USER MOD reduce.3.24.130724 H: found=0, std=0, add=342, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 345 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 : no HD1:sc= -1.23 K(o=-2.4,f=-1.1) USER MOD Set 1.2: B 227 TYR OH : rot 110:sc= -1.2 USER MOD Set 2.1: A 238 GLN : amide:sc= -2.3! C(o=-2.3!,f=-2!) USER MOD Set 2.2: A 248 TYR OH : rot 1:sc= 0 USER MOD Single : A 240 MET CE :methyl 163:sc= -0.128 (180deg=-0.635) USER MOD Single : A 241 THR OG1 : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= -2.4! C(o=-2.4!,f=-3.4!) USER MOD Single : A 247 TYR OH : rot 116:sc= -2.76! USER MOD Single : A 250 ASN : amide:sc= -0.629 K(o=-0.63,f=-10!) USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 253 ASN : amide:sc= -1.2 K(o=-1.2,f=0) USER MOD Single : A 254 LYS NZ :NH3+ -161:sc= -0.114 (180deg=-0.544) USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.515 USER MOD Single : A 256 THR OG1 : rot -129:sc=-0.00499 USER MOD Single : A 257 SER OG : rot -103:sc=0.000274 USER MOD Single : B 222 THR OG1 : rot 29:sc= 0.175 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 231 7.805 5.467 6.844 1.00 15.00 N ATOM 9 CA PRO A 231 7.765 6.835 6.377 1.00 15.00 C ATOM 10 C PRO A 231 7.502 6.869 4.878 1.00 15.00 C ATOM 11 O PRO A 231 8.390 6.560 4.083 1.00 15.00 O ATOM 12 CB PRO A 231 9.191 7.313 6.690 1.00 15.00 C ATOM 13 CG PRO A 231 10.022 6.054 6.813 1.00 15.00 C ATOM 14 CD PRO A 231 9.102 4.894 6.505 1.00 15.00 C ATOM 0 HA PRO A 231 6.985 7.445 6.833 1.00 15.00 H new ATOM 0 HB2 PRO A 231 9.571 7.958 5.898 1.00 15.00 H new ATOM 0 HB3 PRO A 231 9.217 7.892 7.613 1.00 15.00 H new ATOM 0 HG2 PRO A 231 10.863 6.076 6.119 1.00 15.00 H new ATOM 0 HG3 PRO A 231 10.439 5.962 7.816 1.00 15.00 H new ATOM 0 HD2 PRO A 231 9.158 4.590 5.460 1.00 15.00 H new ATOM 0 HD3 PRO A 231 9.333 4.014 7.105 1.00 15.00 H new ATOM 22 N LEU A 232 6.281 7.185 4.474 1.00 15.00 N ATOM 23 CA LEU A 232 5.922 6.963 3.085 1.00 15.00 C ATOM 24 C LEU A 232 6.329 8.142 2.238 1.00 15.00 C ATOM 25 O LEU A 232 6.512 9.246 2.750 1.00 15.00 O ATOM 26 CB LEU A 232 4.433 6.657 2.846 1.00 15.00 C ATOM 27 CG LEU A 232 3.796 5.542 3.695 1.00 15.00 C ATOM 28 CD1 LEU A 232 4.799 4.780 4.549 1.00 15.00 C ATOM 29 CD2 LEU A 232 2.692 6.092 4.566 1.00 15.00 C ATOM 0 H LEU A 232 5.548 7.581 5.063 1.00 15.00 H new ATOM 0 HA LEU A 232 6.470 6.067 2.793 1.00 15.00 H new ATOM 0 HB2 LEU A 232 3.869 7.574 3.016 1.00 15.00 H new ATOM 0 HB3 LEU A 232 4.307 6.395 1.796 1.00 15.00 H new ATOM 0 HG LEU A 232 3.381 4.828 2.983 1.00 15.00 H new ATOM 0 HD11 LEU A 232 4.280 4.010 5.120 1.00 15.00 H new ATOM 0 HD12 LEU A 232 5.545 4.313 3.905 1.00 15.00 H new ATOM 0 HD13 LEU A 232 5.292 5.470 5.234 1.00 15.00 H new ATOM 0 HD21 LEU A 232 2.258 5.285 5.156 1.00 15.00 H new ATOM 0 HD22 LEU A 232 3.099 6.851 5.234 1.00 15.00 H new ATOM 0 HD23 LEU A 232 1.921 6.538 3.938 1.00 15.00 H new ATOM 41 N PRO A 233 6.441 7.931 0.923 1.00 15.00 N ATOM 42 CA PRO A 233 6.949 8.953 0.011 1.00 15.00 C ATOM 43 C PRO A 233 6.055 10.189 -0.008 1.00 15.00 C ATOM 44 O PRO A 233 6.479 11.290 0.341 1.00 15.00 O ATOM 45 CB PRO A 233 6.911 8.242 -1.342 1.00 15.00 C ATOM 46 CG PRO A 233 6.904 6.780 -1.020 1.00 