USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 564 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 SER OG : rot 180:sc= 0.308 USER MOD Set 1.2: A 35 LYS NZ :NH3+ 138:sc= 0.592 (180deg=-0.139) USER MOD Set 1.3: A 46 HIS : no HD1:sc= 0.55 K(o=1.4,f=-3.4) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -172:sc= 0 (180deg=-0.0402) USER MOD Single : A 26 GLN : amide:sc= 1.31 K(o=1.3,f=-6.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -155:sc= 1.22 (180deg=0.846) USER MOD Single : A 38 CYS SG : rot 79:sc= 0.385 USER MOD Single : A 42 SER OG : rot -28:sc= 0.699 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-4.4e-05) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0.101 X(o=0.1,f=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.351 X(o=-0.35,f=-0.029) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.275 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.971 K(o=0.97,f=-0.29) USER MOD Single : A 67 ASN : amide:sc= 0.553 K(o=0.55,f=-0.47) USER MOD Single : A 70 LYS NZ :NH3+ -179:sc= 0.804 (180deg=0.8) USER MOD Single : A 71 ASN : amide:sc= 0.135 K(o=0.14,f=-2.2!) USER MOD Single : A 73 THR OG1 : rot -140:sc= 0.726 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ILE A 7 11.655 -5.220 -15.138 1.00 0.00 N ATOM 92 CA ILE A 7 11.705 -5.522 -13.699 1.00 0.00 C ATOM 93 C ILE A 7 13.121 -5.274 -13.160 1.00 0.00 C ATOM 94 O ILE A 7 14.107 -5.673 -13.785 1.00 0.00 O ATOM 95 CB ILE A 7 11.226 -6.968 -13.415 1.00 0.00 C ATOM 96 CG1 ILE A 7 9.827 -7.248 -14.021 1.00 0.00 C ATOM 97 CG2 ILE A 7 11.224 -7.250 -11.901 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.338 -8.695 -13.875 1.00 0.00 C ATOM 0 HA ILE A 7 11.022 -4.854 -13.175 1.00 0.00 H new ATOM 0 HB ILE A 7 11.931 -7.643 -13.900 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.103 -6.585 -13.547 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.848 -6.992 -15.080 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.885 -8.270 -11.721 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.233 -7.128 -11.507 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.553 -6.551 -11.402 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.352 -8.793 -14.328 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.036 -9.367 -14.375 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.279 -8.954 -12.818 1.00 0.00 H new ATOM 110 N VAL A 8 13.225 -4.636 -11.990 1.00 0.00 N ATOM 111 CA VAL A 8 14.492 -4.267 -11.332 1.00 0.00 C ATOM 112 C VAL A 8 14.494 -4.637 -9.845 1.00 0.00 C ATOM 113 O VAL A 8 13.546 -4.338 -9.118 1.00 0.00 O ATOM 114 CB VAL A 8 14.815 -2.771 -11.533 1.00 0.00 C ATOM 115 CG1 VAL A 8 15.208 -2.480 -12.986 1.00 0.00 C ATOM 116 CG2 VAL A 8 13.689 -1.807 -11.134 1.00 0.00 C ATOM 0 H VAL A 8 12.406 -4.351 -11.454 1.00 0.00 H new ATOM 0 HA VAL A 8 15.281 -4.847 -11.811 1.00 0.00 H new ATOM 0 HB VAL A 8 15.649 -2.587 -10.856 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.430 -1.419 -13.097 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.090 -3.065 -13.248 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.384 -2.750 -13.647 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.009 -0.780 -11.311 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.801 -2.018 -11.730 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.456 -1.937 -10.077 1.00 0.00 H new ATOM 126 N LYS A 9 15.564 -5.293 -9.376 1.00 0.00 N ATOM 127 CA LYS A 9 15.769 -5.624 -7.954 1.00 0.00 C ATOM 128 C LYS A 9 16.238 -4.399 -7.163 1.00 0.00 C ATOM 129 O LYS A 9 17.103 -3.660 -7.633 1.00 0.00 O ATOM 130 CB LYS A 9 16.746 -6.807 -7.830 1.00 0.00 C ATOM 131 CG LYS A 9 16.780 -7.383 -6.402 1.00 0.00 C ATOM 132 CD LYS A 9 17.658 -8.638 -6.275 1.00 0.00 C ATOM 133 CE LYS A 9 19.143 -8.341 -6.524 1.00 0.00 C ATOM 134 NZ LYS A 9 19.980 -9.559 -6.354 1.00 0.00 N ATOM 0 H LYS A 9 16.322 -5.614 -9.978 1.00 0.00 H new ATOM 0 HA LYS A 9 14.817 -5.927 -7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.456 -7.591 -8.530 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.747 -6.481 -8.113 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.149 -6.619 -5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.764 -7.626 -6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.537 -9.063 -5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.317 -9.390 -6.986 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.272 -7.948 -7.532 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.481 -7.567 -5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.977 -9.322 -6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.875 -9.920 -5.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.673 -10.288 -7.029 1.00 0.00 H new ATOM 148 N VAL A 10 15.711 -4.207 -5.957 1.00 0.00 N ATOM 149 CA VAL A 10 16.007 -3.076 -5.059 1.00 0.00 C ATOM 150 C VAL A 10 16.177 -3.536 -3.611 1.00 0.00 C ATOM 151 O VAL A 10 15.646 -4.575 -3.215 1.00 0.00 O ATOM 152 CB VAL A 10 14.912 -1.990 -5.128 1.00 0.00 C ATOM 153 CG1 VAL A 10 14.816 -1.370 -6.524 1.00 0.00 C ATOM 154 CG2 VAL A 10 13.523 -2.494 -4.713 1.00 0.00 C ATOM 0 H VAL A 10 15.037 -4.858 -5.555 1.00 0.00 H new ATOM 0 HA VAL A 10 16.948 -2.647 -5.404 1.00 0.00 H new ATOM 0 HB VAL A 10 15.224 -1.234 -4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.034 -0.610 -6.532 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.770 -0.912 -6.785 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.575 -2.146 -7.251 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.803 -1.679 -4.786 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.219 -3.306 -5.373 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.559 -2.856 -3.685 1.00 0.00 H new ATOM 164 N ALA A 11 16.888 -2.735 -2.816 1.00 0.00 N ATOM 165 CA ALA A 11 16.970 -2.879 -1.359 1.00 0.00 C ATOM 166 C ALA A 11 16.285 -1.684 -0.676 1.00 0.00 C ATOM 167 O ALA A 11 16.529 -0.540 -1.058 1.00 0.00 O ATOM 168 CB ALA A 11 18.437 -3.024 -0.941 1.00 0.00 C ATOM 0 H ALA A 11 17.435 -1.951 -3.173 1.00 0.00 H new ATOM 0 HA ALA A 11 16.444 -3.779 -1.040 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.498 -3.131 0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.866 -3.906 -1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.993 -2.139 -1.250 1.00 0.00 H new ATOM 174 N ILE A 12 15.425 -1.932 0.315 1.00 0.00 N ATOM 175 CA ILE A 12 14.548 -0.917 0.917 1.00 0.00 C ATOM 176 C ILE A 12 14.817 -0.794 2.417 1.00 0.00 C ATOM 177 O ILE A 12 14.712 -1.767 3.160 1.00 0.00 O ATOM 178 CB ILE A 12 13.059 -1.221 0.639 1.00 0.00 C ATOM 179 CG1 ILE A 12 12.800 -1.459 -0.868 1.00 0.00 C ATOM 180 CG2 ILE A 12 12.175 -0.067 1.170 1.00 0.00 C ATOM 181 CD1 ILE A 12 11.412 -2.021 -1.152 1.00 0.00 C ATOM 0 H ILE A 12 15.315 -2.857 0.730 1.00 0.00 H new ATOM 0 HA ILE A 12 14.775 0.042 0.451 1.00 0.00 H new ATOM 0 HB ILE A 12 12.797 -2.140 1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.922 -0.518 -1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.551 -2.147 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.127 -0.290 0.970 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.324 0.041 2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.450 0.862 0.670 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.291 -2.166 -2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.295 -2.977 -0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.656 -1.323 -0.793 1.00 0.00 H new ATOM 193 N GLU A 13 15.141 0.412 2.866 1.00 0.00 N ATOM 194 CA GLU A 13 15.368 0.756 4.273 1.00 0.00 C ATOM 195 C GLU A 13 14.059 1.034 5.042 1.00 0.00 C ATOM 196 O GLU A 13 13.136 1.663 4.515 1.00 0.00 O ATOM 197 CB GLU A 13 16.277 1.991 4.369 1.00 0.00 C ATOM 198 CG GLU A 13 17.690 1.768 3.811 1.00 0.00 C ATOM 199 CD GLU A 13 18.587 3.007 4.001 1.00 0.00 C ATOM 200 OE1 GLU A 13 19.828 2.847 4.091 1.00 0.00 O ATOM 201 OE2 GLU A 13 18.066 4.148 4.075 1.00 0.00 O ATOM 0 H GLU A 13 15.258 1.210 2.241 1.00 0.00 H new ATOM 0 HA GLU A 13 15.843 -0.110 4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.810 2.816 3.831 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.353 2.294 5.413 1.00 0.00 H new ATOM 0 HG2 GLU A 13 18.145 0.911 4.308 1.00 0.00 H new ATOM 0 HG3 GLU A 13 17.627 1.525 2.750 1.00 0.00 H new ATOM 208 N TRP A 14 14.022 0.630 6.316 1.00 0.00 N ATOM 209 CA TRP A 14 12.980 0.968 7.299 1.00 0.00 C ATOM 210 C TRP A 14 13.544 0.851 8.736 1.00 0.00 C ATOM 211 O TRP A 14 14.370 -0.039 8.972 1.00 0.00 O ATOM 212 CB TRP A 14 11.767 0.047 7.102 1.00 0.00 C ATOM 213 CG TRP A 14 10.617 0.283 8.032 1.00 0.00 C ATOM 214 CD1 TRP A 14 10.246 -0.529 9.047 1.00 0.00 C ATOM 215 CD2 TRP A 14 9.701 1.419 8.078 1.00 0.00 C ATOM 216 NE1 TRP A 14 9.166 0.019 9.712 1.00 0.00 N ATOM 217 CE2 TRP A 14 8.800 1.233 9.170 1.00 0.00 C ATOM 218 CE3 TRP A 14 9.581 2.620 7.345 1.00 0.00 C ATOM 219 CZ2 TRP A 14 7.822 2.181 9.508 1.00 0.00 C ATOM 220 CZ3 TRP A 14 8.610 3.582 7.680 1.00 0.00 C ATOM 221 CH2 TRP A 14 7.731 3.365 8.756 1.00 0.00 C ATOM 0 H TRP A 14 14.748 0.032 6.710 1.00 0.00 H new ATOM 0 HA TRP A 14 12.658 1.999 7.149 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.411 0.159 6.078 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.096 -0.986 7.215 1.00 0.00 H new ATOM 0 HD1 TRP A 14 10.722 -1.465 9.300 1.00 0.00 H new ATOM 0 HE1 TRP A 14 8.698 -0.420 10.505 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.245 2.803 6.