USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 150 SER OG : rot -116:sc= 1.27 USER MOD Set 1.2: A 169 HIS : no HD1:sc= 1.38 K(o=2.6,f=-11!) USER MOD Set 2.1: A 143 HIS : no HD1:sc= 0 X(o=-0.24,f=-0.25) USER MOD Set 2.2: A 171 MET CE :methyl 161:sc= -0.238 (180deg=-0.784) USER MOD Set 3.1: A 134 SER OG : rot -145:sc= 1.14 USER MOD Set 3.2: A 214 GLN : amide:sc= 0.128 K(o=1.3,f=-0.3!) USER MOD Single : A 108 THR OG1 : rot -13:sc= 0.0924 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HD1:sc= -0.253 K(o=-0.25,f=-4.9!) USER MOD Single : A 116 HIS : no HD1:sc= -0.514 X(o=-0.51,f=-0.36) USER MOD Single : A 118 SER OG : rot 180:sc=-0.00461 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 1.13 (180deg=1.13) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 88:sc= 1.2 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ -169:sc= -0.0103 (180deg=-0.124) USER MOD Single : A 132 HIS : no HE2:sc= 1.04 K(o=1,f=-5.4!) USER MOD Single : A 140 SER OG : rot 180:sc= 0.312 USER MOD Single : A 141 GLN : amide:sc= 0.0135 K(o=0.013,f=-1) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 153 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 THR OG1 : rot -110:sc= -0.743 USER MOD Single : A 174 CYS SG : rot 88:sc= 0.0846 USER MOD Single : A 175 GLN : amide:sc= -1.61 K(o=-1.6,f=-2.9) USER MOD Single : A 178 LYS NZ :NH3+ 160:sc= -0.0538 (180deg=-0.392) USER MOD Single : A 179 TYR OH : rot 150:sc= 0 USER MOD Single : A 189 SER OG : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot 180:sc= 0.0284 USER MOD Single : A 196 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 197 TYR OH : rot -126:sc= 1.34 USER MOD Single : A 198 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 ASN : amide:sc= 0.724 K(o=0.72,f=0) USER MOD Single : A 202 MET CE :methyl -178:sc= -4.23! (180deg=-4.27!) USER MOD Single : A 205 THR OG1 : rot -21:sc= 0.339 USER MOD Single : A 208 THR OG1 : rot 180:sc= 0 USER MOD Single : A 211 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 213 LYS NZ :NH3+ -163:sc= -0.172 (180deg=-0.524) USER MOD Single : A 217 ASN : amide:sc= -0.752 K(o=-0.75,f=0) USER MOD Single : A 218 THR OG1 : rot 47:sc= 0.0921 USER MOD Single : A 219 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ -125:sc= 1.2 (180deg=-0.477) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N PRO A 107 -15.225 4.601 3.249 1.00 0.00 N ATOM 64 CA PRO A 107 -14.772 3.811 4.392 1.00 0.00 C ATOM 65 C PRO A 107 -13.266 3.778 4.455 1.00 0.00 C ATOM 66 O PRO A 107 -12.669 3.350 5.438 1.00 0.00 O ATOM 67 CB PRO A 107 -15.327 2.414 4.121 1.00 0.00 C ATOM 68 CG PRO A 107 -15.573 2.345 2.649 1.00 0.00 C ATOM 69 CD PRO A 107 -15.685 3.757 2.132 1.00 0.00 C ATOM 0 HA PRO A 107 -15.110 4.222 5.344 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -14.620 1.646 4.434 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -16.248 2.246 4.679 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -14.759 1.819 2.150 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -16.487 1.789 2.440 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -15.069 3.904 1.245 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -16.711 3.996 1.851 1.00 0.00 H new ATOM 77 N THR A 108 -12.661 4.215 3.375 1.00 0.00 N ATOM 78 CA THR A 108 -11.233 4.332 3.310 1.00 0.00 C ATOM 79 C THR A 108 -10.811 5.780 3.512 1.00 0.00 C ATOM 80 O THR A 108 -9.640 6.101 3.389 1.00 0.00 O ATOM 81 CB THR A 108 -10.693 3.792 1.973 1.00 0.00 C ATOM 82 OG1 THR A 108 -9.269 3.915 1.922 1.00 0.00 O ATOM 83 CG2 THR A 108 -11.309 4.515 0.800 1.00 0.00 C ATOM 0 H THR A 108 -13.147 4.497 2.524 1.00 0.00 H new ATOM 0 HA THR A 108 -10.806 3.729 4.111 1.00 0.00 H new ATOM 0 HB THR A 108 -10.965 2.739 1.909 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.964 4.494 2.651 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.907 4.110 -0.129 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.390 4.380 0.817 1.00 0.00 H new ATOM 0 HG23 THR A 108 -11.075 5.578 0.864 1.00 0.00 H new ATOM 91 N SER A 109 -11.768 6.653 3.829 1.00 0.00 N ATOM 92 CA SER A 109 -11.474 8.069 4.047 1.00 0.00 C ATOM 93 C SER A 109 -10.720 8.251 5.367 1.00 0.00 C ATOM 94 O SER A 109 -11.216 8.854 6.320 1.00 0.00 O ATOM 95 CB SER A 109 -12.766 8.890 4.044 1.00 0.00 C ATOM 96 OG SER A 109 -12.500 10.279 3.944 1.00 0.00 O ATOM 0 H SER A 109 -12.751 6.405 3.940 1.00 0.00 H new ATOM 0 HA SER A 109 -10.842 8.427 3.234 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.394 8.578 3.210 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.327 8.691 4.957 1.00 0.00 H new ATOM 0 HG SER A 109 -13.345 10.775 3.943 1.00 0.00 H new ATOM 102 N GLU A 110 -9.516 7.710 5.393 1.00 0.00 N ATOM 103 CA GLU A 110 -8.674 7.687 6.568 1.00 0.00 C ATOM 104 C GLU A 110 -7.283 8.195 6.194 1.00 0.00 C ATOM 105 O GLU A 110 -6.967 8.352 5.015 1.00 0.00 O ATOM 106 CB GLU A 110 -8.596 6.255 7.108 1.00 0.00 C ATOM 107 CG GLU A 110 -9.919 5.706 7.641 1.00 0.00 C ATOM 108 CD GLU A 110 -10.393 6.446 8.875 1.00 0.00 C ATOM 109 OE1 GLU A 110 -11.442 7.120 8.806 1.00 0.00 O ATOM 110 OE2 GLU A 110 -9.714 6.359 9.921 1.00 0.00 O1- ATOM 0 H GLU A 110 -9.090 7.266 4.579 1.00 0.00 H new ATOM 0 HA GLU A 110 -9.091 8.331 7.343 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -8.239 5.600 6.314 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.855 6.221 7.907 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.679 5.777 6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.802 4.648 7.877 1.00 0.00 H new ATOM 117 N ARG A 111 -6.456 8.430 7.208 1.00 0.00 N ATOM 118 CA ARG A 111 -5.191 9.157 7.050 1.00 0.00 C ATOM 119 C ARG A 111 -4.167 8.440 6.168 1.00 0.00 C ATOM 120 O ARG A 111 -3.206 9.063 5.722 1.00 0.00 O ATOM 121 CB ARG A 111 -4.574 9.431 8.421 1.00 0.00 C ATOM 122 CG ARG A 111 -5.333 10.462 9.240 1.00 0.00 C ATOM 123 CD ARG A 111 -5.228 11.848 8.626 1.00 0.00 C ATOM 124 NE ARG A 111 -5.915 12.857 9.429 1.00 0.00 N ATOM 125 CZ ARG A 111 -5.364 14.011 9.813 1.00 0.00 C ATOM 126 NH1 ARG A 111 -4.110 14.301 9.487 1.00 0.00 N1+ ATOM 127 NH2 ARG A 111 -6.067 14.870 10.537 1.00 0.00 N ATOM 0 H ARG A 111 -6.639 8.124 8.164 1.00 0.00 H new ATOM 0 HA ARG A 111 -5.441 10.088 6.542 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -4.528 8.497 8.982 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -3.548 9.772 8.286 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -6.381 10.172 9.310 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.939 10.482 10.256 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -4.178 12.120 8.523 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -5.653 11.833 7.622 1.00 0.00 H new ATOM 0 HE ARG A 111 -6.876 12.668 9.714 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -3.560 13.640 8.939 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -3.697 15.185 9.785 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -7.027 14.649 10.800 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -5.648 15.752 10.831 1.00 0.00 H new ATOM 141 N TRP A 112 -4.349 7.148 5.933 1.00 0.00 N ATOM 142 CA TRP A 112 -3.418 6.393 5.095 1.00 0.00 C ATOM 143 C TRP A 112 -3.876 6.362 3.639 1.00 0.00 C ATOM 144 O TRP A 112 -3.118 5.992 2.749 1.00 0.00 O ATOM 145 CB TRP A 112 -3.229 4.968 5.630 1.00 0.00 C ATOM 146 CG TRP A 112 -4.419 4.432 6.366 1.00 0.00 C ATOM 147 CD1 TRP A 112 -4.571 4.343 7.720 1.00 0.00 C ATOM 148 CD2 TRP A 112 -5.623 3.920 5.793 1.00 0.00 C ATOM 149 NE1 TRP A 112 -5.796 3.806 8.020 1.00 0.00 N ATOM 150 CE2 TRP A 112 -6.462 3.539 6.854 1.00 0.00 C ATOM 151 CE3 TRP A 112 -6.070 3.748 4.485 1.00 0.00 C ATOM 152 CZ2 TRP A 112 -7.726 2.999 6.642 1.00 0.00 C ATOM 153 CZ3 TRP A 112 -7.324 3.212 4.277 1.00 0.00 C ATOM 154 CH2 TRP A 112 -8.140 2.844 5.348 1.00 0.00 C ATOM 0 H TRP A 112 -5.125 6.601 6.306 1.00 0.00 H new ATOM 0 HA TRP A 112 -2.456 6.905 5.133 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -3.001 4.305 4.796 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -2.365 4.952 6.295 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -3.834 4.650 8.448 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -6.153 3.633 8.960 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -5.446 4.029 3.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -8.358 2.712 7.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -7.681 3.075 3.267 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -9.117 2.429 5.151 1.00 0.00 H new ATOM 165 N PHE A 113 -5.116 6.751 3.405 1.00 0.00 N ATOM 166 CA PHE A 113 -5.658 6.831 2.060 1.00 0.00 C ATOM 167 C PHE A 113 -5.405 8.202 1.457 1.00 0.00 C ATOM 168 O PHE A 113 -5.864 9.221 1.975 1.00 0.00 O ATOM 169 CB PHE A 113 -7.153 6.531 2.097 1.00 0.00 C ATOM 170 CG PHE A 113 -7.911 6.849 0.834 1.00 0.00 C ATOM 171 CD1 PHE A 113 -7.576 6.262 -0.376 1.00 0.00 C ATOM 172 CD2 PHE A 113 -8.992 7.715 0.875 1.00 0.00 C ATOM 173 CE1 PHE A 113 -8.306 6.534 -1.517 1.00 0.00 C ATOM 174 CE2 PHE A 113 -9.720 7.995 -0.262 1.00 0.00 C ATOM 175 CZ PHE A 113 -9.379 7.403 -1.458 1.00 0.00 C ATOM 0 H PHE A 113 -5.773 7.019 4.137 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.159 6.093 1.432 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -7.288 5.474 2.324 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -7.598 7.093 2.918 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -6.736 5.585 -0.427 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -9.268 8.177 1.811 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -8.038 6.068 -2.454 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -10.556 8.677 -0.215 1.00 0.00 H new ATOM 0 HZ PHE A 113 -9.950 7.618 -2.349 1.00 0.00 H new ATOM 185 N HIS A 114 -4.665 8.220 0.368 1.00 0.00 N ATOM 186 CA HIS A 114 -4.383 9.455 -0.338 1.00 0.00 C ATOM 187 C HIS A 114 -5.136 9.448 -1.659 1.00 0.00 C ATOM 188 O HIS A 114 -4.918 8.557 -2.479 1.00 0.00 O ATOM 189 CB HIS A 114 -2.881 9.620 -0.593 1.00 0.00 C ATOM 190 CG HIS A 114 -2.024 9.634 0.643 1.00 0.00 C ATOM 191 ND1 HIS A 114 -1.016 10.554 0.847 1.00 0.00 N ATOM 192 CD2 HIS A 114 -1.987 8.802 1.711 1.00 0.00 C ATOM 193 CE1 HIS A 114 -0.395 10.280 1.981 1.00 0.00 C ATOM 194 NE2 HIS A 114 -0.967 9.225 2.524 1.00 0.00 N ATOM 0 H HIS A 114 -4.246 7.390 -0.050 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.709 10.294 0.277 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -2.546 8.809 -1.240 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -2.720 10.550 -1.139 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.640 7.961 1.889 1.00 0.00 H new ATOM 0 HE1 HIS A 114 0.440 10.828 2.393 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -0.695 8.792 3.407 1.00 0.00 H new ATOM 203 N GLY A 115 -6.026 10.421 -1.837 1.00 0.00 N ATOM 204 CA GLY A 115 -6.951 10.423 -2.963 1.00 0.00 C ATOM 205 C GLY A 115 -6.292 10.193 -4.310 1.00 0.00 C ATOM 206 O GLY A 115 -6.235 9.062 -4.798 1.00 0.00 O ATOM 0 H GLY A 115 -6.125 11.221 -1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -7.703 9.650 -2.802 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -7.475 11.378 -2.986 1.00 0.00 H new ATOM 210 N HIS A 116 -5.808 11.263 -4.923 1.00 0.00 N ATOM 211 CA HIS A 116 -5.209 11.153 -6.244 1.00 0.00 C ATOM 212 C HIS A 116 -3.686 11.134 -6.160 1.00 0.00 C ATOM 213 O HIS A 116 -3.044 12.145 -5.868 1.00 0.00 O ATOM 214 CB HIS A 116 -5.703 12.272 -7.182 1.00 0.00 C ATOM 215 CG HIS A 116 -5.248 13.659 -6.830 1.00 0.00 C ATOM 216 ND1 HIS A 116 -4.406 14.397 -7.633 1.00 0.00 N ATOM 217 CD2 HIS A 116 -5.530 14.446 -5.765 1.00 0.00 C ATOM 218 CE1 HIS A 116 -4.190 15.573 -7.076 1.00 0.00 C ATOM 219 NE2 HIS A 116 -4.862 15.629 -5.943 1.00 0.00 N ATOM 0 H HIS A 116 -5.818 12.205 -4.533 1.00 0.00 H new ATOM 0 HA HIS A 116 -5.529 10.203 -6.671 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -5.371 12.046 -8.195 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -6.793 12.258 -7.193 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -6.164 14.189 -4.930 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -3.568 16.358 -7.480 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -4.881 16.423 -5.303 1.00 0.00 H new ATOM 228 N LEU A 117 -3.117 9.967 -6.393 1.00 0.00 N ATOM 229 CA LEU A 117 -1.675 9.823 -6.457 1.00 0.00 C ATOM 230 C LEU A 117 -1.285 9.087 -7.721 1.00 0.00 C ATOM 231 O LEU A 117 -1.973 8.160 -8.149 1.00 0.00 O ATOM 232 CB LEU A 117 -1.128 9.065 -5.243 1.00 0.00 C ATOM 233 CG LEU A 117 -1.118 9.833 -3.917 1.00 0.00 C ATOM 234 CD1 LEU A 117 -0.464 8.993 -2.834 1.00 0.00 C ATOM 235 CD2 LEU A 117 -0.386 11.157 -4.062 1.00 0.00 C ATOM 0 H LEU A 117 -3.634 9.101 -6.542 1.00 0.00 H new ATOM 0 HA LEU A 117 -1.244 10.824 -6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -1.719 