15.00 C ATOM 47 CD PRO A 233 6.043 6.704 0.194 1.00 15.00 C ATOM 0 HA PRO A 233 7.937 9.318 0.292 1.00 15.00 H new ATOM 0 HB2 PRO A 233 6.024 8.524 -1.910 1.00 15.00 H new ATOM 0 HB3 PRO A 233 7.776 8.507 -1.950 1.00 15.00 H new ATOM 0 HG2 PRO A 233 6.497 6.189 -1.840 1.00 15.00 H new ATOM 0 HG3 PRO A 233 7.909 6.406 -0.825 1.00 15.00 H new ATOM 0 HD2 PRO A 233 4.982 6.703 -0.056 1.00 15.00 H new ATOM 0 HD3 PRO A 233 6.234 5.802 0.776 1.00 15.00 H new ATOM 55 N ASP A 234 4.802 9.982 -0.384 1.00 15.00 N ATOM 56 CA ASP A 234 3.818 11.052 -0.458 1.00 15.00 C ATOM 57 C ASP A 234 2.984 11.063 0.812 1.00 15.00 C ATOM 58 O ASP A 234 2.189 11.969 1.045 1.00 15.00 O ATOM 59 CB ASP A 234 2.902 10.863 -1.668 1.00 15.00 C ATOM 60 CG ASP A 234 3.663 10.563 -2.942 1.00 15.00 C ATOM 61 OD1 ASP A 234 4.016 9.382 -3.157 1.00 15.00 O ATOM 62 OD2 ASP A 234 3.901 11.495 -3.735 1.00 15.00 O1- ATOM 0 H ASP A 234 4.438 9.066 -0.647 1.00 15.00 H new ATOM 0 HA ASP A 234 4.344 12.001 -0.564 1.00 15.00 H new ATOM 0 HB2 ASP A 234 2.206 10.049 -1.467 1.00 15.00 H new ATOM 0 HB3 ASP A 234 2.306 11.764 -1.810 1.00 15.00 H new ATOM 67 N GLY A 235 3.156 10.020 1.614 1.00 15.00 N ATOM 68 CA GLY A 235 2.299 9.805 2.760 1.00 15.00 C ATOM 69 C GLY A 235 1.101 8.959 2.389 1.00 15.00 C ATOM 70 O GLY A 235 -0.046 9.399 2.482 1.00 15.00 O ATOM 0 H GLY A 235 3.881 9.314 1.488 1.00 15.00 H new ATOM 0 HA2 GLY A 235 2.863 9.315 3.554 1.00 15.00 H new ATOM 0 HA3 GLY A 235 1.963 10.765 3.153 1.00 15.00 H new ATOM 74 N TRP A 236 1.374 7.741 1.946 1.00 15.00 N ATOM 75 CA TRP A 236 0.335 6.841 1.477 1.00 15.00 C ATOM 76 C TRP A 236 0.472 5.466 2.089 1.00 15.00 C ATOM 77 O TRP A 236 1.571 4.969 2.240 1.00 15.00 O ATOM 78 CB TRP A 236 0.329 6.771 -0.027 1.00 15.00 C ATOM 79 CG TRP A 236 1.638 6.519 -0.727 1.00 15.00 C ATOM 80 CD1 TRP A 236 2.729 7.350 -0.862 1.00 15.00 C ATOM 81 CD2 TRP A 236 1.956 5.350 -1.481 1.00 15.00 C ATOM 82 NE1 TRP A 236 3.589 6.811 -1.759 1.00 15.00 N ATOM 83 CE2 TRP A 236 3.171 5.577 -2.116 1.00 15.00 C ATOM 84 CE3 TRP A 236 1.325 4.146 -1.710 1.00 15.00 C ATOM 85 CZ2 TRP A 236 3.754 4.648 -2.965 1.00 15.00 C ATOM 86 CZ3 TRP A 236 1.932 3.239 -2.556 1.00 15.00 C ATOM 87 CH2 TRP A 236 3.119 3.489 -3.166 1.00 15.00 C ATOM 0 H TRP A 236 2.316 7.352 1.902 1.00 15.00 H new ATOM 0 HA TRP A 236 -0.625 7.244 1.801 1.00 15.00 H new ATOM 0 HB2 TRP A 236 -0.365 5.984 -0.322 1.00 15.00 H new ATOM 0 HB3 TRP A 236 -0.076 7.710 -0.404 1.00 15.00 H new ATOM 0 HD1 TRP A 236 2.875 8.282 -0.337 1.00 15.00 H new ATOM 0 HE1 TRP A 236 4.429 7.269 -2.113 1.00 15.00 H new ATOM 0 HE3 TRP A 236 0.380 3.918 -1.240 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 4.696 4.855 -3.451 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 1.443 2.294 -2.740 1.00 15.00 H new ATOM 0 HH2 TRP A 236 3.553 2.746 -3.818 1.00 15.00 H new ATOM 98 N GLU A 237 -0.636 4.771 2.259 1.00 15.00 N ATOM 99 CA GLU A 237 -0.783 3.899 3.407 1.00 15.00 C ATOM 100 C GLU A 237 -0.271 2.512 3.172 1.00 15.00 C ATOM 101 O GLU A 237 -0.519 1.865 2.153 1.00 15.00 O ATOM 102 CB GLU A 237 -2.256 3.836 3.805 1.00 15.00 C ATOM 103 CG GLU A 237 -2.614 2.857 4.922 1.00 15.00 C ATOM 104 CD GLU A 237 -1.967 3.240 6.235 1.00 15.00 C ATOM 105 OE1 GLU A 237 -2.525 4.109 6.941 1.00 15.00 O ATOM 106 OE2 GLU A 237 -0.886 2.712 6.552 1.00 15.00 O1- ATOM 0 H GLU A 237 -1.436 4.792 1.627 1.00 15.00 H new ATOM 0 HA GLU A 237 -0.177 4.324 4.207 1.00 15.00 H new ATOM 0 HB2 GLU A 237 -2.571 4.834 4.111 1.00 15.00 H new ATOM 0 HB3 GLU A 237 -2.838 3.575 2.921 1.00 15.00 H new ATOM 0 HG2 GLU A 237 -3.697 2.827 5.046 1.00 15.00 H new ATOM 0 HG3 GLU A 237 -2.297 1.853 4.640 1.00 15.00 H new ATOM 113 N GLN A 238 0.428 2.099 4.202 1.00 15.00 N ATOM 114 CA GLN A 238 1.069 0.805 4.284 1.00 15.00 C ATOM 115 C GLN A 238 0.238 -0.056 5.202 1.00 15.00 C ATOM 116 O GLN A 238 0.411 -0.050 6.423 1.00 15.00 O ATOM 117 CB GLN A 238 2.498 0.928 4.823 1.00 15.00 C ATOM 118 CG GLN A 238 3.214 -0.399 5.010 1.00 15.00 C ATOM 119 CD GLN A 238 4.381 -0.294 5.976 1.00 15.00 C ATOM 120 OE1 GLN A 238 5.392 -0.978 5.826 1.00 15.00 O ATOM 121 NE2 GLN A 238 4.242 0.546 6.992 1.00 15.00 N ATOM 0 H GLN A 238 0.572 2.672 5.034 1.00 15.00 H new ATOM 0 HA GLN A 238 1.137 0.361 3.291 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.079 1.547 4.140 1.00 15.00 H new ATOM 0 HB3 GLN A 238 2.469 1.449 5.780 1.00 15.00 H new ATOM 0 HG2 GLN A 238 2.507 -1.142 5.378 1.00 15.00 H new ATOM 0 HG3 GLN A 238 3.575 -0.753 4.045 1.00 15.00 H new ATOM 0 HE21 GLN A 238 3.389 1.098 7.085 1.00 15.00 H new ATOM 0 HE22 GLN A 238 4.988 0.641 7.681 1.00 15.00 H new ATOM 130 N ALA A 239 -0.705 -0.746 4.617 1.00 15.00 N ATOM 131 CA ALA A 239 -1.681 -1.471 5.384 1.00 15.00 C ATOM 132 C ALA A 239 -1.370 -2.948 5.369 1.00 15.00 C ATOM 133 O ALA A 239 -0.841 -3.473 4.387 1.00 15.00 O ATOM 134 CB ALA A 239 -3.068 -1.195 4.843 1.00 15.00 C ATOM 0 H ALA A 239 -0.817 -0.821 3.606 1.00 15.00 H new ATOM 0 HA ALA A 239 -1.645 -1.135 6.420 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.803 -1.747 5.428 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -3.279 -0.128 4.909 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -3.122 -1.511 3.801 1.00 15.00 H new ATOM 140 N MET A 240 -1.690 -3.615 6.458 1.00 15.00 N ATOM 141 CA MET A 240 -1.418 -5.025 6.572 1.00 15.00 C ATOM 142 C MET A 240 -2.599 -5.822 6.057 1.00 15.00 C ATOM 143 O MET A 240 -3.668 -5.831 6.658 1.00 15.00 O ATOM 144 CB MET A 240 -1.100 -5.404 8.022 1.00 15.00 C ATOM 145 CG MET A 240 0.177 -4.764 8.543 1.00 15.00 C ATOM 146 SD MET A 240 0.538 -5.203 10.255 1.00 15.00 S ATOM 147 CE MET A 240 0.697 -6.984 10.127 1.00 15.00 C ATOM 0 H MET A 240 -2.139 -3.200 7.275 1.00 15.00 H new ATOM 0 HA MET A 240 -0.543 -5.261 5.966 1.00 15.00 H new ATOM 0 HB2 MET A 240 -1.933 -5.108 8.659 1.00 15.00 H new ATOM 0 HB3 MET A 240 -1.012 -6.488 8.096 1.00 15.00 H new ATOM 0 HG2 MET A 240 1.012 -5.067 7.912 1.00 15.00 H new ATOM 0 HG3 MET A 240 0.093 -3.680 8.462 1.00 15.00 H new ATOM 0 HE1 MET A 240 1.207 -7.368 11.011 1.00 15.00 H new ATOM 0 HE2 MET A 240 -0.293 -7.433 10.055 1.00 15.00 H new ATOM 0 HE3 MET A 240 1.275 -7.235 9.237 1.00 15.00 H new ATOM 157 N THR A 241 -2.402 -6.466 4.927 1.00 15.00 N ATOM 158 CA THR A 241 -3.419 -7.322 4.359 1.00 15.00 C ATOM 159 C THR A 241 -3.232 -8.724 4.908 1.00 15.00 C ATOM 160 O THR A 241 -2.110 -9.114 5.235 1.00 15.00 O ATOM 161 CB THR A 241 -3.396 -7.321 2.811 1.00 15.00 C ATOM 162 OG1 THR A 241 -4.324 -8.285 2.294 1.00 15.00 O ATOM 163 CG2 THR A 241 -2.008 -7.616 2.268 1.00 15.00 C ATOM 0 H THR A 241 -1.542 -6.412 4.382 1.00 15.00 H new ATOM 0 HA THR A 241 -4.398 -6.937 4.644 1.00 15.00 H new ATOM 0 HB THR A 241 -3.686 -6.322 2.486 1.00 15.00 H new ATOM 0 HG1 THR A 241 -4.299 -8.271 1.314 1.00 15.00 H new ATOM 0 HG21 THR A 241 -2.034 -7.606 1.178 1.00 15.00 H new ATOM 0 HG22 THR A 241 -1.310 -6.857 2.621 1.00 15.00 H new ATOM 0 HG23 THR A 241 -1.683 -8.597 2.614 1.00 15.00 H new ATOM 171 N GLN A 242 -4.332 -9.461 5.013 1.00 15.00 N ATOM 172 CA GLN A 242 -4.387 -10.729 5.743 1.00 15.00 C ATOM 173 C GLN A 242 -3.406 -11.731 5.162 1.00 15.00 C ATOM 174 O GLN A 242 -2.945 -12.651 5.839 1.00 15.00 O ATOM 175 CB GLN A 242 -5.780 -11.345 5.637 1.00 15.00 C ATOM 176 CG GLN A 242 -6.944 -10.486 6.111 1.00 15.00 C ATOM 177 CD GLN A 242 -7.131 -9.178 5.353 1.00 15.00 C ATOM 178 OE1 GLN A 242 -7.749 -9.150 4.290 1.00 15.00 O ATOM 179 NE2 GLN A 242 -6.657 -8.075 5.915 1.00 15.00 N ATOM 0 H GLN A 242 -5.222 -9.195 4.591 1.00 15.00 H new ATOM 0 HA GLN A 242 -4.137 -10.513 6.782 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -5.956 -11.612 4.595 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -5.786 -12.273 6.209 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -7.862 -11.069 6.031 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -6.801 -10.259 7.167 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -6.148 -8.130 6.797 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -6.801 -7.171 5.465 1.00 15.00 H new ATOM 188 N ASP A 243 -3.133 -11.547 3.889 1.00 15.00 N ATOM 189 CA ASP A 243 -2.128 -12.339 3.163 1.00 15.00 C ATOM 190 C ASP A 243 -0.742 -12.186 3.798 1.00 15.00 C ATOM 191 O ASP A 243 0.179 -12.962 3.538 1.00 15.00 O ATOM 192 CB ASP A 243 -2.063 -11.867 1.718 1.00 15.00 C ATOM 193 CG ASP A 243 -1.397 -12.872 0.795 1.00 15.00 C ATOM 194 OD1 ASP A 243 -0.156 -12.850 0.662 1.00 15.00 O1- ATOM 195 OD2 ASP A 243 -2.125 -13.687 0.183 1.00 15.00 O ATOM 0 H ASP A 243 -3.597 -10.844 3.313 1.00 15.00 H new ATOM 0 HA ASP A 243 -2.420 -13.388 3.209 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -3.073 -11.668 1.361 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -1.518 -10.924 1.674 1.00 15.00 H new ATOM 200 N GLY A 244 -0.612 -11.157 4.613 1.00 15.00 N ATOM 201 CA GLY A 244 0.608 -10.916 5.359 1.00 15.00 C ATOM 202 C GLY A 244 1.582 -10.038 4.607 1.00 15.00 C ATOM 203 O GLY A 244 2.782 -10.298 4.599 1.00 15.00 O ATOM 0 H GLY A 244 -1.346 -10.467 4.776 1.00 15.00 H new ATOM 0 HA2 GLY A 244 0.361 -10.447 6.311 1.00 15.00 H new ATOM 0 HA3 GLY A 244 1.085 -11.869 5.588 1.00 15.00 H new ATOM 207 N GLU A 245 1.060 -8.987 3.989 1.00 15.00 N ATOM 208 CA GLU A 245 1.891 -8.039 3.246 1.00 15.00 C ATOM 209 C GLU A 245 1.601 -6.621 3.713 1.00 15.00 C ATOM 210 O GLU A 245 0.438 -6.257 3.915 1.00 15.00 O ATOM 211 CB GLU A 245 1.616 -8.126 1.740 1.00 15.00 C ATOM 212 CG GLU A 245 1.801 -9.513 1.141 1.00 15.00 C ATOM 213 CD GLU A 245 3.249 -9.939 1.038 1.00 15.00 C ATOM 214 OE1 GLU A 245 3.935 -9.508 0.090 1.00 