USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 786 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 TYR OH : rot -125:sc= -5.57! USER MOD Single : A 8 TYR OH : rot 179:sc= 0.26 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 15 MET CE :methyl 167:sc= 0 (180deg=-0.118) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 30:sc= -0.521 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 165:sc= 0.921 (180deg=0.778) USER MOD Single : A 40 HIS : +bothHN:sc= 0.372 K(o=0.37,f=-5.8!) USER MOD Single : A 46 THR OG1 : rot 85:sc= 1.25 USER MOD Single : A 48 ASN : amide:sc= -0.0644 X(o=-0.064,f=-0.23) USER MOD Single : B 3 TYR OH : rot 180:sc= -0.0969 USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 MET CE :methyl 148:sc= -0.696 (180deg=-1.96) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 20:sc= -8.16! USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 LYS NZ :NH3+ -172:sc= 2.25 (180deg=1.99) USER MOD Single : B 40 HIS : +bothHN:sc= -0.309 K(o=-0.31,f=-7.1!) USER MOD Single : B 46 THR OG1 : rot 76:sc= 0.0719 USER MOD Single : B 48 ASN : amide:sc= 0.862 K(o=0.86,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 32 N TYR A 3 -3.613 -16.557 -4.754 1.00 0.00 N ATOM 33 CA TYR A 3 -3.368 -15.439 -5.682 1.00 0.00 C ATOM 34 C TYR A 3 -2.959 -14.181 -4.897 1.00 0.00 C ATOM 35 O TYR A 3 -1.839 -13.686 -5.035 1.00 0.00 O ATOM 36 CB TYR A 3 -4.624 -15.186 -6.560 1.00 0.00 C ATOM 37 CG TYR A 3 -4.874 -13.755 -7.018 1.00 0.00 C ATOM 38 CD1 TYR A 3 -3.950 -13.098 -7.854 1.00 0.00 C ATOM 39 CD2 TYR A 3 -6.035 -13.078 -6.589 1.00 0.00 C ATOM 40 CE1 TYR A 3 -4.169 -11.757 -8.230 1.00 0.00 C ATOM 41 CE2 TYR A 3 -6.250 -11.736 -6.954 1.00 0.00 C ATOM 42 CZ TYR A 3 -5.310 -11.066 -7.763 1.00 0.00 C ATOM 43 OH TYR A 3 -5.508 -9.759 -8.084 1.00 0.00 O ATOM 0 HA TYR A 3 -2.545 -15.697 -6.349 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.550 -15.817 -7.446 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -5.499 -15.521 -6.003 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.074 -13.622 -8.207 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.762 -13.592 -5.978 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -3.463 -11.257 -8.876 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -7.135 -11.219 -6.614 1.00 0.00 H new ATOM 0 HH TYR A 3 -5.627 -9.235 -7.264 1.00 0.00 H new ATOM 53 N LEU A 4 -3.851 -13.676 -4.036 1.00 0.00 N ATOM 54 CA LEU A 4 -3.799 -12.303 -3.547 1.00 0.00 C ATOM 55 C LEU A 4 -2.790 -11.993 -2.439 1.00 0.00 C ATOM 56 O LEU A 4 -2.489 -10.818 -2.220 1.00 0.00 O ATOM 57 CB LEU A 4 -5.228 -11.874 -3.187 1.00 0.00 C ATOM 58 CG LEU A 4 -5.828 -12.636 -1.992 1.00 0.00 C ATOM 59 CD1 LEU A 4 -6.008 -11.737 -0.768 1.00 0.00 C ATOM 60 CD2 LEU A 4 -7.181 -13.241 -2.364 1.00 0.00 C ATOM 0 H LEU A 4 -4.631 -14.215 -3.660 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.397 -11.702 -4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.231 -10.807 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.870 -12.019 -4.056 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.122 -13.427 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.434 -12.317 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.040 -11.338 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.678 -10.914 -1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.589 -13.776 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.867 -12.446 -2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.053 -13.934 -3.196 1.00 0.00 H new ATOM 72 N ARG A 5 -2.224 -12.998 -1.760 1.00 0.00 N ATOM 73 CA ARG A 5 -1.248 -12.745 -0.694 1.00 0.00 C ATOM 74 C ARG A 5 0.053 -12.133 -1.218 1.00 0.00 C ATOM 75 O ARG A 5 0.632 -11.293 -0.539 1.00 0.00 O ATOM 76 CB ARG A 5 -1.056 -14.036 0.116 1.00 0.00 C ATOM 77 CG ARG A 5 -0.215 -13.796 1.377 1.00 0.00 C ATOM 78 CD ARG A 5 -0.515 -14.829 2.471 1.00 0.00 C ATOM 79 NE ARG A 5 -1.830 -14.574 3.100 1.00 0.00 N ATOM 80 CZ ARG A 5 -2.536 -15.397 3.855 1.00 0.00 C ATOM 81 NH1 ARG A 5 -2.145 -16.611 4.120 1.00 0.00 N ATOM 82 NH2 ARG A 5 -3.669 -15.008 4.366 1.00 0.00 N ATOM 0 H ARG A 5 -2.422 -13.984 -1.927 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.634 -11.981 -0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.030 -14.436 0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.571 -14.788 -0.507 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.844 -13.836 1.120 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.412 -12.795 1.760 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.502 -15.831 2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.267 -14.797 3.230 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.239 -13.655 2.931 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.264 -16.958 3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.720 -17.215 4.708 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.014 -14.066 4.184 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -4.212 -15.646 4.948 1.00 0.00 H new ATOM 96 N GLU A 6 0.471 -12.446 -2.445 1.00 0.00 N ATOM 97 CA GLU A 6 1.595 -11.808 -3.114 1.00 0.00 C ATOM 98 C GLU A 6 1.357 -10.309 -3.367 1.00 0.00 C ATOM 99 O GLU A 6 2.256 -9.501 -3.154 1.00 0.00 O ATOM 100 CB GLU A 6 1.796 -12.561 -4.434 1.00 0.00 C ATOM 101 CG GLU A 6 2.630 -13.834 -4.246 1.00 0.00 C ATOM 102 CD GLU A 6 2.853 -14.563 -5.585 1.00 0.00 C ATOM 103 OE1 GLU A 6 3.744 -14.150 -6.365 1.00 0.00 O ATOM 104 OE2 GLU A 6 2.156 -15.573 -5.851 1.00 0.00 O ATOM 0 H GLU A 6 0.024 -13.168 -3.011 1.00 0.00 H new ATOM 0 HA GLU A 6 2.482 -11.858 -2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.825 -12.822 -4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.289 -11.907 -5.153 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.593 -13.578 -3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.126 -14.501 -3.546 1.00 0.00 H new ATOM 111 N LEU A 7 0.139 -9.924 -3.762 1.00 0.00 N ATOM 112 CA LEU A 7 -0.270 -8.530 -3.983 1.00 0.00 C ATOM 113 C LEU A 7 -0.271 -7.731 -2.683 1.00 0.00 C ATOM 114 O LEU A 7 0.329 -6.664 -2.600 1.00 0.00 O ATOM 115 CB LEU A 7 -1.639 -8.519 -4.677 1.00 0.00 C ATOM 116 CG LEU A 7 -1.485 -8.941 -6.144 1.00 0.00 C ATOM 117 CD1 LEU A 7 -1.795 -10.417 -6.375 1.00 0.00 C ATOM 118 CD2 LEU A 7 -2.375 -8.115 -7.069 1.00 0.00 C ATOM 0 H LEU A 7 -0.612 -10.591 -3.942 1.00 0.00 H new ATOM 0 HA LEU A 7 0.454 -8.037 -4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.322 -9.197 -4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.077 -7.522 -4.620 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.436 -8.762 -6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.668 -10.654 -7.431 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.115 -11.029 -5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.823 -10.624 -6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.236 -8.445 -8.098 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.419 -8.247 -6.783 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.107 -7.062 -6.987 1.00 0.00 H new ATOM 130 N TYR A 8 -0.859 -8.299 -1.638 1.00 0.00 N ATOM 131 CA TYR A 8 -0.760 -7.801 -0.257 1.00 0.00 C ATOM 132 C TYR A 8 0.689 -7.562 0.190 1.00 0.00 C ATOM 133 O TYR A 8 1.041 -6.463 0.624 1.00 0.00 O ATOM 134 CB TYR A 8 -1.481 -8.804 0.659 1.00 0.00 C ATOM 135 CG TYR A 8 -2.296 -8.239 1.815 1.00 0.00 C ATOM 136 CD1 TYR A 8 -1.847 -7.134 2.569 1.00 0.00 C ATOM 137 CD2 TYR A 8 -3.529 -8.845 2.142 1.00 0.00 C ATOM 138 CE1 TYR A 8 -2.633 -6.632 3.626 1.00 0.00 C ATOM 139 CE2 TYR A 8 -4.318 -8.343 3.195 1.00 0.00 C ATOM 140 CZ TYR A 8 -3.872 -7.232 3.942 1.00 0.00 C ATOM 141 OH TYR A 8 -4.621 -6.739 4.968 1.00 0.00 O ATOM 0 H TYR A 8 -1.433 -9.138 -1.721 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.238 -6.823 -0.196 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.147 -9.406 0.041 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.733 -9.480 1.073 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.899 -6.672 2.336 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.870 -9.701 1.579 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.286 -5.784 4.197 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -5.264 -8.808 3.431 1.00 0.00 H new ATOM 0 HH TYR A 8 -5.452 -7.253 5.043 1.00 0.00 H new ATOM 151 N LYS A 9 1.549 -8.572 0.022 1.00 0.00 N ATOM 152 CA LYS A 9 2.999 -8.509 0.309 1.00 0.00 C ATOM 153 C LYS A 9 3.827 -7.658 -0.677 1.00 0.00 C ATOM 154 O LYS A 9 5.039 -7.548 -0.503 1.00 0.00 O ATOM 155 CB LYS A 9 3.566 -9.936 0.479 1.00 0.00 C ATOM 156 CG LYS A 9 3.494 -10.514 1.909 1.00 0.00 C ATOM 157 CD LYS A 9 2.098 -10.669 2.546 1.00 0.00 C ATOM 158 CE LYS A 9 1.561 -9.425 3.273 1.00 0.00 C ATOM 159 NZ LYS A 9 2.250 -9.192 4.572 1.00 0.00 N ATOM 0 H LYS A 9 1.255 -9.484 -0.327 1.00 0.00 H new ATOM 0 HA LYS A 9 3.099 -7.969 1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.027 -10.605 -0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.608 -9.935 0.158 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.970 -11.495 1.900 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.092 -9.876 2.560 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.390 -10.946 1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.131 -11.497 3.254 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.687 -8.550 2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.491 -9.541 3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.856 -8.344 5.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.109 -10.015 5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.267 -9.055 4.406 1.00 0.00 H new ATOM 173 N LEU A 10 3.188 -6.985 -1.637 1.00 0.00 N ATOM 174 CA LEU A 10 3.777 -5.920 -2.467 1.00 0.00 C ATOM 175 C LEU A 10 3.206 -4.540 -2.102 1.00 0.00 C ATOM 176 O LEU A 10 3.967 -3.583 -1.975 1.00 0.00 O ATOM 177 CB LEU A 10 3.526 -6.220 -3.961 1.00 0.00 C ATOM 178 CG LEU A 10 4.350 -7.381 -4.550 1.00 0.00 C ATOM 179 CD1 LEU A 10 3.787 -7.772 -5.919 1.00 0.00 C ATOM 180 CD2 LEU A 10 5.818 -7.005 -4.744 1.00 0.00 C ATOM 0 H LEU A 10 2.212 -7.170 -1.869 1.00 0.00 H new ATOM 0 HA LEU A 10 4.850 -5.897 -2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.468 -6.443 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.738 -5.318 -4.536 1.00 0.00 H new ATOM 0 HG LEU A 10 4.285 -8.207 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.373 -8.593 -6.332 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.749 -8.086 -5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.838 -6.916 -6.592 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.359 -7.854 -5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.890 -6.158 -5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.254 -6.734 -3.783 1.00 0.00 H new ATOM 192 N GLU A 11 1.892 -4.421 -1.878 1.00 0.00 N ATOM 193 CA GLU A 11 1.224 -3.144 -1.591 1.00 0.00 C ATOM 194 C GLU A 11 1.634 -2.566 -0.227 1.00 0.00 C ATOM 195 O GLU A 11 1.993 -1.392 -0.144 1.00 0.00 O ATOM 196 CB GLU A 11 -0.300 -3.340 -1.637 1.00 0.00 C ATOM 197 CG GLU A 11 -0.873 -3.521 -3.050 1.00 0.00 C ATOM 198 CD GLU A 11 -1.255 -2.179 -3.684 1.00 0.00 C ATOM 199 OE1 GLU A 11 -2.298 -1.538 -3.464 1.00 0.00 O ATOM 200 OE2 GLU A 11 -0.582 -1.520 -4.497 1.00 0.00 O ATOM 0 H GLU A 11 1.255 -5.217 -1.891 1.00 0.00 H new ATOM 0 HA GLU A 11 1.535 -2.430 -2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.560 -4.213 -1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.779 -2.479 -1.171 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.138 -4.024 -3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.751 -4.166 -3.007 1.00 0.00 H new ATOM 207 N GLN A 12 1.645 -3.375 0.840 1.00 0.00 N ATOM 208 CA GLN A 12 2.093 -2.937 2.162 1.00 0.00 C ATOM 209 C GLN A 12 3.620 -2.741 2.228 1.00 0.00 C ATOM 210 O GLN A 12 4.108 -1.839 2.911 1.00 