USER MOD reduce.3.24.130724 H: found=0, std=0, add=344, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 348 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 HE2:sc= -0.0728 F(o=-3.9!,f=0.23) USER MOD Set 1.2: B 227 TYR OH : rot -63:sc= 0.308 USER MOD Set 2.1: A 250 ASN : amide:sc= -1.81 K(o=-3.1,f=-5!) USER MOD Set 2.2: A 253 ASN :FLIP amide:sc= -1.29 F(o=-4.3,f=-3.1) USER MOD Set 3.1: A 238 GLN : amide:sc= 0.00822 K(o=-0.99,f=-2.4) USER MOD Set 3.2: A 248 TYR OH : rot -54:sc= -1 USER MOD Single : A 240 MET CE :methyl 164:sc= -0.0954 (180deg=-0.494) USER MOD Single : A 241 THR OG1 : rot 62:sc= 0.191 USER MOD Single : A 242 GLN : amide:sc= 0.957 K(o=0.96,f=-0.79) USER MOD Single : A 247 TYR OH : rot 158:sc= -0.857 USER MOD Single : A 252 LYS NZ :NH3+ -151:sc= -0.386 (180deg=-1.31) USER MOD Single : A 254 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0498) USER MOD Single : A 255 THR OG1 : rot 180:sc= -2.63! USER MOD Single : A 256 THR OG1 : rot 93:sc= -1.8 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot -21:sc= 0.231 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 7.117 4.636 9.699 1.00 15.00 N ATOM 2 CA GLY A 230 7.214 4.434 8.231 1.00 15.00 C ATOM 3 C GLY A 230 7.000 5.729 7.473 1.00 15.00 C ATOM 4 O GLY A 230 5.936 6.336 7.578 1.00 15.00 O ATOM 0 HA2 GLY A 230 8.194 4.025 7.984 1.00 15.00 H new ATOM 0 HA3 GLY A 230 6.473 3.700 7.915 1.00 15.00 H new ATOM 8 N PRO A 231 7.993 6.181 6.695 1.00 15.00 N ATOM 9 CA PRO A 231 7.955 7.439 5.986 1.00 15.00 C ATOM 10 C PRO A 231 7.652 7.219 4.516 1.00 15.00 C ATOM 11 O PRO A 231 8.529 6.804 3.753 1.00 15.00 O ATOM 12 CB PRO A 231 9.397 7.935 6.166 1.00 15.00 C ATOM 13 CG PRO A 231 10.213 6.698 6.477 1.00 15.00 C ATOM 14 CD PRO A 231 9.261 5.527 6.401 1.00 15.00 C ATOM 0 HA PRO A 231 7.192 8.129 6.346 1.00 15.00 H new ATOM 0 HB2 PRO A 231 9.759 8.427 5.263 1.00 15.00 H new ATOM 0 HB3 PRO A 231 9.464 8.663 6.974 1.00 15.00 H new ATOM 0 HG2 PRO A 231 11.029 6.582 5.764 1.00 15.00 H new ATOM 0 HG3 PRO A 231 10.663 6.769 7.467 1.00 15.00 H new ATOM 0 HD2 PRO A 231 9.264 5.056 5.418 1.00 15.00 H new ATOM 0 HD3 PRO A 231 9.503 4.751 7.127 1.00 15.00 H new ATOM 22 N LEU A 232 6.415 7.433 4.105 1.00 15.00 N ATOM 23 CA LEU A 232 6.051 7.033 2.762 1.00 15.00 C ATOM 24 C LEU A 232 6.467 8.086 1.766 1.00 15.00 C ATOM 25 O LEU A 232 6.654 9.247 2.123 1.00 15.00 O ATOM 26 CB LEU A 232 4.564 6.704 2.574 1.00 15.00 C ATOM 27 CG LEU A 232 3.994 5.588 3.462 1.00 15.00 C ATOM 28 CD1 LEU A 232 5.079 4.854 4.243 1.00 15.00 C ATOM 29 CD2 LEU A 232 2.956 6.133 4.414 1.00 15.00 C ATOM 0 H LEU A 232 5.673 7.864 4.657 1.00 15.00 H new ATOM 0 HA LEU A 232 6.591 6.103 2.585 1.00 15.00 H new ATOM 0 HB2 LEU A 232 3.988 7.612 2.754 1.00 15.00 H new ATOM 0 HB3 LEU A 232 4.405 6.427 1.532 1.00 15.00 H new ATOM 0 HG LEU A 232 3.525 4.868 2.792 1.00 15.00 H new ATOM 0 HD11 LEU A 232 4.623 4.075 4.855 1.00 15.00 H new ATOM 0 HD12 LEU A 232 5.785 4.402 3.547 1.00 15.00 H new ATOM 0 HD13 LEU A 232 5.605 5.560 4.886 1.00 15.00 H new ATOM 0 HD21 LEU A 232 2.568 5.323 5.032 1.00 15.00 H new ATOM 0 HD22 LEU A 232 3.410 6.891 5.053 1.00 15.00 H new ATOM 0 HD23 LEU A 232 2.140 6.579 3.846 1.00 15.00 H new ATOM 41 N PRO A 233 6.576 7.698 0.491 1.00 15.00 N ATOM 42 CA PRO A 233 7.072 8.585 -0.556 1.00 15.00 C ATOM 43 C PRO A 233 6.199 9.826 -0.709 1.00 15.00 C ATOM 44 O PRO A 233 6.684 10.955 -0.779 1.00 15.00 O ATOM 45 CB PRO A 233 6.967 7.729 -1.808 1.00 15.00 C ATOM 46 CG PRO A 233 6.918 6.306 -1.337 1.00 15.00 C ATOM 47 CD PRO A 233 6.186 6.372 -0.041 1.00 15.00 C ATOM 0 HA PRO A 233 8.077 8.951 -0.345 1.00 15.00 H new ATOM 0 HB2 PRO A 233 6.073 7.981 -2.379 1.00 15.00 H new ATOM 0 HB3 PRO A 233 7.821 7.893 -2.465 1.00 15.00 H new ATOM 0 HG2 PRO A 233 6.401 5.667 -2.054 1.00 15.00 H new ATOM 0 HG3 PRO A 233 7.919 5.895 -1.208 1.00 15.00 H new ATOM 0 HD2 PRO A 233 5.108 6.294 -0.181 1.00 15.00 H new ATOM 0 HD3 PRO A 233 6.479 5.565 0.630 1.00 15.00 H new ATOM 55 N ASP A 234 4.902 9.588 -0.782 1.00 15.00 N ATOM 56 CA ASP A 234 3.917 10.651 -0.910 1.00 15.00 C ATOM 57 C ASP A 234 3.131 10.798 0.382 1.00 15.00 C ATOM 58 O ASP A 234 2.343 11.727 0.541 1.00 15.00 O ATOM 59 CB ASP A 234 2.950 10.358 -2.062 1.00 15.00 C ATOM 60 CG ASP A 234 3.622 10.346 -3.418 1.00 15.00 C ATOM 61 OD1 ASP A 234 4.311 9.355 -3.740 1.00 15.00 O1- ATOM 62 OD2 ASP A 234 3.450 11.321 -4.175 1.00 15.00 O ATOM 0 H ASP A 234 4.499 8.651 -0.754 1.00 15.00 H new ATOM 0 HA ASP A 234 4.448 11.580 -1.120 1.00 15.00 H new ATOM 0 HB2 ASP A 234 2.474 9.392 -1.891 1.00 15.00 H new ATOM 0 HB3 ASP A 234 2.159 11.108 -2.063 1.00 15.00 H new ATOM 67 N GLY A 235 3.324 9.843 1.285 1.00 15.00 N ATOM 68 CA GLY A 235 2.494 9.755 2.467 1.00 15.00 C ATOM 69 C GLY A 235 1.287 8.883 2.203 1.00 15.00 C ATOM 70 O GLY A 235 0.146 9.320 2.346 1.00 15.00 O ATOM 0 H GLY A 235 4.046 9.125 1.216 1.00 15.00 H new ATOM 0 HA2 GLY A 235 3.072 9.345 3.295 1.00 15.00 H new ATOM 0 HA3 GLY A 235 2.171 10.752 2.767 1.00 15.00 H new ATOM 74 N TRP A 236 1.544 7.650 1.781 1.00 15.00 N ATOM 75 CA TRP A 236 0.474 6.742 1.402 1.00 15.00 C ATOM 76 C TRP A 236 0.590 5.392 2.084 1.00 15.00 C ATOM 77 O TRP A 236 1.677 4.870 2.240 1.00 15.00 O ATOM 78 CB TRP A 236 0.400 6.602 -0.100 1.00 15.00 C ATOM 79 CG