USER MOD reduce.3.24.130724 H: found=0, std=0, add=347, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 353 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 251 HIS :FLIP no HD1:sc= 0.356 F(o=-2.5,f=-1.7) USER MOD Set 1.2: B 211 TYR OH : rot 4:sc= -2.01! USER MOD Set 2.1: A 250 ASN : amide:sc= 0.843 K(o=1.2,f=-11!) USER MOD Set 2.2: A 253 ASN : amide:sc= 0.402 K(o=1.2,f=-8.2!) USER MOD Single : A 238 GLN : amide:sc= -6.29! C(o=-6.3!,f=-12!) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 241 THR OG1 : rot 73:sc= 0.892 USER MOD Single : A 242 GLN : amide:sc=-0.00101 K(o=-0.001,f=-0.87) USER MOD Single : A 247 TYR OH : rot 165:sc= -0.946 USER MOD Single : A 248 TYR OH : rot -15:sc= -0.997 USER MOD Single : A 252 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.11) USER MOD Single : A 254 LYS NZ :NH3+ 141:sc= -2.2! (180deg=-4.82!) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 THR OG1 : rot -129:sc= 0.0649 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 206 SER OG : rot 31:sc= 0.231 USER MOD Single : B 212 SER OG : rot 180:sc= -0.298 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 9.663 -1.106 -5.682 1.00 15.00 N ATOM 2 CA GLY A 230 11.068 -1.578 -5.578 1.00 15.00 C ATOM 3 C GLY A 230 11.401 -2.031 -4.175 1.00 15.00 C ATOM 4 O GLY A 230 10.621 -2.762 -3.565 1.00 15.00 O ATOM 0 HA2 GLY A 230 11.228 -2.401 -6.274 1.00 15.00 H new ATOM 0 HA3 GLY A 230 11.745 -0.776 -5.872 1.00 15.00 H new ATOM 10 N PRO A 231 12.563 -1.638 -3.641 1.00 15.00 N ATOM 11 CA PRO A 231 12.900 -1.880 -2.244 1.00 15.00 C ATOM 12 C PRO A 231 12.238 -0.856 -1.323 1.00 15.00 C ATOM 13 O PRO A 231 12.577 0.328 -1.344 1.00 15.00 O ATOM 14 CB PRO A 231 14.420 -1.738 -2.215 1.00 15.00 C ATOM 15 CG PRO A 231 14.741 -0.799 -3.332 1.00 15.00 C ATOM 16 CD PRO A 231 13.650 -0.956 -4.364 1.00 15.00 C ATOM 0 HA PRO A 231 12.554 -2.852 -1.892 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.762 -1.344 -1.258 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.909 -2.702 -2.356 1.00 15.00 H new ATOM 0 HG2 PRO A 231 14.787 0.229 -2.972 1.00 15.00 H new ATOM 0 HG3 PRO A 231 15.716 -1.029 -3.762 1.00 15.00 H new ATOM 0 HD2 PRO A 231 13.326 0.010 -4.751 1.00 15.00 H new ATOM 0 HD3 PRO A 231 13.990 -1.543 -5.217 1.00 15.00 H new ATOM 24 N LEU A 232 11.273 -1.308 -0.540 1.00 15.00 N ATOM 25 CA LEU A 232 10.521 -0.416 0.331 1.00 15.00 C ATOM 26 C LEU A 232 11.140 -0.326 1.715 1.00 15.00 C ATOM 27 O LEU A 232 11.913 -1.196 2.107 1.00 15.00 O ATOM 28 CB LEU A 232 9.036 -0.783 0.463 1.00 15.00 C ATOM 29 CG LEU A 232 8.170 -0.420 -0.732 1.00 15.00 C ATOM 30 CD1 LEU A 232 8.346 1.035 -1.118 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.459 -1.325 -1.911 1.00 15.00 C ATOM 0 H LEU A 232 10.991 -2.287 -0.488 1.00 15.00 H new ATOM 0 HA LEU A 232 10.574 0.556 -0.159 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.958 -1.856 0.635 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.633 -0.288 1.347 1.00 15.00 H new ATOM 0 HG LEU A 232 7.130 -0.566 -0.439 1.00 15.00 H new ATOM 0 HD11 LEU A 232 7.713 1.263 -1.976 1.00 15.00 H new ATOM 0 HD12 LEU A 232 8.063 1.671 -0.279 1.00 15.00 H new ATOM 0 HD13 LEU A 232 9.389 1.219 -1.377 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.825 -1.042 -2.751 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.506 -1.226 -2.197 1.00 15.00 H new ATOM 0 HD23 LEU A 232 8.254 -2.359 -1.634 1.00 15.00 H new ATOM 43 N PRO A 233 10.793 0.733 2.485 1.00 15.00 N ATOM 44 CA PRO A 233 11.310 0.950 3.851 1.00 15.00 C ATOM 45 C PRO A 233 10.968 -0.201 4.804 1.00 15.00 C ATOM 46 O PRO A 233 11.394 -0.208 5.960 1.00 15.00 O ATOM 47 CB PRO A 233 10.571 2.223 4.284 1.00 15.00 C ATOM 48 CG PRO A 233 10.323 2.928 3.010 1.00 15.00 C ATOM 49 CD PRO A 233 9.869 1.834 2.105 1.00 15.00 C ATOM 0 HA PRO A 233 12.398 1.020 3.873 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.640 1.990 4.802 1.00 15.00 H new ATOM 0 HB3 PRO A 233 11.173 2.825 4.965 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.564 3.703 3.119 1.00 15.00 H new ATOM 0 HG3 PRO A 233 11.224 3.414 2.636 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.825 1.570 2.273 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.964 2.105 1.054 1.00 15.00 H new ATOM 57 N ASP A 234 10.114 -1.107 4.324 1.00 15.00 N ATOM 58 CA ASP A 234 9.707 -2.321 5.046 1.00 15.00 C ATOM 59 C ASP A 234 8.592 -2.014 6.026 1.00 15.00 C ATOM 60 O ASP A 234 8.195 -2.860 6.827 1.00 15.00 O ATOM 61 CB ASP A 234 10.883 -2.992 5.776 1.00 15.00 C ATOM 62 CG ASP A 234 11.922 -3.568 4.834 1.00 15.00 C ATOM 63 OD1 ASP A 234 11.602 -4.518 4.092 1.00 15.00 O ATOM 64 OD2 ASP A 234 13.076 -3.084 4.844 1.00 15.00 O1- ATOM 0 H ASP A 234 9.676 -1.019 3.407 1.00 15.00 H new ATOM 0 HA ASP A 234 9.343 -3.025 4.297 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.360 -2.262 6.430 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.499 -3.788 6.414 1.00 15.00 H new ATOM 69 N GLY A 235 8.054 -0.813 5.928 1.00 15.00 N ATOM 70 CA GLY A 235 6.855 -0.492 6.660 1.00 15.00 C ATOM 71 C GLY A 235 5.632 -0.944 5.896 1.00 15.00 C ATOM 72 O GLY A 235 4.630 -1.351 6.483 1.00 15.00 O ATOM 0 H GLY A 235 8.426 -0.056 5.355 1.00 15.00 H new ATOM 0 HA2 GLY A 235 6.879 -0.973 7.638 1.00 15.00 H new ATOM 0 HA3 GLY A 235 6.805 0.583 6.835 1.00 15.00 H new ATOM 76 N TRP A 236 5.750 -0.917 4.575 1.00 15.00 N ATOM 77 CA TRP A 236 4.639 -1.219 3.689 1.00 15.00 C ATOM 78 C TRP A 236 4.989 -2.158 2.555 1.00 15.00 C ATOM 79 O TRP A 236 6.112 -2.176 2.050 1.00 15.00 O ATOM 80 CB TRP A 236 3.979 0.054 3.155 1.00 15.00 C ATOM 81 CG TRP