8.159 -5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -0.108 8.751 -5.465 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.150 10.042 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.462 9.547 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.022 8.065 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.562 8.763 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.393 11.683 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.644 10.972 -4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -0.883 11.767 -4.816 1.00 0.00 H new ATOM 247 N SER A 118 -0.201 9.523 -8.330 1.00 0.00 N ATOM 248 CA SER A 118 0.364 8.827 -9.465 1.00 0.00 C ATOM 249 C SER A 118 1.373 7.803 -8.955 1.00 0.00 C ATOM 250 O SER A 118 1.697 7.804 -7.763 1.00 0.00 O ATOM 251 CB SER A 118 1.026 9.825 -10.419 1.00 0.00 C ATOM 252 OG SER A 118 1.405 9.210 -11.637 1.00 0.00 O ATOM 0 H SER A 118 0.308 10.363 -8.054 1.00 0.00 H new ATOM 0 HA SER A 118 -0.421 8.312 -10.019 1.00 0.00 H new ATOM 0 HB2 SER A 118 0.338 10.645 -10.624 1.00 0.00 H new ATOM 0 HB3 SER A 118 1.904 10.258 -9.941 1.00 0.00 H new ATOM 0 HG SER A 118 1.823 9.875 -12.223 1.00 0.00 H new ATOM 258 N GLY A 119 1.867 6.944 -9.838 1.00 0.00 N ATOM 259 CA GLY A 119 2.777 5.889 -9.426 1.00 0.00 C ATOM 260 C GLY A 119 3.992 6.415 -8.689 1.00 0.00 C ATOM 261 O GLY A 119 4.276 5.993 -7.564 1.00 0.00 O ATOM 0 H GLY A 119 1.654 6.958 -10.835 1.00 0.00 H new ATOM 0 HA2 GLY A 119 2.245 5.187 -8.785 1.00 0.00 H new ATOM 0 HA3 GLY A 119 3.104 5.333 -10.305 1.00 0.00 H new ATOM 265 N LYS A 120 4.685 7.364 -9.303 1.00 0.00 N ATOM 266 CA LYS A 120 5.881 7.940 -8.705 1.00 0.00 C ATOM 267 C LYS A 120 5.541 8.930 -7.600 1.00 0.00 C ATOM 268 O LYS A 120 6.345 9.147 -6.704 1.00 0.00 O ATOM 269 CB LYS A 120 6.761 8.599 -9.767 1.00 0.00 C ATOM 270 CG LYS A 120 7.840 7.675 -10.310 1.00 0.00 C ATOM 271 CD LYS A 120 8.889 7.369 -9.248 1.00 0.00 C ATOM 272 CE LYS A 120 9.890 6.332 -9.725 1.00 0.00 C ATOM 273 NZ LYS A 120 9.267 4.995 -9.899 1.00 0.00 N1+ ATOM 0 H LYS A 120 4.440 7.751 -10.214 1.00 0.00 H new ATOM 0 HA LYS A 120 6.441 7.122 -8.252 1.00 0.00 H new ATOM 0 HB2 LYS A 120 6.133 8.937 -10.591 1.00 0.00 H new ATOM 0 HB3 LYS A 120 7.231 9.485 -9.341 1.00 0.00 H new ATOM 0 HG2 LYS A 120 7.387 6.746 -10.656 1.00 0.00 H new ATOM 0 HG3 LYS A 120 8.317 8.137 -11.174 1.00 0.00 H new ATOM 0 HD2 LYS A 120 9.415 8.286 -8.982 1.00 0.00 H new ATOM 0 HD3 LYS A 120 8.397 7.010 -8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 120 10.324 6.656 -10.671 1.00 0.00 H new ATOM 0 HE3 LYS A 120 10.707 6.260 -9.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 9.985 4.317 -10.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 8.875 4.674 -8.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 8.504 5.057 -10.603 1.00 0.00 H new ATOM 287 N GLU A 121 4.357 9.526 -7.658 1.00 0.00 N ATOM 288 CA GLU A 121 3.909 10.406 -6.583 1.00 0.00 C ATOM 289 C GLU A 121 3.719 9.613 -5.299 1.00 0.00 C ATOM 290 O GLU A 121 4.193 10.007 -4.238 1.00 0.00 O ATOM 291 CB GLU A 121 2.605 11.113 -6.956 1.00 0.00 C ATOM 292 CG GLU A 121 2.793 12.244 -7.949 1.00 0.00 C ATOM 293 CD GLU A 121 3.682 13.344 -7.407 1.00 0.00 C ATOM 294 OE1 GLU A 121 3.156 14.287 -6.782 1.00 0.00 O ATOM 295 OE2 GLU A 121 4.910 13.268 -7.596 1.00 0.00 O1- ATOM 0 H GLU A 121 3.696 9.419 -8.427 1.00 0.00 H new ATOM 0 HA GLU A 121 4.677 11.164 -6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 121 1.912 10.383 -7.375 1.00 0.00 H new ATOM 0 HB3 GLU A 121 2.143 11.508 -6.051 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.227 11.849 -8.868 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.820 12.661 -8.209 1.00 0.00 H new ATOM 302 N ALA A 122 3.045 8.477 -5.412 1.00 0.00 N ATOM 303 CA ALA A 122 2.826 7.599 -4.273 1.00 0.00 C ATOM 304 C ALA A 122 4.145 7.024 -3.783 1.00 0.00 C ATOM 305 O ALA A 122 4.338 6.795 -2.590 1.00 0.00 O ATOM 306 CB ALA A 122 1.870 6.483 -4.650 1.00 0.00 C ATOM 0 H ALA A 122 2.639 8.141 -6.286 1.00 0.00 H new ATOM 0 HA ALA A 122 2.383 8.181 -3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 122 1.713 5.832 -3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 122 0.916 6.910 -4.960 1.00 0.00 H new ATOM 0 HB3 ALA A 122 2.292 5.904 -5.471 1.00 0.00 H new ATOM 312 N GLU A 123 5.042 6.784 -4.725 1.00 0.00 N ATOM 313 CA GLU A 123 6.367 6.274 -4.422 1.00 0.00 C ATOM 314 C GLU A 123 7.172 7.334 -3.674 1.00 0.00 C ATOM 315 O GLU A 123 7.739 7.073 -2.615 1.00 0.00 O ATOM 316 CB GLU A 123 7.058 5.897 -5.731 1.00 0.00 C ATOM 317 CG GLU A 123 8.207 4.926 -5.571 1.00 0.00 C ATOM 318 CD GLU A 123 8.130 3.813 -6.589 1.00 0.00 C ATOM 319 OE1 GLU A 123 8.962 3.791 -7.521 1.00 0.00 O ATOM 320 OE2 GLU A 123 7.219 2.971 -6.475 1.00 0.00 O1- ATOM 0 H GLU A 123 4.872 6.937 -5.719 1.00 0.00 H new ATOM 0 HA GLU A 123 6.293 5.392 -3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.321 5.461 -6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 123 7.428 6.805 -6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 123 9.153 5.457 -5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 123 8.192 4.504 -4.566 1.00 0.00 H new ATOM 327 N LYS A 124 7.182 8.536 -4.231 1.00 0.00 N ATOM 328 CA LYS A 124 7.853 9.688 -3.637 1.00 0.00 C ATOM 329 C LYS A 124 7.327 9.955 -2.231 1.00 0.00 C ATOM 330 O LYS A 124 8.074 10.371 -1.341 1.00 0.00 O ATOM 331 CB LYS A 124 7.647 10.910 -4.536 1.00 0.00 C ATOM 332 CG LYS A 124 8.455 12.131 -4.138 1.00 0.00 C ATOM 333 CD LYS A 124 8.419 13.180 -5.236 1.00 0.00 C ATOM 334 CE LYS A 124 9.278 14.387 -4.899 1.00 0.00 C ATOM 335 NZ LYS A 124 9.420 15.302 -6.060 1.00 0.00 N1+ ATOM 0 H LYS A 124 6.721 8.743 -5.117 1.00 0.00 H new ATOM 0 HA LYS A 124 8.920 9.479 -3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 124 7.904 10.639 -5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 124 6.589 11.173 -4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 124 8.058 12.551 -3.214 1.00 0.00 H new ATOM 0 HG3 LYS A 124 9.487 11.841 -3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 124 8.765 12.738 -6.171 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.390 13.501 -5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 124 8.835 14.927 -4.062 1.00 0.00 H new ATOM 0 HE3 LYS A 124 10.264 14.053 -4.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 10.013 16.114 -5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 9.866 14.794 -6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 8.481 15.640 -6.352 1.00 0.00 H new ATOM 349 N LEU A 125 6.037 9.701 -2.040 1.00 0.00 N ATOM 350 CA LEU A 125 5.392 9.874 -0.745 1.00 0.00 C ATOM 351 C LEU A 125 6.100 9.032 0.316 1.00 0.00 C ATOM 352 O LEU A 125 6.511 9.536 1.359 1.00 0.00 O ATOM 353 CB LEU A 125 3.930 9.407 -0.855 1.00 0.00 C ATOM 354 CG LEU A 125 2.837 10.472 -0.753 1.00 0.00 C ATOM 355 CD1 LEU A 125 2.787 11.076 0.626 1.00 0.00 C ATOM 356 CD2 LEU A 125 3.028 11.541 -1.798 1.00 0.00 C ATOM 0 H LEU A 125 5.412 9.371 -2.775 1.00 0.00 H new ATOM 0 HA LEU A 125 5.440 10.924 -0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.812 8.895 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 125 3.753 8.668 -0.073 1.00 0.00 H new ATOM 0 HG LEU A 125 1.881 9.982 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 125 2.000 11.829 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 125 2.579 10.295 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 125 3.746 11.541 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.238 12.286 -1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.997 12.019 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 125 2.987 11.091 -2.790 1.00 0.00 H new ATOM 368 N LEU A 126 6.254 7.753 0.029 1.00 0.00 N ATOM 369 CA LEU A 126 6.873 6.818 0.960 1.00 0.00 C ATOM 370 C LEU A 126 8.388 6.957 1.020 1.00 0.00 C ATOM 371 O LEU A 126 8.966 7.079 2.101 1.00 0.00 O ATOM 372 CB LEU A 126 6.497 5.398 0.583 1.00 0.00 C ATOM 373 CG LEU A 126 5.013 5.092 0.707 1.00 0.00 C ATOM 374 CD1 LEU A 126 4.683 3.815 -0.029 1.00 0.00 C ATOM 375 CD2 LEU A 126 4.613 4.985 2.171 1.00 0.00 C ATOM 0 H LEU A 126 5.956 7.331 -0.851 1.00 0.00 H new ATOM 0 HA LEU A 126 6.495 7.057 1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 126 6.810 5.212 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 126 7.053 4.707 1.216 1.00 0.00 H new ATOM 0 HG LEU A 126 4.448 5.908 0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.618 3.605 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 126 4.938 3.926 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 126 5.255 2.991 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.548 4.766 2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.181 4.185 2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.824 5.928 2.676 1.00 0.00 H new ATOM 387 N THR A 127 9.023 6.921 -0.145 1.00 0.00 N ATOM 388 CA THR A 127 10.476 6.852 -0.234 1.00 0.00 C ATOM 389 C THR A 127 11.143 8.071 0.412 1.00 0.00 C ATOM 390 O THR A 127 12.209 7.955 1.016 1.00 0.00 O ATOM 391 CB THR A 127 10.927 6.718 -1.707 1.00 0.00 C ATOM 392 OG1 THR A 127 10.025 5.855 -2.405 1.00 0.00 O ATOM 393 CG2 THR A 127 12.326 6.128 -1.814 1.00 0.00 C ATOM 0 H THR A 127 8.550 6.939 -1.048 1.00 0.00 H new ATOM 0 HA THR A 127 10.792 5.966 0.317 1.00 0.00 H new ATOM 0 HB THR A 127 10.931 7.717 -2.143 1.00 0.00 H new ATOM 0 HG1 THR A 127 9.278 6.381 -2.759 1.00 0.00 H new ATOM 0 HG21 THR A 127 12.608 6.049 -2.864 1.00 0.00 H new ATOM 0 HG22 THR A 127 13.034 6.774 -1.295 1.00 0.00 H new ATOM 0 HG23 THR A 127 12.339 5.137 -1.359 1.00 0.00 H new ATOM 401 N GLU A 128 10.524 9.240 0.286 1.00 0.00 N ATOM 402 CA GLU A 128 11.083 10.445 0.886 1.00 0.00 C ATOM 403 C GLU A 128 10.450 10.784 2.238 1.00 0.00 C ATOM 404 O GLU A 128 11.161 11.069 3.201 1.00 0.00 O ATOM 405 CB GLU A 128 10.972 11.631 -0.068 1.00 0.00 C ATOM 406 CG GLU A 128 11.879 11.506 -1.280 1.00 0.00 C ATOM 407 CD GLU A 128 11.965 12.786 -2.078 1.00 0.00 C ATOM 408 OE1 GLU A 128 12.579 13.758 -1.590 1.00 0.00 O ATOM 409 OE2 GLU A 128 11.436 12.828 -3.202 1.00 0.00 O1- ATOM 0 H GLU A 128 9.648 9.378 -0.218 1.00 0.00 H new ATOM 0 HA GLU A 128 12.137 10.237 1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 128 9.939 11.725 -0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 128 11.218 12.547 0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 128 12.878 11.219 -0.953 1.00 0.00 H new ATOM 0 HG3 GLU A 128 11.512 10.706 -1.923 1.00 0.00 H new ATOM 416 N LYS A 129 9.124 10.743 2.325 1.00 0.00 N ATOM 417 CA LYS A 129 8.438 11.238 3.521 1.00 0.00 C ATOM 418 C LYS A 129 8.221 10.135 4.554 1.00 0.00 C ATOM 419 O LYS A 129 8.181 10.404 5.754 1.00 0.00 O ATOM 420 CB LYS A 129 7.090 11.868 3.155 1.00 0.00 C ATOM 421 CG LYS A 129 7.188 12.952 2.096 1.00 0.00 C ATOM 422 CD LYS A 129 5.847 13.628 1.866 1.00 0.00 C ATOM 423 CE LYS A 129 5.922 14.637 0.734 1.00 0.00 C ATOM 424 NZ LYS A 129 4.679 15.439 0.609 1.00 0.00 N1+ ATOM 0 H LYS A 129 8.509 10.379 1.597 1.00 0.00 H new ATOM 0 HA LYS A 129 9.084 11.996 3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 129 6.418 11.086 2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 129 6.641 12.291 4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 129 7.924 13.696 2.402 1.00 0.00 H new ATOM 0 HG3 LYS A 129 7.543 12.518 1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 129 5.093 12.875 1.635 1.00 0.00 H new ATOM 0 HD3 LYS A 129 5.528 14.128 2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 129 6.767 15.305 0.901 1.00 0.00 H new ATOM 0 HE3 LYS A 129 6.110 14.114 -0.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 4.778 16.113 -0.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 3.875 14.806 0.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 4.512 15.960 1.493 1.00 0.00 H new ATOM 438 N GLY A 130 8.095 8.900 4.096 1.00 0.00 N ATOM 439 CA GLY A 130 7.819 7.803 5.004 1.00 0.00 C ATOM 440 C GLY A 130 9.078 7.105 5.484 1.00 0.00 C ATOM 441 O GLY A 130 10.172 7.673 5.440 1.00 0.00 O ATOM 0 H GLY A 130 8.178 8.636 3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 130 7.268 8.180 5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 130 7.175 7.078 4.506 1.00 0.00 H new ATOM 445 N LYS A 131 8.920 5.871 5.944 1.00 0.00 N ATOM 446 CA LYS A 131 10.035 5.067 6.428 1.00 0.00 C ATOM 447 C LYS A 131 9.764 3.593 6.140 1.00 0.00 C ATOM 448 O LYS A 131 8.706 3.255 5.611 1.00 0.00 O ATOM 449 CB LYS A 131 10.253 5.281 7.931 1.00 0.00 C ATOM 450 CG LYS A 131 9.075 4.842 8.789 1.00 0.00 C ATOM 451 CD LYS A 131 9.335 5.058 10.273 1.00 0.00 C ATOM 452 CE LYS A 131 10.510 4.229 10.776 1.00 0.00 C ATOM 453 NZ LYS A 131 10.283 2.765 10.620 1.00 0.00 N1+ ATOM 0 H LYS A 131 8.017 5.399 5.992 1.00 0.00 H new ATOM 0 HA LYS A 131 10.941 5.378 5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 131 11.142 4.732 8.242 1.00 0.00 H new ATOM 0 HB3 LYS A 131 10.450 6.337 8.114 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.185 5.397 8.493 1.00 0.00 H new ATOM 0 HG3 LYS A 131 8.868 3.787 8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 131 9.533 6.114 10.456 1.00 0.00 H new ATOM 0 HD3 LYS A 131 8.440 4.798 10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 131 11.411 4.514 10.232 1.00 0.00 H new ATOM 0 HE3 LYS A 131 10.687 4.456 11.