USER MOD reduce.3.24.130724 H: found=0, std=0, add=347, rem=0, adj=14 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= 0.337 F(o=-1.7,f=-0.85) USER MOD Set 1.2: B 211 TYR OH : rot -10:sc= -1.19! USER MOD Set 2.1: A 250 ASN : amide:sc= -0.709 K(o=-2,f=-11!) USER MOD Set 2.2: A 253 ASN : amide:sc= -1.28! X(o=-2!,f=-2.1) USER MOD Single : A 238 GLN : amide:sc= -0.933 K(o=-0.93,f=-1.9!) USER MOD Single : A 240 MET CE :methyl 162:sc= -0.119 (180deg=-0.518) USER MOD Single : A 241 THR OG1 : rot 130:sc= 0.899 USER MOD Single : A 242 GLN :FLIP amide:sc= -0.104 F(o=-1.7!,f=-0.1) USER MOD Single : A 247 TYR OH : rot 117:sc= -3.64! USER MOD Single : A 248 TYR OH : rot -15:sc= -1.22 USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 254 LYS NZ :NH3+ -153:sc= -3.29! (180deg=-5.08!) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 THR OG1 : rot 147:sc= 0.287 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 206 SER OG : rot -26:sc= 0.127 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 9.361 -1.258 -5.453 1.00 15.00 N ATOM 2 CA GLY A 230 10.756 -1.759 -5.464 1.00 15.00 C ATOM 3 C GLY A 230 11.254 -2.038 -4.063 1.00 15.00 C ATOM 4 O GLY A 230 10.660 -2.846 -3.351 1.00 15.00 O ATOM 0 HA2 GLY A 230 10.812 -2.670 -6.060 1.00 15.00 H new ATOM 0 HA3 GLY A 230 11.404 -1.025 -5.943 1.00 15.00 H new ATOM 10 N PRO A 231 12.346 -1.391 -3.637 1.00 15.00 N ATOM 11 CA PRO A 231 12.843 -1.496 -2.277 1.00 15.00 C ATOM 12 C PRO A 231 12.158 -0.489 -1.362 1.00 15.00 C ATOM 13 O PRO A 231 12.435 0.709 -1.423 1.00 15.00 O ATOM 14 CB PRO A 231 14.341 -1.182 -2.405 1.00 15.00 C ATOM 15 CG PRO A 231 14.557 -0.714 -3.815 1.00 15.00 C ATOM 16 CD PRO A 231 13.202 -0.519 -4.439 1.00 15.00 C ATOM 0 HA PRO A 231 12.652 -2.476 -1.839 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.639 -0.414 -1.691 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.943 -2.066 -2.193 1.00 15.00 H new ATOM 0 HG2 PRO A 231 15.123 0.218 -3.827 1.00 15.00 H new ATOM 0 HG3 PRO A 231 15.136 -1.446 -4.378 1.00 15.00 H new ATOM 0 HD2 PRO A 231 12.880 0.521 -4.389 1.00 15.00 H new ATOM 0 HD3 PRO A 231 13.197 -0.804 -5.491 1.00 15.00 H new ATOM 24 N LEU A 232 11.235 -0.965 -0.543 1.00 15.00 N ATOM 25 CA LEU A 232 10.456 -0.082 0.308 1.00 15.00 C ATOM 26 C LEU A 232 11.100 0.087 1.674 1.00 15.00 C ATOM 27 O LEU A 232 11.918 -0.737 2.079 1.00 15.00 O ATOM 28 CB LEU A 232 8.993 -0.520 0.478 1.00 15.00 C ATOM 29 CG LEU A 232 8.081 -0.240 -0.712 1.00 15.00 C ATOM 30 CD1 LEU A 232 8.065 1.228 -1.068 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.481 -1.058 -1.923 1.00 15.00 C ATOM 0 H LEU A 232 11.007 -1.955 -0.450 1.00 15.00 H new ATOM 0 HA LEU A 232 10.446 0.876 -0.212 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.974 -1.590 0.684 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.582 -0.019 1.354 1.00 15.00 H new ATOM 0 HG LEU A 232 7.075 -0.533 -0.411 1.00 15.00 H new ATOM 0 HD11 LEU A 232 7.405 1.389 -1.920 1.00 15.00 H new ATOM 0 HD12 LEU A 232 7.705 1.805 -0.216 1.00 15.00 H new ATOM 0 HD13 LEU A 232 9.074 1.551 -1.325 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.810 -0.833 -2.752 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.504 -0.811 -2.207 1.00 15.00 H new ATOM 0 HD23 LEU A 232 8.417 -2.119 -1.682 1.00 15.00 H new ATOM 43 N PRO A 233 10.730 1.159 2.414 1.00 15.00 N ATOM 44 CA PRO A 233 11.296 1.478 3.741 1.00 15.00 C ATOM 45 C PRO A 233 11.083 0.366 4.775 1.00 15.00 C ATOM 46 O PRO A 233 11.575 0.463 5.898 1.00 15.00 O ATOM 47 CB PRO A 233 10.515 2.741 4.135 1.00 15.00 C ATOM 48 CG PRO A 233 10.190 3.353 2.826 1.00 15.00 C ATOM 49 CD PRO A 233 9.726 2.183 2.035 1.00 15.00 C ATOM 0 HA PRO A 233 12.378 1.603 3.707 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.616 2.499 4.702 1.00 15.00 H new ATOM 0 HB3 PRO A 233 11.113 3.408 4.755 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.417 4.116 2.915 1.00 15.00 H new ATOM 0 HG3 PRO A 233 11.059 3.831 2.374 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.712 1.883 2.301 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.728 2.384 0.964 1.00 15.00 H new ATOM 57 N ASP A 234 10.269 -0.631 4.404 1.00 15.00 N ATOM 58 CA ASP A 234 10.050 -1.849 5.206 1.00 15.00 C ATOM 59 C ASP A 234 8.961 -1.649 6.237 1.00 15.00 C ATOM 60 O ASP A 234 8.787 -2.464 7.145 1.00 15.00 O ATOM 61 CB ASP A 234 11.338 -2.349 5.874 1.00 15.00 C ATOM 62 CG ASP A 234 12.244 -3.084 4.910 1.00 15.00 C ATOM 63 OD1 ASP A 234 11.834 -4.153 4.406 1.00 15.00 O ATOM 64 OD2 ASP A 234 13.368 -2.608 4.659 1.00 15.00 O1- ATOM 0 H ASP A 234 9.739 -0.618 3.533 1.00 15.00 H new ATOM 0 HA ASP A 234 9.723 -2.620 4.508 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.876 -1.501 6.298 1.00 15.00 H new ATOM 0 HB3 ASP A 234 11.081 -3.010 6.702 1.00 15.00 H new ATOM 69 N GLY A 235 8.216 -0.575 6.088 1.00 15.00 N ATOM 70 CA GLY A 235 7.039 -0.390 6.898 1.00 15.00 C ATOM 71 C GLY A 235 5.796 -0.880 6.184 1.00 15.00 C ATOM 72 O GLY A 235 4.771 -1.138 6.813 1.00 15.00 O ATOM 0 H GLY A 235 8.404 0.173 5.421 1.00 15.00 H new ATOM 0 HA2 GLY A 235 7.155 -0.926 7.840 1.00 15.00 H new ATOM 0 HA3 GLY A 235 6.927 0.666 7.144 1.00 15.00 H new ATOM 76 N TRP A 236 5.899 -1.055 4.869 1.00 15.00 N ATOM 77 CA TRP A 236 4.731 -1.351 4.049 1.00 15.00 C ATOM 78 C TRP A 236 4.974 -2.322 2.902 1.00 15.00 C ATOM 79 O TRP A 236 6.060 -2.390 2.322 1.00 15.00 O ATOM 80 CB TRP A 236 4.052 -0.074 3.541 1.00 15.00 C ATOM 81 CG TRP A 236 4.929 1.130 3.331 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.276 1.193 3.087 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.472 