USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 436 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 167 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 THR OG1 : rot 180:sc= -0.0161 USER MOD Single : A 171 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 172 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 174 THR OG1 : rot 180:sc= 0 USER MOD Single : A 182 THR OG1 : rot 27:sc= 0.322 USER MOD Single : A 184 SER OG : rot -52:sc= 0.101 USER MOD Single : A 186 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 190 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 191 MET CE :methyl -159:sc= -2.53 (180deg=-2.97) USER MOD Single : B 167 THR OG1 : rot 49:sc= 0.339 USER MOD Single : B 169 THR OG1 : rot 180:sc= 0.00804 USER MOD Single : B 171 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 172 THR OG1 : rot 180:sc= 0 USER MOD Single : B 174 THR OG1 : rot 97:sc= 1.22 USER MOD Single : B 182 THR OG1 : rot -82:sc= 1.19 USER MOD Single : B 184 SER OG : rot 85:sc= 0.182 USER MOD Single : B 186 THR OG1 : rot -92:sc= 1.26 USER MOD Single : B 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 190 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0851) USER MOD Single : B 191 MET CE :methyl 141:sc= -0.26 (180deg=-1.34!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 166 1.485 -8.167 31.056 1.00 0.00 N ATOM 2 CA GLY A 166 2.223 -7.997 29.773 1.00 0.00 C ATOM 3 C GLY A 166 1.781 -9.067 28.781 1.00 0.00 C ATOM 4 O GLY A 166 1.692 -10.249 29.131 1.00 0.00 O ATOM 0 HA2 GLY A 166 2.033 -7.005 29.362 1.00 0.00 H new ATOM 0 HA3 GLY A 166 3.297 -8.070 29.947 1.00 0.00 H new ATOM 10 N THR A 167 1.501 -8.674 27.558 1.00 0.00 N ATOM 11 CA THR A 167 1.058 -9.652 26.518 1.00 0.00 C ATOM 12 C THR A 167 2.234 -9.936 25.559 1.00 0.00 C ATOM 13 O THR A 167 2.414 -9.203 24.582 1.00 0.00 O ATOM 14 CB THR A 167 -0.136 -9.080 25.740 1.00 0.00 C ATOM 15 OG1 THR A 167 -1.042 -8.473 26.649 1.00 0.00 O ATOM 16 CG2 THR A 167 -0.849 -10.204 24.983 1.00 0.00 C ATOM 0 H THR A 167 1.562 -7.708 27.237 1.00 0.00 H new ATOM 0 HA THR A 167 0.748 -10.582 26.995 1.00 0.00 H new ATOM 0 HB THR A 167 0.221 -8.337 25.026 1.00 0.00 H new ATOM 0 HG1 THR A 167 -1.804 -8.106 26.155 1.00 0.00 H new ATOM 0 HG21 THR A 167 -1.695 -9.792 24.433 1.00 0.00 H new ATOM 0 HG22 THR A 167 -0.154 -10.670 24.284 1.00 0.00 H new ATOM 0 HG23 THR A 167 -1.206 -10.951 25.692 1.00 0.00 H new ATOM 24 N PRO A 168 3.048 -10.968 25.810 1.00 0.00 N ATOM 25 CA PRO A 168 4.214 -11.296 24.925 1.00 0.00 C ATOM 26 C PRO A 168 3.777 -11.801 23.552 1.00 0.00 C ATOM 27 O PRO A 168 2.674 -12.338 23.400 1.00 0.00 O ATOM 28 CB PRO A 168 4.972 -12.386 25.690 1.00 0.00 C ATOM 29 CG PRO A 168 3.958 -13.023 26.576 1.00 0.00 C ATOM 30 CD PRO A 168 2.960 -11.927 26.940 1.00 0.00 C ATOM 0 HA PRO A 168 4.823 -10.415 24.722 1.00 0.00 H new ATOM 0 HB2 PRO A 168 5.410 -13.114 25.007 1.00 0.00 H new ATOM 0 HB3 PRO A 168 5.791 -11.962 26.271 1.00 0.00 H new ATOM 0 HG2 PRO A 168 3.461 -13.849 26.067 1.00 0.00 H new ATOM 0 HG3 PRO A 168 4.426 -13.435 27.470 1.00 0.00 H new ATOM 0 HD2 PRO A 168 1.951 -12.326 27.047 1.00 0.00 H new ATOM 0 HD3 PRO A 168 3.217 -11.452 27.887 1.00 0.00 H new ATOM 38 N THR A 169 4.622 -11.637 22.557 1.00 0.00 N ATOM 39 CA THR A 169 4.284 -12.102 21.177 1.00 0.00 C ATOM 40 C THR A 169 5.045 -13.393 20.883 1.00 0.00 C ATOM 41 O THR A 169 6.059 -13.682 21.526 1.00 0.00 O ATOM 42 CB THR A 169 4.643 -11.018 20.140 1.00 0.00 C ATOM 43 OG1 THR A 169 4.333 -11.497 18.840 1.00 0.00 O ATOM 44 CG2 THR A 169 6.140 -10.655 20.202 1.00 0.00 C ATOM 0 H THR A 169 5.538 -11.197 22.647 1.00 0.00 H new ATOM 0 HA THR A 169 3.212 -12.291 21.112 1.00 0.00 H new ATOM 0 HB THR A 169 4.064 -10.122 20.366 1.00 0.00 H new ATOM 0 HG1 THR A 169 4.557 -10.811 18.177 1.00 0.00 H new ATOM 0 HG21 THR A 169 6.360 -9.889 19.459 1.00 0.00 H new ATOM 0 HG22 THR A 169 6.382 -10.277 21.195 1.00 0.00 H new ATOM 0 HG23 THR A 169 6.738 -11.542 19.996 1.00 0.00 H new ATOM 52 N TRP A 170 4.572 -14.169 19.933 1.00 0.00 N ATOM 53 CA TRP A 170 5.252 -15.458 19.583 1.00 0.00 C ATOM 54 C TRP A 170 6.233 -15.237 18.422 1.00 0.00 C ATOM 55 O TRP A 170 7.188 -16.006 18.264 1.00 0.00 O ATOM 56 CB TRP A 170 4.195 -16.518 19.194 1.00 0.00 C ATOM 57 CG TRP A 170 4.141 -17.621 20.215 1.00 0.00 C ATOM 58 CD1 TRP A 170 4.597 -18.877 20.019 1.00 0.00 C ATOM 59 CD2 TRP A 170 3.617 -17.582 21.574 1.00 0.00 C ATOM 60 NE1 TRP A 170 4.382 -19.617 21.169 1.00 0.00 N ATOM 61 CE2 TRP A 170 3.781 -18.862 22.156 1.00 0.00 C ATOM 62 CE3 TRP A 170 3.019 -16.573 22.351 1.00 0.00 C ATOM 63 CZ2 TRP A 170 3.368 -19.131 23.461 1.00 0.00 C ATOM 64 CZ3 TRP A 170 2.603 -16.840 23.666 1.00 0.00 C ATOM 65 CH2 TRP A 170 2.777 -18.117 24.219 1.00 0.00 C ATOM 0 H TRP A 170 3.739 -13.962 19.382 1.00 0.00 H new ATOM 0 HA TRP A 170 5.810 -15.814 20.449 1.00 0.00 H new ATOM 0 HB2 TRP A 170 3.216 -16.047 19.109 1.00 0.00 H new ATOM 0 HB3 TRP A 170 4.434 -16.934 18.215 1.00 0.00 H new ATOM 0 HD1 TRP A 170 5.055 -19.244 19.112 1.00 0.00 H new ATOM 0 HE1 TRP A 170 4.636 -20.599 21.274 1.00 0.00 H new ATOM 0 HE3 TRP A 170 2.879 -15.587 21.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 3.504 -20.116 23.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 2.147 -16.058 24.254 1.00 0.00 H new ATOM 0 HH2 TRP A 170 2.454 -18.316 25.230 1.00 0.00 H new ATOM 76 N GLN A 171 6.022 -14.216 17.615 1.00 0.00 N ATOM 77 CA GLN A 171 6.943 -13.946 16.465 1.00 0.00 C ATOM 78 C GLN A 171 8.358 -13.728 16.997 1.00 0.00 C ATOM 79 O GLN A 171 9.333 -14.198 16.401 1.00 0.00 O ATOM 80 CB GLN A 171 6.480 -12.705 15.695 1.00 0.00 C ATOM 81 CG GLN A 171 5.144 -12.999 15.011 1.00 0.00 C ATOM 82 CD GLN A 171 4.822 -11.906 13.999 1.00 0.00 C ATOM 83 OE1 GLN A 171 4.793 -12.163 12.796 1.00 0.00 O ATOM 84 NE2 GLN A 171 4.573 -10.694 14.416 1.00 0.00 N ATOM 0 H GLN A 171 5.248 -13.558 17.707 1.00 0.00 H new ATOM 0 HA GLN A 171 6.933 -14.800 15.787 1.00 0.00 H new ATOM 0 HB2 GLN A 171 6.374 -11.860 16.375 1.00 0.00 H new ATOM 0 HB3 GLN A 171 7.227 -12.425 14.952 1.00 0.00 H new ATOM 0 HG2 GLN A 171 5.188 -13.967 14.511 1.00 0.00 H new ATOM 0 HG3 GLN A 171 4.351 -13.061 15.756 1.00 0.00 H new