A 236 4.862 1.262 3.011 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.203 1.330 2.752 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.415 2.614 3.148 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.606 2.645 2.737 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.525 3.449 2.977 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.170 3.189 3.406 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.430 4.839 3.060 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.073 4.563 3.484 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.198 5.375 3.315 1.00 15.00 C ATOM 0 H TRP A 236 6.617 -0.685 4.091 1.00 15.00 H new ATOM 0 HA TRP A 236 3.920 -1.753 4.311 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.547 -0.170 2.180 1.00 15.00 H new ATOM 0 HB3 TRP A 236 3.153 0.313 3.818 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.848 0.480 2.585 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.559 2.969 2.573 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.297 2.569 3.542 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.298 5.468 2.928 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.113 5.018 3.679 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.092 6.447 3.387 1.00 15.00 H new ATOM 100 N GLU A 237 3.969 -2.911 2.155 1.00 15.00 N ATOM 101 CA GLU A 237 4.084 -3.958 1.158 1.00 15.00 C ATOM 102 C GLU A 237 3.066 -3.658 0.053 1.00 15.00 C ATOM 103 O GLU A 237 1.953 -3.214 0.350 1.00 15.00 O ATOM 104 CB GLU A 237 3.778 -5.291 1.857 1.00 15.00 C ATOM 105 CG GLU A 237 4.491 -6.503 1.285 1.00 15.00 C ATOM 106 CD GLU A 237 4.015 -6.902 -0.094 1.00 15.00 C ATOM 107 OE1 GLU A 237 3.070 -7.717 -0.181 1.00 15.00 O1- ATOM 108 OE2 GLU A 237 4.595 -6.422 -1.091 1.00 15.00 O ATOM 0 H GLU A 237 3.024 -2.805 2.524 1.00 15.00 H new ATOM 0 HA GLU A 237 5.078 -4.011 0.714 1.00 15.00 H new ATOM 0 HB2 GLU A 237 4.042 -5.199 2.911 1.00 15.00 H new ATOM 0 HB3 GLU A 237 2.703 -5.468 1.812 1.00 15.00 H new ATOM 0 HG2 GLU A 237 5.560 -6.297 1.244 1.00 15.00 H new ATOM 0 HG3 GLU A 237 4.355 -7.345 1.963 1.00 15.00 H new ATOM 115 N GLN A 238 3.425 -3.906 -1.202 1.00 15.00 N ATOM 116 CA GLN A 238 2.580 -3.504 -2.327 1.00 15.00 C ATOM 117 C GLN A 238 1.580 -4.615 -2.701 1.00 15.00 C ATOM 118 O GLN A 238 1.980 -5.703 -3.120 1.00 15.00 O ATOM 119 CB GLN A 238 3.451 -3.138 -3.545 1.00 15.00 C ATOM 120 CG GLN A 238 2.653 -2.880 -4.810 1.00 15.00 C ATOM 121 CD GLN A 238 1.702 -1.720 -4.659 1.00 15.00 C ATOM 122 OE1 GLN A 238 0.582 -1.887 -4.194 1.00 15.00 O ATOM 123 NE2 GLN A 238 2.130 -0.544 -5.079 1.00 15.00 N ATOM 0 H GLN A 238 4.288 -4.380 -1.468 1.00 15.00 H new ATOM 0 HA GLN A 238 2.009 -2.627 -2.022 1.00 15.00 H new ATOM 0 HB2 GLN A 238 4.037 -2.250 -3.308 1.00 15.00 H new ATOM 0 HB3 GLN A 238 4.158 -3.946 -3.731 1.00 15.00 H new ATOM 0 HG2 GLN A 238 3.337 -2.681 -5.635 1.00 15.00 H new ATOM 0 HG3 GLN A 238 2.091 -3.776 -5.072 1.00 15.00 H new ATOM 0 HE21 GLN A 238 3.072 -0.450 -5.460 1.00 15.00 H new ATOM 0 HE22 GLN A 238 1.519 0.271 -5.023 1.00 15.00 H new ATOM 132 N ALA A 239 0.277 -4.338 -2.558 1.00 15.00 N ATOM 133 CA ALA A 239 -0.758 -5.307 -2.900 1.00 15.00 C ATOM 134 C ALA A 239 -1.695 -4.738 -3.964 1.00 15.00 C ATOM 135 O ALA A 239 -1.915 -3.535 -4.025 1.00 15.00 O ATOM 136 CB ALA A 239 -1.539 -5.711 -1.657 1.00 15.00 C ATOM 0 H ALA A 239 -0.080 -3.449 -2.207 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.278 -6.196 -3.308 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -2.307 -6.434 -1.929 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -0.861 -6.158 -0.930 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.009 -4.830 -1.220 1.00 15.00 H new ATOM 142 N MET A 240 -2.249 -5.603 -4.798 1.00 15.00 N ATOM 143 CA MET A 240 -3.100 -5.161 -5.900 1.00 15.00 C ATOM 144 C MET A 240 -4.572 -5.381 -5.576 1.00 15.00 C ATOM 145 O MET A 240 -4.958 -6.463 -5.136 1.00 15.00 O ATOM 146 CB MET A 240 -2.737 -5.923 -7.178 1.00 15.00 C ATOM 147 CG MET A 240 -1.303 -5.712 -7.632 1.00 15.00 C ATOM 148 SD MET A 240 -0.895 -6.646 -9.118 1.00 15.00 S ATOM 149 CE MET A 240 0.803 -6.138 -9.379 1.00 15.00 C ATOM 0 H MET A 240 -2.127 -6.614 -4.736 1.00 15.00 H new ATOM 0 HA MET A 240 -2.934 -4.094 -6.050 1.00 15.00 H new ATOM 0 HB2 MET A 240 -2.903 -6.988 -7.015 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.410 -5.614 -7.978 1.00 15.00 H new ATOM 0 HG2 MET A 240 -1.139 -4.651 -7.819 1.00 15.00 H new ATOM 0 HG3 MET A 240 -0.626 -6.003 -6.829 1.00 15.00 H new ATOM 0 HE1 MET A 240 1.199 -6.633 -10.266 1.00 15.00 H new ATOM 0 HE2 MET A 240 0.842 -5.058 -9.518 1.00 15.00 H new ATOM 0 HE3 MET A 240 1.403 -6.414 -8.512 1.00 15.00 H new ATOM 159 N THR A 241 -5.393 -4.362 -5.798 1.00 15.00 N ATOM 160 CA THR A 241 -6.830 -4.505 -5.631 1.00 15.00 C ATOM 161 C THR A 241 -7.499 -4.682 -6.993 1.00 15.00 C ATOM 162 O THR A 241 -7.022 -4.146 -8.007 1.00 15.00 O ATOM 163 CB THR A 241 -7.465 -3.308 -4.876 1.00 15.00 C ATOM 164 OG1 THR A 241 -8.854 -3.564 -4.636 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.323 -2.010 -5.656 1.00 15.00 C ATOM 0 H THR A 241 -5.089 -3.434 -6.092 1.00 15.00 H new ATOM 0 HA THR A 241 -6.996 -5.392 -5.020 1.00 15.00 H new ATOM 0 HB THR A 241 -6.934 -3.198 -3.930 1.00 15.00 H new ATOM 0 HG1 THR A 241 -8.945 -4.236 -3.929 1.00 15.00 H new ATOM 0 HG21 THR A 241 -7.780 -1.196 -5.094 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.266 -1.794 -5.813 1.00 15.00 H new ATOM 0 HG23 THR A 241 -7.821 -2.109 -6.621 1.00 15.00 H new ATOM 173 N GLN A 242 -8.617 -5.412 -6.997 1.00 15.00 N ATOM 174 CA GLN A 242 -9.300 -5.818 -8.227 1.00 15.00 C ATOM 175 C GLN A 242 -9.847 -4.616 -9.006 1.00 15.00 C ATOM 176 O GLN A 242 -10.281 -4.751 -10.152 1.00 15.00 O ATOM 177 CB GLN A 242 -10.427 -6.807 -7.893 1.00 15.00 C ATOM 178 CG GLN A 242 -11.025 -7.506 -9.106 1.00 15.00 C ATOM 179 CD GLN A 242 -12.023 -8.585 -8.730 1.00 15.00 C ATOM 180 OE1 GLN A 242 -11.916 -9.214 -7.676 1.00 15.00 O ATOM 181 NE2 GLN A 242 -12.999 -8.814 -9.593 1.00 15.00 N ATOM 0 H GLN A 242 -9.075 -5.739 -6.146 1.00 15.00 H new ATOM 0 HA GLN A 242 -8.569 -6.307 -8.871 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -10.042 -7.561 -7.207 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -11.219 -6.273 -7.368 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -11.517 -6.768 -9.739 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -10.223 -7.949 -9.696 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -13.055 -8.272 -10.456 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -13.696 -9.532 -9.396 1.00 15.00 H new ATOM 190 N ASP A 243 -9.814 -3.438 -8.388 1.00 15.00 N ATOM 191 CA ASP A 243 -10.220 -2.206 -9.065 1.00 15.00 C ATOM 192 C ASP A 243 -9.168 -1.804 -10.101 1.00 15.00 C ATOM 193 O ASP A 243 -9.376 -0.901 -10.910 1.00 15.00 O ATOM 194 CB ASP A 243 -10.431 -1.079 -8.044 1.00 15.00 C ATOM 195 CG ASP A 243 -10.926 0.214 -8.675 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.078 0.242 -9.163 1.00 15.00 O1- ATOM 197 OD2 ASP A 243 -10.172 1.208 -8.685 1.00 15.00 O ATOM 0 H ASP A 243 -9.512 -3.309 -7.422 1.00 15.00 H new ATOM 0 HA ASP A 243 -11.165 -2.383 -9.579 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.149 -1.408 -7.293 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -9.492 -0.887 -7.525 1.00 15.00 H new ATOM 202 N GLY A 244 -8.034 -2.495 -10.073 1.00 15.00 N ATOM 203 CA GLY A 244 -6.971 -2.224 -11.019 1.00 15.00 C ATOM 204 C GLY A 244 -5.950 -1.242 -10.485 1.00 15.00 C ATOM 205 O GLY A 244 -5.265 -0.573 -11.256 1.00 15.00 O ATOM 0 H GLY A 244 -7.833 -3.242 -9.408 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -6.471 -3.158 -11.275 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -7.401 -1.830 -11.940 1.00 15.00 H new ATOM 209 N GLU A 245 -5.830 -1.174 -9.166 1.00 15.00 N ATOM 210 CA GLU A 245 -4.913 -0.231 -8.527 1.00 15.00 C ATOM 211 C GLU A 245 -4.077 -0.942 -7.479 1.00 15.00 C ATOM 212 O GLU A 245 -4.527 -1.912 -6.864 1.00 15.00 O ATOM 213 CB GLU A 245 -5.673 0.929 -7.876 1.00 15.00 C ATOM 214 CG GLU A 245 -6.305 1.898 -8.866 1.00 15.00 C ATOM 215 CD GLU A 245 -5.281 2.767 -9.574 1.00 15.00 C ATOM 216 OE1 GLU A 245 -4.536 2.248 -10.432 1.00 15.00 O ATOM 217 OE2 GLU A 245 -5.220 3.980 -9.278 1.00 15.00 O1- ATOM 0 H GLU A 245 -6.354 -1.759 -8.515 1.00 15.00 H new ATOM 0 HA GLU A 245 -4.261 0.175 -9.300 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.455 0.522 -7.235 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -4.988 1.481 -7.232 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -6.872 1.335 -9.607 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -7.015 2.536 -8.340 1.00 15.00 H new ATOM 224 N ILE A 246 -2.870 -0.456 -7.268 1.00 15.00 N ATOM 225 CA ILE A 246 -1.975 -1.057 -6.298 1.00 15.00 C ATOM 226 C ILE A 246 -1.835 -0.158 -5.065 1.00 15.00 C ATOM 227 O ILE A 246 -1.647 1.050 -5.190 1.00 15.00 O ATOM 228 CB ILE A 246 -0.593 -1.341 -6.926 1.00 15.00 C ATOM 229 CG1 ILE A 246 0.064 -0.049 -7.425 1.00 15.00 C ATOM 230 CG2 ILE A 246 -0.733 -2.347 -8.059 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.254 -0.284 -8.335 1.00 15.00 C ATOM 0 H ILE A 246 -2.486 0.354 -7.755 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.405 -2.008 -5.983 1.00 15.00 H new ATOM 0 HB ILE A 246 0.054 -1.764 -6.158 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.679 0.544 -7.959 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.385 0.540 -6.566 1.00 15.00 H new ATOM 0 HG21 ILE A 246 0.246 -2.541 -8.496 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -1.148 -3.277 -7.671 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.398 -1.944 -8.823 1.00 15.00 H new ATOM 0 HD11 ILE A 246 1.667 0.675 -8.649 1.00 15.00 H new ATOM 0 HD12 ILE A 246 2.016 -0.850 -7.799 1.00 15.00 H new ATOM 0 HD13 ILE A 246 0.935 -0.846 -9.213 1.00 15.00 H new ATOM 243 N TYR A 247 -1.943 -0.748 -3.878 1.00 15.00 N ATOM 244 CA TYR A 247 -1.910 0.013 -2.637 1.00 15.00 C ATOM 245 C TYR A 247 -0.911 -0.610 -1.644 1.00 15.00 C ATOM 246 O TYR A 247 -0.861 -1.835 -1.493 1.00 15.00 O ATOM 247 CB TYR A 247 -3.314 0.070 -2.007 1.00 15.00 C ATOM 248 CG TYR A 247 -3.878 -1.283 -1.604 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.367 -2.169 -2.557 1.00 15.00 C ATOM 250 CD2 TYR A 247 -3.912 -1.674 -0.270 1.00 15.00 C ATOM 251 CE1 TYR A 247 -4.873 -3.401 -2.194 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.415 -2.909 0.100 1.00 15.00 C ATOM 253 CZ TYR A 247 -4.892 -3.767 -0.867 1.00 15.00 C ATOM 254 OH TYR A 247 -5.391 -4.996 -0.508 1.00 15.00 O ATOM 0 H TYR A 247 -2.054 -1.754 -3.751 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.584 1.028 -2.867 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.278 0.712 -1.127 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -3.998 0.539 -2.715 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.351 -1.889 -3.600 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.540 -1.003 0.490 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.252 -4.075 -2.948 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.434 -3.199 1.140 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.121 -5.203 0.411 1.00 