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 11.017 2.243 11.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 9.347 2.516 10.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 10.326 2.512 9.612 1.00 0.00 H new ATOM 467 N HIS A 132 10.725 2.730 6.447 1.00 0.00 N ATOM 468 CA HIS A 132 10.543 1.289 6.275 1.00 0.00 C ATOM 469 C HIS A 132 9.256 0.826 6.959 1.00 0.00 C ATOM 470 O HIS A 132 9.058 1.061 8.152 1.00 0.00 O ATOM 471 CB HIS A 132 11.745 0.526 6.850 1.00 0.00 C ATOM 472 CG HIS A 132 11.621 -0.967 6.768 1.00 0.00 C ATOM 473 ND1 HIS A 132 11.951 -1.685 5.644 1.00 0.00 N ATOM 474 CD2 HIS A 132 11.202 -1.876 7.679 1.00 0.00 C ATOM 475 CE1 HIS A 132 11.739 -2.967 5.862 1.00 0.00 C ATOM 476 NE2 HIS A 132 11.285 -3.114 7.091 1.00 0.00 N ATOM 0 H HIS A 132 11.637 2.999 6.816 1.00 0.00 H new ATOM 0 HA HIS A 132 10.468 1.078 5.208 1.00 0.00 H new ATOM 0 HB2 HIS A 132 12.645 0.834 6.318 1.00 0.00 H new ATOM 0 HB3 HIS A 132 11.877 0.812 7.894 1.00 0.00 H new ATOM 0 HD1 HIS A 132 12.306 -1.287 4.774 1.00 0.00 H new ATOM 0 HD2 HIS A 132 10.865 -1.666 8.683 1.00 0.00 H new ATOM 0 HE1 HIS A 132 11.909 -3.764 5.153 1.00 0.00 H new ATOM 485 N GLY A 133 8.379 0.189 6.193 1.00 0.00 N ATOM 486 CA GLY A 133 7.156 -0.344 6.761 1.00 0.00 C ATOM 487 C GLY A 133 5.975 0.597 6.628 1.00 0.00 C ATOM 488 O GLY A 133 4.861 0.258 7.024 1.00 0.00 O ATOM 0 H GLY A 133 8.492 0.032 5.191 1.00 0.00 H new ATOM 0 HA2 GLY A 133 6.917 -1.288 6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 133 7.319 -0.565 7.816 1.00 0.00 H new ATOM 492 N SER A 134 6.210 1.789 6.094 1.00 0.00 N ATOM 493 CA SER A 134 5.129 2.741 5.895 1.00 0.00 C ATOM 494 C SER A 134 4.252 2.308 4.731 1.00 0.00 C ATOM 495 O SER A 134 4.754 1.843 3.705 1.00 0.00 O ATOM 496 CB SER A 134 5.683 4.147 5.652 1.00 0.00 C ATOM 497 OG SER A 134 6.420 4.610 6.775 1.00 0.00 O ATOM 0 H SER A 134 7.129 2.115 5.795 1.00 0.00 H new ATOM 0 HA SER A 134 4.522 2.765 6.800 1.00 0.00 H new ATOM 0 HB2 SER A 134 6.324 4.141 4.770 1.00 0.00 H new ATOM 0 HB3 SER A 134 4.862 4.833 5.444 1.00 0.00 H new ATOM 0 HG SER A 134 6.290 5.576 6.876 1.00 0.00 H new ATOM 503 N PHE A 135 2.945 2.457 4.894 1.00 0.00 N ATOM 504 CA PHE A 135 2.003 2.054 3.865 1.00 0.00 C ATOM 505 C PHE A 135 0.917 3.104 3.689 1.00 0.00 C ATOM 506 O PHE A 135 0.566 3.814 4.635 1.00 0.00 O ATOM 507 CB PHE A 135 1.371 0.698 4.212 1.00 0.00 C ATOM 508 CG PHE A 135 0.491 0.705 5.435 1.00 0.00 C ATOM 509 CD1 PHE A 135 1.016 0.412 6.683 1.00 0.00 C ATOM 510 CD2 PHE A 135 -0.863 0.990 5.333 1.00 0.00 C ATOM 511 CE1 PHE A 135 0.210 0.404 7.804 1.00 0.00 C ATOM 512 CE2 PHE A 135 -1.672 0.987 6.452 1.00 0.00 C ATOM 513 CZ PHE A 135 -1.136 0.693 7.687 1.00 0.00 C ATOM 0 H PHE A 135 2.515 2.854 5.729 1.00 0.00 H new ATOM 0 HA PHE A 135 2.549 1.957 2.927 1.00 0.00 H new ATOM 0 HB2 PHE A 135 0.782 0.359 3.360 1.00 0.00 H new ATOM 0 HB3 PHE A 135 2.168 -0.031 4.359 1.00 0.00 H new ATOM 0 HD1 PHE A 135 2.068 0.187 6.780 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -1.289 1.217 4.367 1.00 0.00 H new ATOM 0 HE1 PHE A 135 0.631 0.172 8.771 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -2.724 1.215 6.359 1.00 0.00 H new ATOM 0 HZ PHE A 135 -1.768 0.688 8.563 1.00 0.00 H new ATOM 523 N LEU A 136 0.409 3.212 2.477 1.00 0.00 N ATOM 524 CA LEU A 136 -0.689 4.110 2.180 1.00 0.00 C ATOM 525 C LEU A 136 -1.498 3.535 1.026 1.00 0.00 C ATOM 526 O LEU A 136 -0.935 2.962 0.090 1.00 0.00 O ATOM 527 CB LEU A 136 -0.164 5.520 1.831 1.00 0.00 C ATOM 528 CG LEU A 136 0.405 5.712 0.415 1.00 0.00 C ATOM 529 CD1 LEU A 136 0.941 7.117 0.232 1.00 0.00 C ATOM 530 CD2 LEU A 136 1.519 4.743 0.127 1.00 0.00 C ATOM 0 H LEU A 136 0.745 2.682 1.673 1.00 0.00 H new ATOM 0 HA LEU A 136 -1.327 4.205 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -0.978 6.231 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 136 0.613 5.781 2.549 1.00 0.00 H new ATOM 0 HG LEU A 136 -0.418 5.532 -0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 136 1.337 7.227 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.137 7.836 0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.735 7.301 0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 136 1.895 4.910 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.326 4.893 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.144 3.723 0.210 1.00 0.00 H new ATOM 542 N VAL A 137 -2.808 3.648 1.094 1.00 0.00 N ATOM 543 CA VAL A 137 -3.626 3.211 -0.014 1.00 0.00 C ATOM 544 C VAL A 137 -4.026 4.417 -0.845 1.00 0.00 C ATOM 545 O VAL A 137 -4.225 5.515 -0.322 1.00 0.00 O ATOM 546 CB VAL A 137 -4.872 2.398 0.418 1.00 0.00 C ATOM 547 CG1 VAL A 137 -4.486 1.248 1.335 1.00 0.00 C ATOM 548 CG2 VAL A 137 -5.923 3.269 1.060 1.00 0.00 C ATOM 0 H VAL A 137 -3.320 4.031 1.889 1.00 0.00 H new ATOM 0 HA VAL A 137 -3.025 2.525 -0.611 1.00 0.00 H new ATOM 0 HB VAL A 137 -5.309 1.980 -0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -5.381 0.695 1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.799 0.581 0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -4.001 1.642 2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -6.778 2.656 1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -5.507 3.748 1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -6.245 4.033 0.352 1.00 0.00 H new ATOM 558 N ARG A 138 -4.093 4.217 -2.138 1.00 0.00 N ATOM 559 CA ARG A 138 -4.329 5.301 -3.068 1.00 0.00 C ATOM 560 C ARG A 138 -5.149 4.804 -4.239 1.00 0.00 C ATOM 561 O ARG A 138 -5.154 3.610 -4.529 1.00 0.00 O ATOM 562 CB ARG A 138 -2.993 5.839 -3.576 1.00 0.00 C ATOM 563 CG ARG A 138 -2.036 4.738 -4.010 1.00 0.00 C ATOM 564 CD ARG A 138 -1.071 5.218 -5.074 1.00 0.00 C ATOM 565 NE ARG A 138 -1.747 5.375 -6.363 1.00 0.00 N ATOM 566 CZ ARG A 138 -1.284 4.941 -7.539 1.00 0.00 C ATOM 567 NH1 ARG A 138 -0.101 4.353 -7.634 1.00 0.00 N1+ ATOM 568 NH2 ARG A 138 -2.013 5.104 -8.632 1.00 0.00 N ATOM 0 H ARG A 138 -3.986 3.303 -2.577 1.00 0.00 H new ATOM 0 HA ARG A 138 -4.873 6.096 -2.559 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -3.173 6.509 -4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -2.524 6.432 -2.791 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -1.476 4.382 -3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -2.606 3.891 -4.392 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -0.633 6.169 -4.771 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -0.251 4.507 -5.174 1.00 0.00 H new ATOM 0 HE ARG A 138 -2.647 5.856 -6.364 1.00 0.00 H new ATOM 0 HH11 ARG A 138 0.473 4.225 -6.801 1.00 0.00 H new ATOM 0 HH12 ARG A 138 0.236 4.028 -8.540 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -2.924 5.559 -8.574 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -1.664 4.774 -9.532 1.00 0.00 H new ATOM 582 N GLU A 139 -5.837 5.713 -4.905 1.00 0.00 N ATOM 583 CA GLU A 139 -6.584 5.358 -6.097 1.00 0.00 C ATOM 584 C GLU A 139 -5.620 5.037 -7.237 1.00 0.00 C ATOM 585 O GLU A 139 -4.659 5.776 -7.475 1.00 0.00 O ATOM 586 CB GLU A 139 -7.514 6.497 -6.507 1.00 0.00 C ATOM 587 CG GLU A 139 -8.620 6.778 -5.504 1.00 0.00 C ATOM 588 CD GLU A 139 -9.520 7.916 -5.940 1.00 0.00 C ATOM 589 OE1 GLU A 139 -9.884 8.756 -5.087 1.00 0.00 O ATOM 590 OE2 GLU A 139 -9.864 7.982 -7.138 1.00 0.00 O1- ATOM 0 H GLU A 139 -5.894 6.697 -4.643 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.189 4.478 -5.879 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -6.924 7.403 -6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -7.963 6.258 -7.471 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -9.219 5.878 -5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.178 7.018 -4.537 1.00 0.00 H new ATOM 597 N SER A 140 -5.863 3.929 -7.919 1.00 0.00 N ATOM 598 CA SER A 140 -5.018 3.519 -9.030 1.00 0.00 C ATOM 599 C SER A 140 -5.481 4.179 -10.319 1.00 0.00 C ATOM 600 O SER A 140 -6.680 4.364 -10.541 1.00 0.00 O ATOM 601 CB SER A 140 -5.040 1.996 -9.188 1.00 0.00 C ATOM 602 OG SER A 140 -4.184 1.574 -10.240 1.00 0.00 O ATOM 0 H SER A 140 -6.639 3.297 -7.723 1.00 0.00 H new ATOM 0 HA SER A 140 -3.997 3.835 -8.817 1.00 0.00 H new ATOM 0 HB2 SER A 140 -4.731 1.527 -8.254 1.00 0.00 H new ATOM 0 HB3 SER A 140 -6.058 1.664 -9.389 1.00 0.00 H new ATOM 0 HG SER A 140 -4.217 0.598 -10.317 1.00 0.00 H new ATOM 608 N GLN A 141 -4.528 4.538 -11.163 1.00 0.00 N ATOM 609 CA GLN A 141 -4.836 5.143 -12.443 1.00 0.00 C ATOM 610 C GLN A 141 -4.731 4.097 -13.543 1.00 0.00 C ATOM 611 O GLN A 141 -5.283 4.262 -14.629 1.00 0.00 O ATOM 612 CB GLN A 141 -3.902 6.322 -12.720 1.00 0.00 C ATOM 613 CG GLN A 141 -3.906 7.360 -11.607 1.00 0.00 C ATOM 614 CD GLN A 141 -3.214 8.650 -11.998 1.00 0.00 C ATOM 615 OE1 GLN A 141 -3.228 9.052 -13.162 1.00 0.00 O ATOM 616 NE2 GLN A 141 -2.602 9.309 -11.028 1.00 0.00 N ATOM 0 H GLN A 141 -3.531 4.419 -10.981 1.00 0.00 H new ATOM 0 HA GLN A 141 -5.857 5.525 -12.419 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -2.887 5.949 -12.858 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -4.196 6.799 -13.655 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -4.936 7.578 -11.325 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -3.416 6.943 -10.727 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -2.613 8.942 -10.076 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -2.119 10.184 -11.232 1.00 0.00 H new ATOM 625 N SER A 142 -4.012 3.018 -13.257 1.00 0.00 N ATOM 626 CA SER A 142 -3.970 1.874 -14.156 1.00 0.00 C ATOM 627 C SER A 142 -5.234 1.039 -13.988 1.00 0.00 C ATOM 628 O SER A 142 -5.702 0.396 -14.928 1.00 0.00 O ATOM 629 CB SER A 142 -2.728 1.024 -13.889 1.00 0.00 C ATOM 630 OG SER A 142 -1.544 1.768 -14.115 1.00 0.00 O ATOM 0 H SER A 142 -3.452 2.912 -12.411 1.00 0.00 H new ATOM 0 HA SER A 142 -3.918 2.236 -15.183 1.00 0.00 H new ATOM 0 HB2 SER A 142 -2.744 0.664 -12.860 1.00 0.00 H new ATOM 0 HB3 SER A 142 -2.739 0.146 -14.535 1.00 0.00 H new ATOM 0 HG SER A 142 -0.763 1.203 -13.936 1.00 0.00 H new ATOM 636 N HIS A 143 -5.778 1.049 -12.780 1.00 0.00 N ATOM 637 CA HIS A 143 -7.062 0.416 -12.510 1.00 0.00 C ATOM 638 C HIS A 143 -8.049 1.451 -11.985 1.00 0.00 C ATOM 639 O HIS A 143 -8.179 1.629 -10.774 1.00 0.00 O ATOM 640 CB HIS A 143 -6.919 -0.722 -11.493 1.00 0.00 C ATOM 641 CG HIS A 143 -6.347 -1.983 -12.057 1.00 0.00 C ATOM 642 ND1 HIS A 143 -7.088 -3.132 -12.227 1.00 0.00 N ATOM 643 CD2 HIS A 143 -5.094 -2.281 -12.476 1.00 0.00 C ATOM 644 CE1 HIS A 143 -6.318 -4.080 -12.723 1.00 0.00 C ATOM 645 NE2 HIS A 143 -5.103 -3.591 -12.885 1.00 0.00 N ATOM 0 H HIS A 143 -5.348 1.491 -11.967 1.00 0.00 H new ATOM 0 HA HIS A 143 -7.433 -0.006 -13.444 1.00 0.00 H new ATOM 0 HB2 HIS A 143 -6.285 -0.384 -10.674 1.00 0.00 H new ATOM 0 HB3 HIS A 143 -7.899 -0.939 -11.068 1.00 0.00 H new ATOM 0 HD2 HIS A 143 -4.246 -1.612 -12.486 1.00 0.00 H new ATOM 0 HE1 HIS A 143 -6.629 -5.087 -12.957 1.00 0.00 H new ATOM 0 HE2 HIS A 143 -4.302 -4.103 -13.254 1.00 0.00 H new ATOM 654 N PRO A 144 -8.745 2.163 -12.886 1.00 0.00 N ATOM 655 CA PRO A 144 -9.707 3.195 -12.492 1.00 0.00 C ATOM 656 C PRO A 144 -10.852 2.619 -11.663 1.00 0.00 C ATOM 657 O PRO A 144 -11.552 1.700 -12.098 1.00 0.00 O ATOM 658 CB PRO A 144 -10.225 3.747 -13.826 1.00 0.00 C ATOM 659 CG PRO A 144 -9.908 2.695 -14.834 1.00 0.00 C ATOM 660 CD PRO A 144 -8.658 2.019 -14.349 1.00 0.00 C ATOM 0 HA PRO A 144 -9.251 3.959 -11.862 1.00 0.00 H new ATOM 0 HB2 PRO A 144 -11.297 3.940 -13.782 1.00 0.00 H new ATOM 0 HB3 PRO A 144 -9.741 4.691 -14.076 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -10.727 1.982 -14.924 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -9.757 3.133 -15.821 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -8.624 0.972 -14.649 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -7.762 2.494 -14.748 1.00 0.00 H new ATOM 668 N GLY A 145 -11.032 3.159 -10.470 1.00 0.00 N ATOM 669 CA GLY A 145 -12.061 2.668 -9.580 1.00 0.00 C ATOM 670 C GLY A 145 -11.500 1.767 -8.500 1.00 0.00 C ATOM 671 O GLY A 145 -12.174 1.479 -7.511 1.00 0.00 O ATOM 0 H GLY A 145 -10.481 3.933 -10.100 