TRP A 236 1.667 6.278 -0.854 1.00 15.00 C ATOM 80 CD1 TRP A 236 2.774 7.066 -1.092 1.00 15.00 C ATOM 81 CD2 TRP A 236 1.905 5.069 -1.580 1.00 15.00 C ATOM 82 NE1 TRP A 236 3.570 6.453 -1.998 1.00 15.00 N ATOM 83 CE2 TRP A 236 3.093 5.224 -2.279 1.00 15.00 C ATOM 84 CE3 TRP A 236 1.226 3.878 -1.731 1.00 15.00 C ATOM 85 CZ2 TRP A 236 3.609 4.244 -3.113 1.00 15.00 C ATOM 86 CZ3 TRP A 236 1.770 2.920 -2.571 1.00 15.00 C ATOM 87 CH2 TRP A 236 2.933 3.103 -3.241 1.00 15.00 C ATOM 0 H TRP A 236 2.482 7.259 1.694 1.00 15.00 H new ATOM 0 HA TRP A 236 -0.461 7.180 1.750 1.00 15.00 H new ATOM 0 HB2 TRP A 236 -0.329 5.823 -0.325 1.00 15.00 H new ATOM 0 HB3 TRP A 236 0.004 7.535 -0.501 1.00 15.00 H new ATOM 0 HD1 TRP A 236 2.974 8.021 -0.629 1.00 15.00 H new ATOM 0 HE1 TRP A 236 4.409 6.862 -2.409 1.00 15.00 H new ATOM 0 HE3 TRP A 236 0.298 3.698 -1.210 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 4.535 4.401 -3.645 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 1.243 1.986 -2.697 1.00 15.00 H new ATOM 0 HH2 TRP A 236 3.314 2.321 -3.881 1.00 15.00 H new ATOM 98 N GLU A 237 -0.538 4.740 2.316 1.00 15.00 N ATOM 99 CA GLU A 237 -0.682 3.905 3.497 1.00 15.00 C ATOM 100 C GLU A 237 -0.231 2.488 3.279 1.00 15.00 C ATOM 101 O GLU A 237 -0.463 1.861 2.244 1.00 15.00 O ATOM 102 CB GLU A 237 -2.147 3.905 3.939 1.00 15.00 C ATOM 103 CG GLU A 237 -2.479 3.031 5.147 1.00 15.00 C ATOM 104 CD GLU A 237 -1.753 3.497 6.396 1.00 15.00 C ATOM 105 OE1 GLU A 237 -2.291 4.376 7.105 1.00 15.00 O ATOM 106 OE2 GLU A 237 -0.632 3.018 6.657 1.00 15.00 O1- ATOM 0 H GLU A 237 -1.358 4.772 1.710 1.00 15.00 H new ATOM 0 HA GLU A 237 -0.039 4.330 4.268 1.00 15.00 H new ATOM 0 HB2 GLU A 237 -2.438 4.931 4.166 1.00 15.00 H new ATOM 0 HB3 GLU A 237 -2.760 3.578 3.099 1.00 15.00 H new ATOM 0 HG2 GLU A 237 -3.554 3.048 5.324 1.00 15.00 H new ATOM 0 HG3 GLU A 237 -2.208 1.997 4.933 1.00 15.00 H new ATOM 113 N GLN A 238 0.385 2.019 4.341 1.00 15.00 N ATOM 114 CA GLN A 238 0.997 0.713 4.414 1.00 15.00 C ATOM 115 C GLN A 238 0.321 -0.090 5.501 1.00 15.00 C ATOM 116 O GLN A 238 0.487 0.176 6.695 1.00 15.00 O ATOM 117 CB GLN A 238 2.493 0.809 4.709 1.00 15.00 C ATOM 118 CG GLN A 238 3.141 -0.539 4.980 1.00 15.00 C ATOM 119 CD GLN A 238 3.874 -0.568 6.306 1.00 15.00 C ATOM 120 OE1 GLN A 238 5.063 -0.267 6.383 1.00 15.00 O ATOM 121 NE2 GLN A 238 3.162 -0.912 7.365 1.00 15.00 N ATOM 0 H GLN A 238 0.476 2.554 5.205 1.00 15.00 H new ATOM 0 HA GLN A 238 0.876 0.224 3.447 1.00 15.00 H new ATOM 0 HB2 GLN A 238 2.993 1.281 3.863 1.00 15.00 H new ATOM 0 HB3 GLN A 238 2.645 1.457 5.572 1.00 15.00 H new ATOM 0 HG2 GLN A 238 2.376 -1.315 4.973 1.00 15.00 H new ATOM 0 HG3 GLN A 238 3.839 -0.772 4.176 1.00 15.00 H new ATOM 0 HE21 GLN A 238 2.177 -1.155 7.260 1.00 15.00 H new ATOM 0 HE22 GLN A 238 3.598 -0.934 8.287 1.00 15.00 H new ATOM 130 N ALA A 239 -0.443 -1.062 5.088 1.00 15.00 N ATOM 131 CA ALA A 239 -1.228 -1.838 6.013 1.00 15.00 C ATOM 132 C ALA A 239 -0.914 -3.311 5.874 1.00 15.00 C ATOM 133 O ALA A 239 -0.544 -3.779 4.796 1.00 15.00 O ATOM 134 CB ALA A 239 -2.695 -1.571 5.792 1.00 15.00 C ATOM 0 H ALA A 239 -0.541 -1.339 4.111 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.973 -1.540 7.030 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.282 -2.161 6.495 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -2.900 -0.512 5.948 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.965 -1.846 4.773 1.00 15.00 H new ATOM 140 N MET A 240 -1.052 -4.036 6.965 1.00 15.00 N ATOM 141 CA MET A 240 -0.707 -5.440 6.977 1.00 15.00 C ATOM 142 C MET A 240 -1.917 -6.263 6.582 1.00 15.00 C ATOM 143 O MET A 240 -2.886 -6.369 7.331 1.00 15.00 O ATOM 144 CB MET A 240 -0.214 -5.864 8.363 1.00 15.00 C ATOM 145 CG MET A 240 1.014 -5.100 8.834 1.00 15.00 C ATOM 146 SD MET A 240 1.503 -5.523 10.518 1.00 15.00 S ATOM 147 CE MET A 240 1.844 -7.274 10.349 1.00 15.00 C ATOM 0 H MET A 240 -1.400 -3.676 7.853 1.00 15.00 H new ATOM 0 HA MET A 240 0.097 -5.610 6.261 1.00 15.00 H new ATOM 0 HB2 MET A 240 -1.019 -5.722 9.085 1.00 15.00 H new ATOM 0 HB3 MET A 240 0.015 -6.929 8.347 1.00 15.00 H new ATOM 0 HG2 MET A 240 1.844 -5.305 8.158 1.00 15.00 H new ATOM 0 HG3 MET A 240 0.813 -4.030 8.777 1.00 15.00 H new ATOM 0 HE1 MET A 240 2.419 -7.617 11.209 1.00 15.00 H new ATOM 0 HE2 MET A 240 0.905 -7.824 10.297 1.00 15.00 H new ATOM 0 HE3 MET A 240 2.416 -7.447 9.438 1.00 15.00 H new ATOM 157 N THR A 241 -1.854 -6.822 5.389 1.00 15.00 N ATOM 158 CA THR A 241 -2.934 -7.624 4.866 1.00 15.00 C ATOM 159 C THR A 241 -2.700 -9.070 5.287 1.00 15.00 C ATOM 160 O THR A 241 -1.551 -9.474 5.476 1.00 15.00 O ATOM 161 CB THR A 241 -3.063 -7.486 3.328 1.00 15.00 C ATOM 162 OG1 THR A 241 -4.418 -7.737 2.934 1.00 15.00 O ATOM 163 CG2 THR A 241 -2.124 -8.437 2.589 1.00 15.00 C ATOM 0 H THR A 241 -1.056 -6.732 4.761 1.00 15.00 H new ATOM 0 HA THR A 241 -3.881 -7.272 5.275 1.00 15.00 H new ATOM 0 HB THR A 241 -2.779 -6.468 3.060 1.00 15.00 H new ATOM 0 HG1 THR A 241 -5.007 -7.072 3.347 1.00 15.00 H new ATOM 0 HG21 THR A 241 -2.247 -8.307 1.514 1.00 15.00 H new ATOM 0 HG22 THR A 241 -1.093 -8.218 2.865 1.00 15.00 H new ATOM 0 HG23 THR A 241 -2.361 -9.466 2.860 1.00 15.00 H new ATOM 171 N GLN A 242 -3.781 -9.827 5.452 1.00 15.00 N ATOM 172 CA GLN A 242 -3.748 -11.111 6.162 1.00 15.00 C ATOM 173 C GLN A 242 -2.797 -12.110 5.511 1.00 15.00 C ATOM 174 O GLN A 242 -2.294 -13.019 6.168 1.00 15.00 O ATOM 175 CB GLN A 242 -5.143 -11.731 6.184 1.00 15.00 C ATOM 176 CG GLN A 242 -6.269 -10.738 6.433 1.00 15.00 C ATOM 177 CD GLN A 242 -6.030 -9.827 7.622 1.00 15.00 C ATOM 178 OE1 GLN A 242 -5.360 -10.192 8.587 1.00 15.00 O ATOM 179 NE2 GLN A 242 -6.586 -8.632 7.551 1.00 15.00 N ATOM 0 H GLN A 242 -4.704 -9.573 5.100 1.00 15.00 H new ATOM 0 HA GLN A 242 -3.396 -10.901 7.172 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -5.320 -12.231 5.232 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -5.174 -12.498 6.958 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -6.406 -10.127 5.541 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -7.197 -11.287 6.589 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -7.134 -8.372 6.731 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -6.468 -7.968 8.316 1.00 15.00 H new ATOM 188 N ASP A 243 -2.597 -11.960 4.213 1.00 15.00 N ATOM 189 CA ASP A 243 -1.632 -12.773 3.466 1.00 15.00 C ATOM 190 C ASP A 243 -0.206 -12.559 3.980 1.00 15.00 C ATOM 191 O ASP A 243 0.703 -13.340 3.701 1.00 15.00 O ATOM 192 CB ASP A 243 -1.684 -12.397 2.001 1.00 15.00 C ATOM 193 CG ASP A 243 -0.934 -13.379 1.125 1.00 15.00 C ATOM 194 OD1 ASP A 243 -1.312 -14.572 1.107 1.00 15.00 O ATOM 195 OD2 ASP A 243 0.024 -12.968 0.445 1.00 15.00 O1- ATOM 0 H ASP A 243 -3.093 -11.276 3.642 1.00 15.00 H new ATOM 0 HA ASP A 243 -1.898 -13.821 3.603 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -2.724 -12.347 1.678 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -1.262 -11.401 1.869 1.00 15.00 H new ATOM 200 N GLY A 244 -0.041 -11.494 4.734 1.00 15.00 N ATOM 201 CA GLY A 244 1.243 -11.154 5.325 1.00 15.00 C ATOM 202 C GLY A 244 2.073 -10.253 4.435 1.00 15.00 C ATOM 203 O GLY A 244 3.284 -10.424 4.308 1.00 15.00 O ATOM 0 H GLY A 244 -0.789 -10.838 4.957 1.00 15.00 H new ATOM 0 HA2 GLY A 244 1.079 -10.661 6.283 1.00 15.00 H new ATOM 0 HA3 GLY A 244 1.799 -12.069 5.529 1.00 15.00 H new ATOM 207 N GLU A 245 1.408 -9.268 3.844 1.00 15.00 N ATOM 208 CA GLU A 245 2.072 -8.252 3.032 1.00 15.00 C ATOM 209 C GLU A 245 1.692 -6.866 3.533 1.00 15.00 C ATOM 210 O GLU A 245 0.511 -6.580 3.751 1.00 15.00 O ATOM 211 CB GLU A 245 1.675 -8.386 1.556 1.00 15.00 C ATOM 212 CG GLU A 245 2.302 -9.580 0.854 1.00 15.00 C ATOM 213 CD GLU A 245 3.795 -9.426 0.635 1.00 15.00 C ATOM 214 OE1 GLU A 245 4.580 -9.783 1.537 1.00 15.00 O ATOM 215 OE2 GLU A 245 4.193 -8.960 -0.453 1.00 15.00 O1- ATOM 0 H GLU A 245 0.397 -9.150 3.913 1.00 15.00 H new ATOM 0 HA GLU A 245 3.149 -8.395 3.118 1.00 15.00 H new ATOM 0 HB2 GLU A 245 0.590 -8.466 1.488 1.00 15.00 H new ATOM 0 HB3 GLU A 245 1.961 -7.476 1.029 1.00 15.00 H new ATOM 0 HG2 GLU A 245 2.118 -10.478 1.444 1.00 15.00 H new ATOM 0 HG3 GLU A 245 1.813 -9.725 -0.109 1.00 15.00 H new ATOM 222 N ILE A 246 2.688 -6.015 3.721 1.00 15.00 N ATOM 223 CA ILE A 246 2.437 -4.632 4.090 1.00 15.00 C ATOM 224 C ILE A 246 2.301 -3.792 2.824 1.00 15.00 C ATOM 225 O ILE A 246 3.283 -3.308 2.269 1.00 15.00 O ATOM 226 CB ILE A 246 3.541 -4.060 5.021 1.00 15.00 C ATOM 227 CG1 ILE A 246 4.924 -4.092 4.350 1.00 15.00 C ATOM 228 CG2 ILE A 246 3.569 -4.831 6.333 1.00 15.00 C ATOM 229 CD1 ILE A 246 6.064 -3.681 5.260 1.00 15.00 C ATOM 0 H ILE A 246 3.674 -6.257 3.624 1.00 15.00 H new ATOM 0 HA ILE A 246 1.507 -4.594 4.657 1.00 15.00 H new ATOM 0 HB ILE A 246 3.300 -3.017 5.223 1.00 15.00 H new ATOM 0 HG12 ILE A 246 5.113 -5.100 3.981 1.00 15.00 H new ATOM 0 HG13 ILE A 246 4.910 -3.432 3.482 1.00 15.00 H new ATOM 0 HG21 ILE A 246 4.346 -4.422 6.979 1.00 15.00 H new ATOM 0 HG22 ILE A 246 2.602 -4.742 6.828 1.00 15.00 H new ATOM 0 HG23 ILE A 246 3.779 -5.882 6.133 1.00 15.00 H new ATOM 0 HD11 ILE A 246 7.004 -3.731 4.711 1.00 15.00 H new ATOM 0 HD12 ILE A 246 5.901 -2.661 5.609 1.00 15.00 H new ATOM 0 HD13 ILE A 246 6.108 -4.355 6.116 1.00 15.00 H new ATOM 241 N TYR A 247 1.073 -3.596 2.376 1.00 15.00 N ATOM 242 CA TYR A 247 0.854 -3.046 1.049 1.00 15.00 C ATOM 243 C TYR A 247 0.799 -1.526 1.110 1.00 15.00 C ATOM 244 O TYR A 247 0.397 -0.943 2.116 1.00 15.00 O ATOM 245 CB TYR A 247 -0.429 -3.634 0.392 1.00 15.00 C ATOM 246 CG TYR A 247 -1.749 -3.016 0.847 1.00 15.00 C ATOM 247 CD1 TYR A 247 -1.982 -1.655 0.715 1.00 15.00 C ATOM 248 CD2 TYR A 247 -2.756 -3.796 1.400 1.00 15.00 C ATOM 249 CE1 TYR A 247 -3.148 -1.077 1.121 1.00 15.00 C ATOM 250 CE2 TYR A 247 -3.949 -3.228 1.815 1.00 15.00 C ATOM 251 CZ TYR A 247 -4.139 -1.862 1.679 1.00 15.00 C ATOM 252 OH TYR A 247 -5.325 -1.292 2.088 1.00 15.00 O ATOM 0 H TYR A 247 0.224 -3.805 2.902 1.00 15.00 H new ATOM 0 HA TYR A 247 1.696 -3.333 0.419 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -0.348 -3.517 -0.689 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -0.461 -4.704 0.595 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -1.215 -1.033 0.277 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -2.607 -4.860 1.508 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -3.296 -0.013 1.007 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.726 -3.845 2.242 1.00 15.00 H new ATOM 0 HH TYR A 247 -6.023 -1.979 2.122 1.00 15.00 H new ATOM 262 N TYR A 