0.00 O ATOM 211 CB GLN A 12 1.600 -3.958 3.194 1.00 0.00 C ATOM 212 CG GLN A 12 0.339 -3.470 3.915 1.00 0.00 C ATOM 213 CD GLN A 12 0.584 -2.434 5.018 1.00 0.00 C ATOM 214 OE1 GLN A 12 1.502 -1.626 4.982 1.00 0.00 O ATOM 215 NE2 GLN A 12 -0.228 -2.417 6.055 1.00 0.00 N ATOM 0 H GLN A 12 1.344 -4.349 0.808 1.00 0.00 H new ATOM 0 HA GLN A 12 1.669 -1.957 2.381 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.392 -4.906 2.698 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.387 -4.147 3.924 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.340 -3.040 3.178 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.168 -4.331 4.352 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.001 -3.080 6.108 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.084 -1.740 6.805 1.00 0.00 H new ATOM 224 N GLN A 13 4.383 -3.530 1.460 1.00 0.00 N ATOM 225 CA GLN A 13 5.823 -3.329 1.270 1.00 0.00 C ATOM 226 C GLN A 13 6.126 -1.963 0.635 1.00 0.00 C ATOM 227 O GLN A 13 7.004 -1.241 1.109 1.00 0.00 O ATOM 228 CB GLN A 13 6.413 -4.482 0.455 1.00 0.00 C ATOM 229 CG GLN A 13 7.325 -5.380 1.307 1.00 0.00 C ATOM 230 CD GLN A 13 7.973 -6.517 0.512 1.00 0.00 C ATOM 231 OE1 GLN A 13 8.386 -6.374 -0.632 1.00 0.00 O ATOM 232 NE2 GLN A 13 8.128 -7.686 1.101 1.00 0.00 N ATOM 0 H GLN A 13 4.014 -4.332 0.949 1.00 0.00 H new ATOM 0 HA GLN A 13 6.302 -3.327 2.249 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.605 -5.080 0.035 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.981 -4.080 -0.384 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.108 -4.769 1.756 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.743 -5.804 2.125 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.791 -7.826 2.054 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.585 -8.451 0.604 1.00 0.00 H new ATOM 241 N ALA A 14 5.355 -1.571 -0.385 1.00 0.00 N ATOM 242 CA ALA A 14 5.416 -0.235 -0.968 1.00 0.00 C ATOM 243 C ALA A 14 4.987 0.847 0.041 1.00 0.00 C ATOM 244 O ALA A 14 5.697 1.839 0.192 1.00 0.00 O ATOM 245 CB ALA A 14 4.570 -0.213 -2.248 1.00 0.00 C ATOM 0 H ALA A 14 4.668 -2.180 -0.829 1.00 0.00 H new ATOM 0 HA ALA A 14 6.448 0.001 -1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.608 0.782 -2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.963 -0.942 -2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.537 -0.462 -2.006 1.00 0.00 H new ATOM 251 N MET A 15 3.883 0.661 0.779 1.00 0.00 N ATOM 252 CA MET A 15 3.400 1.634 1.778 1.00 0.00 C ATOM 253 C MET A 15 4.443 2.002 2.842 1.00 0.00 C ATOM 254 O MET A 15 4.610 3.187 3.136 1.00 0.00 O ATOM 255 CB MET A 15 2.136 1.117 2.484 1.00 0.00 C ATOM 256 CG MET A 15 0.882 1.131 1.600 1.00 0.00 C ATOM 257 SD MET A 15 -0.542 1.974 2.343 1.00 0.00 S ATOM 258 CE MET A 15 0.092 3.675 2.355 1.00 0.00 C ATOM 0 H MET A 15 3.296 -0.170 0.702 1.00 0.00 H new ATOM 0 HA MET A 15 3.179 2.537 1.210 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.315 0.098 2.828 1.00 0.00 H new ATOM 0 HB3 MET A 15 1.951 1.725 3.370 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.124 1.615 0.654 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.602 0.103 1.370 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.725 4.366 2.562 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.855 3.774 3.127 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.527 3.908 1.383 1.00 0.00 H new ATOM 268 N LYS A 16 5.189 1.022 3.376 1.00 0.00 N ATOM 269 CA LYS A 16 6.295 1.263 4.324 1.00 0.00 C ATOM 270 C LYS A 16 7.335 2.256 3.799 1.00 0.00 C ATOM 271 O LYS A 16 7.851 3.066 4.566 1.00 0.00 O ATOM 272 CB LYS A 16 7.007 -0.056 4.666 1.00 0.00 C ATOM 273 CG LYS A 16 6.402 -0.749 5.899 1.00 0.00 C ATOM 274 CD LYS A 16 7.264 -1.915 6.416 1.00 0.00 C ATOM 275 CE LYS A 16 8.620 -1.434 6.965 1.00 0.00 C ATOM 276 NZ LYS A 16 9.408 -2.548 7.557 1.00 0.00 N ATOM 0 H LYS A 16 5.044 0.035 3.163 1.00 0.00 H new ATOM 0 HA LYS A 16 5.837 1.697 5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.950 -0.729 3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.064 0.141 4.846 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.276 -0.016 6.696 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.409 -1.122 5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.723 -2.445 7.200 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.432 -2.627 5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.193 -0.972 6.161 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.454 -0.666 7.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.313 -2.181 7.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.873 -2.973 8.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.590 -3.269 6.830 1.00 0.00 H new ATOM 290 N LEU A 17 7.642 2.191 2.506 1.00 0.00 N ATOM 291 CA LEU A 17 8.656 3.006 1.852 1.00 0.00 C ATOM 292 C LEU A 17 8.092 4.352 1.427 1.00 0.00 C ATOM 293 O LEU A 17 8.738 5.383 1.599 1.00 0.00 O ATOM 294 CB LEU A 17 9.135 2.247 0.613 1.00 0.00 C ATOM 295 CG LEU A 17 9.796 0.919 0.979 1.00 0.00 C ATOM 296 CD1 LEU A 17 9.962 0.070 -0.276 1.00 0.00 C ATOM 297 CD2 LEU A 17 11.146 1.114 1.669 1.00 0.00 C ATOM 0 H LEU A 17 7.175 1.548 1.866 1.00 0.00 H new ATOM 0 HA LEU A 17 9.475 3.191 2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.289 2.061 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.843 2.865 0.060 1.00 0.00 H new ATOM 0 HG LEU A 17 9.146 0.408 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.434 -0.877 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.984 -0.121 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.587 0.601 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.576 0.141 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.820 1.654 1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.006 1.686 2.587 1.00 0.00 H new ATOM 309 N TYR A 18 6.860 4.339 0.923 1.00 0.00 N ATOM 310 CA TYR A 18 6.140 5.535 0.526 1.00 0.00 C ATOM 311 C TYR A 18 5.913 6.479 1.711 1.00 0.00 C ATOM 312 O TYR A 18 6.099 7.685 1.556 1.00 0.00 O ATOM 313 CB TYR A 18 4.823 5.133 -0.153 1.00 0.00 C ATOM 314 CG TYR A 18 4.924 5.009 -1.662 1.00 0.00 C ATOM 315 CD1 TYR A 18 5.284 6.139 -2.416 1.00 0.00 C ATOM 316 CD2 TYR A 18 4.649 3.793 -2.317 1.00 0.00 C ATOM 317 CE1 TYR A 18 5.383 6.065 -3.816 1.00 0.00 C ATOM 318 CE2 TYR A 18 4.766 3.705 -3.719 1.00 0.00 C ATOM 319 CZ TYR A 18 5.133 4.842 -4.472 1.00 0.00 C ATOM 320 OH TYR A 18 5.254 4.757 -5.822 1.00 0.00 O ATOM 0 H TYR A 18 6.330 3.480 0.779 1.00 0.00 H new ATOM 0 HA TYR A 18 6.744 6.091 -0.191 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.489 4.181 0.259 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.059 5.871 0.091 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.487 7.074 -1.915 1.00 0.00 H new ATOM 0 HD2 TYR A 18 4.348 2.928 -1.745 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.650 6.942 -4.387 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.575 2.767 -4.218 1.00 0.00 H new ATOM 0 HH TYR A 18 5.932 5.394 -6.130 1.00 0.00 H new ATOM 330 N ARG A 19 5.584 5.963 2.907 1.00 0.00 N ATOM 331 CA ARG A 19 5.436 6.809 4.105 1.00 0.00 C ATOM 332 C ARG A 19 6.776 7.323 4.635 1.00 0.00 C ATOM 333 O ARG A 19 6.829 8.452 5.118 1.00 0.00 O ATOM 334 CB ARG A 19 4.554 6.120 5.167 1.00 0.00 C ATOM 335 CG ARG A 19 5.206 4.970 5.952 1.00 0.00 C ATOM 336 CD ARG A 19 5.913 5.448 7.229 1.00 0.00 C ATOM 337 NE ARG A 19 6.619 4.339 7.901 1.00 0.00 N ATOM 338 CZ ARG A 19 6.865 4.224 9.196 1.00 0.00 C ATOM 339 NH1 ARG A 19 6.492 5.125 10.060 1.00 0.00 N ATOM 340 NH2 ARG A 19 7.501 3.185 9.655 1.00 0.00 N ATOM 0 H ARG A 19 5.416 4.970 3.071 1.00 0.00 H new ATOM 0 HA ARG A 19 4.902 7.713 3.812 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.223 6.876 5.879 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.662 5.735 4.673 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.443 4.238 6.217 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.927 4.462 5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.624 6.236 6.980 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.182 5.882 7.911 1.00 0.00 H new ATOM 0 HE ARG A 19 6.952 3.582 7.304 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.991 5.956 9.746 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.701 4.999 11.050 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.813 2.454 9.015 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.688 3.102 10.654 1.00 0.00 H new ATOM 354 N GLU A 20 7.863 6.556 4.493 1.00 0.00 N ATOM 355 CA GLU A 20 9.220 7.013 4.838 1.00 0.00 C ATOM 356 C GLU A 20 9.633 8.175 3.931 1.00 0.00 C ATOM 357 O GLU A 20 9.974 9.255 4.406 1.00 0.00 O ATOM 358 CB GLU A 20 10.209 5.845 4.688 1.00 0.00 C ATOM 359 CG GLU A 20 11.469 5.970 5.562 1.00 0.00 C ATOM 360 CD GLU A 20 12.455 7.064 5.099 1.00 0.00 C ATOM 361 OE1 GLU A 20 12.870 7.057 3.916 1.00 0.00 O ATOM 362 OE2 GLU A 20 12.861 7.908 5.935 1.00 0.00 O ATOM 0 H GLU A 20 7.830 5.601 4.136 1.00 0.00 H new ATOM 0 HA GLU A 20 9.229 7.360 5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.697 4.916 4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.511 5.771 3.643 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.166 6.180 6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.987 5.011 5.572 1.00 0.00 H new ATOM 369 N ALA A 21 9.509 7.966 2.621 1.00 0.00 N ATOM 370 CA ALA A 21 9.760 8.974 1.593 1.00 0.00 C ATOM 371 C ALA A 21 8.898 10.236 1.784 1.00 0.00 C ATOM 372 O ALA A 21 9.421 11.348 1.726 1.00 0.00 O ATOM 373 CB ALA A 21 9.538 8.338 0.216 1.00 0.00 C ATOM 0 H ALA A 21 9.223 7.066 2.235 1.00 0.00 H new ATOM 0 HA ALA A 21 10.793 9.310 1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.722 9.080 -0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.223 7.500 0.088 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.511 7.981 0.141 1.00 0.00 H new ATOM 379 N SER A 22 7.599 10.090 2.069 1.00 0.00 N ATOM 380 CA SER A 22 6.696 11.220 2.343 1.00 0.00 C ATOM 381 C SER A 22 7.144 12.037 3.552 1.00 0.00 C ATOM 382 O SER A 22 7.249 13.260 3.472 1.00 0.00 O ATOM 383 CB SER A 22 5.272 10.708 2.583 1.00 0.00 C ATOM 384 OG SER A 22 4.315 11.728 2.354 1.00 0.00 O ATOM 0 H SER A 22 7.140 9.181 2.117 1.00 0.00 H new ATOM 0 HA SER A 22 6.722 11.870 1.468 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.071 9.863 1.925 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.181 10.344 3.606 1.00 0.00 H new ATOM 0 HG SER A 22 3.415 11.374 2.513 1.00 0.00 H new ATOM 390 N GLU A 23 7.462 11.366 4.660 1.00 0.00 N ATOM 391 CA GLU A 23 8.001 12.004 5.872 1.00 0.00 C ATOM 392 C GLU A 23 9.349 12.711 5.616 1.00 0.00 C ATOM 393 O GLU A 23 9.564 13.832 6.089 1.00 0.00 O ATOM 394 CB GLU A 23 8.103 10.946 6.988 1.00 0.00 C ATOM 395 CG GLU A 23 8.422 11.524 8.377 1.00 0.00 C ATOM 396 CD GLU A 23 9.831 11.132 8.866 1.00 0.00 C ATOM 397 OE1 GLU A 23 9.979 10.049 9.485 1.00 0.00 O ATOM 398 OE2 GLU A 23 10.793 11.909 8.662 1.00 0.00 O ATOM 0 H GLU A 23 7.353 10.356 4.747 1.00 0.00 H new ATOM 0 HA GLU A 23 7.318 12.793 6.188 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.162 10.399 7.042 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.876 10.225 6.720 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.341 12.610 8.343 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.680 11.171 9.094 1.00 0.00 H new ATOM 405 N ARG A 24 10.234 12.093 4.820 1.00 0.00 N ATOM 406 CA ARG A 24 11.573 12.606 4.477 1.00 0.00 C ATOM 407 C ARG A 24 11.561 13.785 3.490 1.00 0.00 C ATOM 408 O ARG A 24 12.438 14.646 3.577 1.00 0.00 O ATOM 409 CB ARG A 24 12.406 11.432 3.919 1.00 0.00 C ATOM 410 CG ARG A 24 13.927 11.660 3.889 1.00 0.00 C ATOM 411 CD ARG A 24 14.575 11.738 5.281 1.00 0.00 C ATOM 412 NE ARG A 24 14.395 10.486 6.044 1.00 0.00 N ATOM 413 CZ ARG A 24 14.993 10.135 7.165 1.00 0.00 C ATOM 414 NH1 ARG A 24 15.875 10.886 