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -12.572 3.512 -9.117 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -12.807 2.121 -10.156 1.00 0.00 H new ATOM 675 N ASP A 146 -10.267 1.317 -8.688 1.00 0.00 N ATOM 676 CA ASP A 146 -9.623 0.432 -7.724 1.00 0.00 C ATOM 677 C ASP A 146 -8.573 1.180 -6.920 1.00 0.00 C ATOM 678 O ASP A 146 -8.132 2.268 -7.301 1.00 0.00 O ATOM 679 CB ASP A 146 -8.977 -0.767 -8.420 1.00 0.00 C ATOM 680 CG ASP A 146 -9.986 -1.803 -8.874 1.00 0.00 C ATOM 681 OD1 ASP A 146 -10.534 -1.665 -9.987 1.00 0.00 O ATOM 682 OD2 ASP A 146 -10.222 -2.779 -8.128 1.00 0.00 O1- ATOM 0 H ASP A 146 -9.692 1.549 -9.498 1.00 0.00 H new ATOM 0 HA ASP A 146 -10.397 0.069 -7.048 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -8.410 -0.417 -9.283 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -8.265 -1.235 -7.740 1.00 0.00 H new ATOM 687 N PHE A 147 -8.165 0.580 -5.816 1.00 0.00 N ATOM 688 CA PHE A 147 -7.211 1.196 -4.913 1.00 0.00 C ATOM 689 C PHE A 147 -5.970 0.329 -4.810 1.00 0.00 C ATOM 690 O PHE A 147 -6.031 -0.876 -5.032 1.00 0.00 O ATOM 691 CB PHE A 147 -7.838 1.385 -3.529 1.00 0.00 C ATOM 692 CG PHE A 147 -9.092 2.211 -3.550 1.00 0.00 C ATOM 693 CD1 PHE A 147 -9.039 3.578 -3.349 1.00 0.00 C ATOM 694 CD2 PHE A 147 -10.325 1.619 -3.776 1.00 0.00 C ATOM 695 CE1 PHE A 147 -10.190 4.341 -3.373 1.00 0.00 C ATOM 696 CE2 PHE A 147 -11.480 2.376 -3.801 1.00 0.00 C ATOM 697 CZ PHE A 147 -11.411 3.739 -3.600 1.00 0.00 C ATOM 0 H PHE A 147 -8.484 -0.343 -5.522 1.00 0.00 H new ATOM 0 HA PHE A 147 -6.932 2.174 -5.305 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -8.063 0.407 -3.104 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -7.110 1.859 -2.870 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -8.086 4.055 -3.171 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -10.383 0.552 -3.935 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -10.135 5.408 -3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -12.434 1.902 -3.977 1.00 0.00 H new ATOM 0 HZ PHE A 147 -12.312 4.335 -3.620 1.00 0.00 H new ATOM 707 N VAL A 148 -4.842 0.938 -4.494 1.00 0.00 N ATOM 708 CA VAL A 148 -3.606 0.191 -4.349 1.00 0.00 C ATOM 709 C VAL A 148 -2.904 0.531 -3.048 1.00 0.00 C ATOM 710 O VAL A 148 -2.866 1.687 -2.622 1.00 0.00 O ATOM 711 CB VAL A 148 -2.642 0.424 -5.531 1.00 0.00 C ATOM 712 CG1 VAL A 148 -3.271 -0.034 -6.824 1.00 0.00 C ATOM 713 CG2 VAL A 148 -2.236 1.872 -5.648 1.00 0.00 C ATOM 0 H VAL A 148 -4.756 1.942 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 148 -3.885 -0.863 -4.339 1.00 0.00 H new ATOM 0 HB VAL A 148 -1.745 -0.163 -5.335 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -2.577 0.138 -7.647 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -3.502 -1.097 -6.760 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -4.189 0.526 -7.000 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -1.557 1.992 -6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -3.122 2.487 -5.804 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -1.735 2.184 -4.732 1.00 0.00 H new ATOM 723 N LEU A 149 -2.358 -0.492 -2.423 1.00 0.00 N ATOM 724 CA LEU A 149 -1.617 -0.340 -1.190 1.00 0.00 C ATOM 725 C LEU A 149 -0.147 -0.166 -1.509 1.00 0.00 C ATOM 726 O LEU A 149 0.504 -1.099 -1.945 1.00 0.00 O ATOM 727 CB LEU A 149 -1.794 -1.589 -0.331 1.00 0.00 C ATOM 728 CG LEU A 149 -1.161 -1.520 1.050 1.00 0.00 C ATOM 729 CD1 LEU A 149 -2.233 -1.475 2.120 1.00 0.00 C ATOM 730 CD2 LEU A 149 -0.245 -2.702 1.270 1.00 0.00 C ATOM 0 H LEU A 149 -2.416 -1.454 -2.757 1.00 0.00 H new ATOM 0 HA LEU A 149 -1.986 0.532 -0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -2.860 -1.783 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -1.372 -2.440 -0.865 1.00 0.00 H new ATOM 0 HG LEU A 149 -0.569 -0.607 1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -1.764 -1.426 3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -2.858 -0.595 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -2.849 -2.372 2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 149 0.200 -2.638 2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -0.817 -3.626 1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 149 0.544 -2.696 0.518 1.00 0.00 H new ATOM 742 N SER A 150 0.389 1.007 -1.294 1.00 0.00 N ATOM 743 CA SER A 150 1.786 1.220 -1.591 1.00 0.00 C ATOM 744 C SER A 150 2.580 1.207 -0.291 1.00 0.00 C ATOM 745 O SER A 150 2.190 1.841 0.687 1.00 0.00 O ATOM 746 CB SER A 150 1.966 2.522 -2.368 1.00 0.00 C ATOM 747 OG SER A 150 0.906 2.702 -3.300 1.00 0.00 O ATOM 0 H SER A 150 -0.107 1.817 -0.922 1.00 0.00 H new ATOM 0 HA SER A 150 2.164 0.418 -2.225 1.00 0.00 H new ATOM 0 HB2 SER A 150 1.995 3.363 -1.676 1.00 0.00 H new ATOM 0 HB3 SER A 150 2.921 2.509 -2.894 1.00 0.00 H new ATOM 0 HG SER A 150 1.267 2.695 -4.211 1.00 0.00 H new ATOM 753 N VAL A 151 3.662 0.447 -0.272 1.00 0.00 N ATOM 754 CA VAL A 151 4.425 0.237 0.947 1.00 0.00 C ATOM 755 C VAL A 151 5.914 0.439 0.705 1.00 0.00 C ATOM 756 O VAL A 151 6.418 0.151 -0.382 1.00 0.00 O ATOM 757 CB VAL A 151 4.194 -1.185 1.494 1.00 0.00 C ATOM 758 CG1 VAL A 151 2.742 -1.392 1.852 1.00 0.00 C ATOM 759 CG2 VAL A 151 4.630 -2.230 0.493 1.00 0.00 C ATOM 0 H VAL A 151 4.033 -0.036 -1.090 1.00 0.00 H new ATOM 0 HA VAL A 151 4.081 0.970 1.677 1.00 0.00 H new ATOM 0 HB VAL A 151 4.798 -1.294 2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 151 2.602 -2.403 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 151 2.449 -0.670 2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 151 2.125 -1.253 0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 151 4.456 -3.224 0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 151 4.058 -2.113 -0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 151 5.692 -2.107 0.278 1.00 0.00 H new ATOM 769 N ARG A 152 6.616 0.942 1.710 1.00 0.00 N ATOM 770 CA ARG A 152 8.056 1.097 1.608 1.00 0.00 C ATOM 771 C ARG A 152 8.752 -0.159 2.118 1.00 0.00 C ATOM 772 O ARG A 152 8.835 -0.402 3.327 1.00 0.00 O ATOM 773 CB ARG A 152 8.536 2.330 2.379 1.00 0.00 C ATOM 774 CG ARG A 152 10.014 2.627 2.174 1.00 0.00 C ATOM 775 CD ARG A 152 10.421 3.945 2.811 1.00 0.00 C ATOM 776 NE ARG A 152 11.848 4.215 2.635 1.00 0.00 N ATOM 777 CZ ARG A 152 12.441 5.367 2.948 1.00 0.00 C ATOM 778 NH1 ARG A 152 11.743 6.366 3.467 1.00 0.00 N1+ ATOM 779 NH2 ARG A 152 13.736 5.522 2.734 1.00 0.00 N ATOM 0 H ARG A 152 6.215 1.247 2.597 1.00 0.00 H new ATOM 0 HA ARG A 152 8.312 1.242 0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 152 7.951 3.196 2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 152 8.346 2.183 3.442 1.00 0.00 H new ATOM 0 HG2 ARG A 152 10.609 1.819 2.600 1.00 0.00 H new ATOM 0 HG3 ARG A 152 10.234 2.656 1.107 1.00 0.00 H new ATOM 0 HD2 ARG A 152 9.841 4.756 2.371 1.00 0.00 H new ATOM 0 HD3 ARG A 152 10.183 3.923 3.875 1.00 0.00 H new ATOM 0 HE ARG A 152 12.428 3.472 2.247 1.00 0.00 H new ATOM 0 HH11 ARG A 152 10.742 6.258 3.631 1.00 0.00 H new ATOM 0 HH12 ARG A 152 12.206 7.243 3.703 1.00 0.00 H new ATOM 0 HH21 ARG A 152 14.281 4.760 2.330 1.00 0.00 H new ATOM 0 HH22 ARG A 152 14.191 6.403 2.973 1.00 0.00 H new ATOM 793 N THR A 153 9.249 -0.942 1.180 1.00 0.00 N ATOM 794 CA THR A 153 9.912 -2.199 1.469 1.00 0.00 C ATOM 795 C THR A 153 11.421 -2.037 1.371 1.00 0.00 C ATOM 796 O THR A 153 11.914 -1.236 0.578 1.00 0.00 O ATOM 797 CB THR A 153 9.440 -3.288 0.493 1.00 0.00 C ATOM 798 OG1 THR A 153 9.394 -2.759 -0.840 1.00 0.00 O ATOM 799 CG2 THR A 153 8.067 -3.793 0.896 1.00 0.00 C ATOM 0 H THR A 153 9.203 -0.721 0.185 1.00 0.00 H new ATOM 0 HA THR A 153 9.654 -2.498 2.485 1.00 0.00 H new ATOM 0 HB THR A 153 10.144 -4.120 0.525 1.00 0.00 H new ATOM 0 HG1 THR A 153 9.094 -3.457 -1.459 1.00 0.00 H new ATOM 0 HG21 THR A 153 7.743 -4.564 0.197 1.00 0.00 H new ATOM 0 HG22 THR A 153 8.114 -4.211 1.901 1.00 0.00 H new ATOM 0 HG23 THR A 153 7.356 -2.967 0.879 1.00 0.00 H new ATOM 807 N GLY A 154 12.151 -2.778 2.183 1.00 0.00 N ATOM 808 CA GLY A 154 13.592 -2.647 2.188 1.00 0.00 C ATOM 809 C GLY A 154 14.047 -1.491 3.051 1.00 0.00 C ATOM 810 O GLY A 154 13.226 -0.722 3.557 1.00 0.00 O ATOM 0 H GLY A 154 11.776 -3.465 2.837 1.00 0.00 H new ATOM 0 HA2 GLY A 154 14.040 -3.571 2.553 1.00 0.00 H new ATOM 0 HA3 GLY A 154 13.947 -2.501 1.168 1.00 0.00 H new ATOM 959 N LYS A 166 12.841 0.769 -1.698 1.00 0.00 N ATOM 960 CA LYS A 166 11.836 0.154 -2.540 1.00 0.00 C ATOM 961 C LYS A 166 10.433 0.501 -2.088 1.00 0.00 C ATOM 962 O LYS A 166 10.142 0.539 -0.895 1.00 0.00 O ATOM 963 CB LYS A 166 12.000 -1.365 -2.549 1.00 0.00 C ATOM 964 CG LYS A 166 13.052 -1.855 -3.520 1.00 0.00 C ATOM 965 CD LYS A 166 12.722 -1.430 -4.939 1.00 0.00 C ATOM 966 CE LYS A 166 11.404 -2.021 -5.420 1.00 0.00 C ATOM 967 NZ LYS A 166 11.066 -1.562 -6.791 1.00 0.00 N1+ ATOM 0 HA LYS A 166 11.980 0.546 -3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 166 12.260 -1.700 -1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 166 11.044 -1.824 -2.800 1.00 0.00 H new ATOM 0 HG2 LYS A 166 14.027 -1.459 -3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 166 13.121 -2.942 -3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 166 12.671 -0.342 -4.989 1.00 0.00 H new ATOM 0 HD3 LYS A 166 13.525 -1.743 -5.607 1.00 0.00 H new ATOM 0 HE2 LYS A 166 11.466 -3.109 -5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 166 10.606 -1.738 -4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 10.162 -1.984 -7.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 10.983 -0.525 -6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 11.816 -1.854 -7.450 1.00 0.00 H new ATOM 981 N VAL A 167 9.570 0.763 -3.051 1.00 0.00 N ATOM 982 CA VAL A 167 8.157 0.913 -2.781 1.00 0.00 C ATOM 983 C VAL A 167 7.364 -0.029 -3.667 1.00 0.00 C ATOM 984 O VAL A 167 7.347 0.110 -4.891 1.00 0.00 O ATOM 985 CB VAL A 167 7.670 2.360 -2.999 1.00 0.00 C ATOM 986 CG1 VAL A 167 6.157 2.443 -2.903 1.00 0.00 C ATOM 987 CG2 VAL A 167 8.298 3.295 -1.985 1.00 0.00 C ATOM 0 H VAL A 167 9.827 0.876 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 167 7.998 0.667 -1.731 1.00 0.00 H new ATOM 0 HB VAL A 167 7.975 2.665 -4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 167 5.838 3.473 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 167 5.709 1.804 -3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 167 5.836 2.111 -1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 167 7.941 4.311 -2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 167 8.023 2.979 -0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 167 9.383 3.269 -2.089 1.00 0.00 H new ATOM 997 N THR A 168 6.731 -0.999 -3.046 1.00 0.00 N ATOM 998 CA THR A 168 5.871 -1.911 -3.745 1.00 0.00 C ATOM 999 C THR A 168 4.426 -1.470 -3.603 1.00 0.00 C ATOM 1000 O THR A 168 3.998 -1.032 -2.536 1.00 0.00 O ATOM 1001 CB THR A 168 6.049 -3.357 -3.243 1.00 0.00 C ATOM 1002 OG1 THR A 168 7.197 -3.951 -3.858 1.00 0.00 O ATOM 1003 CG2 THR A 168 4.813 -4.198 -3.523 1.00 0.00 C ATOM 0 H THR A 168 6.802 -1.173 -2.043 1.00 0.00 H new ATOM 0 HA THR A 168 6.147 -1.897 -4.799 1.00 0.00 H new ATOM 0 HB THR A 168 6.194 -3.323 -2.163 1.00 0.00 H new ATOM 0 HG1 THR A 168 6.909 -4.643 -4.489 1.00 0.00 H new ATOM 0 HG21 THR A 168 4.972 -5.212 -3.156 1.00 0.00 H new ATOM 0 HG22 THR A 168 3.953 -3.760 -3.017 1.00 0.00 H new ATOM 0 HG23 THR A 168 4.627 -4.225 -4.597 1.00 0.00 H new ATOM 1011 N HIS A 169 3.686 -1.554 -4.688 1.00 0.00 N ATOM 1012 CA HIS A 169 2.294 -1.162 -4.681 1.00 0.00 C ATOM 1013 C HIS A 169 1.433 -2.401 -4.885 1.00 0.00 C ATOM 1014 O HIS A 169 1.530 -3.052 -5.911 1.00 0.00 O ATOM 1015 CB HIS A 169 2.033 -0.124 -5.780 1.00 0.00 C ATOM 1016 CG HIS A 169 3.006 1.028 -5.786 1.00 0.00 C ATOM 1017 ND1 HIS A 169 2.657 2.319 -5.450 1.00 0.00 N ATOM 1018 CD2 HIS A 169 4.319 1.076 -6.119 1.00 0.00 C ATOM 1019 CE1 HIS A 169 3.712 3.108 -5.585 1.00 0.00 C ATOM 1020 NE2 HIS A 169 4.729 2.374 -5.987 1.00 0.00 N ATOM 0 H HIS A 169 4.027 -1.891 -5.588 1.00 0.00 H new ATOM 0 HA HIS A 169 2.040 -0.705 -3.724 1.00 0.00 H new ATOM 0 HB2 HIS A 169 2.070 -0.621 -6.749 1.00 0.00 H new ATOM 0 HB3 HIS A 169 1.023 0.269 -5.661 1.00 0.00 H new ATOM 0 HD2 HIS A 169 4.930 0.242 -6.431 1.00 0.00 H new ATOM 0 HE1 HIS A 169 3.735 4.171 -5.398 1.00 0.00 H new ATOM 0 HE2 HIS A 169 5.671 2.718 -6.170 1.00 0.00 H new ATOM 1029 N VAL A 170 0.600 -2.727 -3.910 1.00 0.00 N ATOM 1030 CA VAL A 170 -0.201 -3.945 -3.962 1.00 0.00 C ATOM 1031 C VAL A 170 -1.601 -3.599 -4.447 1.00 0.00 C ATOM 1032 O VAL A 170 -2.181 -2.594 -4.037 1.00 0.00 O ATOM 1033 CB VAL A 170 -0.256 -4.676 -2.578 1.00 0.00 C ATOM 1034 CG1 VAL A 170 0.819 -4.164 -1.635 1.00 0.00 C ATOM 1035 CG2 VAL A 