USER MOD reduce.3.24.130724 H: found=0, std=0, add=347, rem=0, adj=12 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= 0.641 F(o=-2.3,f=-0.69) USER MOD Set 1.2: B 211 TYR OH : rot 6:sc= -1.33! USER MOD Set 2.1: A 250 ASN : amide:sc= -0.0287 K(o=-1.1,f=-9.3!) USER MOD Set 2.2: A 253 ASN : amide:sc= -1.09 X(o=-1.1,f=-0.76) USER MOD Single : A 238 GLN : amide:sc= -2.56! C(o=-2.6!,f=-3.5!) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 241 THR OG1 : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 247 TYR OH : rot 165:sc= -0.82 USER MOD Single : A 248 TYR OH : rot -30:sc= -1.07 USER MOD Single : A 252 LYS NZ :NH3+ 162:sc= -0.0369 (180deg=-0.293) USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.0423 USER MOD Single : A 256 THR OG1 : rot -139:sc= 0.0338 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 206 SER OG : rot 34:sc= 0.105 USER MOD Single : B 212 SER OG : rot 180:sc= 0.0206 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 10.047 -0.861 -6.322 1.00 15.00 N ATOM 2 CA GLY A 230 11.406 -1.240 -5.863 1.00 15.00 C ATOM 3 C GLY A 230 11.378 -1.886 -4.494 1.00 15.00 C ATOM 4 O GLY A 230 10.368 -2.471 -4.110 1.00 15.00 O ATOM 0 HA2 GLY A 230 11.853 -1.928 -6.580 1.00 15.00 H new ATOM 0 HA3 GLY A 230 12.040 -0.354 -5.834 1.00 15.00 H new ATOM 10 N PRO A 231 12.488 -1.829 -3.742 1.00 15.00 N ATOM 11 CA PRO A 231 12.526 -2.309 -2.363 1.00 15.00 C ATOM 12 C PRO A 231 11.953 -1.280 -1.395 1.00 15.00 C ATOM 13 O PRO A 231 12.374 -0.118 -1.382 1.00 15.00 O ATOM 14 CB PRO A 231 14.015 -2.526 -2.114 1.00 15.00 C ATOM 15 CG PRO A 231 14.701 -1.541 -2.998 1.00 15.00 C ATOM 16 CD PRO A 231 13.797 -1.314 -4.185 1.00 15.00 C ATOM 0 HA PRO A 231 11.927 -3.207 -2.211 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.268 -2.360 -1.067 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.311 -3.547 -2.356 1.00 15.00 H new ATOM 0 HG2 PRO A 231 14.883 -0.607 -2.467 1.00 15.00 H new ATOM 0 HG3 PRO A 231 15.671 -1.920 -3.318 1.00 15.00 H new ATOM 0 HD2 PRO A 231 13.742 -0.258 -4.448 1.00 15.00 H new ATOM 0 HD3 PRO A 231 14.156 -1.844 -5.067 1.00 15.00 H new ATOM 24 N LEU A 232 10.988 -1.700 -0.594 1.00 15.00 N ATOM 25 CA LEU A 232 10.307 -0.785 0.307 1.00 15.00 C ATOM 26 C LEU A 232 10.931 -0.760 1.695 1.00 15.00 C ATOM 27 O LEU A 232 11.647 -1.687 2.075 1.00 15.00 O ATOM 28 CB LEU A 232 8.797 -1.039 0.423 1.00 15.00 C ATOM 29 CG LEU A 232 7.985 -0.625 -0.794 1.00 15.00 C ATOM 30 CD1 LEU A 232 8.329 0.786 -1.222 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.182 -1.593 -1.948 1.00 15.00 C ATOM 0 H LEU A 232 10.659 -2.665 -0.549 1.00 15.00 H new ATOM 0 HA LEU A 232 10.439 0.193 -0.155 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.635 -2.101 0.606 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.419 -0.504 1.294 1.00 15.00 H new ATOM 0 HG LEU A 232 6.933 -0.651 -0.508 1.00 15.00 H new ATOM 0 HD11 LEU A 232 7.734 1.057 -2.094 1.00 15.00 H new ATOM 0 HD12 LEU A 232 8.113 1.476 -0.407 1.00 15.00 H new ATOM 0 HD13 LEU A 232 9.388 0.842 -1.474 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.587 -1.267 -2.802 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.235 -1.617 -2.227 1.00 15.00 H new ATOM 0 HD23 LEU A 232 7.865 -2.591 -1.644 1.00 15.00 H new ATOM 43 N PRO A 233 10.653 0.310 2.480 1.00 15.00 N ATOM 44 CA PRO A 233 11.183 0.484 3.849 1.00 15.00 C ATOM 45 C PRO A 233 10.783 -0.654 4.797 1.00 15.00 C ATOM 46 O PRO A 233 11.234 -0.698 5.942 1.00 15.00 O ATOM 47 CB PRO A 233 10.517 1.792 4.302 1.00 15.00 C ATOM 48 CG PRO A 233 10.278 2.525 3.037 1.00 15.00 C ATOM 49 CD PRO A 233 9.802 1.470 2.105 1.00 15.00 C ATOM 0 HA PRO A 233 12.273 0.492 3.863 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.586 1.602 4.836 1.00 15.00 H new ATOM 0 HB3 PRO A 233 11.162 2.357 4.976 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.535 3.312 3.164 1.00 15.00 H new ATOM 0 HG3 PRO A 233 11.188 3.001 2.672 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.742 1.257 2.239 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.940 1.756 1.062 1.00 15.00 H new ATOM 57 N ASP A 234 9.875 -1.515 4.321 1.00 15.00 N ATOM 58 CA ASP A 234 9.384 -2.687 5.063 1.00 15.00 C ATOM 59 C ASP A 234 8.274 -2.300 6.012 1.00 15.00 C ATOM 60 O ASP A 234 7.811 -3.107 6.819 1.00 15.00 O ATOM 61 CB ASP A 234 10.502 -3.408 5.828 1.00 15.00 C ATOM 62 CG ASP A 234 11.239 -4.424 4.984 1.00 15.00 C ATOM 63 OD1 ASP A 234 12.197 -4.047 4.284 1.00 15.00 O1- ATOM 64 OD2 ASP A 234 10.874 -5.620 5.037 1.00 15.00 O ATOM 0 H ASP A 234 9.454 -1.417 3.397 1.00 15.00 H new ATOM 0 HA ASP A 234 8.993 -3.382 4.320 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.213 -2.671 6.201 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.075 -3.908 6.697 1.00 15.00 H new ATOM 69 N GLY A 235 7.810 -1.074 5.874 1.00 15.00 N ATOM 70 CA GLY A 235 6.637 -0.656 6.592 1.00 15.00 C ATOM 71 C GLY A 235 5.393 -1.029 5.831 1.00 15.00 C ATOM 72 O GLY A 235 4.379 -1.384 6.418 1.00 15.00 O ATOM 0 H GLY A 235 8.227 -0.361 5.276 1.00 15.00 H new ATOM 0 HA2 GLY A 235 6.621 -1.122 7.577 1.00 15.00 H new ATOM 0 HA3 GLY A 235 6.665 0.422 6.750 1.00 15.00 H new ATOM 76 N TRP A 236 5.498 -0.996 4.508 1.00 15.00 N ATOM 77 CA TRP A 236 4.357 -1.242 3.644 1.00 15.00 C ATOM 78 C TRP A 236 4.636 -2.187 2.488 1.00 15.00 C ATOM 79 O TRP A 236 5.748 -2.269 1.966 1.00 15.00 O ATOM 80 CB TRP A 236 3.733 0.058 3.136 1.00 15.00 C ATOM 81 CG TRP A 236 4.647 1.242 2.981 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.002 1.271 2.772 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.225 2.606 