248 1.212 -0.918 0.023 1.00 15.00 N ATOM 263 CA TYR A 248 1.188 0.521 -0.157 1.00 15.00 C ATOM 264 C TYR A 248 0.139 0.915 -1.195 1.00 15.00 C ATOM 265 O TYR A 248 0.196 0.468 -2.332 1.00 15.00 O ATOM 266 CB TYR A 248 2.582 0.967 -0.538 1.00 15.00 C ATOM 267 CG TYR A 248 3.469 1.137 0.665 1.00 15.00 C ATOM 268 CD1 TYR A 248 4.103 0.043 1.249 1.00 15.00 C ATOM 269 CD2 TYR A 248 3.691 2.398 1.218 1.00 15.00 C ATOM 270 CE1 TYR A 248 4.923 0.203 2.341 1.00 15.00 C ATOM 271 CE2 TYR A 248 4.514 2.555 2.299 1.00 15.00 C ATOM 272 CZ TYR A 248 5.129 1.460 2.860 1.00 15.00 C ATOM 273 OH TYR A 248 5.951 1.622 3.950 1.00 15.00 O ATOM 0 H TYR A 248 1.584 -1.420 -0.783 1.00 15.00 H new ATOM 0 HA TYR A 248 0.900 1.023 0.767 1.00 15.00 H new ATOM 0 HB2 TYR A 248 3.024 0.235 -1.214 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.525 1.910 -1.082 1.00 15.00 H new ATOM 0 HD1 TYR A 248 3.948 -0.944 0.839 1.00 15.00 H new ATOM 0 HD2 TYR A 248 3.207 3.262 0.787 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.403 -0.654 2.789 1.00 15.00 H new ATOM 0 HE2 TYR A 248 4.681 3.539 2.712 1.00 15.00 H new ATOM 0 HH TYR A 248 5.653 1.033 4.675 1.00 15.00 H new ATOM 283 N ILE A 249 -0.837 1.732 -0.794 1.00 15.00 N ATOM 284 CA ILE A 249 -1.794 2.299 -1.751 1.00 15.00 C ATOM 285 C ILE A 249 -1.863 3.811 -1.621 1.00 15.00 C ATOM 286 O ILE A 249 -1.842 4.358 -0.513 1.00 15.00 O ATOM 287 CB ILE A 249 -3.222 1.740 -1.610 1.00 15.00 C ATOM 288 CG1 ILE A 249 -3.777 1.972 -0.205 1.00 15.00 C ATOM 289 CG2 ILE A 249 -3.266 0.274 -1.978 1.00 15.00 C ATOM 290 CD1 ILE A 249 -5.086 1.260 0.031 1.00 15.00 C ATOM 0 H ILE A 249 -0.986 2.014 0.175 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.415 2.008 -2.731 1.00 15.00 H new ATOM 0 HB ILE A 249 -3.860 2.283 -2.307 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -3.047 1.633 0.530 1.00 15.00 H new ATOM 0 HG13 ILE A 249 -3.916 3.041 -0.046 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -4.285 -0.098 -1.870 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -2.941 0.148 -3.011 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.604 -0.287 -1.318 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -5.432 1.461 1.045 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -5.828 1.617 -0.683 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -4.945 0.187 -0.098 1.00 15.00 H new ATOM 302 N ASN A 250 -1.946 4.488 -2.755 1.00 15.00 N ATOM 303 CA ASN A 250 -1.932 5.940 -2.769 1.00 15.00 C ATOM 304 C ASN A 250 -3.051 6.485 -3.637 1.00 15.00 C ATOM 305 O ASN A 250 -3.190 6.098 -4.803 1.00 15.00 O ATOM 306 CB ASN A 250 -0.576 6.444 -3.270 1.00 15.00 C ATOM 307 CG ASN A 250 -0.422 7.955 -3.184 1.00 15.00 C ATOM 308 OD1 ASN A 250 -1.145 8.630 -2.458 1.00 15.00 O ATOM 309 ND2 ASN A 250 0.555 8.492 -3.899 1.00 15.00 N ATOM 0 H ASN A 250 -2.024 4.055 -3.675 1.00 15.00 H new ATOM 0 HA ASN A 250 -2.091 6.296 -1.751 1.00 15.00 H new ATOM 0 HB2 ASN A 250 0.216 5.972 -2.688 1.00 15.00 H new ATOM 0 HB3 ASN A 250 -0.441 6.131 -4.305 1.00 15.00 H new ATOM 0 HD21 ASN A 250 0.725 9.497 -3.856 1.00 15.00 H new ATOM 0 HD22 ASN A 250 1.137 7.901 -4.492 1.00 15.00 H new ATOM 316 N HIS A 251 -3.824 7.401 -3.053 1.00 15.00 N ATOM 317 CA HIS A 251 -4.916 8.079 -3.748 1.00 15.00 C ATOM 318 C HIS A 251 -4.363 9.140 -4.682 1.00 15.00 C ATOM 319 O HIS A 251 -5.056 9.638 -5.565 1.00 15.00 O ATOM 320 CB HIS A 251 -5.877 8.720 -2.739 1.00 15.00 C ATOM 321 CG HIS A 251 -6.733 7.740 -1.992 1.00 15.00 C ATOM 322 ND1 HIS A 251 -8.071 7.540 -2.027 1.00 15.00 N flip ATOM 323 CD2 HIS A 251 -6.238 6.826 -1.083 1.00 15.00 C flip ATOM 324 CE1 HIS A 251 -8.359 6.524 -1.153 1.00 15.00 C flip ATOM 325 NE2 HIS A 251 -7.235 6.111 -0.600 1.00 15.00 N flip ATOM 0 H HIS A 251 -3.709 7.694 -2.083 1.00 15.00 H new ATOM 0 HA HIS A 251 -5.464 7.341 -4.334 1.00 15.00 H new ATOM 0 HB2 HIS A 251 -5.297 9.299 -2.021 1.00 15.00 H new ATOM 0 HB3 HIS A 251 -6.524 9.421 -3.266 1.00 15.00 H new ATOM 0 HD1 HIS A 251 -8.743 8.052 -2.599 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -5.199 6.714 -0.811 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -9.343 6.127 -0.951 1.00 15.00 H new ATOM 334 N LYS A 252 -3.110 9.495 -4.454 1.00 15.00 N ATOM 335 CA LYS A 252 -2.404 10.427 -5.314 1.00 15.00 C ATOM 336 C LYS A 252 -1.631 9.653 -6.386 1.00 15.00 C ATOM 337 O LYS A 252 -1.090 10.228 -7.327 1.00 15.00 O ATOM 338 CB LYS A 252 -1.476 11.320 -4.467 1.00 15.00 C ATOM 339 CG LYS A 252 -0.778 12.421 -5.249 1.00 15.00 C ATOM 340 CD LYS A 252 -0.213 13.509 -4.337 1.00 15.00 C ATOM 341 CE LYS A 252 0.777 12.966 -3.312 1.00 15.00 C ATOM 342 NZ LYS A 252 0.114 12.575 -2.035 1.00 15.00 N1+ ATOM 0 H LYS A 252 -2.556 9.147 -3.671 1.00 15.00 H new ATOM 0 HA LYS A 252 -3.116 11.079 -5.821 1.00 15.00 H new ATOM 0 HB2 LYS A 252 -2.060 11.774 -3.667 1.00 15.00 H new ATOM 0 HB3 LYS A 252 -0.721 10.692 -3.994 1.00 15.00 H new ATOM 0 HG2 LYS A 252 0.030 11.989 -5.839 1.00 15.00 H new ATOM 0 HG3 LYS A 252 -1.482 12.868 -5.951 1.00 15.00 H new ATOM 0 HD2 LYS A 252 0.280 14.267 -4.946 1.00 15.00 H new ATOM 0 HD3 LYS A 252 -1.034 14.003 -3.817 1.00 15.00 H new ATOM 0 HE2 LYS A 252 1.292 12.101 -3.731 1.00 15.00 H new ATOM 0 HE3 LYS A 252 1.536 13.721 -3.108 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 