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.149 2.003 10.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.539 4.494 7.106 1.00 0.00 H new ATOM 0 HH2 TRP A 14 6.987 4.107 9.004 1.00 0.00 H new ATOM 232 N PRO A 15 13.159 1.710 9.706 1.00 0.00 N ATOM 233 CA PRO A 15 13.746 1.701 11.050 1.00 0.00 C ATOM 234 C PRO A 15 13.507 0.395 11.826 1.00 0.00 C ATOM 235 O PRO A 15 12.447 -0.229 11.723 1.00 0.00 O ATOM 236 CB PRO A 15 13.154 2.911 11.784 1.00 0.00 C ATOM 237 CG PRO A 15 12.767 3.852 10.645 1.00 0.00 C ATOM 238 CD PRO A 15 12.287 2.870 9.581 1.00 0.00 C ATOM 0 HA PRO A 15 14.831 1.764 10.973 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.290 2.633 12.388 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.879 3.369 12.456 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.984 4.551 10.940 1.00 0.00 H new ATOM 0 HG3 PRO A 15 13.613 4.447 10.301 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.244 2.597 9.740 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.354 3.306 8.584 1.00 0.00 H new ATOM 246 N GLY A 16 14.493 -0.008 12.634 1.00 0.00 N ATOM 247 CA GLY A 16 14.424 -1.205 13.488 1.00 0.00 C ATOM 248 C GLY A 16 14.502 -2.553 12.748 1.00 0.00 C ATOM 249 O GLY A 16 14.240 -3.592 13.359 1.00 0.00 O ATOM 0 H GLY A 16 15.377 0.494 12.717 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.237 -1.160 14.212 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.492 -1.174 14.053 1.00 0.00 H new ATOM 253 N ALA A 17 14.855 -2.556 11.457 1.00 0.00 N ATOM 254 CA ALA A 17 14.934 -3.746 10.606 1.00 0.00 C ATOM 255 C ALA A 17 16.097 -3.676 9.597 1.00 0.00 C ATOM 256 O ALA A 17 16.546 -2.593 9.208 1.00 0.00 O ATOM 257 CB ALA A 17 13.589 -3.925 9.886 1.00 0.00 C ATOM 0 H ALA A 17 15.102 -1.700 10.961 1.00 0.00 H new ATOM 0 HA ALA A 17 15.138 -4.610 11.238 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.632 -4.808 9.248 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.795 -4.049 10.623 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.383 -3.046 9.275 1.00 0.00 H new ATOM 263 N TYR A 18 16.567 -4.843 9.146 1.00 0.00 N ATOM 264 CA TYR A 18 17.507 -4.959 8.025 1.00 0.00 C ATOM 265 C TYR A 18 16.820 -4.599 6.688 1.00 0.00 C ATOM 266 O TYR A 18 15.602 -4.791 6.568 1.00 0.00 O ATOM 267 CB TYR A 18 18.081 -6.383 7.975 1.00 0.00 C ATOM 268 CG TYR A 18 18.834 -6.797 9.228 1.00 0.00 C ATOM 269 CD1 TYR A 18 18.246 -7.685 10.151 1.00 0.00 C ATOM 270 CD2 TYR A 18 20.124 -6.285 9.470 1.00 0.00 C ATOM 271 CE1 TYR A 18 18.944 -8.058 11.317 1.00 0.00 C ATOM 272 CE2 TYR A 18 20.824 -6.656 10.634 1.00 0.00 C ATOM 273 CZ TYR A 18 20.237 -7.544 11.562 1.00 0.00 C ATOM 274 OH TYR A 18 20.922 -7.897 12.685 1.00 0.00 O ATOM 0 H TYR A 18 16.304 -5.741 9.551 1.00 0.00 H new ATOM 0 HA TYR A 18 18.323 -4.253 8.178 1.00 0.00 H new ATOM 0 HB2 TYR A 18 17.265 -7.086 7.807 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.751 -6.462 7.119 1.00 0.00 H new ATOM 0 HD1 TYR A 18 17.258 -8.080 9.964 1.00 0.00 H new ATOM 0 HD2 TYR A 18 20.577 -5.607 8.762 1.00 0.00 H new ATOM 0 HE1 TYR A 18 18.490 -8.737 12.024 1.00 0.00 H new ATOM 0 HE2 TYR A 18 21.812 -6.261 10.818 1.00 0.00 H new ATOM 0 HH TYR A 18 21.794 -7.451 12.690 1.00 0.00 H new ATOM 284 N PRO A 19 17.551 -4.106 5.665 1.00 0.00 N ATOM 285 CA PRO A 19 16.952 -3.717 4.388 1.00 0.00 C ATOM 286 C PRO A 19 16.219 -4.869 3.681 1.00 0.00 C ATOM 287 O PRO A 19 16.769 -5.962 3.510 1.00 0.00 O ATOM 288 CB PRO A 19 18.091 -3.149 3.533 1.00 0.00 C ATOM 289 CG PRO A 19 19.094 -2.664 4.577 1.00 0.00 C ATOM 290 CD PRO A 19 18.951 -3.702 5.692 1.00 0.00 C ATOM 0 HA PRO A 19 16.173 -2.973 4.555 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.523 -3.908 2.880 1.00 0.00 H new ATOM 0 HB3 PRO A 19 17.749 -2.335 2.893 1.00 0.00 H new ATOM 0 HG2 PRO A 19 20.109 -2.634 4.180 1.00 0.00 H new ATOM 0 HG3 PRO A 19 18.859 -1.659 4.927 1.00 0.00 H new ATOM 0 HD2 PRO A 19 19.609 -4.554 5.523 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.220 -3.279 6.660 1.00 0.00 H new ATOM 298 N LYS A 20 14.979 -4.619 3.244 1.00 0.00 N ATOM 299 CA LYS A 20 14.148 -5.571 2.492 1.00 0.00 C ATOM 300 C LYS A 20 14.580 -5.617 1.027 1.00 0.00 C ATOM 301 O LYS A 20 14.481 -4.612 0.325 1.00 0.00 O ATOM 302 CB LYS A 20 12.664 -5.188 2.648 1.00 0.00 C ATOM 303 CG LYS A 20 11.719 -5.979 1.727 1.00 0.00 C ATOM 304 CD LYS A 20 10.246 -5.707 2.067 1.00 0.00 C ATOM 305 CE LYS A 20 9.274 -6.302 1.034 1.00 0.00 C ATOM 306 NZ LYS A 20 9.377 -7.784 0.922 1.00 0.00 N ATOM 0 H LYS A 20 14.512 -3.727 3.407 1.00 0.00 H new ATOM 0 HA LYS A 20 14.282 -6.575 2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.364 -5.347 3.684 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.550 -4.124 2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.910 -5.708 0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.925 -7.045 1.822 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.023 -6.122 3.050 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.086 -4.631 2.131 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.253 -6.034 1.308 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.470 -5.855 0.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.699 -8.126 0.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.342 -8.044 0.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.162 -8.217 1.843 1.00 0.00 H new ATOM 320 N LEU A 21 15.033 -6.779 0.557 1.00 0.00 N ATOM 321 CA LEU A 21 15.251 -7.040 -0.868 1.00 0.00 C ATOM 322 C LEU A 21 13.912 -7.400 -1.532 1.00 0.00 C ATOM 323 O LEU A 21 13.179 -8.254 -1.025 1.00 0.00 O ATOM 324 CB LEU A 21 16.282 -8.169 -1.050 1.00 0.00 C ATOM 325 CG LEU A 21 17.727 -7.761 -0.706 1.00 0.00 C ATOM 326 CD1 LEU A 21 18.609 -9.005 -0.589 1.00 0.00 C ATOM 327 CD2 LEU A 21 18.330 -6.858 -1.785 1.00 0.00 C ATOM 0 H LEU A 21 15.261 -7.572 1.157 1.00 0.00 H new ATOM 0 HA LEU A 21 15.648 -6.145 -1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 21 15.995 -9.013 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.249 -8.514 -2.084 1.00 0.00 H new ATOM 0 HG LEU A 21 17.691 -7.219 0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.629 -8.706 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.223 -9.652 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.605 -9.544 -1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.350 -6.591 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.340 -7.387 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.730 -5.953 -1.879 1.00 0.00 H new ATOM 339 N MET A 22 13.596 -6.772 -2.666 1.00 0.00 N ATOM 340 CA MET A 22 12.431 -7.109 -3.500 1.00 0.00 C ATOM 341 C MET A 22 12.636 -6.678 -4.961 1.00 0.00 C ATOM 342 O MET A 22 13.639 -6.054 -5.298 1.00 0.00 O ATOM 343 CB MET A 22 11.145 -6.511 -2.896 1.00 0.00 C ATOM 344 CG MET A 22 10.941 -5.013 -3.127 1.00 0.00 C ATOM 345 SD MET A 22 9.330 -4.434 -2.529 1.00 0.00 S ATOM 346 CE MET A 22 8.223 -5.043 -3.829 1.00 0.00 C ATOM 0 H MET A 22 14.149 -6.001 -3.041 1.00 0.00 H new ATOM 0 HA MET A 22 12.321 -8.193 -3.510 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.289 -7.044 -3.309 1.00 0.00 H new ATOM 0 HB3 MET A 22 11.148 -6.698 -1.822 1.00 0.00 H new ATOM 0 HG2 MET A 22 11.733 -4.459 -2.623 1.00 0.00 H new ATOM 0 HG3 MET A 22 11.029 -4.797 -4.192 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.222 -4.642 -3.672 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.594 -4.722 -4.802 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.187 -6.132 -3.796 1.00 0.00 H new ATOM 356 N GLU A 23 11.676 -6.989 -5.834 1.00 0.00 N ATOM 357 CA GLU A 23 11.682 -6.583 -7.245 1.00 0.00 C ATOM 358 C GLU A 23 10.521 -5.630 -7.568 1.00 0.00 C ATOM 359 O GLU A 23 9.359 -5.907 -7.258 1.00 0.00 O ATOM 360 CB GLU A 23 11.663 -7.820 -8.153 1.00 0.00 C ATOM 361 CG GLU A 23 13.030 -8.521 -8.181 1.00 0.00 C ATOM 362 CD GLU A 23 13.023 -9.821 -9.012 1.00 0.00 C ATOM 363 OE1 GLU A 23 14.024 -10.086 -9.722 1.00 0.00 O ATOM 364 OE2 GLU A 23 12.046 -10.605 -8.944 1.00 0.00 O ATOM 0 H GLU A 23 10.857 -7.540 -5.578 1.00 0.00 H new ATOM 0 HA GLU A 23 12.603 -6.032 -7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.903 -8.518 -7.803 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.383 -7.526 -9.165 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.774 -7.838 -8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.336 -8.750 -7.160 1.00 0.00 H new ATOM 371 N ILE A 24 10.849 -4.509 -8.211 1.00 0.00 N ATOM 372 CA ILE A 24 9.908 -3.506 -8.722 1.00 0.00 C ATOM 373 C ILE A 24 9.636 -3.803 -10.200 1.00 0.00 C ATOM 374 O ILE A 24 10.523 -3.678 -11.046 1.00 0.00 O ATOM 375 CB ILE A 24 10.467 -2.084 -8.461 1.00 0.00 C ATOM 376 CG1 ILE A 24 10.417 -1.827 -6.934 1.00 0.00 C ATOM 377 CG2 ILE A 24 9.718 -0.984 -9.243 1.00 0.00 C ATOM 378 CD1 ILE A 24 10.844 -0.428 -6.482 1.00 0.00 C ATOM 0 H ILE A 24 11.821 -4.262 -8.399 1.00 0.00 H new ATOM 0 HA ILE A 24 8.951 -3.552 -8.202 1.00 0.00 H new ATOM 0 HB ILE A 24 11.494 -2.039 -8.824 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.399 -2.006 -6.587 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.056 -2.559 -6.440 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.158 -0.013 -9.016 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.799 -1.178 -10.312 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.667 -0.983 -8.953 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.771 -0.358 -5.397 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.874 -0.245 -6.789 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.192 0.317 -6.938 1.00 0.00 H new ATOM 390 N ASP A 25 8.403 -4.210 -10.507 1.00 0.00 N ATOM 391 CA ASP A 25 7.899 -4.363 -11.875 1.00 0.00 C ATOM 392 C ASP A 25 7.347 -3.026 -12.382 1.00 0.00 C ATOM 393 O ASP A 25 6.370 -2.505 -11.839 1.00 0.00 O ATOM 394 CB ASP A 25 6.831 -5.470 -11.897 1.00 0.00 C ATOM 395 CG ASP A 25 6.255 -5.779 -13.292 1.00 0.00 C ATOM 396 OD1 ASP A 25 5.491 -6.765 -13.406 1.00 0.00 O ATOM 397 OD2 ASP A 25 6.550 -5.047 -14.264 1.00 0.00 O ATOM 0 H ASP A 25 7.711 -4.448 -9.796 1.00 0.00 H new ATOM 0 HA ASP A 25 8.708 -4.656 -12.544 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.264 -6.382 -11.487 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.013 -5.181 -11.237 1.00 0.00 H new ATOM 402 N GLN A 26 7.949 -2.468 -13.432 1.00 0.00 N ATOM 403 CA GLN A 26 7.550 -1.174 -13.990 1.00 0.00 C ATOM 404 C GLN A 26 6.163 -1.190 -14.668 1.00 0.00 C ATOM 405 O GLN A 26 5.596 -0.119 -14.901 1.00 0.00 O ATOM 406 CB GLN A 26 8.651 -0.616 -14.909 1.00 0.00 C ATOM 407 CG GLN A 26 10.038 -0.451 -14.246 1.00 0.00 C ATOM 408 CD GLN A 26 10.150 0.684 -13.221 1.00 0.00 C ATOM 409 OE1 GLN A 26 9.190 1.141 -12.612 1.00 0.00 O ATOM 410 NE2 GLN A 26 11.342 1.192 -12.990 1.00 0.00 N ATOM 0 H GLN A 26 8.731 -2.902 -13.922 1.00 0.00 H new ATOM 0 HA GLN A 26 7.435 -0.491 -13.148 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.753 -1.277 -15.770 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.329 0.354 -15.288 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.300 -1.388 -13.754 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.778 -0.284 -15.029 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.156 0.828 -13.485 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.452 1.950 -12.316 1.00 0.00 H new ATOM 419 N LYS A 27 5.575 -2.370 -14.939 1.00 0.00 N ATOM 420 CA LYS A 27 4.170 -2.504 -15.376 1.00 0.00 C ATOM 421 C LYS A 27 3.163 -2.389 -14.220 1.00 0.00 C ATOM 422 O LYS A 27 2.041 -1.929 -14.446 1.00 0.00 O ATOM 423 CB LYS A 27 3.946 -3.848 -16.097 1.00 0.00 C ATOM 424 CG LYS A 27 4.757 -4.083 -17.383 1.00 0.00 C ATOM 425 CD LYS A 27 4.587 -2.968 -18.432 1.00 0.00 C ATOM 426 CE LYS A 27 4.733 -3.466 -19.880 1.00 0.00 C ATOM 427 NZ LYS A 27 6.024 -4.155 -20.140 1.00 0.00 N ATOM 0 H LYS A 27 6.062 -3.263 -14.861 1.00 0.00 H new ATOM 0 HA LYS A 27 3.993 -1.673 -16.058 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.175 -4.652 -15.398 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.887 -3.931 -16.342 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.813 -4.170 -17.126 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.456 -5.034 -17.824 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.605 -2.511 -18.310 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.327 -2.189 -18.247 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.914 -4.148 -20.106 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.639 -2.619 -20.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.058 -4.465 -21.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.810 -3.500 -19.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.108 -4.982 -19.516 1.00 0.00 H new ATOM 441 N LYS A 28 3.525 -2.807 -12.997 1.00 0.00 N ATOM 442 CA LYS A 28 2.634 -2.779 -11.816 1.00 0.00 C ATOM 443 C LYS A 28 2.498 -1.366 -11.230 1.00 0.00 C ATOM 444 O LYS A 28 3.484 -0.626 -11.222 1.00 0.00 O ATOM 445 CB LYS A 28 3.113 -3.765 -10.733 1.00 0.00 C ATOM 446 CG LYS A 28 2.755 -5.215 -11.089 1.00 0.00 C ATOM 447 CD LYS A 28 2.966 -6.182 -9.911 1.00 0.00 C ATOM 448 CE LYS A 28 1.828 -6.055 -8.886 1.00 0.00 C ATOM 449 NZ LYS A 28 1.913 -7.089 -7.823 1.00 0.00 N ATOM 0 H LYS A 28 4.453 -3.178 -12.793 1.00 0.00 H new ATOM 0 HA LYS A 28 1.648 -3.092 -12.158 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.192 -3.676 -10.611 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.661 -3.503 -9.776 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.714 -5.260 -11.410 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.363 -5.539 -11.934 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.015 -7.206 -10.281 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.920 -5.971 -9.429 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.860 -5.065 -8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.869 -6.140 -9.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.967 -7.254 -7.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.276 -7.975 -8.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.555 -6.763 -7.072 1.00 0.00 H new ATOM 463 N PRO A 29 1.321 -0.980 -10.702 1.00 0.00 N ATOM 464 CA PRO A 29 1.127 0.310 -10.037 1.00 0.00 C ATOM 465 C PRO A 29 1.940 0.394 -8.744 1.00 0.00 C ATOM 466 O PRO A 29 2.031 -0.577 -7.990 1.00 0.00 O ATOM 467 CB PRO A 29 -0.375 0.399 -9.744 1.00 0.00 C ATOM 468 CG PRO A 29 -0.816 -1.059 -9.645 1.00 0.00 C ATOM 469 CD PRO A 29 0.110 -1.786 -10.613 1.00 0.00 C ATOM 0 HA PRO A 29 1.466 1.135 -10.663 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.570 0.939 -8.818 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.907 0.924 -10.537 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.712 -1.440 -8.629 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.862 -1.180 -9.925 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.337 -2.790 -10.255 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.358 -1.895 -11.591 1.00 0.00 H new ATOM 477 N LEU A 30 2.479 1.578 -8.444 1.00 0.00 N ATOM 478 CA LEU A 30 3.242 1.801 -7.213 1.00 0.00 C ATOM 479 C LEU A 30 2.412 1.547 -5.949 1.00 0.00 C ATOM 480 O LEU A 30 2.978 1.075 -4.973 1.00 0.00 O ATOM 481 CB LEU A 30 3.822 3.221 -7.209 1.00 0.00 C ATOM 482 CG LEU A 30 5.028 3.371 -8.151 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.239 4.847 -8.455 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.313 2.815 -7.534 1.00 0.00 C ATOM 0 H LEU A 30 2.400 2.402 -9.040 1.00 0.00 H new ATOM 0 HA LEU A 30 4.057 1.077 -7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.046 3.927 -7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.123 3.483 -6.195 1.00 0.00 H new ATOM 0 HG LEU A 30 4.812 2.806 -9.058 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.093 4.963 -9.123 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.347 5.251 -8.933 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.429 