170 -1.632 -4.615 -1.922 1.00 0.00 C ATOM 0 H VAL A 170 0.459 -2.166 -3.070 1.00 0.00 H new ATOM 0 HA VAL A 170 0.271 -4.637 -4.660 1.00 0.00 H new ATOM 0 HB VAL A 170 -0.058 -5.727 -2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 170 0.751 -4.693 -0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 170 1.801 -4.334 -2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 170 0.677 -3.096 -1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 170 -1.603 -5.140 -0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 170 -1.910 -3.574 -1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 170 -2.367 -5.088 -2.574 1.00 0.00 H new ATOM 1045 N MET A 171 -2.121 -4.404 -5.351 1.00 0.00 N ATOM 1046 CA MET A 171 -3.394 -4.110 -5.972 1.00 0.00 C ATOM 1047 C MET A 171 -4.546 -4.533 -5.074 1.00 0.00 C ATOM 1048 O MET A 171 -4.706 -5.714 -4.766 1.00 0.00 O ATOM 1049 CB MET A 171 -3.492 -4.807 -7.327 1.00 0.00 C ATOM 1050 CG MET A 171 -4.705 -4.392 -8.140 1.00 0.00 C ATOM 1051 SD MET A 171 -4.741 -2.626 -8.491 1.00 0.00 S ATOM 1052 CE MET A 171 -3.157 -2.407 -9.303 1.00 0.00 C ATOM 0 H MET A 171 -1.681 -5.267 -5.671 1.00 0.00 H new ATOM 0 HA MET A 171 -3.461 -3.033 -6.124 1.00 0.00 H new ATOM 0 HB2 MET A 171 -2.590 -4.594 -7.901 1.00 0.00 H new ATOM 0 HB3 MET A 171 -3.522 -5.885 -7.170 1.00 0.00 H new ATOM 0 HG2 MET A 171 -4.713 -4.944 -9.080 1.00 0.00 H new ATOM 0 HG3 MET A 171 -5.610 -4.669 -7.600 1.00 0.00 H new ATOM 0 HE1 MET A 171 -3.165 -1.477 -9.871 1.00 0.00 H new ATOM 0 HE2 MET A 171 -2.366 -2.368 -8.554 1.00 0.00 H new ATOM 0 HE3 MET A 171 -2.976 -3.243 -9.978 1.00 0.00 H new ATOM 1062 N ILE A 172 -5.337 -3.565 -4.643 1.00 0.00 N ATOM 1063 CA ILE A 172 -6.498 -3.850 -3.825 1.00 0.00 C ATOM 1064 C ILE A 172 -7.733 -3.905 -4.708 1.00 0.00 C ATOM 1065 O ILE A 172 -8.200 -2.878 -5.204 1.00 0.00 O ATOM 1066 CB ILE A 172 -6.722 -2.790 -2.726 1.00 0.00 C ATOM 1067 CG1 ILE A 172 -5.406 -2.439 -2.021 1.00 0.00 C ATOM 1068 CG2 ILE A 172 -7.742 -3.304 -1.723 1.00 0.00 C ATOM 1069 CD1 ILE A 172 -5.546 -1.336 -0.987 1.00 0.00 C ATOM 0 H ILE A 172 -5.194 -2.576 -4.847 1.00 0.00 H new ATOM 0 HA ILE A 172 -6.321 -4.807 -3.335 1.00 0.00 H new ATOM 0 HB ILE A 172 -7.102 -1.880 -3.191 1.00 0.00 H new ATOM 0 HG12 ILE A 172 -5.014 -3.333 -1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 172 -4.673 -2.134 -2.768 1.00 0.00 H new ATOM 0 HG21 ILE A 172 -7.899 -2.554 -0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 172 -8.685 -3.503 -2.232 1.00 0.00 H new ATOM 0 HG23 ILE A 172 -7.374 -4.224 -1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 172 -4.576 -1.141 -0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 172 -5.908 -0.428 -1.470 1.00 0.00 H new ATOM 0 HD13 ILE A 172 -6.254 -1.646 -0.218 1.00 0.00 H new ATOM 1081 N ARG A 173 -8.248 -5.100 -4.915 1.00 0.00 N ATOM 1082 CA ARG A 173 -9.408 -5.286 -5.765 1.00 0.00 C ATOM 1083 C ARG A 173 -10.655 -4.715 -5.103 1.00 0.00 C ATOM 1084 O ARG A 173 -11.047 -5.142 -4.017 1.00 0.00 O ATOM 1085 CB ARG A 173 -9.598 -6.771 -6.096 1.00 0.00 C ATOM 1086 CG ARG A 173 -9.628 -7.672 -4.874 1.00 0.00 C ATOM 1087 CD ARG A 173 -9.682 -9.141 -5.251 1.00 0.00 C ATOM 1088 NE ARG A 173 -8.531 -9.548 -6.060 1.00 0.00 N ATOM 1089 CZ ARG A 173 -7.828 -10.661 -5.848 1.00 0.00 C ATOM 1090 NH1 ARG A 173 -8.048 -11.400 -4.767 1.00 0.00 N1+ ATOM 1091 NH2 ARG A 173 -6.869 -11.006 -6.695 1.00 0.00 N ATOM 0 H ARG A 173 -7.881 -5.959 -4.506 1.00 0.00 H new ATOM 0 HA ARG A 173 -9.243 -4.747 -6.698 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -10.529 -6.894 -6.650 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -8.791 -7.093 -6.754 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -8.743 -7.486 -4.265 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -10.494 -7.423 -4.261 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -9.719 -9.746 -4.345 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -10.600 -9.339 -5.804 1.00 0.00 H new ATOM 0 HE ARG A 173 -8.250 -8.944 -6.832 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -8.759 -11.118 -4.092 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -7.506 -12.250 -4.612 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -6.670 -10.421 -7.506 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -6.329 -11.857 -6.536 1.00 0.00 H new ATOM 1105 N CYS A 174 -11.246 -3.721 -5.745 1.00 0.00 N ATOM 1106 CA CYS A 174 -12.476 -3.127 -5.261 1.00 0.00 C ATOM 1107 C CYS A 174 -13.662 -3.820 -5.919 1.00 0.00 C ATOM 1108 O CYS A 174 -14.066 -3.475 -7.031 1.00 0.00 O ATOM 1109 CB CYS A 174 -12.493 -1.624 -5.552 1.00 0.00 C ATOM 1110 SG CYS A 174 -13.868 -0.734 -4.787 1.00 0.00 S ATOM 0 H CYS A 174 -10.890 -3.308 -6.607 1.00 0.00 H new ATOM 0 HA CYS A 174 -12.543 -3.259 -4.181 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -11.556 -1.188 -5.206 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -12.534 -1.475 -6.631 1.00 0.00 H new ATOM 0 HG CYS A 174 -13.529 -0.359 -3.589 1.00 0.00 H new ATOM 1116 N GLN A 175 -14.200 -4.813 -5.231 1.00 0.00 N ATOM 1117 CA GLN A 175 -15.264 -5.639 -5.775 1.00 0.00 C ATOM 1118 C GLN A 175 -16.552 -5.426 -4.998 1.00 0.00 C ATOM 1119 O GLN A 175 -16.658 -5.829 -3.838 1.00 0.00 O ATOM 1120 CB GLN A 175 -14.855 -7.110 -5.723 1.00 0.00 C ATOM 1121 CG GLN A 175 -13.589 -7.409 -6.507 1.00 0.00 C ATOM 1122 CD GLN A 175 -13.083 -8.816 -6.275 1.00 0.00 C ATOM 1123 OE1 GLN A 175 -13.270 -9.385 -5.204 1.00 0.00 O ATOM 1124 NE2 GLN A 175 -12.433 -9.384 -7.276 1.00 0.00 N ATOM 0 H GLN A 175 -13.914 -5.068 -4.286 1.00 0.00 H new ATOM 0 HA GLN A 175 -15.436 -5.352 -6.813 1.00 0.00 H new ATOM 0 HB2 GLN A 175 -14.708 -7.403 -4.683 1.00 0.00 H new ATOM 0 HB3 GLN A 175 -15.669 -7.720 -6.114 1.00 0.00 H new ATOM 0 HG2 GLN A 175 -13.782 -7.266 -7.570 1.00 0.00 H new ATOM 0 HG3 GLN A 175 -12.814 -6.696 -6.225 1.00 0.00 H new ATOM 0 HE21 GLN A 175 -12.299 -8.876 -8.150 1.00 0.00 H new ATOM 0 HE22 GLN A 175 -12.065 -10.330 -7.174 1.00 0.00 H new ATOM 1133 N GLU A 176 -17.518 -4.776 -5.642 1.00 0.00 N ATOM 1134 CA GLU A 176 -18.800 -4.452 -5.019 1.00 0.00 C ATOM 1135 C GLU A 176 -18.590 -3.714 -3.697 1.00 0.00 C ATOM 1136 O GLU A 176 -19.280 -3.971 -2.708 1.00 0.00 O ATOM 1137 CB GLU A 176 -19.640 -5.716 -4.818 1.00 0.00 C ATOM 1138 CG GLU A 176 -19.999 -6.410 -6.125 1.00 0.00 C ATOM 1139 CD GLU A 176 -20.975 -7.552 -5.940 1.00 0.00 C ATOM 1140 OE1 GLU A 176 -20.566 -8.725 -6.077 1.00 0.00 O ATOM 1141 OE2 GLU A 176 -22.160 -7.283 -5.658 1.00 0.00 O1- ATOM 0 H GLU A 176 -17.435 -4.459 -6.608 1.00 0.00 H new ATOM 0 HA GLU A 176 -19.347 -3.789 -5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -19.092 -6.412 -4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -20.556 -5.455 -4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -20.428 -5.680 -6.811 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -19.089 -6.789 -6.591 1.00 0.00 H new ATOM 1148 N LEU A 177 -17.613 -2.804 -3.709 1.00 0.00 N ATOM 1149 CA LEU A 177 -17.279 -1.958 -2.561 1.00 0.00 C ATOM 1150 C LEU A 177 -16.579 -2.742 -1.451 1.00 0.00 C ATOM 1151 O LEU A 177 -16.476 -2.269 -0.319 1.00 0.00 O ATOM 1152 CB LEU A 177 -18.520 -1.237 -2.023 1.00 0.00 C ATOM 1153 CG LEU A 177 -19.157 -0.238 -2.989 1.00 0.00 C ATOM 1154 CD1 LEU A 177 -20.435 0.334 -2.402 1.00 0.00 C ATOM 1155 CD2 LEU A 177 -18.179 0.879 -3.311 1.00 0.00 C ATOM 0 H LEU A 177 -17.025 -2.632 -4.525 1.00 0.00 H new ATOM 0 HA LEU A 177 -16.575 -1.205 -2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -19.266 -1.984 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -18.248 -0.711 -1.108 1.00 0.00 H new ATOM 0 HG LEU A 177 -19.407 -0.762 -3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -20.873 1.043 -3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -21.142 -0.474 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -20.209 0.844 -1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -18.645 1.583 -4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -17.904 1.398 -2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -17.285 0.458 -3.772 1.00 0.00 H new ATOM 1167 N LYS A 178 -16.100 -3.936 -1.776 1.00 0.00 N ATOM 1168 CA LYS A 178 -15.247 -4.690 -0.865 1.00 0.00 C ATOM 1169 C LYS A 178 -13.807 -4.651 -1.353 1.00 0.00 C ATOM 1170 O LYS A 178 -13.552 -4.686 -2.556 1.00 0.00 O ATOM 1171 CB LYS A 178 -15.711 -6.143 -0.725 1.00 0.00 C ATOM 1172 CG LYS A 178 -16.623 -6.386 0.470 1.00 0.00 C ATOM 1173 CD LYS A 178 -17.958 -5.682 0.323 1.00 0.00 C ATOM 1174 CE LYS A 178 -18.856 -6.406 -0.664 1.00 0.00 C ATOM 1175 NZ LYS A 178 -19.257 -7.751 -0.169 1.00 0.00 N1+ ATOM 0 H LYS A 178 -16.287 -4.403 -2.663 1.00 0.00 H new ATOM 0 HA LYS A 178 -15.315 -4.223 0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 178 -16.234 -6.436 -1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 178 -14.836 -6.787 -0.639 1.00 0.00 H new ATOM 0 HG2 LYS A 178 -16.790 -7.457 0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 178 -16.129 -6.040 1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 178 -18.451 -5.626 1.293 1.00 0.00 H new ATOM 0 HD3 LYS A 178 -17.797 -4.657 -0.012 1.00 0.00 H new ATOM 0 HE2 LYS A 178 -19.748 -5.807 -0.850 1.00 0.00 H new ATOM 0 HE3 LYS A 178 -18.338 -6.510 -1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 -20.108 -8.068 -0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 -18.484 -8.426 -0.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 -19.460 -7.700 0.850 1.00 0.00 H new ATOM 1189 N TYR A 179 -12.877 -4.573 -0.418 1.00 0.00 N ATOM 1190 CA TYR A 179 -11.467 -4.446 -0.744 1.00 0.00 C ATOM 1191 C TYR A 179 -10.717 -5.720 -0.377 1.00 0.00 C ATOM 1192 O TYR A 179 -10.998 -6.333 0.656 1.00 0.00 O ATOM 1193 CB TYR A 179 -10.867 -3.260 0.011 1.00 0.00 C ATOM 1194 CG TYR A 179 -11.664 -1.981 -0.123 1.00 0.00 C ATOM 1195 CD1 TYR A 179 -11.529 -1.165 -1.239 1.00 0.00 C ATOM 1196 CD2 TYR A 179 -12.549 -1.588 0.873 1.00 0.00 C ATOM 1197 CE1 TYR A 179 -12.252 0.007 -1.355 1.00 0.00 C ATOM 1198 CE2 TYR A 179 -13.275 -0.419 0.762 1.00 0.00 C ATOM 1199 CZ TYR A 179 -13.124 0.376 -0.352 1.00 0.00 C ATOM 1200 OH TYR A 179 -13.841 1.546 -0.459 1.00 0.00 O ATOM 0 H TYR A 179 -13.075 -4.596 0.582 1.00 0.00 H new ATOM 0 HA TYR A 179 -11.371 -4.281 -1.817 1.00 0.00 H new ATOM 0 HB2 TYR A 179 -10.787 -3.517 1.067 1.00 0.00 H new ATOM 0 HB3 TYR A 179 -9.854 -3.085 -0.353 1.00 0.00 H new ATOM 0 HD1 TYR A 179 -10.849 -1.451 -2.028 1.00 0.00 H new ATOM 0 HD2 TYR A 179 -12.671 -2.208 1.749 1.00 0.00 H new ATOM 0 HE1 TYR A 179 -12.135 0.632 -2.228 1.00 0.00 H new ATOM 0 HE2 TYR A 179 -13.959 -0.129 1.546 1.00 0.00 H new ATOM 0 HH TYR A 179 -14.693 1.452 0.015 1.00 0.00 H new ATOM 1210 N ASP A 180 -9.770 -6.117 -1.222 1.00 0.00 N ATOM 1211 CA ASP A 180 -8.972 -7.315 -0.973 1.00 0.00 C ATOM 1212 C ASP A 180 -7.630 -7.243 -1.704 1.00 0.00 C ATOM 1213 O ASP A 180 -7.560 -6.796 -2.847 1.00 0.00 O ATOM 1214 CB ASP A 180 -9.759 -8.552 -1.419 1.00 0.00 C ATOM 1215 CG ASP A 180 -8.946 -9.824 -1.389 1.00 0.00 C ATOM 1216 OD1 ASP A 180 -8.186 -10.031 -0.421 1.00 0.00 O ATOM 1217 OD2 ASP A 180 -9.071 -10.630 -2.339 1.00 0.00 O1- ATOM 0 H ASP A 180 -9.536 -5.627 -2.085 1.00 0.00 H new ATOM 0 HA ASP A 180 -8.764 -7.383 0.095 1.00 0.00 H new ATOM 0 HB2 ASP A 180 -10.630 -8.671 -0.774 1.00 0.00 H new ATOM 0 HB3 ASP A 180 -10.131 -8.391 -2.431 1.00 0.00 H new ATOM 1222 N VAL A 181 -6.563 -7.657 -1.027 1.00 0.00 N ATOM 1223 CA VAL A 181 -5.239 -7.737 -1.644 1.00 0.00 C ATOM 1224 C VAL A 181 -5.050 -9.128 -2.261 1.00 0.00 C ATOM 1225 O VAL A 181 -4.157 -9.358 -3.085 1.00 0.00 O ATOM 1226 CB VAL A 181 -4.110 -7.423 -0.616 1.00 0.00 C ATOM 1227 CG1 VAL A 181 -2.736 -7.767 -1.140 1.00 0.00 C ATOM 1228 CG2 VAL A 181 -4.119 -5.964 -0.222 1.00 0.00 C ATOM 0 H VAL A 181 -6.588 -7.943 -0.048 1.00 0.00 H new ATOM 0 HA VAL A 181 -5.172 -6.984 -2.429 1.00 0.00 H new ATOM 0 HB VAL A 181 -4.319 -8.047 0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -1.988 -7.528 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -2.691 -8.831 -1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -2.536 -7.190 -2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -3.320 -5.776 0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -3.964 -5.347 -1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -5.079 -5.715 0.230 1.00 0.00 H new ATOM 1238 N GLY A 182 -5.944 -10.038 -1.898 1.00 0.00 N ATOM 1239 CA GLY A 182 -5.904 -11.383 -2.425 1.00 0.00 C ATOM 1240 C GLY A 182 -5.835 -12.435 -1.340 1.00 0.00 C ATOM 1241 O GLY A 182 -5.707 -13.626 -1.632 1.00 0.00 O ATOM 0 H GLY A 182 -6.704 -9.863 -1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 182 -6.790 -11.555 -3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 182 -5.039 -11.486 -3.080 1.00 0.00 H new ATOM 1245 N GLY A 183 -5.928 -12.012 -0.087 1.00 0.00 N ATOM 1246 CA GLY A 183 -5.756 -12.951 1.006 1.00 0.00 C ATOM 1247 C GLY A 183 -6.758 -12.778 2.127 1.00 0.00 C ATOM 1248 O GLY A 183 -7.077 -11.654 2.522 1.00 0.00 O ATOM 0 H GLY A 183 -6.117 -11.049 0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 183 -5.834 -13.966 0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -4.750 -12.842 1.411 1.00 0.00 H new ATOM 1252 N GLY A 184 -7.223 -13.894 2.667 1.00 0.00 N ATOM 1253 CA GLY A 184 -8.089 -13.859 3.825 1.00 0.00 C ATOM 1254 C GLY A 184 -9.527 -13.531 3.484 1.00 0.00 C ATOM 1255 O GLY A 184 -10.197 -14.281 2.774 1.00 0.00 O ATOM 0 H GLY A 184 -7.014 -14.830 2.320 1.00 0.00 H new ATOM 0 HA2 GLY A 184 -8.053 -14.826 4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 184 -7.712 -13.119 4.531 1.00 0.00 H new ATOM 1259 N GLU A 185 -9.995 -12.403 3.992 1.00 0.00 N ATOM 1260 CA GLU A 185 -11.382 -11.994 3.830 1.00 0.00 C ATOM 1261 C GLU A 185 -11.466 -10.712 3.016 1.00 0.00 C ATOM 1262 O GLU A 185 -10.545 -9.898 3.038 1.00 0.00 O ATOM 1263 CB GLU A 185 -12.004 -11.754 5.205 1.00 0.00 C ATOM 1264 CG GLU A 185 -11.971 -12.970 6.111 1.00 0.00 C ATOM 1265 CD GLU A 185 -11.988 -12.594 7.576 1.00 0.00 C ATOM 1266 OE1 GLU A 185 -13.068 -12.251 8.099 1.00 0.00 O ATOM 1267 OE2 GLU A 185 -10.913 -12.630 8.211 1.00 0.00 O1- ATOM 0 H GLU A 185 -9.427 -11.746 4.527 1.00 0.00 H new ATOM 0 HA GLU A 185 -11.921 -12.784 3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 185 -11.478 -10.934 5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 185 -13.039 -11.437 5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 185 -12.828 -13.607 5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 185 -11.076 -13.555 5.898 1.00 0.00 H new ATOM 1274 N ARG A 186 -12.559 -10.547 2.288 1.00 0.00 N ATOM 1275 CA ARG A 186 -12.834 -9.286 1.619 1.00 0.00 C ATOM 1276 C ARG A 186 -13.432 -8.318 2.630 1.00 0.00 C ATOM 1277 O ARG A 186 -14.404 -8.646 3.314 1.00 0.00 O ATOM 1278 CB ARG A 186 -13.787 -9.483 0.437 1.00 0.00 C ATOM 1279 CG ARG A 186 -13.225 -10.380 -0.655 1.00 0.00 C ATOM 1280 CD ARG A 186 -14.202 -10.535 -1.809 1.00 0.00 C ATOM 1281 NE ARG A 186 -13.729 -11.498 -2.802 1.00 0.00 N ATOM 1282 CZ ARG A 186 -14.429 -11.877 -3.874 1.00 0.00 C ATOM 1283 NH1 ARG A 186 -15.622 -11.347 -4.116 1.00 0.00 N1+ ATOM 1284 NH2 ARG A 186 -13.931 -12.781 -4.708 1.00 0.00 N ATOM 0 H ARG A 186 -13.267 -11.267 2.146 1.00 0.00 H new ATOM 0 HA ARG A 186 -11.903 -8.880 1.222 1.00 0.00 H new ATOM 0 HB2 ARG A 186 -14.721 -9.910 0.802 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -14.027 -8.510 0.009 1.00 0.00 H new ATOM 0 HG2 ARG A 186 -12.288 -9.962 -1.024 1.00 0.00 H new ATOM 0 HG3 ARG A 186 -12.994 -11.361 -0.239 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -15.170 -10.857 -1.424 1.00 0.00 H new ATOM 0 HD3 ARG A 186 -14.355 -9.567 -2.287 1.00 0.00 H new ATOM 0 HE ARG A 186 -12.804 -11.907 -2.667 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -16.007 -10.647 -3.482 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -16.153 -11.640 -4.936 1.00 0.00 H new ATOM 0 HH21 ARG A 186 -13.012 -13.187 -4.531 1.00 0.00 H new ATOM 0 HH22 ARG A 186 -14.467 -13.070 -5.527 1.00 0.00 H new ATOM 1298 N PHE A 187 -12.848 -7.140 2.739 1.00 0.00 N ATOM 1299 CA PHE A 187 -13.238 -6.200 3.777 1.00 0.00 C ATOM 1300 C PHE A 187 -14.058 -5.055 3.206 1.00 0.00 C ATOM 1301 O PHE A 187 -13.761 -4.535 2.133 1.00 0.00 O ATOM 1302 CB PHE A 187 -11.997 -5.663 4.489 1.00 0.00 C ATOM 1303 CG PHE A 187 -11.182 -6.736 5.156 1.00 0.00 C ATOM 1304 CD1 PHE A 187 -9.949 -7.107 4.647 1.00 0.00 C ATOM 1305 CD2 PHE A 187 -11.656 -7.379 6.287 1.00 0.00 C ATOM 1306 CE1 PHE A 187 -9.202 -8.096 5.256 1.00 0.00 C ATOM 1307 CE2 PHE A 187 -10.913 -8.369 6.900 1.00 0.00 C ATOM 1308 CZ PHE A 187 -9.685 -8.728 6.384 1.00 0.00 C ATOM 0 H PHE A 187 -12.104 -6.810 2.124 1.00 0.00 H new ATOM 0 HA PHE A 187 -13.862 -6.729 4.497 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -11.372 -5.137 3.767 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -12.304 -4.932 5.237 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -9.567 -6.617 3.763 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -12.617 -7.103 6.694 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -8.241 -8.375 4.850 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -11.293 -8.862 7.783 1.00 0.00 H new ATOM 0 HZ PHE A 187 -9.103 -9.502 6.862 1.00 0.00 H new ATOM 1318 N ASP A 188 -15.098 -4.682 3.943 1.00 0.00 N ATOM 1319 CA ASP A 188 -16.020 -3.625 3.528 1.00 0.00 C ATOM 1320 C ASP A 188 -15.344 -2.267 3.586 1.00 0.00 C ATOM 1321 O ASP A 188 -15.764 -1.316 2.929 1.00 0.00 O ATOM 1322 CB ASP A 188 -17.253 -3.611 4.434 1.00 0.00 C ATOM 1323 CG ASP A 188 -18.007 -4.922 4.430 1.00 0.00 C ATOM 1324 OD1 ASP A 188 -17.606 -5.846 5.171 1.00 0.00 O ATOM 1325 OD2 ASP A 188 -19.019 -5.028 3.708 1.00 0.00 O1- ATOM 0 H ASP A 188 -15.328 -5.101 4.844 1.00 0.00 H new ATOM 0 HA ASP A 188 -16.323 -3.828 2.501 1.00 0.00 H new ATOM 0 HB2 ASP A 188 -16.945 -3.379 5.453 1.00 0.00 H new ATOM 0 HB3 ASP A 188 -17.923 -2.813 4.114 1.00 0.00 H new ATOM 1330 N SER A 189 -14.303 -2.181 4.393 1.00 0.00 N ATOM 1331 CA SER A 189 -13.546 -0.957 4.534 1.00 0.00 C ATOM 1332 C SER A 189 -12.066 -1.257 4.390 1.00 0.00 C ATOM 1333 O SER A 189 -11.594 -2.321 4.800 1.00 0.00 O ATOM 1334 CB SER A 189 -13.824 -0.328 5.899 1.00 0.00 C ATOM 1335 OG SER A 189 -13.442 -1.201 6.948 1.00 0.00 O ATOM 0 H SER A 189 -13.962 -2.954 4.965 1.00 0.00 H new ATOM 0 HA SER A 189 -13.846 -0.255 3.756 1.00 0.00 H new ATOM 0 HB2 SER A 189 -13.280 0.612 5.988 1.00 0.00 H new ATOM 0 HB3 SER A 189 -14.885 -0.092 5.985 1.00 0.00 H new ATOM 0 HG SER A 189 -13.628 -0.776 7.811 1.00 0.00 H new ATOM 1341 N LEU A 190 -11.335 -0.330 3.789 1.00 0.00 N ATOM 1342 CA LEU A 190 -9.898 -0.474 3.663 1.00 0.00 C ATOM 1343 C LEU A 190 -9.224 -0.435 5.021 1.00 0.00 C ATOM 1344 O LEU A 190 -8.100 -0.891 5.162 1.00 0.00 O ATOM 1345 CB LEU A 190 -9.317 0.590 2.742 1.00 0.00 C ATOM 1346 CG LEU A 190 -9.215 0.162 1.279 1.00 0.00 C ATOM 1347 CD1 LEU A 190 -8.977 1.345 0.370 1.00 0.00 C ATOM 1348 CD2 LEU A 190 -8.089 -0.826 1.114 1.00 0.00 C ATOM 0 H LEU A 190 -11.714 0.526 3.383 1.00 0.00 H new ATOM 0 HA LEU A 190 -9.703 -1.449 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -9.935 1.486 2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 190 -8.324 0.862 3.100 1.00 0.00 H new ATOM 0 HG LEU A 190 -10.163 -0.299 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -8.910 1.003 -0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -9.803 2.049 0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -8.046 1.838 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 190 -8.020 -1.128 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 190 -7.151 -0.363 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 190 -8.280 -1.702 1.733 1.00 0.00 H new ATOM 1360 N THR A 191 -9.904 0.129 6.011 1.00 0.00 N ATOM 1361 CA THR A 191 -9.386 0.158 7.368 1.00 0.00 C ATOM 1362 C THR A 191 -9.068 -1.257 7.851 1.00 0.00 C ATOM 1363 O THR A 191 -7.975 -1.520 8.344 1.00 0.00 O ATOM 1364 CB THR A 191 -10.395 0.817 8.323 1.00 0.00 C ATOM 1365 OG1 THR A 191 -10.979 1.963 7.686 1.00 0.00 O ATOM 1366 CG2 THR A 191 -9.716 1.246 9.614 1.00 0.00 C ATOM 0 H THR A 191 -10.816 0.572 5.897 1.00 0.00 H new ATOM 0 HA THR A 191 -8.469 0.747 7.365 1.00 0.00 H new ATOM 0 HB THR A 191 -11.171 0.090 8.564 1.00 0.00 H new ATOM 0 HG1 THR A 191 -11.623 2.382 8.294 1.00 0.00 H new ATOM 0 HG21 THR A 191 -10.449 1.710 10.274 1.00 0.00 H new ATOM 0 HG22 THR A 191 -9.285 0.374 10.106 1.00 0.00 H new ATOM 0 HG23 THR A 191 -8.926 1.963 9.389 1.00 0.00 H new ATOM 1374 N ASP A 192 -10.014 -2.174 7.672 1.00 0.00 N ATOM 1375 CA ASP A 192 -9.792 -3.569 8.036 1.00 0.00 C ATOM 1376 C ASP A 192 -8.776 -4.204 7.100 1.00 0.00 C ATOM 1377 O ASP A 192 -7.980 -5.044 7.513 1.00 0.00 O ATOM 1378 CB ASP A 192 -11.096 -4.368 8.002 1.00 0.00 C ATOM 1379 CG ASP A 192 -12.005 -4.057 9.170 1.00 0.00 C ATOM 1380 OD1 ASP A 192 -13.146 -3.608 8.941 1.00 0.00 O ATOM 1381 OD2 ASP A 192 -11.580 -4.258 10.327 1.00 0.00 O1- ATOM 0 H ASP A 192 -10.935 -1.978 7.280 1.00 0.00 H new ATOM 0 HA ASP A 192 -9.406 -3.588 9.055 1.00 0.00 H new ATOM 0 HB2 ASP A 192 -11.622 -4.156 7.071 1.00 0.00 H new ATOM 0 HB3 ASP A 192 -10.864 -5.433 8.002 1.00 0.00 H new ATOM 1386 N LEU A 193 -8.805 -3.788 5.839 1.00 0.00 N ATOM 1387 CA LEU A 193 -7.874 -4.289 4.833 1.00 0.00 C ATOM 1388 C LEU A 193 -6.439 -3.983 5.252 1.00 0.00 C ATOM 1389 O LEU A 193 -5.601 -4.883 5.351 1.00 0.00 O ATOM 1390 CB LEU A 193 -8.192 -3.632 3.474 1.00 0.00 C ATOM 1391 CG LEU A 193 -7.493 -4.201 2.222 1.00 0.00 C ATOM 1392 CD1 LEU A 193 -5.995 -3.894 2.210 1.00 0.00 C ATOM 1393 CD2 LEU A 193 -7.742 -5.696 2.107 1.00 0.00 C ATOM 0 H LEU A 193 -9.469 -3.099 5.486 1.00 0.00 H new ATOM 0 HA LEU A 193 -7.981 -5.370 4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -9.268 -3.695 3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -7.942 -2.574 3.546 1.00 0.00 H new ATOM 0 HG LEU A 193 -7.926 -3.707 1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -5.545 -4.314 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -5.845 -2.814 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -5.526 -4.335 3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -7.242 -6.081 1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -7.350 -6.199 2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -8.813 -5.882 2.029 1.00 0.00 H new ATOM 1405 N VAL A 194 -6.177 -2.715 5.532 1.00 0.00 N ATOM 1406 CA VAL A 194 -4.830 -2.257 5.823 1.00 0.00 C ATOM 1407 C VAL A 194 -4.339 -2.789 7.169 1.00 0.00 C ATOM 1408 O VAL A 194 -3.196 -3.220 7.290 1.00 0.00 O ATOM 1409 CB VAL A 194 -4.731 -0.711 5.790 1.00 0.00 C ATOM 1410 CG1 VAL A 194 -5.138 -0.164 4.420 1.00 0.00 C ATOM 1411 CG2 VAL A 194 -5.565 -0.067 6.888 1.00 0.00 C ATOM 0 H VAL A 194 -6.886 -1.982 5.563 1.00 0.00 H new ATOM 0 HA VAL A 194 -4.185 -2.654 5.039 1.00 0.00 H new ATOM 0 HB VAL A 194 -3.688 -0.453 5.971 1.00 0.00 H new ATOM 0 HG11 VAL A 194 -5.059 0.923 4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 194 -4.478 -0.572 3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 194 -6.167 -0.453 4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 194 -5.468 1.017 6.830 1.00 0.00 H new ATOM 0 HG22 VAL A 194 -6.611 -0.345 6.761 1.00 0.00 H new ATOM 0 HG23 VAL A 194 -5.214 -0.411 7.861 1.00 0.00 H new ATOM 1421 N GLU A 195 -5.214 -2.776 8.170 1.00 0.00 N ATOM 1422 CA GLU A 195 -4.866 -3.274 9.501 1.00 0.00 C ATOM 1423 C GLU A 195 -4.622 -4.782 9.487 1.00 0.00 C ATOM 1424 O GLU A 195 -3.740 -5.279 10.188 1.00 0.00 O ATOM 1425 CB GLU A 195 -5.955 -2.934 10.524 1.00 0.00 C ATOM 1426 CG GLU A 195 -6.117 -1.443 10.778 1.00 0.00 C ATOM 1427 CD GLU A 195 -7.006 -1.148 11.972 1.00 0.00 C ATOM 1428 OE1 GLU A 195 -6.465 -0.837 13.054 1.00 0.00 O ATOM 1429 OE2 GLU A 195 -8.245 -1.228 11.839 1.00 0.00 O1- ATOM 0 H GLU A 195 -6.169 -2.427 8.087 1.00 0.00 H new ATOM 0 HA GLU A 195 -3.942 -2.776 9.795 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -6.905 -3.339 10.177 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -5.722 -3.430 11.466 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -5.136 -0.997 10.941 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -6.538 -0.971 9.891 1.00 0.00 H new ATOM 1436 N HIS A 196 -5.394 -5.504 8.679 1.00 0.00 N ATOM 1437 CA HIS A 196 -5.257 -6.956 8.583 1.00 0.00 C ATOM 1438 C HIS A 196 -3.864 -7.336 8.093 1.00 0.00 C ATOM 1439 O HIS A 196 -3.229 -8.239 8.639 1.00 0.00 O ATOM 1440 CB HIS A 196 -6.316 -7.534 7.639 1.00 0.00 C ATOM 1441 CG HIS A 196 -6.319 -9.031 7.561 1.00 0.00 C ATOM 1442 ND1 HIS A 196 -5.733 -9.733 6.529 1.00 0.00 N ATOM 1443 CD2 HIS A 196 -6.857 -9.960 8.384 1.00 0.00 C ATOM 1444 CE1 HIS A 196 -5.915 -11.027 6.722 1.00 0.00 C ATOM 1445 NE2 HIS A 196 -6.592 -11.192 7.840 1.00 0.00 N ATOM 0 H HIS A 196 -6.120 -5.109 8.082 1.00 0.00 H new ATOM 0 HA HIS A 196 -5.404 -7.375 9.579 1.00 0.00 H new ATOM 0 HB2 HIS A 196 -7.300 -7.196 7.965 1.00 0.00 H new ATOM 0 HB3 HIS A 196 -6.155 -7.130 6.640 1.00 0.00 H new ATOM 0 HD2 HIS A 196 -7.396 -9.768 9.300 1.00 0.00 H new ATOM 0 HE1 HIS A 196 -5.567 -11.817 6.073 1.00 0.00 H new ATOM 0 HE2 HIS A 196 -6.873 -12.089 8.237 1.00 0.00 H new ATOM 1454 N TYR A 197 -3.392 -6.641 7.068 1.00 0.00 N ATOM 1455 CA TYR A 197 -2.078 -6.920 6.510 1.00 0.00 C ATOM 1456 C TYR A 197 -0.993 -6.177 7.282 1.00 0.00 C ATOM 1457 O TYR A 197 0.197 -6.422 