ATOM 0 HE21 GLN A 171 4.597 -10.483 15.414 1.00 0.00 H new ATOM 0 HE22 GLN A 171 4.354 -9.958 13.744 1.00 0.00 H new ATOM 93 N THR A 172 8.481 -13.042 18.112 1.00 0.00 N ATOM 94 CA THR A 172 9.824 -12.792 18.722 1.00 0.00 C ATOM 95 C THR A 172 10.384 -14.109 19.258 1.00 0.00 C ATOM 96 O THR A 172 11.602 -14.317 19.271 1.00 0.00 O ATOM 97 CB THR A 172 9.701 -11.787 19.871 1.00 0.00 C ATOM 98 OG1 THR A 172 8.669 -12.210 20.749 1.00 0.00 O ATOM 99 CG2 THR A 172 9.368 -10.400 19.318 1.00 0.00 C ATOM 0 H THR A 172 7.698 -12.642 18.629 1.00 0.00 H new ATOM 0 HA THR A 172 10.493 -12.384 17.964 1.00 0.00 H new ATOM 0 HB THR A 172 10.647 -11.735 20.411 1.00 0.00 H new ATOM 0 HG1 THR A 172 8.586 -11.572 21.488 1.00 0.00 H new ATOM 0 HG21 THR A 172 9.282 -9.691 20.141 1.00 0.00 H new ATOM 0 HG22 THR A 172 10.161 -10.078 18.643 1.00 0.00 H new ATOM 0 HG23 THR A 172 8.424 -10.442 18.775 1.00 0.00 H new ATOM 107 N VAL A 173 9.521 -14.993 19.706 1.00 0.00 N ATOM 108 CA VAL A 173 9.981 -16.306 20.254 1.00 0.00 C ATOM 109 C VAL A 173 10.570 -17.139 19.122 1.00 0.00 C ATOM 110 O VAL A 173 11.612 -17.779 19.293 1.00 0.00 O ATOM 111 CB VAL A 173 8.818 -17.092 20.895 1.00 0.00 C ATOM 112 CG1 VAL A 173 9.385 -18.260 21.704 1.00 0.00 C ATOM 113 CG2 VAL A 173 8.002 -16.196 21.834 1.00 0.00 C ATOM 0 H VAL A 173 8.510 -14.857 19.714 1.00 0.00 H new ATOM 0 HA VAL A 173 10.728 -16.109 21.023 1.00 0.00 H new ATOM 0 HB VAL A 173 8.168 -17.454 20.098 1.00 0.00 H new ATOM 0 HG11 VAL A 173 8.567 -18.819 22.159 1.00 0.00 H new ATOM 0 HG12 VAL A 173 9.951 -18.918 21.045 1.00 0.00 H new ATOM 0 HG13 VAL A 173 10.041 -17.877 22.485 1.00 0.00 H new ATOM 0 HG21 VAL A 173 7.189 -16.774 22.273 1.00 0.00 H new ATOM 0 HG22 VAL A 173 8.647 -15.817 22.627 1.00 0.00 H new ATOM 0 HG23 VAL A 173 7.590 -15.359 21.271 1.00 0.00 H new ATOM 123 N THR A 174 9.910 -17.164 17.981 1.00 0.00 N ATOM 124 CA THR A 174 10.406 -17.989 16.832 1.00 0.00 C ATOM 125 C THR A 174 11.749 -17.465 16.323 1.00 0.00 C ATOM 126 O THR A 174 12.659 -18.262 16.062 1.00 0.00 O ATOM 127 CB THR A 174 9.381 -17.954 15.695 1.00 0.00 C ATOM 128 OG1 THR A 174 8.084 -18.189 16.223 1.00 0.00 O ATOM 129 CG2 THR A 174 9.717 -19.034 14.664 1.00 0.00 C ATOM 0 H THR A 174 9.049 -16.647 17.800 1.00 0.00 H new ATOM 0 HA THR A 174 10.542 -19.014 17.178 1.00 0.00 H new ATOM 0 HB THR A 174 9.408 -16.977 15.213 1.00 0.00 H new ATOM 0 HG1 THR A 174 7.426 -18.165 15.497 1.00 0.00 H new ATOM 0 HG21 THR A 174 8.986 -19.006 13.856 1.00 0.00 H new ATOM 0 HG22 THR A 174 10.712 -18.853 14.258 1.00 0.00 H new ATOM 0 HG23 THR A 174 9.693 -20.013 15.142 1.00 0.00 H new ATOM 137 N ILE A 175 11.904 -16.163 16.176 1.00 0.00 N ATOM 138 CA ILE A 175 13.210 -15.616 15.681 1.00 0.00 C ATOM 139 C ILE A 175 14.301 -15.870 16.727 1.00 0.00 C ATOM 140 O ILE A 175 15.440 -16.197 16.379 1.00 0.00 O ATOM 141 CB ILE A 175 13.093 -14.117 15.306 1.00 0.00 C ATOM 142 CG1 ILE A 175 14.312 -13.715 14.454 1.00 0.00 C ATOM 143 CG2 ILE A 175 13.025 -13.223 16.555 1.00 0.00 C ATOM 144 CD1 ILE A 175 13.996 -12.439 13.671 1.00 0.00 C ATOM 0 H ILE A 175 11.188 -15.465 16.376 1.00 0.00 H new ATOM 0 HA ILE A 175 13.489 -16.136 14.764 1.00 0.00 H new ATOM 0 HB ILE A 175 12.170 -13.977 14.743 1.00 0.00 H new ATOM 0 HG12 ILE A 175 15.179 -13.554 15.095 1.00 0.00 H new ATOM 0 HG13 ILE A 175 14.569 -14.521 13.766 1.00 0.00 H new ATOM 0 HG21 ILE A 175 12.944 -12.179 16.251 1.00 0.00 H new ATOM 0 HG22 ILE A 175 12.154 -13.497 17.151 1.00 0.00 H new ATOM 0 HG23 ILE A 175 13.929 -13.359 17.149 1.00 0.00 H new ATOM 0 HD11 ILE A 175 14.860 -12.158 13.070 1.00 0.00 H new ATOM 0 HD12 ILE A 175 13.141 -12.615 13.018 1.00 0.00 H new ATOM 0 HD13 ILE A 175 13.761 -11.634 14.367 1.00 0.00 H new ATOM 156 N PHE A 176 13.964 -15.729 17.994 1.00 0.00 N ATOM 157 CA PHE A 176 14.962 -15.965 19.086 1.00 0.00 C ATOM 158 C PHE A 176 15.467 -17.400 18.968 1.00 0.00 C ATOM 159 O PHE A 176 16.673 -17.658 19.030 1.00 0.00 O ATOM 160 CB PHE A 176 14.296 -15.764 20.463 1.00 0.00 C ATOM 161 CG PHE A 176 15.316 -15.341 21.512 1.00 0.00 C ATOM 162 CD1 PHE A 176 16.405 -16.172 21.824 1.00 0.00 C ATOM 163 CD2 PHE A 176 15.162 -14.121 22.182 1.00 0.00 C ATOM 164 CE1 PHE A 176 17.332 -15.778 22.798 1.00 0.00 C ATOM 165 CE2 PHE A 176 16.089 -13.728 23.153 1.00 0.00 C ATOM 166 CZ PHE A 176 17.172 -14.557 23.461 1.00 0.00 C ATOM 0 H PHE A 176 13.034 -15.459 18.316 1.00 0.00 H new ATOM 0 HA PHE A 176 15.789 -15.261 18.993 1.00 0.00 H new ATOM 0 HB2 PHE A 176 13.515 -15.007 20.385 1.00 0.00 H new ATOM 0 HB3 PHE A 176 13.813 -16.690 20.775 1.00 0.00 H new ATOM 0 HD1 PHE A 176 16.528 -17.115 21.313 1.00 0.00 H new ATOM 0 HD2 PHE A 176 14.324 -13.481 21.948 1.00 0.00 H new ATOM 0 HE1 PHE A 176 18.170 -16.417 23.037 1.00 0.00 H new ATOM 0 HE2 PHE A 176 15.968 -12.785 23.665 1.00 0.00 H new ATOM 0 HZ PHE A 176 17.886 -14.254 24.212 1.00 0.00 H new ATOM 176 N VAL A 177 14.556 -18.330 18.786 1.00 0.00 N ATOM 177 CA VAL A 177 14.926 -19.770 18.642 1.00 0.00 C ATOM 178 C VAL A 177 15.713 -19.950 17.338 1.00 0.00 C ATOM 179 O VAL A 177 16.663 -20.732 17.289 1.00 0.00 O ATOM 180 CB VAL A 177 13.662 -20.657 18.657 1.00 0.00 C ATOM 181 CG1 VAL A 177 14.038 -22.135 18.477 1.00 0.00 C ATOM 182 CG2 VAL A 177 12.943 -20.492 20.001 1.00 0.00 C ATOM 0 H VAL A 177 13.555 -18.144 18.731 1.00 0.00 H new ATOM 0 HA VAL A 177 15.550 -20.077 19.481 1.00 0.00 H new ATOM 0 HB VAL A 177 13.012 -20.350 17.837 1.00 0.00 H new ATOM 0 HG11 VAL A 177 13.134 -22.745 18.490 1.00 0.00 H new ATOM 0 HG12 VAL A 177 14.551 -22.267 17.524 1.00 0.00 H new ATOM 0 HG13 VAL A 177 14.696 -22.444 19.289 1.00 0.00 H new ATOM 0 HG21 VAL A 177 12.050 -21.117 20.015 1.00 0.00 H new ATOM 0 HG22 VAL A 177 13.609 -20.793 20.809 1.00 0.00 H new ATOM 0 HG23 VAL A 177 12.658 -19.449 20.135 1.00 0.00 H new ATOM 192 N ALA A 178 15.318 -19.264 16.284 1.00 0.00 N ATOM 193 CA ALA A 178 16.018 -19.402 14.968 1.00 0.00 C ATOM 194 C ALA A 178 17.489 -19.014 15.117 1.00 0.00 C ATOM 195 O ALA A 178 18.365 -19.663 14.533 1.00 0.00 O ATOM 196 CB ALA A 178 15.353 -18.497 13.925 1.00 0.00 C ATOM 0 H ALA A 178 14.534 -18.611 16.284 1.00 0.00 H new ATOM 0 HA ALA A 178 15.951 -20.439 14.640 1.00 0.00 