7.765 1.00 0.00 N ATOM 415 NH2 ARG A 24 14.696 8.988 7.694 1.00 0.00 N ATOM 0 H ARG A 24 10.033 11.194 4.382 1.00 0.00 H new ATOM 0 HA ARG A 24 12.017 13.009 5.387 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.200 10.545 4.518 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.067 11.218 2.905 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.394 10.851 3.327 1.00 0.00 H new ATOM 0 HG3 ARG A 24 14.135 12.585 3.350 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.639 11.948 5.175 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.140 12.568 5.838 1.00 0.00 H new ATOM 0 HE ARG A 24 13.731 9.815 5.658 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.130 11.790 7.368 1.00 0.00 H new ATOM 0 HH12 ARG A 24 16.310 10.569 8.631 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.013 8.380 7.243 1.00 0.00 H new ATOM 0 HH22 ARG A 24 15.146 8.695 8.561 1.00 0.00 H new ATOM 429 N VAL A 25 10.593 13.840 2.565 1.00 0.00 N ATOM 430 CA VAL A 25 10.604 14.759 1.402 1.00 0.00 C ATOM 431 C VAL A 25 9.499 15.826 1.472 1.00 0.00 C ATOM 432 O VAL A 25 9.726 16.968 1.071 1.00 0.00 O ATOM 433 CB VAL A 25 10.525 13.954 0.086 1.00 0.00 C ATOM 434 CG1 VAL A 25 10.506 14.833 -1.170 1.00 0.00 C ATOM 435 CG2 VAL A 25 11.719 12.998 -0.062 1.00 0.00 C ATOM 0 H VAL A 25 9.767 13.243 2.597 1.00 0.00 H new ATOM 0 HA VAL A 25 11.548 15.302 1.429 1.00 0.00 H new ATOM 0 HB VAL A 25 9.584 13.409 0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.450 14.200 -2.056 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.639 15.493 -1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.416 15.432 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 25 11.631 12.448 -0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.646 13.571 -0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.728 12.296 0.772 1.00 0.00 H new ATOM 445 N GLY A 26 8.327 15.499 2.023 1.00 0.00 N ATOM 446 CA GLY A 26 7.240 16.449 2.303 1.00 0.00 C ATOM 447 C GLY A 26 6.385 16.895 1.104 1.00 0.00 C ATOM 448 O GLY A 26 5.492 17.725 1.281 1.00 0.00 O ATOM 0 H GLY A 26 8.099 14.543 2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.579 16.000 3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.675 17.338 2.760 1.00 0.00 H new ATOM 452 N ASP A 27 6.628 16.381 -0.109 1.00 0.00 N ATOM 453 CA ASP A 27 5.814 16.691 -1.298 1.00 0.00 C ATOM 454 C ASP A 27 4.355 16.191 -1.157 1.00 0.00 C ATOM 455 O ASP A 27 4.132 15.083 -0.653 1.00 0.00 O ATOM 456 CB ASP A 27 6.466 16.102 -2.562 1.00 0.00 C ATOM 457 CG ASP A 27 7.338 17.146 -3.281 1.00 0.00 C ATOM 458 OD1 ASP A 27 6.773 17.996 -4.009 1.00 0.00 O ATOM 459 OD2 ASP A 27 8.580 17.127 -3.120 1.00 0.00 O ATOM 0 H ASP A 27 7.396 15.737 -0.297 1.00 0.00 H new ATOM 0 HA ASP A 27 5.774 17.776 -1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.076 15.240 -2.291 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.691 15.744 -3.240 1.00 0.00 H new ATOM 464 N PRO A 28 3.343 16.953 -1.622 1.00 0.00 N ATOM 465 CA PRO A 28 1.935 16.613 -1.406 1.00 0.00 C ATOM 466 C PRO A 28 1.478 15.382 -2.201 1.00 0.00 C ATOM 467 O PRO A 28 0.718 14.568 -1.679 1.00 0.00 O ATOM 468 CB PRO A 28 1.147 17.873 -1.786 1.00 0.00 C ATOM 469 CG PRO A 28 2.057 18.590 -2.782 1.00 0.00 C ATOM 470 CD PRO A 28 3.459 18.246 -2.282 1.00 0.00 C ATOM 0 HA PRO A 28 1.765 16.327 -0.368 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.185 17.623 -2.233 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.942 18.494 -0.914 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.895 18.238 -3.801 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.883 19.666 -2.785 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.168 18.200 -3.109 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.824 19.006 -1.591 1.00 0.00 H new ATOM 478 N VAL A 29 1.962 15.186 -3.435 1.00 0.00 N ATOM 479 CA VAL A 29 1.611 14.007 -4.257 1.00 0.00 C ATOM 480 C VAL A 29 2.109 12.687 -3.647 1.00 0.00 C ATOM 481 O VAL A 29 1.460 11.651 -3.789 1.00 0.00 O ATOM 482 CB VAL A 29 2.060 14.203 -5.719 1.00 0.00 C ATOM 483 CG1 VAL A 29 3.578 14.137 -5.928 1.00 0.00 C ATOM 484 CG2 VAL A 29 1.393 13.193 -6.654 1.00 0.00 C ATOM 0 H VAL A 29 2.604 15.832 -3.894 1.00 0.00 H new ATOM 0 HA VAL A 29 0.524 13.924 -4.262 1.00 0.00 H new ATOM 0 HB VAL A 29 1.740 15.216 -5.964 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.807 14.285 -6.983 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.061 14.917 -5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.947 13.162 -5.610 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.734 13.362 -7.675 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.658 12.182 -6.346 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.311 13.314 -6.608 1.00 0.00 H new ATOM 494 N LEU A 30 3.200 12.724 -2.873 1.00 0.00 N ATOM 495 CA LEU A 30 3.668 11.587 -2.077 1.00 0.00 C ATOM 496 C LEU A 30 2.658 11.193 -0.982 1.00 0.00 C ATOM 497 O LEU A 30 2.422 10.004 -0.767 1.00 0.00 O ATOM 498 CB LEU A 30 5.063 11.925 -1.497 1.00 0.00 C ATOM 499 CG LEU A 30 6.211 11.130 -2.142 1.00 0.00 C ATOM 500 CD1 LEU A 30 7.569 11.700 -1.730 1.00 0.00 C ATOM 501 CD2 LEU A 30 6.165 9.665 -1.719 1.00 0.00 C ATOM 0 H LEU A 30 3.787 13.553 -2.782 1.00 0.00 H new ATOM 0 HA LEU A 30 3.756 10.711 -2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.253 12.990 -1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.057 11.732 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 30 6.086 11.209 -3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.364 11.121 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.640 12.739 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.672 11.647 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.987 9.125 -2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.258 9.596 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.217 9.226 -2.031 1.00 0.00 H new ATOM 513 N ALA A 31 1.987 12.166 -0.355 1.00 0.00 N ATOM 514 CA ALA A 31 0.883 11.914 0.574 1.00 0.00 C ATOM 515 C ALA A 31 -0.407 11.436 -0.133 1.00 0.00 C ATOM 516 O ALA A 31 -1.145 10.626 0.431 1.00 0.00 O ATOM 517 CB ALA A 31 0.637 13.174 1.413 1.00 0.00 C ATOM 0 H ALA A 31 2.197 13.156 -0.480 1.00 0.00 H new ATOM 0 HA ALA A 31 1.172 11.091 1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.184 12.994 2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.539 13.420 1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.381 14.005 0.755 1.00 0.00 H new ATOM 523 N LYS A 32 -0.672 11.864 -1.379 1.00 0.00 N ATOM 524 CA LYS A 32 -1.799 11.348 -2.191 1.00 0.00 C ATOM 525 C LYS A 32 -1.679 9.853 -2.490 1.00 0.00 C ATOM 526 O LYS A 32 -2.679 9.138 -2.431 1.00 0.00 O ATOM 527 CB LYS A 32 -1.964 12.127 -3.508 1.00 0.00 C ATOM 528 CG LYS A 32 -2.276 13.619 -3.332 1.00 0.00 C ATOM 529 CD LYS A 32 -3.628 13.888 -2.654 1.00 0.00 C ATOM 530 CE LYS A 32 -3.889 15.398 -2.579 1.00 0.00 C ATOM 531 NZ LYS A 32 -5.198 15.696 -1.939 1.00 0.00 N ATOM 0 H LYS A 32 -0.116 12.575 -1.855 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.689 11.498 -1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.049 12.027 -4.091 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.764 11.668 -4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.484 14.080 -2.741 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.267 14.102 -4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.427 13.400 -3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.632 13.460 -1.652 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.090 15.878 -2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.869 15.822 -3.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.341 16.725 -1.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.962 15.258 -2.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.207 15.313 -0.972 1.00 0.00 H new ATOM 545 N ILE A 33 -0.461 9.360 -2.720 1.00 0.00 N ATOM 546 CA ILE A 33 -0.195 7.911 -2.802 1.00 0.00 C ATOM 547 C ILE A 33 -0.617 7.194 -1.517 1.00 0.00 C ATOM 548 O ILE A 33 -1.263 6.151 -1.602 1.00 0.00 O ATOM 549 CB ILE A 33 1.261 7.630 -3.222 1.00 0.00 C ATOM 550 CG1 ILE A 33 1.420 8.135 -4.674 1.00 0.00 C ATOM 551 CG2 ILE A 33 1.597 6.130 -3.107 1.00 0.00 C ATOM 552 CD1 ILE A 33 2.816 7.947 -5.252 1.00 0.00 C ATOM 0 H ILE A 33 0.366 9.942 -2.854 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.816 7.490 -3.593 1.00 0.00 H new ATOM 0 HB ILE A 33 1.957 8.147 -2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.703 7.614 -5.308 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.165 9.194 -4.708 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.631 5.964 -3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.465 5.806 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.933 5.558 -3.755 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.841 8.327 -6.273 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.538 8.492 -4.644 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.069 6.887 -5.253 1.00 0.00 H new ATOM 564 N LEU A 34 -0.355 7.757 -0.334 1.00 0.00 N ATOM 565 CA LEU A 34 -0.789 7.131 0.919 1.00 0.00 C ATOM 566 C LEU A 34 -2.315 7.012 1.032 1.00 0.00 C ATOM 567 O LEU A 34 -2.821 5.968 1.437 1.00 0.00 O ATOM 568 CB LEU A 34 -0.200 7.848 2.150 1.00 0.00 C ATOM 569 CG LEU A 34 1.326 8.042 2.142 1.00 0.00 C ATOM 570 CD1 LEU A 34 1.771 8.766 3.413 1.00 0.00 C ATOM 571 CD2 LEU A 34 2.084 6.719 2.057 1.00 0.00 C ATOM 0 H LEU A 34 0.150 8.636 -0.217 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.395 6.115 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.672 8.827 2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.471 7.282 3.041 1.00 0.00 H new ATOM 0 HG LEU A 34 1.558 8.631 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.853 8.898 3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.287 9.741 3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.491 8.175 4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.156 6.914 2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.830 6.098 2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.808 6.200 1.139 1.00 0.00 H new ATOM 583 N GLU A 35 -3.051 8.038 0.605 1.00 0.00 N ATOM 584 CA GLU A 35 -4.504 8.030 0.537 1.00 0.00 C ATOM 585 C GLU A 35 -5.041 6.969 -0.432 1.00 0.00 C ATOM 586 O GLU A 35 -6.019 6.292 -0.124 1.00 0.00 O ATOM 587 CB GLU A 35 -4.935 9.434 0.100 1.00 0.00 C ATOM 588 CG GLU A 35 -5.354 10.302 1.285 1.00 0.00 C ATOM 589 CD GLU A 35 -6.828 10.093 1.694 1.00 0.00 C ATOM 590 OE1 GLU A 35 -7.314 8.936 1.693 1.00 0.00 O ATOM 591 OE2 GLU A 35 -7.519 11.093 2.002 1.00 0.00 O ATOM 0 H GLU A 35 -2.639 8.917 0.290 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.916 7.772 1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.113 9.916 -0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.765 9.356 -0.603 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.711 10.079 2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.198 11.351 1.033 1.00 0.00 H new ATOM 598 N ASP A 36 -4.403 6.794 -1.589 1.00 0.00 N ATOM 599 CA ASP A 36 -4.800 5.823 -2.603 1.00 0.00 C ATOM 600 C ASP A 36 -4.542 4.367 -2.171 1.00 0.00 C ATOM 601 O ASP A 36 -5.453 3.538 -2.210 1.00 0.00 O ATOM 602 CB ASP A 36 -4.014 6.128 -3.879 1.00 0.00 C ATOM 603 CG ASP A 36 -4.480 7.364 -4.664 1.00 0.00 C ATOM 604 OD1 ASP A 36 -5.645 7.808 -4.523 1.00 0.00 O ATOM 605 OD2 ASP A 36 -3.668 7.846 -5.488 1.00 0.00 O ATOM 0 H ASP A 36 -3.579 7.335 -1.851 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.875 5.913 -2.762 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.965 6.261 -3.615 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.070 5.260 -4.536 1.00 0.00 H new ATOM 610 N GLU A 37 -3.320 4.042 -1.733 1.00 0.00 N ATOM 611 CA GLU A 37 -2.959 2.680 -1.308 1.00 0.00 C ATOM 612 C GLU A 37 -3.752 2.226 -0.062 1.00 0.00 