15.00 H new ATOM 264 N TYR A 248 -0.141 0.226 -0.952 1.00 15.00 N ATOM 265 CA TYR A 248 0.801 -0.237 0.053 1.00 15.00 C ATOM 266 C TYR A 248 0.146 -0.306 1.418 1.00 15.00 C ATOM 267 O TYR A 248 -0.407 0.686 1.903 1.00 15.00 O ATOM 268 CB TYR A 248 2.008 0.698 0.137 1.00 15.00 C ATOM 269 CG TYR A 248 3.057 0.433 -0.905 1.00 15.00 C ATOM 270 CD1 TYR A 248 2.946 0.948 -2.190 1.00 15.00 C ATOM 271 CD2 TYR A 248 4.161 -0.343 -0.601 1.00 15.00 C ATOM 272 CE1 TYR A 248 3.908 0.690 -3.140 1.00 15.00 C ATOM 273 CE2 TYR A 248 5.121 -0.602 -1.545 1.00 15.00 C ATOM 274 CZ TYR A 248 4.991 -0.089 -2.815 1.00 15.00 C ATOM 275 OH TYR A 248 5.951 -0.356 -3.764 1.00 15.00 O ATOM 0 H TYR A 248 -0.155 1.239 -1.074 1.00 15.00 H new ATOM 0 HA TYR A 248 1.129 -1.233 -0.244 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.665 1.728 0.039 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.459 0.605 1.125 1.00 15.00 H new ATOM 0 HD1 TYR A 248 2.093 1.559 -2.447 1.00 15.00 H new ATOM 0 HD2 TYR A 248 4.268 -0.750 0.393 1.00 15.00 H new ATOM 0 HE1 TYR A 248 3.812 1.098 -4.135 1.00 15.00 H new ATOM 0 HE2 TYR A 248 5.978 -1.208 -1.292 1.00 15.00 H new ATOM 0 HH TYR A 248 5.604 -0.132 -4.653 1.00 15.00 H new ATOM 285 N ILE A 249 0.213 -1.471 2.035 1.00 15.00 N ATOM 286 CA ILE A 249 -0.258 -1.638 3.395 1.00 15.00 C ATOM 287 C ILE A 249 0.886 -1.403 4.378 1.00 15.00 C ATOM 288 O ILE A 249 1.806 -2.218 4.490 1.00 15.00 O ATOM 289 CB ILE A 249 -0.878 -3.037 3.616 1.00 15.00 C ATOM 290 CG1 ILE A 249 0.054 -4.146 3.109 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.226 -3.123 2.921 1.00 15.00 C ATOM 292 CD1 ILE A 249 -0.502 -5.540 3.303 1.00 15.00 C ATOM 0 H ILE A 249 0.591 -2.319 1.612 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.040 -0.900 3.571 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.017 -3.182 4.687 1.00 15.00 H new ATOM 0 HG12 ILE A 249 0.251 -3.987 2.049 1.00 15.00 H new ATOM 0 HG13 ILE A 249 1.010 -4.070 3.626 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -2.656 -4.112 3.082 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -2.895 -2.366 3.330 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.096 -2.953 1.852 1.00 15.00 H new ATOM 0 HD11 ILE A 249 0.210 -6.272 2.922 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -0.673 -5.719 4.364 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -1.444 -5.634 2.763 1.00 15.00 H new ATOM 304 N ASN A 250 0.842 -0.280 5.083 1.00 15.00 N ATOM 305 CA ASN A 250 1.906 0.050 6.022 1.00 15.00 C ATOM 306 C ASN A 250 1.563 -0.532 7.399 1.00 15.00 C ATOM 307 O ASN A 250 0.613 -0.066 8.029 1.00 15.00 O ATOM 308 CB ASN A 250 2.094 1.569 6.132 1.00 15.00 C ATOM 309 CG ASN A 250 3.311 1.959 6.962 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.719 1.248 7.880 1.00 15.00 O ATOM 311 ND2 ASN A 250 3.899 3.102 6.646 1.00 15.00 N ATOM 0 H ASN A 250 0.092 0.409 5.024 1.00 15.00 H new ATOM 0 HA ASN A 250 2.839 -0.381 5.657 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.193 1.991 5.132 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.201 2.009 6.577 1.00 15.00 H new ATOM 0 HD21 ASN A 250 4.716 3.417 7.169 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.535 3.668 5.879 1.00 15.00 H new ATOM 318 N HIS A 251 2.323 -1.542 7.869 1.00 15.00 N ATOM 319 CA HIS A 251 1.991 -2.244 9.100 1.00 15.00 C ATOM 320 C HIS A 251 2.547 -1.501 10.308 1.00 15.00 C ATOM 321 O HIS A 251 2.106 -1.710 11.441 1.00 15.00 O ATOM 322 CB HIS A 251 2.556 -3.670 9.072 1.00 15.00 C ATOM 323 CG HIS A 251 2.093 -4.502 7.909 1.00 15.00 C ATOM 324 ND1 HIS A 251 0.992 -5.277 7.755 1.00 15.00 N flip ATOM 325 CD2 HIS A 251 2.809 -4.628 6.734 1.00 15.00 C flip ATOM 326 CE1 HIS A 251 1.063 -5.851 6.509 1.00 15.00 C flip ATOM 327 NE2 HIS A 251 2.168 -5.439 5.916 1.00 15.00 N flip ATOM 0 H HIS A 251 3.167 -1.880 7.407 1.00 15.00 H new ATOM 0 HA HIS A 251 0.905 -2.290 9.180 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.644 -3.615 9.053 1.00 15.00 H new ATOM 0 HB3 HIS A 251 2.278 -4.175 9.997 1.00 15.00 H new ATOM 0 HD2 HIS A 251 3.747 -4.138 6.519 1.00 15.00 H new ATOM 0 HE1 HIS A 251 0.335 -6.527 6.085 1.00 15.00 H new ATOM 0 HE2 HIS A 251 2.475 -5.704 4.980 1.00 15.00 H new ATOM 336 N LYS A 252 3.532 -0.649 10.063 1.00 15.00 N ATOM 337 CA LYS A 252 4.153 0.117 11.133 1.00 15.00 C ATOM 338 C LYS A 252 3.339 1.364 11.444 1.00 15.00 C ATOM 339 O LYS A 252 3.045 1.653 12.602 1.00 15.00 O ATOM 340 CB LYS A 252 5.594 0.512 10.774 1.00 15.00 C ATOM 341 CG LYS A 252 6.635 -0.567 11.049 1.00 15.00 C ATOM 342 CD LYS A 252 6.570 -1.716 10.054 1.00 15.00 C ATOM 343 CE LYS A 252 7.678 -2.725 10.316 1.00 15.00 C ATOM 344 NZ LYS A 252 7.704 -3.814 9.307 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.917 -0.471 9.135 1.00 15.00 H new ATOM 0 HA LYS A 252 4.181 -0.520 12.017 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.632 0.774 9.717 1.00 15.00 H new ATOM 0 HB3 LYS A 252 5.862 1.408 11.334 1.00 15.00 H new ATOM 0 HG2 LYS A 252 7.630 -0.122 11.019 1.00 15.00 H new ATOM 0 HG3 LYS A 252 6.491 -0.956 12.057 1.00 15.00 H new ATOM 0 HD2 LYS A 252 5.600 -2.209 10.124 1.00 15.00 H new ATOM 0 HD3 LYS A 252 6.658 -1.329 9.039 1.00 15.00 H new ATOM 0 HE2 LYS A 252 8.640 -2.212 10.317 1.00 15.00 H new ATOM 0 HE3 LYS A 252 7.545 -3.156 11.308 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 8.516 -4.437 9.490 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 6.824 -4.365 9.368 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 7.790 -3.403 8.355 1.00 15.00 H new ATOM 358 N ASN A 253 2.964 2.094 10.404 1.00 15.00 N ATOM 359 CA