5.386 -7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.138 2.943 -8.235 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.535 3.351 -6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.183 1.755 -7.316 1.00 0.00 H new ATOM 496 N SER A 31 1.091 1.760 -5.956 1.00 0.00 N ATOM 497 CA SER A 31 0.220 1.405 -4.820 1.00 0.00 C ATOM 498 C SER A 31 0.304 -0.090 -4.472 1.00 0.00 C ATOM 499 O SER A 31 0.537 -0.444 -3.313 1.00 0.00 O ATOM 500 CB SER A 31 -1.228 1.814 -5.118 1.00 0.00 C ATOM 501 OG SER A 31 -2.093 1.460 -4.049 1.00 0.00 O ATOM 0 H SER A 31 0.594 2.180 -6.742 1.00 0.00 H new ATOM 0 HA SER A 31 0.573 1.955 -3.948 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.277 2.890 -5.288 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.563 1.331 -6.036 1.00 0.00 H new ATOM 0 HG SER A 31 -3.009 1.734 -4.265 1.00 0.00 H new ATOM 507 N ALA A 32 0.219 -0.977 -5.475 1.00 0.00 N ATOM 508 CA ALA A 32 0.362 -2.422 -5.270 1.00 0.00 C ATOM 509 C ALA A 32 1.776 -2.803 -4.784 1.00 0.00 C ATOM 510 O ALA A 32 1.926 -3.630 -3.883 1.00 0.00 O ATOM 511 CB ALA A 32 0.008 -3.143 -6.578 1.00 0.00 C ATOM 0 H ALA A 32 0.050 -0.712 -6.445 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.323 -2.735 -4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.110 -4.219 -6.439 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.020 -2.909 -6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.682 -2.813 -7.369 1.00 0.00 H new ATOM 517 N ILE A 33 2.813 -2.167 -5.337 1.00 0.00 N ATOM 518 CA ILE A 33 4.214 -2.403 -4.953 1.00 0.00 C ATOM 519 C ILE A 33 4.475 -1.922 -3.518 1.00 0.00 C ATOM 520 O ILE A 33 5.033 -2.666 -2.721 1.00 0.00 O ATOM 521 CB ILE A 33 5.165 -1.742 -5.976 1.00 0.00 C ATOM 522 CG1 ILE A 33 4.948 -2.363 -7.377 1.00 0.00 C ATOM 523 CG2 ILE A 33 6.640 -1.874 -5.553 1.00 0.00 C ATOM 524 CD1 ILE A 33 5.703 -1.648 -8.500 1.00 0.00 C ATOM 0 H ILE A 33 2.706 -1.467 -6.071 1.00 0.00 H new ATOM 0 HA ILE A 33 4.412 -3.475 -4.967 1.00 0.00 H new ATOM 0 HB ILE A 33 4.930 -0.678 -6.013 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.259 -3.407 -7.352 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.882 -2.353 -7.606 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.276 -1.397 -6.298 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.786 -1.390 -4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.903 -2.929 -5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.499 -2.144 -9.449 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.376 -0.610 -8.555 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.773 -1.681 -8.297 1.00 0.00 H new ATOM 536 N ILE A 34 4.018 -0.724 -3.143 1.00 0.00 N ATOM 537 CA ILE A 34 4.133 -0.173 -1.784 1.00 0.00 C ATOM 538 C ILE A 34 3.390 -1.061 -0.775 1.00 0.00 C ATOM 539 O ILE A 34 3.896 -1.274 0.325 1.00 0.00 O ATOM 540 CB ILE A 34 3.650 1.299 -1.758 1.00 0.00 C ATOM 541 CG1 ILE A 34 4.645 2.206 -2.527 1.00 0.00 C ATOM 542 CG2 ILE A 34 3.492 1.836 -0.323 1.00 0.00 C ATOM 543 CD1 ILE A 34 4.025 3.530 -2.994 1.00 0.00 C ATOM 0 H ILE A 34 3.546 -0.092 -3.790 1.00 0.00 H new ATOM 0 HA ILE A 34 5.181 -0.170 -1.484 1.00 0.00 H new ATOM 0 HB ILE A 34 2.672 1.318 -2.239 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.500 2.420 -1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.024 1.665 -3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.152 2.871 -0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.761 1.231 0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.452 1.786 0.192 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.775 4.116 -3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.187 3.324 -3.660 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.672 4.091 -2.129 1.00 0.00 H new ATOM 555 N LYS A 35 2.249 -1.661 -1.149 1.00 0.00 N ATOM 556 CA LYS A 35 1.570 -2.671 -0.321 1.00 0.00 C ATOM 557 C LYS A 35 2.430 -3.922 -0.103 1.00 0.00 C ATOM 558 O LYS A 35 2.514 -4.405 1.024 1.00 0.00 O ATOM 559 CB LYS A 35 0.202 -3.007 -0.937 1.00 0.00 C ATOM 560 CG LYS A 35 -0.715 -3.688 0.086 1.00 0.00 C ATOM 561 CD LYS A 35 -2.123 -3.891 -0.494 1.00 0.00 C ATOM 562 CE LYS A 35 -3.134 -4.392 0.547 1.00 0.00 C ATOM 563 NZ LYS A 35 -3.357 -3.407 1.641 1.00 0.00 N ATOM 0 H LYS A 35 1.773 -1.461 -2.029 1.00 0.00 H new ATOM 0 HA LYS A 35 1.410 -2.250 0.672 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.270 -2.094 -1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.339 -3.661 -1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.293 -4.651 0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.773 -3.081 0.990 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.477 -2.949 -0.912 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.072 -4.605 -1.316 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.083 -4.605 0.055 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.778 -5.330 0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.371 -3.362 1.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.828 -3.701 2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.028 -2.469 1.336 1.00 0.00 H new ATOM 577 N GLU A 36 3.131 -4.403 -1.132 1.00 0.00 N ATOM 578 CA GLU A 36 4.114 -5.483 -1.026 1.00 0.00 C ATOM 579 C GLU A 36 5.345 -5.101 -0.173 1.00 0.00 C ATOM 580 O GLU A 36 5.896 -5.967 0.510 1.00 0.00 O ATOM 581 CB GLU A 36 4.523 -5.919 -2.443 1.00 0.00 C ATOM 582 CG GLU A 36 3.465 -6.788 -3.132 1.00 0.00 C ATOM 583 CD GLU A 36 3.965 -7.291 -4.499 1.00 0.00 C ATOM 584 OE1 GLU A 36 3.434 -6.851 -5.547 1.00 0.00 O ATOM 585 OE2 GLU A 36 4.876 -8.154 -4.535 1.00 0.00 O ATOM 0 H GLU A 36 3.029 -4.045 -2.082 1.00 0.00 H new ATOM 0 HA GLU A 36 3.649 -6.317 -0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.709 -5.033 -3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.461 -6.472 -2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.218 -7.638 -2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.549 -6.213 -3.266 1.00 0.00 H new ATOM 592 N VAL A 37 5.750 -3.821 -0.137 1.00 0.00 N ATOM 593 CA VAL A 37 6.763 -3.331 0.821 1.00 0.00 C ATOM 594 C VAL A 37 6.218 -3.403 2.253 1.00 0.00 C ATOM 595 O VAL A 37 6.834 -4.022 3.121 1.00 0.00 O ATOM 596 CB VAL A 37 7.243 -1.887 0.551 1.00 0.00 C ATOM 597 CG1 VAL A 37 8.432 -1.566 1.460 1.00 0.00 C ATOM 598 CG2 VAL A 37 7.718 -1.619 -0.876 1.00 0.00 C ATOM 0 H VAL A 37 5.391 -3.100 -0.763 1.00 0.00 H new ATOM 0 HA VAL A 37 7.624 -3.986 0.691 1.00 0.00 H new ATOM 0 HB VAL A 37 6.366 -1.267 0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.771 -0.548 1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.128 -1.659 2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.245 -2.263 1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.034 -0.580 -0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.557 -2.275 -1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.902 -1.811 -1.573 1.00 0.00 H new ATOM 608 N CYS A 38 5.053 -2.788 2.496 1.00 0.00 N ATOM 609 CA CYS A 38 4.452 -2.647 3.824 1.00 0.00 C ATOM 610 C CYS A 38 4.138 -4.009 4.464 1.00 0.00 C ATOM 611 O CYS A 38 4.456 -4.223 5.634 1.00 0.00 O ATOM 612 CB CYS A 38 3.190 -1.773 3.722 1.00 0.00 C ATOM 613 SG CYS A 38 3.619 -0.074 3.241 1.00 0.00 S ATOM 0 H CYS A 38 4.491 -2.366 1.756 1.00 0.00 H new ATOM 0 HA CYS A 38 5.174 -2.160 4.479 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.504 -2.201 2.991 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.670 -1.764 4.680 1.00 0.00 H new ATOM 0 HG CYS A 38 3.837 -0.027 1.960 1.00 0.00 H new ATOM 619 N ASP A 39 3.598 -4.959 3.695 1.00 0.00 N ATOM 620 CA ASP A 39 3.326 -6.330 4.148 1.00 0.00 C ATOM 621 C ASP A 39 4.599 -7.074 4.606 1.00 0.00 C ATOM 622 O ASP A 39 4.546 -7.889 5.528 1.00 0.00 O ATOM 623 CB ASP A 39 2.639 -7.094 3.005 1.00 0.00 C ATOM 624 CG ASP A 39 2.160 -8.497 3.417 1.00 0.00 C ATOM 625 OD1 ASP A 39 1.532 -8.641 4.494 1.00 0.00 O ATOM 626 OD2 ASP A 39 2.369 -9.456 2.637 1.00 0.00 O ATOM 0 H ASP A 39 3.332 -4.796 2.724 1.00 0.00 H new ATOM 0 HA ASP A 39 2.676 -6.277 5.021 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.786 -6.515 2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.332 -7.185 2.169 1.00 0.00 H new ATOM 631 N GLY A 40 5.764 -6.739 4.033 1.00 0.00 N ATOM 632 CA GLY A 40 7.073 -7.265 4.441 1.00 0.00 C ATOM 633 C GLY A 40 7.480 -6.907 5.880 1.00 0.00 C ATOM 634 O GLY A 40 8.250 -7.645 6.498 1.00 0.00 O ATOM 0 H GLY A 40 5.823 -6.081 