H new ATOM 0 HB1 ALA A 178 15.868 -18.603 12.970 1.00 0.00 H new ATOM 0 HB2 ALA A 178 14.308 -18.784 13.808 1.00 0.00 H new ATOM 0 HB3 ALA A 178 15.409 -17.460 14.255 1.00 0.00 H new ATOM 202 N GLY A 179 17.780 -17.979 15.876 1.00 0.00 N ATOM 203 CA GLY A 179 19.204 -17.544 16.062 1.00 0.00 C ATOM 204 C GLY A 179 19.955 -18.581 16.898 1.00 0.00 C ATOM 205 O GLY A 179 21.105 -18.922 16.592 1.00 0.00 O ATOM 0 H GLY A 179 17.091 -17.417 16.375 1.00 0.00 H new ATOM 0 HA2 GLY A 179 19.688 -17.425 15.092 1.00 0.00 H new ATOM 0 HA3 GLY A 179 19.236 -16.573 16.555 1.00 0.00 H new ATOM 209 N VAL A 180 19.330 -19.090 17.939 1.00 0.00 N ATOM 210 CA VAL A 180 19.992 -20.118 18.812 1.00 0.00 C ATOM 211 C VAL A 180 20.143 -21.426 18.027 1.00 0.00 C ATOM 212 O VAL A 180 21.113 -22.165 18.222 1.00 0.00 O ATOM 213 CB VAL A 180 19.156 -20.362 20.087 1.00 0.00 C ATOM 214 CG1 VAL A 180 19.886 -21.340 21.017 1.00 0.00 C ATOM 215 CG2 VAL A 180 18.939 -19.040 20.835 1.00 0.00 C ATOM 0 H VAL A 180 18.384 -18.835 18.222 1.00 0.00 H new ATOM 0 HA VAL A 180 20.975 -19.754 19.110 1.00 0.00 H new ATOM 0 HB VAL A 180 18.194 -20.782 19.793 1.00 0.00 H new ATOM 0 HG11 VAL A 180 19.288 -21.505 21.913 1.00 0.00 H new ATOM 0 HG12 VAL A 180 20.037 -22.288 20.501 1.00 0.00 H new ATOM 0 HG13 VAL A 180 20.853 -20.922 21.298 1.00 0.00 H new ATOM 0 HG21 VAL A 180 18.348 -19.223 21.733 1.00 0.00 H new ATOM 0 HG22 VAL A 180 19.904 -18.618 21.115 1.00 0.00 H new ATOM 0 HG23 VAL A 180 18.410 -18.339 20.189 1.00 0.00 H new ATOM 225 N LEU A 181 19.198 -21.727 17.165 1.00 0.00 N ATOM 226 CA LEU A 181 19.249 -22.988 16.367 1.00 0.00 C ATOM 227 C LEU A 181 20.440 -22.954 15.414 1.00 0.00 C ATOM 228 O LEU A 181 21.143 -23.951 15.258 1.00 0.00 O ATOM 229 CB LEU A 181 17.956 -23.146 15.551 1.00 0.00 C ATOM 230 CG LEU A 181 17.693 -24.647 15.222 1.00 0.00 C ATOM 231 CD1 LEU A 181 16.617 -25.212 16.157 1.00 0.00 C ATOM 232 CD2 LEU A 181 17.213 -24.799 13.772 1.00 0.00 C ATOM 0 H LEU A 181 18.384 -21.141 16.981 1.00 0.00 H new ATOM 0 HA LEU A 181 19.353 -23.830 17.051 1.00 0.00 H new ATOM 0 HB2 LEU A 181 17.114 -22.738 16.111 1.00 0.00 H new ATOM 0 HB3 LEU A 181 18.031 -22.573 14.627 1.00 0.00 H new ATOM 0 HG LEU A 181 18.626 -25.194 15.359 1.00 0.00 H new ATOM 0 HD11 LEU A 181 16.442 -26.261 15.918 1.00 0.00 H new ATOM 0 HD12 LEU A 181 16.952 -25.126 17.191 1.00 0.00 H new ATOM 0 HD13 LEU A 181 15.692 -24.651 16.028 1.00 0.00 H new ATOM 0 HD21 LEU A 181 17.033 -25.852 13.557 1.00 0.00 H new ATOM 0 HD22 LEU A 181 16.289 -24.238 13.634 1.00 0.00 H new ATOM 0 HD23 LEU A 181 17.975 -24.415 13.094 1.00 0.00 H new ATOM 244 N THR A 182 20.669 -21.840 14.765 1.00 0.00 N ATOM 245 CA THR A 182 21.808 -21.746 13.798 1.00 0.00 C ATOM 246 C THR A 182 23.132 -21.944 14.532 1.00 0.00 C ATOM 247 O THR A 182 24.000 -22.694 14.070 1.00 0.00 O ATOM 248 CB THR A 182 21.807 -20.367 13.123 1.00 0.00 C ATOM 249 OG1 THR A 182 21.373 -19.388 14.059 1.00 0.00 O ATOM 250 CG2 THR A 182 20.866 -20.371 11.912 1.00 0.00 C ATOM 0 H THR A 182 20.115 -20.989 14.863 1.00 0.00 H new ATOM 0 HA THR A 182 21.692 -22.523 13.042 1.00 0.00 H new ATOM 0 HB THR A 182 22.816 -20.133 12.784 1.00 0.00 H new ATOM 0 HG1 THR A 182 21.576 -19.692 14.968 1.00 0.00 H new ATOM 0 HG21 THR A 182 20.874 -19.388 11.442 1.00 0.00 H new ATOM 0 HG22 THR A 182 21.201 -21.119 11.194 1.00 0.00 H new ATOM 0 HG23 THR A 182 19.854 -20.609 12.239 1.00 0.00 H new ATOM 258 N ALA A 183 23.309 -21.269 15.642 1.00 0.00 N ATOM 259 CA ALA A 183 24.590 -21.372 16.411 1.00 0.00 C ATOM 260 C ALA A 183 24.725 -22.717 17.119 1.00 0.00 C ATOM 261 O ALA A 183 25.821 -23.291 17.146 1.00 0.00 O ATOM 262 CB ALA A 183 24.679 -20.236 17.432 1.00 0.00 C ATOM 0 H ALA A 183 22.614 -20.645 16.052 1.00 0.00 H new ATOM 0 HA ALA A 183 25.409 -21.291 15.697 1.00 0.00 H new ATOM 0 HB1 ALA A 183 25.613 -20.318 17.987 1.00 0.00 H new ATOM 0 HB2 ALA A 183 24.648 -19.278 16.914 1.00 0.00 H new ATOM 0 HB3 ALA A 183 23.839 -20.302 18.124 1.00 0.00 H new ATOM 268 N SER A 184 23.662 -23.227 17.697 1.00 0.00 N ATOM 269 CA SER A 184 23.744 -24.536 18.420 1.00 0.00 C ATOM 270 C SER A 184 24.218 -25.618 17.453 1.00 0.00 C ATOM 271 O SER A 184 25.051 -26.461 17.799 1.00 0.00 O ATOM 272 CB SER A 184 22.374 -24.908 18.988 1.00 0.00 C ATOM 273 OG SER A 184 21.520 -25.327 17.935 1.00 0.00 O ATOM 0 H SER A 184 22.740 -22.792 17.699 1.00 0.00 H new ATOM 0 HA SER A 184 24.452 -24.450 19.244 1.00 0.00 H new ATOM 0 HB2 SER A 184 22.479 -25.705 19.724 1.00 0.00 H new ATOM 0 HB3 SER A 184 21.939 -24.052 19.504 1.00 0.00 H new ATOM 0 HG SER A 184 21.518 -24.650 17.226 1.00 0.00 H new ATOM 279 N LEU A 185 23.687 -25.606 16.257 1.00 0.00 N ATOM 280 CA LEU A 185 24.056 -26.623 15.222 1.00 0.00 C ATOM 281 C LEU A 185 25.531 -26.500 14.826 1.00 0.00 C ATOM 282 O LEU A 185 26.211 -27.520 14.664 1.00 0.00 O ATOM 283 CB LEU A 185 23.163 -26.434 13.973 1.00 0.00 C ATOM 284 CG LEU A 185 21.848 -27.251 14.052 1.00 0.00 C ATOM 285 CD1 LEU A 185 22.152 -28.745 13.887 1.00 0.00 C ATOM 286 CD2 LEU A 185 21.084 -27.007 15.381 1.00 0.00 C ATOM 0 H LEU A 185 22.999 -24.920 15.947 1.00 0.00 H new ATOM 0 HA LEU A 185 23.900 -27.616 15.644 1.00 0.00 H new ATOM 0 HB2 LEU A 185 22.923 -25.377 13.859 1.00 0.00 H new ATOM 0 HB3 LEU A 185 23.719 -26.733 13.084 1.00 0.00 H new ATOM 0 HG LEU A 185 21.203 -26.914 13.241 1.00 0.00 H new ATOM 0 HD11 LEU A 185 21.224 -29.314 13.943 1.00 0.00 H new ATOM 0 HD12 LEU A 185 22.624 -28.916 12.919 1.00 0.00 H new ATOM 0 HD13 LEU A 185 22.825 -29.069 14.681 1.00 0.00 H new ATOM 0 HD21 LEU A 185 20.170 -27.601 15.390 1.00 0.00 H new ATOM 0 HD22 LEU A 185 21.714 -27.298 16.222 1.00 0.00 H new ATOM 0 HD23 LEU A 185 20.831 -25.950 15.466 1.00 0.00 H new ATOM 298 N THR A 186 26.031 -25.294 14.635 1.00 0.00 N ATOM 299 CA THR A 186 27.461 -25.124 14.209 1.00 0.00 C ATOM 300 C THR A 186 28.403 -25.453 15.360 1.00 0.00 C ATOM 301 O THR A 186 29.383 -26.182 15.174 1.00 0.00 O ATOM 302 CB THR A 186 27.708 -23.678 13.758 1.00 0.00 C ATOM 303 OG1 THR A 186 26.955 -22.795 14.579 1.00 0.00 O ATOM 304 CG2 THR A 186 27.289 -23.500 12.299 1.00 0.00 C ATOM 0 H THR A 186 25.511 -24.425 14.756 1.00 0.00 H new ATOM 0 HA THR A 186 