ASN A 253 2.252 3.355 10.580 1.00 15.00 C ATOM 360 C ASN A 253 0.749 3.174 10.423 1.00 15.00 C ATOM 361 O ASN A 253 -0.014 4.104 10.681 1.00 15.00 O ATOM 362 CB ASN A 253 2.760 4.404 9.589 1.00 15.00 C ATOM 363 CG ASN A 253 4.247 4.665 9.732 1.00 15.00 C ATOM 364 OD1 ASN A 253 5.067 4.010 9.088 1.00 15.00 O ATOM 365 ND2 ASN A 253 4.607 5.621 10.572 1.00 15.00 N ATOM 0 H ASN A 253 3.139 1.838 9.432 1.00 15.00 H new ATOM 0 HA ASN A 253 2.447 3.702 11.595 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.549 4.072 8.573 1.00 15.00 H new ATOM 0 HB3 ASN A 253 2.215 5.336 9.739 1.00 15.00 H new ATOM 0 HD21 ASN A 253 5.595 5.838 10.705 1.00 15.00 H new ATOM 0 HD22 ASN A 253 3.897 6.141 11.087 1.00 15.00 H new ATOM 372 N LYS A 254 0.333 1.983 9.983 1.00 15.00 N ATOM 373 CA LYS A 254 -1.090 1.647 9.856 1.00 15.00 C ATOM 374 C LYS A 254 -1.780 2.583 8.852 1.00 15.00 C ATOM 375 O LYS A 254 -2.855 3.120 9.113 1.00 15.00 O ATOM 376 CB LYS A 254 -1.758 1.735 11.236 1.00 15.00 C ATOM 377 CG LYS A 254 -3.133 1.096 11.327 1.00 15.00 C ATOM 378 CD LYS A 254 -3.781 1.319 12.690 1.00 15.00 C ATOM 379 CE LYS A 254 -3.075 0.560 13.815 1.00 15.00 C ATOM 380 NZ LYS A 254 -1.740 1.127 14.152 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.965 1.231 9.707 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.187 0.629 9.479 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.105 1.262 11.970 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -1.843 2.785 11.515 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -3.776 1.508 10.549 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.048 0.026 11.137 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -3.777 2.385 12.919 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -4.824 1.006 12.646 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -3.704 0.573 14.705 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -2.957 -0.484 13.523 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -1.600 1.097 15.182 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -0.998 0.568 13.685 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -1.689 2.113 13.824 1.00 15.00 H new ATOM 394 N THR A 255 -1.176 2.734 7.683 1.00 15.00 N ATOM 395 CA THR A 255 -1.660 3.713 6.712 1.00 15.00 C ATOM 396 C THR A 255 -1.457 3.215 5.273 1.00 15.00 C ATOM 397 O THR A 255 -0.549 2.424 5.009 1.00 15.00 O ATOM 398 CB THR A 255 -0.972 5.085 6.915 1.00 15.00 C ATOM 399 OG1 THR A 255 -1.620 6.092 6.126 1.00 15.00 O ATOM 400 CG2 THR A 255 0.506 5.029 6.551 1.00 15.00 C ATOM 0 H THR A 255 -0.360 2.201 7.383 1.00 15.00 H new ATOM 0 HA THR A 255 -2.730 3.840 6.878 1.00 15.00 H new ATOM 0 HB THR A 255 -1.057 5.338 7.972 1.00 15.00 H new ATOM 0 HG1 THR A 255 -1.175 6.954 6.266 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.956 6.010 6.706 1.00 15.00 H new ATOM 0 HG22 THR A 255 1.008 4.295 7.181 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.612 4.742 5.505 1.00 15.00 H new ATOM 408 N THR A 256 -2.326 3.639 4.358 1.00 15.00 N ATOM 409 CA THR A 256 -2.257 3.187 2.974 1.00 15.00 C ATOM 410 C THR A 256 -1.669 4.268 2.057 1.00 15.00 C ATOM 411 O THR A 256 -1.990 5.452 2.188 1.00 15.00 O ATOM 412 CB THR A 256 -3.658 2.800 2.457 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.447 2.261 3.528 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.549 1.768 1.345 1.00 15.00 C ATOM 0 H THR A 256 -3.084 4.294 4.551 1.00 15.00 H new ATOM 0 HA THR A 256 -1.603 2.315 2.955 1.00 15.00 H new ATOM 0 HB THR A 256 -4.138 3.697 2.066 1.00 15.00 H new ATOM 0 HG1 THR A 256 -4.834 1.405 3.250 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.547 1.507 0.992 1.00 15.00 H new ATOM 0 HG22 THR A 256 -2.969 2.182 0.520 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.053 0.875 1.725 1.00 15.00 H new ATOM 422 N SER A 257 -0.803 3.849 1.138 1.00 15.00 N ATOM 423 CA SER A 257 -0.227 4.746 0.136 1.00 15.00 C ATOM 424 C SER A 257 -0.039 3.982 -1.171 1.00 15.00 C ATOM 425 O SER A 257 0.537 2.912 -1.170 1.00 15.00 O ATOM 426 CB SER A 257 1.116 5.300 0.627 1.00 15.00 C ATOM 427 OG SER A 257 1.704 6.158 -0.338 1.00 15.00 O ATOM 0 H SER A 257 -0.481 2.884 1.065 1.00 15.00 H new ATOM 0 HA SER A 257 -0.902 5.586 -0.029 1.00 15.00 H new ATOM 0 HB2 SER A 257 0.968 5.845 1.559 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.794 4.475 0.845 1.00 15.00 H new ATOM 0 HG SER A 257 2.558 6.497 0.003 1.00 15.00 H new ATOM 433 N TRP A 258 -0.486 4.552 -2.284 1.00 15.00 N ATOM 434 CA TRP A 258 -0.558 3.821 -3.555 1.00 15.00 C ATOM 435 C TRP A 258 0.801 3.297 -4.042 1.00 15.00 C ATOM 436 O TRP A 258 0.972 2.102 -4.272 1.00 15.00 O ATOM 437 CB TRP A 258 -1.150 4.711 -4.652 1.00 15.00 C ATOM 438 CG TRP A 258 -2.589 5.088 -4.450 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.079 6.331 -4.167 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.728 4.220 -4.541 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.450 6.287 -4.082 1.00 15.00 N ATOM 442 CE2 TRP A 258 -4.871 5.005 -4.306 1.00 15.00 C ATOM 443 CE3 TRP A 258 -3.891 2.858 -4.799 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.156 4.471 -4.327 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -5.165 2.330 -4.815 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.283 3.135 -4.583 1.00 15.00 C ATOM 0 H TRP A 258 -0.806 5.519 -2.338 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.197 2.960 -3.359 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.556 5.623 -4.720 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -1.055 4.197 -5.608 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -2.478 