USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=14 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 45 ASN : amide:sc= 0.598 K(o=1,f=0.36) USER MOD Set 1.2: A 48 TYR OH : rot 180:sc= 0.438 USER MOD Set 2.1: A 31 SER OG : rot 180:sc= 0.418 USER MOD Set 2.2: A 46 HIS : no HD1:sc= 0.32 K(o=0.74,f=-2.9!) USER MOD Single : A 9 LYS NZ :NH3+ -153:sc= 1.18 (180deg=0.709) 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 -170:sc= 0 (180deg=-0.0743) USER MOD Single : A 26 GLN : amide:sc= 1.22 K(o=1.2,f=-5.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -150:sc= 1.01 (180deg=0.56) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -131:sc= 0.145 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.0735 X(o=-0.073,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0546 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.911 K(o=0.91,f=-11!) USER MOD Single : A 67 ASN : amide:sc= 0.484 K(o=0.48,f=-0.57) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.673 K(o=0.67,f=-3.3!) USER MOD Single : A 73 THR OG1 : rot 59:sc= 1.72 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 11.520 -5.602 -14.933 1.00 0.00 N ATOM 92 CA ILE A 7 11.599 -5.869 -13.489 1.00 0.00 C ATOM 93 C ILE A 7 13.034 -5.658 -12.980 1.00 0.00 C ATOM 94 O ILE A 7 13.994 -6.114 -13.608 1.00 0.00 O ATOM 95 CB ILE A 7 11.061 -7.286 -13.157 1.00 0.00 C ATOM 96 CG1 ILE A 7 9.659 -7.533 -13.770 1.00 0.00 C ATOM 97 CG2 ILE A 7 11.042 -7.502 -11.634 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.047 -8.907 -13.474 1.00 0.00 C ATOM 0 HA ILE A 7 10.961 -5.157 -12.966 1.00 0.00 H new ATOM 0 HB ILE A 7 11.737 -8.013 -13.608 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.979 -6.764 -13.402 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.726 -7.409 -14.851 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.663 -8.500 -11.413 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.053 -7.403 -11.240 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.396 -6.757 -11.169 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.068 -8.979 -13.947 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.698 -9.688 -13.867 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.940 -9.033 -12.397 1.00 0.00 H new ATOM 110 N VAL A 8 13.181 -4.984 -11.833 1.00 0.00 N ATOM 111 CA VAL A 8 14.470 -4.623 -11.212 1.00 0.00 C ATOM 112 C VAL A 8 14.482 -4.918 -9.708 1.00 0.00 C ATOM 113 O VAL A 8 13.544 -4.568 -8.992 1.00 0.00 O ATOM 114 CB VAL A 8 14.829 -3.144 -11.480 1.00 0.00 C ATOM 115 CG1 VAL A 8 15.223 -2.929 -12.946 1.00 0.00 C ATOM 116 CG2 VAL A 8 13.730 -2.134 -11.122 1.00 0.00 C ATOM 0 H VAL A 8 12.380 -4.662 -11.289 1.00 0.00 H new ATOM 0 HA VAL A 8 15.232 -5.248 -11.677 1.00 0.00 H new ATOM 0 HB VAL A 8 15.669 -2.951 -10.812 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.470 -1.880 -13.106 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.089 -3.547 -13.184 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.390 -3.208 -13.591 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.076 -1.125 -11.346 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.835 -2.348 -11.706 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.497 -2.211 -10.060 1.00 0.00 H new ATOM 126 N LYS A 9 15.550 -5.554 -9.211 1.00 0.00 N ATOM 127 CA LYS A 9 15.764 -5.814 -7.775 1.00 0.00 C ATOM 128 C LYS A 9 16.187 -4.533 -7.048 1.00 0.00 C ATOM 129 O LYS A 9 16.966 -3.747 -7.589 1.00 0.00 O ATOM 130 CB LYS A 9 16.791 -6.950 -7.608 1.00 0.00 C ATOM 131 CG LYS A 9 16.747 -7.591 -6.208 1.00 0.00 C ATOM 132 CD LYS A 9 17.887 -8.598 -5.973 1.00 0.00 C ATOM 133 CE LYS A 9 17.948 -9.779 -6.957 1.00 0.00 C ATOM 134 NZ LYS A 9 16.831 -10.746 -6.784 1.00 0.00 N ATOM 0 H LYS A 9 16.303 -5.909 -9.801 1.00 0.00 H new ATOM 0 HA LYS A 9 14.829 -6.136 -7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.604 -7.717 -8.360 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.792 -6.559 -7.793 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.801 -6.807 -5.453 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.790 -8.096 -6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 9 18.835 -8.062 -6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.793 -8.996 -4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 9 17.932 -9.395 -7.977 1.00 0.00 H new ATOM 0 HE3 LYS A 9 18.896 -10.302 -6.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 17.135 -11.688 -7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.563 -10.791 -5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.013 -10.436 -7.347 1.00 0.00 H new ATOM 148 N VAL A 10 15.709 -4.335 -5.822 1.00 0.00 N ATOM 149 CA VAL A 10 15.988 -3.167 -4.965 1.00 0.00 C ATOM 150 C VAL A 10 16.149 -3.581 -3.498 1.00 0.00 C ATOM 151 O VAL A 10 15.621 -4.612 -3.077 1.00 0.00 O ATOM 152 CB VAL A 10 14.891 -2.085 -5.097 1.00 0.00 C ATOM 153 CG1 VAL A 10 14.797 -1.535 -6.526 1.00 0.00 C ATOM 154 CG2 VAL A 10 13.502 -2.575 -4.663 1.00 0.00 C ATOM 0 H VAL A 10 15.089 -5.008 -5.372 1.00 0.00 H new ATOM 0 HA VAL A 10 16.929 -2.738 -5.310 1.00 0.00 H new ATOM 0 HB VAL A 10 15.200 -1.290 -4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.014 -0.778 -6.574 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.751 -1.089 -6.808 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.559 -2.347 -7.213 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.779 -1.768 -4.780 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.205 -3.421 -5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.535 -2.884 -3.618 1.00 0.00 H new ATOM 164 N ALA A 11 16.851 -2.759 -2.714 1.00 0.00 N ATOM 165 CA ALA A 11 16.966 -2.900 -1.259 1.00 0.00 C ATOM 166 C ALA A 11 16.345 -1.682 -0.555 1.00 0.00 C ATOM 167 O ALA A 11 16.720 -0.548 -0.848 1.00 0.00 O ATOM 168 CB ALA A 11 18.441 -3.088 -0.882 1.00 0.00 C ATOM 0 H ALA A 11 17.367 -1.959 -3.081 1.00 0.00 H new ATOM 0 HA ALA A 11 16.415 -3.780 -0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.530 -3.193 0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.829 -3.984 -1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 11 19.014 -2.221 -1.210 1.00 0.00 H new ATOM 174 N ILE A 12 15.392 -1.901 0.353 1.00 0.00 N ATOM 175 CA ILE A 12 14.563 -0.846 0.957 1.00 0.00 C ATOM 176 C ILE A 12 14.884 -0.689 2.444 1.00 0.00 C ATOM 177 O ILE A 12 14.768 -1.638 3.217 1.00 0.00 O ATOM 178 CB ILE A 12 13.061 -1.121 0.732 1.00 0.00 C ATOM 179 CG1 ILE A 12 12.748 -1.333 -0.767 1.00 0.00 C ATOM 180 CG2 ILE A 12 12.207 0.038 1.295 1.00 0.00 C ATOM 181 CD1 ILE A 12 11.378 -1.959 -0.988 1.00 0.00 C ATOM 0 H ILE A 12 15.167 -2.834 0.699 1.00 0.00 H new ATOM 0 HA ILE A 12 14.801 0.096 0.463 1.00 0.00 H new ATOM 0 HB ILE A 12 12.808 -2.038 1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.795 -0.375 -1.285 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.513 -1.972 -1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.151 -0.173 1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.391 0.140 2.364 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.476 0.966 0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.205 -2.088 -2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.338 -2.930 -0.494 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.609 -1.308 -0.572 1.00 0.00 H new ATOM 193 N GLU A 13 15.250 0.519 2.851 1.00 0.00 N ATOM 194 CA GLU A 13 15.479 0.909 4.248 1.00 0.00 C ATOM 195 C GLU A 13 14.170 1.196 5.011 1.00 0.00 C ATOM 196 O GLU A 13 13.236 1.793 4.467 1.00 0.00 O ATOM 197 CB GLU A 13 16.375 2.157 4.302 1.00 0.00 C ATOM 198 CG GLU A 13 17.811 1.915 3.817 1.00 0.00 C ATOM 199 CD GLU A 13 18.721 3.140 4.050 1.00 0.00 C ATOM 200 OE1 GLU A 13 19.964 2.974 4.046 1.00 0.00 O ATOM 201 OE2 GLU A 13 18.212 4.273 4.241 1.00 0.00 O ATOM 0 H GLU A 13 15.403 1.287 2.198 1.00 0.00 H new ATOM 0 HA GLU A 13 15.966 0.064 4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.924 2.942 3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.406 2.526 5.327 1.00 0.00 H new ATOM 0 HG2 GLU A 13 18.227 1.052 4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 13 17.797 1.672 2.755 1.00 0.00 H new ATOM 208 N TRP A 14 14.139 0.842 6.300 1.00 0.00 N ATOM 209 CA TRP A 14 13.090 1.203 7.266 1.00 0.00 C ATOM 210 C TRP A 14 13.657 1.190 8.707 1.00 0.00 C ATOM 211 O TRP A 14 14.506 0.338 8.996 1.00 0.00 O ATOM 212 CB TRP A 14 11.905 0.237 7.121 1.00 0.00 C ATOM 213 CG TRP A 14 10.762 0.460 8.062 1.00 0.00 C ATOM 214 CD1 TRP A 14 10.439 -0.335 9.104 1.00 0.00 C ATOM 215 CD2 TRP A 14 9.806 1.564 8.095 1.00 0.00 C ATOM 216 NE1 TRP A 14 9.348 0.186 9.771 1.00 0.00 N ATOM 217 CE2 TRP A 14 8.929 1.372 9.206 1.00 0.00 C ATOM 218 CE3 TRP A 14 9.633 2.743 7.337 1.00 0.00 C ATOM 219 CZ2 TRP A 14 7.926 2.294 9.541 1.00 0.00 C ATOM 220 CZ3 TRP A 14 8.636 3.680 7.668 1.00 0.00 C ATOM 221 CH2 TRP A 14 7.783 3.458 8.766 1.00 0.00 C ATOM 0 H TRP A 14 14.874 0.272 6.719 1.00 0.00 H new ATOM 0 HA TRP A 14 12.738 2.214 7.061 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.529 0.304 6.100 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.271 -0.780 7.259 1.00 0.00 H new ATOM 0 HD1 TRP A 14 10.957 -1.243 9.375 1.00 0.00 H new ATOM 0 HE1 TRP A 14 8.907 -0.252 10.580 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.276 2.929 6.