3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.063 -8.350 4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.832 -6.887 3.757 1.00 0.00 H new ATOM 638 N TRP A 41 6.917 -5.827 6.436 1.00 0.00 N ATOM 639 CA TRP A 41 7.050 -5.411 7.838 1.00 0.00 C ATOM 640 C TRP A 41 5.705 -5.402 8.599 1.00 0.00 C ATOM 641 O TRP A 41 5.605 -4.814 9.677 1.00 0.00 O ATOM 642 CB TRP A 41 7.786 -4.063 7.882 1.00 0.00 C ATOM 643 CG TRP A 41 9.207 -4.092 7.398 1.00 0.00 C ATOM 644 CD1 TRP A 41 10.191 -4.869 7.907 1.00 0.00 C ATOM 645 CD2 TRP A 41 9.828 -3.326 6.316 1.00 0.00 C ATOM 646 NE1 TRP A 41 11.366 -4.650 7.216 1.00 0.00 N ATOM 647 CE2 TRP A 41 11.204 -3.701 6.232 1.00 0.00 C ATOM 648 CE3 TRP A 41 9.374 -2.347 5.406 1.00 0.00 C ATOM 649 CZ2 TRP A 41 12.084 -3.136 5.299 1.00 0.00 C ATOM 650 CZ3 TRP A 41 10.254 -1.768 4.469 1.00 0.00 C ATOM 651 CH2 TRP A 41 11.599 -2.163 4.411 1.00 0.00 C ATOM 0 H TRP A 41 6.330 -5.191 5.897 1.00 0.00 H new ATOM 0 HA TRP A 41 7.645 -6.151 8.373 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.229 -3.344 7.281 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.776 -3.696 8.908 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.075 -5.558 8.731 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.244 -5.131 7.410 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.339 -2.038 5.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 13.118 -3.444 5.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.889 -1.013 3.789 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.261 -1.718 3.683 1.00 0.00 H new ATOM 662 N SER A 42 4.670 -6.058 8.056 1.00 0.00 N ATOM 663 CA SER A 42 3.283 -6.126 8.570 1.00 0.00 C ATOM 664 C SER A 42 2.585 -4.763 8.785 1.00 0.00 C ATOM 665 O SER A 42 1.607 -4.658 9.531 1.00 0.00 O ATOM 666 CB SER A 42 3.181 -7.075 9.778 1.00 0.00 C ATOM 667 OG SER A 42 3.697 -6.515 10.977 1.00 0.00 O ATOM 0 H SER A 42 4.779 -6.590 7.193 1.00 0.00 H new ATOM 0 HA SER A 42 2.696 -6.562 7.762 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.136 -7.346 9.932 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.719 -7.996 9.554 1.00 0.00 H new ATOM 0 HG SER A 42 4.392 -5.859 10.759 1.00 0.00 H new ATOM 673 N LEU A 43 3.068 -3.710 8.116 1.00 0.00 N ATOM 674 CA LEU A 43 2.551 -2.340 8.199 1.00 0.00 C ATOM 675 C LEU A 43 1.149 -2.223 7.573 1.00 0.00 C ATOM 676 O LEU A 43 0.934 -2.596 6.417 1.00 0.00 O ATOM 677 CB LEU A 43 3.549 -1.384 7.514 1.00 0.00 C ATOM 678 CG LEU A 43 4.867 -1.180 8.284 1.00 0.00 C ATOM 679 CD1 LEU A 43 5.893 -0.505 7.379 1.00 0.00 C ATOM 680 CD2 LEU A 43 4.684 -0.310 9.530 1.00 0.00 C ATOM 0 H LEU A 43 3.860 -3.792 7.478 1.00 0.00 H new ATOM 0 HA LEU A 43 2.448 -2.064 9.249 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.779 -1.769 6.521 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.069 -0.415 7.377 1.00 0.00 H new ATOM 0 HG LEU A 43 5.207 -2.167 8.598 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.824 -0.362 7.928 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.078 -1.133 6.507 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.511 0.463 7.055 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.642 -0.196 10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.310 0.671 9.237 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.970 -0.785 10.203 1.00 0.00 H new ATOM 692 N ALA A 44 0.200 -1.679 8.339 1.00 0.00 N ATOM 693 CA ALA A 44 -1.156 -1.365 7.888 1.00 0.00 C ATOM 694 C ALA A 44 -1.216 -0.055 7.072 1.00 0.00 C ATOM 695 O ALA A 44 -0.306 0.775 7.133 1.00 0.00 O ATOM 696 CB ALA A 44 -2.068 -1.303 9.122 1.00 0.00 C ATOM 0 H ALA A 44 0.359 -1.438 9.317 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.497 -2.148 7.210 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.086 -1.070 8.811 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.056 -2.266 9.632 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.710 -0.529 9.801 1.00 0.00 H new ATOM 702 N ASN A 45 -2.328 0.146 6.351 1.00 0.00 N ATOM 703 CA ASN A 45 -2.666 1.376 5.617 1.00 0.00 C ATOM 704 C ASN A 45 -1.554 1.841 4.651 1.00 0.00 C ATOM 705 O ASN A 45 -1.009 2.940 4.784 1.00 0.00 O ATOM 706 CB ASN A 45 -3.124 2.470 6.604 1.00 0.00 C ATOM 707 CG ASN A 45 -4.267 2.035 7.507 1.00 0.00 C ATOM 708 OD1 ASN A 45 -5.265 1.477 7.068 1.00 0.00 O ATOM 709 ND2 ASN A 45 -4.162 2.257 8.798 1.00 0.00 N ATOM 0 H ASN A 45 -3.046 -0.572 6.259 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.505 1.152 4.958 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.277 2.768 7.222 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.432 3.350 6.040 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.909 1.965 9.428 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.333 2.721 9.170 1.00 0.00 H new ATOM 716 N HIS A 46 -1.223 1.014 3.649 1.00 0.00 N ATOM 717 CA HIS A 46 -0.170 1.302 2.665 1.00 0.00 C ATOM 718 C HIS A 46 -0.455 2.573 1.839 1.00 0.00 C ATOM 719 O HIS A 46 0.464 3.176 1.293 1.00 0.00 O ATOM 720 CB HIS A 46 -0.003 0.075 1.760 1.00 0.00 C ATOM 721 CG HIS A 46 -1.063 -0.018 0.694 1.00 0.00 C ATOM 722 ND1 HIS A 46 -2.370 -0.496 0.840 1.00 0.00 N ATOM 723 CD2 HIS A 46 -0.926 0.520 -0.547 1.00 0.00 C ATOM 724 CE1 HIS A 46 -2.978 -0.238 -0.336 1.00 0.00 C ATOM 725 NE2 HIS A 46 -2.128 0.361 -1.189 1.00 0.00 N ATOM 0 H HIS A 46 -1.684 0.117 3.498 1.00 0.00 H new ATOM 0 HA HIS A 46 0.758 1.503 3.199 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.978 0.110 1.287 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.030 -0.827 2.371 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.039 0.985 -0.951 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.006 -0.479 -0.562 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.340 0.647 -2.145 1.00 0.00 H new ATOM 733 N GLU A 47 -1.717 3.020 1.803 1.00 0.00 N ATOM 734 CA GLU A 47 -2.164 4.303 1.240 1.00 0.00 C ATOM 735 C GLU A 47 -1.402 5.515 1.811 1.00 0.00 C ATOM 736 O GLU A 47 -1.229 6.522 1.122 1.00 0.00 O ATOM 737 CB GLU A 47 -3.657 4.505 1.565 1.00 0.00 C ATOM 738 CG GLU A 47 -4.614 3.403 1.078 1.00 0.00 C ATOM 739 CD GLU A 47 -4.714 3.265 -0.457 1.00 0.00 C ATOM 740 OE1 GLU A 47 -4.327 4.196 -1.205 1.00 0.00 O ATOM 741 OE2 GLU A 47 -5.234 2.223 -0.927 1.00 0.00 O ATOM 0 H GLU A 47 -2.490 2.473 2.182 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.975 4.253 0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.763 4.597 2.646 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.977 5.453 1.131 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.289 2.449 1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.609 3.603 1.476 1.00 0.00 H new ATOM 748 N TYR A 48 -0.941 5.429 3.066 1.00 0.00 N ATOM 749 CA TYR A 48 -0.180 6.488 3.738 1.00 0.00 C ATOM 750 C TYR A 48 1.284 6.561 3.278 1.00 0.00 C ATOM 751 O TYR A 48 1.970 7.532 3.595 1.00 0.00 O ATOM 752 CB TYR A 48 -0.174 6.250 5.257 1.00 0.00 C ATOM 753 CG TYR A 48 -1.490 6.161 6.016 1.00 0.00 C ATOM 754 CD1 TYR A 48 -1.422 5.838 7.384 1.00 0.00 C ATOM 755 CD2 TYR A 48 -2.747 6.397 5.417 1.00 0.00 C ATOM 756 CE1 TYR A 48 -2.593 5.742 8.153 1.00 0.00 C ATOM 757 CE2 TYR A 48 -3.926 6.274 6.178 1.00 0.00 C ATOM 758 CZ TYR A 48 -3.852 5.951 7.553 1.00 0.00 C ATOM 759 OH TYR A 48 -4.986 5.838 8.299 1.00 0.00 O ATOM 0 H TYR A 48 -1.090 4.607 3.652 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.675 7.424 3.478 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.369 5.322 5.438 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.408 7.053 5.709 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.462 5.663 7.846 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.804 6.672 4.374 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.529 5.508 9.205 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.888 6.427 5.711 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.768 6.014 7.735 1.00 0.00 H new ATOM 769 N PHE A 49 1.790 5.532 2.595 1.00 0.00 N ATOM 770 CA PHE A 49 3.208 5.347 2.290 1.00 0.00 C ATOM 771 C PHE A 49 3.595 5.707 0.849 1.00 0.00 C ATOM 772 O PHE A 49 2.782 5.705 -0.076 1.00 0.00 O ATOM 773 CB PHE A 49 3.625 3.911 2.640 1.00 0.00 C ATOM 774 CG PHE A 49 3.733 3.652 4.129 1.00 0.00 C ATOM 775 CD1 PHE A 49 2.591 3.329 4.887 1.00 0.00 C ATOM 776 CD2 PHE A 49 4.986 3.743 4.763 1.00 0.00 C ATOM 777 CE1 PHE A 49 2.699 3.103 6.270 1.00 0.00 C ATOM 778 CE2 PHE A 49 5.094 3.515 6.145 1.00 0.00 C ATOM 779 CZ PHE A 49 3.953 