0.784 12.686 -1.248 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 -0.714 13.183 -1.873 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 -0.192 11.583 -2.092 1.00 15.00 H new ATOM 356 N ASN A 253 -1.574 8.333 -6.223 1.00 15.00 N ATOM 357 CA ASN A 253 -0.879 7.471 -7.178 1.00 15.00 C ATOM 358 C ASN A 253 -1.857 6.671 -8.031 1.00 15.00 C ATOM 359 O ASN A 253 -1.530 6.305 -9.161 1.00 15.00 O ATOM 360 CB ASN A 253 0.072 6.501 -6.466 1.00 15.00 C ATOM 361 CG ASN A 253 1.528 6.918 -6.550 1.00 15.00 C ATOM 362 OD1 ASN A 253 1.778 8.206 -6.716 1.00 15.00 O flip ATOM 363 ND2 ASN A 253 2.425 6.083 -6.476 1.00 15.00 N flip ATOM 0 H ASN A 253 -2.000 7.837 -5.440 1.00 15.00 H new ATOM 0 HA ASN A 253 -0.302 8.131 -7.826 1.00 15.00 H new ATOM 0 HB2 ASN A 253 -0.217 6.424 -5.418 1.00 15.00 H new ATOM 0 HB3 ASN A 253 -0.040 5.508 -6.901 1.00 15.00 H new ATOM 0 HD21 ASN A 253 2.195 5.098 -6.348 1.00 15.00 H new ATOM 0 HD22 ASN A 253 3.400 6.375 -6.543 1.00 15.00 H new ATOM 370 N LYS A 254 -3.040 6.372 -7.469 1.00 15.00 N ATOM 371 CA LYS A 254 -4.033 5.521 -8.138 1.00 15.00 C ATOM 372 C LYS A 254 -3.497 4.083 -8.198 1.00 15.00 C ATOM 373 O LYS A 254 -3.920 3.273 -9.021 1.00 15.00 O ATOM 374 CB LYS A 254 -4.315 6.070 -9.551 1.00 15.00 C ATOM 375 CG LYS A 254 -5.493 5.438 -10.281 1.00 15.00 C ATOM 376 CD LYS A 254 -6.819 5.800 -9.635 1.00 15.00 C ATOM 377 CE LYS A 254 -7.993 5.497 -10.556 1.00 15.00 C ATOM 378 NZ LYS A 254 -8.023 4.079 -11.006 1.00 15.00 N1+ ATOM 0 H LYS A 254 -3.331 6.709 -6.551 1.00 15.00 H new ATOM 0 HA LYS A 254 -4.970 5.522 -7.581 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -4.491 7.143 -9.476 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -3.420 5.936 -10.159 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -5.494 5.766 -11.321 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -5.377 4.354 -10.288 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -6.934 5.245 -8.704 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -6.822 6.859 -9.378 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -8.924 5.729 -10.038 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -7.942 6.149 -11.428 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -8.910 3.895 -11.516 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -7.217 3.898 -11.637 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -7.963 3.451 -10.179 1.00 15.00 H new ATOM 392 N THR A 255 -2.604 3.756 -7.263 1.00 15.00 N ATOM 393 CA THR A 255 -1.826 2.515 -7.356 1.00 15.00 C ATOM 394 C THR A 255 -1.791 1.733 -6.048 1.00 15.00 C ATOM 395 O THR A 255 -1.880 2.298 -4.954 1.00 15.00 O ATOM 396 CB THR A 255 -0.357 2.770 -7.722 1.00 15.00 C ATOM 397 OG1 THR A 255 -0.195 4.070 -8.294 1.00 15.00 O ATOM 398 CG2 THR A 255 0.206 1.735 -8.684 1.00 15.00 C ATOM 0 H THR A 255 -2.401 4.324 -6.441 1.00 15.00 H new ATOM 0 HA THR A 255 -2.338 1.948 -8.133 1.00 15.00 H new ATOM 0 HB THR A 255 0.200 2.696 -6.788 1.00 15.00 H new ATOM 0 HG1 THR A 255 0.748 4.213 -8.519 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.247 1.971 -8.904 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.146 0.746 -8.230 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.371 1.746 -9.609 1.00 15.00 H new ATOM 406 N THR A 256 -1.665 0.431 -6.210 1.00 15.00 N ATOM 407 CA THR A 256 -1.416 -0.499 -5.124 1.00 15.00 C ATOM 408 C THR A 256 -0.111 -1.256 -5.399 1.00 15.00 C ATOM 409 O THR A 256 0.064 -1.832 -6.473 1.00 15.00 O ATOM 410 CB THR A 256 -2.557 -1.520 -4.980 1.00 15.00 C ATOM 411 OG1 THR A 256 -3.806 -0.836 -4.838 1.00 15.00 O ATOM 412 CG2 THR A 256 -2.320 -2.427 -3.780 1.00 15.00 C ATOM 0 H THR A 256 -1.734 -0.021 -7.122 1.00 15.00 H new ATOM 0 HA THR A 256 -1.347 0.074 -4.199 1.00 15.00 H new ATOM 0 HB THR A 256 -2.585 -2.138 -5.878 1.00 15.00 H new ATOM 0 HG1 THR A 256 -4.222 -0.729 -5.719 1.00 15.00 H new ATOM 0 HG21 THR A 256 -3.139 -3.142 -3.697 1.00 15.00 H new ATOM 0 HG22 THR A 256 -1.381 -2.965 -3.910 1.00 15.00 H new ATOM 0 HG23 THR A 256 -2.270 -1.825 -2.873 1.00 15.00 H new ATOM 420 N SER A 257 0.795 -1.238 -4.439 1.00 15.00 N ATOM 421 CA SER A 257 2.080 -1.909 -4.569 1.00 15.00 C ATOM 422 C SER A 257 2.342 -2.770 -3.331 1.00 15.00 C ATOM 423 O SER A 257 1.912 -2.423 -2.227 1.00 15.00 O ATOM 424 CB SER A 257 3.182 -0.859 -4.754 1.00 15.00 C ATOM 425 OG SER A 257 4.444 -1.463 -4.967 1.00 15.00 O ATOM 0 H SER A 257 0.664 -0.759 -3.548 1.00 15.00 H new ATOM 0 HA SER A 257 2.072 -2.563 -5.441 1.00 15.00 H new ATOM 0 HB2 SER A 257 2.937 -0.218 -5.601 1.00 15.00 H new ATOM 0 HB3 SER A 257 3.228 -0.219 -3.873 1.00 15.00 H new ATOM 0 HG SER A 257 5.124 -0.767 -5.083 1.00 15.00 H new ATOM 431 N TRP A 258 3.050 -3.882 -3.519 1.00 15.00 N ATOM 432 CA TRP A 258 3.286 -4.847 -2.446 1.00 15.00 C ATOM 433 C TRP A 258 4.120 -4.286 -1.307 1.00 15.00 C ATOM 434 O TRP A 258 3.715 -4.339 -0.151 1.00 15.00 O ATOM 435 CB TRP A 258 3.999 -6.092 -2.973 1.00 15.00 C ATOM 436 CG TRP A 258 3.120 -7.025 -3.735 1.00 15.00 C ATOM 437 CD1 TRP A 258 3.304 -7.467 -5.008 1.00 15.00 C ATOM 438 CD2 TRP A 258 1.911 -7.626 -3.273 1.00 15.00 C ATOM 439 NE1 TRP A 258 2.296 -8.322 -5.364 1.00 15.00 N ATOM 440 CE2 TRP A 258 1.426 -8.429 -4.318 1.00 15.00 C ATOM 441 CE3 TRP A 258 1.193 -7.565 -2.075 1.00 15.00 C ATOM 442 CZ2 TRP