3.044 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.437 2.576 2.729 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.361 3.410 2.887 1.00 15.00 C ATOM 86 CE3 TRP A 236 2.984 3.221 3.226 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.294 4.800 2.910 1.00 15.00 C ATOM 88 CZ3 TRP A 236 2.918 4.599 3.242 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.070 5.375 3.087 1.00 15.00 C ATOM 0 H TRP A 236 6.367 -0.800 4.011 1.00 15.00 H new ATOM 0 HA TRP A 236 3.637 -1.752 4.284 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.273 -0.143 2.169 1.00 15.00 H new ATOM 0 HB3 TRP A 236 2.930 0.337 3.819 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.632 0.401 2.658 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.404 2.874 2.600 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.091 2.627 3.352 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.182 5.403 2.792 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 1.963 5.085 3.376 1.00 15.00 H new ATOM 0 HH2 TRP A 236 3.989 6.452 3.108 1.00 15.00 H new ATOM 100 N GLU A 237 3.573 -2.885 2.104 1.00 15.00 N ATOM 101 CA GLU A 237 3.597 -3.882 1.050 1.00 15.00 C ATOM 102 C GLU A 237 2.610 -3.456 -0.041 1.00 15.00 C ATOM 103 O GLU A 237 1.502 -3.015 0.271 1.00 15.00 O ATOM 104 CB GLU A 237 3.184 -5.230 1.654 1.00 15.00 C ATOM 105 CG GLU A 237 3.798 -6.441 0.982 1.00 15.00 C ATOM 106 CD GLU A 237 3.416 -6.574 -0.476 1.00 15.00 C ATOM 107 OE1 GLU A 237 2.317 -7.086 -0.762 1.00 15.00 O1- ATOM 108 OE2 GLU A 237 4.218 -6.164 -1.342 1.00 15.00 O ATOM 0 H GLU A 237 2.653 -2.768 2.528 1.00 15.00 H new ATOM 0 HA GLU A 237 4.592 -3.974 0.614 1.00 15.00 H new ATOM 0 HB2 GLU A 237 3.458 -5.239 2.709 1.00 15.00 H new ATOM 0 HB3 GLU A 237 2.098 -5.317 1.606 1.00 15.00 H new ATOM 0 HG2 GLU A 237 4.883 -6.381 1.062 1.00 15.00 H new ATOM 0 HG3 GLU A 237 3.488 -7.340 1.515 1.00 15.00 H new ATOM 115 N GLN A 238 2.996 -3.601 -1.303 1.00 15.00 N ATOM 116 CA GLN A 238 2.159 -3.150 -2.411 1.00 15.00 C ATOM 117 C GLN A 238 1.214 -4.261 -2.863 1.00 15.00 C ATOM 118 O GLN A 238 1.653 -5.250 -3.451 1.00 15.00 O ATOM 119 CB GLN A 238 3.020 -2.700 -3.594 1.00 15.00 C ATOM 120 CG GLN A 238 2.219 -2.188 -4.773 1.00 15.00 C ATOM 121 CD GLN A 238 3.033 -2.159 -6.047 1.00 15.00 C ATOM 122 OE1 GLN A 238 3.693 -1.167 -6.360 1.00 15.00 O ATOM 123 NE2 GLN A 238 2.994 -3.254 -6.789 1.00 15.00 N ATOM 0 H GLN A 238 3.879 -4.025 -1.585 1.00 15.00 H new ATOM 0 HA GLN A 238 1.570 -2.304 -2.058 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.699 -1.915 -3.260 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.637 -3.537 -3.922 1.00 15.00 H new ATOM 0 HG2 GLN A 238 1.343 -2.821 -4.918 1.00 15.00 H new ATOM 0 HG3 GLN A 238 1.854 -1.184 -4.554 1.00 15.00 H new ATOM 0 HE21 GLN A 238 2.434 -4.052 -6.491 1.00 15.00 H new ATOM 0 HE22 GLN A 238 3.524 -3.300 -7.659 1.00 15.00 H new ATOM 132 N ALA A 239 -0.078 -4.113 -2.579 1.00 15.00 N ATOM 133 CA ALA A 239 -1.062 -5.086 -3.016 1.00 15.00 C ATOM 134 C ALA A 239 -1.836 -4.544 -4.215 1.00 15.00 C ATOM 135 O ALA A 239 -2.102 -3.345 -4.295 1.00 15.00 O ATOM 136 CB ALA A 239 -2.012 -5.428 -1.879 1.00 15.00 C ATOM 0 H ALA A 239 -0.462 -3.330 -2.050 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.545 -5.998 -3.316 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -2.744 -6.159 -2.224 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.447 -5.845 -1.046 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.528 -4.525 -1.552 1.00 15.00 H new ATOM 142 N MET A 240 -2.188 -5.415 -5.147 1.00 15.00 N ATOM 143 CA MET A 240 -2.900 -4.997 -6.347 1.00 15.00 C ATOM 144 C MET A 240 -4.399 -5.206 -6.180 1.00 15.00 C ATOM 145 O MET A 240 -4.843 -6.316 -5.886 1.00 15.00 O ATOM 146 CB MET A 240 -2.412 -5.798 -7.560 1.00 15.00 C ATOM 147 CG MET A 240 -0.914 -5.715 -7.807 1.00 15.00 C ATOM 148 SD MET A 240 -0.397 -6.665 -9.251 1.00 15.00 S ATOM 149 CE MET A 240 1.365 -6.339 -9.260 1.00 15.00 C ATOM 0 H MET A 240 -1.993 -6.415 -5.097 1.00 15.00 H new ATOM 0 HA MET A 240 -2.701 -3.937 -6.506 1.00 15.00 H new ATOM 0 HB2 MET A 240 -2.688 -6.844 -7.424 1.00 15.00 H new ATOM 0 HB3 MET A 240 -2.934 -5.443 -8.448 1.00 15.00 H new ATOM 0 HG2 MET A 240 -0.629 -4.672 -7.942 1.00 15.00 H new ATOM 0 HG3 MET A 240 -0.383 -6.080 -6.927 1.00 15.00 H new ATOM 0 HE1 MET A 240 1.827 -6.860 -10.098 1.00 15.00 H new ATOM 0 HE2 MET A 240 1.536 -5.267 -9.360 1.00 15.00 H new ATOM 0 HE3 MET A 240 1.805 -6.691 -8.327 1.00 15.00 H new ATOM 159 N THR A 241 -5.183 -4.150 -6.362 1.00 15.00 N ATOM 160 CA THR A 241 -6.624 -4.306 -6.390 1.00 15.00 C ATOM 161 C THR A 241 -7.059 -4.559 -7.833 1.00 15.00 C ATOM 162 O THR A 241 -6.477 -4.004 -8.775 1.00 15.00 O ATOM 163 CB THR A 241 -7.378 -3.097 -5.769 1.00 15.00 C ATOM 164 OG1 THR A 241 -8.687 -3.508 -5.353 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.513 -1.933 -6.743 1.00 15.00 C ATOM 0 H THR A 241 -4.849 -3.195 -6.490 1.00 15.00 H new ATOM 0 HA THR A 241 -6.890 -5.160 -5.767 1.00 15.00 H new ATOM 0 HB THR A 241 -6.790 -2.755 -4.917 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.160 -2.745 -4.960 1.00 15.00 H new ATOM 0 HG21 THR A 241 -8.047 -1.115 -6.260 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.522 -1.593 -7.043 1.00 15.00 H new ATOM 0 HG23 THR A 241 -8.067 -2.258 -7.624 1.00 15.00 H new ATOM 173 N GLN A 242 -8.073 -5.399 -7.997 1.00 15.00 N ATOM 174 CA GLN A 242 -8.422 -5.963 -9.300 1.00 15.00 C ATOM 175 C GLN A 242 -8.859 -4.898 -10.310 1.00 15.00 C ATOM 176 O GLN A 242 -8.807 -5.126 -11.520 1.00 15.00 O ATOM 177 CB GLN A 242 -9.518 -7.015 -9.125 1.00 15.00 C ATOM 178 CG GLN A 242 -9.862 -7.769 -10.397 1.00 15.00 C ATOM 179 CD GLN A 242 -10.924 -8.823 -10.174 1.00 15.00 C ATOM 180 OE1 GLN A 242 -11.022 -9.403 -9.092 1.00 15.00 O ATOM 181 NE2 GLN A 242 -11.729 -9.076 -11.190 1.00 15.00 N ATOM 0 H GLN A 242 -8.676 -5.709 -7.235 1.00 15.00 H new ATOM 0 HA GLN A 242 -7.523 -6.426 -9.707 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -9.202 -7.730 -8.366 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -10.418 -6.528 -8.750 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -10.208 -7.063 -11.152 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -8.962 -8.242 -10.791 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -11.614 -8.573 -12.070 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -12.466 -9.775 -11.095 1.00 15.00 H new ATOM 190 N ASP A 243 -9.295 -3.746 -9.817 1.00 15.00 N ATOM 191 CA ASP A 243 -9.738 -2.663 -10.690 1.00 15.00 C ATOM 192 C ASP A 243 -8.550 -1.988 -11.380 1.00 15.00 C ATOM 193 O ASP A 243 -8.723 -1.146 -12.262 1.00 15.00 O ATOM 194 CB ASP A 243 -10.553 -1.642 -9.898 1.00 15.00 C ATOM 195 CG ASP A 243 -11.288 -0.665 -10.793 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.026 -1.117 -11.697 1.00 15.00 O1- ATOM 197 OD2 ASP A 243 -11.138 0.558 -10.595 1.00 15.00 O ATOM 0 H ASP A 243 -9.352 -3.536 -8.820 1.00 15.00 H new ATOM 0 HA ASP A 243 -10.374 -3.091 -11.465 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.273 -2.166 -9.269 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -9.890 -1.091 -9.232 1.00 15.00 H new ATOM 202 N GLY A 244 -7.343 -2.369 -10.984 1.00 15.00 N ATOM 203 CA GLY A 244 -6.157 -1.866 -11.645 1.00 15.00 C ATOM 204 C GLY A 244 -5.433 -0.775 -10.871 1.00 15.00 C ATOM 205 O GLY A 244 -4.862 0.132 -11.472 1.00 15.00 O ATOM 0 H GLY A 244 -7.165 -3.017 -10.217 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -5.469 -2.694 -11.815 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -6.436 -1.478 -12.625 1.00 15.00 H new ATOM 209 N GLU A 245 -5.438 -0.858 -9.546 1.00 15.00 N ATOM 210 CA GLU A 245 -4.707 0.101 -8.723 1.00 15.00 C ATOM 211 C GLU A 245 -4.009 -0.612 -7.575 1.00 15.00 C ATOM 212 O GLU A 245 -4.586 -1.473 -6.917 1.00 15.00 O ATOM 213 CB GLU A 245 -5.630 1.205 -8.193 1.00 15.00 C ATOM 214 CG GLU A 245 -5.913 2.291 -9.219 1.00 15.00 C ATOM 215 CD GLU A 245 -6.693 3.459 -8.659 1.00 15.00 C ATOM 216 OE1 GLU A 245 -7.923 3.341 -8.506 1.00 15.00 O ATOM 217 OE2 GLU A 245 -6.081 4.521 -8.408 1.00 15.00 O1- ATOM 0 H GLU A 245 -5.937 -1.575 -9.020 1.00 15.00 H new ATOM 0 HA GLU A 245 -3.953 0.576 -9.351 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.573 0.760 -7.875 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -5.177 1.657 -7.311 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -4.968 2.655 -9.622 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -6.469 1.858 -10.051 1.00 15.00 H new ATOM 224 N ILE A 246 -2.763 -0.253 -7.348 1.00 15.00 N ATOM 225 CA ILE A 246 -1.963 -0.876 -6.307 1.00 15.00 C ATOM 226 C ILE A 246 -1.901 0.020 -5.077 1.00 15.00 C ATOM 227 O ILE A 246 -1.778 1.236 -5.200 1.00 15.00 O ATOM 228 CB ILE A 246 -0.541 -1.171 -6.823 1.00 15.00 C ATOM 229 CG1 ILE A 246 0.098 0.107 -7.385 1.00 15.00 C ATOM 230 CG2 ILE A 246 -0.586 -2.268 -7.878 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.318 -0.142 -8.246 1.00 15.00 C ATOM 0 H ILE A 246 -2.276 0.473 -7.874 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.434 -1.819 -6.029 1.00 15.00 H new ATOM 0 HB ILE A 246 0.074 -1.519 -5.993 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.646 0.644 -7.973 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.378 0.756 -6.555 1.00 15.00 H new ATOM 0 HG21 ILE A 246 0.423 -2.469 -8.237 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -1.004 -3.175 -7.442 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.210 -1.946 -8.712 1.00 15.00 H new ATOM 0 HD11 ILE A 246 1.711 0.810 -8.604 1.00 15.00 H new ATOM 0 HD12 ILE A 246 2.081 -0.651 -7.657 1.00 15.00 H new ATOM 0 HD13 ILE A 246 1.042 -0.764 -9.097 1.00 15.00 H new ATOM 243 N TYR A 247 -2.006 -0.578 -3.899 1.00 15.00 N ATOM 244 CA TYR A 247 -2.014 0.188 -2.663 1.00 15.00 C ATOM 245 C TYR A 247 -1.047 -0.425 -1.638 1.00 15.00 C ATOM 246 O TYR A 247 -1.014 -1.645 -1.464 1.00 15.00 O ATOM 247 CB TYR A 247 -3.439 0.255 -2.084 1.00 15.00 C ATOM 248 CG TYR A 247 -4.069 -1.094 -1.786 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.565 -1.894 -2.808 1.00 15.00 C ATOM 250 CD2 TYR A 247 -4.166 -1.565 -0.480 1.00 15.00 C ATOM 251 CE1 TYR A 247 -5.138 -3.121 -2.540 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.739 -2.794 -0.205 1.00 15.00 C ATOM 253 CZ TYR A 247 -5.222 -3.568 -1.238 1.00 15.00 C ATOM 254 OH TYR A 247 -5.791 -4.792 -0.971 1.00 15.00 O ATOM 0 H TYR A 247 -2.086 -1.587 -3.774 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.680 1.202 -2.885 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.415 0.840 -1.165 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -4.077 0.791 -2.787 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.501 -1.550 -3.830 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.788 -0.961 0.332 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.519 -3.729 -3.347 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.807 -3.145 0.814 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.563 -5.067 -0.058 1.00 15.00 H new ATOM 264 N TYR A 248 -0.270 0.414 -0.954 1.00 15.00 N ATOM 265 CA TYR A 248 0.640 -0.039 0.080 1.00 15.00 C ATOM 266 C TYR A 248 -0.042 -0.046 1.436 