27.653 -25.806 13.380 1.00 0.00 H new ATOM 0 HB THR A 186 28.771 -23.453 13.850 1.00 0.00 H new ATOM 0 HG1 THR A 186 27.112 -21.870 14.295 1.00 0.00 H new ATOM 0 HG21 THR A 186 27.469 -22.470 11.992 1.00 0.00 H new ATOM 0 HG22 THR A 186 27.870 -24.174 11.669 1.00 0.00 H new ATOM 0 HG23 THR A 186 26.229 -23.729 12.194 1.00 0.00 H new ATOM 312 N ILE A 187 28.136 -24.925 16.530 1.00 0.00 N ATOM 313 CA ILE A 187 29.024 -25.185 17.707 1.00 0.00 C ATOM 314 C ILE A 187 28.938 -26.665 18.080 1.00 0.00 C ATOM 315 O ILE A 187 29.967 -27.324 18.269 1.00 0.00 O ATOM 316 CB ILE A 187 28.607 -24.315 18.913 1.00 0.00 C ATOM 317 CG1 ILE A 187 28.599 -22.829 18.513 1.00 0.00 C ATOM 318 CG2 ILE A 187 29.599 -24.523 20.073 1.00 0.00 C ATOM 319 CD1 ILE A 187 27.819 -22.021 19.556 1.00 0.00 C ATOM 0 H ILE A 187 27.336 -24.321 16.721 1.00 0.00 H new ATOM 0 HA ILE A 187 30.049 -24.927 17.441 1.00 0.00 H new ATOM 0 HB ILE A 187 27.606 -24.609 19.230 1.00 0.00 H new ATOM 0 HG12 ILE A 187 29.621 -22.456 18.439 1.00 0.00 H new ATOM 0 HG13 ILE A 187 28.144 -22.709 17.530 1.00 0.00 H new ATOM 0 HG21 ILE A 187 29.301 -23.907 20.922 1.00 0.00 H new ATOM 0 HG22 ILE A 187 29.599 -25.572 20.368 1.00 0.00 H new ATOM 0 HG23 ILE A 187 30.600 -24.237 19.751 1.00 0.00 H new ATOM 0 HD11 ILE A 187 27.814 -20.969 19.272 1.00 0.00 H new ATOM 0 HD12 ILE A 187 26.794 -22.388 19.608 1.00 0.00 H new ATOM 0 HD13 ILE A 187 28.294 -22.131 20.531 1.00 0.00 H new ATOM 331 N TRP A 188 27.739 -27.187 18.203 1.00 0.00 N ATOM 332 CA TRP A 188 27.560 -28.622 18.582 1.00 0.00 C ATOM 333 C TRP A 188 28.223 -29.515 17.535 1.00 0.00 C ATOM 334 O TRP A 188 28.840 -30.530 17.876 1.00 0.00 O ATOM 335 CB TRP A 188 26.068 -28.955 18.684 1.00 0.00 C ATOM 336 CG TRP A 188 25.891 -30.292 19.332 1.00 0.00 C ATOM 337 CD1 TRP A 188 25.685 -30.493 20.654 1.00 0.00 C ATOM 338 CD2 TRP A 188 25.901 -31.612 18.714 1.00 0.00 C ATOM 339 NE1 TRP A 188 25.568 -31.852 20.887 1.00 0.00 N ATOM 340 CE2 TRP A 188 25.694 -32.583 19.722 1.00 0.00 C ATOM 341 CE3 TRP A 188 26.066 -32.057 17.390 1.00 0.00 C ATOM 342 CZ2 TRP A 188 25.654 -33.946 19.429 1.00 0.00 C ATOM 343 CZ3 TRP A 188 26.026 -33.429 17.091 1.00 0.00 C ATOM 344 CH2 TRP A 188 25.821 -34.372 18.108 1.00 0.00 C ATOM 0 H TRP A 188 26.870 -26.673 18.055 1.00 0.00 H new ATOM 0 HA TRP A 188 28.027 -28.797 19.551 1.00 0.00 H new ATOM 0 HB2 TRP A 188 25.554 -28.189 19.264 1.00 0.00 H new ATOM 0 HB3 TRP A 188 25.618 -28.959 17.691 1.00 0.00 H new ATOM 0 HD1 TRP A 188 25.622 -29.719 21.405 1.00 0.00 H new ATOM 0 HE1 TRP A 188 25.408 -32.263 21.807 1.00 0.00 H new ATOM 0 HE3 TRP A 188 26.224 -31.340 16.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 188 25.495 -34.667 20.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 188 26.154 -33.760 16.071 1.00 0.00 H new ATOM 0 HH2 TRP A 188 25.792 -35.425 17.871 1.00 0.00 H new ATOM 355 N LYS A 189 28.098 -29.164 16.274 1.00 0.00 N ATOM 356 CA LYS A 189 28.707 -29.987 15.176 1.00 0.00 C ATOM 357 C LYS A 189 30.231 -30.030 15.319 1.00 0.00 C ATOM 358 O LYS A 189 30.869 -30.970 14.832 1.00 0.00 O ATOM 359 CB LYS A 189 28.334 -29.395 13.806 1.00 0.00 C ATOM 360 CG LYS A 189 26.991 -29.965 13.331 1.00 0.00 C ATOM 361 CD LYS A 189 26.577 -29.286 12.024 1.00 0.00 C ATOM 362 CE LYS A 189 25.408 -30.052 11.399 1.00 0.00 C ATOM 363 NZ LYS A 189 24.938 -29.335 10.180 1.00 0.00 N ATOM 0 H LYS A 189 27.596 -28.335 15.956 1.00 0.00 H new ATOM 0 HA LYS A 189 28.318 -31.002 15.250 1.00 0.00 H new ATOM 0 HB2 LYS A 189 28.272 -28.309 13.875 1.00 0.00 H new ATOM 0 HB3 LYS A 189 29.113 -29.624 13.078 1.00 0.00 H new ATOM 0 HG2 LYS A 189 27.074 -31.042 13.183 1.00 0.00 H new ATOM 0 HG3 LYS A 189 26.228 -29.806 14.093 1.00 0.00 H new ATOM 0 HD2 LYS A 189 26.288 -28.252 12.214 1.00 0.00 H new ATOM 0 HD3 LYS A 189 27.419 -29.259 11.333 1.00 0.00 H new ATOM 0 HE2 LYS A 189 25.719 -31.064 11.141 1.00 0.00 H new ATOM 0 HE3 LYS A 189 24.593 -30.142 12.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 24.144 -29.855 9.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 24.625 -28.378 10.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 25.716 -29.271 9.493 1.00 0.00 H new ATOM 377 N LYS A 190 30.826 -29.042 15.957 1.00 0.00 N ATOM 378 CA LYS A 190 32.318 -29.029 16.114 1.00 0.00 C ATOM 379 C LYS A 190 32.742 -30.013 17.207 1.00 0.00 C ATOM 380 O LYS A 190 33.858 -30.541 17.166 1.00 0.00 O ATOM 381 CB LYS A 190 32.804 -27.615 16.463 1.00 0.00 C ATOM 382 CG LYS A 190 34.318 -27.506 16.211 1.00 0.00 C ATOM 383 CD LYS A 190 34.583 -27.324 14.713 1.00 0.00 C ATOM 384 CE LYS A 190 36.084 -27.423 14.439 1.00 0.00 C ATOM 385 NZ LYS A 190 36.309 -27.549 12.970 1.00 0.00 N ATOM 0 H LYS A 190 30.342 -28.247 16.374 1.00 0.00 H new ATOM 0 HA LYS A 190 32.770 -29.333 15.170 1.00 0.00 H new ATOM 0 HB2 LYS A 190 32.272 -26.879 15.860 1.00 0.00 H new ATOM 0 HB3 LYS A 190 32.583 -27.392 17.507 1.00 0.00 H new ATOM 0 HG2 LYS A 190 34.729 -26.663 16.767 1.00 0.00 H new ATOM 0 HG3 LYS A 190 34.822 -28.403 16.572 1.00 0.00 H new ATOM 0 HD2 LYS A 190 34.049 -28.085 14.144 1.00 0.00 H new ATOM 0 HD3 LYS A 190 34.206 -26.356 14.382 1.00 0.00 H new ATOM 0 HE2 LYS A 190 36.594 -26.540 14.822 1.00 0.00 H new ATOM 0 HE3 LYS A 190 36.504 -28.284 14.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 190 37.329 -27.617 12.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 190 35.834 -28.404 12.