7.218 -4.030 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.056 7.083 -3.884 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -3.033 2.228 -4.983 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.022 5.091 -4.147 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -5.301 1.276 -5.010 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -7.268 2.692 -4.606 1.00 15.00 H new ATOM 457 N LEU A 259 1.755 4.197 -4.221 1.00 15.00 N ATOM 458 CA LEU A 259 2.976 3.879 -4.955 1.00 15.00 C ATOM 459 C LEU A 259 4.251 4.035 -4.139 1.00 15.00 C ATOM 460 O LEU A 259 4.270 4.714 -3.110 1.00 15.00 O ATOM 461 CB LEU A 259 3.053 4.662 -6.259 1.00 15.00 C ATOM 462 CG LEU A 259 2.397 3.949 -7.442 1.00 15.00 C ATOM 463 CD1 LEU A 259 2.572 4.761 -8.715 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.988 2.550 -7.602 1.00 15.00 C ATOM 0 H LEU A 259 1.710 5.153 -3.870 1.00 15.00 H new ATOM 0 HA LEU A 259 2.910 2.816 -5.188 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.575 5.631 -6.119 1.00 15.00 H new ATOM 0 HB3 LEU A 259 4.099 4.854 -6.496 1.00 15.00 H new ATOM 0 HG LEU A 259 1.329 3.852 -7.249 1.00 15.00 H new ATOM 0 HD11 LEU A 259 2.099 4.239 -9.547 1.00 15.00 H new ATOM 0 HD12 LEU A 259 2.108 5.739 -8.589 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.635 4.888 -8.923 1.00 15.00 H new ATOM 0 HD21 LEU A 259 2.515 2.050 -8.447 1.00 15.00 H new ATOM 0 HD22 LEU A 259 4.061 2.626 -7.780 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.811 1.974 -6.694 1.00 15.00 H new ATOM 476 N ASP A 260 5.307 3.384 -4.638 1.00 15.00 N ATOM 477 CA ASP A 260 6.585 3.243 -3.940 1.00 15.00 C ATOM 478 C ASP A 260 7.200 4.603 -3.630 1.00 15.00 C ATOM 479 O ASP A 260 7.575 5.363 -4.529 1.00 15.00 O ATOM 480 CB ASP A 260 7.548 2.436 -4.828 1.00 15.00 C ATOM 481 CG ASP A 260 8.909 2.175 -4.195 1.00 15.00 C ATOM 482 OD1 ASP A 260 9.573 3.139 -3.752 1.00 15.00 O ATOM 483 OD2 ASP A 260 9.331 1.000 -4.169 1.00 15.00 O1- ATOM 0 H ASP A 260 5.295 2.934 -5.553 1.00 15.00 H new ATOM 0 HA ASP A 260 6.412 2.728 -2.995 1.00 15.00 H new ATOM 0 HB2 ASP A 260 7.084 1.480 -5.073 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.693 2.970 -5.767 1.00 15.00 H new ATOM 488 N PRO A 261 7.268 4.930 -2.331 1.00 15.00 N ATOM 489 CA PRO A 261 7.792 6.205 -1.840 1.00 15.00 C ATOM 490 C PRO A 261 9.319 6.267 -1.787 1.00 15.00 C ATOM 491 O PRO A 261 9.896 7.344 -1.660 1.00 15.00 O ATOM 492 CB PRO A 261 7.214 6.274 -0.429 1.00 15.00 C ATOM 493 CG PRO A 261 7.159 4.852 0.009 1.00 15.00 C ATOM 494 CD PRO A 261 6.823 4.061 -1.223 1.00 15.00 C ATOM 0 HA PRO A 261 7.517 7.031 -2.496 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.843 6.871 0.231 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.225 6.731 -0.425 1.00 15.00 H new ATOM 0 HG2 PRO A 261 8.113 4.535 0.430 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.405 4.710 0.784 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.339 3.101 -1.235 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.755 3.850 -1.284 1.00 15.00 H new ATOM 502 N ARG A 262 9.966 5.109 -1.839 1.00 15.00 N ATOM 503 CA ARG A 262 11.414 5.034 -1.665 1.00 15.00 C ATOM 504 C ARG A 262 12.144 5.401 -2.955 1.00 15.00 C ATOM 505 O ARG A 262 13.224 5.998 -2.925 1.00 15.00 O ATOM 506 CB ARG A 262 11.818 3.640 -1.171 1.00 15.00 C ATOM 507 CG ARG A 262 13.322 3.416 -1.068 1.00 15.00 C ATOM 508 CD ARG A 262 13.974 4.357 -0.068 1.00 15.00 C ATOM 509 NE ARG A 262 15.386 4.033 0.141 1.00 15.00 N ATOM 510 CZ ARG A 262 16.307 4.905 0.545 1.00 15.00 C ATOM 511 NH1 ARG A 262 15.985 6.173 0.771 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 17.562 4.498 0.720 1.00 15.00 N ATOM 0 H ARG A 262 9.513 4.209 -2.000 1.00 15.00 H new ATOM 0 HA ARG A 262 11.709 5.762 -0.909 1.00 15.00 H new ATOM 0 HB2 ARG A 262 11.371 3.472 -0.191 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.398 2.894 -1.845 1.00 15.00 H new ATOM 0 HG2 ARG A 262 13.515 2.384 -0.773 1.00 15.00 H new ATOM 0 HG3 ARG A 262 13.777 3.558 -2.048 1.00 15.00 H new ATOM 0 HD2 ARG A 262 13.885 5.384 -0.423 1.00 15.00 H new ATOM 0 HD3 ARG A 262 13.444 4.302 0.883 1.00 15.00 H new ATOM 0 HE ARG A 262 15.685 3.074 -0.035 1.00 15.00 H new ATOM 0 HH11 ARG A 262 15.024 6.487 0.635 1.00 15.00 H new ATOM 0 HH12 ARG A 262 16.698 6.833 1.080 1.00 15.00 H new ATOM 0 HH21 ARG A 262 17.812 3.525 0.545 1.00 15.00 H new ATOM 0 HH22 ARG A 262 18.274 5.159 1.029 1.00 15.00 H new ATOM 526 N LEU A 263 11.572 5.010 -4.085 1.00 15.00 N ATOM 527 CA LEU A 263 12.140 5.349 -5.385 1.00 15.00 C ATOM 528 C LEU A 263 11.783 6.773 -5.796 1.00 15.00 C ATOM 529 O LEU A 263 12.342 7.307 -6.758 1.00 15.00 O ATOM 530 CB LEU A 263 11.682 4.361 -6.465 1.00 15.00 C ATOM 531 CG LEU A 263 12.478 3.052 -6.552 1.00 15.00 C ATOM 532 CD1 LEU A 263 13.942 3.335 -6.847 1.00 15.00 C ATOM 533 CD2 LEU A 263 12.343 2.235 -5.276 1.00 15.00 C ATOM 0 H LEU A 263 10.715 4.458 -4.129 1.00 15.00 H new ATOM 0 HA LEU A 263 13.224 5.281 -5.288 1.00 15.00 H new ATOM 0 HB2 LEU A 263 10.635 4.116 -6.287 1.00 15.00 H new ATOM 0 HB3 LEU A 263 11.733 4.860 -7.433 1.00 15.00 H new ATOM 0 HG LEU A 263 12.063 2.465 -7.371 1.00 15.00 H new ATOM 0 HD11 LEU A 263 14.490 2.394 -6.905 1.00 15.00 H new ATOM 0 HD12 LEU A 263 14.026 3.863 -7.797 1.00 15.00 H new ATOM 0 HD13 LEU A 263 14.361 3.951 -6.051 1.00 15.00 H new ATOM 0 HD21 LEU A 263 12.919 1.314 -5.371 1.00 15.00 H new ATOM 0 HD22 LEU A 263 12.720 2.813 -4.432 1.00 15.00 H new ATOM 0 HD23 LEU A 263 11.294 1.991 -5.109 1.00 15.00 H new ATOM 545 N ASP A 264 10.846 7.380 -5.072 1.00 15.00 N ATOM 546 CA