7.096 1.00 0.00 O ATOM 1458 CB TYR A 197 -2.027 -6.555 5.030 1.00 0.00 C ATOM 1459 CG TYR A 197 -2.969 -7.368 4.173 1.00 0.00 C ATOM 1460 CD1 TYR A 197 -3.982 -6.751 3.462 1.00 0.00 C ATOM 1461 CD2 TYR A 197 -2.844 -8.749 4.073 1.00 0.00 C ATOM 1462 CE1 TYR A 197 -4.844 -7.480 2.672 1.00 0.00 C ATOM 1463 CE2 TYR A 197 -3.708 -9.487 3.283 1.00 0.00 C ATOM 1464 CZ TYR A 197 -4.707 -8.843 2.583 1.00 0.00 C ATOM 1465 OH TYR A 197 -5.567 -9.559 1.781 1.00 0.00 O ATOM 0 H TYR A 197 -3.897 -5.883 6.608 1.00 0.00 H new ATOM 0 HA TYR A 197 -1.893 -7.990 6.604 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.267 -5.498 4.917 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -1.009 -6.691 4.666 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -4.099 -5.679 3.527 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -2.061 -9.253 4.620 1.00 0.00 H new ATOM 0 HE1 TYR A 197 -5.627 -6.979 2.123 1.00 0.00 H new ATOM 0 HE2 TYR A 197 -3.601 -10.560 3.215 1.00 0.00 H new ATOM 0 HH TYR A 197 -5.989 -10.270 2.307 1.00 0.00 H new ATOM 1475 N LYS A 198 -1.413 -5.266 8.150 1.00 0.00 N ATOM 1476 CA LYS A 198 -0.490 -4.569 9.036 1.00 0.00 C ATOM 1477 C LYS A 198 0.034 -5.543 10.080 1.00 0.00 C ATOM 1478 O LYS A 198 1.184 -5.467 10.514 1.00 0.00 O ATOM 1479 CB LYS A 198 -1.196 -3.387 9.707 1.00 0.00 C ATOM 1480 CG LYS A 198 -0.266 -2.455 10.467 1.00 0.00 C ATOM 1481 CD LYS A 198 -1.023 -1.274 11.058 1.00 0.00 C ATOM 1482 CE LYS A 198 -1.993 -1.717 12.142 1.00 0.00 C ATOM 1483 NZ LYS A 198 -2.681 -0.564 12.774 1.00 0.00 N1+ ATOM 0 H LYS A 198 -2.389 -4.992 8.259 1.00 0.00 H new ATOM 0 HA LYS A 198 0.349 -4.181 8.458 1.00 0.00 H new ATOM 0 HB2 LYS A 198 -1.724 -2.813 8.945 1.00 0.00 H new ATOM 0 HB3 LYS A 198 -1.949 -3.771 10.395 1.00 0.00 H new ATOM 0 HG2 LYS A 198 0.231 -3.006 11.265 1.00 0.00 H new ATOM 0 HG3 LYS A 198 0.513 -2.091 9.797 1.00 0.00 H new ATOM 0 HD2 LYS A 198 -0.314 -0.558 11.474 1.00 0.00 H new ATOM 0 HD3 LYS A 198 -1.570 -0.759 10.268 1.00 0.00 H new ATOM 0 HE2 LYS A 198 -2.734 -2.391 11.713 1.00 0.00 H new ATOM 0 HE3 LYS A 198 -1.454 -2.280 12.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 198 -3.333 -0.908 13.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 198 -1.976 0.067 13.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 198 -3.217 -0.041 12.052 1.00 0.00 H new ATOM 1497 N LYS A 199 -0.825 -6.468 10.471 1.00 0.00 N ATOM 1498 CA LYS A 199 -0.448 -7.515 11.404 1.00 0.00 C ATOM 1499 C LYS A 199 0.132 -8.706 10.647 1.00 0.00 C ATOM 1500 O LYS A 199 0.933 -9.470 11.184 1.00 0.00 O ATOM 1501 CB LYS A 199 -1.667 -7.967 12.210 1.00 0.00 C ATOM 1502 CG LYS A 199 -2.407 -6.836 12.907 1.00 0.00 C ATOM 1503 CD LYS A 199 -1.562 -6.173 13.983 1.00 0.00 C ATOM 1504 CE LYS A 199 -2.360 -5.121 14.739 1.00 0.00 C ATOM 1505 NZ LYS A 199 -1.568 -4.483 15.823 1.00 0.00 N1+ ATOM 0 H LYS A 199 -1.794 -6.515 10.155 1.00 0.00 H new ATOM 0 HA LYS A 199 0.305 -7.120 12.085 1.00 0.00 H new ATOM 0 HB2 LYS A 199 -2.359 -8.482 11.544 1.00 0.00 H new ATOM 0 HB3 LYS A 199 -1.346 -8.692 12.958 1.00 0.00 H new ATOM 0 HG2 LYS A 199 -2.704 -6.090 12.170 1.00 0.00 H new ATOM 0 HG3 LYS A 199 -3.322 -7.224 13.354 1.00 0.00 H new ATOM 0 HD2 LYS A 199 -1.198 -6.928 14.680 1.00 0.00 H new ATOM 0 HD3 LYS A 199 -0.686 -5.711 13.528 1.00 0.00 H new ATOM 0 HE2 LYS A 199 -2.700 -4.355 14.042 1.00 0.00 H new ATOM 0 HE3 LYS A 199 -3.251 -5.581 15.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 -2.153 -3.774 16.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 -1.265 -5.208 16.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 -0.731 -4.020 15.415 1.00 0.00 H new ATOM 1519 N ASN A 200 -0.270 -8.846 9.389 1.00 0.00 N ATOM 1520 CA ASN A 200 0.107 -10.002 8.585 1.00 0.00 C ATOM 1521 C ASN A 200 0.703 -9.563 7.251 1.00 0.00 C ATOM 1522 O ASN A 200 -0.023 -9.377 6.276 1.00 0.00 O ATOM 1523 CB ASN A 200 -1.117 -10.891 8.327 1.00 0.00 C ATOM 1524 CG ASN A 200 -1.744 -11.417 9.604 1.00 0.00 C ATOM 1525 OD1 ASN A 200 -1.371 -12.477 10.101 1.00 0.00 O ATOM 1526 ND2 ASN A 200 -2.709 -10.685 10.139 1.00 0.00 N ATOM 0 H ASN A 200 -0.859 -8.170 8.902 1.00 0.00 H new ATOM 0 HA ASN A 200 0.857 -10.567 9.138 1.00 0.00 H new ATOM 0 HB2 ASN A 200 -1.862 -10.323 7.770 1.00 0.00 H new ATOM 0 HB3 ASN A 200 -0.823 -11.732 7.699 1.00 0.00 H new ATOM 0 HD21 ASN A 200 -3.171 -10.996 10.994 1.00 0.00 H new ATOM 0 HD22 ASN A 200 -2.991 -9.810 9.696 1.00 0.00 H new ATOM 1533 N PRO A 201 2.036 -9.387 7.197 1.00 0.00 N ATOM 1534 CA PRO A 201 2.747 -8.988 5.971 1.00 0.00 C ATOM 1535 C PRO A 201 2.467 -9.926 4.799 1.00 0.00 C ATOM 1536 O PRO A 201 2.611 -11.147 4.917 1.00 0.00 O ATOM 1537 CB PRO A 201 4.223 -9.074 6.375 1.00 0.00 C ATOM 1538 CG PRO A 201 4.215 -8.876 7.848 1.00 0.00 C ATOM 1539 CD PRO A 201 2.960 -9.545 8.335 1.00 0.00 C ATOM 0 HA PRO A 201 2.436 -8.002 5.627 1.00 0.00 H new ATOM 0 HB2 PRO A 201 4.653 -10.039 6.106 1.00 0.00 H new ATOM 0 HB3 PRO A 201 4.817 -8.309 5.874 1.00 0.00 H new ATOM 0 HG2 PRO A 201 5.099 -9.317 8.308 1.00 0.00 H new ATOM 0 HG3 PRO A 201 4.219 -7.816 8.102 1.00 0.00 H new ATOM 0 HD2 PRO A 201 3.129 -10.595 8.574 1.00 0.00 H new ATOM 0 HD3 PRO A 201 2.574 -9.071 9.237 1.00 0.00 H new ATOM 1547 N MET A 202 2.068 -9.358 3.672 1.00 0.00 N ATOM 1548 CA MET A 202 1.757 -10.144 2.486 1.00 0.00 C ATOM 1549 C MET A 202 3.001 -10.291 1.600 1.00 0.00 C ATOM 1550 O MET A 202 3.621 -9.301 1.209 1.00 0.00 O ATOM 1551 CB MET A 202 0.595 -9.499 1.710 1.00 0.00 C ATOM 1552 CG MET A 202 0.888 -8.114 1.175 1.00 0.00 C ATOM 1553 SD MET A 202 0.619 -6.824 2.391 1.00 0.00 S ATOM 1554 CE MET A 202 -0.788 -6.000 1.656 1.00 0.00 C ATOM 0 H MET A 202 1.951 -8.352 3.552 1.00 0.00 H new ATOM 0 HA MET A 202 1.446 -11.142 2.795 1.00 0.00 H new ATOM 0 HB2 MET A 202 0.328 -10.148 0.876 1.00 0.00 H new ATOM 0 HB3 MET A 202 -0.276 -9.445 2.363 1.00 0.00 H new ATOM 0 HG2 MET A 202 1.922 -8.074 0.833 1.00 0.00 H new ATOM 0 HG3 MET A 202 0.257 -7.925 0.306 1.00 0.00 H new ATOM 0 HE1 MET A 202 -1.068 -5.143 2.268 1.00 0.00 H new ATOM 0 HE2 MET A 202 -0.528 -5.660 0.653 1.00 0.00 H new ATOM 0 HE3 MET A 202 -1.626 -6.694 1.598 1.00 0.00 H new ATOM 1564 N VAL A 203 3.377 -11.532 1.309 1.00 0.00 N ATOM 1565 CA VAL A 203 4.589 -11.804 0.534 1.00 0.00 C ATOM 1566 C VAL A 203 4.289 -11.952 -0.962 1.00 0.00 C ATOM 1567 O VAL A 203 3.320 -12.614 -1.352 1.00 0.00 O ATOM 1568 CB VAL A 203 5.295 -13.096 1.017 1.00 0.00 C ATOM 1569 CG1 VAL A 203 6.620 -13.288 0.298 1.00 0.00 C ATOM 1570 CG2 VAL A 203 5.511 -13.097 2.521 1.00 0.00 C ATOM 0 H VAL A 203 2.864 -12.365 1.596 1.00 0.00 H new ATOM 0 HA VAL A 203 5.243 -10.946 0.689 1.00 0.00 H new ATOM 0 HB VAL A 203 4.636 -13.930 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 203 7.098 -14.201 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 203 6.444 -13.364 -0.775 1.00 0.00 H new ATOM 0 HG13 VAL A 203 7.270 -12.437 0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 203 6.009 -14.021 2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 203 6.131 -12.245 2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 203 4.548 -13.026 3.027 1.00 0.00 H new ATOM 1580 N GLU A 204 5.115 -11.311 -1.785 1.00 0.00 N ATOM 1581 CA GLU A 204 5.118 -11.524 -3.230 1.00 0.00 C ATOM 1582 C GLU A 204 5.866 -12.800 -3.578 1.00 0.00 C ATOM 1583 O GLU A 204 6.642 -13.315 -2.781 1.00 0.00 O ATOM 1584 CB GLU A 204 5.819 -10.370 -3.943 1.00 0.00 C ATOM 1585 CG GLU A 204 4.930 -9.198 -4.271 1.00 0.00 C ATOM 1586 CD GLU A 204 4.958 -8.896 -5.754 1.00 0.00 C ATOM 1587 OE1 GLU A 204 4.277 -9.613 -6.514 1.00 0.00 O ATOM 1588 OE2 GLU A 204 5.662 -7.951 -6.163 1.00 0.00 O1- ATOM 0 H GLU A 204 5.803 -10.628 -1.468 1.00 0.00 H new ATOM 0 HA GLU A 204 4.079 -11.592 -3.551 1.00 0.00 H new ATOM 0 HB2 GLU A 204 6.641 -10.021 -3.318 1.00 0.00 H new ATOM 0 HB3 GLU A 204 6.258 -10.745 -4.867 1.00 0.00 H new ATOM 0 HG2 GLU A 204 3.908 -9.413 -3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 204 5.256 -8.321 -3.711 1.00 0.00 H new ATOM 1595 N THR A 205 5.657 -13.279 -4.795 1.00 0.00 N ATOM 1596 CA THR A 205 6.342 -14.468 -5.274 1.00 0.00 C ATOM 1597 C THR A 205 7.788 -14.139 -5.643 1.00 0.00 C ATOM 1598 O THR A 205 8.595 -15.029 -5.896 1.00 0.00 O ATOM 1599 CB THR A 205 5.610 -15.095 -6.487 1.00 0.00 C ATOM 1600 OG1 THR A 205 6.313 -16.252 -6.955 1.00 0.00 O ATOM 1601 CG2 THR A 205 5.461 -14.093 -7.625 1.00 0.00 C ATOM 0 H THR A 205 5.017 -12.861 -5.470 1.00 0.00 H new ATOM 0 HA THR A 205 6.339 -15.199 -4.466 1.00 0.00 H new ATOM 0 HB THR A 205 4.615 -15.388 -6.153 1.00 0.00 H new ATOM 0 HG1 THR A 205 7.244 -16.213 -6.653 1.00 0.00 H new ATOM 0 HG21 THR A 205 4.943 -14.565 -8.460 1.00 0.00 H new ATOM 0 HG22 THR A 205 4.885 -13.234 -7.280 1.00 0.00 H new ATOM 0 HG23 THR A 205 6.447 -13.762 -7.950 1.00 0.00 H new ATOM 1609 N LEU A 206 8.101 -12.847 -5.669 1.00 0.00 N ATOM 1610 CA LEU A 206 9.450 -12.388 -5.972 1.00 0.00 C ATOM 1611 C LEU A 206 10.257 -12.220 -4.687 1.00 0.00 C ATOM 1612 O LEU A 206 11.387 -11.736 -4.711 1.00 0.00 O ATOM 1613 CB LEU A 206 9.425 -11.052 -6.732 1.00 0.00 C ATOM 1614 CG LEU A 206 8.747 -11.073 -8.103 1.00 0.00 C ATOM 1615 CD1 LEU A 206 7.241 -11.013 -7.950 1.00 0.00 C ATOM 1616 CD2 LEU A 206 9.237 -9.916 -8.956 1.00 0.00 C ATOM 0 H LEU A 206 7.435 -12.098 -5.483 1.00 0.00 H new ATOM 0 HA LEU A 206 9.920 -13.142 -6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 206 8.920 -10.313 -6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 206 10.452 -10.711 -6.862 1.00 0.00 H new ATOM 0 HG LEU A 206 9.008 -12.006 -8.602 1.00 0.00 H new ATOM 0 HD11 LEU A 206 6.774 -11.029 -8.935 1.00 0.00 H new ATOM 0 HD12 LEU A 206 6.899 -11.872 -7.373 1.00 0.00 H new ATOM 0 HD13 LEU A 206 6.964 -10.095 -7.432 1.00 0.00 H new ATOM 0 HD21 LEU A 206 8.744 -9.946 -9.928 1.00 0.00 H new ATOM 0 HD22 LEU A 206 9.003 -8.974 -8.460 1.00 0.00 H new ATOM 0 HD23 LEU A 206 10.315 -9.996 -9.093 1.00 0.00 H new ATOM 1628 N GLY A 207 9.662 -12.604 -3.566 1.00 0.00 N ATOM 1629 CA GLY A 207 10.340 -12.488 -2.288 1.00 0.00 C ATOM 1630 C GLY A 207 10.069 -11.165 -1.600 1.00 0.00 C ATOM 1631 O GLY A 207 10.355 -11.007 -0.413 1.00 0.00 O ATOM 0 H GLY A 207 8.721 -12.994 -3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 207 10.022 -13.303 -1.638 1.00 0.00 H new ATOM 0 HA3 GLY A 207 11.414 -12.601 -2.439 1.00 0.00 H new ATOM 1635 N THR A 208 9.531 -10.206 -2.343 1.00 0.00 N ATOM 1636 CA THR A 208 9.165 -8.921 -1.773 1.00 0.00 C ATOM 1637 C THR A 208 7.940 -9.087 -0.886 1.00 0.00 C ATOM 1638 O THR A 208 6.849 -9.355 -1.373 1.00 0.00 O ATOM 1639 CB THR A 208 8.858 -7.903 -2.895 1.00 0.00 C ATOM 1640 OG1 THR A 208 10.010 -7.751 -3.735 1.00 0.00 O ATOM 1641 CG2 THR A 208 8.430 -6.544 -2.346 1.00 0.00 C ATOM 0 H THR A 208 9.340 -10.296 -3.341 1.00 0.00 H new ATOM 0 HA THR A 208 10.000 -8.549 -1.179 1.00 0.00 H new ATOM 0 HB THR A 208 8.021 -8.294 -3.474 1.00 0.00 H new ATOM 0 HG1 THR A 208 9.813 -7.107 -4.447 1.00 0.00 H new ATOM 0 HG21 THR A 208 8.226 -5.865 -3.174 1.00 0.00 H new ATOM 0 HG22 THR A 208 7.530 -6.662 -1.743 1.00 0.00 H new ATOM 0 HG23 THR A 208 9.229 -6.133 -1.728 1.00 0.00 H new ATOM 1649 N VAL A 209 8.111 -8.930 0.409 1.00 0.00 N ATOM 1650 CA VAL A 209 6.985 -9.001 1.304 1.00 0.00 C ATOM 1651 C VAL A 209 6.697 -7.651 1.913 1.00 0.00 C ATOM 1652 O VAL A 209 7.581 -6.977 2.449 1.00 0.00 O ATOM 1653 CB VAL A 209 7.150 -10.088 2.384 1.00 0.00 C ATOM 1654 CG1 VAL A 209 8.533 -10.130 2.964 1.00 0.00 C ATOM 1655 CG2 VAL A 209 6.150 -9.926 3.506 1.00 0.00 C ATOM 0 H VAL A 209 9.010 -8.754 0.858 1.00 0.00 H new ATOM 0 HA VAL A 209 6.122 -9.296 0.707 1.00 0.00 H new ATOM 0 HB VAL A 209 6.966 -11.031 1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 209 8.587 -10.915 3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 209 9.253 -10.337 2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 209 8.764 -9.169 3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 209 6.302 -10.713 4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 209 6.287 -8.953 3.978 1.00 0.00 H new ATOM 0 HG23 VAL A 209 5.139 -9.995 3.105 1.00 0.00 H new ATOM 1665 N LEU A 210 5.447 -7.261 1.797 1.00 0.00 N ATOM 1666 CA LEU A 210 5.024 -5.942 2.183 1.00 0.00 C ATOM 1667 C LEU A 210 4.725 -5.912 3.670 1.00 0.00 C ATOM 1668 O LEU A 210 3.706 -6.427 4.127 1.00 0.00 O ATOM 1669 CB LEU A 210 3.800 -5.523 1.361 1.00 0.00 C ATOM 1670 CG LEU A 210 3.996 -5.504 -0.171 1.00 0.00 C ATOM 1671 CD1 LEU A 210 5.461 -5.388 -0.559 1.00 0.00 C ATOM 1672 CD2 LEU A 210 3.394 -6.728 -0.819 1.00 0.00 C ATOM 0 H LEU A 210 4.699 -7.852 1.433 1.00 0.00 H new ATOM 0 HA LEU A 210 5.824 -5.230 1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 