2.486 3.374 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.669 2.501 2.990 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.582 3.311 3.157 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.221 3.076 3.577 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.483 4.701 3.141 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.122 4.452 3.558 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.248 5.253 3.343 1.00 15.00 C ATOM 0 H TRP A 236 6.776 -0.997 4.352 1.00 15.00 H new ATOM 0 HA TRP A 236 4.056 -1.870 4.729 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.562 -0.305 2.595 1.00 15.00 H new ATOM 0 HB3 TRP A 236 3.268 0.197 4.249 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.930 0.339 2.986 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.623 2.820 2.820 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.347 2.465 3.746 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.352 5.321 2.975 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.160 4.918 3.712 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.140 6.328 3.336 1.00 15.00 H new ATOM 100 N GLU A 237 3.900 -3.048 2.586 1.00 15.00 N ATOM 101 CA GLU A 237 3.882 -4.088 1.568 1.00 15.00 C ATOM 102 C GLU A 237 2.892 -3.702 0.464 1.00 15.00 C ATOM 103 O GLU A 237 1.838 -3.125 0.749 1.00 15.00 O ATOM 104 CB GLU A 237 3.446 -5.399 2.237 1.00 15.00 C ATOM 105 CG GLU A 237 3.206 -6.551 1.279 1.00 15.00 C ATOM 106 CD GLU A 237 4.473 -7.038 0.613 1.00 15.00 C ATOM 107 OE1 GLU A 237 5.130 -7.943 1.175 1.00 15.00 O ATOM 108 OE2 GLU A 237 4.812 -6.529 -0.475 1.00 15.00 O1- ATOM 0 H GLU A 237 2.998 -2.922 3.045 1.00 15.00 H new ATOM 0 HA GLU A 237 4.869 -4.209 1.122 1.00 15.00 H new ATOM 0 HB2 GLU A 237 4.210 -5.695 2.956 1.00 15.00 H new ATOM 0 HB3 GLU A 237 2.531 -5.217 2.801 1.00 15.00 H new ATOM 0 HG2 GLU A 237 2.746 -7.377 1.821 1.00 15.00 H new ATOM 0 HG3 GLU A 237 2.497 -6.238 0.513 1.00 15.00 H new ATOM 115 N GLN A 238 3.210 -4.044 -0.783 1.00 15.00 N ATOM 116 CA GLN A 238 2.350 -3.692 -1.909 1.00 15.00 C ATOM 117 C GLN A 238 1.313 -4.795 -2.177 1.00 15.00 C ATOM 118 O GLN A 238 1.672 -5.902 -2.576 1.00 15.00 O ATOM 119 CB GLN A 238 3.181 -3.450 -3.175 1.00 15.00 C ATOM 120 CG GLN A 238 2.343 -3.177 -4.413 1.00 15.00 C ATOM 121 CD GLN A 238 3.138 -3.323 -5.693 1.00 15.00 C ATOM 122 OE1 GLN A 238 3.733 -2.365 -6.182 1.00 15.00 O ATOM 123 NE2 GLN A 238 3.154 -4.529 -6.240 1.00 15.00 N ATOM 0 H GLN A 238 4.052 -4.561 -1.038 1.00 15.00 H new ATOM 0 HA GLN A 238 1.826 -2.773 -1.647 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.848 -2.605 -3.005 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.810 -4.321 -3.358 1.00 15.00 H new ATOM 0 HG2 GLN A 238 1.497 -3.864 -4.434 1.00 15.00 H new ATOM 0 HG3 GLN A 238 1.934 -2.168 -4.356 1.00 15.00 H new ATOM 0 HE21 GLN A 238 2.645 -5.296 -5.799 1.00 15.00 H new ATOM 0 HE22 GLN A 238 3.675 -4.691 -7.102 1.00 15.00 H new ATOM 132 N ALA A 239 0.035 -4.498 -1.948 1.00 15.00 N ATOM 133 CA ALA A 239 -1.034 -5.431 -2.261 1.00 15.00 C ATOM 134 C ALA A 239 -1.715 -5.015 -3.561 1.00 15.00 C ATOM 135 O ALA A 239 -1.760 -3.830 -3.897 1.00 15.00 O ATOM 136 CB ALA A 239 -2.042 -5.492 -1.119 1.00 15.00 C ATOM 0 H ALA A 239 -0.281 -3.615 -1.546 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.610 -6.427 -2.389 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -2.835 -6.196 -1.371 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.541 -5.821 -0.209 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.471 -4.503 -0.960 1.00 15.00 H new ATOM 142 N MET A 240 -2.236 -5.990 -4.292 1.00 15.00 N ATOM 143 CA MET A 240 -2.813 -5.739 -5.608 1.00 15.00 C ATOM 144 C MET A 240 -4.292 -6.107 -5.628 1.00 15.00 C ATOM 145 O MET A 240 -4.663 -7.219 -5.253 1.00 15.00 O ATOM 146 CB MET A 240 -2.075 -6.564 -6.669 1.00 15.00 C ATOM 147 CG MET A 240 -0.569 -6.356 -6.680 1.00 15.00 C ATOM 148 SD MET A 240 0.272 -7.416 -7.875 1.00 15.00 S ATOM 149 CE MET A 240 -0.437 -6.832 -9.413 1.00 15.00 C ATOM 0 H MET A 240 -2.272 -6.966 -3.996 1.00 15.00 H new ATOM 0 HA MET A 240 -2.709 -4.677 -5.828 1.00 15.00 H new ATOM 0 HB2 MET A 240 -2.284 -7.621 -6.502 1.00 15.00 H new ATOM 0 HB3 MET A 240 -2.473 -6.312 -7.652 1.00 15.00 H new ATOM 0 HG2 MET A 240 -0.352 -5.313 -6.910 1.00 15.00 H new ATOM 0 HG3 MET A 240 -0.172 -6.552 -5.684 1.00 15.00 H new ATOM 0 HE1 MET A 240 0.192 -7.146 -10.246 1.00 15.00 H new ATOM 0 HE2 MET A 240 -1.436 -7.250 -9.535 1.00 15.00 H new ATOM 0 HE3 MET A 240 -0.498 -5.744 -9.395 1.00 15.00 H new ATOM 159 N THR A 241 -5.135 -5.181 -6.067 1.00 15.00 N ATOM 160 CA THR A 241 -6.546 -5.485 -6.240 1.00 15.00 C ATOM 161 C THR A 241 -6.882 -5.575 -7.729 1.00 15.00 C ATOM 162 O THR A 241 -6.400 -4.770 -8.540 1.00 15.00 O ATOM 163 CB THR A 241 -7.470 -4.454 -5.540 1.00 15.00 C ATOM 164 OG1 THR A 241 -8.831 -4.900 -5.593 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.374 -3.078 -6.183 1.00 15.00 C ATOM 0 H THR A 241 -4.869 -4.226 -6.307 1.00 15.00 H new ATOM 0 HA THR A 241 -6.729 -6.448 -5.763 1.00 15.00 H new ATOM 0 HB THR A 241 -7.139 -4.373 -4.505 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.226 -4.853 -4.697 1.00 15.00 H new ATOM 0 HG21 THR A 241 -8.037 -2.386 -5.663 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.348 -2.716 -6.117 1.00 15.00 H new ATOM 0 HG23 THR A 241 -7.669 -3.144 -7.230 1.00 15.00 H new ATOM 173 N GLN A 242 -7.713 -6.557 -8.078 1.00 15.00 N ATOM 174 CA GLN A 242 -8.069 -6.828 -9.471 1.00 15.00 C ATOM 175 C GLN A 242 -8.877 -5.674 -10.066 1.00 15.00 C ATOM 176 O GLN A 242 -9.119 -5.624 -11.273 1.00 15.00 O ATOM 177 CB GLN A 242 -8.830 -8.155 -9.576 1.00 15.00 C ATOM 178 CG GLN A 242 -9.098 -8.602 -11.005 1.00 15.00 C ATOM 179 CD GLN A 242 -9.535 -10.052 -11.100 1.00 15.00 C ATOM 180 OE1 GLN A 242 -9.024 -10.886 -10.207 1.00 15.00 O flip ATOM 181 NE2 GLN A 242 -10.312 -10.425 -11.980 1.00 15.00 N flip ATOM 0 H GLN A 242 -8.156 -7.184 -7.407 1.00 15.00 H new ATOM 0 HA GLN A 242 -7.151 -6.915 -10.052 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -8.260 -8.931 -9.064 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -9.781 -8.060 -9.051 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -9.869 -7.966 -11.440 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -8.195 -8.460 -11.600 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -10.685 -9.752 -12.650 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -10.583 -11.407 -12.039 1.00 15.00 H new ATOM 190 N ASP A 243 -9.290 -4.748 -9.202 1.00 15.00 N ATOM 191 CA ASP A 243 -9.940 -3.511 -9.634 1.00 15.00 C ATOM 192 C ASP A 243 -8.963 -2.656 -10.454 1.00 15.00 C ATOM 193 O ASP A 243 -9.337 -1.639 -11.039 1.00 15.00 O ATOM 194 CB ASP A 243 -10.452 -2.735 -8.412 1.00 15.00 C ATOM 195 CG ASP A 243 -11.214 -1.470 -8.770 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.214 -1.554 -9.512 1.00 15.00 O ATOM 197 OD2 ASP A 243 -10.836 -0.386 -8.278 1.00 15.00 O1- ATOM 0 H ASP A 243 -9.185 -4.832 -8.191 1.00 15.00 H new ATOM 0 HA ASP A 243 -10.791 -3.758 -10.269 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.100 -3.385 -7.824 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -9.605 -2.472 -7.778 1.00 15.00 H new ATOM 202 N GLY A 244 -7.701 -3.085 -10.485 1.00 15.00 N ATOM 203 CA GLY A 244 -6.714 -2.451 -11.338 1.00 15.00 C ATOM 204 C GLY A 244 -5.745 -1.544 -10.601 1.00 15.00 C ATOM 205 O GLY A 244 -4.972 -0.827 -11.237 1.00 15.00 O ATOM 0 H GLY A 244 -7.346 -3.864 -9.931 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -6.147 -3.225 -11.856 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -7.230 -1.869 -12.101 1.00 15.00 H new ATOM 209 N GLU A 245 -5.745 -1.595 -9.273 1.00 15.00 N ATOM 210 CA GLU A 245 -4.931 -0.677 -8.480 1.00 15.00 C ATOM 211 C GLU A 245 -4.056 -1.436 -7.488 1.00 15.00 C ATOM 212 O GLU A 245 -4.481 -2.432 -6.899 1.00 15.00 O ATOM 213 CB GLU A 245 -5.827 0.310 -7.722 1.00 15.00 C ATOM 214 CG GLU A 245 -6.586 1.287 -8.611 1.00 15.00 C ATOM 215 CD GLU A 245 -5.697 2.368 -9.205 1.00 15.00 C ATOM 216 OE1 GLU A 245 -4.790 2.035 -9.996 1.00 15.00 O ATOM 217 OE2 GLU A 245 -5.917 3.562 -8.897 1.00 15.00 O1- ATOM 0 H GLU A 245 -6.295 -2.257 -8.725 1.00 15.00 H new ATOM 0 HA GLU A 245 -4.285 -0.128 -9.165 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.546 -0.254 -7.128 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -5.211 0.877 -7.024 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -7.066 0.735 -9.419 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -7.380 1.757 -8.030 1.00 15.00 H new ATOM 224 N ILE A 246 -2.837 -0.957 -7.300 1.00 15.00 N ATOM 225 CA ILE A 246 -1.952 -1.507 -6.286 1.00 15.00 C ATOM 226 C ILE A 246 -1.748 -0.478 -5.180 1.00 15.00 C ATOM 227 O ILE A 246 -1.700 0.724 -5.445 1.00 15.00 O ATOM 228 CB ILE A 246 -0.590 -1.942 -6.875 1.00 15.00 C ATOM 229 CG1 ILE A 246 0.168 -0.739 -7.448 1.00 15.00 C ATOM 230 CG2 ILE A 246 -0.796 -3.007 -7.944 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.414 -1.113 -8.224 1.00 15.00 C ATOM 0 H ILE A 246 -2.437 -0.187 -7.837 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.422 -2.401 -5.877 1.00 15.00 H new ATOM 0 HB ILE A 246 0.013 -2.366 -6.072 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.500 -0.178 -8.101 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.447 -0.074 -6.630 1.00 15.00 H new ATOM 0 HG21 ILE A 246 0.170 -3.305 -8.351 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -1.288 -3.874 -7.503 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.418 -2.605 -8.743 1.00 15.00 H new ATOM 0 HD11 ILE A 246 1.895 -0.209 -8.598 1.00 15.00 H new ATOM 0 HD12 ILE A 246 2.103 -1.647 -7.570 1.00 15.00 H new ATOM 0 HD13 ILE A 246 1.141 -1.752 -9.064 1.00 15.00 H new ATOM 243 N TYR A 247 -1.660 -0.942 -3.943 1.00 15.00 N ATOM 244 CA TYR A 247 -1.608 -0.047 -2.794 1.00 15.00 C ATOM 245 C TYR A 247 -0.694 -0.608 -1.703 1.00 15.00 C ATOM 246 O TYR A 247 -0.620 -1.819 -1.509 1.00 15.00 O ATOM 247 CB TYR A 247 -3.022 0.168 -2.231 1.00 15.00 C ATOM 248 CG TYR A 247 -3.753 -1.122 -1.928 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.332 -1.870 -2.945 1.00 15.00 C ATOM 250 CD2 TYR A 247 -3.846 -1.601 -0.629 1.00 15.00 C ATOM 251 CE1 TYR A 247 -4.982 -3.055 -2.675 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.492 -2.788 -0.351 1.00 15.00 C ATOM 253 CZ TYR A 247 -5.058 -3.512 -1.379 1.00 15.00 C ATOM 254 OH TYR A 247 -5.698 -4.696 -1.112 1.00 15.00 O ATOM 0 H TYR A 247 -1.623 -1.934 -3.707 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.201 0.909 -3.125 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -2.955 0.761 -1.319 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -3.605 0.748 -2.947 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.272 -1.517 -3.964 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.405 -1.035 0.178 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.430 -3.623 -3.477 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.554 -3.148 0.665 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.057 -5.339 -0.743 1.00 15.00 H new ATOM 264 N TYR A 248 -0.031 0.276 -0.976 1.00 15.00 N ATOM 265 CA TYR A 248 0.866 -0.114 0.092 