1.00 15.00 C ATOM 267 O TYR A 248 -0.530 0.985 1.904 1.00 15.00 O ATOM 268 CB TYR A 248 1.876 0.861 0.144 1.00 15.00 C ATOM 269 CG TYR A 248 2.913 0.539 -0.898 1.00 15.00 C ATOM 270 CD1 TYR A 248 2.837 1.064 -2.182 1.00 15.00 C ATOM 271 CD2 TYR A 248 3.971 -0.299 -0.595 1.00 15.00 C ATOM 272 CE1 TYR A 248 3.788 0.754 -3.132 1.00 15.00 C ATOM 273 CE2 TYR A 248 4.918 -0.608 -1.539 1.00 15.00 C ATOM 274 CZ TYR A 248 4.824 -0.084 -2.805 1.00 15.00 C ATOM 275 OH TYR A 248 5.773 -0.405 -3.748 1.00 15.00 O ATOM 0 H TYR A 248 -0.258 1.423 -1.105 1.00 15.00 H new ATOM 0 HA TYR A 248 0.945 -1.055 -0.172 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.565 1.899 0.026 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.327 0.774 1.132 1.00 15.00 H new ATOM 0 HD1 TYR A 248 2.022 1.724 -2.440 1.00 15.00 H new ATOM 0 HD2 TYR A 248 4.053 -0.716 0.398 1.00 15.00 H new ATOM 0 HE1 TYR A 248 3.717 1.168 -4.127 1.00 15.00 H new ATOM 0 HE2 TYR A 248 5.738 -1.264 -1.286 1.00 15.00 H new ATOM 0 HH TYR A 248 5.367 -0.390 -4.640 1.00 15.00 H new ATOM 285 N ILE A 249 -0.080 -1.213 2.057 1.00 15.00 N ATOM 286 CA ILE A 249 -0.562 -1.334 3.417 1.00 15.00 C ATOM 287 C ILE A 249 0.608 -1.195 4.390 1.00 15.00 C ATOM 288 O ILE A 249 1.484 -2.062 4.453 1.00 15.00 O ATOM 289 CB ILE A 249 -1.293 -2.679 3.640 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.439 -3.858 3.159 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.630 -2.671 2.918 1.00 15.00 C ATOM 292 CD1 ILE A 249 -1.072 -5.212 3.406 1.00 15.00 C ATOM 0 H ILE A 249 0.219 -2.092 1.636 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.281 -0.536 3.599 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.465 -2.800 4.710 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.249 -3.745 2.092 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.528 -3.822 3.660 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.137 -3.622 3.081 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.247 -1.860 3.304 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.466 -2.525 1.850 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -0.409 -5.996 3.039 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -1.237 -5.347 4.475 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -2.026 -5.269 2.882 1.00 15.00 H new ATOM 304 N ASN A 250 0.638 -0.097 5.134 1.00 15.00 N ATOM 305 CA ASN A 250 1.747 0.166 6.040 1.00 15.00 C ATOM 306 C ASN A 250 1.436 -0.445 7.416 1.00 15.00 C ATOM 307 O ASN A 250 0.527 0.025 8.098 1.00 15.00 O ATOM 308 CB ASN A 250 1.985 1.678 6.178 1.00 15.00 C ATOM 309 CG ASN A 250 3.235 2.026 6.976 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.636 1.306 7.892 1.00 15.00 O ATOM 311 ND2 ASN A 250 3.859 3.144 6.635 1.00 15.00 N ATOM 0 H ASN A 250 -0.087 0.620 5.128 1.00 15.00 H new ATOM 0 HA ASN A 250 2.651 -0.288 5.635 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.064 2.118 5.184 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.118 2.132 6.659 1.00 15.00 H new ATOM 0 HD21 ASN A 250 4.699 3.432 7.136 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.499 3.716 5.871 1.00 15.00 H new ATOM 318 N HIS A 251 2.179 -1.487 7.833 1.00 15.00 N ATOM 319 CA HIS A 251 1.877 -2.206 9.059 1.00 15.00 C ATOM 320 C HIS A 251 2.408 -1.459 10.274 1.00 15.00 C ATOM 321 O HIS A 251 1.903 -1.621 11.384 1.00 15.00 O ATOM 322 CB HIS A 251 2.487 -3.614 9.019 1.00 15.00 C ATOM 323 CG HIS A 251 2.004 -4.463 7.880 1.00 15.00 C ATOM 324 ND1 HIS A 251 0.836 -5.123 7.706 1.00 15.00 N flip ATOM 325 CD2 HIS A 251 2.759 -4.727 6.754 1.00 15.00 C flip ATOM 326 CE1 HIS A 251 0.905 -5.765 6.496 1.00 15.00 C flip ATOM 327 NE2 HIS A 251 2.075 -5.508 5.941 1.00 15.00 N flip ATOM 0 H HIS A 251 2.992 -1.841 7.329 1.00 15.00 H new ATOM 0 HA HIS A 251 0.793 -2.284 9.140 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.572 -3.526 8.957 1.00 15.00 H new ATOM 0 HB3 HIS A 251 2.262 -4.122 9.957 1.00 15.00 H new ATOM 0 HD2 HIS A 251 3.755 -4.352 6.568 1.00 15.00 H new ATOM 0 HE1 HIS A 251 0.128 -6.381 6.067 1.00 15.00 H new ATOM 0 HE2 HIS A 251 2.395 -5.855 5.037 1.00 15.00 H new ATOM 336 N LYS A 252 3.439 -0.654 10.060 1.00 15.00 N ATOM 337 CA LYS A 252 4.093 0.051 11.157 1.00 15.00 C ATOM 338 C LYS A 252 3.373 1.353 11.492 1.00 15.00 C ATOM 339 O LYS A 252 3.431 1.830 12.623 1.00 15.00 O ATOM 340 CB LYS A 252 5.556 0.342 10.814 1.00 15.00 C ATOM 341 CG LYS A 252 6.322 -0.874 10.315 1.00 15.00 C ATOM 342 CD LYS A 252 7.778 -0.539 10.035 1.00 15.00 C ATOM 343 CE LYS A 252 8.578 -0.371 11.317 1.00 15.00 C ATOM 344 NZ LYS A 252 8.693 -1.650 12.068 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.841 -0.472 9.140 1.00 15.00 H new ATOM 0 HA LYS A 252 4.052 -0.598 12.032 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.593 1.121 10.053 1.00 15.00 H new ATOM 0 HB3 LYS A 252 6.056 0.737 11.699 1.00 15.00 H new ATOM 0 HG2 LYS A 252 6.267 -1.670 11.058 1.00 15.00 H new ATOM 0 HG3 LYS A 252 5.854 -1.253 9.407 1.00 15.00 H new ATOM 0 HD2 LYS A 252 8.223 -1.330 9.431 1.00 15.00 H new ATOM 0 HD3 LYS A 252 7.833 0.379 9.450 1.00 15.00 H new ATOM 0 HE2 LYS A 252 9.574 0.001 11.078 1.00 15.00 H new ATOM 0 HE3 LYS A 252 8.101 0.379 11.948 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 9.474 -1.582 12.751 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 7.804 -1.836 12.575 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 8.881 -2.427 11.403 1.00 15.00 H new ATOM 358 N ASN A 253 2.724 1.947 10.503 1.00 15.00 N ATOM 359 CA ASN A 253 2.027 3.209 10.711 1.00 15.00 C ATOM 360 C ASN A 253 0.523 3.045 10.547 1.00 15.00 C ATOM 