15.00 O ATOM 215 OE2 GLU A 245 3.702 -10.740 1.880 1.00 15.00 O1- ATOM 0 H GLU A 245 0.064 -8.766 3.985 1.00 15.00 H new ATOM 0 HA GLU A 245 2.935 -8.292 3.432 1.00 15.00 H new ATOM 0 HB2 GLU A 245 0.594 -7.796 1.551 1.00 15.00 H new ATOM 0 HB3 GLU A 245 2.276 -7.430 1.223 1.00 15.00 H new ATOM 0 HG2 GLU A 245 1.260 -10.238 1.749 1.00 15.00 H new ATOM 0 HG3 GLU A 245 1.353 -9.533 0.147 1.00 15.00 H new ATOM 222 N ILE A 246 2.645 -5.824 3.869 1.00 15.00 N ATOM 223 CA ILE A 246 2.480 -4.416 4.193 1.00 15.00 C ATOM 224 C ILE A 246 2.438 -3.600 2.900 1.00 15.00 C ATOM 225 O ILE A 246 3.458 -3.139 2.394 1.00 15.00 O ATOM 226 CB ILE A 246 3.600 -3.913 5.141 1.00 15.00 C ATOM 227 CG1 ILE A 246 4.990 -4.091 4.502 1.00 15.00 C ATOM 228 CG2 ILE A 246 3.514 -4.641 6.477 1.00 15.00 C ATOM 229 CD1 ILE A 246 6.140 -4.090 5.490 1.00 15.00 C ATOM 0 H ILE A 246 3.615 -6.127 3.777 1.00 15.00 H new ATOM 0 HA ILE A 246 1.538 -4.287 4.726 1.00 15.00 H new ATOM 0 HB ILE A 246 3.456 -2.847 5.315 1.00 15.00 H new ATOM 0 HG12 ILE A 246 5.004 -5.030 3.948 1.00 15.00 H new ATOM 0 HG13 ILE A 246 5.148 -3.292 3.778 1.00 15.00 H new ATOM 0 HG21 ILE A 246 4.303 -4.283 7.138 1.00 15.00 H new ATOM 0 HG22 ILE A 246 2.543 -4.449 6.934 1.00 15.00 H new ATOM 0 HG23 ILE A 246 3.634 -5.712 6.316 1.00 15.00 H new ATOM 0 HD11 ILE A 246 7.080 -4.221 4.954 1.00 15.00 H new ATOM 0 HD12 ILE A 246 6.157 -3.142 6.027 1.00 15.00 H new ATOM 0 HD13 ILE A 246 6.011 -4.907 6.200 1.00 15.00 H new ATOM 241 N TYR A 247 1.243 -3.420 2.367 1.00 15.00 N ATOM 242 CA TYR A 247 1.100 -2.881 1.024 1.00 15.00 C ATOM 243 C TYR A 247 1.016 -1.360 1.060 1.00 15.00 C ATOM 244 O TYR A 247 0.523 -0.777 2.019 1.00 15.00 O ATOM 245 CB TYR A 247 -0.136 -3.484 0.311 1.00 15.00 C ATOM 246 CG TYR A 247 -1.470 -2.903 0.751 1.00 15.00 C ATOM 247 CD1 TYR A 247 -1.767 -1.570 0.521 1.00 15.00 C ATOM 248 CD2 TYR A 247 -2.422 -3.682 1.394 1.00 15.00 C ATOM 249 CE1 TYR A 247 -2.945 -1.016 0.918 1.00 15.00 C ATOM 250 CE2 TYR A 247 -3.629 -3.136 1.803 1.00 15.00 C ATOM 251 CZ TYR A 247 -3.884 -1.793 1.563 1.00 15.00 C ATOM 252 OH TYR A 247 -5.075 -1.229 1.962 1.00 15.00 O ATOM 0 H TYR A 247 0.364 -3.636 2.837 1.00 15.00 H new ATOM 0 HA TYR A 247 1.985 -3.161 0.453 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -0.027 -3.335 -0.763 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -0.149 -4.560 0.484 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -1.042 -0.952 0.012 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -2.220 -4.727 1.578 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -3.144 0.029 0.729 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.363 -3.750 2.303 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.815 -1.649 1.476 1.00 15.00 H new ATOM 262 N TYR A 248 1.485 -0.745 -0.002 1.00 15.00 N ATOM 263 CA TYR A 248 1.425 0.694 -0.192 1.00 15.00 C ATOM 264 C TYR A 248 0.404 1.052 -1.268 1.00 15.00 C ATOM 265 O TYR A 248 0.539 0.641 -2.416 1.00 15.00 O ATOM 266 CB TYR A 248 2.816 1.187 -0.532 1.00 15.00 C ATOM 267 CG TYR A 248 3.696 1.301 0.689 1.00 15.00 C ATOM 268 CD1 TYR A 248 4.311 0.176 1.244 1.00 15.00 C ATOM 269 CD2 TYR A 248 3.939 2.541 1.282 1.00 15.00 C