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 190 35.921 -26.714 12.487 1.00 0.00 H new ATOM 399 N MET A 191 31.880 -30.279 18.167 1.00 0.00 N ATOM 400 CA MET A 191 32.222 -31.247 19.263 1.00 0.00 C ATOM 401 C MET A 191 31.126 -32.317 19.349 1.00 0.00 C ATOM 402 O MET A 191 30.776 -32.786 20.440 1.00 0.00 O ATOM 403 CB MET A 191 32.371 -30.512 20.610 1.00 0.00 C ATOM 404 CG MET A 191 31.087 -29.744 20.944 1.00 0.00 C ATOM 405 SD MET A 191 31.284 -28.906 22.539 1.00 0.00 S ATOM 406 CE MET A 191 30.239 -27.474 22.180 1.00 0.00 C ATOM 0 H MET A 191 30.951 -29.864 18.237 1.00 0.00 H new ATOM 0 HA MET A 191 33.175 -31.725 19.038 1.00 0.00 H new ATOM 0 HB2 MET A 191 32.589 -31.230 21.401 1.00 0.00 H new ATOM 0 HB3 MET A 191 33.214 -29.822 20.564 1.00 0.00 H new ATOM 0 HG2 MET A 191 30.872 -29.016 20.162 1.00 0.00 H new ATOM 0 HG3 MET A 191 30.240 -30.429 20.983 1.00 0.00 H new ATOM 0 HE1 MET A 191 30.499 -26.656 22.852 1.00 0.00 H new ATOM 0 HE2 MET A 191 30.395 -27.159 21.148 1.00 0.00 H new ATOM 0 HE3 MET A 191 29.192 -27.743 22.323 1.00 0.00 H new ATOM 416 N GLY A 192 30.580 -32.708 18.216 1.00 0.00 N ATOM 417 CA GLY A 192 29.500 -33.744 18.199 1.00 0.00 C ATOM 418 C GLY A 192 29.976 -34.975 17.435 1.00 0.00 C ATOM 419 O GLY A 192 31.178 -35.141 17.306 1.00 0.00 O ATOM 420 OXT GLY A 192 29.131 -35.733 16.989 1.00 0.00 O ATOM 0 H GLY A 192 30.841 -32.349 17.298 1.00 0.00 H new ATOM 0 HA2 GLY A 192 29.232 -34.019 19.219 1.00 0.00 H new ATOM 0 HA3 GLY A 192 28.603 -33.339 17.731 1.00 0.00 H new TER 424 GLY A 192 ATOM 425 N GLY B 166 17.382 2.123 3.855 1.00 0.00 N ATOM 426 CA GLY B 166 17.488 3.425 4.573 1.00 0.00 C ATOM 427 C GLY B 166 18.080 3.198 5.959 1.00 0.00 C ATOM 428 O GLY B 166 19.257 2.849 6.088 1.00 0.00 O ATOM 0 HA2 GLY B 166 18.115 4.114 4.007 1.00 0.00 H new ATOM 0 HA3 GLY B 166 16.504 3.886 4.658 1.00 0.00 H new ATOM 434 N THR B 167 17.287 3.390 6.992 1.00 0.00 N ATOM 435 CA THR B 167 17.784 3.191 8.389 1.00 0.00 C ATOM 436 C THR B 167 16.911 2.127 9.091 1.00 0.00 C ATOM 437 O THR B 167 15.860 2.471 9.643 1.00 0.00 O ATOM 438 CB THR B 167 17.723 4.514 9.162 1.00 0.00 C ATOM 439 OG1 THR B 167 16.461 5.130 8.947 1.00 0.00 O ATOM 440 CG2 THR B 167 18.836 5.445 8.673 1.00 0.00 C ATOM 0 H THR B 167 16.311 3.678 6.922 1.00 0.00 H new ATOM 0 HA THR B 167 18.819 2.852 8.362 1.00 0.00 H new ATOM 0 HB THR B 167 17.856 4.319 10.226 1.00 0.00 H new ATOM 0 HG1 THR B 167 15.748 4.475 9.095 1.00 0.00 H new ATOM 0 HG21 THR B 167 18.792 6.385 9.223 1.00 0.00 H new ATOM 0 HG22 THR B 167 19.804 4.973 8.839 1.00 0.00 H new ATOM 0 HG23 THR B 167 18.705 5.641 7.609 1.00 0.00 H new ATOM 448 N PRO B 168 17.304 0.847 9.089 1.00 0.00 N ATOM 449 CA PRO B 168 16.503 -0.233 9.752 1.00 0.00 C ATOM 450 C PRO B 168 16.514 -0.103 11.273 1.00 0.00 C ATOM 451 O PRO B 168 17.404 0.541 11.840 1.00 0.00 O ATOM 452 CB PRO B 168 17.186 -1.531 9.310 1.00 0.00 C ATOM 453 CG PRO B 168 18.590 -1.148 8.991 1.00 0.00 C ATOM 454 CD PRO B 168 18.533 0.284 8.467 1.00 0.00 C ATOM 0 HA PRO B 168 15.451 -0.188 9.469 1.00 0.00 H new ATOM 0 HB2 PRO B 168 17.153 -2.281 10.100 1.00 0.00 H new ATOM 0 HB3 PRO B 168 16.688 -1.961 8.441 1.00 0.00 H new ATOM 0 HG2 PRO B 168 19.222 -1.213 9.877 1.00 0.00 H new ATOM 0 HG3 PRO B 168 19.016 -1.819 8.245 1.00 0.00 H new ATOM 0 HD2 PRO B 168 19.420 0.849 8.753 1.00 0.00 H new ATOM 0 HD3 PRO B 168 18.477 0.309 7.379 1.00 0.00 H new ATOM 462 N THR B 169 15.548 -0.701 11.936 1.00 0.00 N ATOM 463 CA THR B 169 15.483 -0.625 13.429 1.00 0.00 C ATOM 464 C THR B 169 16.527 -1.559 14.028 1.00 0.00 C ATOM 465 O THR B 169 17.059 -2.434 13.337 1.00 0.00 O ATOM 466 CB THR B 169 14.087 -1.022 13.923 1.00 0.00 C ATOM 467 OG1 THR B 169 13.679 -2.220 13.278 1.00 0.00 O ATOM 468 CG2 THR B 169 13.090 0.096 13.612 1.00 0.00 C ATOM 0 H THR B 169 14.799 -1.241 11.502 1.00 0.00 H new ATOM 0 HA THR B 169 15.685 0.399 13.742 1.00 0.00 H new ATOM 0 HB THR B 169 14.118 -1.183 15.001 1.00 0.00 H new ATOM 0 HG1 THR B 169 12.787 -2.475 13.595 1.00 0.00 H new ATOM 0 HG21 THR B 169 12.100 -0.191 13.965 1.00 0.00 H new ATOM 0 HG22 THR B 169 13.402 1.012 14.113 1.00 0.00 H new ATOM 0 HG23 THR B 169 13.057 0.265 12.536 1.00 0.00 H new ATOM 476 N TRP B 170 16.831 -1.384 15.294 1.00 0.00 N ATOM 477 CA TRP B 170 17.850 -2.251 15.973 1.00 0.00 C ATOM 478 C TRP B 170 17.171 -3.431 16.689 1.00 0.00 C ATOM 479 O TRP B 170 17.853 -4.349 17.153 1.00 0.00 O ATOM 480 CB TRP B 170 18.639 -1.427 16.994 1.00 0.00 C ATOM 481 CG TRP B 170 19.566 -0.490 16.285 1.00 0.00 C ATOM 482 CD1 TRP B 170 20.749 -0.843 15.731 1.00 0.00 C ATOM 483 CD2 TRP B 170 19.411 0.938 16.045 1.00 0.00 C ATOM 484 NE1 TRP B 170 21.330 0.278 15.167 1.00 0.00 N ATOM 485 CE2 TRP B 170 20.544 1.400 15.334 1.00 0.00 C ATOM 486 CE3 TRP B 170 18.408 1.869 16.370 1.00 0.00 C ATOM 487 CZ2 TRP B 170 20.678 2.738 14.959 1.00 0.00 C ATOM 488 CZ3 TRP B 170 18.539 3.217 15.995 1.00 0.00 C ATOM 489 CH2 TRP B 170 19.672 3.650 15.291 1.00 0.00 C ATOM 0 H TRP B 170 16.413 -0.671 15.891 1.00 0.00 H new ATOM 0 HA TRP B 170 18.527 -2.641 15.213 1.00 0.00 H new ATOM 0 HB2 TRP B 170 17.954 -0.864 17.628 1.00 0.00 H new ATOM 0 HB3 TRP B 170 19.207 -2.089 17.648 1.00 0.00 H new ATOM 0 HD1 TRP B 170 21.170 -1.837 15.730 1.00 0.00 H new ATOM 0 HE1 TRP B 170 22.230 0.276 14.686 1.00 0.00 H new ATOM 0 HE3 TRP B 170 17.531 1.546 16.911 1.00 0.00 H new ATOM 0 HZ2 TRP B 170 21.552 3.066 14.416 1.00 0.00 H new ATOM 0 HZ3 TRP B 170 17.763 3.923 16.250 1.00 0.00 H new ATOM 0 HH2 TRP B 170 19.767 4.687 15.006 1.00 0.00 H new ATOM 500 N GLN B 171 15.857 -3.423 16.799 1.00 0.00 N ATOM 501 CA GLN B 171 15.130 -4.532 17.495 1.00 0.00 C ATOM 502 C GLN B 171 15.390 -5.860 16.785 1.00 0.00 C ATOM 503 O GLN B 171 15.555 -6.894 17.439 1.00 0.00 O ATOM 504 CB GLN B 171 13.621 -4.237 17.501 1.00 0.00 C ATOM 505 CG GLN B 171 13.253 -3.301 18.666 1.00 0.00 C ATOM 506 CD GLN B 171 12.039 -2.458 18.292 1.00 0.00 C ATOM 507 OE1 GLN B 171 10.910 -2.950 18.302 1.00 0.00 O ATOM 508 NE2 GLN B 171 12.206 -1.206 17.964 1.00 0.00 N ATOM 0 H GLN B 171 15.256 -2.686 16.431 1.00 0.00 H new ATOM 0 HA GLN B 171 15.491 -4.602 18.521 1.00 0.00 H new ATOM 0 HB2 GLN B 171 13.331 -3.779 16.555 1.00 0.00 H new ATOM 0 HB3 GLN B 171 13.064 -5.170 17.588 1.00 0.00 H new ATOM 0 HG2 GLN B 171 13.038 -3.886 19.560 1.00 0.00 H new ATOM 0 HG3 GLN B 171 14.097 -2.653 18.904 1.00 0.00 H new ATOM 0 HE21 GLN B 171 13.142 -0.801 17.957 1.00 0.00 H new ATOM 0 HE22 GLN B 171 11.400 -0.632 17.715 1.00 0.00 H new ATOM 517 N THR B 172 15.403 -5.853 15.471 1.00 0.00 N ATOM 518 CA THR B 172 15.625 -7.120 14.697 1.00 0.00 C ATOM 519 C THR B 172 17.055 -7.635 14.893 1.00 0.00 C ATOM 520 O THR B 172 17.259 -8.826 15.150 1.00 0.00 O ATOM 521 CB THR B 172 15.344 -6.891 13.199 1.00 0.00 C ATOM 522 OG1 THR B 172 15.600 -8.093 12.486 1.00 0.00 O ATOM 523 CG2 THR B 172 16.235 -5.773 12.646 1.00 0.00 C ATOM 0 H THR B 172 15.269 -5.020 14.898 1.00 0.00 H new ATOM 0 HA THR B 172 14.933 -7.873 15.074 1.00 