ASP A 264 10.378 8.731 -5.392 1.00 15.00 C ATOM 547 C ASP A 264 11.493 9.789 -5.317 1.00 15.00 C ATOM 548 O ASP A 264 11.644 10.584 -6.246 1.00 15.00 O ATOM 549 CB ASP A 264 9.190 9.125 -4.506 1.00 15.00 C ATOM 550 CG ASP A 264 8.716 10.543 -4.761 1.00 15.00 C ATOM 551 OD1 ASP A 264 8.154 10.802 -5.844 1.00 15.00 O1- ATOM 552 OD2 ASP A 264 8.904 11.407 -3.876 1.00 15.00 O ATOM 0 H ASP A 264 10.394 6.960 -4.260 1.00 15.00 H new ATOM 0 HA ASP A 264 10.047 8.704 -6.430 1.00 15.00 H new ATOM 0 HB2 ASP A 264 8.366 8.434 -4.681 1.00 15.00 H new ATOM 0 HB3 ASP A 264 9.474 9.024 -3.458 1.00 15.00 H new ATOM 557 N PRO A 265 12.266 9.838 -4.217 1.00 15.00 N ATOM 558 CA PRO A 265 13.442 10.709 -4.118 1.00 15.00 C ATOM 559 C PRO A 265 14.539 10.305 -5.103 1.00 15.00 C ATOM 560 O PRO A 265 15.275 9.335 -4.820 1.00 15.00 O ATOM 561 CB PRO A 265 13.917 10.521 -2.670 1.00 15.00 C ATOM 562 CG PRO A 265 13.329 9.221 -2.237 1.00 15.00 C ATOM 563 CD PRO A 265 12.035 9.092 -2.979 1.00 15.00 C ATOM 564 OXT PRO A 265 14.658 10.957 -6.159 1.00 15.00 O ATOM 0 HA PRO A 265 13.204 11.744 -4.362 1.00 15.00 H new ATOM 0 HB2 PRO A 265 15.005 10.501 -2.611 1.00 15.00 H new ATOM 0 HB3 PRO A 265 13.578 11.339 -2.034 1.00 15.00 H new ATOM 0 HG2 PRO A 265 13.998 8.392 -2.470 1.00 15.00 H new ATOM 0 HG3 PRO A 265 13.165 9.205 -1.159 1.00 15.00 H new ATOM 0 HD2 PRO A 265 11.792 8.049 -3.180 1.00 15.00 H new ATOM 0 HD3 PRO A 265 11.204 9.509 -2.410 1.00 15.00 H new ATOM 573 N SER B 206 -7.595 9.572 -5.928 1.00 15.00 N ATOM 574 CA SER B 206 -8.284 8.486 -5.207 1.00 15.00 C ATOM 575 C SER B 206 -7.644 8.261 -3.842 1.00 15.00 C ATOM 576 O SER B 206 -6.433 8.075 -3.745 1.00 15.00 O ATOM 577 CB SER B 206 -8.212 7.202 -6.029 1.00 15.00 C ATOM 578 OG SER B 206 -8.609 7.430 -7.371 1.00 15.00 O ATOM 0 HA SER B 206 -9.327 8.768 -5.060 1.00 15.00 H new ATOM 0 HB2 SER B 206 -7.195 6.811 -6.009 1.00 15.00 H new ATOM 0 HB3 SER B 206 -8.854 6.444 -5.581 1.00 15.00 H new ATOM 0 HG SER B 206 -8.384 8.349 -7.627 1.00 15.00 H new ATOM 586 N PRO B 207 -8.438 8.292 -2.764 1.00 15.00 N ATOM 587 CA PRO B 207 -7.965 7.920 -1.430 1.00 15.00 C ATOM 588 C PRO B 207 -7.810 6.403 -1.316 1.00 15.00 C ATOM 589 O PRO B 207 -8.708 5.659 -1.709 1.00 15.00 O ATOM 590 CB PRO B 207 -9.076 8.416 -0.490 1.00 15.00 C ATOM 591 CG PRO B 207 -10.019 9.204 -1.342 1.00 15.00 C ATOM 592 CD PRO B 207 -9.845 8.698 -2.745 1.00 15.00 C ATOM 0 HA PRO B 207 -6.990 8.349 -1.197 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.587 7.579 -0.015 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -8.664 9.033 0.309 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.048 9.073 -1.006 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -9.798 10.270 -1.283 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.511 7.863 -2.961 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.054 9.471 -3.484 1.00 15.00 H new ATOM 600 N PRO B 208 -6.674 5.918 -0.789 1.00 15.00 N ATOM 601 CA PRO B 208 -6.411 4.483 -0.684 1.00 15.00 C ATOM 602 C PRO B 208 -7.281 3.823 0.383 1.00 15.00 C ATOM 603 O PRO B 208 -7.420 4.344 1.489 1.00 15.00 O ATOM 604 CB PRO B 208 -4.922 4.408 -0.307 1.00 15.00 C ATOM 605 CG PRO B 208 -4.396 5.795 -0.483 1.00 15.00 C ATOM 606 CD PRO B 208 -5.564 6.699 -0.240 1.00 15.00 C ATOM 0 HA PRO B 208 -6.643 3.953 -1.608 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.794 4.067 0.720 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.390 3.703 -0.946 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.588 6.000 0.219 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.991 5.937 -1.485 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.701 6.913 0.820 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.450 7.658 -0.746 1.00 15.00 H new ATOM 614 N PRO B 209 -7.873 2.666 0.043 1.00 15.00 N ATOM 615 CA PRO B 209 -8.758 1.905 0.933 1.00 15.00 C ATOM 616 C PRO B 209 -8.166 1.693 2.323 1.00 15.00 C ATOM 617 O PRO B 209 -6.953 1.510 2.469 1.00 15.00 O ATOM 618 CB PRO B 209 -8.914 0.551 0.216 1.00 15.00 C ATOM 619 CG PRO B 209 -7.897 0.562 -0.877 1.00 15.00 C ATOM 620 CD PRO B 209 -7.735 2.000 -1.252 1.00 15.00 C ATOM 0 HA PRO B 209 -9.697 2.432 1.103 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.744 -0.279 0.902 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.921 0.432 -0.185 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.953 0.135 -0.540 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -8.229 -0.031 -1.729 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.766 2.196 -1.711 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -8.495 2.325 -1.962 1.00 15.00 H new ATOM 628 N PRO B 210 -9.029 1.701 3.353 1.00 15.00 N ATOM 629 CA PRO B 210 -8.625 1.489 4.743 1.00 15.00 C ATOM 630 C PRO B 210 -7.737 0.264 4.908 1.00 15.00 C ATOM 631 O PRO B 210 -8.062 -0.827 4.433 1.00 15.00 O ATOM 632 CB PRO B 210 -9.951 1.297 5.495 1.00 15.00 C ATOM 633 CG PRO B 210 -11.009 1.199 4.444 1.00 15.00 C ATOM 634 CD PRO B 210 -10.475 1.923 3.245 1.00 15.00 C ATOM 0 HA PRO B 210 -8.034 2.324 5.118 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -9.925 0.396 6.108 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -10.144 2.134 6.166 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.226 0.158 4.206 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.941 1.648 4.787 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.878 1.520 2.316 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.725 2.984 3.268 1.00 15.00 H new ATOM 642 N TYR B 211 -6.624 0.458 5.598 1.00 15.00 N ATOM 643 CA TYR B 211 -5.617 -0.577 