210 2.979 -6.200 1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 210 3.493 -4.527 1.682 1.00 0.00 H new ATOM 0 HG LEU A 210 3.476 -4.618 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 210 5.550 -5.378 -1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 210 5.873 -4.464 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 210 6.012 -6.238 -0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 210 3.550 -6.683 -1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 210 3.872 -7.623 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 210 2.325 -6.763 -0.608 1.00 0.00 H new ATOM 1684 N GLN A 211 5.648 -5.341 4.424 1.00 0.00 N ATOM 1685 CA GLN A 211 5.499 -5.248 5.862 1.00 0.00 C ATOM 1686 C GLN A 211 4.809 -3.948 6.235 1.00 0.00 C ATOM 1687 O GLN A 211 5.459 -2.926 6.452 1.00 0.00 O ATOM 1688 CB GLN A 211 6.865 -5.339 6.543 1.00 0.00 C ATOM 1689 CG GLN A 211 7.589 -6.645 6.268 1.00 0.00 C ATOM 1690 CD GLN A 211 8.942 -6.713 6.943 1.00 0.00 C ATOM 1691 OE1 GLN A 211 9.056 -7.157 8.084 1.00 0.00 O ATOM 1692 NE2 GLN A 211 9.975 -6.275 6.245 1.00 0.00 N ATOM 0 H GLN A 211 6.510 -4.934 4.061 1.00 0.00 H new ATOM 0 HA GLN A 211 4.884 -6.080 6.205 1.00 0.00 H new ATOM 0 HB2 GLN A 211 7.487 -4.509 6.206 1.00 0.00 H new ATOM 0 HB3 GLN A 211 6.735 -5.224 7.619 1.00 0.00 H new ATOM 0 HG2 GLN A 211 6.974 -7.477 6.611 1.00 0.00 H new ATOM 0 HG3 GLN A 211 7.717 -6.766 5.192 1.00 0.00 H new ATOM 0 HE21 GLN A 211 9.837 -5.914 5.301 1.00 0.00 H new ATOM 0 HE22 GLN A 211 10.911 -6.298 6.650 1.00 0.00 H new ATOM 1701 N LEU A 212 3.491 -3.999 6.288 1.00 0.00 N ATOM 1702 CA LEU A 212 2.686 -2.855 6.678 1.00 0.00 C ATOM 1703 C LEU A 212 2.848 -2.611 8.174 1.00 0.00 C ATOM 1704 O LEU A 212 2.392 -3.408 8.988 1.00 0.00 O ATOM 1705 CB LEU A 212 1.208 -3.109 6.345 1.00 0.00 C ATOM 1706 CG LEU A 212 0.799 -3.047 4.862 1.00 0.00 C ATOM 1707 CD1 LEU A 212 1.541 -4.074 4.016 1.00 0.00 C ATOM 1708 CD2 LEU A 212 -0.701 -3.257 4.734 1.00 0.00 C ATOM 0 H LEU A 212 2.948 -4.833 6.062 1.00 0.00 H new ATOM 0 HA LEU A 212 3.020 -1.975 6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 212 0.940 -4.094 6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 212 0.609 -2.380 6.891 1.00 0.00 H new ATOM 0 HG LEU A 212 1.070 -2.060 4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 212 1.219 -3.991 2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 212 2.614 -3.890 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 212 1.322 -5.076 4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 212 -0.986 -3.212 3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 212 -0.968 -4.232 5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 212 -1.226 -2.477 5.286 1.00 0.00 H new ATOM 1720 N LYS A 213 3.542 -1.545 8.541 1.00 0.00 N ATOM 1721 CA LYS A 213 3.787 -1.258 9.948 1.00 0.00 C ATOM 1722 C LYS A 213 3.108 0.034 10.390 1.00 0.00 C ATOM 1723 O LYS A 213 2.316 0.030 11.332 1.00 0.00 O ATOM 1724 CB LYS A 213 5.289 -1.209 10.226 1.00 0.00 C ATOM 1725 CG LYS A 213 5.978 -2.531 9.946 1.00 0.00 C ATOM 1726 CD LYS A 213 7.426 -2.531 10.398 1.00 0.00 C ATOM 1727 CE LYS A 213 8.068 -3.889 10.169 1.00 0.00 C ATOM 1728 NZ LYS A 213 7.284 -4.988 10.797 1.00 0.00 N1+ ATOM 0 H LYS A 213 3.943 -0.869 7.891 1.00 0.00 H new ATOM 0 HA LYS A 213 3.349 -2.066 10.534 1.00 0.00 H new ATOM 0 HB2 LYS A 213 5.743 -0.430 9.613 1.00 0.00 H new ATOM 0 HB3 LYS A 213 5.453 -0.931 11.267 1.00 0.00 H new ATOM 0 HG2 LYS A 213 5.441 -3.333 10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 213 5.933 -2.743 8.878 1.00 0.00 H new ATOM 0 HD2 LYS A 213 7.980 -1.766 9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 213 7.481 -2.273 11.456 1.00 0.00 H new ATOM 0 HE2 LYS A 213 8.157 -4.073 9.098 1.00 0.00 H new ATOM 0 HE3 LYS A 213 9.079 -3.886 10.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 213 7.878 -5.838 10.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 213 6.974 -4.695 11.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 213 6.451 -5.199 10.211 1.00 0.00 H new ATOM 1742 N GLN A 214 3.403 1.134 9.714 1.00 0.00 N ATOM 1743 CA GLN A 214 2.803 2.413 10.072 1.00 0.00 C ATOM 1744 C GLN A 214 2.257 3.118 8.836 1.00 0.00 C ATOM 1745 O GLN A 214 2.892 3.134 7.781 1.00 0.00 O ATOM 1746 CB GLN A 214 3.795 3.323 10.822 1.00 0.00 C ATOM 1747 CG GLN A 214 5.038 3.708 10.032 1.00 0.00 C ATOM 1748 CD GLN A 214 6.089 2.617 10.005 1.00 0.00 C ATOM 1749 OE1 GLN A 214 6.216 1.829 10.942 1.00 0.00 O ATOM 1750 NE2 GLN A 214 6.851 2.568 8.931 1.00 0.00 N ATOM 0 H GLN A 214 4.046 1.169 8.923 1.00 0.00 H new ATOM 0 HA GLN A 214 1.975 2.204 10.749 1.00 0.00 H new ATOM 0 HB2 GLN A 214 3.276 4.234 11.120 1.00 0.00 H new ATOM 0 HB3 GLN A 214 4.106 2.820 11.737 1.00 0.00 H new ATOM 0 HG2 GLN A 214 4.750 3.951 9.009 1.00 0.00 H new ATOM 0 HG3 GLN A 214 5.471 4.610 10.465 1.00 0.00 H new ATOM 0 HE21 GLN A 214 6.713 3.240 8.176 1.00 0.00 H new ATOM 0 HE22 GLN A 214 7.579 1.858 8.854 1.00 0.00 H new ATOM 1759 N PRO A 215 1.051 3.686 8.951 1.00 0.00 N ATOM 1760 CA PRO A 215 0.381 4.360 7.840 1.00 0.00 C ATOM 1761 C PRO A 215 1.009 5.706 7.501 1.00 0.00 C ATOM 1762 O PRO A 215 1.355 6.487 8.389 1.00 0.00 O ATOM 1763 CB PRO A 215 -1.044 4.558 8.355 1.00 0.00 C ATOM 1764 CG PRO A 215 -0.908 4.617 9.835 1.00 0.00 C ATOM 1765 CD PRO A 215 0.236 3.707 10.182 1.00 0.00 C ATOM 0 HA PRO A 215 0.446 3.779 6.920 1.00 0.00 H new ATOM 0 HB2 PRO A 215 -1.483 5.475 7.961 1.00 0.00 H new ATOM 0 HB3 PRO A 215 -1.693 3.737 8.050 1.00 0.00 H new ATOM 0 HG2 PRO A 215 -0.711 5.636 10.168 1.00 0.00 H new ATOM 0 HG3 PRO A 215 -1.827 4.293 10.325 1.00 0.00 H new ATOM 0 HD2 PRO A 215 0.804 4.084 11.032 1.00 0.00 H new ATOM 0 HD3 PRO A 215 -0.112 2.709 10.449 1.00 0.00 H new ATOM 1773 N LEU A 216 1.155 5.969 6.211 1.00 0.00 N ATOM 1774 CA LEU A 216 1.656 7.251 5.743 1.00 0.00 C ATOM 1775 C LEU A 216 0.543 8.286 5.850 1.00 0.00 C ATOM 1776 O LEU A 216 -0.334 8.352 4.986 1.00 0.00 O ATOM 1777 CB LEU A 216 2.118 7.145 4.285 1.00 0.00 C ATOM 1778 CG LEU A 216 3.375 7.942 3.908 1.00 0.00 C ATOM 1779 CD1 LEU A 216 3.506 8.034 2.406 1.00 0.00 C ATOM 1780 CD2 LEU A 216 3.372 9.333 4.499 1.00 0.00 C ATOM 0 H LEU A 216 0.932 5.308 5.467 1.00 0.00 H new ATOM 0 HA LEU A 216 2.506 7.549 6.357 1.00 0.00 H new ATOM 0 HB2 LEU A 216 2.299 6.094 4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 216 1.300 7.472 3.643 1.00 0.00 H new ATOM 0 HG LEU A 216 4.228 7.405 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 216 4.401 8.602 2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 216 3.581 7.031 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 216 2.630 8.536 1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 216 4.282 9.856 4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 216 2.503 9.881 4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 216 3.329 9.266 5.586 1.00 0.00 H new ATOM 1792 N ASN A 217 0.572 9.075 6.911 1.00 0.00 N ATOM 1793 CA ASN A 217 -0.466 10.070 7.153 1.00 0.00 C ATOM 1794 C ASN A 217 -0.466 11.121 6.053 1.00 0.00 C ATOM 1795 O ASN A 217 0.592 11.546 5.583 1.00 0.00 O ATOM 1796 CB ASN A 217 -0.271 10.747 8.515 1.00 0.00 C ATOM 1797 CG ASN A 217 -0.315 9.781 9.689 1.00 0.00 C ATOM 1798 OD1 ASN A 217 0.346 10.000 10.701 1.00 0.00 O ATOM 1799 ND2 ASN A 217 -1.095 8.714 9.573 1.00 0.00 N ATOM 0 H ASN A 217 1.303 9.048 7.621 1.00 0.00 H new ATOM 0 HA ASN A 217 -1.427 9.555 7.154 1.00 0.00 H new ATOM 0 HB2 ASN A 217 0.687 11.266 8.519 1.00 0.00 H new ATOM 0 HB3 ASN A 217 -1.044 11.503 8.649 1.00 0.00 H new ATOM 0 HD21 ASN A 217 -1.160 8.044 10.339 1.00 0.00 H new ATOM 0 HD22 ASN A 217 -1.630 8.564 8.718 1.00 0.00 H new ATOM 1806 N THR A 218 -1.659 11.514 5.632 1.00 0.00 N ATOM 1807 CA THR A 218 -1.822 12.523 4.603 1.00 0.00 C ATOM 1808 C THR A 218 -1.231 13.859 5.036 1.00 0.00 C ATOM 1809 O THR A 218 -1.751 14.519 5.935 1.00 0.00 O ATOM 1810 CB THR A 218 -3.309 12.714 4.261 1.00 0.00 C ATOM 1811 OG1 THR A 218 -4.084 12.742 5.468 1.00 0.00 O ATOM 1812 CG2 THR A 218 -3.810 11.599 3.356 1.00 0.00 C ATOM 0 H THR A 218 -2.537 11.142 5.994 1.00 0.00 H new ATOM 0 HA THR A 218 -1.287 12.173 3.720 1.00 0.00 H new ATOM 0 HB THR A 218 -3.419 13.660 3.732 1.00 0.00 H new ATOM 0 HG1 THR A 218 -3.658 13.341 6.116 1.00 0.00 H new ATOM 0 HG21 THR A 218 -4.864 11.760 3.130 1.00 0.00 H new ATOM 0 HG22 THR A 218 -3.237 11.597 2.429 1.00 0.00 H new ATOM 0 HG23 THR A 218 -3.689 10.640 3.859 1.00 0.00 H new ATOM 1820 N THR A 219 -0.142 14.247 4.401 1.00 0.00 N ATOM 1821 CA THR A 219 0.479 15.524 4.688 1.00 0.00 C ATOM 1822 C THR A 219 -0.162 16.609 3.824 1.00 0.00 C ATOM 1823 O THR A 219 0.071 16.691 2.616 1.00 0.00 O ATOM 1824 CB THR A 219 2.013 15.468 4.474 1.00 0.00 C ATOM 1825 OG1 THR A 219 2.582 16.781 4.534 1.00 0.00 O ATOM 1826 CG2 THR A 219 2.370 14.811 3.150 1.00 0.00 C ATOM 0 H THR A 219 0.330 13.696 3.684 1.00 0.00 H new ATOM 0 HA THR A 219 0.314 15.766 5.738 1.00 0.00 H new ATOM 0 HB THR A 219 2.429 14.862 5.278 1.00 0.00 H new ATOM 0 HG1 THR A 219 3.551 16.724 4.398 1.00 0.00 H new ATOM 0 HG21 THR A 219 3.454 14.790 3.035 1.00 0.00 H new ATOM 0 HG22 THR A 219 1.983 13.792 3.133 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.929 15.380 2.331 1.00 0.00 H new ATOM 1947 N ALA B 1 2.166 -5.458 -6.860 1.00 0.00 N ATOM 1948 CA ALA B 1 2.485 -6.739 -6.244 1.00 0.00 C ATOM 1949 C ALA B 1 1.364 -7.753 -6.437 1.00 0.00 C ATOM 1950 O ALA B 1 0.187 -7.453 -6.231 1.00 0.00 O ATOM 1951 CB ALA B 1 2.784 -6.545 -4.756 1.00 0.00 C ATOM 0 H1 ALA B 1 2.924 -5.192 -7.521 1.00 0.00 H new ATOM 0 H2 ALA B 1 1.267 -5.536 -7.377 1.00 0.00 H new ATOM 0 H3 ALA B 1 2.079 -4.730 -6.122 1.00 0.00 H new ATOM 0 HA ALA B 1 3.372 -7.137 -6.738 1.00 0.00 H new ATOM 0 HB1 ALA B 1 3.021 -7.508 -4.304 1.00 0.00 H new ATOM 0 HB2 ALA B 1 3.633 -5.871 -4.640 1.00 0.00 H new ATOM 0 HB3 ALA B 1 1.911 -6.118 -4.262 1.00 0.00 H new ATOM 1957 N THR B 2 1.761 -8.954 -6.837 1.00 0.00 N ATOM 1958 CA THR B 2 0.841 -10.048 -7.103 1.00 0.00 C ATOM 1959 C THR B 2 0.336 -10.657 -5.801 1.00 0.00 C ATOM 1960 O THR B 2 -0.854 -10.951 -5.668 1.00 0.00 O ATOM 1961 CB THR B 2 1.538 -11.137 -7.942 1.00 0.00 C ATOM 1962 OG1 THR B 2 1.909 -10.604 -9.220 1.00 0.00 O ATOM 1963 CG2 THR B 2 0.640 -12.351 -8.128 1.00 0.00 C ATOM 0 H THR B 2 2.740 -9.197 -6.987 1.00 0.00 H new ATOM 0 HA THR B 2 -0.008 -9.649 -7.659 1.00 0.00 H new ATOM 0 HB THR B 2 2.432 -11.457 -7.407 1.00 0.00 H new ATOM 0 HG1 THR B 2 2.353 -11.300 -9.748 1.00 0.00 H new ATOM 0 HG21 THR B 2 1.161 -13.101 -8.724 1.00 0.00 H new ATOM 0 HG22 THR B 2 0.390 -12.771 -7.154 1.00 0.00 H new ATOM 0 HG23 THR B 2 -0.275 -12.052 -8.640 1.00 0.00 H new ATOM 1971 N ILE B 3 1.251 -10.819 -4.843 1.00 0.00 N ATOM 1972 CA ILE B 3 0.939 -11.393 -3.533 1.00 0.00 C ATOM 1973 C ILE B 3 0.593 -12.885 -3.646 1.00 0.00 C ATOM 1974 O ILE B 3 -0.352 -13.264 -4.336 1.00 0.00 O ATOM 1975 CB ILE B 3 -0.234 -10.665 -2.842 1.00 0.00 C ATOM 1976 CG1 ILE B 3 -0.130 -9.143 -3.005 1.00 0.00 C ATOM 1977 CG2 ILE B 3 -0.250 -11.027 -1.370 1.00 0.00 C ATOM 1978 CD1 ILE B 3 1.018 -8.520 -2.250 1.00 0.00 C ATOM 0 H ILE B 3 2.230 -10.556 -4.954 1.00 0.00 H new ATOM 0 HA ILE B 3 1.837 -11.268 -2.927 1.00 0.00 H new ATOM 0 HB ILE B 3 -1.162 -10.985 -3.316 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -0.024 -8.908 -4.064 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -1.062 -8.688 -2.669 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -1.077 -10.515 -0.878 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -0.375 -12.104 -1.262 1.00 0.00 H new ATOM 0 HG23 ILE B 3 0.690 -10.722 -0.910 1.00 0.00 H new ATOM 0 HD11 ILE B 3 1.022 -7.443 -2.417 1.00 0.00 H new ATOM 0 HD12 ILE B 3 0.905 -8.721 -1.185 1.00 0.00 H new ATOM 0 HD13 ILE B 3 1.958 -8.945 -2.602 1.00 0.00 H new ATOM 1990 N VAL B 4 1.356 -13.734 -2.965 1.00 0.00 N ATOM 1991 CA VAL B 4 1.115 -15.179 -3.023 1.00 0.00 C ATOM 1992 C VAL B 4 0.812 -15.792 -1.663 1.00 0.00 C ATOM 1993 O VAL B 4 0.252 -16.886 -1.589 1.00 0.00 O ATOM 1994 CB VAL B 4 2.303 -15.936 -3.648 1.00 0.00 C ATOM 1995 CG1 VAL B 4 2.228 -15.894 -5.164 1.00 0.00 C ATOM 1996 CG2 VAL B 4 3.620 -15.358 -3.168 1.00 0.00 C ATOM 0 H VAL B 4 2.138 -13.455 -2.372 1.00 0.00 H new ATOM 0 HA VAL B 4 0.233 -15.289 -3.655 1.00 0.00 H new ATOM 0 HB VAL B 4 2.247 -16.977 -3.329 1.00 0.00 H new ATOM 0 HG11 VAL B 4 3.076 -16.434 -5.585 1.00 0.00 H new ATOM 0 HG12 VAL B 4 1.300 -16.360 -5.495 1.00 0.00 H new ATOM 0 HG13 VAL B 4 2.254 -14.858 -5.501 1.00 0.00 H new ATOM 0 HG21 VAL B 4 4.445 -15.907 -3.621 1.00 0.00 H new ATOM 0 HG22 VAL B 4 3.682 -14.308 -3.454 1.00 0.00 H new ATOM 0 HG23 VAL B 4 3.681 -15.443 -2.083 1.00 0.00 H new