ATOM 270 CE1 TYR A 248 5.129 0.290 2.346 1.00 15.00 C ATOM 271 CE2 TYR A 248 4.764 2.650 2.370 1.00 15.00 C ATOM 272 CZ TYR A 248 5.357 1.527 2.902 1.00 15.00 C ATOM 273 OH TYR A 248 6.185 1.640 3.996 1.00 15.00 O ATOM 0 H TYR A 248 1.929 -1.238 -0.777 1.00 15.00 H new ATOM 0 HA TYR A 248 1.092 1.186 0.722 1.00 15.00 H new ATOM 0 HB2 TYR A 248 3.276 0.505 -1.247 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.746 2.160 -1.019 1.00 15.00 H new ATOM 0 HD1 TYR A 248 4.143 -0.795 0.803 1.00 15.00 H new ATOM 0 HD2 TYR A 248 3.470 3.426 0.878 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.590 -0.589 2.772 1.00 15.00 H new ATOM 0 HE2 TYR A 248 4.950 3.618 2.811 1.00 15.00 H new ATOM 0 HH TYR A 248 6.529 0.755 4.239 1.00 15.00 H new ATOM 283 N ILE A 249 -0.638 1.796 -0.889 1.00 15.00 N ATOM 284 CA ILE A 249 -1.586 2.343 -1.868 1.00 15.00 C ATOM 285 C ILE A 249 -1.697 3.850 -1.728 1.00 15.00 C ATOM 286 O ILE A 249 -1.799 4.381 -0.619 1.00 15.00 O ATOM 287 CB ILE A 249 -3.005 1.750 -1.764 1.00 15.00 C ATOM 288 CG1 ILE A 249 -3.585 1.950 -0.360 1.00 15.00 C ATOM 289 CG2 ILE A 249 -3.013 0.288 -2.169 1.00 15.00 C ATOM 290 CD1 ILE A 249 -4.901 1.242 -0.149 1.00 15.00 C ATOM 0 H ILE A 249 -0.847 2.033 0.081 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.177 2.066 -2.839 1.00 15.00 H new ATOM 0 HB ILE A 249 -3.648 2.287 -2.461 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -2.866 1.592 0.377 1.00 15.00 H new ATOM 0 HG13 ILE A 249 -3.721 3.016 -0.180 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -4.026 -0.107 -2.087 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -2.669 0.194 -3.199 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.350 -0.275 -1.512 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -5.255 1.426 0.866 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -5.635 1.617 -0.863 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -4.766 0.171 -0.297 1.00 15.00 H new ATOM 302 N ASN A 250 -1.671 4.540 -2.852 1.00 15.00 N ATOM 303 CA ASN A 250 -1.744 5.991 -2.852 1.00 15.00 C ATOM 304 C ASN A 250 -2.947 6.446 -3.656 1.00 15.00 C ATOM 305 O ASN A 250 -3.168 5.965 -4.770 1.00 15.00 O ATOM 306 CB ASN A 250 -0.471 6.590 -3.455 1.00 15.00 C ATOM 307 CG ASN A 250 -0.302 8.074 -3.152 1.00 15.00 C ATOM 308 OD1 ASN A 250 -1.267 8.791 -2.905 1.00 15.00 O ATOM 309 ND2 ASN A 250 0.932 8.548 -3.191 1.00 15.00 N ATOM 0 H ASN A 250 -1.600 4.120 -3.779 1.00 15.00 H new ATOM 0 HA ASN A 250 -1.843 6.334 -1.822 1.00 15.00 H new ATOM 0 HB2 ASN A 250 0.394 6.047 -3.073 1.00 15.00 H new ATOM 0 HB3 ASN A 250 -0.486 6.446 -4.535 1.00 15.00 H new ATOM 0 HD21 ASN A 250 1.104 9.537 -3.013 1.00 15.00 H new ATOM 0 HD22 ASN A 250 1.712 7.924 -3.399 1.00 15.00 H new ATOM 316 N HIS A 251 -3.703 7.382 -3.087 1.00 15.00 N ATOM 317 CA HIS A 251 -4.851 7.983 -3.762 1.00 15.00 C ATOM 318 C HIS A 251 -4.406 9.010 -4.795 1.00 15.00 C ATOM 319 O HIS A 251 -5.178 9.404 -5.665 1.00 15.00 O ATOM 320 CB HIS A 251 -5.797 8.629 -2.740 1.00 15.00 C ATOM 321 CG HIS A 251 -6.701 7.650 -2.044 1.00 15.00 C ATOM 322 ND1 HIS A 251 -6.259 6.724 -1.124 1.00 15.00 N ATOM 323 CD2 HIS A 251 -8.033 7.451 -2.157 1.00 15.00 C ATOM 324 CE1 HIS