0.00 H new ATOM 0 HB THR B 172 14.301 -6.598 13.078 1.00 0.00 H new ATOM 0 HG1 THR B 172 15.421 -7.952 11.533 1.00 0.00 H new ATOM 0 HG21 THR B 172 16.021 -5.627 11.587 1.00 0.00 H new ATOM 0 HG22 THR B 172 16.036 -4.848 13.187 1.00 0.00 H new ATOM 0 HG23 THR B 172 17.283 -6.048 12.770 1.00 0.00 H new ATOM 531 N VAL B 173 18.041 -6.776 14.753 1.00 0.00 N ATOM 532 CA VAL B 173 19.466 -7.218 14.906 1.00 0.00 C ATOM 533 C VAL B 173 19.764 -7.600 16.358 1.00 0.00 C ATOM 534 O VAL B 173 20.485 -8.569 16.613 1.00 0.00 O ATOM 535 CB VAL B 173 20.434 -6.114 14.445 1.00 0.00 C ATOM 536 CG1 VAL B 173 20.215 -5.831 12.957 1.00 0.00 C ATOM 537 CG2 VAL B 173 20.196 -4.826 15.244 1.00 0.00 C ATOM 0 H VAL B 173 17.919 -5.786 14.539 1.00 0.00 H new ATOM 0 HA VAL B 173 19.612 -8.096 14.276 1.00 0.00 H new ATOM 0 HB VAL B 173 21.456 -6.453 14.613 1.00 0.00 H new ATOM 0 HG11 VAL B 173 20.901 -5.049 12.631 1.00 0.00 H new ATOM 0 HG12 VAL B 173 20.400 -6.739 12.383 1.00 0.00 H new ATOM 0 HG13 VAL B 173 19.188 -5.503 12.796 1.00 0.00 H new ATOM 0 HG21 VAL B 173 20.888 -4.055 14.906 1.00 0.00 H new ATOM 0 HG22 VAL B 173 19.172 -4.486 15.090 1.00 0.00 H new ATOM 0 HG23 VAL B 173 20.359 -5.020 16.304 1.00 0.00 H new ATOM 547 N THR B 174 19.253 -6.847 17.312 1.00 0.00 N ATOM 548 CA THR B 174 19.532 -7.143 18.754 1.00 0.00 C ATOM 549 C THR B 174 18.929 -8.487 19.163 1.00 0.00 C ATOM 550 O THR B 174 19.580 -9.262 19.870 1.00 0.00 O ATOM 551 CB THR B 174 18.955 -6.029 19.633 1.00 0.00 C ATOM 552 OG1 THR B 174 19.357 -4.770 19.113 1.00 0.00 O ATOM 553 CG2 THR B 174 19.463 -6.174 21.069 1.00 0.00 C ATOM 0 H THR B 174 18.653 -6.038 17.149 1.00 0.00 H new ATOM 0 HA THR B 174 20.612 -7.195 18.891 1.00 0.00 H new ATOM 0 HB THR B 174 17.867 -6.100 19.635 1.00 0.00 H new ATOM 0 HG1 THR B 174 18.641 -4.404 18.552 1.00 0.00 H new ATOM 0 HG21 THR B 174 19.046 -5.377 21.685 1.00 0.00 H new ATOM 0 HG22 THR B 174 19.154 -7.140 21.468 1.00 0.00 H new ATOM 0 HG23 THR B 174 20.551 -6.109 21.078 1.00 0.00 H new ATOM 561 N ILE B 175 17.709 -8.778 18.760 1.00 0.00 N ATOM 562 CA ILE B 175 17.076 -10.080 19.156 1.00 0.00 C ATOM 563 C ILE B 175 17.825 -11.254 18.502 1.00 0.00 C ATOM 564 O ILE B 175 18.135 -12.247 19.168 1.00 0.00 O ATOM 565 CB ILE B 175 15.552 -10.071 18.811 1.00 0.00 C ATOM 566 CG1 ILE B 175 14.782 -11.093 19.696 1.00 0.00 C ATOM 567 CG2 ILE B 175 15.285 -10.350 17.319 1.00 0.00 C ATOM 568 CD1 ILE B 175 15.258 -12.546 19.474 1.00 0.00 C ATOM 0 H ILE B 175 17.129 -8.173 18.178 1.00 0.00 H new ATOM 0 HA ILE B 175 17.155 -10.211 20.235 1.00 0.00 H new ATOM 0 HB ILE B 175 15.186 -9.066 19.024 1.00 0.00 H new ATOM 0 HG12 ILE B 175 14.910 -10.829 20.746 1.00 0.00 H new ATOM 0 HG13 ILE B 175 13.716 -11.026 19.478 1.00 0.00 H new ATOM 0 HG21 ILE B 175 14.211 -10.333 17.132 1.00 0.00 H new ATOM 0 HG22 ILE B 175 15.771 -9.585 16.713 1.00 0.00 H new ATOM 0 HG23 ILE B 175 15.683 -11.330 17.055 1.00 0.00 H new ATOM 0 HD11 ILE B 175 14.688 -13.218 20.116 1.00 0.00 H new ATOM 0 HD12 ILE B 175 15.105 -12.824 18.431 1.00 0.00 H new ATOM 0 HD13 ILE B 175 16.318 -12.623 19.718 1.00 0.00 H new ATOM 580 N PHE B 176 18.101 -11.161 17.218 1.00 0.00 N ATOM 581 CA PHE B 176 18.810 -12.270 16.500 1.00 0.00 C ATOM 582 C PHE B 176 20.249 -12.392 17.010 1.00 0.00 C ATOM 583 O PHE B 176 20.724 -13.496 17.301 1.00 0.00 O ATOM 584 CB PHE B 176 18.818 -11.976 14.988 1.00 0.00 C ATOM 585 CG PHE B 176 18.777 -13.268 14.185 1.00 0.00 C ATOM 586 CD1 PHE B 176 19.849 -14.171 14.242 1.00 0.00 C ATOM 587 CD2 PHE B 176 17.666 -13.556 13.381 1.00 0.00 C ATOM 588 CE1 PHE B 176 19.805 -15.357 13.499 1.00 0.00 C ATOM 589 CE2 PHE B 176 17.623 -14.742 12.640 1.00 0.00 C ATOM 590 CZ PHE B 176 18.692 -15.641 12.698 1.00 0.00 C ATOM 0 H PHE B 176 17.863 -10.358 16.635 1.00 0.00 H new ATOM 0 HA PHE B 176 18.289 -13.209 16.687 1.00 0.00 H new ATOM 0 HB2 PHE B 176 17.961 -11.355 14.729 1.00 0.00 H new ATOM 0 HB3 PHE B 176 19.712 -11.409 14.728 1.00 0.00 H new ATOM 0 HD1 PHE B 176 20.708 -13.952 14.859 1.00 0.00 H new ATOM 0 HD2 PHE B 176 16.841 -12.861 13.333 1.00 0.00 H new ATOM 0 HE1 PHE B 176 20.630 -16.053 13.544 1.00 0.00 H new ATOM 0 HE2 PHE B 176 16.764 -14.963 12.023 1.00 0.00 H new ATOM 0 HZ PHE B 176 18.659 -16.556 12.124 1.00 0.00 H new ATOM 600 N VAL B 177 20.949 -11.282 17.107 1.00 0.00 N ATOM 601 CA VAL B 177 22.374 -11.299 17.576 1.00 0.00 C ATOM 602 C VAL B 177 22.435 -11.710 19.053 1.00 0.00 C ATOM 603 O VAL B 177 23.331 -12.462 19.449 1.00 0.00 O ATOM 604 CB VAL B 177 23.019 -9.912 17.342 1.00 0.00 C ATOM 605 CG1 VAL B 177 24.472 -9.896 17.838 1.00 0.00 C ATOM 606 CG2 VAL B 177 23.006 -9.599 15.841 1.00 0.00 C ATOM 0 H VAL B 177 20.588 -10.356 16.878 1.00 0.00 H new ATOM 0 HA VAL B 177 22.940 -12.034 17.003 1.00 0.00 H new ATOM 0 HB VAL B 177 22.448 -9.165 17.895 1.00 0.00 H new ATOM 0 HG11 VAL B 177 24.905 -8.911 17.663 1.00 0.00 H new ATOM 0 HG12 VAL B 177 24.495 -10.118 18.905 1.00 0.00 H new ATOM 0 HG13 VAL B 177 25.049 -10.647 17.298 1.00 0.00 H new ATOM 0 HG21 VAL B 177 23.459 -8.623 15.669 1.00 0.00 H new ATOM 0 HG22 VAL B 177 23.572 -10.361 15.305 1.00 0.00 H new ATOM 0 HG23 VAL B 177 21.978 -9.590 15.480 1.00 0.00 H new ATOM 616 N ALA B 178 21.515 -11.236 19.866 1.00 0.00 N ATOM 617 CA ALA B 178 21.518 -11.599 21.323 1.00 0.00 C ATOM 618 C ALA B 178 21.298 -13.101 21.474 1.00 0.00 C ATOM 619 O ALA B 178 21.898 -13.729 22.352 1.00 0.00 O ATOM 620 CB ALA B 178 20.409 -10.843 22.058 1.00 0.00 C ATOM 0 H ALA B 178 20.760 -10.612 19.581 1.00 0.00 H new ATOM 0 HA ALA B 178 22.480 -11.324 21.755 1.00 0.00 H new ATOM 0 HB1 ALA B 178 20.421 -11.115 23.114 1.00 0.00 H new ATOM 0 HB2 ALA B 178 20.572 -9.770 21.958 1.00 0.00 H new ATOM 0 HB3 ALA B 178 19.443 -11.105 21.627 1.00 0.00 H new ATOM 626 N GLY B 179 20.464 -13.686 20.640 1.00 0.00 N ATOM 627 CA GLY B 179 20.208 -15.158 20.727 1.00 0.00 C ATOM 628 C GLY B 179 21.517 -15.897 20.469 1.00 0.00 C ATOM 629 O GLY B 179 21.846 -16.858 21.173 1.00 0.00 O ATOM 0 H GLY B 179 19.950 -13.203 19.903 1.00 0.00 H new ATOM 0 HA2 GLY B 179 19.816 -15.416 21.711 1.00 0.00 H new ATOM 0 HA3 GLY B 179 19.456 -15.455 19.996 1.00 0.00 H new ATOM 633 N VAL B 180 22.273 -15.460 19.482 