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.273 2.112 10.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.525 4.576 7.075 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.020 4.181 9.012 1.00 0.00 H new ATOM 232 N PRO A 15 13.252 2.098 9.623 1.00 0.00 N ATOM 233 CA PRO A 15 13.860 2.203 10.954 1.00 0.00 C ATOM 234 C PRO A 15 13.658 0.952 11.823 1.00 0.00 C ATOM 235 O PRO A 15 12.593 0.330 11.814 1.00 0.00 O ATOM 236 CB PRO A 15 13.252 3.453 11.605 1.00 0.00 C ATOM 237 CG PRO A 15 12.809 4.289 10.408 1.00 0.00 C ATOM 238 CD PRO A 15 12.333 3.211 9.440 1.00 0.00 C ATOM 0 HA PRO A 15 14.943 2.285 10.859 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.413 3.202 12.253 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.981 3.983 12.218 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.013 4.987 10.668 1.00 0.00 H new ATOM 0 HG3 PRO A 15 13.627 4.878 9.995 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.307 2.913 9.656 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.351 3.571 8.411 1.00 0.00 H new ATOM 246 N GLY A 16 14.685 0.590 12.600 1.00 0.00 N ATOM 247 CA GLY A 16 14.661 -0.563 13.513 1.00 0.00 C ATOM 248 C GLY A 16 14.677 -1.943 12.833 1.00 0.00 C ATOM 249 O GLY A 16 14.420 -2.948 13.501 1.00 0.00 O ATOM 0 H GLY A 16 15.570 1.096 12.614 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.521 -0.495 14.180 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.769 -0.494 14.135 1.00 0.00 H new ATOM 253 N ALA A 17 14.965 -2.010 11.527 1.00 0.00 N ATOM 254 CA ALA A 17 14.969 -3.236 10.723 1.00 0.00 C ATOM 255 C ALA A 17 16.122 -3.269 9.701 1.00 0.00 C ATOM 256 O ALA A 17 16.619 -2.229 9.255 1.00 0.00 O ATOM 257 CB ALA A 17 13.605 -3.372 10.030 1.00 0.00 C ATOM 0 H ALA A 17 15.210 -1.182 10.983 1.00 0.00 H new ATOM 0 HA ALA A 17 15.136 -4.086 11.385 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.592 -4.280 9.427 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.818 -3.425 10.783 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.435 -2.508 9.388 1.00 0.00 H new ATOM 263 N TYR A 18 16.533 -4.477 9.304 1.00 0.00 N ATOM 264 CA TYR A 18 17.463 -4.695 8.190 1.00 0.00 C ATOM 265 C TYR A 18 16.796 -4.368 6.833 1.00 0.00 C ATOM 266 O TYR A 18 15.573 -4.523 6.713 1.00 0.00 O ATOM 267 CB TYR A 18 17.966 -6.145 8.213 1.00 0.00 C ATOM 268 CG TYR A 18 18.677 -6.536 9.498 1.00 0.00 C ATOM 269 CD1 TYR A 18 18.032 -7.355 10.448 1.00 0.00 C ATOM 270 CD2 TYR A 18 19.984 -6.070 9.745 1.00 0.00 C ATOM 271 CE1 TYR A 18 18.692 -7.702 11.643 1.00 0.00 C ATOM 272 CE2 TYR A 18 20.646 -6.415 10.940 1.00 0.00 C ATOM 273 CZ TYR A 18 20.000 -7.232 11.894 1.00 0.00 C ATOM 274 OH TYR A 18 20.629 -7.573 13.054 1.00 0.00 O ATOM 0 H TYR A 18 16.227 -5.341 9.751 1.00 0.00 H new ATOM 0 HA TYR A 18 18.312 -4.022 8.309 1.00 0.00 H new ATOM 0 HB2 TYR A 18 17.119 -6.814 8.061 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.646 -6.296 7.374 1.00 0.00 H new ATOM 0 HD1 TYR A 18 17.032 -7.716 10.259 1.00 0.00 H new ATOM 0 HD2 TYR A 18 20.480 -5.446 9.016 1.00 0.00 H new ATOM 0 HE1 TYR A 18 18.196 -8.329 12.369 1.00 0.00 H new ATOM 0 HE2 TYR A 18 21.647 -6.055 11.126 1.00 0.00 H new ATOM 0 HH TYR A 18 21.522 -7.170 13.072 1.00 0.00 H new ATOM 284 N PRO A 19 17.552 -3.949 5.796 1.00 0.00 N ATOM 285 CA PRO A 19 16.979 -3.603 4.494 1.00 0.00 C ATOM 286 C PRO A 19 16.220 -4.767 3.832 1.00 0.00 C ATOM 287 O PRO A 19 16.741 -5.881 3.719 1.00 0.00 O ATOM 288 CB PRO A 19 18.143 -3.113 3.626 1.00 0.00 C ATOM 289 CG PRO A 19 19.150 -2.609 4.658 1.00 0.00 C ATOM 290 CD PRO A 19 18.964 -3.588 5.818 1.00 0.00 C ATOM 0 HA PRO A 19 16.222 -2.829 4.617 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.557 -3.915 3.016 1.00 0.00 H new ATOM 0 HB3 PRO A 19 17.833 -2.321 2.944 1.00 0.00 H new ATOM 0 HG2 PRO A 19 20.169 -2.628 4.272 1.00 0.00 H new ATOM 0 HG3 PRO A 19 18.942 -1.582 4.958 1.00 0.00 H new ATOM 0 HD2 PRO A 19 19.596 -4.467 5.695 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.237 -3.129 6.768 1.00 0.00 H new ATOM 298 N LYS A 20 14.991 -4.503 3.370 1.00 0.00 N ATOM 299 CA LYS A 20 14.144 -5.469 2.652 1.00 0.00 C ATOM 300 C LYS A 20 14.560 -5.564 1.186 1.00 0.00 C ATOM 301 O LYS A 20 14.454 -4.584 0.450 1.00 0.00 O ATOM 302 CB LYS A 20 12.664 -5.067 2.807 1.00 0.00 C ATOM 303 CG LYS A 20 11.707 -5.862 1.902 1.00 0.00 C ATOM 304 CD LYS A 20 10.241 -5.575 2.255 1.00 0.00 C ATOM 305 CE LYS A 20 9.255 -6.158 1.228 1.00 0.00 C ATOM 306 NZ LYS A 20 9.345 -7.639 1.103 1.00 0.00 N ATOM 0 H LYS A 20 14.547 -3.592 3.487 1.00 0.00 H new ATOM 0 HA LYS A 20 14.274 -6.461 3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.366 -5.206 3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.560 -4.005 2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.890 -5.603 0.859 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.906 -6.929 2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.021 -5.990 3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.093 -4.497 2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.239 -5.885 1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.445 -5.706 0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.657 -7.970 0.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.305 -7.904 0.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.136 -8.078 2.022 1.00 0.00 H new ATOM 320 N LEU A 21 14.999 -6.743 0.752 1.00 0.00 N ATOM 321 CA LEU A 21 15.196 -7.052 -0.666 1.00 0.00 C ATOM 322 C LEU A 21 13.841 -7.391 -1.306 1.00 0.00 C ATOM 323 O LEU A 21 13.090 -8.215 -0.777 1.00 0.00 O ATOM 324 CB LEU A 21 16.195 -8.213 -0.825 1.00 0.00 C ATOM 325 CG LEU A 21 17.652 -7.839 -0.490 1.00 0.00 C ATOM 326 CD1 LEU A 21 18.502 -9.105 -0.373 1.00 0.00 C ATOM 327 CD2 LEU A 21 18.274 -6.956 -1.574 1.00 0.00 C ATOM 0 H LEU A 21 15.230 -7.516 1.376 1.00 0.00 H new ATOM 0 HA LEU A 21 15.614 -6.184 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 21 15.885 -9.036 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.151 -8.578 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 21 17.633 -7.291 0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.530 -8.832 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.103 -9.739 0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.479 -9.647 -1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.301 -6.714 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.267 -7.488 -2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.697 -6.036 -1.669 1.00 0.00 H new ATOM 339 N MET A 22 13.533 -6.774 -2.448 1.00 0.00 N ATOM 340 CA MET A 22 12.367 -7.104 -3.279 1.00 0.00 C ATOM 341 C MET A 22 12.602 -6.715 -4.747 1.00 0.00 C ATOM 342 O MET A 22 13.654 -6.180 -5.094 1.00 0.00 O ATOM 343 CB MET A 22 11.090 -6.463 -2.699 1.00 0.00 C ATOM 344 CG MET A 22 10.930 -4.962 -2.948 1.00 0.00 C ATOM 345 SD MET A 22 9.315 -4.341 -2.403 1.00 0.00 S ATOM 346 CE MET A 22 8.224 -4.960 -3.714 1.00 0.00 C ATOM 0 H MET A 22 14.097 -6.015 -2.831 1.00 0.00 H new ATOM 0 HA MET A 22 12.224 -8.184 -3.263 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.225 -6.977 -3.118 1.00 0.00 H new ATOM 0 HB3 MET A 22 11.074 -6.638 -1.623 1.00 0.00 H new ATOM 0 HG2 MET A 22 11.719 -4.423 -2.424 1.00 0.00 H new ATOM 0 HG3 MET A 22 11.055 -4.757 -4.011 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.237 -4.509 -3.609 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.640 -4.699 -4.687 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.138 -6.044 -3.635 1.00 0.00 H new ATOM 356 N GLU A 23 11.624 -6.969 -5.616 1.00 0.00 N ATOM 357 CA GLU A 