3.197 6.900 1.00 0.00 C ATOM 0 H PHE A 49 1.205 4.782 2.228 1.00 0.00 H new ATOM 0 HA PHE A 49 3.758 6.055 2.910 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.901 3.218 2.211 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.586 3.697 2.173 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.628 3.255 4.404 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.866 3.988 4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.820 2.858 6.848 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.057 3.584 6.628 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.038 3.025 7.963 1.00 0.00 H new ATOM 789 N ALA A 50 4.888 5.976 0.685 1.00 0.00 N ATOM 790 CA ALA A 50 5.601 6.141 -0.573 1.00 0.00 C ATOM 791 C ALA A 50 7.018 5.559 -0.450 1.00 0.00 C ATOM 792 O ALA A 50 7.610 5.526 0.633 1.00 0.00 O ATOM 793 CB ALA A 50 5.638 7.630 -0.947 1.00 0.00 C ATOM 0 H ALA A 50 5.507 6.092 1.488 1.00 0.00 H new ATOM 0 HA ALA A 50 5.085 5.601 -1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.172 7.755 -1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.620 8.004 -1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.149 8.189 -0.163 1.00 0.00 H new ATOM 799 N LEU A 51 7.562 5.089 -1.571 1.00 0.00 N ATOM 800 CA LEU A 51 8.983 4.772 -1.675 1.00 0.00 C ATOM 801 C LEU A 51 9.762 6.070 -1.925 1.00 0.00 C ATOM 802 O LEU A 51 9.229 7.040 -2.470 1.00 0.00 O ATOM 803 CB LEU A 51 9.204 3.728 -2.784 1.00 0.00 C ATOM 804 CG LEU A 51 8.935 2.287 -2.314 1.00 0.00 C ATOM 805 CD1 LEU A 51 8.842 1.356 -3.523 1.00 0.00 C ATOM 806 CD2 LEU A 51 10.056 1.781 -1.398 1.00 0.00 C ATOM 0 H LEU A 51 7.034 4.918 -2.427 1.00 0.00 H new ATOM 0 HA LEU A 51 9.351 4.333 -0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.552 3.957 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.230 3.801 -3.145 1.00 0.00 H new ATOM 0 HG LEU A 51 7.996 2.290 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.652 0.338 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.028 1.681 -4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.780 1.385 -4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.836 0.761 -1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.003 1.798 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.127 2.424 -0.521 1.00 0.00 H new ATOM 818 N GLN A 52 11.033 6.086 -1.541 1.00 0.00 N ATOM 819 CA GLN A 52 11.922 7.239 -1.668 1.00 0.00 C ATOM 820 C GLN A 52 13.348 6.767 -1.976 1.00 0.00 C ATOM 821 O GLN A 52 13.777 5.735 -1.467 1.00 0.00 O ATOM 822 CB GLN A 52 11.822 8.052 -0.366 1.00 0.00 C ATOM 823 CG GLN A 52 12.575 9.384 -0.386 1.00 0.00 C ATOM 824 CD GLN A 52 12.574 10.037 0.991 1.00 0.00 C ATOM 825 OE1 GLN A 52 13.363 9.703 1.865 1.00 0.00 O ATOM 826 NE2 GLN A 52 11.712 10.999 1.236 1.00 0.00 N ATOM 0 H GLN A 52 11.488 5.276 -1.121 1.00 0.00 H new ATOM 0 HA GLN A 52 11.631 7.883 -2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.771 8.247 -0.155 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.204 7.446 0.455 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.602 9.220 -0.713 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.113 10.055 -1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.050 11.286 0.515 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.706 11.458 2.147 1.00 0.00 H new ATOM 835 N HIS A 53 14.092 7.501 -2.801 1.00 0.00 N ATOM 836 CA HIS A 53 15.513 7.219 -3.070 1.00 0.00 C ATOM 837 C HIS A 53 16.382 7.431 -1.818 1.00 0.00 C ATOM 838 O HIS A 53 16.120 8.333 -1.019 1.00 0.00 O ATOM 839 CB HIS A 53 16.020 8.065 -4.249 1.00 0.00 C ATOM 840 CG HIS A 53 15.750 7.462 -5.608 1.00 0.00 C ATOM 841 ND1 HIS A 53 16.432 6.373 -6.156 1.00 0.00 N ATOM 842 CD2 HIS A 53 14.853 7.920 -6.527 1.00 0.00 C ATOM 843 CE1 HIS A 53 15.930 6.201 -7.391 1.00 0.00 C ATOM 844 NE2 HIS A 53 14.978 7.117 -7.640 1.00 0.00 N ATOM 0 H HIS A 53 13.732 8.311 -3.306 1.00 0.00 H new ATOM 0 HA HIS A 53 15.596 6.167 -3.344 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.554 9.049 -4.202 1.00 0.00 H new ATOM 0 HB3 HIS A 53 17.094 8.215 -4.138 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.175 8.752 -6.406 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.246 5.436 -8.084 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.441 7.203 -8.503 1.00 0.00 H new ATOM 930 N TYR A 60 11.065 11.391 -3.630 1.00 0.00 N ATOM 931 CA TYR A 60 9.931 10.455 -3.590 1.00 0.00 C ATOM 932 C TYR A 60 9.728 9.762 -4.947 1.00 0.00 C ATOM 933 O TYR A 60 9.868 10.381 -6.007 1.00 0.00 O ATOM 934 CB TYR A 60 8.641 11.171 -3.164 1.00 0.00 C ATOM 935 CG TYR A 60 8.644 11.698 -1.741 1.00 0.00 C ATOM 936 CD1 TYR A 60 8.746 13.081 -1.494 1.00 0.00 C ATOM 937 CD2 TYR A 60 8.503 10.799 -0.664 1.00 0.00 C ATOM 938 CE1 TYR A 60 8.711 13.569 -0.172 1.00 0.00 C ATOM 939 CE2 TYR A 60 8.464 11.285 0.658 1.00 0.00 C ATOM 940 CZ TYR A 60 8.578 12.670 0.909 1.00 0.00 C ATOM 941 OH TYR A 60 8.539 13.131 2.188 1.00 0.00 O ATOM 0 HA TYR A 60 10.167 9.691 -2.849 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.463 12.004 -3.844 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.805 10.481 -3.279 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.851 13.769 -2.320 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.425 9.738 -0.852 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.786 14.630 0.014 1.00 0.00 H new ATOM 0 HE2 TYR A 60 8.347 10.596 1.482 1.00 0.00 H new ATOM 0 HH TYR A 60 8.443 12.376 2.805 1.00 0.00 H new ATOM 951 N ILE A 61 9.366 8.479 -4.924 1.00 0.00 N ATOM 952 CA ILE A 61 9.011 7.704 -6.116 1.00 0.00 C ATOM 953 C ILE A 61 7.560 7.993 -6.520 1.00 0.00 C ATOM 954 O ILE A 61 6.660 8.060 -5.680 1.00 0.00 O ATOM 955 CB ILE A 61 9.284 6.201 -5.887 1.00 0.00 C ATOM 956 CG1 ILE A 61 10.751 5.918 -5.483 1.00 0.00 C ATOM 957 CG2 ILE A 61 8.911 5.364 -7.122 1.00 0.00 C ATOM 958 CD1 ILE A 61 11.822 6.499 -6.416 1.00 0.00 C ATOM 0 H ILE A 61 9.310 7.938 -4.061 1.00 0.00 H new ATOM 0 HA ILE A 61 9.641 8.010 -6.951 1.00 0.00 H new ATOM 0 HB ILE A 61 8.646 5.904 -5.054 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.915 6.314 -4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.891 4.839 -5.427 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.117 4.312 -6.924 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.851 5.492 -7.341 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.501 5.694 -7.977 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.812 6.241 -6.039 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.696 6.086 -7.417 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.720 7.584 -6.456 1.00 0.00 H new ATOM 970 N THR A 62 7.339 8.152 -7.824 1.00 0.00 N ATOM 971 CA THR A 62 6.052 8.471 -8.461 1.00 0.00 C ATOM 972 C THR A 62 5.955 7.747 -9.801 1.00 0.00 C ATOM 973 O THR A 62 6.958 7.265 -10.332 1.00 0.00 O ATOM 974 CB THR A 62 5.866 9.986 -8.699 1.00 0.00 C ATOM 975 OG1 THR A 62 6.650 10.405 -9.799 1.00 0.00 O ATOM 976 CG2 THR A 62 6.221 10.871 -7.505 1.00 0.00 C ATOM 0 H THR A 62 8.091 8.058 -8.506 1.00 0.00 H new ATOM 0 HA THR A 62 5.267 8.142 -7.780 1.00 0.00 H new ATOM 0 HB THR A 62 4.799 10.110 -8.884 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.524 11.366 -9.943 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.059 11.917 -7.766 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.590 10.607 -6.656 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.268 10.721 -7.240 1.00 0.00 H new ATOM 984 N GLU A 63 4.769 7.728 -10.408 1.00 0.00 N ATOM 985 CA GLU A 63 4.540 7.125 -11.730 1.00 0.00 C ATOM 986 C GLU A 63 5.305 7.809 -12.891 1.00 0.00 C ATOM 987 O GLU A 63 5.287 7.296 -14.012 1.00 0.00 O ATOM 988 CB GLU A 63 3.025 7.043 -11.985 1.00 0.00 C ATOM 989 CG GLU A 63 2.304 6.059 -11.039 1.00 0.00 C ATOM 990 CD GLU A 63 2.656 4.576 -11.267 1.00 0.00 C ATOM 991 OE1 GLU A 63 2.352 3.740 -10.387 1.00 0.00 O ATOM 992 OE2 GLU A 63 3.211 4.228 -12.338 1.00 0.00 O ATOM 0 H GLU A 63 3.929 8.134 -9.996 1.00 0.00 H new ATOM 0 HA GLU A 63 4.962 6.120 -11.710 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.589 8.035 -11.869 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.852 6.738 -13.017 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.546 6.322 -10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.228 6.186 -11.156 1.00 0.00 H new ATOM 999 N LYS A 64 6.025 8.916 -12.629 1.00 0.00 N ATOM 1000 CA LYS A 64 6.975 9.560 -13.561 1.00 0.00 C ATOM 1001 C LYS A 64 8.432 9.618 -13.057 1.00 0.00 C ATOM 1002 O LYS A 64 9.323 9.819 -13.879 1.00 0.00 O ATOM 1003 CB LYS A 64 6.464 10.961 -13.955 1.00 0.00 C ATOM 1004 CG LYS A 64 5.151 10.964 -14.764 1.00 0.00 C ATOM 1005 CD LYS A 64 5.199 10.263 -16.133 1.00 0.00 C ATOM 1006 CE LYS A 64 6.200 10.905 -17.105 1.00 0.00 C ATOM 1007 NZ LYS A 64 6.166 10.240 -18.435 1.00 0.00 N ATOM 0 H LYS A 64 5.961 9.404 -11.735 1.00 0.00 H new ATOM 0 HA LYS A 64 7.012 8.919 -14.442 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.317 11.548 -13.048 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.236 11.463 -14.538 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.376 10.489 -14.162 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.845 11.999 -14.919 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.463 9.215 -15.989 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.205 10.283 -16.579 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.970 11.964 -17.220 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.206 10.840 -16.