1.00 0.00 N ATOM 634 CA VAL B 180 23.583 -16.115 19.164 1.00 0.00 C ATOM 635 C VAL B 180 24.574 -15.805 20.289 1.00 0.00 C ATOM 636 O VAL B 180 25.366 -16.665 20.687 1.00 0.00 O ATOM 637 CB VAL B 180 24.124 -15.597 17.814 1.00 0.00 C ATOM 638 CG1 VAL B 180 25.441 -16.301 17.459 1.00 0.00 C ATOM 639 CG2 VAL B 180 23.101 -15.875 16.706 1.00 0.00 C ATOM 0 H VAL B 180 22.034 -14.672 18.881 1.00 0.00 H new ATOM 0 HA VAL B 180 23.446 -17.193 19.084 1.00 0.00 H new ATOM 0 HB VAL B 180 24.299 -14.525 17.901 1.00 0.00 H new ATOM 0 HG11 VAL B 180 25.809 -15.925 16.505 1.00 0.00 H new ATOM 0 HG12 VAL B 180 26.180 -16.104 18.236 1.00 0.00 H new ATOM 0 HG13 VAL B 180 25.271 -17.375 17.384 1.00 0.00 H new ATOM 0 HG21 VAL B 180 23.486 -15.508 15.755 1.00 0.00 H new ATOM 0 HG22 VAL B 180 22.923 -16.948 16.636 1.00 0.00 H new ATOM 0 HG23 VAL B 180 22.165 -15.367 16.939 1.00 0.00 H new ATOM 649 N LEU B 181 24.551 -14.588 20.788 1.00 0.00 N ATOM 650 CA LEU B 181 25.491 -14.177 21.875 1.00 0.00 C ATOM 651 C LEU B 181 25.255 -15.016 23.126 1.00 0.00 C ATOM 652 O LEU B 181 26.208 -15.462 23.767 1.00 0.00 O ATOM 653 CB LEU B 181 25.263 -12.682 22.203 1.00 0.00 C ATOM 654 CG LEU B 181 26.355 -11.812 21.565 1.00 0.00 C ATOM 655 CD1 LEU B 181 25.915 -10.345 21.556 1.00 0.00 C ATOM 656 CD2 LEU B 181 27.629 -11.947 22.390 1.00 0.00 C ATOM 0 H LEU B 181 23.911 -13.856 20.481 1.00 0.00 H new ATOM 0 HA LEU B 181 26.516 -14.332 21.539 1.00 0.00 H new ATOM 0 HB2 LEU B 181 24.284 -12.370 21.839 1.00 0.00 H new ATOM 0 HB3 LEU B 181 25.262 -12.538 23.283 1.00 0.00 H new ATOM 0 HG LEU B 181 26.530 -12.138 20.540 1.00 0.00 H new ATOM 0 HD11 LEU B 181 26.695 -9.734 21.102 1.00 0.00 H new ATOM 0 HD12 LEU B 181 24.995 -10.245 20.981 1.00 0.00 H new ATOM 0 HD13 LEU B 181 25.742 -10.011 22.579 1.00 0.00 H new ATOM 0 HD21 LEU B 181 28.415 -11.334 21.949 1.00 0.00 H new ATOM 0 HD22 LEU B 181 27.439 -11.614 23.410 1.00 0.00 H new ATOM 0 HD23 LEU B 181 27.946 -12.990 22.402 1.00 0.00 H new ATOM 668 N THR B 182 24.018 -15.230 23.486 1.00 0.00 N ATOM 669 CA THR B 182 23.708 -16.036 24.709 1.00 0.00 C ATOM 670 C THR B 182 24.073 -17.497 24.472 1.00 0.00 C ATOM 671 O THR B 182 24.703 -18.131 25.323 1.00 0.00 O ATOM 672 CB THR B 182 22.213 -15.924 25.060 1.00 0.00 C ATOM 673 OG1 THR B 182 21.456 -15.742 23.872 1.00 0.00 O ATOM 674 CG2 THR B 182 21.979 -14.738 26.005 1.00 0.00 C ATOM 0 H THR B 182 23.202 -14.880 22.984 1.00 0.00 H new ATOM 0 HA THR B 182 24.295 -15.648 25.542 1.00 0.00 H new ATOM 0 HB THR B 182 21.897 -16.841 25.557 1.00 0.00 H new ATOM 0 HG1 THR B 182 21.473 -14.796 23.615 1.00 0.00 H new ATOM 0 HG21 THR B 182 20.918 -14.669 26.246 1.00 0.00 H new ATOM 0 HG22 THR B 182 22.551 -14.885 26.921 1.00 0.00 H new ATOM 0 HG23 THR B 182 22.302 -13.817 25.520 1.00 0.00 H new ATOM 682 N ALA B 183 23.676 -18.040 23.347 1.00 0.00 N ATOM 683 CA ALA B 183 23.969 -19.475 23.036 1.00 0.00 C ATOM 684 C ALA B 183 25.477 -19.715 22.975 1.00 0.00 C ATOM 685 O ALA B 183 25.964 -20.732 23.476 1.00 0.00 O ATOM 686 CB ALA B 183 23.339 -19.857 21.696 1.00 0.00 C ATOM 0 H ALA B 183 23.156 -17.545 22.623 1.00 0.00 H new ATOM 0 HA ALA B 183 23.545 -20.092 23.828 1.00 0.00 H new ATOM 0 HB1 ALA B 183 23.556 -20.902 21.477 1.00 0.00 H new ATOM 0 HB2 ALA B 183 22.260 -19.714 21.747 1.00 0.00 H new ATOM 0 HB3 ALA B 183 23.751 -19.227 20.907 1.00 0.00 H new ATOM 692 N SER B 184 26.220 -18.817 22.363 1.00 0.00 N ATOM 693 CA SER B 184 27.699 -19.000 22.249 1.00 0.00 C ATOM 694 C SER B 184 28.357 -18.858 23.617 1.00 0.00 C ATOM 695 O SER B 184 29.176 -19.695 24.011 1.00 0.00 O ATOM 696 CB SER B 184 28.281 -17.957 21.294 1.00 0.00 C ATOM 697 OG SER B 184 27.852 -18.242 19.968 1.00 0.00 O ATOM 0 H SER B 184 25.859 -17.963 21.937 1.00 0.00 H new ATOM 0 HA SER B 184 27.896 -19.999 21.860 1.00 0.00 H new ATOM 0 HB2 SER B 184 27.957 -16.958 21.587 1.00 0.00 H new ATOM 0 HB3 SER B 184 29.370 -17.967 21.346 1.00 0.00 H new ATOM 0 HG SER B 184 26.971 -17.841 19.816 1.00 0.00 H new ATOM 703 N LEU B 185 28.041 -17.800 24.324 1.00 0.00 N ATOM 704 CA LEU B 185 28.662 -17.546 25.663 1.00 0.00 C ATOM 705 C LEU B 185 28.277 -18.626 26.678 1.00 0.00 C ATOM 706 O LEU B 185 29.122 -19.049 27.473 1.00 0.00 O ATOM 707 CB LEU B 185 28.253 -16.156 26.186 1.00 0.00 C ATOM 708 CG LEU B 185 28.713 -15.067 25.205 1.00 0.00 C ATOM 709 CD1 LEU B 185 28.085 -13.728 25.596 1.00 0.00 C ATOM 710 CD2 LEU B 185 30.236 -14.938 25.242 1.00 0.00 C ATOM 0 H LEU B 185 27.370 -17.092 24.026 1.00 0.00 H new ATOM 0 HA LEU B 185 29.744 -17.578 25.537 1.00 0.00 H new ATOM 0 HB2 LEU B 185 27.171 -16.110 26.312 1.00 0.00 H new ATOM 0 HB3 LEU B 185 28.695 -15.983 27.167 1.00 0.00 H new ATOM 0 HG LEU B 185 28.399 -15.342 24.198 1.00 0.00 H new ATOM 0 HD11 LEU B 185 28.412 -12.956 24.900 1.00 0.00 H new ATOM 0 HD12 LEU B 185 26.999 -13.812 25.561 1.00 0.00 H new ATOM 0 HD13 LEU B 185 28.396 -13.461 26.606 1.00 0.00 H new ATOM 0 HD21 LEU B 185 30.553 -14.164 24.543 1.00 0.00 H new ATOM 0 HD22 LEU B 185 30.554 -14.670 26.249 1.00 0.00 H new ATOM 0 HD23 LEU B 185 30.689 -15.889 24.960 1.00 0.00 H new ATOM 722 N THR B 186 27.032 -19.058 26.692 1.00 0.00 N ATOM 723 CA THR B 186 26.594 -20.090 27.696 1.00 0.00 C ATOM 724 C THR B 186 27.248 -21.436 27.419 1.00 0.00 C ATOM 725 O THR B 186 27.751 -22.083 28.342 1.00 0.00 O ATOM 726 CB THR B 186 25.072 -20.265 27.664 1.00 0.00 C ATOM 727 OG1 THR B 186 24.632 -20.481 26.326 1.00 0.00 O ATOM 728 CG2 THR B 186 24.401 -19.019 28.235 1.00 0.00 C ATOM 0 H THR B 186 26.302 -18.741 26.053 1.00 0.00 H new ATOM 0 HA THR B 186 26.902 -19.736 28.680 1.00 0.00 H new ATOM 0 HB THR B 186 24.800 -21.130 28.268 1.00 0.00 H new ATOM 0 HG1 THR B 186 24.391 -19.623 25.918 1.00 0.00 H new ATOM 0 HG21 THR B 186 23.319 -19.145 28.211 1.00 0.00 H new ATOM 0 HG22 THR B 186 24.727 -18.870 29.265 1.00 0.00 H new ATOM 0 HG23 THR B 186 24.678 -18.150 27.638 1.00 0.00 H new ATOM 736 N ILE B 187 27.232 -21.879 26.187 1.00 0.00 N ATOM 737 CA ILE B 187 27.834 -23.205 25.847 1.00 0.00 C ATOM 738 C ILE B 187 29.334 -23.167 26.133 1.00 0.00 C ATOM 739 O ILE B 187 29.890 -24.121 26.691 1.00 0.00 O ATOM 740 CB ILE B 187 27.585 -23.551 24.365 1.00 0.00 C ATOM 741 