A 251 -7.283 5.999 -0.706 1.00 15.00 C ATOM 325 NE2 HIS A 251 -8.373 6.418 -1.319 1.00 15.00 N ATOM 0 H HIS A 251 -3.538 7.744 -2.148 1.00 15.00 H new ATOM 0 HA HIS A 251 -5.387 7.190 -4.283 1.00 15.00 H new ATOM 0 HB2 HIS A 251 -5.204 9.156 -1.993 1.00 15.00 H new ATOM 0 HB3 HIS A 251 -6.408 9.376 -3.246 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -8.708 8.005 -2.792 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -7.235 5.198 0.017 1.00 15.00 H new ATOM 0 HE2 HIS A 251 -9.311 6.038 -1.192 1.00 15.00 H new ATOM 334 N LYS A 252 -3.159 9.445 -4.692 1.00 15.00 N ATOM 335 CA LYS A 252 -2.598 10.374 -5.659 1.00 15.00 C ATOM 336 C LYS A 252 -1.814 9.613 -6.723 1.00 15.00 C ATOM 337 O LYS A 252 -1.704 10.050 -7.866 1.00 15.00 O ATOM 338 CB LYS A 252 -1.692 11.394 -4.963 1.00 15.00 C ATOM 339 CG LYS A 252 -1.437 12.646 -5.782 1.00 15.00 C ATOM 340 CD LYS A 252 -2.724 13.420 -6.004 1.00 15.00 C ATOM 341 CE LYS A 252 -2.493 14.680 -6.818 1.00 15.00 C ATOM 342 NZ LYS A 252 -3.751 15.450 -6.997 1.00 15.00 N1+ ATOM 0 H LYS A 252 -2.517 9.169 -3.949 1.00 15.00 H new ATOM 0 HA LYS A 252 -3.416 10.911 -6.139 1.00 15.00 H new ATOM 0 HB2 LYS A 252 -2.144 11.678 -4.013 1.00 15.00 H new ATOM 0 HB3 LYS A 252 -0.737 10.921 -4.733 1.00 15.00 H new ATOM 0 HG2 LYS A 252 -0.711 13.278 -5.271 1.00 15.00 H new ATOM 0 HG3 LYS A 252 -1.001 12.374 -6.743 1.00 15.00 H new ATOM 0 HD2 LYS A 252 -3.446 12.784 -6.516 1.00 15.00 H new ATOM 0 HD3 LYS A 252 -3.159 13.685 -5.040 1.00 15.00 H new ATOM 0 HE2 LYS A 252 -1.750 15.304 -6.321 1.00 15.00 H new ATOM 0 HE3 LYS A 252 -2.085 14.415 -7.794 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 -3.558 16.305 -7.557 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 -4.451 14.862 -7.493 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 -4.126 15.724 -6.066 1.00 15.00 H new ATOM 356 N ASN A 253 -1.247 8.476 -6.328 1.00 15.00 N ATOM 357 CA ASN A 253 -0.523 7.616 -7.263 1.00 15.00 C ATOM 358 C ASN A 253 -1.489 6.666 -7.955 1.00 15.00 C ATOM 359 O ASN A 253 -1.183 6.114 -9.015 1.00 15.00 O ATOM 360 CB ASN A 253 0.574 6.808 -6.550 1.00 15.00 C ATOM 361 CG ASN A 253 1.830 7.612 -6.244 1.00 15.00 C ATOM 362 OD1 ASN A 253 2.910 7.049 -6.091 1.00 15.00 O ATOM 363 ND2 ASN A 253 1.706 8.928 -6.169 1.00 15.00 N ATOM 0 H ASN A 253 -1.274 8.128 -5.369 1.00 15.00 H new ATOM 0 HA ASN A 253 -0.047 8.258 -8.004 1.00 15.00 H new ATOM 0 HB2 ASN A 253 0.172 6.411 -5.618 1.00 15.00 H new ATOM 0 HB3 ASN A 253 0.843 5.953 -7.170 1.00 15.00 H new ATOM 0 HD21 ASN A 253 2.524 9.507 -5.979 1.00 15.00 H new ATOM 0 HD22 ASN A 253 0.793 9.363 -6.301 1.00 15.00 H new ATOM 370 N LYS A 254 -2.646 6.466 -7.318 1.00 15.00 N ATOM 371 CA LYS A 254 -3.710 5.617 -7.849 1.00 15.00 C ATOM 372 C LYS A 254 -3.198 4.186 -8.056 1.00 15.00 C ATOM 373 O LYS A 254 -3.592 3.496 -8.995 1.00 15.00 O ATOM 374 CB LYS A 254 -4.234 6.225 -9.161 1.00 15.00 C ATOM 375 CG LYS A 254 -5.472 5.544 -9.720 1.00 15.00 C ATOM 376 CD LYS A 254 -5.974 6.241 -10.973 1.00 15.00 C ATOM 377 CE LYS A 254 -7.108 5.467 -11.623 1.00 15.00 C ATOM 378 NZ LYS A 254 -6.701 4.081 -11.971 1.00 15.00 N1+ ATOM 0 H LYS A 254 -2.869 6.890 -6.418 1.00 15.00 H new ATOM 