1.00 15.00 C ATOM 266 C TYR A 248 0.186 -0.017 1.449 1.00 15.00 C ATOM 267 O TYR A 248 -0.287 1.052 1.846 1.00 15.00 O ATOM 268 CB TYR A 248 2.116 0.763 0.077 1.00 15.00 C ATOM 269 CG TYR A 248 3.115 0.351 -0.971 1.00 15.00 C ATOM 270 CD1 TYR A 248 2.939 0.683 -2.310 1.00 15.00 C ATOM 271 CD2 TYR A 248 4.235 -0.383 -0.620 1.00 15.00 C ATOM 272 CE1 TYR A 248 3.853 0.287 -3.265 1.00 15.00 C ATOM 273 CE2 TYR A 248 5.148 -0.775 -1.568 1.00 15.00 C ATOM 274 CZ TYR A 248 4.955 -0.440 -2.889 1.00 15.00 C ATOM 275 OH TYR A 248 5.865 -0.843 -3.838 1.00 15.00 O ATOM 0 H TYR A 248 -0.102 1.284 -1.112 1.00 15.00 H new ATOM 0 HA TYR A 248 1.150 -1.153 -0.074 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.824 1.799 -0.096 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.591 0.725 1.057 1.00 15.00 H new ATOM 0 HD1 TYR A 248 2.075 1.259 -2.607 1.00 15.00 H new ATOM 0 HD2 TYR A 248 4.393 -0.651 0.414 1.00 15.00 H new ATOM 0 HE1 TYR A 248 3.702 0.548 -4.302 1.00 15.00 H new ATOM 0 HE2 TYR A 248 6.017 -1.346 -1.277 1.00 15.00 H new ATOM 0 HH TYR A 248 5.471 -0.748 -4.730 1.00 15.00 H new ATOM 285 N ILE A 249 0.138 -1.136 2.154 1.00 15.00 N ATOM 286 CA ILE A 249 -0.387 -1.168 3.507 1.00 15.00 C ATOM 287 C ILE A 249 0.760 -1.146 4.512 1.00 15.00 C ATOM 288 O ILE A 249 1.582 -2.066 4.554 1.00 15.00 O ATOM 289 CB ILE A 249 -1.277 -2.414 3.743 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.587 -3.682 3.219 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.634 -2.224 3.083 1.00 15.00 C ATOM 292 CD1 ILE A 249 -1.411 -4.943 3.374 1.00 15.00 C ATOM 0 H ILE A 249 0.459 -2.040 1.807 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.008 -0.283 3.646 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.429 -2.534 4.816 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.349 -3.544 2.164 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.359 -3.812 3.745 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.250 -3.107 3.256 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.126 -1.349 3.508 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.500 -2.080 2.011 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -0.853 -5.793 2.980 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -1.628 -5.109 4.429 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -2.346 -4.836 2.824 1.00 15.00 H new ATOM 304 N ASN A 250 0.827 -0.093 5.310 1.00 15.00 N ATOM 305 CA ASN A 250 1.910 0.053 6.271 1.00 15.00 C ATOM 306 C ASN A 250 1.508 -0.603 7.602 1.00 15.00 C ATOM 307 O ASN A 250 0.651 -0.068 8.306 1.00 15.00 O ATOM 308 CB ASN A 250 2.237 1.539 6.484 1.00 15.00 C ATOM 309 CG ASN A 250 3.451 1.773 7.371 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.739 1.001 8.283 1.00 15.00 O ATOM 311 ND2 ASN A 250 4.174 2.851 7.110 1.00 15.00 N ATOM 0 H ASN A 250 0.149 0.669 5.313 1.00 15.00 H new ATOM 0 HA ASN A 250 2.801 -0.442 5.884 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.409 2.007 5.515 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.372 2.033 6.927 1.00 15.00 H new ATOM 0 HD21 ASN A 250 4.998 3.061 7.673 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.907 3.471 6.345 1.00 15.00 H new ATOM 318 N HIS A 251 2.098 -1.763 7.947 1.00 15.00 N ATOM 319 CA HIS A 251 1.700 -2.500 9.142 1.00 15.00 C ATOM 320 C HIS A 251 2.314 -1.891 10.395 1.00 15.00 C ATOM 321 O HIS A 251 1.836 -2.117 11.508 1.00 15.00 O ATOM 322 CB HIS A 251 2.124 -3.970 9.042 1.00 15.00 C ATOM 323 CG HIS A 251 1.422 -4.756 7.971 1.00 15.00 C ATOM 324 ND1 HIS A 251 0.260 -5.451 7.999 1.00 15.00 N flip ATOM 325 CD2 HIS A 251 1.929 -4.921 6.699 1.00 15.00 C flip ATOM 326 CE1 HIS A 251 0.090 -6.018 6.758 1.00 15.00 C flip ATOM 327 NE2 HIS A 251 1.112 -5.679 5.996 1.00 15.00 N flip ATOM 0 H HIS A 251 2.848 -2.201 7.412 1.00 15.00 H new ATOM 0 HA HIS A 251 0.614 -2.439 9.212 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.198 -4.012 8.860 1.00 15.00 H new ATOM 0 HB3 HIS A 251 1.945 -4.452 10.003 1.00 15.00 H new ATOM 0 HD2 HIS A 251 2.852 -4.495 6.336 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -0.742 -6.638 6.457 1.00 15.00 H new ATOM 0 HE2 HIS A 251 1.247 -5.957 5.024 1.00 15.00 H new ATOM 336 N LYS A 252 3.392 -1.143 10.213 1.00 15.00 N ATOM 337 CA LYS A 252 4.105 -0.561 11.341 1.00 15.00 C ATOM 338 C LYS A 252 3.544 0.803 11.737 1.00 15.00 C ATOM 339 O LYS A 252 3.764 1.266 12.853 1.00 15.00 O ATOM 340 CB LYS A 252 5.600 -0.444 11.038 1.00 15.00 C ATOM 341 CG LYS A 252 6.311 -1.787 10.939 1.00 15.00 C ATOM 342 CD LYS A 252 6.143 -2.590 12.219 1.00 15.00 C ATOM 343 CE LYS A 252 6.956 -3.875 12.201 1.00 15.00 C ATOM 344 NZ LYS A 252 6.751 -4.668 13.442 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.791 -0.925 9.300 1.00 15.00 H new ATOM 0 HA LYS A 252 3.963 -1.235 12.185 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.731 0.096 10.100 1.00 15.00 H new ATOM 0 HB3 LYS A 252 6.074 0.152 11.818 1.00 15.00 H new ATOM 0 HG2 LYS A 252 5.912 -2.352 10.096 1.00 15.00 H new ATOM 0 HG3 LYS A 252 7.371 -1.627 10.743 1.00 15.00 H new ATOM 0 HD2 LYS A 252 6.447 -1.981 13.070 1.00 15.00 H new ATOM 0 HD3 LYS A 252 5.089 -2.831 12.359 1.00 15.00 H new ATOM 0 HE2 LYS A 252 6.673 -4.473 11.335 1.00 15.00 H new ATOM 0 HE3 LYS A 252 8.014 -3.636 12.092 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 7.320 -5.537 13.396 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 7.044 -4.105 14.266 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 5.745 -4.917 13.533 1.00 15.00 H new ATOM 358 N ASN A 253 2.857 1.468 10.817 1.00 15.00 N ATOM 359 CA ASN A 253 2.264 2.770 11.114 1.00 