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.853 10.696 -19.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.409 9.235 -18.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.212 10.324 -18.841 1.00 0.00 H new ATOM 1021 N ASN A 65 8.699 9.403 -11.761 1.00 0.00 N ATOM 1022 CA ASN A 65 10.060 9.289 -11.197 1.00 0.00 C ATOM 1023 C ASN A 65 10.606 7.845 -11.185 1.00 0.00 C ATOM 1024 O ASN A 65 11.823 7.642 -11.136 1.00 0.00 O ATOM 1025 CB ASN A 65 10.076 9.858 -9.763 1.00 0.00 C ATOM 1026 CG ASN A 65 9.922 11.367 -9.660 1.00 0.00 C ATOM 1027 OD1 ASN A 65 9.884 12.107 -10.634 1.00 0.00 O ATOM 1028 ND2 ASN A 65 9.864 11.877 -8.451 1.00 0.00 N ATOM 0 H ASN A 65 7.965 9.301 -11.060 1.00 0.00 H new ATOM 0 HA ASN A 65 10.715 9.865 -11.851 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.274 9.388 -9.195 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.014 9.572 -9.287 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.788 12.886 -8.326 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.895 11.264 -7.637 1.00 0.00 H new ATOM 1035 N ARG A 66 9.730 6.832 -11.215 1.00 0.00 N ATOM 1036 CA ARG A 66 10.079 5.400 -11.077 1.00 0.00 C ATOM 1037 C ARG A 66 11.049 4.852 -12.131 1.00 0.00 C ATOM 1038 O ARG A 66 11.700 3.840 -11.880 1.00 0.00 O ATOM 1039 CB ARG A 66 8.786 4.567 -11.023 1.00 0.00 C ATOM 1040 CG ARG A 66 7.938 4.649 -12.311 1.00 0.00 C ATOM 1041 CD ARG A 66 6.603 3.912 -12.172 1.00 0.00 C ATOM 1042 NE ARG A 66 6.791 2.483 -11.892 1.00 0.00 N ATOM 1043 CZ ARG A 66 5.846 1.610 -11.621 1.00 0.00 C ATOM 1044 NH1 ARG A 66 4.579 1.879 -11.697 1.00 0.00 N ATOM 1045 NH2 ARG A 66 6.158 0.408 -11.250 1.00 0.00 N ATOM 0 H ARG A 66 8.729 6.984 -11.339 1.00 0.00 H new ATOM 0 HA ARG A 66 10.635 5.314 -10.143 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.044 3.525 -10.835 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.183 4.904 -10.180 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.750 5.695 -12.554 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.501 4.224 -13.142 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.020 4.365 -11.370 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.027 4.029 -13.090 1.00 0.00 H new ATOM 0 HE ARG A 66 7.749 2.133 -11.909 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.271 2.810 -11.980 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.891 1.160 -11.474 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.138 0.138 -11.168 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.423 -0.268 -11.040 1.00 0.00 H new ATOM 1059 N ASN A 67 11.190 5.520 -13.277 1.00 0.00 N ATOM 1060 CA ASN A 67 12.155 5.169 -14.327 1.00 0.00 C ATOM 1061 C ASN A 67 13.626 5.293 -13.864 1.00 0.00 C ATOM 1062 O ASN A 67 14.506 4.647 -14.432 1.00 0.00 O ATOM 1063 CB ASN A 67 11.905 6.068 -15.555 1.00 0.00 C ATOM 1064 CG ASN A 67 12.428 7.480 -15.332 1.00 0.00 C ATOM 1065 OD1 ASN A 67 11.911 8.231 -14.520 1.00 0.00 O ATOM 1066 ND2 ASN A 67 13.510 7.852 -15.976 1.00 0.00 N ATOM 0 H ASN A 67 10.626 6.338 -13.509 1.00 0.00 H new ATOM 0 HA ASN A 67 12.002 4.120 -14.581 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.390 5.634 -16.429 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.837 6.105 -15.768 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.919 8.769 -15.798 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.941 7.224 -16.654 1.00 0.00 H new ATOM 1073 N GLU A 68 13.907 6.127 -12.853 1.00 0.00 N ATOM 1074 CA GLU A 68 15.258 6.326 -12.307 1.00 0.00 C ATOM 1075 C GLU A 68 15.736 5.150 -11.432 1.00 0.00 C ATOM 1076 O GLU A 68 16.935 5.023 -11.170 1.00 0.00 O ATOM 1077 CB GLU A 68 15.309 7.639 -11.503 1.00 0.00 C ATOM 1078 CG GLU A 68 14.954 8.904 -12.306 1.00 0.00 C ATOM 1079 CD GLU A 68 15.794 9.102 -13.587 1.00 0.00 C ATOM 1080 OE1 GLU A 68 17.005 8.773 -13.594 1.00 0.00 O ATOM 1081 OE2 GLU A 68 15.249 9.622 -14.593 1.00 0.00 O ATOM 0 H GLU A 68 13.195 6.689 -12.386 1.00 0.00 H new ATOM 0 HA GLU A 68 15.939 6.380 -13.157 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.624 7.558 -10.659 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.311 7.757 -11.091 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.900 8.862 -12.580 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.082 9.775 -11.664 1.00 0.00 H new ATOM 1088 N ILE A 69 14.821 4.277 -10.993 1.00 0.00 N ATOM 1089 CA ILE A 69 15.142 3.048 -10.264 1.00 0.00 C ATOM 1090 C ILE A 69 15.794 2.034 -11.214 1.00 0.00 C ATOM 1091 O ILE A 69 15.292 1.776 -12.312 1.00 0.00 O ATOM 1092 CB ILE A 69 13.885 2.439 -9.605 1.00 0.00 C ATOM 1093 CG1 ILE A 69 13.170 3.455 -8.681 1.00 0.00 C ATOM 1094 CG2 ILE A 69 14.280 1.174 -8.820 1.00 0.00 C ATOM 1095 CD1 ILE A 69 11.820 2.957 -8.152 1.00 0.00 C ATOM 0 H ILE A 69 13.820 4.409 -11.138 1.00 0.00 H new ATOM 0 HA ILE A 69 15.844 3.297 -9.468 1.00 0.00 H new ATOM 0 HB ILE A 69 13.180 2.173 -10.393 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.819 3.685 -7.836 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.016 4.385 -9.228 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.394 0.743 -8.354 1.00 0.00 H new ATOM 0 HG22 ILE A 69 14.722 0.447 -9.501 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.004 1.436 -8.049 1.00 0.00 H new ATOM 0 HD11 ILE A 69 11.376 3.720 -7.512 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.153 2.754 -8.990 1.00 0.00 H new ATOM 0 HD13 ILE A 69 11.969 2.043 -7.577 1.00 0.00 H new ATOM 1107 N LYS A 70 16.895 1.431 -10.761 1.00 0.00 N ATOM 1108 CA LYS A 70 17.695 0.434 -11.475 1.00 0.00 C ATOM 1109 C LYS A 70 17.951 -0.801 -10.606 1.00 0.00 C ATOM 1110 O LYS A 70 17.654 -0.814 -9.410 1.00 0.00 O ATOM 1111 CB LYS A 70 19.010 1.102 -11.923 1.00 0.00 C ATOM 1112 CG LYS A 70 18.771 2.251 -12.921 1.00 0.00 C ATOM 1113 CD LYS A 70 20.056 3.015 -13.276 1.00 0.00 C ATOM 1114 CE LYS A 70 20.596 3.867 -12.113 1.00 0.00 C ATOM 1115 NZ LYS A 70 19.726 5.037 -11.809 1.00 0.00 N ATOM 0 H LYS A 70 17.273 1.636 -9.836 1.00 0.00 H new ATOM 0 HA LYS A 70 17.152 0.081 -12.351 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.536 1.486 -11.049 1.00 0.00 H new ATOM 0 HB3 LYS A 70 19.657 0.354 -12.381 1.00 0.00 H new ATOM 0 HG2 LYS A 70 18.331 1.847 -13.833 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.046 2.947 -12.499 1.00 0.00 H new ATOM 0 HD2 LYS A 70 20.822 2.302 -13.582 1.00 0.00 H new ATOM 0 HD3 LYS A 70 19.862 3.661 -14.132 1.00 0.00 H new ATOM 0 HE2 LYS A 70 20.686 3.245 -11.223 1.00 0.00 H new ATOM 0 HE3 LYS A 70 21.598 4.218 -12.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.143 5.587 -11.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.646 5.639 -12.