C ATOM 613 O GLU A 37 -4.006 1.034 0.095 1.00 0.00 O ATOM 614 CB GLU A 37 -1.446 2.578 -1.030 1.00 0.00 C ATOM 615 CG GLU A 37 -0.480 2.982 -2.162 1.00 0.00 C ATOM 616 CD GLU A 37 -0.477 2.077 -3.405 1.00 0.00 C ATOM 617 OE1 GLU A 37 -1.248 1.094 -3.513 1.00 0.00 O ATOM 618 OE2 GLU A 37 0.251 2.353 -4.395 1.00 0.00 O ATOM 0 H GLU A 37 -2.554 4.712 -1.662 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.221 2.014 -2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.222 3.197 -0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.225 1.547 -0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.726 3.996 -2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.531 3.010 -1.756 1.00 0.00 H new ATOM 625 N GLU A 38 -4.216 3.145 0.796 1.00 0.00 N ATOM 626 CA GLU A 38 -5.118 2.807 1.909 1.00 0.00 C ATOM 627 C GLU A 38 -6.460 2.209 1.441 1.00 0.00 C ATOM 628 O GLU A 38 -6.918 1.229 2.036 1.00 0.00 O ATOM 629 CB GLU A 38 -5.365 4.025 2.818 1.00 0.00 C ATOM 630 CG GLU A 38 -4.275 4.171 3.888 1.00 0.00 C ATOM 631 CD GLU A 38 -4.586 5.336 4.848 1.00 0.00 C ATOM 632 OE1 GLU A 38 -5.473 5.179 5.725 1.00 0.00 O ATOM 633 OE2 GLU A 38 -3.940 6.409 4.762 1.00 0.00 O ATOM 0 H GLU A 38 -3.980 4.136 0.741 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.607 2.034 2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.401 4.930 2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.337 3.926 3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.191 3.243 4.454 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.311 4.340 3.408 1.00 0.00 H new ATOM 640 N LYS A 39 -7.072 2.718 0.355 1.00 0.00 N ATOM 641 CA LYS A 39 -8.255 2.072 -0.247 1.00 0.00 C ATOM 642 C LYS A 39 -7.905 0.709 -0.839 1.00 0.00 C ATOM 643 O LYS A 39 -8.675 -0.239 -0.698 1.00 0.00 O ATOM 644 CB LYS A 39 -8.900 2.922 -1.358 1.00 0.00 C ATOM 645 CG LYS A 39 -9.722 4.130 -0.890 1.00 0.00 C ATOM 646 CD LYS A 39 -8.862 5.347 -0.541 1.00 0.00 C ATOM 647 CE LYS A 39 -9.736 6.591 -0.351 1.00 0.00 C ATOM 648 NZ LYS A 39 -8.916 7.826 -0.269 1.00 0.00 N ATOM 0 H LYS A 39 -6.770 3.568 -0.121 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.968 1.959 0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.111 3.279 -2.019 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -9.546 2.277 -1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.429 4.405 -1.673 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.309 3.845 -0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.298 5.150 0.370 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.135 5.525 -1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.438 6.674 -1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.328 6.485 0.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.527 8.658 -0.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.454 7.875 0.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.191 7.812 -1.015 1.00 0.00 H new ATOM 662 N HIS A 40 -6.742 0.590 -1.485 1.00 0.00 N ATOM 663 CA HIS A 40 -6.347 -0.605 -2.225 1.00 0.00 C ATOM 664 C HIS A 40 -6.265 -1.873 -1.376 1.00 0.00 C ATOM 665 O HIS A 40 -6.632 -2.921 -1.881 1.00 0.00 O ATOM 666 CB HIS A 40 -4.988 -0.374 -2.878 1.00 0.00 C ATOM 667 CG HIS A 40 -4.910 0.604 -4.016 1.00 0.00 C ATOM 668 ND1 HIS A 40 -3.763 0.799 -4.801 1.00 0.00 N ATOM 669 CD2 HIS A 40 -5.910 1.416 -4.464 1.00 0.00 C ATOM 670 CE1 HIS A 40 -4.119 1.754 -5.692 1.00 0.00 C ATOM 671 NE2 HIS A 40 -5.396 2.128 -5.519 1.00 0.00 N ATOM 0 H HIS A 40 -6.042 1.331 -1.507 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.132 -0.768 -2.964 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -4.297 -0.041 -2.103 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.623 -1.336 -3.238 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -2.863 0.327 -4.719 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -6.912 1.485 -4.066 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.461 2.162 -6.445 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -5.898 2.821 -6.075 1.00 0.00 H new ATOM 679 N ILE A 41 -5.813 -1.789 -0.122 1.00 0.00 N ATOM 680 CA ILE A 41 -5.675 -2.887 0.854 1.00 0.00 C ATOM 681 C ILE A 41 -7.053 -3.279 1.417 1.00 0.00 C ATOM 682 O ILE A 41 -7.347 -4.463 1.573 1.00 0.00 O ATOM 683 CB ILE A 41 -4.767 -2.440 2.033 1.00 0.00 C ATOM 684 CG1 ILE A 41 -3.321 -2.072 1.633 1.00 0.00 C ATOM 685 CG2 ILE A 41 -4.731 -3.486 3.165 1.00 0.00 C ATOM 686 CD1 ILE A 41 -2.451 -3.223 1.117 1.00 0.00 C ATOM 0 H ILE A 41 -5.513 -0.896 0.270 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.230 -3.742 0.345 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.239 -1.524 2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.363 -1.302 0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.827 -1.630 2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.084 -3.131 3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.739 -3.639 3.552 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.344 -4.429 2.777 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.459 -2.846 0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.365 -3.988 1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.909 -3.655 0.227 1.00 0.00 H new ATOM 698 N GLU A 42 -7.924 -2.301 1.692 1.00 0.00 N ATOM 699 CA GLU A 42 -9.318 -2.570 2.072 1.00 0.00 C ATOM 700 C GLU A 42 -10.047 -3.307 0.940 1.00 0.00 C ATOM 701 O GLU A 42 -10.700 -4.324 1.178 1.00 0.00 O ATOM 702 CB GLU A 42 -10.052 -1.263 2.419 1.00 0.00 C ATOM 703 CG GLU A 42 -9.545 -0.583 3.698 1.00 0.00 C ATOM 704 CD GLU A 42 -9.937 -1.370 4.965 1.00 0.00 C ATOM 705 OE1 GLU A 42 -11.084 -1.212 5.450 1.00 0.00 O ATOM 706 OE2 GLU A 42 -9.100 -2.143 5.491 1.00 0.00 O ATOM 0 H GLU A 42 -7.687 -1.310 1.658 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.314 -3.205 2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.949 -0.568 1.585 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.116 -1.474 2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.460 -0.487 3.652 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.952 0.426 3.758 1.00 0.00 H new ATOM 713 N TRP A 43 -9.863 -2.858 -0.305 1.00 0.00 N ATOM 714 CA TRP A 43 -10.309 -3.569 -1.503 1.00 0.00 C ATOM 715 C TRP A 43 -9.596 -4.920 -1.691 1.00 0.00 C ATOM 716 O TRP A 43 -10.251 -5.880 -2.095 1.00 0.00 O ATOM 717 CB TRP A 43 -10.157 -2.657 -2.731 1.00 0.00 C ATOM 718 CG TRP A 43 -10.978 -1.391 -2.734 1.00 0.00 C ATOM 719 CD1 TRP A 43 -12.168 -1.215 -2.110 1.00 0.00 C ATOM 720 CD2 TRP A 43 -10.710 -0.126 -3.424 1.00 0.00 C ATOM 721 NE1 TRP A 43 -12.652 0.054 -2.365 1.00 0.00 N ATOM 722 CE2 TRP A 43 -11.802 0.765 -3.183 1.00 0.00 C ATOM 723 CE3 TRP A 43 -9.670 0.360 -4.247 1.00 0.00 C ATOM 724 CZ2 TRP A 43 -11.862 2.055 -3.730 1.00 0.00 C ATOM 725 CZ3 TRP A 43 -9.722 1.651 -4.812 1.00 0.00 C ATOM 726 CH2 TRP A 43 -10.813 2.499 -4.553 1.00 0.00 C ATOM 0 H TRP A 43 -9.393 -1.977 -0.510 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.364 -3.814 -1.379 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.106 -2.383 -2.824 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -10.416 -3.234 -3.619 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.665 -1.957 -1.503 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.529 0.419 -1.994 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -8.817 -0.271 -4.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.704 2.699 -3.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -8.918 1.991 -5.448 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -10.845 3.488 -4.985 1.00 0.00 H new ATOM 737 N LEU A 44 -8.307 -5.040 -1.339 1.00 0.00 N ATOM 738 CA LEU A 44 -7.538 -6.301 -1.404 1.00 0.00 C ATOM 739 C LEU A 44 -8.198 -7.414 -0.579 1.00 0.00 C ATOM 740 O LEU A 44 -8.434 -8.525 -1.051 1.00 0.00 O ATOM 741 CB LEU A 44 -6.121 -6.016 -0.867 1.00 0.00 C ATOM 742 CG LEU A 44 -4.963 -6.769 -1.499 1.00 0.00 C ATOM 743 CD1 LEU A 44 -3.653 -6.176 -1.011 1.00 0.00 C ATOM 744 CD2 LEU A 44 -4.992 -8.275 -1.275 1.00 0.00 C ATOM 0 H LEU A 44 -7.757 -4.253 -0.995 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.503 -6.648 -2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.928 -4.949 -0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.118 -6.231 0.202 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.062 -6.644 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.819 -6.714 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.602 -5.125 -1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.596 -6.263 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.129 -8.732 -1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.960 -8.484 -0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.907 -8.688 -1.699 1.00 0.00 H new ATOM 756 N GLU A 45 -8.523 -7.079 0.666 1.00 0.00 N ATOM 757 CA GLU A 45 -9.196 -7.967 1.614 1.00 0.00 C ATOM 758 C GLU A 45 -10.678 -8.189 1.267 1.00 0.00 C ATOM 759 O GLU A 45 -11.170 -9.313 1.357 1.00 0.00 O ATOM 760 CB GLU A 45 -9.030 -7.392 3.028 1.00 0.00 C ATOM 761 CG GLU A 45 -9.094 -8.490 4.096 1.00 0.00 C ATOM 762 CD GLU A 45 -8.594 -7.968 5.456 1.00 0.00 C ATOM 763 OE1 GLU A 45 -7.358 -7.938 5.677 1.00 0.00 O ATOM 764 OE2 GLU A 45 -9.431 -7.603 6.319 1.00 0.00 O ATOM 0 H GLU A 45 -8.321 -6.158 1.056 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.731 -8.951 1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.076 -6.870 3.099 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.811 -6.655 3.216 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.119 -8.847 4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.488 -9.341 3.784 1.00 0.00 H new ATOM 771 N THR A 46 -11.379 -7.152 0.791 1.00 0.00 N ATOM 772 CA THR A 46 -12.768 -7.254 0.286 1.00 0.00 C ATOM 773 C THR A 46 -12.886 -8.251 -0.876 1.00 0.00 C ATOM 774 O THR A 46 -13.806 -9.068 -0.904 1.00 0.00 O ATOM 775 CB THR A 46 -13.322 -5.885 -0.144 1.00 0.00 C ATOM 776 OG1 THR A 46 -13.338 -4.992 0.949 1.00 0.00 O ATOM 777 CG2 THR A 46 -14.761 -5.938 -0.664 1.00 0.00 C ATOM 0 H THR A 46 -11.000 -6.206 0.742 1.00 0.00 H new ATOM 0 HA THR A 46 -13.367 -7.624 1.118 1.00 0.00 H new ATOM 0 HB THR A 46 -12.659 -5.558 -0.945 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.458 -4.571 1.040 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.082 -4.936 -0.948 1.00 0.00 H new ATOM 0 HG22 THR A 46 -14.810 -6.594 -1.533 1.00 0.00 H new ATOM 0 HG23 THR A 46 -15.417 -6.321 0.118 1.00 0.00 H new ATOM 785 N ILE A 47 -11.911 -8.259 -1.793 1.00 0.00 N ATOM 786 CA ILE A 47 -11.746 -9.244 -2.884 1.00 0.00 C ATOM 787 C ILE A 47 -11.581 -10.711 -2.413 1.00 0.00 C ATOM 788 O ILE A 47 -11.675 -11.647 -3.209 1.00 0.00 O ATOM 789 CB ILE A 47 -10.619 -8.728 -3.826 1.00 0.00 C ATOM 790 CG1 ILE A 47 -11.117 -7.579 -4.737 1.00 0.00 C ATOM 791 CG2 ILE A 47 -9.895 -9.786 -4.668 1.00 0.00 C ATOM 792 CD1 ILE A 47 -12.061 -7.981 -5.880 1.00 0.00 C ATOM 0 H ILE A 47 -11.179 -7.549 -1.800 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.676 -9.310 -3.449 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.867 -8.362 -3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.627 -6.844 -4.114 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.248 -7.083 -5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.134 -9.304 -5.282 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.422 -10.514 -4.009 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.614 -10.292 -5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.342 -7.094 -6.448 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.556 -8.688 -6.538 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.956 -8.446 -5.466 1.00 0.00 H new ATOM 804 N ASN A 48 -11.440 -10.921 -1.106 1.00 0.00 N ATOM 805 CA ASN A 48 -11.299 -12.224 -0.437 1.00 0.00 C ATOM 806 C ASN A 48 -12.393 -12.511 0.622 1.00 0.00 C ATOM 807 O ASN