15.00 C ATOM 360 C ASN A 253 0.747 2.759 10.956 1.00 15.00 C ATOM 361 O ASN A 253 0.084 3.726 11.332 1.00 15.00 O ATOM 362 CB ASN A 253 2.871 3.853 10.218 1.00 15.00 C ATOM 363 CG ASN A 253 4.328 4.132 10.539 1.00 15.00 C ATOM 364 OD1 ASN A 253 5.126 4.429 9.648 1.00 15.00 O ATOM 365 ND2 ASN A 253 4.683 4.052 11.813 1.00 15.00 N ATOM 0 H ASN A 253 2.696 1.133 9.867 1.00 15.00 H new ATOM 0 HA ASN A 253 2.489 2.993 12.157 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.785 3.546 9.176 1.00 15.00 H new ATOM 0 HB3 ASN A 253 2.297 4.773 10.327 1.00 15.00 H new ATOM 0 HD21 ASN A 253 5.648 4.240 12.086 1.00 15.00 H new ATOM 0 HD22 ASN A 253 3.992 3.803 12.520 1.00 15.00 H new ATOM 372 N LYS A 254 0.200 1.675 10.396 1.00 15.00 N ATOM 373 CA LYS A 254 -1.244 1.548 10.205 1.00 15.00 C ATOM 374 C LYS A 254 -1.751 2.670 9.287 1.00 15.00 C ATOM 375 O LYS A 254 -2.723 3.364 9.588 1.00 15.00 O ATOM 376 CB LYS A 254 -1.938 1.566 11.578 1.00 15.00 C ATOM 377 CG LYS A 254 -3.450 1.387 11.553 1.00 15.00 C ATOM 378 CD LYS A 254 -4.064 1.621 12.929 1.00 15.00 C ATOM 379 CE LYS A 254 -4.108 3.103 13.306 1.00 15.00 C ATOM 380 NZ LYS A 254 -2.755 3.721 13.410 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.738 0.873 10.068 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.480 0.601 9.719 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.507 0.777 12.194 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -1.710 2.513 12.068 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -3.888 2.081 10.835 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.693 0.381 11.212 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -5.075 1.215 12.946 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -3.489 1.076 13.677 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -4.692 3.644 12.561 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -4.626 3.214 14.259 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -2.789 4.521 14.073 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -2.076 3.013 13.755 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -2.455 4.060 12.474 1.00 15.00 H new ATOM 394 N THR A 255 -1.080 2.828 8.152 1.00 15.00 N ATOM 395 CA THR A 255 -1.398 3.898 7.211 1.00 15.00 C ATOM 396 C THR A 255 -1.263 3.397 5.768 1.00 15.00 C ATOM 397 O THR A 255 -0.487 2.479 5.497 1.00 15.00 O ATOM 398 CB THR A 255 -0.496 5.139 7.438 1.00 15.00 C ATOM 399 OG1 THR A 255 -0.910 6.222 6.595 1.00 15.00 O ATOM 400 CG2 THR A 255 0.970 4.821 7.173 1.00 15.00 C ATOM 0 H THR A 255 -0.310 2.227 7.859 1.00 15.00 H new ATOM 0 HA THR A 255 -2.431 4.200 7.386 1.00 15.00 H new ATOM 0 HB THR A 255 -0.602 5.431 8.483 1.00 15.00 H new ATOM 0 HG1 THR A 255 -0.332 6.998 6.752 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.572 5.714 7.342 1.00 15.00 H new ATOM 0 HG22 THR A 255 1.298 4.029 7.846 1.00 15.00 H new ATOM 0 HG23 THR A 255 1.090 4.492 6.141 1.00 15.00 H new ATOM 408 N THR A 256 -2.046 3.965 4.857 1.00 15.00 N ATOM 409 CA THR A 256 -2.053 3.516 3.474 1.00 15.00 C ATOM 410 C THR A 256 -1.544 4.586 2.504 1.00 15.00 C ATOM 411 O THR A 256 -1.801 5.779 2.676 1.00 15.00 O ATOM 412 CB THR A 256 -3.467 3.073 3.054 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.453 3.873 3.723 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.686 1.603 3.374 1.00 15.00 C ATOM 0 H THR A 256 -2.683 4.737 5.054 1.00 15.00 H new ATOM 0 HA THR A 256 -1.369 2.669 3.421 1.00 15.00 H new ATOM 0 HB THR A 256 -3.566 3.211 1.977 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.228 3.995 3.136 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.691 1.310 3.070 1.00 15.00 H new ATOM 0 HG22 THR A 256 -2.954 1.001 2.836 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.571 1.443 4.446 1.00 15.00 H new ATOM 422 N SER A 257 -0.814 4.137 1.489 1.00 15.00 N ATOM 423 CA SER A 257 -0.321 5.002 0.422 1.00 15.00 C ATOM 424 C SER A 257 -0.269 4.191 -0.867 1.00 15.00 C ATOM 425 O SER A 257 0.135 3.043 -0.838 1.00 15.00 O ATOM 426 CB SER A 257 1.070 5.543 0.775 1.00 15.00 C ATOM 427 OG SER A 257 1.519 6.477 -0.190 1.00 15.00 O ATOM 0 H SER A 257 -0.546 3.159 1.382 1.00 15.00 H new ATOM 0 HA SER A 257 -0.987 5.855 0.295 1.00 15.00 H new ATOM 0 HB2 SER A 257 1.040 6.017 1.756 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.778 4.717 0.841 1.00 15.00 H new ATOM 0 HG SER A 257 2.407 6.806 0.062 1.00 15.00 H new ATOM 433 N TRP A 258 -0.668 4.782 -1.987 1.00 15.00 N ATOM 434 CA TRP A 258 -0.817 4.037 -3.244 1.00 15.00 C ATOM 435 C TRP A 258 0.485 3.386 -3.722 1.00 15.00 C ATOM 436 O TRP A 258 0.632 2.168 -3.686 1.00 15.00 O ATOM 437 CB TRP A 258 -1.347 4.950 -4.351 1.00 15.00 C ATOM 438 CG TRP A 258 -2.816 5.231 -4.277 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.412 6.445 -4.101 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.876 4.276 -4.393 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.778 6.304 -4.110 1.00 15.00 N ATOM 442 CE2 TRP A 258 -5.086 4.982 -4.285 1.00 15.00 C ATOM 443 CE3 TRP A 258 -3.916 2.892 -4.582 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.325 4.351 -4.362 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -5.145 2.267 -4.653 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.334 2.995 -4.544 1.00 15.00 C ATOM 0 H TRP A 258 -0.895 5.774 -2.057 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.528 3.238 -3.033 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.807 5.896 -4.313 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -1.126 4.495 -5.316 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -2.887 7.380 -3.973 