23 11.681 -6.629 -7.043 1.00 0.00 C ATOM 358 C GLU A 23 10.519 -5.716 -7.457 1.00 0.00 C ATOM 359 O GLU A 23 9.346 -6.028 -7.233 1.00 0.00 O ATOM 360 CB GLU A 23 11.750 -7.913 -7.886 1.00 0.00 C ATOM 361 CG GLU A 23 13.184 -8.468 -7.901 1.00 0.00 C ATOM 362 CD GLU A 23 13.304 -9.940 -8.332 1.00 0.00 C ATOM 363 OE1 GLU A 23 14.331 -10.562 -7.965 1.00 0.00 O ATOM 364 OE2 GLU A 23 12.415 -10.478 -9.036 1.00 0.00 O ATOM 0 H GLU A 23 10.753 -7.425 -5.346 1.00 0.00 H new ATOM 0 HA GLU A 23 12.590 -6.058 -7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.068 -8.660 -7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.423 -7.705 -8.905 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.787 -7.857 -8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.610 -8.361 -6.904 1.00 0.00 H new ATOM 371 N ILE A 24 10.862 -4.577 -8.065 1.00 0.00 N ATOM 372 CA ILE A 24 9.931 -3.590 -8.616 1.00 0.00 C ATOM 373 C ILE A 24 9.636 -3.946 -10.075 1.00 0.00 C ATOM 374 O ILE A 24 10.527 -3.930 -10.925 1.00 0.00 O ATOM 375 CB ILE A 24 10.504 -2.161 -8.439 1.00 0.00 C ATOM 376 CG1 ILE A 24 10.447 -1.817 -6.931 1.00 0.00 C ATOM 377 CG2 ILE A 24 9.756 -1.120 -9.296 1.00 0.00 C ATOM 378 CD1 ILE A 24 10.904 -0.404 -6.558 1.00 0.00 C ATOM 0 H ILE A 24 11.837 -4.307 -8.192 1.00 0.00 H new ATOM 0 HA ILE A 24 8.984 -3.608 -8.077 1.00 0.00 H new ATOM 0 HB ILE A 24 11.535 -2.132 -8.791 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.422 -1.952 -6.584 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.064 -2.534 -6.389 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.195 -0.135 -9.137 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.839 -1.388 -10.349 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.705 -1.100 -9.008 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.824 -0.269 -5.479 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.940 -0.264 -6.865 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.273 0.328 -7.063 1.00 0.00 H new ATOM 390 N ASP A 25 8.373 -4.258 -10.357 1.00 0.00 N ATOM 391 CA ASP A 25 7.837 -4.459 -11.703 1.00 0.00 C ATOM 392 C ASP A 25 7.320 -3.125 -12.259 1.00 0.00 C ATOM 393 O ASP A 25 6.341 -2.566 -11.761 1.00 0.00 O ATOM 394 CB ASP A 25 6.740 -5.531 -11.619 1.00 0.00 C ATOM 395 CG ASP A 25 6.021 -5.854 -12.936 1.00 0.00 C ATOM 396 OD1 ASP A 25 5.195 -6.800 -12.913 1.00 0.00 O ATOM 397 OD2 ASP A 25 6.256 -5.176 -13.961 1.00 0.00 O ATOM 0 H ASP A 25 7.669 -4.382 -9.629 1.00 0.00 H new ATOM 0 HA ASP A 25 8.607 -4.806 -12.392 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.184 -6.449 -11.234 1.00 0.00 H new ATOM 0 HB3 ASP A 25 5.996 -5.207 -10.891 1.00 0.00 H new ATOM 402 N GLN A 26 7.968 -2.600 -13.298 1.00 0.00 N ATOM 403 CA GLN A 26 7.645 -1.287 -13.865 1.00 0.00 C ATOM 404 C GLN A 26 6.288 -1.241 -14.598 1.00 0.00 C ATOM 405 O GLN A 26 5.791 -0.147 -14.878 1.00 0.00 O ATOM 406 CB GLN A 26 8.805 -0.781 -14.741 1.00 0.00 C ATOM 407 CG GLN A 26 10.147 -0.611 -13.995 1.00 0.00 C ATOM 408 CD GLN A 26 10.219 0.601 -13.058 1.00 0.00 C ATOM 409 OE1 GLN A 26 9.232 1.122 -12.550 1.00 0.00 O ATOM 410 NE2 GLN A 26 11.404 1.107 -12.795 1.00 0.00 N ATOM 0 H GLN A 26 8.736 -3.074 -13.774 1.00 0.00 H new ATOM 0 HA GLN A 26 7.524 -0.602 -13.026 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.949 -1.477 -15.567 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.523 0.177 -15.177 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.339 -1.513 -13.413 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.947 -0.530 -14.731 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.239 0.690 -13.206 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.488 1.916 -12.180 1.00 0.00 H new ATOM 419 N LYS A 27 5.651 -2.394 -14.867 1.00 0.00 N ATOM 420 CA LYS A 27 4.264 -2.487 -15.367 1.00 0.00 C ATOM 421 C LYS A 27 3.203 -2.548 -14.250 1.00 0.00 C ATOM 422 O LYS A 27 2.029 -2.299 -14.536 1.00 0.00 O ATOM 423 CB LYS A 27 4.136 -3.691 -16.325 1.00 0.00 C ATOM 424 CG LYS A 27 4.838 -3.507 -17.684 1.00 0.00 C ATOM 425 CD LYS A 27 4.157 -2.433 -18.552 1.00 0.00 C ATOM 426 CE LYS A 27 4.612 -2.453 -20.019 1.00 0.00 C ATOM 427 NZ LYS A 27 6.006 -1.973 -20.198 1.00 0.00 N ATOM 0 H LYS A 27 6.092 -3.305 -14.741 1.00 0.00 H new ATOM 0 HA LYS A 27 4.059 -1.563 -15.908 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.547 -4.574 -15.835 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.078 -3.888 -16.501 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.879 -3.231 -17.518 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.842 -4.456 -18.220 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.077 -2.576 -18.513 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.364 -1.450 -18.129 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.530 -3.469 -20.406 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.940 -1.832 -20.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.259 -2.008 -21.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.083 -0.994 -19.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.654 -2.580 -19.657 1.00 0.00 H new ATOM 441 N LYS A 28 3.573 -2.837 -12.993 1.00 0.00 N ATOM 442 CA LYS A 28 2.659 -2.780 -11.829 1.00 0.00 C ATOM 443 C LYS A 28 2.445 -1.346 -11.330 1.00 0.00 C ATOM 444 O LYS A 28 3.380 -0.543 -11.395 1.00 0.00 O ATOM 445 CB LYS A 28 3.172 -3.651 -10.668 1.00 0.00 C ATOM 446 CG LYS A 28 2.812 -5.123 -10.878 1.00 0.00 C ATOM 447 CD LYS A 28 3.217 -5.963 -9.660 1.00 0.00 C ATOM 448 CE LYS A 28 2.875 -7.438 -9.891 1.00 0.00 C ATOM 449 NZ LYS A 28 3.847 -8.105 -10.801 1.00 0.00 N ATOM 0 H LYS A 28 4.522 -3.120 -12.748 1.00 0.00 H new ATOM 0 HA LYS A 28 1.702 -3.171 -12.176 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.254 -3.547 -10.583 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.743 -3.300 -9.730 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.740 -5.219 -11.051 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.314 -5.501 -11.769 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.286 -5.856 -9.475 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.702 -5.599 -8.771 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.859 -7.960 -8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.873 -7.515 -10.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.367 -8.864 -11.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.229 -7.408 -11.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.625 -8.509 -10.242 1.00 0.00 H new ATOM 463 N PRO A 29 1.268 -1.014 -10.768 1.00 0.00 N ATOM 464 CA PRO A 29 1.049 0.254 -10.074 1.00 0.00 C ATOM 465 C PRO A 29 1.907 0.342 -8.809 1.00 0.00 C ATOM 466 O PRO A 29 2.124 -0.650 -8.109 1.00 0.00 O ATOM 467 CB PRO A 29 -0.448 0.286 -9.741 1.00 0.00 C ATOM 468 CG PRO A 29 -0.846 -1.185 -9.674 1.00 0.00 C ATOM 469 CD PRO A 29 0.093 -1.869 -10.661 1.00 0.00 C ATOM 0 HA PRO A 29 1.336 1.107 -10.689 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.635 0.793 -8.794 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.015 0.818 -10.505 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.726 -1.585 -8.667 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.890 -1.329 -9.952 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.367 -2.864 -10.311 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.387 -1.993 -11.632 1.00 0.00 H new ATOM 477 N LEU A 30 2.358 1.553 -8.478 1.00 0.00 N ATOM 478 CA LEU A 30 3.158 1.797 -7.275 1.00 0.00 C ATOM 479 C LEU A 30 2.379 1.492 -5.986 1.00 0.00 C ATOM 480 O LEU A 30 2.991 1.047 -5.025 1.00 0.00 O ATOM 481 CB LEU A 30 3.721 3.229 -7.309 1.00 0.00 C ATOM 482 CG LEU A 30 4.881 3.381 -8.314 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.119 4.855 -8.623 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.191 2.789 -7.784 1.00 0.00 C ATOM 0 H LEU A 30 2.180 2.390 -9.033 1.00 0.00 H new ATOM 0 HA LEU A 30 4.000 1.104 -7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.923 3.924 -7.571 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.068 3.504 -6.313 1.00 0.00 H new ATOM 0 HG LEU A 30 4.588 2.837 -9.212 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.940 4.950 -9.333 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.215 5.287 -9.053 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.372 5.383 -7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.977 2.921 -8.528 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.474 3.298 -6.863 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.055 1.726 -7.584 1.00 0.00 H new ATOM 496 N SER A 31 1.045 1.607 -5.975 1.00 0.00 N ATOM 497 CA SER A 31 0.208 1.156 -4.848 1.00 0.00 C ATOM 498 C SER A 31 0.376 -0.347 -4.556 1.00 0.00 C ATOM 499 O SER A 31 0.609 -0.723 -3.406 1.00 0.00 O ATOM 500 CB SER A 31 -1.263 1.497 -5.119 1.00 0.00 C ATOM 501 OG SER A 31 -2.095 1.058 -4.056 1.00 0.00 O ATOM 0 H SER A 31 0.513 2.014 -6.744 1.00 0.00 H new ATOM 0 HA SER A 31 0.543 1.687 -3.957 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.372 2.574 -5.249 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.582 1.030 -6.051 1.00 0.00 H new ATOM 0 HG SER A 31 -3.027 1.289 -4.253 1.00 0.00 H new ATOM 507 N ALA A 32 0.355 -1.207 -5.586 1.00 0.00 N ATOM 508 CA ALA A 32 0.576 -2.651 -5.427 1.00 0.00 C ATOM 509 C ALA A 32 1.989 -2.966 -4.899 1.00 0.00 C ATOM 510 O ALA A 32 2.153 -3.800 -4.007 1.00 0.00 O ATOM 511 CB ALA A 32 0.317 -3.353 -6.771 1.00 0.00 C ATOM 0 H ALA A 32 0.185 -0.921 -6.550 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.123 -3.027 -4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.480 -4.425 -6.659 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.712 -3.173 -7.083 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.999 -2.959 -7.524 1.00 0.00 H new ATOM 517 N ILE A 33 3.006 -2.263 -5.407 1.00 0.00 N ATOM 518 CA ILE A 33 4.394 -2.396 -4.949 1.00 0.00 C ATOM 519 C ILE A 33 4.537 -1.929 -3.493 1.00 0.00 C ATOM 520 O ILE A 33 5.073 -2.666 -2.674 1.00 0.00 O ATOM 521 CB ILE A 33 5.333 -1.624 -5.898 1.00 0.00 C ATOM 522 CG1 ILE A 33 5.286 -2.230 -7.322 1.00 0.00 C ATOM 523 CG2 ILE A 33 6.781 -1.630 -5.372 1.00 0.00 C ATOM 524 CD1 ILE A 33 5.728 -1.249 -8.410 1.00 0.00 C ATOM 0 H ILE A 33 2.889 -1.579 -6.155 1.00 0.00 H new ATOM 0 HA ILE A 33 4.680 -3.447 -4.973 1.00 0.00 H new ATOM 0 HB ILE A 33 4.986 -0.591 -5.941 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.926 -3.112 -7.356 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.270 -2.564 -7.534 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.421 -1.079 -6.061 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.813 -1.158 -4.390 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.135 -2.658 -5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.672 -1.736 -9.384 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.073 -0.377 -8.402 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.754 -0.934 -8.221 1.00 0.00 H new ATOM 536 N ILE A 34 4.020 -0.750 -3.136 1.00 0.00 N ATOM 537 CA ILE A 34 4.084 -0.199 -1.772 1.00 0.00 C ATOM 538 C ILE A 34 3.348 -1.115 -0.779 1.00 0.00 C ATOM 539 O ILE A 34 3.851 -1.335 0.323 1.00 0.00 O ATOM 540 CB ILE A 34 3.570 1.261 -1.758 1.00 0.00 C ATOM 541 CG1 ILE A 34 4.554 2.188 -2.518 1.00 0.00 C ATOM 542 CG2 ILE A 34 3.394 1.798 -0.326 1.00 0.00 C ATOM 543 CD1 ILE A 34 3.914 3.502 -2.987 1.00 0.00 C ATOM 0 H ILE A 34 3.537 -0.139 -3.794 1.00 0.00 H new ATOM 0 HA ILE A 34 5.122 -0.167 -1.442 1.00 0.00 H new ATOM 0 HB ILE A 34 2.597 1.257 -2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.401 2.416 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.949 1.655 -3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.032 2.825 -0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.673 1.179 0.209 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.352 1.770 0.193 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.658 4.102 -3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.085 3.283 -3.660 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.544 4.055 -2.124 1.00 0.00 H new ATOM 555 N LYS A 35 2.232 -1.745 -1.176 1.00 0.00 N ATOM 556 CA LYS A 35 1.565 -2.790 -0.380 1.00 0.00 C ATOM 557 C LYS A 35 2.486 -3.985 -0.104 1.00 0.00 C ATOM 558 O LYS A 35 2.564 -4.444 1.035 1.00 0.00 O ATOM 559 CB LYS A 35 0.263 -3.222 -1.079 1.00 0.00 C ATOM 560 CG LYS A 35 -0.639 -4.035 -0.141 1.00 0.00 C ATOM 561 CD LYS A 35 -1.971 -4.377 -0.820 1.00 0.00 C ATOM 562 CE LYS A 35 -2.870 -5.151 0.152 1.00 0.00 C ATOM 563 NZ LYS A 35 -4.171 -5.512 -0.471 1.00 0.00 N ATOM 0 H LYS A 35 1.764 -1.545 -2.060 1.00 0.00 H new ATOM 0 HA LYS A 35 1.317 -2.371 0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.274 -2.339 -1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.503 -3.817 -1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.130 -4.953 0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.826 -3.468 0.771 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.470 -3.463 -1.141 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.790 -4.973 -1.715 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.359 -6.057 0.478 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.048 -4.548 1.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.752 -6.034 0.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.670 -4.646 -0.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.002 -6.109 -1.306 1.00 0.00 H new ATOM 577 N GLU A 36 3.232 -4.449 -1.109 1.00 0.00 N ATOM 578 CA GLU A 36 4.244 -5.497 -0.971 1.00 0.00 C ATOM 579 C GLU A 36 5.454 -5.061 -0.118 1.00 0.00 C ATOM 580 O GLU A 36 6.054 -5.908 0.550 1.00 0.00 O ATOM 581 CB GLU A 36 4.664 -5.946 -2.383 1.00 0.00 C ATOM 582 CG GLU A 36 3.643 -6.871 -3.065 1.00 0.00 C ATOM 583 CD GLU A 36 3.433 -8.216 -2.340 1.00 0.00 C ATOM 584 OE1 GLU A 36 2.278 -8.707 -2.299 1.00 0.00 O ATOM 585 OE2 GLU A 36 4.415 -8.810 -1.831 1.00 0.00 O ATOM 0 H GLU A 36 3.147 -4.098 -2.063 1.00 0.00 H new ATOM 0 HA GLU A 36 3.811 -6.336 -0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.815 -5.064 -3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.623 -6.460 -2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.686 -6.353 -3.132 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.971 -7.067 -4.086 1.00 0.00 H new ATOM 592 N VAL A 37 5.789 -3.762 -0.058 1.00 0.00 N ATOM 593 CA VAL A 37 6.775 -3.237 0.906 1.00 0.00 C ATOM 594 C VAL A 37 6.223 -3.324 2.335 1.00 0.00 C ATOM 595 O VAL A 37 6.833 -3.966 3.193 1.00 0.00 O ATOM 596 CB VAL A 37 7.224 -1.783 0.640 1.00 0.00 C ATOM 597 CG1 VAL A 37 8.417 -1.464 1.547 1.00 0.00 C ATOM 598 CG2 VAL A 37 7.679 -1.491 -0.788 1.00 0.00 C ATOM 0 H VAL A 37 5.389 -3.050 -0.670 1.00 0.00 H new ATOM 0 HA VAL A 37 7.655 -3.868 0.780 1.00 0.00 H new ATOM 0 HB VAL A 37 6.341 -1.174 0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.745 -0.440 1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.121 -1.575 2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.235 -2.150 1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.973 -0.445 -0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.529 -2.127 -1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.861 -1.693 -1.479 1.00 0.00 H new ATOM 608 N CYS A 38 5.067 -2.700 2.593 1.00 0.00 N ATOM 609 CA CYS A 38 4.479 -2.572 3.929 1.00 0.00 C ATOM 610 C CYS A 38 4.161 -3.934 4.565 1.00 0.00 C ATOM 611 O CYS A 38 4.462 -4.144 5.742 1.00 0.00 O ATOM 612 CB CYS A 38 3.220 -1.692 3.843 1.00 0.00 C ATOM 613 SG CYS A 38 3.657 0.009 3.373 1.00 0.00 S ATOM 0 H CYS A 38 4.504 -2.262 1.864 1.00 0.00 H new ATOM 0 HA CYS A 38 5.214 -2.099 4.581 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.527 -2.110 3.113 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.706 -1.689 4.804 1.00 0.00 H new ATOM 0 HG CYS A 38 3.078 0.845 4.182 1.00 0.00 H new ATOM 619 N ASP A 39 3.636 -4.891 3.793 1.00 0.00 N ATOM 620 CA ASP A 39 3.371 -6.258 4.262 1.00 0.00 C ATOM 621 C ASP A 39 4.647 -6.997 4.723 1.00 0.00 C ATOM 622 O ASP A 39 4.589 -7.835 5.624 1.00 0.00 O ATOM 623 CB ASP A 39 2.673 -7.040 3.137 1.00 0.00 C ATOM 624 CG ASP A 39 2.180 -8.426 3.591 1.00 0.00 C ATOM 625 OD1 ASP A 39 1.494 -8.519 4.637 1.00 0.00 O ATOM 626 OD2 ASP A 39 2.441 -9.422 2.876 1.00 0.00 O ATOM 0 H ASP A 39 3.381 -4.739 2.817 1.00 0.00 H new ATOM 0 HA ASP A 39 2.727 -6.192 5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.826 -6.461 2.769 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.363 -7.160 2.302 1.00 0.00 H new ATOM 631 N GLY A 40 5.815 -6.642 4.171 1.00 0.00 N ATOM 632 CA GLY A 40 7.121 -7.171 4.582 1.00 0.00 C ATOM 633 C GLY A 40 7.530 -6.808 6.019 1.00 0.00 C ATOM 634 O GLY A 40 8.297 -7.546 6.640 1.00 0.00 O ATOM 0 H GLY A 40 5.879 -5.965 3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.107 -8.257 4.485 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.882 -6.800 3.896 1.00 0.00 H new ATOM 638 N TRP A 41 6.977 -5.720 6.567 1.00 0.00 N ATOM 639 CA TRP A 41 7.120 -5.295 7.967 1.00 0.00 C ATOM 640 C TRP A 41 5.784 -5.301 8.743 1.00 0.00 C ATOM 641 O TRP A 41 5.685 -4.709 9.820 1.00 0.00 O ATOM 642 CB TRP A 41 7.843 -3.939 7.999 1.00 0.00 C ATOM 643 CG TRP A 41 9.268 -3.959 7.522 1.00 0.00 C ATOM 644 CD1 TRP A 41 10.259 -4.712 8.053 1.00 0.00 C ATOM 645 CD2 TRP A 41 9.885 -3.208 6.430 1.00 0.00 C ATOM 646 NE1 TRP A 41 11.436 -4.491 7.365 1.00 0.00 N ATOM 647 CE2 TRP A 41 11.267 -3.563 6.363 1.00 0.00 C ATOM 648 CE3 TRP A 41 9.424 -2.256 5.494 1.00 0.00 C ATOM 649 CZ2 TRP A 41 12.146 -3.005 5.422 1.00 0.00 C ATOM 650 CZ3 TRP A 41 10.300 -1.684 4.551 1.00 0.00 C ATOM 651 CH2 TRP A 41 11.653 -2.058 4.511 1.00 0.00 C ATOM 0 H TRP A 41 6.392 -5.084 6.025 1.00 0.00 H new ATOM 0 HA TRP A 41 7.729 -6.025 8.499 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.282 -3.232 7.387 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.825 -3.560 9.021 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.146 -5.385 8.890 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.319 -4.957 7.573 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.385 -1.962 5.