A 258 0.259 -9.163 -4.203 1.00 15.00 C ATOM 443 CZ3 TRP A 258 0.023 -8.289 -1.969 1.00 15.00 C ATOM 444 CH2 TRP A 258 -0.429 -9.078 -3.033 1.00 15.00 C ATOM 0 H TRP A 258 3.473 -4.139 -4.411 1.00 15.00 H new ATOM 0 HA TRP A 258 2.296 -5.096 -2.065 1.00 15.00 H new ATOM 0 HB2 TRP A 258 4.822 -5.780 -3.616 1.00 15.00 H new ATOM 0 HB3 TRP A 258 4.437 -6.629 -2.132 1.00 15.00 H new ATOM 0 HD1 TRP A 258 4.128 -7.184 -5.647 1.00 15.00 H new ATOM 0 HE1 TRP A 258 2.210 -8.799 -6.261 1.00 15.00 H new ATOM 0 HE3 TRP A 258 1.546 -6.964 -1.250 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -0.094 -9.782 -5.015 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -0.550 -8.246 -1.055 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -1.348 -9.634 -2.922 1.00 15.00 H new ATOM 455 N LEU A 259 5.297 -3.788 -1.636 1.00 15.00 N ATOM 456 CA LEU A 259 6.313 -3.526 -0.633 1.00 15.00 C ATOM 457 C LEU A 259 6.744 -2.062 -0.569 1.00 15.00 C ATOM 458 O LEU A 259 6.516 -1.293 -1.504 1.00 15.00 O ATOM 459 CB LEU A 259 7.517 -4.434 -0.798 1.00 15.00 C ATOM 460 CG LEU A 259 7.529 -5.629 0.154 1.00 15.00 C ATOM 461 CD1 LEU A 259 8.873 -6.327 0.071 1.00 15.00 C ATOM 462 CD2 LEU A 259 7.246 -5.179 1.583 1.00 15.00 C ATOM 0 H LEU A 259 5.574 -3.557 -2.590 1.00 15.00 H new ATOM 0 HA LEU A 259 5.839 -3.752 0.322 1.00 15.00 H new ATOM 0 HB2 LEU A 259 7.545 -4.800 -1.824 1.00 15.00 H new ATOM 0 HB3 LEU A 259 8.424 -3.850 -0.643 1.00 15.00 H new ATOM 0 HG LEU A 259 6.745 -6.327 -0.140 1.00 15.00 H new ATOM 0 HD11 LEU A 259 8.883 -7.180 0.750 1.00 15.00 H new ATOM 0 HD12 LEU A 259 9.041 -6.673 -0.949 1.00 15.00 H new ATOM 0 HD13 LEU A 259 9.663 -5.630 0.352 1.00 15.00 H new ATOM 0 HD21 LEU A 259 7.259 -6.044 2.246 1.00 15.00 H new ATOM 0 HD22 LEU A 259 8.010 -4.468 1.899 1.00 15.00 H new ATOM 0 HD23 LEU A 259 6.267 -4.702 1.627 1.00 15.00 H new ATOM 474 N ASP A 260 7.361 -1.690 0.562 1.00 15.00 N ATOM 475 CA ASP A 260 7.599 -0.309 0.915 1.00 15.00 C ATOM 476 C ASP A 260 8.442 0.427 -0.115 1.00 15.00 C ATOM 477 O ASP A 260 9.595 0.086 -0.384 1.00 15.00 O ATOM 478 CB ASP A 260 8.240 -0.226 2.308 1.00 15.00 C ATOM 479 CG ASP A 260 9.547 -0.988 2.450 1.00 15.00 C ATOM 480 OD1 ASP A 260 9.622 -2.152 2.009 1.00 15.00 O ATOM 481 OD2 ASP A 260 10.486 -0.436 3.065 1.00 15.00 O1- ATOM 0 H ASP A 260 7.706 -2.355 1.254 1.00 15.00 H new ATOM 0 HA ASP A 260 6.631 0.192 0.932 1.00 15.00 H new ATOM 0 HB2 ASP A 260 8.418 0.822 2.550 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.531 -0.607 3.043 1.00 15.00 H new ATOM 486 N PRO A 261 7.849 1.494 -0.675 1.00 15.00 N ATOM 487 CA PRO A 261 8.431 2.303 -1.725 1.00 15.00 C ATOM 488 C PRO A 261 9.393 3.295 -1.216 1.00 15.00 C ATOM 489 O PRO A 261 10.103 4.044 -1.887 1.00 15.00 O ATOM 490 CB PRO A 261 7.222 2.868 -2.466 1.00 15.00 C ATOM 491 CG PRO A 261 6.211 3.050 -1.374 1.00 15.00 C ATOM 492 CD PRO A 261 6.515 1.995 -0.327 1.00 15.00 C ATOM 0 HA PRO A 261 9.063 1.736 -2.409 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.456 3.811 -2.960 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.865 2.184 -3.236 1.00 15.00 H new ATOM 0 HG2 PRO A 261 6.277 4.051 -0.947 1.00 15.00 H new ATOM 0 HG3 PRO A 261 5.198 2.934 -1.759 1.00 15.00 H new ATOM 0 HD2 PRO A 261 6.501 2.419 0.677 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.775 1.195 -0.345 1.00 15.00 H new ATOM 500 N ARG A 262 9.290 3.233 -0.007 1.00 15.00 N ATOM 501 CA ARG A 262 9.925 4.127 0.955 1.00 15.00 C ATOM 502 C ARG A 262 11.406 3.786 1.084 1.00 15.00 C ATOM 503 O ARG A 262 12.214 4.609 1.514 1.00 15.00 O ATOM 504 CB ARG A 262 9.262 4.008 2.333 1.00 15.00 C ATOM 505 CG ARG A 262 9.593 2.699 3.025 1.00 15.00 C ATOM 506 CD ARG A 262 8.940 2.563 4.390 1.00 15.00 C ATOM 507 NE ARG A 262 9.235 1.256 4.978 1.00 15.00 N ATOM 508 CZ ARG A 262 8.532 0.685 5.958 1.00 15.00 C ATOM 509 NH1 ARG A 262 7.450 1.277 6.443 1.00 15.00 N1+ ATOM 510 NH2 ARG A 262 8.893 -0.503 6.426 1.00 15.00 N ATOM 0 H ARG A 262 8.724 2.516 0.446 1.00 15.00 H new ATOM 0 HA ARG A 262 9.809 5.149 0.593 1.00 15.00 H new ATOM 0 HB2 ARG A 262 9.584 4.839 2.961 1.00 15.00 H new ATOM 0 HB3 ARG A 262 8.181 4.093 2.221 1.00 15.00 H new ATOM 0 HG2 ARG A 262 9.274 1.870 2.393 1.00 15.00 H new ATOM 0 HG3 ARG A 262 10.674 2.618 3.137 1.00 15.00 H new ATOM 0 HD2 ARG A 262 9.298 3.353 5.050 1.00 15.00 H new ATOM 0 HD3 ARG A 262 7.861 2.690 4.297 1.00 15.00 H new ATOM 0 HE ARG A 262 10.037 0.744 4.612 1.00 15.00 H new ATOM 0 HH11 ARG A 262 7.149 2.176 6.067 1.00 15.00 H new ATOM 0 HH12 ARG A 262 6.918 0.834 7.192 1.00 15.00 H new ATOM 0 HH21 ARG A 262 9.707 -0.979 6.037 1.00 15.00 H new ATOM 0 HH22 ARG A 262 8.357 -0.941 7.175 1.00 15.00 H new ATOM 524 N LEU A 263 11.743 2.557 0.727 1.00 15.00 N ATOM 525 CA LEU A 263 13.087 2.050 0.904 1.00 15.00 C ATOM 526 C LEU A 263 13.751 1.884 -0.456 1.00 15.00 C ATOM 527 O LEU A 263 14.496 2.796 -0.868 1.00 15.00 O ATOM 528 CB LEU A 263 13.033 0.711 1.657 1.00 15.00 C ATOM 529 CG LEU A 263 14.292 0.329 2.450 1.00 15.00 C ATOM 530 CD1 LEU A 263 15.448 -0.016 1.521 1.00 15.00 C ATOM 531 CD2 LEU A 263 14.683 1.455 3.398 1.00 15.00 C ATOM 532 OXT LEU A 263 13.501 0.857 -1.120 1.00 15.00 O ATOM 0 H LEU A 263 11.095 1.889 0.309 1.00 15.00 H new ATOM 0 HA LEU A 263 13.677 2.754 1.491 1.00 15.00 H new