361 O ASN A 253 -0.237 3.986 10.784 1.00 15.00 O ATOM 362 CB ASN A 253 2.545 4.274 9.745 1.00 15.00 C ATOM 363 CG ASN A 253 3.998 4.643 9.992 1.00 15.00 C ATOM 364 OD1 ASN A 253 4.732 4.964 9.059 1.00 15.00 O ATOM 365 ND2 ASN A 253 4.422 4.615 11.248 1.00 15.00 N ATOM 0 H ASN A 253 2.665 1.579 9.553 1.00 15.00 H new ATOM 0 HA ASN A 253 2.225 3.530 11.734 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.436 3.913 8.722 1.00 15.00 H new ATOM 0 HB3 ASN A 253 1.928 5.168 9.834 1.00 15.00 H new ATOM 0 HD21 ASN A 253 5.386 4.865 11.466 1.00 15.00 H new ATOM 0 HD22 ASN A 253 3.784 4.343 11.996 1.00 15.00 H new ATOM 372 N LYS A 254 0.098 1.850 10.128 1.00 15.00 N ATOM 373 CA LYS A 254 -1.323 1.541 9.967 1.00 15.00 C ATOM 374 C LYS A 254 -1.953 2.497 8.942 1.00 15.00 C ATOM 375 O LYS A 254 -3.116 2.886 9.046 1.00 15.00 O ATOM 376 CB LYS A 254 -2.004 1.621 11.347 1.00 15.00 C ATOM 377 CG LYS A 254 -3.467 1.202 11.382 1.00 15.00 C ATOM 378 CD LYS A 254 -3.990 1.153 12.808 1.00 15.00 C ATOM 379 CE LYS A 254 -3.341 0.027 13.595 1.00 15.00 C ATOM 380 NZ LYS A 254 -3.640 0.115 15.048 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.722 1.078 9.893 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.459 0.531 9.581 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.448 0.994 12.044 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -1.929 2.646 11.711 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -4.063 1.903 10.797 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.579 0.223 10.917 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -3.795 2.105 13.302 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -5.071 1.016 12.797 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -3.691 -0.931 13.211 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -2.262 0.056 13.445 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -3.178 -0.672 15.546 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -3.284 1.018 15.422 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -4.668 0.061 15.195 1.00 15.00 H new ATOM 394 N THR A 255 -1.183 2.822 7.915 1.00 15.00 N ATOM 395 CA THR A 255 -1.592 3.806 6.917 1.00 15.00 C ATOM 396 C THR A 255 -1.610 3.200 5.508 1.00 15.00 C ATOM 397 O THR A 255 -0.862 2.265 5.225 1.00 15.00 O ATOM 398 CB THR A 255 -0.654 5.032 6.933 1.00 15.00 C ATOM 399 OG1 THR A 255 0.712 4.608 7.024 1.00 15.00 O ATOM 400 CG2 THR A 255 -0.979 5.956 8.096 1.00 15.00 C ATOM 0 H THR A 255 -0.262 2.416 7.748 1.00 15.00 H new ATOM 0 HA THR A 255 -2.602 4.123 7.176 1.00 15.00 H new ATOM 0 HB THR A 255 -0.804 5.580 6.003 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.298 5.393 7.032 1.00 15.00 H new ATOM 0 HG21 THR A 255 -0.302 6.811 8.082 1.00 15.00 H new ATOM 0 HG22 THR A 255 -2.007 6.306 8.006 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.860 5.415 9.035 1.00 15.00 H new ATOM 408 N THR A 256 -2.483 3.705 4.638 1.00 15.00 N ATOM 409 CA THR A 256 -2.533 3.235 3.262 1.00 15.00 C ATOM 410 C THR A 256 -2.073 4.336 2.302 1.00 15.00 C ATOM 411 O THR A 256 -2.512 5.482 2.406 1.00 15.00 O ATOM 412 CB THR A 256 -3.956 2.790 2.866 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.601 2.152 3.976 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.905 1.820 1.693 1.00 15.00 C ATOM 0 H THR A 256 -3.159 4.435 4.863 1.00 15.00 H new ATOM 0 HA THR A 256 -1.864 2.377 3.191 1.00 15.00 H new ATOM 0 HB THR A 256 -4.521 3.676 2.575 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.101 1.371 3.659 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.918 1.517 1.427 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.436 2.307 0.838 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.325 0.941 1.973 1.00 15.00 H new ATOM 422 N SER A 257 -1.181 3.989 1.383 1.00 15.00 N ATOM 423 CA SER A 257 -0.718 4.923 0.361 1.00 15.00 C ATOM 424 C SER A 257 -0.448 4.157 -0.926 1.00 15.00 C ATOM 425 O SER A 257 0.231 3.147 -0.898 1.00 15.00 O ATOM 426 CB SER A 257 0.548 5.642 0.834 1.00 15.00 C ATOM 427 OG SER A 257 0.926 6.668 -0.069 1.00 15.00 O ATOM 0 H SER A 257 -0.761 3.062 1.323 1.00 15.00 H new ATOM 0 HA SER A 257 -1.486 5.675 0.179 1.00 15.00 H new ATOM 0 HB2 SER A 257 0.378 6.069 1.822 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.362 4.923 0.932 1.00 15.00 H new ATOM 0 HG SER A 257 1.736 7.111 0.260 1.00 15.00 H new ATOM 433 N TRP A 258 -0.945 4.657 -2.051 1.00 15.00 N ATOM 434 CA TRP A 258 -0.986 3.878 -3.295 1.00 15.00 C ATOM 435 C TRP A 258 0.392 3.427 -3.789 1.00 15.00 C ATOM 436 O TRP A 258 0.640 2.231 -3.946 1.00 15.00 O ATOM 437 CB TRP A 258 -1.654 4.683 -4.412 1.00 15.00 C ATOM 438 CG TRP A 258 -3.100 4.991 -4.178 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.624 6.177 -3.761 1.00 15.00 C ATOM 440 CD2 TRP A 258 -4.209 4.104 -4.366 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.991 6.081 -3.672 1.00 15.00 N ATOM 442 CE2 TRP A 258 -5.375 4.819 -4.041 1.00 15.00 C ATOM 443 CE3 TRP A 258 -4.330 2.774 -4.777 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.643 4.249 -4.118 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -5.588 2.210 -4.850 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.730 2.947 -4.525 1.00 15.00 C ATOM 0 H TRP A 258 -1.327 5.599 -2.133 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.562 2.984 -3.054 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -1.112 5.620 -4.540 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -1.560 4.130 -5.347 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -3.049 7.063 -3.534 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.619 