A 48 -12.425 -13.602 1.200 1.00 0.00 O ATOM 808 CB ASN A 48 -9.884 -12.278 0.167 1.00 0.00 C ATOM 809 CG ASN A 48 -9.471 -13.675 0.614 1.00 0.00 C ATOM 810 OD1 ASN A 48 -9.688 -14.670 -0.065 1.00 0.00 O ATOM 811 ND2 ASN A 48 -8.844 -13.799 1.763 1.00 0.00 N ATOM 0 H ASN A 48 -11.419 -10.146 -0.443 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.438 -13.014 -1.175 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.168 -11.914 -0.570 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.835 -11.602 1.021 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.542 -14.719 2.083 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.659 -12.975 2.335 1.00 0.00 H new ATOM 858 N TYR B 3 15.731 5.729 -3.204 1.00 0.00 N ATOM 859 CA TYR B 3 14.449 5.085 -2.863 1.00 0.00 C ATOM 860 C TYR B 3 13.497 4.992 -4.068 1.00 0.00 C ATOM 861 O TYR B 3 12.867 3.960 -4.261 1.00 0.00 O ATOM 862 CB TYR B 3 13.779 5.823 -1.688 1.00 0.00 C ATOM 863 CG TYR B 3 13.296 7.229 -2.001 1.00 0.00 C ATOM 864 CD1 TYR B 3 14.189 8.318 -1.953 1.00 0.00 C ATOM 865 CD2 TYR B 3 11.954 7.440 -2.371 1.00 0.00 C ATOM 866 CE1 TYR B 3 13.743 9.611 -2.289 1.00 0.00 C ATOM 867 CE2 TYR B 3 11.505 8.729 -2.715 1.00 0.00 C ATOM 868 CZ TYR B 3 12.400 9.820 -2.674 1.00 0.00 C ATOM 869 OH TYR B 3 11.980 11.070 -3.011 1.00 0.00 O ATOM 0 HA TYR B 3 14.670 4.061 -2.561 1.00 0.00 H new ATOM 0 HB2 TYR B 3 12.930 5.232 -1.345 1.00 0.00 H new ATOM 0 HB3 TYR B 3 14.487 5.874 -0.861 1.00 0.00 H new ATOM 0 HD1 TYR B 3 15.216 8.161 -1.658 1.00 0.00 H new ATOM 0 HD2 TYR B 3 11.265 6.608 -2.391 1.00 0.00 H new ATOM 0 HE1 TYR B 3 14.429 10.444 -2.252 1.00 0.00 H new ATOM 0 HE2 TYR B 3 10.478 8.883 -3.010 1.00 0.00 H new ATOM 0 HH TYR B 3 11.031 11.042 -3.252 1.00 0.00 H new ATOM 879 N LEU B 4 13.457 6.017 -4.927 1.00 0.00 N ATOM 880 CA LEU B 4 12.717 6.134 -6.193 1.00 0.00 C ATOM 881 C LEU B 4 12.748 4.847 -7.038 1.00 0.00 C ATOM 882 O LEU B 4 11.713 4.316 -7.426 1.00 0.00 O ATOM 883 CB LEU B 4 13.380 7.305 -6.931 1.00 0.00 C ATOM 884 CG LEU B 4 13.250 8.665 -6.216 1.00 0.00 C ATOM 885 CD1 LEU B 4 14.364 9.607 -6.667 1.00 0.00 C ATOM 886 CD2 LEU B 4 11.881 9.289 -6.470 1.00 0.00 C ATOM 0 H LEU B 4 13.991 6.865 -4.738 1.00 0.00 H new ATOM 0 HA LEU B 4 11.657 6.303 -6.005 1.00 0.00 H new ATOM 0 HB2 LEU B 4 14.438 7.080 -7.068 1.00 0.00 H new ATOM 0 HB3 LEU B 4 12.940 7.388 -7.925 1.00 0.00 H new ATOM 0 HG LEU B 4 13.347 8.498 -5.143 1.00 0.00 H new ATOM 0 HD11 LEU B 4 14.261 10.564 -6.155 1.00 0.00 H new ATOM 0 HD12 LEU B 4 15.332 9.168 -6.425 1.00 0.00 H new ATOM 0 HD13 LEU B 4 14.295 9.762 -7.744 1.00 0.00 H new ATOM 0 HD21 LEU B 4 11.816 10.247 -5.954 1.00 0.00 H new ATOM 0 HD22 LEU B 4 11.744 9.443 -7.540 1.00 0.00 H new ATOM 0 HD23 LEU B 4 11.103 8.623 -6.097 1.00 0.00 H new ATOM 898 N ARG B 5 13.938 4.289 -7.269 1.00 0.00 N ATOM 899 CA ARG B 5 14.118 3.019 -7.996 1.00 0.00 C ATOM 900 C ARG B 5 13.471 1.821 -7.296 1.00 0.00 C ATOM 901 O ARG B 5 12.857 0.996 -7.964 1.00 0.00 O ATOM 902 CB ARG B 5 15.627 2.822 -8.225 1.00 0.00 C ATOM 903 CG ARG B 5 15.943 1.640 -9.152 1.00 0.00 C ATOM 904 CD ARG B 5 17.453 1.451 -9.359 1.00 0.00 C ATOM 905 NE ARG B 5 18.061 2.571 -10.108 1.00 0.00 N ATOM 906 CZ ARG B 5 19.352 2.791 -10.289 1.00 0.00 C ATOM 907 NH1 ARG B 5 20.269 2.000 -9.804 1.00 0.00 N ATOM 908 NH2 ARG B 5 19.754 3.825 -10.972 1.00 0.00 N ATOM 0 H ARG B 5 14.815 4.705 -6.956 1.00 0.00 H new ATOM 0 HA ARG B 5 13.598 3.078 -8.952 1.00 0.00 H new ATOM 0 HB2 ARG B 5 16.046 3.733 -8.651 1.00 0.00 H new ATOM 0 HB3 ARG B 5 16.117 2.665 -7.264 1.00 0.00 H new ATOM 0 HG2 ARG B 5 15.519 0.728 -8.732 1.00 0.00 H new ATOM 0 HG3 ARG B 5 15.463 1.800 -10.118 1.00 0.00 H new ATOM 0 HD2 ARG B 5 17.942 1.358 -8.389 1.00 0.00 H new ATOM 0 HD3 ARG B 5 17.630 0.519 -9.896 1.00 0.00 H new ATOM 0 HE ARG B 5 17.419 3.243 -10.528 1.00 0.00 H new ATOM 0 HH11 ARG B 5 20.000 1.178 -9.264 1.00 0.00 H new ATOM 0 HH12 ARG B 5 21.255 2.204 -9.965 1.00 0.00 H new ATOM 0 HH21 ARG B 5 19.071 4.470 -11.370 1.00 0.00 H new ATOM 0 HH22 ARG B 5 20.751 3.990 -11.108 1.00 0.00 H new ATOM 922 N GLU B 6 13.538 1.725 -5.969 1.00 0.00 N ATOM 923 CA GLU B 6 12.836 0.721 -5.191 1.00 0.00 C ATOM 924 C GLU B 6 11.316 0.958 -5.136 1.00 0.00 C ATOM 925 O GLU B 6 10.573 -0.019 -5.063 1.00 0.00 O ATOM 926 CB GLU B 6 13.461 0.703 -3.794 1.00 0.00 C ATOM 927 CG GLU B 6 14.723 -0.168 -3.757 1.00 0.00 C ATOM 928 CD GLU B 6 15.228 -0.364 -2.315 1.00 0.00 C ATOM 929 OE1 GLU B 6 16.040 0.463 -1.831 1.00 0.00 O ATOM 930 OE2 GLU B 6 14.831 -1.358 -1.659 1.00 0.00 O ATOM 0 H GLU B 6 14.096 2.360 -5.398 1.00 0.00 H new ATOM 0 HA GLU B 6 12.947 -0.251 -5.672 1.00 0.00 H new ATOM 0 HB2 GLU B 6 13.710 1.720 -3.492 1.00 0.00 H new ATOM 0 HB3 GLU B 6 12.735 0.325 -3.074 1.00 0.00 H new ATOM 0 HG2 GLU B 6 14.510 -1.139 -4.205 1.00 0.00 H new ATOM 0 HG3 GLU B 6 15.505 0.296 -4.358 1.00 0.00 H new ATOM 937 N LEU B 7 10.822 2.203 -5.256 1.00 0.00 N ATOM 938 CA LEU B 7 9.397 2.466 -5.477 1.00 0.00 C ATOM 939 C LEU B 7 8.952 1.865 -6.812 1.00 0.00 C ATOM 940 O LEU B 7 8.005 1.082 -6.859 1.00 0.00 O ATOM 941 CB LEU B 7 9.098 3.976 -5.463 1.00 0.00 C ATOM 942 CG LEU B 7 9.517 4.805 -4.246 1.00 0.00 C ATOM 943 CD1 LEU B 7 9.050 6.249 -4.439 1.00 0.00 C ATOM 944 CD2 LEU B 7 8.973 4.272 -2.931 1.00 0.00 C ATOM 0 H LEU B 7 11.396 3.044 -5.203 1.00 0.00 H new ATOM 0 HA LEU B 7 8.841 2.000 -4.664 1.00 0.00 H new ATOM 0 HB2 LEU B 7 9.575 4.414 -6.340 1.00 0.00 H new ATOM 0 HB3 LEU B 7 8.023 4.100 -5.591 1.00 0.00 H new ATOM 0 HG LEU B 7 10.603 4.745 -4.181 1.00 0.00 H new ATOM 0 HD11 LEU B 7 9.345 6.845 -3.576 1.00 0.00 H new ATOM 0 HD12 LEU B 7 9.507 6.662 -5.338 1.00 0.00 H new ATOM 0 HD13 LEU B 7 7.965 6.270 -4.541 1.00 0.00 H new ATOM 0 HD21 LEU B 7 9.310 4.909 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU B 7 7.883 4.268 -2.963 1.00 0.00 H new ATOM 0 HD23 LEU B 7 9.335 3.256 -2.773 1.00 0.00 H new ATOM 956 N TYR B 8 9.679 2.166 -7.890 1.00 0.00 N ATOM 957 CA TYR B 8 9.448 1.608 -9.224 1.00 0.00 C ATOM 958 C TYR B 8 9.432 0.078 -9.212 1.00 0.00 C ATOM 959 O TYR B 8 8.482 -0.551 -9.686 1.00 0.00 O ATOM 960 CB TYR B 8 10.534 2.177 -10.155 1.00 0.00 C ATOM 961 CG TYR B 8 10.084 2.535 -11.563 1.00 0.00 C ATOM 962 CD1 TYR B 8 9.460 1.581 -12.391 1.00 0.00 C ATOM 963 CD2 TYR B 8 10.293 3.844 -12.044 1.00 0.00 C ATOM 964 CE1 TYR B 8 9.027 1.943 -13.682 1.00 0.00 C ATOM 965 CE2 TYR B 8 9.852 4.213 -13.329 1.00 0.00 C ATOM 966 CZ TYR B 8 9.212 3.262 -14.151 1.00 0.00 C ATOM 967 OH TYR B 8 8.782 3.602 -15.398 1.00 0.00 O ATOM 0 H TYR B 8 10.462 2.819 -7.859 1.00 0.00 H new ATOM 0 HA TYR B 8 8.462 1.896 -9.587 1.00 0.00 H new ATOM 0 HB2 TYR B 8 10.952 3.070 -9.690 1.00 0.00 H new ATOM 0 HB3 TYR B 8 11.341 1.448 -10.227 1.00 0.00 H new ATOM 0 HD1 TYR B 8 9.313 0.572 -12.036 1.00 0.00 H new ATOM 0 HD2 TYR B 8 10.796 4.569 -11.421 1.00 0.00 H new ATOM 0 HE1 TYR B 8 8.552 1.209 -14.315 1.00 0.00 H new ATOM 0 HE2 TYR B 8 10.003 5.222 -13.684 1.00 0.00 H new ATOM 0 HH TYR B 8 8.984 4.546 -15.568 1.00 0.00 H new ATOM 977 N LYS B 9 10.444 -0.510 -8.574 1.00 0.00 N ATOM 978 CA LYS B 9 10.607 -1.962 -8.388 1.00 0.00 C ATOM 979 C LYS B 9 9.700 -2.586 -7.313 1.00 0.00 C ATOM 980 O LYS B 9 9.828 -3.776 -7.028 1.00 0.00 O ATOM 981 CB LYS B 9 12.097 -2.287 -8.182 1.00 0.00 C ATOM 982 CG LYS B 9 12.925 -1.933 -9.433 1.00 0.00 C ATOM 983 CD LYS B 9 14.435 -2.038 -9.192 1.00 0.00 C ATOM 984 CE LYS B 9 14.887 -3.500 -9.070 1.00 0.00 C ATOM 985 NZ LYS B 9 16.364 -3.612 -8.934 1.00 0.00 N ATOM 0 H LYS B 9 11.204 0.027 -8.155 1.00 0.00 H new ATOM 0 HA LYS B 9 10.259 -2.440 -9.304 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.477 -1.734 -7.323 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.212 -3.347 -7.955 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.644 -2.598 -10.250 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.681 -0.919 -9.750 1.00 0.00 H new ATOM 0 HD2 LYS B 9 14.969 -1.559 -10.012 1.00 0.00 H new ATOM 0 HD3 LYS B 9 14.697 -1.498 -8.282 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.407 -3.958 -8.205 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.560 -4.056 -9.948 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 16.630 -4.614 -8.854 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 16.822 -3.198 -9.771 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 16.674 -3.103 -8.082 1.00 0.00 H new ATOM 999 N LEU B 10 8.732 -1.834 -6.781 1.00 0.00 N ATOM 1000 CA LEU B 10 7.580 -2.372 -6.043 1.00 0.00 C ATOM 1001 C LEU B 10 6.251 -2.107 -6.768 1.00 0.00 C ATOM 1002 O LEU B 10 5.419 -3.009 -6.846 1.00 0.00 O ATOM 1003 CB LEU B 10 7.555 -1.786 -4.618 1.00 0.00 C ATOM 1004 CG LEU B 10 8.657 -2.317 -3.679 1.00 0.00 C ATOM 1005 CD1 LEU B 10 8.663 -1.504 -2.384 1.00 0.00 C ATOM 1006 CD2 LEU B 10 8.438 -3.783 -3.302 1.00 0.00 C ATOM 0 H LEU B 10 8.725 -0.816 -6.851 1.00 0.00 H new ATOM 0 HA LEU B 10 7.695 -3.454 -5.985 1.00 0.00 H new ATOM 0 HB2 LEU B 10 7.646 -0.702 -4.685 1.00 0.00 H new ATOM 0 HB3 LEU B 10 6.584 -1.997 -4.171 1.00 0.00 H new ATOM 0 HG LEU B 10 9.602 -2.226 -4.215 1.00 0.00 H new ATOM 0 HD11 LEU B 10 9.442 -1.881 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU B 10 8.857 -0.456 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU B 10 7.694 -1.595 -1.893 1.00 0.00 H new ATOM 0 HD21 LEU B 10 9.239 -4.112 -2.640 1.00 0.00 H new ATOM 0 HD22 LEU B 10 7.480 -3.889 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU B 10 8.439 -4.395 -4.204 1.00 0.00 H new ATOM 1018 N GLU B 11 6.044 -0.920 -7.348 1.00 0.00 N ATOM 1019 CA GLU B 11 4.757 -0.541 -7.952 1.00 0.00 C ATOM 1020 C GLU B 11 4.526 -1.271 -9.288 1.00 0.00 C ATOM 1021 O GLU B 11 3.492 -1.918 -9.472 1.00 0.00 O ATOM 1022 CB GLU B 11 4.720 0.986 -8.145 1.00 0.00 C ATOM 1023 CG GLU B 11 4.726 1.805 -6.841 1.00 0.00 C ATOM 1024 CD GLU B 11 3.330 2.044 -6.252 1.00 0.00 C ATOM 1025 OE1 GLU B 11 2.456 1.190 -6.024 1.00 0.00 O ATOM 1026 OE2 GLU B 11 2.816 3.152 -6.026 1.00 0.00 O ATOM 0 H GLU B 11 6.759 -0.196 -7.413 1.00 0.00 H new ATOM 0 HA GLU B 11 3.951 -0.840 -7.282 1.00 0.00 H new ATOM 0 HB2 GLU B 11 5.579 1.282 -8.747 1.00 0.00 H new ATOM 0 HB3 GLU B 11 3.827 1.244 -8.715 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.338 1.289 -6.102 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.200 2.768 -7.030 1.00 0.00 H new ATOM 1033 N GLN B 12 5.507 -1.253 -10.201 1.00 0.00 N ATOM 1034 CA GLN B 12 5.469 -2.017 -11.452 1.00 0.00 C ATOM 1035 C GLN B 12 5.569 -3.539 -11.235 1.00 0.00 C ATOM 1036 O GLN B 12 5.056 -4.318 -12.040 1.00 0.00 O ATOM 1037 CB GLN B 12 6.585 -1.509 -12.381 1.00 0.00 C ATOM 1038 CG GLN B 12 6.014 -0.844 -13.635 1.00 0.00 C ATOM 1039 CD GLN B 12 5.467 -1.828 -14.673 1.00 0.00 C ATOM 1040 OE1 GLN B 12 6.076 -2.833 -15.012 1.00 0.00 O ATOM 1041 NE2 GLN B 12 4.302 -1.572 -15.232 1.00 0.00 N ATOM 0 H GLN B 12 6.357 -0.701 -10.089 1.00 0.00 H new ATOM 0 HA GLN B 12 4.497 -1.854 -11.917 1.00 0.00 H new ATOM 0 HB2 GLN B 12 7.211 -0.797 -11.843 1.00 0.00 H new ATOM 0 HB3 GLN B 12 7.226 -2.342 -12.670 1.00 0.00 H new ATOM 0 HG2 GLN B 12 5.216 -0.163 -13.340 1.00 0.00 H new ATOM 0 HG3 GLN B 12 6.793 -0.239 -14.099 1.00 0.00 H new ATOM 0 HE21 GLN B 12 3.779 -0.739 -14.962 1.00 0.00 H new ATOM 0 HE22 GLN B 12 3.923 -2.207 -15.934 1.00 0.00 H new ATOM 1050 N GLN B 13 6.182 -3.981 -10.131 1.00 0.00 N ATOM 1051 CA GLN B 13 6.236 -5.398 -9.762 1.00 0.00 C ATOM 1052 C GLN B 13 4.882 -5.928 -9.260 1.00 0.00 C ATOM 1053 O GLN B 13 4.448 -7.001 -9.684 1.00 0.00 O ATOM 1054 CB GLN B 13 7.374 -5.642 -8.768 1.00 0.00 C ATOM 1055 CG GLN B 13 8.478 -6.494 -9.418 1.00 0.00 C ATOM 1056 CD GLN B 13 9.630 -6.834 -8.473 1.00 0.00 C ATOM 1057 OE1 GLN B 13 10.770 -6.429 -8.665 1.00 0.00 O ATOM 1058 NE2 GLN B 13 9.397 -7.628 -7.447 1.00 0.00 N ATOM 0 H GLN