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 13.185 -3.299 5.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.927 -0.950 3.852 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.314 -1.617 3.779 1.00 0.00 H new ATOM 662 N SER A 42 4.752 -5.973 8.214 1.00 0.00 N ATOM 663 CA SER A 42 3.385 -6.045 8.772 1.00 0.00 C ATOM 664 C SER A 42 2.719 -4.674 9.017 1.00 0.00 C ATOM 665 O SER A 42 1.854 -4.535 9.888 1.00 0.00 O ATOM 666 CB SER A 42 3.336 -6.945 10.019 1.00 0.00 C ATOM 667 OG SER A 42 3.833 -8.246 9.740 1.00 0.00 O ATOM 0 H SER A 42 4.846 -6.505 7.349 1.00 0.00 H new ATOM 0 HA SER A 42 2.778 -6.508 7.994 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.923 -6.493 10.819 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.309 -7.016 10.378 1.00 0.00 H new ATOM 0 HG SER A 42 3.791 -8.793 10.552 1.00 0.00 H new ATOM 673 N LEU A 43 3.119 -3.646 8.262 1.00 0.00 N ATOM 674 CA LEU A 43 2.596 -2.279 8.354 1.00 0.00 C ATOM 675 C LEU A 43 1.180 -2.184 7.756 1.00 0.00 C ATOM 676 O LEU A 43 0.953 -2.547 6.600 1.00 0.00 O ATOM 677 CB LEU A 43 3.574 -1.318 7.647 1.00 0.00 C ATOM 678 CG LEU A 43 4.894 -1.089 8.408 1.00 0.00 C ATOM 679 CD1 LEU A 43 5.906 -0.405 7.492 1.00 0.00 C ATOM 680 CD2 LEU A 43 4.707 -0.208 9.646 1.00 0.00 C ATOM 0 H LEU A 43 3.839 -3.746 7.547 1.00 0.00 H new ATOM 0 HA LEU A 43 2.514 -1.994 9.403 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.802 -1.713 6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.080 -0.357 7.501 1.00 0.00 H new ATOM 0 HG LEU A 43 5.248 -2.069 8.728 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.838 -0.245 8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.095 -1.036 6.624 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.508 0.555 7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.666 -0.077 10.147 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.319 0.765 9.345 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.003 -0.684 10.328 1.00 0.00 H new ATOM 692 N ALA A 44 0.229 -1.678 8.547 1.00 0.00 N ATOM 693 CA ALA A 44 -1.151 -1.439 8.130 1.00 0.00 C ATOM 694 C ALA A 44 -1.286 -0.204 7.214 1.00 0.00 C ATOM 695 O ALA A 44 -0.476 0.725 7.280 1.00 0.00 O ATOM 696 CB ALA A 44 -2.025 -1.298 9.384 1.00 0.00 C ATOM 0 H ALA A 44 0.404 -1.418 9.518 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.487 -2.289 7.536 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.059 -1.119 9.089 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.969 -2.214 9.972 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.669 -0.460 9.983 1.00 0.00 H new ATOM 702 N ASN A 45 -2.348 -0.190 6.399 1.00 0.00 N ATOM 703 CA ASN A 45 -2.772 0.918 5.529 1.00 0.00 C ATOM 704 C ASN A 45 -1.624 1.485 4.665 1.00 0.00 C ATOM 705 O ASN A 45 -1.153 2.608 4.868 1.00 0.00 O ATOM 706 CB ASN A 45 -3.527 1.982 6.357 1.00 0.00 C ATOM 707 CG ASN A 45 -4.802 1.472 7.018 1.00 0.00 C ATOM 708 OD1 ASN A 45 -5.282 0.370 6.781 1.00 0.00 O ATOM 709 ND2 ASN A 45 -5.413 2.261 7.871 1.00 0.00 N ATOM 0 H ASN A 45 -2.970 -0.995 6.324 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.475 0.526 4.794 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.860 2.366 7.129 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.778 2.820 5.707 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.273 1.953 8.325 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.028 3.182 8.080 1.00 0.00 H new ATOM 716 N HIS A 46 -1.191 0.713 3.659 1.00 0.00 N ATOM 717 CA HIS A 46 -0.111 1.080 2.736 1.00 0.00 C ATOM 718 C HIS A 46 -0.418 2.359 1.929 1.00 0.00 C ATOM 719 O HIS A 46 0.493 2.997 1.412 1.00 0.00 O ATOM 720 CB HIS A 46 0.144 -0.112 1.806 1.00 0.00 C ATOM 721 CG HIS A 46 -0.891 -0.234 0.716 1.00 0.00 C ATOM 722 ND1 HIS A 46 -2.192 -0.726 0.851 1.00 0.00 N ATOM 723 CD2 HIS A 46 -0.742 0.281 -0.533 1.00 0.00 C ATOM 724 CE1 HIS A 46 -2.785 -0.514 -0.340 1.00 0.00 C ATOM 725 NE2 HIS A 46 -1.932 0.084 -1.191 1.00 0.00 N ATOM 0 H HIS A 46 -1.591 -0.204 3.461 1.00 0.00 H new ATOM 0 HA HIS A 46 0.782 1.311 3.317 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.131 -0.010 1.354 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.156 -1.030 2.394 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.143 0.755 -0.932 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.803 -0.786 -0.578 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.133 0.346 -2.156 1.00 0.00 H new ATOM 733 N GLU A 47 -1.690 2.771 1.880 1.00 0.00 N ATOM 734 CA GLU A 47 -2.165 4.058 1.352 1.00 0.00 C ATOM 735 C GLU A 47 -1.432 5.268 1.960 1.00 0.00 C ATOM 736 O GLU A 47 -1.291 6.303 1.306 1.00 0.00 O ATOM 737 CB GLU A 47 -3.662 4.217 1.679 1.00 0.00 C ATOM 738 CG GLU A 47 -4.591 3.090 1.197 1.00 0.00 C ATOM 739 CD GLU A 47 -4.676 2.932 -0.338 1.00 0.00 C ATOM 740 OE1 GLU A 47 -5.166 1.872 -0.797 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.307 3.866 -1.089 1.00 0.00 O ATOM 0 H GLU A 47 -2.454 2.189 2.224 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.973 4.043 0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.768 4.308 2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.009 5.155 1.245 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.250 2.148 1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.593 3.273 1.585 1.00 0.00 H new ATOM 748 N TYR A 48 -0.956 5.157 3.207 1.00 0.00 N ATOM 749 CA TYR A 48 -0.207 6.220 3.886 1.00 0.00 C ATOM 750 C TYR A 48 1.240 6.352 3.387 1.00 0.00 C ATOM 751 O TYR A 48 1.893 7.346 3.696 1.00 0.00 O ATOM 752 CB TYR A 48 -0.135 5.955 5.399 1.00 0.00 C ATOM 753 CG TYR A 48 -1.406 5.758 6.209 1.00 0.00 C ATOM 754 CD1 TYR A 48 -1.247 5.427 7.568 1.00 0.00 C ATOM 755 CD2 TYR A 48 -2.703 5.894 5.672 1.00 0.00 C ATOM 756 CE1 TYR A 48 -2.367 5.220 8.390 1.00 0.00 C ATOM 757 CE2 TYR A 48 -3.830 5.655 6.483 1.00 0.00 C ATOM 758 CZ TYR A 48 -3.665 5.326 7.846 1.00 0.00 C ATOM 759 OH TYR A 48 -4.756 5.091 8.625 1.00 0.00 O ATOM 0 H TYR A 48 -1.081 4.320 3.777 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.749 7.139 3.664 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.478 5.065 5.541 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.406 6.789 5.846 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.254 5.331 7.983 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.832 6.181 4.639 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.235 4.981 9.435 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.822 5.724 6.061 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.570 5.209 8.092 1.00 0.00 H new ATOM 769 N PHE A 49 1.769 5.361 2.667 1.00 0.00 N ATOM 770 CA PHE A 49 3.190 5.234 2.344 1.00 0.00 C ATOM 771 C PHE A 49 3.561 5.608 0.904 1.00 0.00 C ATOM 772 O PHE A 49 2.733 5.625 -0.008 1.00 0.00 O ATOM 773 CB PHE A 49 3.660 3.816 2.700 1.00 0.00 C ATOM 774 CG PHE A 49 3.757 3.583 4.196 1.00 0.00 C ATOM 775 CD1 PHE A 49 4.992 3.753 4.849 1.00 0.00 C ATOM 776 CD2 PHE A 49 2.613 3.238 4.942 1.00 0.00 C ATOM 777 CE1 PHE A 49 5.073 3.604 6.243 1.00 0.00 C ATOM 778 CE2 PHE A 49 2.699 3.081 6.336 1.00 0.00 C ATOM 779 CZ PHE A 49 3.929 3.268 6.989 1.00 0.00 C ATOM 0 H PHE A 49 1.204 4.604 2.282 1.00 0.00 H new ATOM 0 HA PHE A 49 3.717 5.971 2.949 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.970 