ATOM 0 HB2 LEU A 263 12.189 0.739 2.346 1.00 15.00 H new ATOM 0 HB3 LEU A 263 12.829 -0.080 0.935 1.00 15.00 H new ATOM 0 HG LEU A 263 14.063 -0.560 3.038 1.00 15.00 H new ATOM 0 HD11 LEU A 263 16.324 -0.282 2.113 1.00 15.00 H new ATOM 0 HD12 LEU A 263 15.168 -0.859 0.889 1.00 15.00 H new ATOM 0 HD13 LEU A 263 15.681 0.845 0.895 1.00 15.00 H new ATOM 0 HD21 LEU A 263 15.577 1.170 3.953 1.00 15.00 H new ATOM 0 HD22 LEU A 263 14.885 2.360 2.825 1.00 15.00 H new ATOM 0 HD23 LEU A 263 13.867 1.643 4.096 1.00 15.00 H new TER 544 LEU A 263 ATOM 545 N THR B 222 1.238 -12.960 -8.086 1.00 15.00 N ATOM 546 CA THR B 222 -0.040 -12.320 -8.452 1.00 15.00 C ATOM 547 C THR B 222 -0.090 -10.892 -7.923 1.00 15.00 C ATOM 548 O THR B 222 0.747 -10.507 -7.105 1.00 15.00 O ATOM 549 CB THR B 222 -1.237 -13.120 -7.900 1.00 15.00 C ATOM 550 OG1 THR B 222 -1.006 -13.473 -6.531 1.00 15.00 O ATOM 551 CG2 THR B 222 -1.480 -14.371 -8.726 1.00 15.00 C ATOM 0 HA THR B 222 -0.105 -12.302 -9.540 1.00 15.00 H new ATOM 0 HB THR B 222 -2.125 -12.491 -7.961 1.00 15.00 H new ATOM 0 HG1 THR B 222 -0.046 -13.432 -6.340 1.00 15.00 H new ATOM 0 HG21 THR B 222 -2.329 -14.918 -8.317 1.00 15.00 H new ATOM 0 HG22 THR B 222 -1.692 -14.090 -9.758 1.00 15.00 H new ATOM 0 HG23 THR B 222 -0.593 -15.004 -8.697 1.00 15.00 H new ATOM 561 N PRO B 223 -1.047 -10.076 -8.392 1.00 15.00 N ATOM 562 CA PRO B 223 -1.199 -8.696 -7.935 1.00 15.00 C ATOM 563 C PRO B 223 -1.862 -8.616 -6.551 1.00 15.00 C ATOM 564 O PRO B 223 -2.465 -9.590 -6.092 1.00 15.00 O ATOM 565 CB PRO B 223 -2.107 -8.057 -9.006 1.00 15.00 C ATOM 566 CG PRO B 223 -2.233 -9.077 -10.091 1.00 15.00 C ATOM 567 CD PRO B 223 -2.037 -10.402 -9.425 1.00 15.00 C ATOM 0 HA PRO B 223 -0.238 -8.194 -7.823 1.00 15.00 H new ATOM 0 HB2 PRO B 223 -3.083 -7.804 -8.591 1.00 15.00 H new ATOM 0 HB3 PRO B 223 -1.673 -7.132 -9.386 1.00 15.00 H new ATOM 0 HG2 PRO B 223 -3.210 -9.020 -10.570 1.00 15.00 H new ATOM 0 HG3 PRO B 223 -1.487 -8.915 -10.869 1.00 15.00 H new ATOM 0 HD2 PRO B 223 -2.963 -10.785 -8.997 1.00 15.00 H new ATOM 0 HD3 PRO B 223 -1.670 -11.158 -10.119 1.00 15.00 H new ATOM 575 N PRO B 224 -1.794 -7.446 -5.878 1.00 15.00 N ATOM 576 CA PRO B 224 -2.393 -7.226 -4.575 1.00 15.00 C ATOM 577 C PRO B 224 -3.832 -6.746 -4.713 1.00 15.00 C ATOM 578 O PRO B 224 -4.346 -6.641 -5.834 1.00 15.00 O ATOM 579 CB PRO B 224 -1.487 -6.133 -3.953 1.00 15.00 C ATOM 580 CG PRO B 224 -0.700 -5.555 -5.084 1.00 15.00 C ATOM 581 CD PRO B 224 -1.212 -6.199 -6.341 1.00 15.00 C ATOM 0 HA PRO B 224 -2.448 -8.128 -3.965 1.00 15.00 H new ATOM 0 HB2 PRO B 224 -2.084 -5.365 -3.461 1.00 15.00 H new ATOM 0 HB3 PRO B 224 -0.828 -6.558 -3.196 1.00 15.00 H new ATOM 0 HG2 PRO B 224 -0.822 -4.473 -5.127 1.00 15.00 H new ATOM 0 HG3 PRO B 224 0.364 -5.751 -4.955 1.00 15.00 H new ATOM 0 HD2 PRO B 224 -1.952 -5.572 -6.839 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -0.409 -6.374 -7.057 1.00 15.00 H new ATOM 589 N PRO B 225 -4.517 -6.493 -3.585 1.00 15.00 N ATOM 590 CA PRO B 225 -5.837 -5.861 -3.600 1.00 15.00 C ATOM 591 C PRO B 225 -5.825 -4.618 -4.484 1.00 15.00 C ATOM 592 O PRO B 225 -4.793 -3.961 -4.616 1.00 15.00 O ATOM 593 CB PRO B 225 -6.035 -5.471 -2.134 1.00 15.00 C ATOM 594 CG PRO B 225 -5.271 -6.492 -1.369 1.00 15.00 C ATOM 595 CD PRO B 225 -4.077 -6.829 -2.215 1.00 15.00 C ATOM 0 HA PRO B 225 -6.624 -6.505 -3.992 1.00 15.00 H new ATOM 0 HB2 PRO B 225 -5.661 -4.466 -1.937 1.00 15.00 H new ATOM 0 HB3 PRO B 225 -7.090 -5.478 -1.861 1.00 15.00 H new ATOM 0 HG2 PRO B 225 -4.965 -6.104 -0.397 1.00 15.00 H new ATOM 0 HG3 PRO B 225 -5.880 -7.377 -1.182 1.00 15.00 H new ATOM 0 HD2 PRO B 225 -3.201 -6.250 -1.922 1.00 15.00 H new ATOM 0 HD3 PRO B 225 -3.807 -7.881 -2.127 1.00 15.00 H new ATOM 603 N ALA B 226 -6.962 -4.295 -5.083 1.00 15.00 N ATOM 604 CA ALA B 226 -7.044 -3.180 -6.024 1.00 15.00 C ATOM 605 C ALA B 226 -6.710 -1.860 -5.340 1.00 15.00 C ATOM 606 O ALA B 226 -6.429 -1.825 -4.142 1.00 15.00 O ATOM 607 CB ALA B 226 -8.434 -3.119 -6.636 1.00 15.00 C ATOM 0 H ALA B 226 -7.843 -4.788 -4.936 1.00 15.00 H new ATOM 0 HA ALA B 226 -6.312 -3.344 -6.815 1.00 15.00 H new ATOM 0 HB1 ALA B 226 -8.487 -2.285 -7.336 1.00 15.00 H new ATOM 0 HB2 ALA B 226 -8.640 -4.050 -7.164 1.00 15.00 H new ATOM 0 HB3 ALA B 226 -9.173 -2.978 -5.847 1.00 15.00 H new ATOM 613 N TYR B 227 -6.729 -0.769 -6.088 1.00 15.00 N ATOM 614 CA TYR B 227 -6.508 0.525 -5.478 1.00 15.00 C ATOM 615 C TYR B 227 -7.714 0.870 -4.610 1.00 15.00 C ATOM 616 O TYR B 227 -8.872 0.763 -5.024 1.00 15.00 O ATOM 617 CB TYR B 227 -6.179 1.600 -6.525 1.00 15.00 C ATOM 618 CG TYR B 227 -6.572 2.985 -6.088 1.00 15.00 C ATOM 619 CD1 TYR B 227 -5.946 3.581 -5.007 1.00 15.00 C ATOM 620 CD2 TYR B 227 -7.578 3.683 -6.738 1.00 15.00 C ATOM 621 CE1 TYR B 227 -6.307 4.835 -4.581 1.00 15.00 C ATOM 622 CE2 TYR B 227 -7.946 4.942 -6.323 1.00 15.00 C ATOM 623 CZ TYR B 227 -7.312 5.514 -5.245 1.00 15.00 C ATOM 624 OH TYR B 227 -7.682 6.769 -4.835 1.00 15.00 O ATOM 0 H TYR B 227 -6.891 -0.754 -7.095 1.00 15.00 H new ATOM 0 HA TYR B 227 -5.629 0.486 -4.834 1.00 15.00 H new ATOM 0 HB2 TYR B 227 -5.109 1.581 -6.734 1.00 15.00 H new ATOM 0 HB3 TYR B 227 -6.690 1.360 -7.457 1.00 15.00 H new ATOM 0 HD1 TYR B 227 -5.160 3.050 -4.490 1.00 15.00 H new ATOM 0 HD2 TYR