6.829 -3.378 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -3.454 2.197 -5.033 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.527 4.816 -3.865 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -5.691 1.182 -5.164 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -7.700 2.479 -4.597 1.00 15.00 H new ATOM 457 N LEU A 259 1.283 4.375 -4.038 1.00 15.00 N ATOM 458 CA LEU A 259 2.484 4.089 -4.815 1.00 15.00 C ATOM 459 C LEU A 259 3.776 4.119 -4.012 1.00 15.00 C ATOM 460 O LEU A 259 3.858 4.701 -2.930 1.00 15.00 O ATOM 461 CB LEU A 259 2.582 5.012 -6.025 1.00 15.00 C ATOM 462 CG LEU A 259 1.880 4.474 -7.271 1.00 15.00 C ATOM 463 CD1 LEU A 259 2.091 5.409 -8.451 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.387 3.068 -7.591 1.00 15.00 C ATOM 0 H LEU A 259 1.201 5.340 -3.718 1.00 15.00 H new ATOM 0 HA LEU A 259 2.371 3.058 -5.150 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.153 5.980 -5.767 1.00 15.00 H new ATOM 0 HB3 LEU A 259 3.634 5.181 -6.257 1.00 15.00 H new ATOM 0 HG LEU A 259 0.809 4.420 -7.075 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.583 5.008 -9.328 1.00 15.00 H new ATOM 0 HD12 LEU A 259 1.684 6.392 -8.214 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.157 5.498 -8.658 1.00 15.00 H new ATOM 0 HD21 LEU A 259 1.881 2.693 -8.481 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.461 3.101 -7.771 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.180 2.406 -6.750 1.00 15.00 H new ATOM 476 N ASP A 260 4.779 3.474 -4.604 1.00 15.00 N ATOM 477 CA ASP A 260 6.087 3.249 -3.997 1.00 15.00 C ATOM 478 C ASP A 260 6.775 4.569 -3.647 1.00 15.00 C ATOM 479 O ASP A 260 7.022 5.407 -4.518 1.00 15.00 O ATOM 480 CB ASP A 260 6.943 2.452 -4.992 1.00 15.00 C ATOM 481 CG ASP A 260 8.295 2.025 -4.450 1.00 15.00 C ATOM 482 OD1 ASP A 260 8.874 2.761 -3.636 1.00 15.00 O ATOM 483 OD2 ASP A 260 8.789 0.953 -4.863 1.00 15.00 O1- ATOM 0 H ASP A 260 4.701 3.084 -5.543 1.00 15.00 H new ATOM 0 HA ASP A 260 5.963 2.694 -3.067 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.391 1.564 -5.299 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.097 3.056 -5.886 1.00 15.00 H new ATOM 488 N PRO A 261 7.079 4.764 -2.355 1.00 15.00 N ATOM 489 CA PRO A 261 7.706 5.983 -1.858 1.00 15.00 C ATOM 490 C PRO A 261 9.221 6.034 -2.076 1.00 15.00 C ATOM 491 O PRO A 261 9.838 7.094 -1.935 1.00 15.00 O ATOM 492 CB PRO A 261 7.378 5.954 -0.367 1.00 15.00 C ATOM 493 CG PRO A 261 7.243 4.512 -0.015 1.00 15.00 C ATOM 494 CD PRO A 261 6.826 3.793 -1.275 1.00 15.00 C ATOM 0 HA PRO A 261 7.337 6.862 -2.386 1.00 15.00 H new ATOM 0 HB2 PRO A 261 8.167 6.428 0.217 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.456 6.497 -0.158 1.00 15.00 H new ATOM 0 HG2 PRO A 261 8.186 4.116 0.362 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.502 4.374 0.772 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.402 2.879 -1.420 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.775 3.505 -1.238 1.00 15.00 H new ATOM 502 N ARG A 262 9.827 4.893 -2.384 1.00 15.00 N ATOM 503 CA ARG A 262 11.279 4.820 -2.519 1.00 15.00 C ATOM 504 C ARG A 262 11.729 5.338 -3.885 1.00 15.00 C ATOM 505 O ARG A 262 12.918 5.525 -4.123 1.00 15.00 O ATOM 506 CB ARG A 262 11.793 3.385 -2.244 1.00 15.00 C ATOM 507 CG ARG A 262 11.719 2.403 -3.415 1.00 15.00 C ATOM 508 CD ARG A 262 12.910 2.524 -4.355 1.00 15.00 C ATOM 509 NE ARG A 262 14.188 2.362 -3.659 1.00 15.00 N ATOM 510 CZ ARG A 262 15.296 3.038 -3.969 1.00 15.00 C ATOM 511 NH1 ARG A 262 15.288 3.923 -4.959 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 16.414 2.822 -3.291 1.00 15.00 N ATOM 0 H ARG A 262 9.340 4.011 -2.544 1.00 15.00 H new ATOM 0 HA ARG A 262 11.724 5.470 -1.765 1.00 15.00 H new ATOM 0 HB2 ARG A 262 12.831 3.450 -1.917 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.222 2.970 -1.413 1.00 15.00 H new ATOM 0 HG2 ARG A 262 11.668 1.385 -3.028 1.00 15.00 H new ATOM 0 HG3 ARG A 262 10.800 2.578 -3.974 1.00 15.00 H new ATOM 0 HD2 ARG A 262 12.828 1.772 -5.139 1.00 15.00 H new ATOM 0 HD3 ARG A 262 12.886 3.498 -4.844 1.00 15.00 H new ATOM 0 HE ARG A 262 14.234 1.692 -2.891 1.00 15.00 H new ATOM 0 HH11 ARG A 262 14.432 4.089 -5.487 1.00 15.00 H new ATOM 0 HH12 ARG A 262 16.138 4.436 -5.191 1.00 15.00 H new ATOM 0 HH21 ARG A 262 16.427 2.140 -2.533 1.00 15.00 H new ATOM 0 HH22 ARG A 262 17.261 3.338 -3.527 1.00 15.00 H new ATOM 526 N LEU A 263 10.776 5.568 -4.780 1.00 15.00 N ATOM 527 CA LEU A 263 11.094 5.949 -6.156 1.00 15.00 C ATOM 528 C LEU A 263 11.514 7.415 -6.280 1.00 15.00 C ATOM 529 O LEU A 263 11.983 7.836 -7.336 1.00 15.00 O ATOM 530 CB LEU A 263 9.901 5.683 -7.078 1.00 15.00 C ATOM 531 CG LEU A 263 9.470 4.218 -7.188 1.00 15.00 C ATOM 532 CD1 LEU A 263 8.289 4.087 -8.136 1.00 15.00 C ATOM 533 CD2 LEU A 263 10.626 3.349 -7.658 1.00 15.00 C ATOM 0 H LEU A 263 9.778 5.498 -4.581 1.00 15.00 H new ATOM 0 HA LEU A 263 11.942 5.334 -6.458 1.00 15.00 H new ATOM 0 HB2 LEU A 263 9.052 6.268 -6.724 1.00 15.00 H new ATOM 0 HB3 LEU A 263 10.146 6.048 -8.075 1.00 15.00 H new ATOM 0 HG LEU A 263 9.166 3.874 -6.199 1.00 15.00 H new ATOM 0 HD11 LEU A 263 7.992 3.040 -8.205 1.00 15.00 H new ATOM 0 HD12 LEU A 263 7.453 4.677 -7.760 1.00 15.00 H new ATOM 0 HD13 LEU A 263 8.573 4.450 -9.124 1.00 15.00 H new ATOM 0 HD21 LEU A 263 10.297 2.312 -7.729 1.00 15.00 H new ATOM 0 HD22 LEU A 263 10.963 3.690 -8.637 1.00 15.00 H new ATOM 0 HD23 LEU A 263 11.448 3.421 -6.946 1.00 15.00 H new ATOM 545 N ASP A 264 11.330 8.194 -5.219 1.00 15.00 N ATOM 546 CA ASP A 264 11.662 9.623 -5.264 1.00 15.00 C ATOM 547 