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.453 7.061 -4.004 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -3.003 2.322 -4.671 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.245 4.911 -4.281 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -5.189 1.197 -4.795 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -7.279 2.476 -4.605 1.00 15.00 H new ATOM 457 N LEU A 259 1.422 4.214 -4.159 1.00 15.00 N ATOM 458 CA LEU A 259 2.600 3.750 -4.881 1.00 15.00 C ATOM 459 C LEU A 259 3.893 3.994 -4.127 1.00 15.00 C ATOM 460 O LEU A 259 3.950 4.821 -3.219 1.00 15.00 O ATOM 461 CB LEU A 259 2.666 4.345 -6.283 1.00 15.00 C ATOM 462 CG LEU A 259 1.962 3.497 -7.344 1.00 15.00 C ATOM 463 CD1 LEU A 259 2.117 4.118 -8.722 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.512 2.071 -7.325 1.00 15.00 C ATOM 0 H LEU A 259 1.389 5.225 -4.024 1.00 15.00 H new ATOM 0 HA LEU A 259 2.491 2.669 -4.972 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.218 5.338 -6.268 1.00 15.00 H new ATOM 0 HB3 LEU A 259 3.711 4.471 -6.566 1.00 15.00 H new ATOM 0 HG LEU A 259 0.898 3.462 -7.112 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.608 3.498 -9.460 1.00 15.00 H new ATOM 0 HD12 LEU A 259 1.679 5.116 -8.723 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.175 4.187 -8.973 1.00 15.00 H new ATOM 0 HD21 LEU A 259 2.005 1.475 -8.084 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.582 2.091 -7.534 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.343 1.629 -6.343 1.00 15.00 H new ATOM 476 N ASP A 260 4.926 3.261 -4.542 1.00 15.00 N ATOM 477 CA ASP A 260 6.199 3.190 -3.836 1.00 15.00 C ATOM 478 C ASP A 260 6.812 4.578 -3.716 1.00 15.00 C ATOM 479 O ASP A 260 7.162 5.221 -4.709 1.00 15.00 O ATOM 480 CB ASP A 260 7.139 2.266 -4.637 1.00 15.00 C ATOM 481 CG ASP A 260 8.548 2.119 -4.071 1.00 15.00 C ATOM 482 OD1 ASP A 260 9.087 3.086 -3.495 1.00 15.00 O ATOM 483 OD2 ASP A 260 9.132 1.026 -4.231 1.00 15.00 O1- ATOM 0 H ASP A 260 4.899 2.694 -5.389 1.00 15.00 H new ATOM 0 HA ASP A 260 6.048 2.797 -2.831 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.685 1.277 -4.697 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.213 2.646 -5.656 1.00 15.00 H new ATOM 488 N PRO A 261 6.911 5.057 -2.466 1.00 15.00 N ATOM 489 CA PRO A 261 7.367 6.406 -2.152 1.00 15.00 C ATOM 490 C PRO A 261 8.880 6.537 -2.194 1.00 15.00 C ATOM 491 O PRO A 261 9.423 7.643 -2.203 1.00 15.00 O ATOM 492 CB PRO A 261 6.850 6.599 -0.731 1.00 15.00 C ATOM 493 CG PRO A 261 6.921 5.242 -0.127 1.00 15.00 C ATOM 494 CD PRO A 261 6.584 4.293 -1.244 1.00 15.00 C ATOM 0 HA PRO A 261 7.010 7.146 -2.868 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.461 7.313 -0.179 1.00 15.00 H new ATOM 0 HB3 PRO A 261 5.830 6.983 -0.728 1.00 15.00 H new ATOM 0 HG2 PRO A 261 7.915 5.041 0.274 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.218 5.142 0.700 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.167 3.375 -1.178 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.533 4.005 -1.221 1.00 15.00 H new ATOM 502 N ARG A 262 9.554 5.400 -2.194 1.00 15.00 N ATOM 503 CA ARG A 262 11.000 5.374 -2.203 1.00 15.00 C ATOM 504 C ARG A 262 11.507 5.604 -3.624 1.00 15.00 C ATOM 505 O ARG A 262 12.638 6.020 -3.828 1.00 15.00 O ATOM 506 CB ARG A 262 11.511 4.050 -1.584 1.00 15.00 C ATOM 507 CG ARG A 262 13.032 3.870 -1.599 1.00 15.00 C ATOM 508 CD ARG A 262 13.559 3.400 -2.952 1.00 15.00 C ATOM 509 NE ARG A 262 15.016 3.519 -3.045 1.00 15.00 N ATOM 510 CZ ARG A 262 15.649 4.323 -3.907 1.00 15.00 C ATOM 511 NH1 ARG A 262 14.967 5.119 -4.716 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 16.972 4.354 -3.931 1.00 15.00 N ATOM 0 H ARG A 262 9.116 4.479 -2.188 1.00 15.00 H new ATOM 0 HA ARG A 262 11.397 6.180 -1.586 1.00 15.00 H new ATOM 0 HB2 ARG A 262 11.164 3.992 -0.552 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.057 3.217 -2.121 1.00 15.00 H new ATOM 0 HG2 ARG A 262 13.508 4.815 -1.337 1.00 15.00 H new ATOM 0 HG3 ARG A 262 13.315 3.148 -0.833 1.00 15.00 H new ATOM 0 HD2 ARG A 262 13.269 2.362 -3.113 1.00 15.00 H new ATOM 0 HD3 ARG A 262 13.096 3.987 -3.745 1.00 15.00 H new ATOM 0 HE ARG A 262 15.583 2.954 -2.413 1.00 15.00 H new ATOM 0 HH11 ARG A 262 13.947 5.124 -4.686 1.00 15.00 H new ATOM 0 HH12 ARG A 262 15.461 5.727 -5.369 1.00 15.00 H new ATOM 0 HH21 ARG A 262 17.508 3.765 -3.293 1.00 15.00 H new ATOM 0 HH22 ARG A 262 17.456 4.966 -4.588 1.00 15.00 H new ATOM 526 N LEU A 263 10.656 5.339 -4.606 1.00 15.00 N ATOM 527 CA LEU A 263 11.024 5.527 -6.009 1.00 15.00 C ATOM 528 C LEU A 263 11.089 7.005 -6.393 1.00 15.00 C ATOM 529 O LEU A 263 11.540 7.341 -7.489 1.00 15.00 O ATOM 530 CB LEU A 263 10.041 4.804 -6.937 1.00 15.00 C ATOM 531 CG LEU A 263 10.056 3.277 -6.856 1.00 15.00 C ATOM 532 CD1 LEU A 263 9.097 2.683 -7.878 1.00 15.00 C ATOM 533 CD2 LEU A 263 11.462 2.739 -7.073 1.00 15.00 C ATOM 0 H LEU A 263 9.707 4.994 -4.461 1.00 15.00 H new ATOM 0 HA LEU A 263 12.019 5.098 -6.129 1.00 15.00 H new ATOM 0 HB2 LEU A 263 9.033 5.152 -6.711 1.00 15.00 H new ATOM 0 HB3 LEU A 263 10.256 5.097 -7.964 1.00 15.00 H new ATOM 0 HG LEU A 263 9.729 2.984 -5.858 1.00 15.00 H new ATOM 0 HD11 LEU A 263 9.119 1.595 -7.808 1.00 15.00 H new ATOM 0 HD12 LEU A 263 8.086 3.039 -7.679 1.00 15.00 H new ATOM 0 HD13 LEU A 263 9.398 2.988 -8.880 1.00 15.00 H new ATOM 0 HD21 LEU A 263 11.449 1.651 -7.011 1.00 15.00 H new ATOM 0 HD22 LEU A 263 11.820 3.042 -8.057 1.00 15.00 H new ATOM 0 HD23 LEU A 263 12.127 3.138 -6.307 1.00 15.00 H new ATOM 545 N ASP A 264 10.621 7.882 -5.510 1.00 15.00 N ATOM 546 CA ASP A 264 10.593 