CG1 ILE B 187 26.073 -23.541 24.067 1.00 0.00 C ATOM 742 CG2 ILE B 187 28.151 -24.946 24.047 1.00 0.00 C ATOM 743 CD1 ILE B 187 25.849 -23.411 22.558 1.00 0.00 C ATOM 0 H ILE B 187 26.826 -21.377 25.398 1.00 0.00 H new ATOM 0 HA ILE B 187 27.365 -23.975 26.460 1.00 0.00 H new ATOM 0 HB ILE B 187 28.084 -22.805 23.746 1.00 0.00 H new ATOM 0 HG12 ILE B 187 25.613 -24.458 24.436 1.00 0.00 H new ATOM 0 HG13 ILE B 187 25.594 -22.712 24.589 1.00 0.00 H new ATOM 0 HG21 ILE B 187 27.970 -25.182 22.998 1.00 0.00 H new ATOM 0 HG22 ILE B 187 29.223 -24.957 24.242 1.00 0.00 H new ATOM 0 HG23 ILE B 187 27.661 -25.689 24.675 1.00 0.00 H new ATOM 0 HD11 ILE B 187 24.779 -23.404 22.348 1.00 0.00 H new ATOM 0 HD12 ILE B 187 26.295 -22.482 22.203 1.00 0.00 H new ATOM 0 HD13 ILE B 187 26.313 -24.255 22.047 1.00 0.00 H new ATOM 755 N TRP B 188 29.996 -22.108 25.732 1.00 0.00 N ATOM 756 CA TRP B 188 31.473 -22.005 25.936 1.00 0.00 C ATOM 757 C TRP B 188 31.818 -22.022 27.428 1.00 0.00 C ATOM 758 O TRP B 188 32.758 -22.715 27.834 1.00 0.00 O ATOM 759 CB TRP B 188 31.997 -20.700 25.294 1.00 0.00 C ATOM 760 CG TRP B 188 32.489 -20.945 23.892 1.00 0.00 C ATOM 761 CD1 TRP B 188 31.752 -21.462 22.877 1.00 0.00 C ATOM 762 CD2 TRP B 188 33.812 -20.684 23.340 1.00 0.00 C ATOM 763 NE1 TRP B 188 32.544 -21.543 21.746 1.00 0.00 N ATOM 764 CE2 TRP B 188 33.821 -21.073 21.980 1.00 0.00 C ATOM 765 CE3 TRP B 188 34.996 -20.154 23.885 1.00 0.00 C ATOM 766 CZ2 TRP B 188 34.962 -20.942 21.188 1.00 0.00 C ATOM 767 CZ3 TRP B 188 36.147 -20.019 23.090 1.00 0.00 C ATOM 768 CH2 TRP B 188 36.129 -20.412 21.744 1.00 0.00 C ATOM 0 H TRP B 188 29.571 -21.305 25.268 1.00 0.00 H new ATOM 0 HA TRP B 188 31.949 -22.863 25.462 1.00 0.00 H new ATOM 0 HB2 TRP B 188 31.202 -19.954 25.279 1.00 0.00 H new ATOM 0 HB3 TRP B 188 32.806 -20.292 25.900 1.00 0.00 H new ATOM 0 HD1 TRP B 188 30.716 -21.761 22.942 1.00 0.00 H new ATOM 0 HE1 TRP B 188 32.224 -21.906 20.848 1.00 0.00 H new ATOM 0 HE3 TRP B 188 35.020 -19.849 24.921 1.00 0.00 H new ATOM 0 HZ2 TRP B 188 34.943 -21.248 20.152 1.00 0.00 H new ATOM 0 HZ3 TRP B 188 37.050 -19.610 23.518 1.00 0.00 H new ATOM 0 HH2 TRP B 188 37.016 -20.305 21.138 1.00 0.00 H new ATOM 779 N LYS B 189 31.106 -21.270 28.245 1.00 0.00 N ATOM 780 CA LYS B 189 31.425 -21.231 29.710 1.00 0.00 C ATOM 781 C LYS B 189 30.881 -22.475 30.424 1.00 0.00 C ATOM 782 O LYS B 189 31.460 -22.924 31.418 1.00 0.00 O ATOM 783 CB LYS B 189 30.882 -19.934 30.351 1.00 0.00 C ATOM 784 CG LYS B 189 29.345 -19.944 30.441 1.00 0.00 C ATOM 785 CD LYS B 189 28.859 -18.572 30.922 1.00 0.00 C ATOM 786 CE LYS B 189 27.396 -18.663 31.366 1.00 0.00 C ATOM 787 NZ LYS B 189 27.018 -17.425 32.109 1.00 0.00 N ATOM 0 H LYS B 189 30.321 -20.685 27.958 1.00 0.00 H new ATOM 0 HA LYS B 189 32.509 -21.234 29.824 1.00 0.00 H new ATOM 0 HB2 LYS B 189 31.304 -19.817 31.349 1.00 0.00 H new ATOM 0 HB3 LYS B 189 31.207 -19.075 29.765 1.00 0.00 H new ATOM 0 HG2 LYS B 189 28.913 -20.175 29.467 1.00 0.00 H new ATOM 0 HG3 LYS B 189 29.014 -20.722 31.129 1.00 0.00 H new ATOM 0 HD2 LYS B 189 29.478 -18.227 31.750 1.00 0.00 H new ATOM 0 HD3 LYS B 189 28.960 -17.839 30.121 1.00 0.00 H new ATOM 0 HE2 LYS B 189 26.750 -18.789 30.498 1.00 0.00 H new ATOM 0 HE3 LYS B 189 27.252 -19.538 32.000 1.00 0.00 H new ATOM 0 HZ1 LYS B 189 26.024 -17.490 32.409 1.00 0.00 H new ATOM 0 HZ2 LYS B 189 27.627 -17.323 32.946 1.00 0.00 H new ATOM 0 HZ3 LYS B 189 27.139 -16.598 31.490 1.00 0.00 H new ATOM 801 N LYS B 190 29.783 -23.023 29.949 1.00 0.00 N ATOM 802 CA LYS B 190 29.180 -24.231 30.602 1.00 0.00 C ATOM 803 C LYS B 190 29.934 -25.497 30.195 1.00 0.00 C ATOM 804 O LYS B 190 29.924 -26.485 30.938 1.00 0.00 O ATOM 805 CB LYS B 190 27.702 -24.363 30.213 1.00 0.00 C ATOM 806 CG LYS B 190 26.902 -23.189 30.793 1.00 0.00 C ATOM 807 CD LYS B 190 26.673 -23.401 32.295 1.00 0.00 C ATOM 808 CE LYS B 190 25.844 -22.242 32.857 1.00 0.00 C ATOM 809 NZ LYS B 190 24.423 -22.401 32.440 1.00 0.00 N ATOM 0 H LYS B 190 29.277 -22.682 29.132 1.00 0.00 H new ATOM 0 HA LYS B 190 29.257 -24.108 31.682 1.00 0.00 H new ATOM 0 HB2 LYS B 190 27.603 -24.381 29.128 1.00 0.00 H new ATOM 0 HB3 LYS B 190 27.302 -25.306 30.585 1.00 0.00 H new ATOM 0 HG2 LYS B 190 27.439 -22.255 30.627 1.00 0.00 H new ATOM 0 HG3 LYS B 190 25.944 -23.102 30.280 1.00 0.00 H new ATOM 0 HD2 LYS B 190 26.157 -24.346 32.465 1.00 0.00 H new ATOM 0 HD3 LYS B 190 27.630 -23.462 32.814 1.00 0.00 H new ATOM 0 HE2 LYS B 190 25.915 -22.223 33.945 1.00 0.00 H new ATOM 0 HE3 LYS B 190 26.236 -21.291 32.496 1.00 0.00 H new ATOM 0 HZ1 LYS B 190 23.827 -21.741 32.979 1.00 0.00 H new ATOM 0 HZ2 LYS B 190 24.334 -22.197 31.424 1.00 0.00 H new ATOM 0 HZ3 LYS B 190 24.114 -23.377 32.625 1.00 0.00 H new ATOM 823 N MET B 191 30.578 -25.499 29.044 1.00 0.00 N ATOM 824 CA MET B 191 31.329 -26.714 28.595 1.00 0.00 C ATOM 825 C MET B 191 32.825 -26.529 28.866 1.00 0.00 C ATOM 826 O MET B 191 33.673 -27.002 28.096 1.00 0.00 O ATOM 827 CB MET B 191 31.078 -26.966 27.101 1.00 0.00 C ATOM 828 CG MET B 191 29.636 -27.433 26.896 1.00 0.00 C ATOM 829 SD MET B 191 29.445 -28.073 25.214 1.00 0.00 S ATOM 830 CE MET B 191 27.654 -28.332 25.268 1.00 0.00 C ATOM 0 H MET B 191 30.613 -24.709 28.400 1.00 0.00 H new ATOM 0 HA MET B 191 30.977 -27.581 29.155 1.00 0.00 H new ATOM 0 HB2 MET B 191 31.260 -26.054 26.532 1.00 0.00 H new ATOM 0 HB3 MET B 191 31.772 -27.719 26.727 1.00 0.00 H new ATOM 0 HG2 MET B 191 29.386 -28.207 27.622 1.00 0.00 H new ATOM 0 HG3 MET B 191 28.947 -26.605 27.062 1.00 0.00 H new ATOM 0 HE1 MET B 191 27.217 -28.053 24.309 1.00 0.00 H new ATOM 0 HE2 MET B 191 27.444 -29.382 25.470 1.00 0.00 H new ATOM 0 HE3 MET B 191 27.221 -27.717 26.057 1.00 0.00 H new ATOM 840 N GLY B 192 33.168 -25.865 29.952 1.00 0.00 N ATOM 841 CA GLY B 192 34.609 -25.650 30.297 1.00 0.00 C ATOM 842 C GLY B 192 34.916 -24.156 30.326 1.00 0.00 C ATOM 843 O GLY B 192 34.594 -23.487 29.359 1.00 0.00 O ATOM 844 OXT GLY B 192 35.471 -23.706 31.315 1.00 0.00 O ATOM 0 H GLY B 192 32.505 -25.463 30.614 1.00 0.00 H new ATOM 0 HA2 GLY B 192 34.830 -26.095 31.267 1.00 0.00 H new ATOM 0 HA3 GLY B 192 35.246 -26.147 29.565 1.00 0.00 H new TER 848 GLY B 192