3.091 2.269 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.635 3.637 2.246 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.876 3.998 4.279 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.667 3.094 4.441 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.018 3.748 6.745 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.820 2.817 6.905 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.996 3.154 8.061 1.00 0.00 H new ATOM 789 N ALA A 50 4.852 5.881 0.726 1.00 0.00 N ATOM 790 CA ALA A 50 5.541 6.066 -0.542 1.00 0.00 C ATOM 791 C ALA A 50 6.963 5.483 -0.462 1.00 0.00 C ATOM 792 O ALA A 50 7.584 5.446 0.605 1.00 0.00 O ATOM 793 CB ALA A 50 5.572 7.563 -0.885 1.00 0.00 C ATOM 0 H ALA A 50 5.484 5.985 1.520 1.00 0.00 H new ATOM 0 HA ALA A 50 5.009 5.537 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.087 7.708 -1.834 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.552 7.939 -0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.099 8.105 -0.100 1.00 0.00 H new ATOM 799 N LEU A 51 7.479 5.018 -1.600 1.00 0.00 N ATOM 800 CA LEU A 51 8.897 4.696 -1.747 1.00 0.00 C ATOM 801 C LEU A 51 9.682 5.994 -1.989 1.00 0.00 C ATOM 802 O LEU A 51 9.146 6.978 -2.502 1.00 0.00 O ATOM 803 CB LEU A 51 9.095 3.680 -2.887 1.00 0.00 C ATOM 804 CG LEU A 51 8.893 2.221 -2.440 1.00 0.00 C ATOM 805 CD1 LEU A 51 8.776 1.316 -3.666 1.00 0.00 C ATOM 806 CD2 LEU A 51 10.074 1.732 -1.596 1.00 0.00 C ATOM 0 H LEU A 51 6.928 4.855 -2.442 1.00 0.00 H new ATOM 0 HA LEU A 51 9.275 4.233 -0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.396 3.907 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.099 3.793 -3.295 1.00 0.00 H new ATOM 0 HG LEU A 51 7.982 2.181 -1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.633 0.284 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.924 1.629 -4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.687 1.388 -4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.903 0.698 -1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.990 1.792 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.170 2.357 -0.708 1.00 0.00 H new ATOM 818 N GLN A 52 10.963 5.991 -1.634 1.00 0.00 N ATOM 819 CA GLN A 52 11.852 7.149 -1.717 1.00 0.00 C ATOM 820 C GLN A 52 13.288 6.702 -2.026 1.00 0.00 C ATOM 821 O GLN A 52 13.709 5.631 -1.594 1.00 0.00 O ATOM 822 CB GLN A 52 11.723 7.921 -0.391 1.00 0.00 C ATOM 823 CG GLN A 52 12.602 9.169 -0.262 1.00 0.00 C ATOM 824 CD GLN A 52 12.366 9.875 1.072 1.00 0.00 C ATOM 825 OE1 GLN A 52 12.490 9.299 2.146 1.00 0.00 O ATOM 826 NE2 GLN A 52 12.024 11.143 1.059 1.00 0.00 N ATOM 0 H GLN A 52 11.427 5.159 -1.270 1.00 0.00 H new ATOM 0 HA GLN A 52 11.574 7.813 -2.535 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.682 8.217 -0.264 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.964 7.243 0.428 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.652 8.888 -0.347 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.388 9.854 -1.082 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.918 11.633 0.171 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.865 11.637 1.937 1.00 0.00 H new ATOM 835 N HIS A 53 14.056 7.505 -2.763 1.00 0.00 N ATOM 836 CA HIS A 53 15.495 7.265 -2.974 1.00 0.00 C ATOM 837 C HIS A 53 16.280 7.457 -1.670 1.00 0.00 C ATOM 838 O HIS A 53 16.091 8.454 -0.972 1.00 0.00 O ATOM 839 CB HIS A 53 16.044 8.165 -4.091 1.00 0.00 C ATOM 840 CG HIS A 53 15.872 7.569 -5.467 1.00 0.00 C ATOM 841 ND1 HIS A 53 16.685 6.576 -6.020 1.00 0.00 N ATOM 842 CD2 HIS A 53 14.893 7.880 -6.364 1.00 0.00 C ATOM 843 CE1 HIS A 53 16.182 6.320 -7.240 1.00 0.00 C ATOM 844 NE2 HIS A 53 15.107 7.092 -7.474 1.00 0.00 N ATOM 0 H HIS A 53 13.705 8.340 -3.232 1.00 0.00 H new ATOM 0 HA HIS A 53 15.622 6.229 -3.289 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.539 9.130 -4.053 1.00 0.00 H new ATOM 0 HB3 HIS A 53 17.103 8.352 -3.912 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.103 8.604 -6.230 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.585 5.597 -7.934 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.546 7.094 -8.326 1.00 0.00 H new ATOM 930 N TYR A 60 10.860 11.256 -3.619 1.00 0.00 N ATOM 931 CA TYR A 60 9.767 10.278 -3.584 1.00 0.00 C ATOM 932 C TYR A 60 9.586 9.625 -4.964 1.00 0.00 C ATOM 933 O TYR A 60 9.693 10.297 -5.995 1.00 0.00 O ATOM 934 CB TYR A 60 8.450 10.938 -3.149 1.00 0.00 C ATOM 935 CG TYR A 60 8.457 11.528 -1.752 1.00 0.00 C ATOM 936 CD1 TYR A 60 8.533 12.924 -1.571 1.00 0.00 C ATOM 937 CD2 TYR A 60 8.355 10.678 -0.632 1.00 0.00 C ATOM 938 CE1 TYR A 60 8.512 13.472 -0.274 1.00 0.00 C ATOM 939 CE2 TYR A 60 8.330 11.225 0.666 1.00 0.00 C ATOM 940 CZ TYR A 60 8.412 12.622 0.850 1.00 0.00 C ATOM 941 OH TYR A 60 8.386 13.143 2.107 1.00 0.00 O ATOM 0 HA TYR A 60 10.030 9.511 -2.855 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.206 11.728 -3.859 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.653 10.197 -3.210 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.608 13.575 -2.429 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.296 9.608 -0.769 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.572 14.542 -0.139 1.00 0.00 H new ATOM 0 HE2 TYR A 60 8.248 10.573 1.523 1.00 0.00 H new ATOM 0 HH TYR A 60 8.313 12.417 2.761 1.00 0.00 H new ATOM 951 N ILE A 61 9.287 8.326 -4.997 1.00 0.00 N ATOM 952 CA ILE A 61 9.003 7.583 -6.230 1.00 0.00 C ATOM 953 C ILE A 61 7.572 7.871 -6.713 1.00 0.00 C ATOM 954 O ILE A 61 6.618 7.799 -5.935 1.00 0.00 O ATOM 955 CB ILE A 61 9.264 6.073 -6.039 1.00 0.00 C ATOM 956 CG1 ILE A 61 10.708 5.766 -5.572 1.00 0.00 C ATOM 957 CG2 ILE A 61 8.943 5.284 -7.320 1.00 0.00 C ATOM 958 CD1 ILE A 61 11.834 6.355 -6.435 1.00 0.00 C ATOM 0 H ILE A 61 9.234 7.750 -4.157 1.00 0.00 H new ATOM 0 HA ILE A 61 9.684 7.924 -7.009 1.00 0.00 H new ATOM 0 HB ILE A 61 8.591 5.750 -5.245 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.826 6.136 -4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.834 4.684 -5.534 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.137 4.224 -7.153 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.894 5.424 -7.580 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.570 5.644 -8.136 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.800 6.076 -6.013 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.755 5.966 -7.450 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.747 7.441 -6.455 1.00 0.00 H new ATOM 970 N THR A 62 7.425 8.173 -8.003 1.00 0.00 N ATOM 971 CA THR A 62 6.158 8.515 -8.670 1.00 0.00 C ATOM 972 C THR A 62 6.068 7.869 -10.051 1.00 0.00 C ATOM 973 O THR A 62 7.068 7.463 -10.646 1.00 0.00 O ATOM 974 CB THR A 62 5.969 10.039 -8.830 1.00 0.00 C ATOM 975 OG1 THR A 62 6.794 10.540 -9.866 1.00 0.00 O ATOM 976 CG2 THR A 62 6.261 10.848 -7.565 1.00 0.00 C ATOM 0 H THR A 62 8.218 8.188 -8.644 1.00 0.00 H new ATOM 0 HA THR A 62 5.368 8.129 -8.025 1.00 0.00 H new ATOM 0 HB THR A 62 4.912 10.162 -9.065 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.659 11.507 -9.953 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.103 11.908 -7.766 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.593 10.527 -6.766 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.295 10.686 -7.260 1.00 0.00 H new ATOM 984 N GLU A 63 4.868 7.840 -10.624 1.00 0.00 N ATOM 985 CA GLU A 63 4.601 7.360 -11.985 1.00 0.00 C ATOM 986 C GLU A 63 5.285 8.206 -13.086 1.00 0.00 C ATOM 987 O GLU A 63 5.265 7.821 -14.256 1.00 0.00 O ATOM 988 CB GLU A 63 3.079 7.268 -12.212 1.00 0.00 C ATOM 989 CG GLU A 63 2.348 6.360 -11.201 1.00 0.00 C ATOM 990 CD GLU A 63 1.990 7.009 -9.843 1.00 0.00 C ATOM 991 OE1 GLU A 63 1.405 6.300 -8.993 1.00 0.00 O ATOM 992 OE2 GLU A 63 2.297 8.203 -9.608 1.00 0.00 O ATOM 0 H GLU A 63 4.027 8.158 -10.143 1.00 0.00 H new ATOM 0 HA GLU A 63 5.044 6.368 -12.069 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.653 8.270 -12.159 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.894 6.895 -13.219 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.428 6.001 -11.663 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.971 5.486 -11.011 1.00 0.00 H new ATOM 999 N LYS A 64 5.913 9.335 -12.718 1.00 0.00 N ATOM 1000 CA LYS A 64 6.686 10.226 -13.599 1.00 0.00 C ATOM 1001 C LYS A 64 8.214 10.151 -13.385 1.00 0.00 C ATOM 1002 O LYS A 64 8.951 10.717 -14.190 1.00 0.00 O ATOM 1003 CB LYS A 64 6.120 11.653 -13.442 1.00 0.00 C ATOM 1004 CG LYS A 64 6.384 12.551 -14.661 1.00 0.00 C ATOM 1005 CD LYS A 64 5.629 13.880 -14.534 1.00 0.00 C ATOM 1006 CE LYS A 64 5.791 14.705 -15.816 1.00 0.00 C ATOM 1007 NZ LYS A 64 4.977 15.949 -15.769 1.00 0.00 N ATOM 0 H LYS A 64 5.895 9.667 -11.754 1.00 0.00 H new ATOM 0 HA LYS A 64 6.566 9.893 -14.630 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.045 11.593 -13.270 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.559 12.115 -12.558 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.453 12.743 -14.752 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.074 12.037 -15.571 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.572 13.690 -14.346 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.008 14.442 -13.681 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.841 14.961 -15.955 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.492 14.106 -16.