5.801 1.00 15.00 C ATOM 644 C TYR B 211 -6.129 -1.702 6.717 1.00 15.00 C ATOM 645 O TYR B 211 -5.498 -2.752 6.852 1.00 15.00 O ATOM 646 CB TYR B 211 -4.343 0.091 6.352 1.00 15.00 C ATOM 647 CG TYR B 211 -3.405 -0.813 7.116 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.655 -1.793 6.477 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.270 -0.674 8.487 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.801 -2.610 7.192 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.419 -1.479 9.208 1.00 15.00 C ATOM 652 CZ TYR B 211 -1.685 -2.448 8.558 1.00 15.00 C ATOM 653 OH TYR B 211 -0.840 -3.261 9.277 1.00 15.00 O ATOM 0 H TYR B 211 -6.390 1.348 6.039 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.388 -1.058 4.850 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.796 0.530 5.518 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.639 0.912 7.005 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.741 -1.917 5.408 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -3.845 0.082 9.001 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -1.227 -3.372 6.685 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.326 -1.353 10.277 1.00 15.00 H new ATOM 0 HH TYR B 211 -0.359 -3.856 8.665 1.00 15.00 H new ATOM 663 N SER B 212 -7.282 -1.482 7.334 1.00 15.00 N ATOM 664 CA SER B 212 -7.860 -2.451 8.253 1.00 15.00 C ATOM 665 C SER B 212 -8.138 -3.794 7.571 1.00 15.00 C ATOM 666 O SER B 212 -7.976 -4.851 8.184 1.00 15.00 O ATOM 667 CB SER B 212 -9.138 -1.877 8.860 1.00 15.00 C ATOM 668 OG SER B 212 -9.901 -1.196 7.875 1.00 15.00 O ATOM 0 H SER B 212 -7.838 -0.635 7.213 1.00 15.00 H new ATOM 0 HA SER B 212 -7.136 -2.643 9.045 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.732 -2.680 9.296 1.00 15.00 H new ATOM 0 HB3 SER B 212 -8.886 -1.192 9.669 1.00 15.00 H new ATOM 0 HG SER B 212 -10.716 -0.837 8.283 1.00 15.00 H new ATOM 674 N ARG B 213 -8.585 -3.752 6.319 1.00 15.00 N ATOM 675 CA ARG B 213 -8.792 -4.971 5.546 1.00 15.00 C ATOM 676 C ARG B 213 -8.579 -4.700 4.059 1.00 15.00 C ATOM 677 O ARG B 213 -8.568 -3.551 3.626 1.00 15.00 O ATOM 678 CB ARG B 213 -10.179 -5.566 5.770 1.00 15.00 C ATOM 679 CG ARG B 213 -10.226 -7.036 5.389 1.00 15.00 C ATOM 680 CD ARG B 213 -9.911 -7.934 6.574 1.00 15.00 C ATOM 681 NE ARG B 213 -10.987 -7.946 7.564 1.00 15.00 N ATOM 682 CZ ARG B 213 -10.783 -7.942 8.883 1.00 15.00 C ATOM 683 NH1 ARG B 213 -9.546 -7.880 9.360 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -11.813 -8.006 9.721 1.00 15.00 N ATOM 0 H ARG B 213 -8.810 -2.891 5.821 1.00 15.00 H new ATOM 0 HA ARG B 213 -8.059 -5.699 5.893 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.460 -5.452 6.817 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -10.912 -5.014 5.182 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -11.215 -7.280 5.000 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.512 -7.227 4.588 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.735 -8.950 6.220 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.989 -7.597 7.047 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.950 -7.958 7.227 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.754 -7.836 8.719 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -9.388 -7.877 10.368 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -12.764 -8.058 9.357 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -11.652 -8.003 10.728 1.00 15.00 H new ATOM 698 N TYR B 214 -8.438 -5.764 3.279 1.00 15.00 N ATOM 699 CA TYR B 214 -8.067 -5.645 1.875 1.00 15.00 C ATOM 700 C TYR B 214 -9.316 -5.520 1.016 1.00 15.00 C ATOM 701 O TYR B 214 -10.235 -6.334 1.123 1.00 15.00 O ATOM 702 CB TYR B 214 -7.257 -6.875 1.422 1.00 15.00 C ATOM 703 CG TYR B 214 -6.163 -7.295 2.387 1.00 15.00 C ATOM 704 CD1 TYR B 214 -5.792 -6.481 3.443 1.00 15.00 C ATOM 705 CD2 TYR B 214 -5.525 -8.522 2.254 1.00 15.00 C ATOM 706 CE1 TYR B 214 -4.831 -6.861 4.338 1.00 15.00 C ATOM 707 CE2 TYR B 214 -4.546 -8.915 3.148 1.00 15.00 C ATOM 708 CZ TYR B 214 -4.203 -8.080 4.191 1.00 15.00 C ATOM 709 OH TYR B 214 -3.238 -8.469 5.093 1.00 15.00 O ATOM 0 H TYR B 214 -8.576 -6.723 3.597 1.00 15.00 H new ATOM 0 HA TYR B 214 -7.452 -4.753 1.758 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -7.940 -7.712 1.279 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.807 -6.662 0.452 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.274 -5.522 3.563 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -5.798 -9.178 1.441 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -4.565 -6.209 5.157 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.053 -9.869 3.030 1.00 15.00 H new ATOM 0 HH TYR B 214 -2.897 -9.354 4.846 1.00 15.00 H new ATOM 719 N PRO B 215 -9.371 -4.486 0.166 1.00 15.00 N ATOM 720 CA PRO B 215 -10.508 -4.255 -0.724 1.00 15.00 C ATOM 721 C PRO B 215 -10.622 -5.317 -1.813 1.00 15.00 C ATOM 722 O PRO B 215 -9.784 -5.396 -2.717 1.00 15.00 O ATOM 723 CB PRO B 215 -10.212 -2.888 -1.341 1.00 15.00 C ATOM 724 CG PRO B 215 -8.732 -2.752 -1.254 1.00 15.00 C ATOM 725 CD PRO B 215 -8.329 -3.459 0.008 1.00 15.00 C ATOM 0 HA PRO B 215 -11.455 -4.297 -0.186 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -10.555 -2.836 -2.374 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -10.717 -2.089 -0.797 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -8.247 -3.196 -2.123 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -8.437 -1.703 -1.226 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.337 -3.902 -0.078 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.302 -2.779 0.859 1.00 15.00 H new