B 13 6.654 -3.365 -9.469 1.00 0.00 H new ATOM 0 HA GLN B 13 6.452 -5.974 -10.662 1.00 0.00 H new ATOM 0 HB2 GLN B 13 7.788 -4.689 -8.438 1.00 0.00 H new ATOM 0 HB3 GLN B 13 6.990 -6.147 -7.882 1.00 0.00 H new ATOM 0 HG2 GLN B 13 8.039 -7.420 -9.789 1.00 0.00 H new ATOM 0 HG3 GLN B 13 8.874 -5.961 -10.282 1.00 0.00 H new ATOM 0 HE21 GLN B 13 8.453 -7.974 -7.274 1.00 0.00 H new ATOM 0 HE22 GLN B 13 10.161 -7.897 -6.826 1.00 0.00 H new ATOM 1067 N ALA B 14 4.168 -5.159 -8.428 1.00 0.00 N ATOM 1068 CA ALA B 14 2.795 -5.474 -8.029 1.00 0.00 C ATOM 1069 C ALA B 14 1.818 -5.413 -9.219 1.00 0.00 C ATOM 1070 O ALA B 14 0.959 -6.283 -9.356 1.00 0.00 O ATOM 1071 CB ALA B 14 2.380 -4.516 -6.906 1.00 0.00 C ATOM 0 H ALA B 14 4.529 -4.300 -8.013 1.00 0.00 H new ATOM 0 HA ALA B 14 2.756 -6.500 -7.664 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.358 -4.738 -6.597 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.051 -4.640 -6.056 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.435 -3.488 -7.265 1.00 0.00 H new ATOM 1077 N MET B 15 1.977 -4.432 -10.118 1.00 0.00 N ATOM 1078 CA MET B 15 1.164 -4.260 -11.333 1.00 0.00 C ATOM 1079 C MET B 15 1.060 -5.523 -12.189 1.00 0.00 C ATOM 1080 O MET B 15 -0.037 -5.893 -12.608 1.00 0.00 O ATOM 1081 CB MET B 15 1.765 -3.102 -12.154 1.00 0.00 C ATOM 1082 CG MET B 15 1.192 -2.915 -13.566 1.00 0.00 C ATOM 1083 SD MET B 15 -0.592 -2.648 -13.676 1.00 0.00 S ATOM 1084 CE MET B 15 -0.717 -1.226 -12.567 1.00 0.00 C ATOM 0 H MET B 15 2.695 -3.715 -10.018 1.00 0.00 H new ATOM 0 HA MET B 15 0.144 -4.036 -11.021 1.00 0.00 H new ATOM 0 HB2 MET B 15 1.621 -2.175 -11.599 1.00 0.00 H new ATOM 0 HB3 MET B 15 2.840 -3.260 -12.237 1.00 0.00 H new ATOM 0 HG2 MET B 15 1.694 -2.066 -14.030 1.00 0.00 H new ATOM 0 HG3 MET B 15 1.443 -3.796 -14.157 1.00 0.00 H new ATOM 0 HE1 MET B 15 -1.527 -0.576 -12.899 1.00 0.00 H new ATOM 0 HE2 MET B 15 -0.921 -1.572 -11.554 1.00 0.00 H new ATOM 0 HE3 MET B 15 0.221 -0.672 -12.579 1.00 0.00 H new ATOM 1094 N LYS B 16 2.180 -6.219 -12.409 1.00 0.00 N ATOM 1095 CA LYS B 16 2.221 -7.472 -13.177 1.00 0.00 C ATOM 1096 C LYS B 16 1.240 -8.515 -12.636 1.00 0.00 C ATOM 1097 O LYS B 16 0.530 -9.163 -13.401 1.00 0.00 O ATOM 1098 CB LYS B 16 3.656 -8.009 -13.140 1.00 0.00 C ATOM 1099 CG LYS B 16 3.901 -9.046 -14.248 1.00 0.00 C ATOM 1100 CD LYS B 16 5.361 -9.518 -14.270 1.00 0.00 C ATOM 1101 CE LYS B 16 5.571 -10.508 -15.425 1.00 0.00 C ATOM 1102 NZ LYS B 16 6.977 -10.989 -15.490 1.00 0.00 N ATOM 0 H LYS B 16 3.092 -5.928 -12.057 1.00 0.00 H new ATOM 0 HA LYS B 16 1.916 -7.267 -14.203 1.00 0.00 H new ATOM 0 HB2 LYS B 16 4.357 -7.182 -13.253 1.00 0.00 H new ATOM 0 HB3 LYS B 16 3.851 -8.462 -12.168 1.00 0.00 H new ATOM 0 HG2 LYS B 16 3.244 -9.902 -14.097 1.00 0.00 H new ATOM 0 HG3 LYS B 16 3.644 -8.613 -15.215 1.00 0.00 H new ATOM 0 HD2 LYS B 16 6.027 -8.663 -14.386 1.00 0.00 H new ATOM 0 HD3 LYS B 16 5.614 -9.993 -13.322 1.00 0.00 H new ATOM 0 HE2 LYS B 16 4.901 -11.359 -15.301 1.00 0.00 H new ATOM 0 HE3 LYS B 16 5.307 -10.029 -16.368 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 7.080 -11.655 -16.282 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 7.614 -10.180 -15.633 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 7.221 -11.469 -14.600 1.00 0.00 H new ATOM 1116 N LEU B 17 1.174 -8.641 -11.312 1.00 0.00 N ATOM 1117 CA LEU B 17 0.360 -9.614 -10.602 1.00 0.00 C ATOM 1118 C LEU B 17 -1.095 -9.173 -10.524 1.00 0.00 C ATOM 1119 O LEU B 17 -1.997 -9.982 -10.739 1.00 0.00 O ATOM 1120 CB LEU B 17 0.925 -9.761 -9.188 1.00 0.00 C ATOM 1121 CG LEU B 17 2.368 -10.266 -9.197 1.00 0.00 C ATOM 1122 CD1 LEU B 17 2.978 -10.099 -7.810 1.00 0.00 C ATOM 1123 CD2 LEU B 17 2.471 -11.724 -9.647 1.00 0.00 C ATOM 0 H LEU B 17 1.709 -8.042 -10.683 1.00 0.00 H new ATOM 0 HA LEU B 17 0.389 -10.563 -11.138 1.00 0.00 H new ATOM 0 HB2 LEU B 17 0.881 -8.799 -8.678 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.303 -10.452 -8.619 1.00 0.00 H new ATOM 0 HG LEU B 17 2.922 -9.668 -9.920 1.00 0.00 H new ATOM 0 HD11 LEU B 17 4.007 -10.460 -7.819 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.965 -9.045 -7.531 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.399 -10.672 -7.086 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.516 -12.035 -9.636 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.897 -12.356 -8.969 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.074 -11.822 -10.657 1.00 0.00 H new ATOM 1135 N TYR B 18 -1.308 -7.878 -10.279 1.00 0.00 N ATOM 1136 CA TYR B 18 -2.627 -7.263 -10.306 1.00 0.00 C ATOM 1137 C TYR B 18 -3.305 -7.488 -11.663 1.00 0.00 C ATOM 1138 O TYR B 18 -4.451 -7.938 -11.708 1.00 0.00 O ATOM 1139 CB TYR B 18 -2.491 -5.762 -10.003 1.00 0.00 C ATOM 1140 CG TYR B 18 -2.522 -5.362 -8.537 1.00 0.00 C ATOM 1141 CD1 TYR B 18 -3.599 -5.761 -7.720 1.00 0.00 C ATOM 1142 CD2 TYR B 18 -1.519 -4.526 -8.005 1.00 0.00 C ATOM 1143 CE1 TYR B 18 -3.668 -5.348 -6.377 1.00 0.00 C ATOM 1144 CE2 TYR B 18 -1.582 -4.110 -6.661 1.00 0.00 C ATOM 1145 CZ TYR B 18 -2.657 -4.521 -5.846 1.00 0.00 C ATOM 1146 OH TYR B 18 -2.731 -4.099 -4.557 1.00 0.00 O ATOM 0 H TYR B 18 -0.558 -7.224 -10.054 1.00 0.00 H new ATOM 0 HA TYR B 18 -3.255 -7.726 -9.545 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.553 -5.410 -10.433 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -3.295 -5.236 -10.518 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -4.377 -6.389 -8.128 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.700 -4.204 -8.630 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -4.493 -5.663 -5.755 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -0.807 -3.477 -6.255 1.00 0.00 H new ATOM 0 HH TYR B 18 -3.335 -4.685 -4.055 1.00 0.00 H new ATOM 1156 N ARG B 19 -2.595 -7.243 -12.776 1.00 0.00 N ATOM 1157 CA ARG B 19 -3.181 -7.393 -14.120 1.00 0.00 C ATOM 1158 C ARG B 19 -3.362 -8.856 -14.535 1.00 0.00 C ATOM 1159 O ARG B 19 -4.322 -9.164 -15.239 1.00 0.00 O ATOM 1160 CB ARG B 19 -2.428 -6.550 -15.169 1.00 0.00 C ATOM 1161 CG ARG B 19 -1.112 -7.154 -15.678 1.00 0.00 C ATOM 1162 CD ARG B 19 -0.470 -6.250 -16.736 1.00 0.00 C ATOM 1163 NE ARG B 19 0.672 -6.919 -17.391 1.00 0.00 N ATOM 1164 CZ ARG B 19 1.339 -6.484 -18.446 1.00 0.00 C ATOM 1165 NH1 ARG B 19 1.084 -5.334 -19.004 1.00 0.00 N ATOM 1166 NH2 ARG B 19 2.285 -7.209 -18.972 1.00 0.00 N ATOM 0 H ARG B 19 -1.620 -6.942 -12.774 1.00 0.00 H new ATOM 0 HA ARG B 19 -4.192 -6.989 -14.068 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -3.088 -6.388 -16.022 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -2.216 -5.571 -14.739 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -0.423 -7.291 -14.844 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -1.300 -8.141 -16.102 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -1.214 -5.978 -17.485 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -0.133 -5.324 -16.270 1.00 0.00 H new ATOM 0 HE ARG B 19 0.977 -7.806 -16.989 1.00 0.00 H new ATOM 0 HH11 ARG B 19 0.348 -4.736 -18.627 1.00 0.00 H new ATOM 0 HH12 ARG B 19 1.620 -5.032 -19.817 1.00 0.00 H new ATOM 0 HH21 ARG B 19 2.515 -8.118 -18.570 1.00 0.00 H new ATOM 0 HH22 ARG B 19 2.796 -6.868 -19.786 1.00 0.00 H new ATOM 1180 N GLU B 20 -2.497 -9.764 -14.068 1.00 0.00 N ATOM 1181 CA GLU B 20 -2.644 -11.205 -14.335 1.00 0.00 C ATOM 1182 C GLU B 20 -3.889 -11.766 -13.643 1.00 0.00 C ATOM 1183 O GLU B 20 -4.738 -12.412 -14.259 1.00 0.00 O ATOM 1184 CB GLU B 20 -1.407 -11.956 -13.817 1.00 0.00 C ATOM 1185 CG GLU B 20 -1.208 -13.337 -14.456 1.00 0.00 C ATOM 1186 CD GLU B 20 -0.813 -13.243 -15.943 1.00 0.00 C ATOM 1187 OE1 GLU B 20 0.395 -13.089 -16.248 1.00 0.00 O ATOM 1188 OE2 GLU B 20 -1.706 -13.336 -16.821 1.00 0.00 O ATOM 0 H GLU B 20 -1.683 -9.528 -13.500 1.00 0.00 H new ATOM 0 HA GLU B 20 -2.745 -11.342 -15.412 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -0.521 -11.349 -14.003 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -1.491 -12.075 -12.737 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -0.435 -13.879 -13.911 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -2.128 -13.914 -14.363 1.00 0.00 H new ATOM 1195 N ALA B 21 -4.001 -11.473 -12.347 1.00 0.00 N ATOM 1196 CA ALA B 21 -5.116 -11.906 -11.513 1.00 0.00 C ATOM 1197 C ALA B 21 -6.458 -11.277 -11.922 1.00 0.00 C ATOM 1198 O ALA B 21 -7.465 -11.981 -11.926 1.00 0.00 O ATOM 1199 CB ALA B 21 -4.781 -11.628 -10.049 1.00 0.00 C ATOM 0 H ALA B 21 -3.308 -10.920 -11.842 1.00 0.00 H new ATOM 0 HA ALA B 21 -5.250 -12.978 -11.659 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -5.610 -11.949 -9.419 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -3.881 -12.176 -9.771 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -4.613 -10.560 -9.911 1.00 0.00 H new ATOM 1205 N SER B 22 -6.504 -10.002 -12.335 1.00 0.00 N ATOM 1206 CA SER B 22 -7.751 -9.353 -12.791 1.00 0.00 C ATOM 1207 C SER B 22 -8.440 -10.116 -13.926 1.00 0.00 C ATOM 1208 O SER B 22 -9.658 -10.290 -13.921 1.00 0.00 O ATOM 1209 CB SER B 22 -7.464 -7.927 -13.276 1.00 0.00 C ATOM 1210 OG SER B 22 -8.597 -7.095 -13.096 1.00 0.00 O ATOM 0 H SER B 22 -5.687 -9.392 -12.364 1.00 0.00 H new ATOM 0 HA SER B 22 -8.419 -9.345 -11.930 1.00 0.00 H new ATOM 0 HB2 SER B 22 -6.615 -7.516 -12.729 1.00 0.00 H new ATOM 0 HB3 SER B 22 -7.185 -7.946 -14.330 1.00 0.00 H new ATOM 0 HG SER B 22 -8.391 -6.190 -13.410 1.00 0.00 H new ATOM 1216 N GLU B 23 -7.641 -10.627 -14.865 1.00 0.00 N ATOM 1217 CA GLU B 23 -8.083 -11.426 -16.020 1.00 0.00 C ATOM 1218 C GLU B 23 -8.733 -12.785 -15.646 1.00 0.00 C ATOM 1219 O GLU B 23 -9.365 -13.419 -16.495 1.00 0.00 O ATOM 1220 CB GLU B 23 -6.871 -11.622 -16.955 1.00 0.00 C ATOM 1221 CG GLU B 23 -7.203 -11.958 -18.418 1.00 0.00 C ATOM 1222 CD GLU B 23 -7.913 -10.794 -19.140 1.00 0.00 C ATOM 1223 OE1 GLU B 23 -7.220 -9.893 -19.674 1.00 0.00 O ATOM 1224 OE2 GLU B 23 -9.167 -10.776 -19.195 1.00 0.00 O ATOM 0 H GLU B 23 -6.630 -10.493 -14.845 1.00 0.00 H new ATOM 0 HA GLU B 23 -8.880 -10.876 -16.521 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -6.272 -10.712 -16.938 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -6.249 -12.421 -16.550 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -6.284 -12.205 -18.949 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.838 -12.844 -18.450 1.00 0.00 H new ATOM 1231 N ARG B 24 -8.621 -13.228 -14.381 1.00 0.00 N ATOM 1232 CA ARG B 24 -9.113 -14.534 -13.890 1.00 0.00 C ATOM 1233 C ARG B 24 -10.050 -14.428 -12.676 1.00 0.00 C ATOM 1234 O ARG B 24 -11.002 -15.202 -12.574 1.00 0.00 O ATOM 1235 CB ARG B 24 -7.889 -15.426 -13.605 1.00 0.00 C ATOM 1236 CG ARG B 24 -8.260 -16.895 -13.350 1.00 0.00 C ATOM 1237 CD ARG B 24 -6.999 -17.757 -13.203 1.00 0.00 C ATOM 1238 NE ARG B 24 -7.332 -19.179 -12.984 1.00 0.00 N ATOM 1239 CZ ARG B 24 -7.578 -20.098 -13.904 1.00 0.00 C ATOM 1240 NH1 ARG B 24 -7.562 -19.832 -15.181 1.00 0.00 N ATOM 1241 NH2 ARG B 24 -7.850 -21.322 -13.554 1.00 0.00 N ATOM 0 H ARG B 24 -8.174 -12.675 -13.650 1.00 0.00 H new ATOM 0 HA ARG B 24 -9.736 -14.983 -14.664 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -7.203 -15.372 -14.450 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -7.357 -15.036 -12.737 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -8.865 -16.971 -12.447 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -8.868 -17.270 -14.173 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -6.386 -17.661 -14.099 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -6.403 -17.390 -12.368 1.00 0.00 H new ATOM 0 HE ARG B 24 -7.378 -19.488 -12.013 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -7.354 -18.887 -15.502 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -7.757 -20.569 -15.858 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -7.874 -21.577 -12.567 