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.109 16.484 -16.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.972 15.703 -15.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.279 16.532 -14.962 1.00 0.00 H new ATOM 1021 N ASN A 65 8.706 9.447 -12.352 1.00 0.00 N ATOM 1022 CA ASN A 65 10.151 9.290 -12.084 1.00 0.00 C ATOM 1023 C ASN A 65 10.623 7.853 -11.754 1.00 0.00 C ATOM 1024 O ASN A 65 11.829 7.616 -11.654 1.00 0.00 O ATOM 1025 CB ASN A 65 10.601 10.330 -11.034 1.00 0.00 C ATOM 1026 CG ASN A 65 10.185 10.031 -9.601 1.00 0.00 C ATOM 1027 OD1 ASN A 65 9.873 8.912 -9.225 1.00 0.00 O ATOM 1028 ND2 ASN A 65 10.198 11.017 -8.737 1.00 0.00 N ATOM 0 H ASN A 65 8.113 8.968 -11.675 1.00 0.00 H new ATOM 0 HA ASN A 65 10.658 9.488 -13.029 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.687 10.411 -11.070 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.199 11.303 -11.316 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.949 10.845 -7.763 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.457 11.956 -9.039 1.00 0.00 H new ATOM 1035 N ARG A 66 9.715 6.873 -11.623 1.00 0.00 N ATOM 1036 CA ARG A 66 10.034 5.456 -11.331 1.00 0.00 C ATOM 1037 C ARG A 66 11.005 4.804 -12.324 1.00 0.00 C ATOM 1038 O ARG A 66 11.700 3.855 -11.966 1.00 0.00 O ATOM 1039 CB ARG A 66 8.731 4.645 -11.236 1.00 0.00 C ATOM 1040 CG ARG A 66 7.944 4.599 -12.562 1.00 0.00 C ATOM 1041 CD ARG A 66 6.599 3.888 -12.415 1.00 0.00 C ATOM 1042 NE ARG A 66 6.766 2.482 -12.017 1.00 0.00 N ATOM 1043 CZ ARG A 66 5.799 1.629 -11.761 1.00 0.00 C ATOM 1044 NH1 ARG A 66 4.544 1.916 -11.947 1.00 0.00 N ATOM 1045 NH2 ARG A 66 6.067 0.448 -11.302 1.00 0.00 N ATOM 0 H ARG A 66 8.714 7.042 -11.718 1.00 0.00 H new ATOM 0 HA ARG A 66 10.559 5.451 -10.376 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.966 3.627 -10.926 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.098 5.076 -10.460 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.778 5.616 -12.919 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.541 4.089 -13.318 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.993 4.407 -11.672 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.057 3.937 -13.359 1.00 0.00 H new ATOM 0 HE ARG A 66 7.722 2.136 -11.932 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.278 2.833 -12.305 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.826 1.224 -11.735 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.035 0.173 -11.136 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.310 -0.207 -11.106 1.00 0.00 H new ATOM 1059 N ASN A 67 11.086 5.328 -13.548 1.00 0.00 N ATOM 1060 CA ASN A 67 12.026 4.903 -14.590 1.00 0.00 C ATOM 1061 C ASN A 67 13.509 5.107 -14.196 1.00 0.00 C ATOM 1062 O ASN A 67 14.388 4.461 -14.767 1.00 0.00 O ATOM 1063 CB ASN A 67 11.700 5.684 -15.879 1.00 0.00 C ATOM 1064 CG ASN A 67 12.090 7.151 -15.761 1.00 0.00 C ATOM 1065 OD1 ASN A 67 11.442 7.932 -15.081 1.00 0.00 O ATOM 1066 ND2 ASN A 67 13.194 7.539 -16.357 1.00 0.00 N ATOM 0 H ASN A 67 10.477 6.087 -13.853 1.00 0.00 H new ATOM 0 HA ASN A 67 11.904 3.830 -14.739 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.227 5.234 -16.721 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.634 5.607 -16.092 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.518 8.501 -16.254 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.727 6.879 -16.922 1.00 0.00 H new ATOM 1073 N GLU A 68 13.799 5.998 -13.240 1.00 0.00 N ATOM 1074 CA GLU A 68 15.155 6.239 -12.724 1.00 0.00 C ATOM 1075 C GLU A 68 15.655 5.113 -11.791 1.00 0.00 C ATOM 1076 O GLU A 68 16.854 5.033 -11.513 1.00 0.00 O ATOM 1077 CB GLU A 68 15.208 7.596 -11.999 1.00 0.00 C ATOM 1078 CG GLU A 68 14.790 8.810 -12.852 1.00 0.00 C ATOM 1079 CD GLU A 68 15.560 8.964 -14.180 1.00 0.00 C ATOM 1080 OE1 GLU A 68 16.778 8.659 -14.235 1.00 0.00 O ATOM 1081 OE2 GLU A 68 14.952 9.427 -15.176 1.00 0.00 O ATOM 0 H GLU A 68 13.089 6.581 -12.796 1.00 0.00 H new ATOM 0 HA GLU A 68 15.825 6.252 -13.584 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.562 7.548 -11.123 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.224 7.758 -11.638 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.725 8.732 -13.073 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.928 9.716 -12.261 1.00 0.00 H new ATOM 1088 N ILE A 69 14.767 4.227 -11.318 1.00 0.00 N ATOM 1089 CA ILE A 69 15.131 3.021 -10.564 1.00 0.00 C ATOM 1090 C ILE A 69 15.784 2.002 -11.513 1.00 0.00 C ATOM 1091 O ILE A 69 15.226 1.665 -12.562 1.00 0.00 O ATOM 1092 CB ILE A 69 13.899 2.407 -9.857 1.00 0.00 C ATOM 1093 CG1 ILE A 69 13.212 3.425 -8.915 1.00 0.00 C ATOM 1094 CG2 ILE A 69 14.303 1.146 -9.072 1.00 0.00 C ATOM 1095 CD1 ILE A 69 11.871 2.932 -8.357 1.00 0.00 C ATOM 0 H ILE A 69 13.761 4.331 -11.451 1.00 0.00 H new ATOM 0 HA ILE A 69 15.845 3.295 -9.787 1.00 0.00 H new ATOM 0 HB ILE A 69 13.181 2.132 -10.630 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.882 3.650 -8.085 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.051 4.358 -9.456 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.425 0.726 -8.581 1.00 0.00 H new ATOM 0 HG22 ILE A 69 14.722 0.409 -9.757 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.048 1.408 -8.321 1.00 0.00 H new ATOM 0 HD11 ILE A 69 11.446 3.695 -7.705 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.185 2.735 -9.181 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.028 2.016 -7.788 1.00 0.00 H new ATOM 1107 N LYS A 70 16.940 1.471 -11.106 1.00 0.00 N ATOM 1108 CA LYS A 70 17.687 0.396 -11.782 1.00 0.00 C ATOM 1109 C LYS A 70 17.929 -0.808 -10.865 1.00 0.00 C ATOM 1110 O LYS A 70 17.724 -0.728 -9.651 1.00 0.00 O ATOM 1111 CB LYS A 70 18.990 0.971 -12.374 1.00 0.00 C ATOM 1112 CG LYS A 70 19.978 1.487 -11.312 1.00 0.00 C ATOM 1113 CD LYS A 70 21.262 2.015 -11.964 1.00 0.00 C ATOM 1114 CE LYS A 70 22.225 2.524 -10.884 1.00 0.00 C ATOM 1115 NZ LYS A 70 23.484 3.047 -11.477 1.00 0.00 N ATOM 0 H LYS A 70 17.406 1.791 -10.257 1.00 0.00 H new ATOM 0 HA LYS A 70 17.083 0.010 -12.603 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.480 0.200 -12.969 1.00 0.00 H new ATOM 0 HB3 LYS A 70 18.741 1.787 -13.053 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.509 2.280 -10.729 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.223 0.683 -10.617 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.737 1.224 -12.544 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.023 2.820 -12.659 1.00 0.00 H new ATOM 0 HE2 LYS A 70 21.741 3.310 -10.305 1.00 0.00 H new ATOM 0 HE3 LYS A 70 22.457 1.715 -10.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 24.112 3.383 -10.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 23.958 2.289 -12.