C ASP A 264 13.158 9.913 -5.461 1.00 15.00 C ATOM 548 O ASP A 264 13.511 10.725 -6.317 1.00 15.00 O ATOM 549 CB ASP A 264 11.134 10.369 -4.035 1.00 15.00 C ATOM 550 CG ASP A 264 9.683 10.765 -4.186 1.00 15.00 C ATOM 551 OD1 ASP A 264 9.412 11.792 -4.846 1.00 15.00 O1- ATOM 552 OD2 ASP A 264 8.810 10.051 -3.659 1.00 15.00 O ATOM 0 H ASP A 264 10.958 7.870 -4.326 1.00 15.00 H new ATOM 0 HA ASP A 264 11.154 9.998 -6.153 1.00 15.00 H new ATOM 0 HB2 ASP A 264 11.247 9.738 -3.153 1.00 15.00 H new ATOM 0 HB3 ASP A 264 11.737 11.262 -3.867 1.00 15.00 H new ATOM 557 N PRO A 265 14.056 9.301 -4.668 1.00 15.00 N ATOM 558 CA PRO A 265 15.506 9.460 -4.848 1.00 15.00 C ATOM 559 C PRO A 265 15.986 8.914 -6.191 1.00 15.00 C ATOM 560 O PRO A 265 16.190 7.685 -6.302 1.00 15.00 O ATOM 561 CB PRO A 265 16.111 8.649 -3.695 1.00 15.00 C ATOM 562 CG PRO A 265 15.030 7.717 -3.272 1.00 15.00 C ATOM 563 CD PRO A 265 13.743 8.445 -3.524 1.00 15.00 C ATOM 564 OXT PRO A 265 16.164 9.712 -7.133 1.00 15.00 O ATOM 0 HA PRO A 265 15.799 10.510 -4.842 1.00 15.00 H new ATOM 0 HB2 PRO A 265 16.998 8.104 -4.018 1.00 15.00 H new ATOM 0 HB3 PRO A 265 16.417 9.297 -2.874 1.00 15.00 H new ATOM 0 HG2 PRO A 265 15.071 6.787 -3.839 1.00 15.00 H new ATOM 0 HG3 PRO A 265 15.131 7.453 -2.219 1.00 15.00 H new ATOM 0 HD2 PRO A 265 12.929 7.756 -3.749 1.00 15.00 H new ATOM 0 HD3 PRO A 265 13.436 9.030 -2.657 1.00 15.00 H new ATOM 573 N SER B 206 -6.992 10.247 -4.777 1.00 15.00 N ATOM 574 CA SER B 206 -7.948 9.190 -4.385 1.00 15.00 C ATOM 575 C SER B 206 -7.575 8.625 -3.019 1.00 15.00 C ATOM 576 O SER B 206 -6.453 8.160 -2.823 1.00 15.00 O ATOM 577 CB SER B 206 -7.947 8.071 -5.431 1.00 15.00 C ATOM 578 OG SER B 206 -8.244 8.575 -6.720 1.00 15.00 O ATOM 0 HA SER B 206 -8.947 9.622 -4.327 1.00 15.00 H new ATOM 0 HB2 SER B 206 -6.973 7.583 -5.444 1.00 15.00 H new ATOM 0 HB3 SER B 206 -8.680 7.312 -5.157 1.00 15.00 H new ATOM 0 HG SER B 206 -7.873 9.477 -6.812 1.00 15.00 H new ATOM 586 N PRO B 207 -8.502 8.669 -2.050 1.00 15.00 N ATOM 587 CA PRO B 207 -8.278 8.095 -0.723 1.00 15.00 C ATOM 588 C PRO B 207 -8.175 6.573 -0.791 1.00 15.00 C ATOM 589 O PRO B 207 -9.094 5.907 -1.268 1.00 15.00 O ATOM 590 CB PRO B 207 -9.518 8.517 0.082 1.00 15.00 C ATOM 591 CG PRO B 207 -10.188 9.569 -0.737 1.00 15.00 C ATOM 592 CD PRO B 207 -9.836 9.272 -2.165 1.00 15.00 C ATOM 0 HA PRO B 207 -7.346 8.440 -0.276 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -10.182 7.670 0.252 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.237 8.903 1.062 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.268 9.549 -0.590 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -9.846 10.563 -0.450 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.551 8.589 -2.625 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -9.821 10.175 -2.775 1.00 15.00 H new ATOM 600 N PRO B 208 -7.051 6.004 -0.339 1.00 15.00 N ATOM 601 CA PRO B 208 -6.822 4.562 -0.395 1.00 15.00 C ATOM 602 C PRO B 208 -7.668 3.819 0.631 1.00 15.00 C ATOM 603 O PRO B 208 -7.883 4.314 1.742 1.00 15.00 O ATOM 604 CB PRO B 208 -5.325 4.416 -0.070 1.00 15.00 C ATOM 605 CG PRO B 208 -4.770 5.802 -0.084 1.00 15.00 C ATOM 606 CD PRO B 208 -5.914 6.701 0.271 1.00 15.00 C ATOM 0 HA PRO B 208 -7.095 4.139 -1.362 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.180 3.946 0.903 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.824 3.787 -0.806 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.955 5.904 0.632 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -4.366 6.052 -1.065 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -6.031 6.806 1.350 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.785 7.704 -0.135 1.00 15.00 H new ATOM 614 N PRO B 209 -8.147 2.615 0.270 1.00 15.00 N ATOM 615 CA PRO B 209 -8.967 1.775 1.149 1.00 15.00 C ATOM 616 C PRO B 209 -8.350 1.624 2.537 1.00 15.00 C ATOM 617 O PRO B 209 -7.135 1.455 2.667 1.00 15.00 O ATOM 618 CB PRO B 209 -9.002 0.415 0.429 1.00 15.00 C ATOM 619 CG PRO B 209 -8.010 0.516 -0.683 1.00 15.00 C ATOM 620 CD PRO B 209 -7.926 1.972 -1.028 1.00 15.00 C ATOM 0 HA PRO B 209 -9.955 2.205 1.315 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.743 -0.395 1.111 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.999 0.202 0.045 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -7.038 0.131 -0.375 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -8.328 -0.072 -1.544 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.956 2.234 -1.452 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -8.682 2.261 -1.759 1.00 15.00 H new ATOM 628 N PRO B 210 -9.186 1.693 3.587 1.00 15.00 N ATOM 629 CA PRO B 210 -8.733 1.581 4.975 1.00 15.00 C ATOM 630 C PRO B 210 -7.859 0.354 5.198 1.00 15.00 C ATOM 631 O PRO B 210 -8.232 -0.756 4.839 1.00 15.00 O ATOM 632 CB PRO B 210 -10.036 1.461 5.766 1.00 15.00 C ATOM 633 CG PRO B 210 -11.044 2.159 4.923 1.00 15.00 C ATOM 634 CD PRO B 210 -10.645 1.879 3.500 1.00 15.00 C ATOM 0 HA PRO B 210 -8.116 2.429 5.273 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.308 0.418 5.929 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -9.949 1.925 6.748 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.049 1.791 5.128 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.050 3.230 5.125 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -11.141 0.990 3.111 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.906 2.705 2.839 1.00 15.00 H new ATOM 642 N TYR B 211 -6.700 0.572 5.809 1.00 15.00 N ATOM 643 CA TYR B 211 -5.720 -0.486 6.053 1.00 15.00 C ATOM 644 C TYR B 211 -6.285 -1.606 6.946 1.00 15.00 C ATOM 645 O TYR B 211 -5.673 -2.667 7.092 1.00 15.00 O ATOM 646 CB TYR B 211 -4.461 0.155 6.665 1.00 15.00 C ATOM 647 CG TYR B 211 -3.524 -0.791 7.382 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.763 -1.729 6.695 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.396 -0.727 8.758 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.904 -2.579 7.371 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.543 -1.565 9.441 1.00 15.00 C ATOM 652 CZ TYR B 211 -1.796 -2.490 8.745 1.00 15.00 C ATOM 653 OH TYR B 211 -0.945 -3.329 9.425 1.00 15.00 O ATOM 0 H TYR B 211 -6.411 1.488 6.151 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.465 -0.966 5.109 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.906 0.653 5.870 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.774 0.928 7.367 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.843 -1.796 5.620 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -3.978 -0.003 9.309 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -1.322 -3.308 6.827 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.460 -1.498 10.516 1.00 15.00 H new ATOM 0 HH TYR B 211 -0.424 -3.857 8.784 1.00 15.00 H new ATOM 663 N SER B 212 -7.458 -1.375 7.523 1.00 15.00 N ATOM 664 CA SER B 212 -8.099 -2.367 8.367 1.00 15.00 C ATOM 665 C SER B 212 -8.471 -3.622 7.572 1.00 15.00 C ATOM 666 O SER B 212 -8.345 -4.739 8.074 1.00 15.00 O ATOM 667 CB SER B 212 -9.335 -1.766 9.035 1.00 15.00 C ATOM 668 OG SER B 212 -10.105 -1.026 8.102 1.00 15.00 O ATOM 0 H SER B 212 -7.983 -0.507 7.419 1.00 15.00 H new ATOM 0 HA SER B 212 -7.389 -2.666 9.138 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.944 -2.561 9.465 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.030 -1.118 9.857 1.00 15.00 H new ATOM 0 HG SER B 212 -10.892 -0.652 8.551 1.00 15.00 H new ATOM 674 N ARG B 213 -8.961 -3.439 6.347 1.00 15.00 N ATOM 675 CA ARG B 213 -9.273 -4.572 5.485 1.00 15.00 C ATOM 676 C ARG B 213 -9.108 -4.204 4.012 1.00 15.00 C ATOM 677 O ARG B 213 -9.061 -3.031 3.659 1.00 15.00 O ATOM 678 CB ARG B 213 -10.682 -5.094 5.730 1.00 15.00 C ATOM 679 CG ARG B 213 -10.802 -6.565 5.387 1.00 15.00 C ATOM 680 CD ARG B 213 -10.392 -7.447 6.555 1.00 15.00 C ATOM 681 NE ARG B 213 -11.229 -7.220 7.732 1.00 15.00 N ATOM 682 CZ ARG B 213 -11.928 -8.175 8.345 1.00 15.00 C ATOM 683 NH1 ARG B 213 -11.921 -9.420 7.881 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -12.648 -7.877 9.417 1.00 15.00 N ATOM 0 H ARG B 213 -9.148 -2.525 5.934 1.00 15.00 H new ATOM 0 HA ARG B 213 -8.566 -5.363 5.734 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.950 -4.941 6.775 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -11.391 -4.522 5.132 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -11.830 -6.790 5.103 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.176 -6.790 4.523 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -10.458 -8.494 6.259 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -9.350 -7.252 6.808 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.281 -6.273 8.107 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -11.378 -9.651 7.049 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -12.459 -10.145 8.357 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -12.666 -6.920 9.770 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -13.185 -8.605 9.889 1.00 15.00 H new ATOM 698 N TYR B 214 -9.065 -5.215 3.153 1.00 15.00 N ATOM 699 CA TYR B 214 -8.741 -5.012 1.749 1.00 15.00 C ATOM 700 C TYR B 214 -10.012 -4.787 0.944 1.00 15.00 C ATOM 701 O TYR B 214 -11.069 -5.323 1.271 1.00 15.00 O ATOM 702 CB TYR B 214 -7.996 -6.235 1.179 1.00 15.00 C ATOM 703 CG TYR B 214 -6.831 -6.728 2.018 1.00 15.00 C ATOM 704 CD1 TYR B 214 -6.461 -6.078 3.183 1.00 15.00 C ATOM 705 CD2 TYR B 214 -6.122 -7.863 1.653 1.00 15.00 C ATOM 706 CE1 TYR B 214 -5.431 -6.532 3.961 1.00 15.00 C ATOM 707 CE2 TYR B 214 -5.076 -8.328 2.428 1.00 15.00 C ATOM 708 CZ TYR B 214 -4.735 -7.656 3.583 1.00 15.00 C ATOM 709 OH TYR B 214 -3.697 -8.109 4.363 1.00 15.00 O ATOM 0 H TYR B 214 -9.251 -6.185 3.406 1.00 15.00 H new ATOM 0 HA TYR B 214 -8.099 -4.135 1.675 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.708 -7.051 1.059 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.627 -5.985 0.184 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.998 -5.191 3.485 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.391 -8.391 0.750 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.166 -6.010 4.868 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.530 -9.211 2.131 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.310 -8.913 3.958 1.00 15.00 H new ATOM 719 N PRO B 215 -9.919 -4.018 -0.147 1.00 15.00 N ATOM 720 CA PRO B 215 -11.036 -3.829 -1.077 1.00 15.00 C ATOM 721 C PRO B 215 -11.316 -5.095 -1.888 1.00 15.00 C ATOM 722 O PRO B 215 -12.183 -5.115 -2.762 1.00 15.00 O ATOM 723 CB PRO B 215 -10.554 -2.699 -1.989 1.00 15.00 C ATOM 724 CG PRO B 215 -9.066 -2.783 -1.940 1.00 15.00 C ATOM 725 CD PRO B 215 -8.721 -3.261 -0.556 1.00 15.00 C ATOM 0 HA PRO B 215 -11.970 -3.601 -0.563 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -10.925 -2.825 -3.006 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -10.908 -1.729 -1.639 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -8.689 -3.472 -2.696 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -8.614 -1.812 -2.141 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.830 -3.889 -0.558 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.522 -2.428 0.119 1.00 15.00 H new