7.985 21.189 1.00 0.00 H new ATOM 0 HA LYS A 72 10.742 -9.554 23.421 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.917 -6.543 22.972 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.613 -7.293 24.526 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.859 -8.423 24.400 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.162 -7.625 22.870 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.884 -5.390 23.967 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.544 -6.174 25.497 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.793 -7.092 25.629 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.144 -6.645 23.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.090 -5.139 25.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.117 -4.352 24.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.512 -4.663 26.093 1.00 0.00 H new