B 227 -8.080 3.232 -7.582 1.00 15.00 H new ATOM 0 HE1 TYR B 227 -5.811 5.287 -3.735 1.00 15.00 H new ATOM 0 HE2 TYR B 227 -8.728 5.478 -6.841 1.00 15.00 H new ATOM 0 HH TYR B 227 -8.040 6.723 -3.924 1.00 15.00 H new ATOM 634 N LEU B 228 -7.394 1.311 -3.412 1.00 15.00 N ATOM 635 CA LEU B 228 -8.238 1.154 -2.247 1.00 15.00 C ATOM 636 C LEU B 228 -8.034 2.297 -1.262 1.00 15.00 C ATOM 637 O LEU B 228 -6.984 2.940 -1.267 1.00 15.00 O ATOM 638 CB LEU B 228 -7.962 -0.180 -1.543 1.00 15.00 C ATOM 639 CG LEU B 228 -8.635 -1.410 -2.166 1.00 15.00 C ATOM 640 CD1 LEU B 228 -8.260 -2.668 -1.398 1.00 15.00 C ATOM 641 CD2 LEU B 228 -10.147 -1.237 -2.190 1.00 15.00 C ATOM 0 H LEU B 228 -6.520 1.800 -3.217 1.00 15.00 H new ATOM 0 HA LEU B 228 -9.271 1.166 -2.594 1.00 15.00 H new ATOM 0 HB2 LEU B 228 -6.885 -0.346 -1.528 1.00 15.00 H new ATOM 0 HB3 LEU B 228 -8.286 -0.097 -0.506 1.00 15.00 H new ATOM 0 HG LEU B 228 -8.282 -1.511 -3.192 1.00 15.00 H new ATOM 0 HD11 LEU B 228 -8.746 -3.531 -1.853 1.00 15.00 H new ATOM 0 HD12 LEU B 228 -7.179 -2.803 -1.427 1.00 15.00 H new ATOM 0 HD13 LEU B 228 -8.586 -2.573 -0.362 1.00 15.00 H new ATOM 0 HD21 LEU B 228 -10.607 -2.119 -2.635 1.00 15.00 H new ATOM 0 HD22 LEU B 228 -10.515 -1.111 -1.172 1.00 15.00 H new ATOM 0 HD23 LEU B 228 -10.403 -0.357 -2.780 1.00 15.00 H new ATOM 653 N PRO B 229 -9.049 2.631 -0.467 1.00 15.00 N ATOM 654 CA PRO B 229 -8.816 3.416 0.727 1.00 15.00 C ATOM 655 C PRO B 229 -8.493 2.428 1.842 1.00 15.00 C ATOM 656 O PRO B 229 -8.986 1.299 1.835 1.00 15.00 O ATOM 657 CB PRO B 229 -10.157 4.110 0.990 1.00 15.00 C ATOM 658 CG PRO B 229 -11.148 3.514 0.037 1.00 15.00 C ATOM 659 CD PRO B 229 -10.479 2.361 -0.669 1.00 15.00 C ATOM 0 HA PRO B 229 -8.006 4.141 0.650 1.00 15.00 H new ATOM 0 HB2 PRO B 229 -10.474 3.959 2.022 1.00 15.00 H new ATOM 0 HB3 PRO B 229 -10.072 5.186 0.837 1.00 15.00 H new ATOM 0 HG2 PRO B 229 -12.033 3.171 0.573 1.00 15.00 H new ATOM 0 HG3 PRO B 229 -11.481 4.261 -0.684 1.00 15.00 H new ATOM 0 HD2 PRO B 229 -10.772 1.402 -0.242 1.00 15.00 H new ATOM 0 HD3 PRO B 229 -10.738 2.331 -1.727 1.00 15.00 H new ATOM 667 N PRO B 230 -7.684 2.822 2.832 1.00 15.00 N ATOM 668 CA PRO B 230 -6.745 1.910 3.480 1.00 15.00 C ATOM 669 C PRO B 230 -7.319 1.148 4.662 1.00 15.00 C ATOM 670 O PRO B 230 -8.196 1.625 5.383 1.00 15.00 O ATOM 671 CB PRO B 230 -5.632 2.856 3.962 1.00 15.00 C ATOM 672 CG PRO B 230 -6.086 4.252 3.639 1.00 15.00 C ATOM 673 CD PRO B 230 -7.562 4.171 3.375 1.00 15.00 C ATOM 0 HA PRO B 230 -6.429 1.126 2.792 1.00 15.00 H new ATOM 0 HB2 PRO B 230 -5.463 2.741 5.033 1.00 15.00 H new ATOM 0 HB3 PRO B 230 -4.689 2.630 3.464 1.00 15.00 H new ATOM 0 HG2 PRO B 230 -5.877 4.929 4.467 1.00 15.00 H new ATOM 0 HG3 PRO B 230 -5.557 4.640 2.769 1.00 15.00 H new ATOM 0 HD2 PRO B 230 -8.150 4.303 4.284 1.00 15.00 H new ATOM 0 HD3 PRO B 230 -7.895 4.930 2.667 1.00 15.00 H new ATOM 681 N GLU B 231 -6.767 -0.048 4.847 1.00 15.00 N ATOM 682 CA GLU B 231 -7.404 -1.094 5.641 1.00 15.00 C ATOM 683 C GLU B 231 -6.743 -1.244 6.997 1.00 15.00 C ATOM 684 O GLU B 231 -5.547 -1.001 7.155 1.00 15.00 O ATOM 685 CB GLU B 231 -7.402 -2.437 4.896 1.00 15.00 C ATOM 686 CG GLU B 231 -6.037 -3.026 4.665 1.00 15.00 C ATOM 687 CD GLU B 231 -6.099 -4.355 3.932 1.00 15.00 C ATOM 688 OE1 GLU B 231 -6.580 -4.379 2.780 1.00 15.00 O1- ATOM 689 OE2 GLU B 231 -5.689 -5.384 4.510 1.00 15.00 O ATOM 0 H GLU B 231 -5.867 -0.319 4.451 1.00 15.00 H new ATOM 0 HA GLU B 231 -8.439 -0.790 5.800 1.00 15.00 H new ATOM 0 HB2 GLU B 231 -8.000 -3.152 5.462 1.00 15.00 H new ATOM 0 HB3 GLU B 231 -7.893 -2.303 3.932 1.00 15.00 H new ATOM 0 HG2 GLU B 231 -5.434 -2.324 4.090 1.00 15.00 H new ATOM 0 HG3 GLU B 231 -5.537 -3.165 5.623 1.00 15.00 H new ATOM 696 N ASP B 232 -7.539 -1.661 7.959 1.00 15.00 N ATOM 697 CA ASP B 232 -7.104 -1.719 9.353 1.00 15.00 C ATOM 698 C ASP B 232 -7.152 -3.143 9.917 1.00 15.00 C ATOM 699 O ASP B 232 -6.173 -3.605 10.504 1.00 15.00 O ATOM 700 CB ASP B 232 -7.946 -0.789 10.234 1.00 15.00 C ATOM 701 CG ASP B 232 -7.877 0.661 9.806 1.00 15.00 C ATOM 702 OD1 ASP B 232 -6.877 1.335 10.123 1.00 15.00 O ATOM 703 OD2 ASP B 232 -8.843 1.140 9.175 1.00 15.00 O1- ATOM 0 H ASP B 232 -8.500 -1.969 7.807 1.00 15.00 H new ATOM 0 HA ASP B 232 -6.067 -1.385 9.366 1.00 15.00 H new ATOM 0 HB2 ASP B 232 -8.985 -1.119 10.211 1.00 15.00 H new ATOM 0 HB3 ASP B 232 -7.608 -0.873 11.267 1.00 15.00 H new ATOM 708 N PRO B 233 -8.292 -3.858 9.797 1.00 15.00 N ATOM 709 CA PRO B 233 -8.416 -5.216 10.310 1.00 15.00 C ATOM 710 C PRO B 233 -7.873 -6.249 9.327 1.00 15.00 C ATOM 711 O PRO B 233 -6.738 -6.734 9.532 1.00 15.00 O ATOM 712 CB PRO B 233 -9.930 -5.400 10.509 1.00 15.00 C ATOM 713 CG PRO B 233 -10.581 -4.151 9.995 1.00 15.00 C ATOM 714 CD PRO B 233 -9.550 -3.426 9.179 1.00 15.00 C ATOM 715 OXT PRO B 233 -8.581 -6.573 8.353 1.00 15.00 O ATOM 0 HA PRO B 233 -7.842 -5.359 11.226 1.00 15.00 H new ATOM 0 HB2 PRO B 233 -10.289 -6.276 9.968 1.00 15.00 H new ATOM 0 HB3 PRO B 233 -10.167 -5.556 11.561 1.00 15.00 H new ATOM 0 HG2 PRO B 233 -11.454 -4.392 9.388 1.00 15.00 H new ATOM 0 HG3 PRO B 233 -10.928 -3.529 10.820 1.00 15.00 H new ATOM 0 HD2 PRO B 233 -9.600 -3.701 8.126 1.00 15.00 H new ATOM 0 HD3 PRO B 233 -9.678 -2.345 9.232 1.00 15.00 H new TER 723 PRO B 233