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -8.039 -22.026 -14.267 1.00 0.00 H new ATOM 1255 N VAL B 25 -9.824 -13.458 -11.786 1.00 0.00 N ATOM 1256 CA VAL B 25 -10.678 -13.151 -10.622 1.00 0.00 C ATOM 1257 C VAL B 25 -11.915 -12.341 -11.044 1.00 0.00 C ATOM 1258 O VAL B 25 -13.012 -12.582 -10.542 1.00 0.00 O ATOM 1259 CB VAL B 25 -9.861 -12.407 -9.546 1.00 0.00 C ATOM 1260 CG1 VAL B 25 -10.694 -12.020 -8.318 1.00 0.00 C ATOM 1261 CG2 VAL B 25 -8.688 -13.260 -9.036 1.00 0.00 C ATOM 0 H VAL B 25 -9.015 -12.840 -11.853 1.00 0.00 H new ATOM 0 HA VAL B 25 -11.034 -14.088 -10.194 1.00 0.00 H new ATOM 0 HB VAL B 25 -9.505 -11.506 -10.045 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -10.062 -11.500 -7.598 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -11.510 -11.365 -8.624 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -11.103 -12.919 -7.858 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -8.135 -12.703 -8.279 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -9.072 -14.182 -8.600 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -8.024 -13.500 -9.867 1.00 0.00 H new ATOM 1271 N GLY B 26 -11.763 -11.417 -12.002 1.00 0.00 N ATOM 1272 CA GLY B 26 -12.863 -10.688 -12.652 1.00 0.00 C ATOM 1273 C GLY B 26 -13.509 -9.550 -11.843 1.00 0.00 C ATOM 1274 O GLY B 26 -14.396 -8.870 -12.364 1.00 0.00 O ATOM 0 H GLY B 26 -10.846 -11.148 -12.357 1.00 0.00 H new ATOM 0 HA2 GLY B 26 -12.490 -10.271 -13.587 1.00 0.00 H new ATOM 0 HA3 GLY B 26 -13.641 -11.406 -12.911 1.00 0.00 H new ATOM 1278 N ASP B 27 -13.103 -9.320 -10.589 1.00 0.00 N ATOM 1279 CA ASP B 27 -13.648 -8.249 -9.739 1.00 0.00 C ATOM 1280 C ASP B 27 -13.312 -6.837 -10.280 1.00 0.00 C ATOM 1281 O ASP B 27 -12.149 -6.563 -10.597 1.00 0.00 O ATOM 1282 CB ASP B 27 -13.134 -8.403 -8.297 1.00 0.00 C ATOM 1283 CG ASP B 27 -14.082 -9.275 -7.456 1.00 0.00 C ATOM 1284 OD1 ASP B 27 -15.153 -8.765 -7.049 1.00 0.00 O ATOM 1285 OD2 ASP B 27 -13.767 -10.460 -7.203 1.00 0.00 O ATOM 0 H ASP B 27 -12.381 -9.875 -10.130 1.00 0.00 H new ATOM 0 HA ASP B 27 -14.733 -8.348 -9.751 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -12.140 -8.850 -8.309 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -13.036 -7.420 -7.837 1.00 0.00 H new ATOM 1290 N PRO B 28 -14.286 -5.903 -10.345 1.00 0.00 N ATOM 1291 CA PRO B 28 -14.075 -4.574 -10.925 1.00 0.00 C ATOM 1292 C PRO B 28 -13.162 -3.678 -10.076 1.00 0.00 C ATOM 1293 O PRO B 28 -12.444 -2.843 -10.623 1.00 0.00 O ATOM 1294 CB PRO B 28 -15.476 -3.974 -11.089 1.00 0.00 C ATOM 1295 CG PRO B 28 -16.298 -4.670 -10.007 1.00 0.00 C ATOM 1296 CD PRO B 28 -15.677 -6.064 -9.944 1.00 0.00 C ATOM 0 HA PRO B 28 -13.551 -4.651 -11.878 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -15.467 -2.893 -10.951 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -15.879 -4.165 -12.083 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -16.226 -4.153 -9.050 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -17.356 -4.711 -10.268 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -15.748 -6.477 -8.938 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -16.197 -6.753 -10.609 1.00 0.00 H new ATOM 1304 N VAL B 29 -13.126 -3.865 -8.749 1.00 0.00 N ATOM 1305 CA VAL B 29 -12.187 -3.152 -7.861 1.00 0.00 C ATOM 1306 C VAL B 29 -10.722 -3.519 -8.146 1.00 0.00 C ATOM 1307 O VAL B 29 -9.840 -2.666 -8.070 1.00 0.00 O ATOM 1308 CB VAL B 29 -12.570 -3.350 -6.381 1.00 0.00 C ATOM 1309 CG1 VAL B 29 -12.381 -4.783 -5.865 1.00 0.00 C ATOM 1310 CG2 VAL B 29 -11.802 -2.393 -5.468 1.00 0.00 C ATOM 0 H VAL B 29 -13.744 -4.512 -8.259 1.00 0.00 H new ATOM 0 HA VAL B 29 -12.273 -2.087 -8.078 1.00 0.00 H new ATOM 0 HB VAL B 29 -13.637 -3.131 -6.348 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -12.674 -4.834 -4.816 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -13.001 -5.464 -6.448 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -11.334 -5.070 -5.964 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -12.098 -2.562 -4.433 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -10.732 -2.570 -5.573 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -12.028 -1.364 -5.747 1.00 0.00 H new ATOM 1320 N LEU B 30 -10.455 -4.760 -8.564 1.00 0.00 N ATOM 1321 CA LEU B 30 -9.125 -5.221 -8.975 1.00 0.00 C ATOM 1322 C LEU B 30 -8.662 -4.502 -10.260 1.00 0.00 C ATOM 1323 O LEU B 30 -7.537 -4.002 -10.327 1.00 0.00 O ATOM 1324 CB LEU B 30 -9.188 -6.759 -9.121 1.00 0.00 C ATOM 1325 CG LEU B 30 -7.947 -7.498 -8.595 1.00 0.00 C ATOM 1326 CD1 LEU B 30 -8.199 -9.006 -8.597 1.00 0.00 C ATOM 1327 CD2 LEU B 30 -6.706 -7.223 -9.436 1.00 0.00 C ATOM 0 H LEU B 30 -11.169 -5.485 -8.627 1.00 0.00 H new ATOM 0 HA LEU B 30 -8.374 -4.972 -8.225 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -10.067 -7.126 -8.591 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -9.324 -7.007 -10.174 1.00 0.00 H new ATOM 0 HG LEU B 30 -7.769 -7.131 -7.584 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -7.315 -9.523 -8.223 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -9.051 -9.233 -7.956 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -8.411 -9.338 -9.613 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -5.858 -7.768 -9.022 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -6.882 -7.549 -10.461 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -6.490 -6.155 -9.427 1.00 0.00 H new ATOM 1339 N ALA B 31 -9.565 -4.337 -11.233 1.00 0.00 N ATOM 1340 CA ALA B 31 -9.332 -3.511 -12.421 1.00 0.00 C ATOM 1341 C ALA B 31 -9.167 -2.010 -12.085 1.00 0.00 C ATOM 1342 O ALA B 31 -8.324 -1.331 -12.672 1.00 0.00 O ATOM 1343 CB ALA B 31 -10.475 -3.746 -13.416 1.00 0.00 C ATOM 0 H ALA B 31 -10.485 -4.777 -11.217 1.00 0.00 H new ATOM 0 HA ALA B 31 -8.386 -3.812 -12.871 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -10.314 -3.137 -14.305 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -10.502 -4.799 -13.697 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -11.423 -3.470 -12.954 1.00 0.00 H new ATOM 1349 N LYS B 32 -9.921 -1.483 -11.109 1.00 0.00 N ATOM 1350 CA LYS B 32 -9.797 -0.091 -10.631 1.00 0.00 C ATOM 1351 C LYS B 32 -8.420 0.211 -10.027 1.00 0.00 C ATOM 1352 O LYS B 32 -7.875 1.296 -10.236 1.00 0.00 O ATOM 1353 CB LYS B 32 -10.936 0.206 -9.643 1.00 0.00 C ATOM 1354 CG LYS B 32 -10.993 1.681 -9.224 1.00 0.00 C ATOM 1355 CD LYS B 32 -12.192 1.933 -8.303 1.00 0.00 C ATOM 1356 CE LYS B 32 -12.215 3.402 -7.868 1.00 0.00 C ATOM 1357 NZ LYS B 32 -13.392 3.702 -7.012 1.00 0.00 N ATOM 0 H LYS B 32 -10.643 -2.014 -10.622 1.00 0.00 H new ATOM 0 HA LYS B 32 -9.885 0.574 -11.490 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -11.886 -0.075 -10.097 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -10.811 -0.414 -8.755 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -10.070 1.955 -8.713 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -11.067 2.314 -10.109 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -13.118 1.683 -8.821 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -12.132 1.286 -7.428 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -11.300 3.635 -7.324 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -12.233 4.043 -8.750 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -13.375 4.705 -6.737 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -14.265 3.503 -7.541 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -13.361 3.108 -6.159 1.00 0.00 H new ATOM 1371 N ILE B 33 -7.819 -0.753 -9.330 1.00 0.00 N ATOM 1372 CA ILE B 33 -6.478 -0.589 -8.748 1.00 0.00 C ATOM 1373 C ILE B 33 -5.396 -0.477 -9.823 1.00 0.00 C ATOM 1374 O ILE B 33 -4.505 0.358 -9.684 1.00 0.00 O ATOM 1375 CB ILE B 33 -6.181 -1.722 -7.748 1.00 0.00 C ATOM 1376 CG1 ILE B 33 -7.077 -1.510 -6.513 1.00 0.00 C ATOM 1377 CG2 ILE B 33 -4.700 -1.765 -7.321 1.00 0.00 C ATOM 1378 CD1 ILE B 33 -7.147 -2.760 -5.645 1.00 0.00 C ATOM 0 H ILE B 33 -8.240 -1.665 -9.151 1.00 0.00 H new ATOM 0 HA ILE B 33 -6.464 0.354 -8.201 1.00 0.00 H new ATOM 0 HB ILE B 33 -6.391 -2.676 -8.232 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -6.692 -0.678 -5.923 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -8.081 -1.234 -6.835 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -4.548 -2.582 -6.616 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -4.073 -1.921 -8.199 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -4.431 -0.822 -6.846 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -7.788 -2.570 -4.784 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -7.557 -3.585 -6.228 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -6.146 -3.021 -5.301 1.00 0.00 H new ATOM 1390 N LEU B 34 -5.459 -1.250 -10.914 1.00 0.00 N ATOM 1391 CA LEU B 34 -4.449 -1.131 -11.975 1.00 0.00 C ATOM 1392 C LEU B 34 -4.520 0.226 -12.716 1.00 0.00 C ATOM 1393 O LEU B 34 -3.507 0.717 -13.208 1.00 0.00 O ATOM 1394 CB LEU B 34 -4.422 -2.399 -12.856 1.00 0.00 C ATOM 1395 CG LEU B 34 -5.351 -2.434 -14.080 1.00 0.00 C ATOM 1396 CD1 LEU B 34 -4.696 -1.845 -15.334 1.00 0.00 C ATOM 1397 CD2 LEU B 34 -5.731 -3.880 -14.407 1.00 0.00 C ATOM 0 H LEU B 34 -6.181 -1.950 -11.085 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.458 -1.096 -11.522 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.400 -2.544 -13.206 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.666 -3.253 -12.224 1.00 0.00 H new ATOM 0 HG LEU B 34 -6.223 -1.835 -13.818 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.396 -1.895 -16.168 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.426 -0.805 -15.149 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.800 -2.415 -15.578 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -6.389 -3.896 -15.276 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.830 -4.453 -14.625 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.245 -4.323 -13.554 1.00 0.00 H new ATOM 1409 N GLU B 35 -5.681 0.889 -12.727 1.00 0.00 N ATOM 1410 CA GLU B 35 -5.836 2.283 -13.135 1.00 0.00 C ATOM 1411 C GLU B 35 -5.203 3.278 -12.143 1.00 0.00 C ATOM 1412 O GLU B 35 -4.523 4.214 -12.566 1.00 0.00 O ATOM 1413 CB GLU B 35 -7.343 2.535 -13.276 1.00 0.00 C ATOM 1414 CG GLU B 35 -7.818 2.407 -14.724 1.00 0.00 C ATOM 1415 CD GLU B 35 -7.706 3.729 -15.512 1.00 0.00 C ATOM 1416 OE1 GLU B 35 -6.709 4.472 -15.339 1.00 0.00 O ATOM 1417 OE2 GLU B 35 -8.618 4.032 -16.319 1.00 0.00 O ATOM 0 H GLU B 35 -6.560 0.456 -12.444 1.00 0.00 H new ATOM 0 HA GLU B 35 -5.310 2.446 -14.075 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -7.888 1.826 -12.653 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -7.579 3.532 -12.905 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -7.230 1.639 -15.227 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -8.855 2.072 -14.733 1.00 0.00 H new ATOM 1424 N ASP B 36 -5.374 3.083 -10.832 1.00 0.00 N ATOM 1425 CA ASP B 36 -4.761 3.910 -9.791 1.00 0.00 C ATOM 1426 C ASP B 36 -3.224 3.797 -9.755 1.00 0.00 C ATOM 1427 O ASP B 36 -2.524 4.808 -9.704 1.00 0.00 O ATOM 1428 CB ASP B 36 -5.328 3.478 -8.432 1.00 0.00 C ATOM 1429 CG ASP B 36 -6.764 3.928 -8.122 1.00 0.00 C ATOM 1430 OD1 ASP B 36 -7.297 4.858 -8.772 1.00 0.00 O ATOM 1431 OD2 ASP B 36 -7.332 3.368 -7.155 1.00 0.00 O ATOM 0 H ASP B 36 -5.954 2.331 -10.459 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.997 4.950 -10.015 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.290 2.390 -8.375 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -4.673 3.861 -7.650 1.00 0.00 H new ATOM 1436 N GLU B 37 -2.673 2.580 -9.809 1.00 0.00 N ATOM 1437 CA GLU B 37 -1.219 2.343 -9.790 1.00 0.00 C ATOM 1438 C GLU B 37 -0.505 2.836 -11.071 1.00 0.00 C ATOM 1439 O GLU B 37 0.717 2.969 -11.084 1.00 0.00 O ATOM 1440 CB GLU B 37 -0.918 0.851 -9.553 1.00 0.00 C ATOM 1441 CG GLU B 37 -1.441 0.247 -8.235 