9.317 -5.807 1.00 15.00 C ATOM 547 C ASP A 264 11.994 9.906 -6.061 1.00 15.00 C ATOM 548 O ASP A 264 12.188 10.633 -7.035 1.00 15.00 O ATOM 549 CB ASP A 264 9.868 10.100 -4.707 1.00 15.00 C ATOM 550 CG ASP A 264 9.810 11.585 -5.002 1.00 15.00 C ATOM 551 OD1 ASP A 264 9.033 11.989 -5.889 1.00 15.00 O1- ATOM 552 OD2 ASP A 264 10.544 12.357 -4.349 1.00 15.00 O ATOM 0 H ASP A 264 10.258 7.631 -4.590 1.00 15.00 H new ATOM 0 HA ASP A 264 10.033 9.423 -6.736 1.00 15.00 H new ATOM 0 HB2 ASP A 264 8.855 9.714 -4.597 1.00 15.00 H new ATOM 0 HB3 ASP A 264 10.375 9.940 -3.756 1.00 15.00 H new ATOM 557 N PRO A 265 12.971 9.657 -5.170 1.00 15.00 N ATOM 558 CA PRO A 265 14.376 10.000 -5.421 1.00 15.00 C ATOM 559 C PRO A 265 14.967 9.187 -6.572 1.00 15.00 C ATOM 560 O PRO A 265 15.031 9.715 -7.701 1.00 15.00 O ATOM 561 CB PRO A 265 15.080 9.656 -4.103 1.00 15.00 C ATOM 562 CG PRO A 265 14.172 8.691 -3.423 1.00 15.00 C ATOM 563 CD PRO A 265 12.782 9.077 -3.838 1.00 15.00 C ATOM 564 OXT PRO A 265 15.353 8.018 -6.350 1.00 15.00 O ATOM 0 HA PRO A 265 14.493 11.044 -5.713 1.00 15.00 H new ATOM 0 HB2 PRO A 265 16.061 9.216 -4.282 1.00 15.00 H new ATOM 0 HB3 PRO A 265 15.237 10.547 -3.495 1.00 15.00 H new ATOM 0 HG2 PRO A 265 14.398 7.666 -3.718 1.00 15.00 H new ATOM 0 HG3 PRO A 265 14.286 8.743 -2.340 1.00 15.00 H new ATOM 0 HD2 PRO A 265 12.117 8.213 -3.867 1.00 15.00 H new ATOM 0 HD3 PRO A 265 12.342 9.795 -3.146 1.00 15.00 H new ATOM 573 N SER B 206 -7.818 10.390 -4.704 1.00 15.00 N ATOM 574 CA SER B 206 -8.291 9.114 -4.136 1.00 15.00 C ATOM 575 C SER B 206 -7.411 8.687 -2.964 1.00 15.00 C ATOM 576 O SER B 206 -6.198 8.513 -3.110 1.00 15.00 O ATOM 577 CB SER B 206 -8.297 8.030 -5.219 1.00 15.00 C ATOM 578 OG SER B 206 -7.025 7.917 -5.838 1.00 15.00 O ATOM 0 HA SER B 206 -9.307 9.253 -3.767 1.00 15.00 H new ATOM 0 HB2 SER B 206 -8.576 7.073 -4.778 1.00 15.00 H new ATOM 0 HB3 SER B 206 -9.050 8.267 -5.970 1.00 15.00 H new ATOM 0 HG SER B 206 -6.552 8.773 -5.772 1.00 15.00 H new ATOM 586 N PRO B 207 -8.003 8.539 -1.774 1.00 15.00 N ATOM 587 CA PRO B 207 -7.302 7.997 -0.614 1.00 15.00 C ATOM 588 C PRO B 207 -7.234 6.473 -0.679 1.00 15.00 C ATOM 589 O PRO B 207 -8.217 5.822 -1.037 1.00 15.00 O ATOM 590 CB PRO B 207 -8.170 8.456 0.557 1.00 15.00 C ATOM 591 CG PRO B 207 -9.550 8.549 -0.001 1.00 15.00 C ATOM 592 CD PRO B 207 -9.401 8.898 -1.461 1.00 15.00 C ATOM 0 HA PRO B 207 -6.268 8.333 -0.541 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -8.125 7.747 1.384 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -7.835 9.418 0.944 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.081 7.605 0.120 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.129 9.310 0.522 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.104 8.339 -2.079 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -9.591 9.956 -1.640 1.00 15.00 H new ATOM 600 N PRO B 208 -6.078 5.879 -0.347 1.00 15.00 N ATOM 601 CA PRO B 208 -5.917 4.429 -0.383 1.00 15.00 C ATOM 602 C PRO B 208 -6.792 3.755 0.668 1.00 15.00 C ATOM 603 O PRO B 208 -6.857 4.206 1.815 1.00 15.00 O ATOM 604 CB PRO B 208 -4.422 4.214 -0.093 1.00 15.00 C ATOM 605 CG PRO B 208 -3.796 5.557 -0.269 1.00 15.00 C ATOM 606 CD PRO B 208 -4.854 6.546 0.107 1.00 15.00 C ATOM 0 HA PRO B 208 -6.221 3.995 -1.335 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.267 3.836 0.917 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -3.989 3.484 -0.777 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -2.915 5.665 0.364 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.469 5.705 -1.298 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -4.869 6.738 1.180 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -4.707 7.507 -0.387 1.00 15.00 H new ATOM 614 N PRO B 209 -7.462 2.661 0.274 1.00 15.00 N ATOM 615 CA PRO B 209 -8.426 1.937 1.114 1.00 15.00 C ATOM 616 C PRO B 209 -7.894 1.637 2.511 1.00 15.00 C ATOM 617 O PRO B 209 -6.702 1.386 2.685 1.00 15.00 O ATOM 618 CB PRO B 209 -8.656 0.626 0.347 1.00 15.00 C ATOM 619 CG PRO B 209 -7.626 0.607 -0.734 1.00 15.00 C ATOM 620 CD PRO B 209 -7.337 2.037 -1.041 1.00 15.00 C ATOM 0 HA PRO B 209 -9.329 2.525 1.277 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.550 -0.237 1.005 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.662 0.587 -0.070 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.725 0.087 -0.408 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -7.994 0.084 -1.616 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.341 2.170 -1.463 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -8.045 2.452 -1.758 1.00 15.00 H new ATOM 628 N PRO B 210 -8.794 1.640 3.511 1.00 15.00 N ATOM 629 CA PRO B 210 -8.435 1.429 4.917 1.00 15.00 C ATOM 630 C PRO B 210 -7.546 0.209 5.124 1.00 15.00 C ATOM 631 O PRO B 210 -7.854 -0.887 4.666 1.00 15.00 O ATOM 632 CB PRO B 210 -9.787 1.220 5.600 1.00 15.00 C ATOM 633 CG PRO B 210 -10.756 1.963 4.750 1.00 15.00 C ATOM 634 CD PRO B 210 -10.244 1.853 3.342 1.00 15.00 C ATOM 0 HA PRO B 210 -7.860 2.266 5.314 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.042 0.162 5.659 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -9.779 1.604 6.620 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.756 1.537 4.836 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -10.826 3.006 5.059 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.711 1.024 2.810 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.452 2.757 2.769 1.00 15.00 H new ATOM 642 N TYR B 211 -6.456 0.423 5.848 1.00 15.00 N ATOM 643 CA TYR B 211 -5.456 -0.610 6.114 1.00 15.00 C ATOM 