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 23.264 3.835 -12.119 1.00 0.00 H new ATOM 1129 N ASN A 71 18.390 -1.924 -11.426 1.00 0.00 N ATOM 1130 CA ASN A 71 18.729 -3.117 -10.650 1.00 0.00 C ATOM 1131 C ASN A 71 19.853 -2.814 -9.634 1.00 0.00 C ATOM 1132 O ASN A 71 20.930 -2.344 -10.010 1.00 0.00 O ATOM 1133 CB ASN A 71 19.094 -4.250 -11.624 1.00 0.00 C ATOM 1134 CG ASN A 71 19.086 -5.599 -10.932 1.00 0.00 C ATOM 1135 OD1 ASN A 71 18.038 -6.130 -10.598 1.00 0.00 O ATOM 1136 ND2 ASN A 71 20.234 -6.184 -10.678 1.00 0.00 N ATOM 0 H ASN A 71 18.539 -2.028 -12.430 1.00 0.00 H new ATOM 0 HA ASN A 71 17.872 -3.438 -10.058 1.00 0.00 H new ATOM 0 HB2 ASN A 71 18.387 -4.261 -12.453 1.00 0.00 H new ATOM 0 HB3 ASN A 71 20.080 -4.063 -12.049 1.00 0.00 H new ATOM 0 HD21 ASN A 71 20.253 -7.085 -10.200 1.00 0.00 H new ATOM 0 HD22 ASN A 71 21.107 -5.737 -10.959 1.00 0.00 H new ATOM 1143 N GLY A 72 19.593 -3.068 -8.350 1.00 0.00 N ATOM 1144 CA GLY A 72 20.480 -2.746 -7.226 1.00 0.00 C ATOM 1145 C GLY A 72 20.279 -1.355 -6.599 1.00 0.00 C ATOM 1146 O GLY A 72 21.118 -0.935 -5.799 1.00 0.00 O ATOM 0 H GLY A 72 18.729 -3.520 -8.052 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.341 -3.498 -6.450 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.512 -2.826 -7.566 1.00 0.00 H new ATOM 1150 N THR A 73 19.203 -0.626 -6.930 1.00 0.00 N ATOM 1151 CA THR A 73 18.902 0.690 -6.315 1.00 0.00 C ATOM 1152 C THR A 73 18.585 0.541 -4.823 1.00 0.00 C ATOM 1153 O THR A 73 17.758 -0.292 -4.441 1.00 0.00 O ATOM 1154 CB THR A 73 17.732 1.412 -7.010 1.00 0.00 C ATOM 1155 OG1 THR A 73 18.034 1.605 -8.369 1.00 0.00 O ATOM 1156 CG2 THR A 73 17.436 2.809 -6.458 1.00 0.00 C ATOM 0 H THR A 73 18.518 -0.922 -7.625 1.00 0.00 H new ATOM 0 HA THR A 73 19.799 1.296 -6.442 1.00 0.00 H new ATOM 0 HB THR A 73 16.868 0.769 -6.838 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.193 0.737 -8.795 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.599 3.246 -7.003 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.182 2.736 -5.401 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.316 3.441 -6.577 1.00 0.00 H new ATOM 1164 N ILE A 74 19.206 1.371 -3.978 1.00 0.00 N ATOM 1165 CA ILE A 74 18.847 1.490 -2.559 1.00 0.00 C ATOM 1166 C ILE A 74 17.724 2.529 -2.414 1.00 0.00 C ATOM 1167 O ILE A 74 17.869 3.692 -2.799 1.00 0.00 O ATOM 1168 CB ILE A 74 20.064 1.815 -1.664 1.00 0.00 C ATOM 1169 CG1 ILE A 74 21.248 0.852 -1.931 1.00 0.00 C ATOM 1170 CG2 ILE A 74 19.651 1.733 -0.179 1.00 0.00 C ATOM 1171 CD1 ILE A 74 22.550 1.278 -1.244 1.00 0.00 C ATOM 0 H ILE A 74 19.974 1.981 -4.259 1.00 0.00 H new ATOM 0 HA ILE A 74 18.485 0.524 -2.208 1.00 0.00 H new ATOM 0 HB ILE A 74 20.396 2.825 -1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 74 20.977 -0.147 -1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 74 21.418 0.787 -3.006 1.00 0.00 H new ATOM 0 HG21 ILE A 74 20.510 1.962 0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.855 2.451 0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.295 0.727 0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 74 23.335 0.558 -1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 74 22.845 2.264 -1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 74 22.397 1.315 -0.165 1.00 0.00 H new ATOM 1183 N LEU A 75 16.599 2.097 -1.853 1.00 0.00 N ATOM 1184 CA LEU A 75 15.399 2.888 -1.585 1.00 0.00 C ATOM 1185 C LEU A 75 15.107 2.932 -0.074 1.00 0.00 C ATOM 1186 O LEU A 75 15.811 2.329 0.736 1.00 0.00 O ATOM 1187 CB LEU A 75 14.217 2.296 -2.384 1.00 0.00 C ATOM 1188 CG LEU A 75 14.371 2.296 -3.917 1.00 0.00 C ATOM 1189 CD1 LEU A 75 13.152 1.629 -4.551 1.00 0.00 C ATOM 1190 CD2 LEU A 75 14.477 3.709 -4.494 1.00 0.00 C ATOM 0 H LEU A 75 16.493 1.127 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 75 15.553 3.918 -1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.060 1.269 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.316 2.854 -2.129 1.00 0.00 H new ATOM 0 HG LEU A 75 15.291 1.756 -4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.260 1.629 -5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.072 0.602 -4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.252 2.179 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.584 3.653 -5.577 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.577 4.271 -4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.346 4.211 -4.069 1.00 0.00 H new ATOM 1202 N ARG A 76 14.050 3.644 0.311 1.00 0.00 N ATOM 1203 CA ARG A 76 13.579 3.841 1.683 1.00 0.00 C ATOM 1204 C ARG A 76 12.051 3.895 1.707 1.00 0.00 C ATOM 1205 O ARG A 76 11.447 4.543 0.853 1.00 0.00 O ATOM 1206 CB ARG A 76 14.226 5.133 2.208 1.00 0.00 C ATOM 1207 CG ARG A 76 13.969 5.372 3.702 1.00 0.00 C ATOM 1208 CD ARG A 76 14.738 6.591 4.234 1.00 0.00 C ATOM 1209 NE ARG A 76 16.202 6.432 4.089 1.00 0.00 N ATOM 1210 CZ ARG A 76 17.050 7.243 3.488 1.00 0.00 C ATOM 1211 NH1 ARG A 76 16.708 8.389 2.972 1.00 0.00 N ATOM 1212 NH2 ARG A 76 18.287 6.878 3.380 1.00 0.00 N ATOM 0 H ARG A 76 13.463 4.129 -0.367 1.00 0.00 H new ATOM 0 HA ARG A 76 13.866 3.013 2.331 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.301 5.091 2.033 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.843 5.981 1.640 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.901 5.517 3.867 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.261 4.486 4.266 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.416 7.484 3.699 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.493 6.744 5.285 1.00 0.00 H new ATOM 0 HE ARG A 76 16.604 5.592 4.505 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.738 8.701 3.021 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.410 8.974 2.519 1.00 0.00 H new ATOM 0 HH21 ARG A 76 18.588 5.979 3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 76 18.961 7.489 2.919 1.00 0.00 H new ATOM 1226 N LEU A 77 11.427 3.220 2.670 1.00 0.00 N ATOM 1227 CA LEU A 77 9.997 3.362 2.949 1.00 0.00 C ATOM 1228 C LEU A 77 9.758 4.590 3.839 1.00 0.00 C ATOM 1229 O LEU A 77 10.501 4.836 4.790 1.00 0.00 O ATOM 1230 CB LEU A 77 9.461 2.064 3.577 1.00 0.00 C ATOM 1231 CG LEU A 77 7.971 2.087 3.937 1.00 0.00 C ATOM 1232 CD1 LEU A 77 7.112 2.147 2.669 1.00 0.00 C ATOM 1233 CD2 LEU A 77 7.587 0.829 4.703 1.00 0.00 C ATOM 0 H LEU A 77 11.900 2.556 3.282 1.00 0.00 H new ATOM 0 HA LEU A 77 9.447 3.526 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.639 1.242 2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.034 1.851 4.479 1.00 0.00 H new ATOM 0 HG LEU A 77 7.796 2.970 4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.057 2.163 2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.354 3.050 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.313 1.271 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.526 0.863 4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.788 -0.048 4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.171 0.769 5.621 1.00 0.00 H new ATOM 1245 N THR A 78 8.716 5.360 3.539 1.00 0.00 N ATOM 1246 CA THR A 78 8.370 6.592 4.261 1.00 0.00 C ATOM 1247 C THR A 78 6.874 6.889 4.124 1.00 0.00 C ATOM 1248 O THR A 78 6.251 6.493 3.136 1.00 0.00 O ATOM 1249 CB THR A 78 9.255 7.751 3.752 1.00 0.00 C ATOM 1250 OG1 THR A 78 8.943 8.955 4.419 1.00 0.00 O ATOM 1251 CG2 THR A 78 9.142 8.009 2.244 1.00 0.00 C ATOM 0 H THR A 78 8.074 5.146 2.775 1.00 0.00 H new ATOM 0 HA THR A 78 8.567 6.468 5.326 1.00 0.00 H new ATOM 0 HB THR A 78 10.275 7.432 3.965 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.517 9.674 4.082 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.794 8.837 1.967 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.441 7.114 1.698 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.111 8.259 1.994 1.00 0.00 H new ATOM 1259 N THR A 79 6.256 7.558 5.102 1.00 0.00 N ATOM 1260 CA THR A 79 4.885 8.063 4.935 1.00 0.00 C ATOM 1261 C THR A 79 4.857 9.206 3.911 1.00 0.00 C ATOM 1262 O THR A 79 5.664 10.137 3.952 1.00 0.00 O ATOM 1263 CB THR A 79 4.210 8.470 6.255 1.00 0.00 C ATOM 1264 OG1 THR A 79 5.069 9.244 7.071 1.00 0.00 O ATOM 1265 CG2 THR A 79 3.748 7.247 7.052 1.00 0.00 C ATOM 0 H THR A 79 6.675 7.762 6.009 1.00 0.00 H new ATOM 0 HA THR A 79 4.292 7.231 4.554 1.00 0.00 H new ATOM 0 HB THR A 79 3.344 9.071 5.977 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.604 9.485 7.899 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.276 7.574 7.978 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.031 6.677 6.461 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.608 6.619 7.285 1.00 0.00 H new ATOM 1273 N SER A 80 3.918 9.113 2.973 1.00 0.00 N ATOM 1274 CA SER A 80 3.716 10.020 1.840 1.00 0.00 C ATOM 1275 C SER A 80 3.382 11.461 2.280 1.00 0.00 C ATOM 1276 O SER A 80 2.801 11.654 3.356 1.00 0.00 O ATOM 1277 CB SER A 80 2.572 9.439 0.994 1.00 0.00 C ATOM 1278 OG SER A 80 2.111 10.328 -0.007 1.00 0.00 O ATOM 0 H SER A 80 3.234 8.356 2.982 1.00 0.00 H new ATOM 0 HA SER A 80 4.642 10.091 1.269 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.910 8.516 0.523 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.741 9.177 1.649 1.00 0.00 H new ATOM 0 HG SER A 80 1.386 9.904 -0.513 1.00 0.00 H new