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.781 4.704 -11.530 1.00 0.00 H new ATOM 1129 N ASN A 71 18.515 -1.850 -11.203 1.00 0.00 N ATOM 1130 CA ASN A 71 18.971 -3.029 -10.468 1.00 0.00 C ATOM 1131 C ASN A 71 20.053 -2.634 -9.439 1.00 0.00 C ATOM 1132 O ASN A 71 21.090 -2.066 -9.793 1.00 0.00 O ATOM 1133 CB ASN A 71 19.441 -4.123 -11.449 1.00 0.00 C ATOM 1134 CG ASN A 71 20.561 -3.690 -12.389 1.00 0.00 C ATOM 1135 OD1 ASN A 71 20.409 -2.792 -13.207 1.00 0.00 O ATOM 1136 ND2 ASN A 71 21.712 -4.323 -12.326 1.00 0.00 N ATOM 0 H ASN A 71 18.669 -1.907 -12.210 1.00 0.00 H new ATOM 0 HA ASN A 71 18.141 -3.452 -9.902 1.00 0.00 H new ATOM 0 HB2 ASN A 71 19.778 -4.987 -10.876 1.00 0.00 H new ATOM 0 HB3 ASN A 71 18.589 -4.449 -12.045 1.00 0.00 H new ATOM 0 HD21 ASN A 71 22.471 -4.065 -12.956 1.00 0.00 H new ATOM 0 HD22 ASN A 71 21.846 -5.072 -11.647 1.00 0.00 H new ATOM 1143 N GLY A 72 19.796 -2.915 -8.160 1.00 0.00 N ATOM 1144 CA GLY A 72 20.649 -2.532 -7.030 1.00 0.00 C ATOM 1145 C GLY A 72 20.413 -1.118 -6.473 1.00 0.00 C ATOM 1146 O GLY A 72 21.190 -0.681 -5.620 1.00 0.00 O ATOM 0 H GLY A 72 18.964 -3.431 -7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.500 -3.251 -6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.691 -2.613 -7.340 1.00 0.00 H new ATOM 1150 N THR A 73 19.367 -0.395 -6.904 1.00 0.00 N ATOM 1151 CA THR A 73 18.990 0.904 -6.310 1.00 0.00 C ATOM 1152 C THR A 73 18.581 0.727 -4.844 1.00 0.00 C ATOM 1153 O THR A 73 17.758 -0.140 -4.529 1.00 0.00 O ATOM 1154 CB THR A 73 17.869 1.597 -7.106 1.00 0.00 C ATOM 1155 OG1 THR A 73 18.369 2.054 -8.345 1.00 0.00 O ATOM 1156 CG2 THR A 73 17.261 2.829 -6.432 1.00 0.00 C ATOM 0 H THR A 73 18.760 -0.689 -7.669 1.00 0.00 H new ATOM 0 HA THR A 73 19.867 1.550 -6.355 1.00 0.00 H new ATOM 0 HB THR A 73 17.097 0.832 -7.196 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.988 2.934 -8.547 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.482 3.245 -7.070 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.830 2.543 -5.472 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.038 3.577 -6.273 1.00 0.00 H new ATOM 1164 N ILE A 74 19.136 1.548 -3.946 1.00 0.00 N ATOM 1165 CA ILE A 74 18.737 1.588 -2.535 1.00 0.00 C ATOM 1166 C ILE A 74 17.637 2.638 -2.346 1.00 0.00 C ATOM 1167 O ILE A 74 17.811 3.820 -2.667 1.00 0.00 O ATOM 1168 CB ILE A 74 19.924 1.821 -1.575 1.00 0.00 C ATOM 1169 CG1 ILE A 74 21.115 0.881 -1.886 1.00 0.00 C ATOM 1170 CG2 ILE A 74 19.460 1.630 -0.117 1.00 0.00 C ATOM 1171 CD1 ILE A 74 22.403 1.266 -1.155 1.00 0.00 C ATOM 0 H ILE A 74 19.879 2.207 -4.179 1.00 0.00 H new ATOM 0 HA ILE A 74 18.345 0.606 -2.272 1.00 0.00 H new ATOM 0 HB ILE A 74 20.273 2.844 -1.718 1.00 0.00 H new ATOM 0 HG12 ILE A 74 20.843 -0.139 -1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 74 21.301 0.886 -2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 74 20.301 1.795 0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.668 2.344 0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.083 0.616 0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 74 23.195 0.565 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 74 22.699 2.274 -1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 74 22.234 1.233 -0.079 1.00 0.00 H new ATOM 1183 N LEU A 75 16.509 2.193 -1.804 1.00 0.00 N ATOM 1184 CA LEU A 75 15.333 2.989 -1.468 1.00 0.00 C ATOM 1185 C LEU A 75 15.097 3.007 0.053 1.00 0.00 C ATOM 1186 O LEU A 75 15.745 2.289 0.815 1.00 0.00 O ATOM 1187 CB LEU A 75 14.104 2.418 -2.210 1.00 0.00 C ATOM 1188 CG LEU A 75 14.215 2.331 -3.744 1.00 0.00 C ATOM 1189 CD1 LEU A 75 12.952 1.692 -4.318 1.00 0.00 C ATOM 1190 CD2 LEU A 75 14.376 3.706 -4.391 1.00 0.00 C ATOM 0 H LEU A 75 16.383 1.207 -1.573 1.00 0.00 H new ATOM 0 HA LEU A 75 15.496 4.019 -1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.905 1.418 -1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.239 3.033 -1.964 1.00 0.00 H new ATOM 0 HG LEU A 75 15.099 1.732 -3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.035 1.633 -5.403 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.833 0.689 -3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.085 2.298 -4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.450 3.593 -5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.512 4.325 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.281 4.182 -4.013 1.00 0.00 H new ATOM 1202 N ARG A 76 14.121 3.798 0.492 1.00 0.00 N ATOM 1203 CA ARG A 76 13.606 3.889 1.860 1.00 0.00 C ATOM 1204 C ARG A 76 12.079 3.968 1.833 1.00 0.00 C ATOM 1205 O ARG A 76 11.514 4.700 1.018 1.00 0.00 O ATOM 1206 CB ARG A 76 14.261 5.112 2.522 1.00 0.00 C ATOM 1207 CG ARG A 76 13.903 5.256 4.006 1.00 0.00 C ATOM 1208 CD ARG A 76 14.653 6.415 4.675 1.00 0.00 C ATOM 1209 NE ARG A 76 16.115 6.203 4.705 1.00 0.00 N ATOM 1210 CZ ARG A 76 17.034 7.054 5.119 1.00 0.00 C ATOM 1211 NH1 ARG A 76 18.281 6.703 5.054 1.00 0.00 N ATOM 1212 NH2 ARG A 76 16.746 8.233 5.596 1.00 0.00 N ATOM 0 H ARG A 76 13.635 4.436 -0.139 1.00 0.00 H new ATOM 0 HA ARG A 76 13.855 3.005 2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.344 5.036 2.421 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.954 6.013 1.991 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.829 5.416 4.105 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.136 4.327 4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.435 7.340 4.142 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.287 6.540 5.694 1.00 0.00 H new ATOM 0 HE ARG A 76 16.450 5.300 4.369 1.00 0.00 H new ATOM 0 HH11 ARG A 76 18.534 5.785 4.688 1.00 0.00 H new ATOM 0 HH12 ARG A 76 19.009 7.345 5.369 1.00 0.00 H new ATOM 0 HH21 ARG A 76 15.773 8.533 5.662 1.00 0.00 H new ATOM 0 HH22 ARG A 76 17.493 8.855 5.903 1.00 0.00 H new ATOM 1226 N LEU A 77 11.409 3.222 2.710 1.00 0.00 N ATOM 1227 CA LEU A 77 9.968 3.355 2.943 1.00 0.00 C ATOM 1228 C LEU A 77 9.692 4.559 3.859 1.00 0.00 C ATOM 1229 O LEU A 77 10.392 4.763 4.853 1.00 0.00 O ATOM 1230 CB LEU A 77 9.426 2.035 3.518 1.00 0.00 C ATOM 1231 CG LEU A 77 7.926 2.035 3.840 1.00 0.00 C ATOM 1232 CD1 LEU A 77 7.097 2.119 2.554 1.00 0.00 C ATOM 1233 CD2 LEU A 77 7.534 0.757 4.568 1.00 0.00 C ATOM 0 H LEU A 77 11.851 2.504 3.283 1.00 0.00 H new ATOM 0 HA LEU A 77 9.446 3.547 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.629 1.235 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.978 1.799 4.428 1.00 0.00 H new ATOM 0 HG LEU A 77 7.728 2.902 4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.036 2.118 2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.343 3.038 2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.321 1.261 1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.467 0.776 4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.760 -0.104 3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.095 0.682 5.500 1.00 0.00 H new ATOM 1245 N THR A 78 8.678 5.359 3.536 1.00 0.00 N ATOM 1246 CA THR A 78 8.349 6.592 4.269 1.00 0.00 C ATOM 1247 C THR A 78 6.867 6.954 4.101 1.00 0.00 C ATOM 1248 O THR A 78 6.269 6.657 3.067 1.00 0.00 O ATOM 1249 CB THR A 78 9.295 7.726 3.813 1.00 0.00 C ATOM 1250 OG1 THR A 78 8.982 8.941 4.460 1.00 0.00 O ATOM 1251 CG2 THR A 78 9.293 7.994 2.302 1.00 0.00 C ATOM 0 H THR A 78 8.053 5.173 2.752 1.00 0.00 H new ATOM 0 HA THR A 78 8.503 6.436 5.337 1.00 0.00 H new ATOM 0 HB THR A 78 10.287 7.368 4.088 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.596 9.641 4.155 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.985 8.805 2.075 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.603 7.093 1.772 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.289 8.275 1.984 1.00 0.00 H new ATOM 1259 N THR A 79 6.234 7.563 5.109 1.00 0.00 N ATOM 1260 CA THR A 79 4.873 8.110 4.957 1.00 0.00 C ATOM 1261 C THR A 79 4.892 9.363 4.068 1.00 0.00 C ATOM 1262 O THR A 79 5.710 10.267 4.255 1.00 0.00 O ATOM 1263 CB THR A 79 4.176 8.368 6.302 1.00 0.00 C ATOM 1264 OG1 THR A 79 5.005 9.084 7.197 1.00 0.00 O ATOM 1265 CG2 THR A 79 3.731 7.068 6.980 1.00 0.00 C ATOM 0 H THR A 79 6.637 7.692 6.037 1.00 0.00 H new ATOM 0 HA THR A 79 4.273 7.348 4.459 1.00 0.00 H new ATOM 0 HB THR A 79 3.296 8.967 6.067 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.527 9.230 8.040 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.244 7.300 7.927 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.032 6.540 6.332 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.601 6.438 7.165 1.00 0.00 H new ATOM 1273 N SER A 80 4.006 9.407 3.072 1.00 0.00 N ATOM 1274 CA SER A 80 4.013 10.383 1.974 1.00 0.00 C ATOM 1275 C SER A 80 3.562 11.801 2.380 1.00 0.00 C ATOM 1276 O SER A 80 2.812 11.970 3.349 1.00 0.00 O ATOM 1277 CB SER A 80 3.131 9.849 0.834 1.00 0.00 C ATOM 1278 OG SER A 80 1.754 9.954 1.151 1.00 0.00 O ATOM 0 H SER A 80 3.236 8.742 3.002 1.00 0.00 H new ATOM 0 HA SER A 80 5.049 10.493 1.654 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.339 10.406 -0.080 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.382 8.807 0.636 1.00 0.00 H new ATOM 0 HG SER A 80 1.220 9.608 0.406 1.00 0.00 H new