644 C TYR B 211 -6.043 -1.798 6.896 1.00 15.00 C ATOM 645 O TYR B 211 -5.404 -2.841 7.038 1.00 15.00 O ATOM 646 CB TYR B 211 -4.273 0.048 6.848 1.00 15.00 C ATOM 647 CG TYR B 211 -3.415 -0.876 7.682 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.563 -1.804 7.099 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.454 -0.802 9.067 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.780 -2.636 7.877 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.676 -1.623 9.851 1.00 15.00 C ATOM 652 CZ TYR B 211 -1.840 -2.540 9.252 1.00 15.00 C ATOM 653 OH TYR B 211 -1.064 -3.369 10.029 1.00 15.00 O ATOM 0 H TYR B 211 -6.236 1.324 6.272 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.107 -1.034 5.172 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.637 0.534 6.108 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.664 0.832 7.496 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.511 -1.877 6.023 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -4.109 -0.085 9.540 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -1.125 -3.357 7.411 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.720 -1.549 10.928 1.00 15.00 H new ATOM 0 HH TYR B 211 -0.666 -4.066 9.467 1.00 15.00 H new ATOM 663 N SER B 212 -7.264 -1.643 7.387 1.00 15.00 N ATOM 664 CA SER B 212 -7.924 -2.699 8.139 1.00 15.00 C ATOM 665 C SER B 212 -8.186 -3.932 7.269 1.00 15.00 C ATOM 666 O SER B 212 -7.975 -5.063 7.710 1.00 15.00 O ATOM 667 CB SER B 212 -9.228 -2.175 8.736 1.00 15.00 C ATOM 668 OG SER B 212 -8.975 -1.053 9.568 1.00 15.00 O ATOM 0 H SER B 212 -7.818 -0.794 7.277 1.00 15.00 H new ATOM 0 HA SER B 212 -7.259 -3.006 8.946 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.915 -1.896 7.937 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.713 -2.962 9.313 1.00 15.00 H new ATOM 0 HG SER B 212 -9.820 -0.726 9.943 1.00 15.00 H new ATOM 674 N ARG B 213 -8.669 -3.722 6.045 1.00 15.00 N ATOM 675 CA ARG B 213 -8.879 -4.832 5.127 1.00 15.00 C ATOM 676 C ARG B 213 -8.719 -4.382 3.675 1.00 15.00 C ATOM 677 O ARG B 213 -8.766 -3.193 3.372 1.00 15.00 O ATOM 678 CB ARG B 213 -10.244 -5.485 5.321 1.00 15.00 C ATOM 679 CG ARG B 213 -10.283 -6.896 4.758 1.00 15.00 C ATOM 680 CD ARG B 213 -9.829 -7.923 5.779 1.00 15.00 C ATOM 681 NE ARG B 213 -10.853 -8.194 6.784 1.00 15.00 N ATOM 682 CZ ARG B 213 -10.628 -8.869 7.909 1.00 15.00 C ATOM 683 NH1 ARG B 213 -9.400 -9.269 8.220 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -11.634 -9.129 8.733 1.00 15.00 N ATOM 0 H ARG B 213 -8.918 -2.805 5.673 1.00 15.00 H new ATOM 0 HA ARG B 213 -8.115 -5.576 5.354 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.486 -5.511 6.383 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -11.009 -4.879 4.835 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -11.297 -7.130 4.433 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.645 -6.953 3.876 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.570 -8.850 5.268 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.924 -7.567 6.272 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.796 -7.846 6.614 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.622 -9.059 7.595 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -9.235 -9.786 9.084 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -12.576 -8.812 8.504 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -11.466 -9.646 9.596 1.00 15.00 H new ATOM 698 N TYR B 214 -8.585 -5.356 2.784 1.00 15.00 N ATOM 699 CA TYR B 214 -8.239 -5.106 1.393 1.00 15.00 C ATOM 700 C TYR B 214 -9.505 -4.906 0.568 1.00 15.00 C ATOM 701 O TYR B 214 -10.470 -5.658 0.714 1.00 15.00 O ATOM 702 CB TYR B 214 -7.431 -6.293 0.847 1.00 15.00 C ATOM 703 CG TYR B 214 -6.553 -6.961 1.889 1.00 15.00 C ATOM 704 CD1 TYR B 214 -5.920 -6.218 2.878 1.00 15.00 C ATOM 705 CD2 TYR B 214 -6.385 -8.340 1.903 1.00 15.00 C ATOM 706 CE1 TYR B 214 -5.156 -6.822 3.847 1.00 15.00 C ATOM 707 CE2 TYR B 214 -5.610 -8.953 2.870 1.00 15.00 C ATOM 708 CZ TYR B 214 -4.999 -8.187 3.841 1.00 15.00 C ATOM 709 OH TYR B 214 -4.241 -8.790 4.818 1.00 15.00 O ATOM 0 H TYR B 214 -8.714 -6.343 3.007 1.00 15.00 H new ATOM 0 HA TYR B 214 -7.635 -4.201 1.327 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.119 -7.032 0.436 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.805 -5.948 0.024 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.031 -5.144 2.885 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.867 -8.942 1.147 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -4.680 -6.226 4.611 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -5.484 -10.026 2.865 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.230 -9.759 4.672 1.00 15.00 H new ATOM 719 N PRO B 215 -9.518 -3.893 -0.309 1.00 15.00 N ATOM 720 CA PRO B 215 -10.689 -3.556 -1.120 1.00 15.00 C ATOM 721 C PRO B 215 -10.997 -4.602 -2.187 1.00 15.00 C ATOM 722 O PRO B 215 -10.193 -4.848 -3.093 1.00 15.00 O ATOM 723 CB PRO B 215 -10.296 -2.233 -1.779 1.00 15.00 C ATOM 724 CG PRO B 215 -8.810 -2.288 -1.841 1.00 15.00 C ATOM 725 CD PRO B 215 -8.385 -2.996 -0.586 1.00 15.00 C ATOM 0 HA PRO B 215 -11.592 -3.502 -0.512 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -10.733 -2.137 -2.773 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -10.640 -1.379 -1.195 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -8.473 -2.824 -2.728 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -8.381 -1.287 -1.892 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.458 -3.551 -0.730 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.214 -2.297 0.233 1.00 15.00 H new