1.00 0.00 C ATOM 1442 CD GLU B 37 -0.772 0.743 -6.950 1.00 0.00 C ATOM 1443 OE1 GLU B 37 0.011 1.724 -6.925 1.00 0.00 O ATOM 1444 OE2 GLU B 37 -1.064 0.199 -5.857 1.00 0.00 O ATOM 0 H GLU B 37 -3.224 1.724 -9.868 1.00 0.00 H new ATOM 0 HA GLU B 37 -0.822 2.932 -8.963 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -1.340 0.282 -10.381 1.00 0.00 H new ATOM 0 HB3 GLU B 37 0.162 0.711 -9.588 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -2.510 0.451 -8.165 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -1.326 -0.836 -8.285 1.00 0.00 H new ATOM 1451 N GLU B 38 -1.242 3.155 -12.142 1.00 0.00 N ATOM 1452 CA GLU B 38 -0.700 3.827 -13.335 1.00 0.00 C ATOM 1453 C GLU B 38 -0.272 5.269 -13.026 1.00 0.00 C ATOM 1454 O GLU B 38 0.847 5.678 -13.345 1.00 0.00 O ATOM 1455 CB GLU B 38 -1.772 3.819 -14.433 1.00 0.00 C ATOM 1456 CG GLU B 38 -1.254 4.196 -15.830 1.00 0.00 C ATOM 1457 CD GLU B 38 -1.793 5.567 -16.281 1.00 0.00 C ATOM 1458 OE1 GLU B 38 -2.996 5.659 -16.622 1.00 0.00 O ATOM 1459 OE2 GLU B 38 -1.035 6.563 -16.264 1.00 0.00 O ATOM 0 H GLU B 38 -2.240 2.953 -12.208 1.00 0.00 H new ATOM 0 HA GLU B 38 0.188 3.289 -13.668 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -2.219 2.826 -14.480 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -2.566 4.512 -14.154 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -0.164 4.217 -15.822 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -1.552 3.432 -16.548 1.00 0.00 H new ATOM 1466 N LYS B 39 -1.130 6.022 -12.319 1.00 0.00 N ATOM 1467 CA LYS B 39 -0.787 7.372 -11.819 1.00 0.00 C ATOM 1468 C LYS B 39 0.499 7.319 -10.988 1.00 0.00 C ATOM 1469 O LYS B 39 1.401 8.130 -11.177 1.00 0.00 O ATOM 1470 CB LYS B 39 -1.914 7.992 -10.967 1.00 0.00 C ATOM 1471 CG LYS B 39 -3.103 8.630 -11.706 1.00 0.00 C ATOM 1472 CD LYS B 39 -4.078 7.647 -12.373 1.00 0.00 C ATOM 1473 CE LYS B 39 -3.701 7.373 -13.833 1.00 0.00 C ATOM 1474 NZ LYS B 39 -4.590 6.357 -14.446 1.00 0.00 N ATOM 0 H LYS B 39 -2.074 5.720 -12.077 1.00 0.00 H new ATOM 0 HA LYS B 39 -0.645 8.004 -12.696 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -2.305 7.214 -10.312 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -1.469 8.754 -10.327 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -3.661 9.242 -10.998 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -2.714 9.302 -12.471 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -4.085 6.709 -11.817 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -5.089 8.052 -12.329 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -3.759 8.300 -14.404 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -2.667 7.031 -13.884 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -4.225 6.098 -15.385 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -4.621 5.512 -13.841 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -5.549 6.748 -14.543 1.00 0.00 H new ATOM 1488 N HIS B 40 0.616 6.307 -10.127 1.00 0.00 N ATOM 1489 CA HIS B 40 1.739 6.088 -9.214 1.00 0.00 C ATOM 1490 C HIS B 40 3.088 5.767 -9.879 1.00 0.00 C ATOM 1491 O HIS B 40 4.100 5.801 -9.185 1.00 0.00 O ATOM 1492 CB HIS B 40 1.390 4.926 -8.284 1.00 0.00 C ATOM 1493 CG HIS B 40 0.326 5.156 -7.241 1.00 0.00 C ATOM 1494 ND1 HIS B 40 0.159 4.360 -6.098 1.00 0.00 N ATOM 1495 CD2 HIS B 40 -0.634 6.123 -7.257 1.00 0.00 C ATOM 1496 CE1 HIS B 40 -0.908 4.887 -5.458 1.00 0.00 C ATOM 1497 NE2 HIS B 40 -1.396 5.941 -6.132 1.00 0.00 N ATOM 0 H HIS B 40 -0.101 5.586 -10.043 1.00 0.00 H new ATOM 0 HA HIS B 40 1.876 7.037 -8.695 1.00 0.00 H new ATOM 0 HB2 HIS B 40 1.077 4.085 -8.902 1.00 0.00 H new ATOM 0 HB3 HIS B 40 2.302 4.622 -7.771 1.00 0.00 H new ATOM 0 HD1 HIS B 40 0.721 3.558 -5.812 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -0.769 6.885 -8.010 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -1.313 4.511 -4.530 1.00 0.00 H new ATOM 0 HE2 HIS B 40 -2.197 6.509 -5.854 1.00 0.00 H new ATOM 1505 N ILE B 41 3.125 5.469 -11.182 1.00 0.00 N ATOM 1506 CA ILE B 41 4.346 5.168 -11.956 1.00 0.00 C ATOM 1507 C ILE B 41 4.681 6.335 -12.903 1.00 0.00 C ATOM 1508 O ILE B 41 5.852 6.631 -13.136 1.00 0.00 O ATOM 1509 CB ILE B 41 4.217 3.804 -12.695 1.00 0.00 C ATOM 1510 CG1 ILE B 41 5.557 3.035 -12.682 1.00 0.00 C ATOM 1511 CG2 ILE B 41 3.736 3.903 -14.153 1.00 0.00 C ATOM 1512 CD1 ILE B 41 5.706 2.189 -11.414 1.00 0.00 C ATOM 0 H ILE B 41 2.280 5.428 -11.751 1.00 0.00 H new ATOM 0 HA ILE B 41 5.186 5.064 -11.269 1.00 0.00 H new ATOM 0 HB ILE B 41 3.449 3.270 -12.135 1.00 0.00 H new ATOM 0 HG12 ILE B 41 5.617 2.391 -13.559 1.00 0.00 H new ATOM 0 HG13 ILE B 41 6.384 3.742 -12.748 1.00 0.00 H new ATOM 0 HG21 ILE B 41 3.677 2.904 -14.585 1.00 0.00 H new ATOM 0 HG22 ILE B 41 2.751 4.369 -14.180 1.00 0.00 H new ATOM 0 HG23 ILE B 41 4.439 4.506 -14.728 1.00 0.00 H new ATOM 0 HD11 ILE B 41 6.660 1.662 -11.438 1.00 0.00 H new ATOM 0 HD12 ILE B 41 5.672 2.837 -10.538 1.00 0.00 H new ATOM 0 HD13 ILE B 41 4.893 1.465 -11.362 1.00 0.00 H new ATOM 1524 N GLU B 42 3.664 7.063 -13.383 1.00 0.00 N ATOM 1525 CA GLU B 42 3.831 8.326 -14.110 1.00 0.00 C ATOM 1526 C GLU B 42 4.370 9.429 -13.178 1.00 0.00 C ATOM 1527 O GLU B 42 5.398 10.043 -13.470 1.00 0.00 O ATOM 1528 CB GLU B 42 2.480 8.723 -14.734 1.00 0.00 C ATOM 1529 CG GLU B 42 2.571 9.883 -15.734 1.00 0.00 C ATOM 1530 CD GLU B 42 3.187 9.443 -17.079 1.00 0.00 C ATOM 1531 OE1 GLU B 42 4.435 9.416 -17.205 1.00 0.00 O ATOM 1532 OE2 GLU B 42 2.427 9.138 -18.031 1.00 0.00 O ATOM 0 H GLU B 42 2.688 6.786 -13.275 1.00 0.00 H new ATOM 0 HA GLU B 42 4.565 8.197 -14.906 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.055 7.855 -15.238 1.00 0.00 H new ATOM 0 HB3 GLU B 42 1.790 8.998 -13.936 1.00 0.00 H new ATOM 0 HG2 GLU B 42 1.575 10.290 -15.908 1.00 0.00 H new ATOM 0 HG3 GLU B 42 3.173 10.684 -15.305 1.00 0.00 H new ATOM 1539 N TRP B 43 3.743 9.617 -12.006 1.00 0.00 N ATOM 1540 CA TRP B 43 4.234 10.502 -10.939 1.00 0.00 C ATOM 1541 C TRP B 43 5.626 10.107 -10.441 1.00 0.00 C ATOM 1542 O TRP B 43 6.408 10.971 -10.048 1.00 0.00 O ATOM 1543 CB TRP B 43 3.269 10.481 -9.740 1.00 0.00 C ATOM 1544 CG TRP B 43 1.874 10.984 -9.954 1.00 0.00 C ATOM 1545 CD1 TRP B 43 1.485 11.883 -10.887 1.00 0.00 C ATOM 1546 CD2 TRP B 43 0.668 10.656 -9.190 1.00 0.00 C ATOM 1547 NE1 TRP B 43 0.136 12.134 -10.752 1.00 0.00 N ATOM 1548 CE2 TRP B 43 -0.418 11.422 -9.711 1.00 0.00 C ATOM 1549 CE3 TRP B 43 0.385 9.814 -8.091 1.00 0.00 C ATOM 1550 CZ2 TRP B 43 -1.711 11.366 -9.169 1.00 0.00 C ATOM 1551 CZ3 TRP B 43 -0.909 9.751 -7.535 1.00 0.00 C ATOM 1552 CH2 TRP B 43 -1.955 10.524 -8.070 1.00 0.00 C ATOM 0 H TRP B 43 2.867 9.151 -11.770 1.00 0.00 H new ATOM 0 HA TRP B 43 4.292 11.501 -11.372 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.203 9.454 -9.382 1.00 0.00 H new ATOM 0 HB3 TRP B 43 3.717 11.069 -8.939 1.00 0.00 H new ATOM 0 HD1 TRP B 43 2.132 12.335 -11.624 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -0.389 12.771 -11.351 1.00 0.00 H new ATOM 0 HE3 TRP B 43 1.174 9.208 -7.670 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -2.508 11.961 -9.590 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -1.099 9.104 -6.691 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -2.943 10.471 -7.638 1.00 0.00 H new ATOM 1563 N LEU B 44 5.945 8.809 -10.468 1.00 0.00 N ATOM 1564 CA LEU B 44 7.237 8.275 -10.028 1.00 0.00 C ATOM 1565 C LEU B 44 8.407 8.880 -10.811 1.00 0.00 C ATOM 1566 O LEU B 44 9.338 9.438 -10.237 1.00 0.00 O ATOM 1567 CB LEU B 44 7.189 6.757 -10.224 1.00 0.00 C ATOM 1568 CG LEU B 44 7.903 5.950 -9.154 1.00 0.00 C ATOM 1569 CD1 LEU B 44 7.607 4.479 -9.367 1.00 0.00 C ATOM 1570 CD2 LEU B 44 9.401 6.220 -9.103 1.00 0.00 C ATOM 0 H LEU B 44 5.303 8.090 -10.801 1.00 0.00 H new ATOM 0 HA LEU B 44 7.403 8.533 -8.982 1.00 0.00 H new ATOM 0 HB2 LEU B 44 6.146 6.443 -10.259 1.00 0.00 H new ATOM 0 HB3 LEU B 44 7.627 6.517 -11.193 1.00 0.00 H new ATOM 0 HG LEU B 44 7.522 6.264 -8.182 1.00 0.00 H new ATOM 0 HD11 LEU B 44 8.116 3.891 -8.603 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.532 4.311 -9.299 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.960 4.176 -10.353 1.00 0.00 H new ATOM 0 HD21 LEU B 44 9.854 5.613 -8.319 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.850 5.965 -10.063 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.574 7.275 -8.891 1.00 0.00 H new ATOM 1582 N GLU B 45 8.322 8.808 -12.137 1.00 0.00 N ATOM 1583 CA GLU B 45 9.305 9.398 -13.051 1.00 0.00 C ATOM 1584 C GLU B 45 9.413 10.923 -12.877 1.00 0.00 C ATOM 1585 O GLU B 45 10.516 11.470 -12.831 1.00 0.00 O ATOM 1586 CB GLU B 45 8.938 9.038 -14.497 1.00 0.00 C ATOM 1587 CG GLU B 45 10.143 9.198 -15.433 1.00 0.00 C ATOM 1588 CD GLU B 45 9.805 8.749 -16.868 1.00 0.00 C ATOM 1589 OE1 GLU B 45 9.908 7.534 -17.169 1.00 0.00 O ATOM 1590 OE2 GLU B 45 9.457 9.610 -17.713 1.00 0.00 O ATOM 0 H GLU B 45 7.558 8.332 -12.617 1.00 0.00 H new ATOM 0 HA GLU B 45 10.285 8.985 -12.811 1.00 0.00 H new ATOM 0 HB2 GLU B 45 8.577 8.010 -14.538 1.00 0.00 H new ATOM 0 HB3 GLU B 45 8.123 9.676 -14.837 1.00 0.00 H new ATOM 0 HG2 GLU B 45 10.462 10.240 -15.442 1.00 0.00 H new ATOM 0 HG3 GLU B 45 10.980 8.611 -15.054 1.00 0.00 H new ATOM 1597 N THR B 46 8.275 11.604 -12.707 1.00 0.00 N ATOM 1598 CA THR B 46 8.216 13.049 -12.408 1.00 0.00 C ATOM 1599 C THR B 46 8.941 13.414 -11.104 1.00 0.00 C ATOM 1600 O THR B 46 9.671 14.406 -11.068 1.00 0.00 O ATOM 1601 CB THR B 46 6.761 13.546 -12.351 1.00 0.00 C ATOM 1602 OG1 THR B 46 6.070 13.209 -13.536 1.00 0.00 O ATOM 1603 CG2 THR B 46 6.635 15.062 -12.186 1.00 0.00 C ATOM 0 H THR B 46 7.355 11.167 -12.773 1.00 0.00 H new ATOM 0 HA THR B 46 8.735 13.549 -13.226 1.00 0.00 H new ATOM 0 HB THR B 46 6.334 13.057 -11.475 1.00 0.00 H new ATOM 0 HG1 THR B 46 5.847 12.255 -13.524 1.00 0.00 H new ATOM 0 HG21 THR B 46 5.581 15.338 -12.154 1.00 0.00 H new ATOM 0 HG22 THR B 46 7.119 15.369 -11.259 1.00 0.00 H new ATOM 0 HG23 THR B 46 7.115 15.561 -13.028 1.00 0.00 H new ATOM 1611 N ILE B 47 8.793 12.610 -10.044 1.00 0.00 N ATOM 1612 CA ILE B 47 9.391 12.869 -8.720 1.00 0.00 C ATOM 1613 C ILE B 47 10.848 12.386 -8.586 1.00 0.00 C ATOM 1614 O ILE B 47 11.526 12.672 -7.598 1.00 0.00 O ATOM 1615 CB ILE B 47 8.433 12.370 -7.604 1.00 0.00 C ATOM 1616 CG1 ILE B 47 8.334 13.348 -6.414 1.00 0.00 C ATOM 1617 CG2 ILE B 47 8.762 10.968 -7.069 1.00 0.00 C ATOM 1618 CD1 ILE B 47 7.593 14.646 -6.766 1.00 0.00 C ATOM 0 H ILE B 47 8.248 11.749 -10.078 1.00 0.00 H new ATOM 0 HA ILE B 47 9.493 13.947 -8.598 1.00 0.00 H new ATOM 0 HB ILE B 47 7.468 12.317 -8.108 1.00 0.00 H new ATOM 0 HG12 ILE B 47 7.821 12.856 -5.588 1.00 0.00 H new ATOM 0 HG13 ILE B 47 9.338 13.592 -6.066 1.00 0.00 H new ATOM 0 HG21 ILE B 47 8.045 10.697 -6.294 1.00 0.00 H new ATOM 0 HG22 ILE B 47 8.706 10.246 -7.883 1.00 0.00 H new ATOM 0 HG23 ILE B 47 9.768 10.965 -6.650 1.00 0.00 H new ATOM 0 HD11 ILE B 47 7.556 15.293 -5.889 1.00 0.00 H new ATOM 0 HD12 ILE B 47 8.118 15.158 -7.572 1.00 0.00 H new ATOM 0 HD13 ILE B 47 6.578 14.410 -7.086 1.00 0.00 H new ATOM 1630 N ASN B 48 11.353 11.714 -9.622 1.00 0.00 N ATOM 1631 CA ASN B 48 12.736 11.236 -9.748 1.00 0.00 C ATOM 1632 C ASN B 48 13.762 12.361 -10.046 1.00 0.00 C ATOM 1633 O ASN B 48 14.972 12.118 -10.021 1.00 0.00 O ATOM 1634 CB ASN B 48 12.777 10.112 -10.813 1.00 0.00 C ATOM 1635 CG ASN B 48 13.831 9.033 -10.583 1.00 0.00 C ATOM 1636 OD1 ASN B 48 13.528 7.852 -10.499 1.00 0.00 O ATOM 1637 ND2 ASN B 48 15.095 9.372 -10.490 1.00 0.00 N ATOM 0 H ASN B 48 10.785 11.476 -10.435 1.00 0.00 H new ATOM 0 HA ASN B 48 13.045 10.840 -8.781 1.00 0.00 H new ATOM 0 HB2 ASN B 48 11.797 9.636 -10.853 1.00 0.00 H new ATOM 0 HB3 ASN B 48 12.952 10.565 -11.789 1.00 0.00 H new ATOM 0 HD21 ASN B 48 15.806 8.655 -10.350 1.00 0.00 H new ATOM 0 HD22 ASN B 48 15.366 10.353 -10.558 1.00 0.00 H new