0 HA LYS A 254 -4.533 5.567 -7.136 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -4.458 7.279 -8.995 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -3.442 6.182 -9.909 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -5.244 4.503 -9.948 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -6.258 5.540 -8.965 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -6.315 7.245 -10.720 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -5.154 6.352 -11.682 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -7.962 5.436 -10.946 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -7.434 5.987 -12.524 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -7.356 3.694 -12.680 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -5.736 4.090 -12.359 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -6.725 3.487 -11.117 1.00 15.00 H new ATOM 392 N THR A 255 -2.354 3.716 -7.146 1.00 15.00 N ATOM 393 CA THR A 255 -1.708 2.419 -7.346 1.00 15.00 C ATOM 394 C THR A 255 -1.377 1.673 -6.092 1.00 15.00 C ATOM 395 O THR A 255 -1.161 2.233 -5.014 1.00 15.00 O ATOM 396 CB THR A 255 -0.455 2.431 -8.231 1.00 15.00 C ATOM 397 OG1 THR A 255 0.135 1.126 -8.298 1.00 15.00 O ATOM 398 CG2 THR A 255 0.591 3.426 -7.740 1.00 15.00 C ATOM 0 H THR A 255 -2.103 4.197 -6.282 1.00 15.00 H new ATOM 0 HA THR A 255 -2.502 1.892 -7.876 1.00 15.00 H new ATOM 0 HB THR A 255 -0.782 2.740 -9.224 1.00 15.00 H new ATOM 0 HG1 THR A 255 0.931 1.156 -8.869 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.459 3.397 -8.399 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.167 4.430 -7.742 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.896 3.163 -6.727 1.00 15.00 H new ATOM 406 N THR A 256 -1.385 0.388 -6.300 1.00 15.00 N ATOM 407 CA THR A 256 -1.124 -0.594 -5.259 1.00 15.00 C ATOM 408 C THR A 256 0.243 -1.261 -5.468 1.00 15.00 C ATOM 409 O THR A 256 0.514 -1.840 -6.524 1.00 15.00 O ATOM 410 CB THR A 256 -2.202 -1.687 -5.230 1.00 15.00 C ATOM 411 OG1 THR A 256 -3.510 -1.095 -5.226 1.00 15.00 O ATOM 412 CG2 THR A 256 -2.025 -2.565 -3.998 1.00 15.00 C ATOM 0 H THR A 256 -1.576 -0.026 -7.212 1.00 15.00 H new ATOM 0 HA THR A 256 -1.134 -0.057 -4.310 1.00 15.00 H new ATOM 0 HB THR A 256 -2.098 -2.304 -6.123 1.00 15.00 H new ATOM 0 HG1 THR A 256 -4.041 -1.479 -4.497 1.00 15.00 H new ATOM 0 HG21 THR A 256 -2.795 -3.337 -3.988 1.00 15.00 H new ATOM 0 HG22 THR A 256 -1.041 -3.034 -4.024 1.00 15.00 H new ATOM 0 HG23 THR A 256 -2.112 -1.954 -3.100 1.00 15.00 H new ATOM 420 N SER A 257 1.090 -1.173 -4.455 1.00 15.00 N ATOM 421 CA SER A 257 2.414 -1.777 -4.475 1.00 15.00 C ATOM 422 C SER A 257 2.574 -2.702 -3.267 1.00 15.00 C ATOM 423 O SER A 257 2.096 -2.383 -2.179 1.00 15.00 O ATOM 424 CB SER A 257 3.475 -0.668 -4.448 1.00 15.00 C ATOM 425 OG SER A 257 4.791 -1.199 -4.463 1.00 15.00 O ATOM 0 H SER A 257 0.877 -0.677 -3.589 1.00 15.00 H new ATOM 0 HA SER A 257 2.540 -2.366 -5.383 1.00 15.00 H new ATOM 0 HB2 SER A 257 3.338 -0.012 -5.308 1.00 15.00 H new ATOM 0 HB3 SER A 257 3.340 -0.057 -3.556 1.00 15.00 H new ATOM 0 HG SER A 257 5.175 -1.146 -3.563 1.00 15.00 H new ATOM 431 N TRP A 258 3.248 -3.836 -3.453 1.00 15.00 N ATOM 432 CA TRP A 258 3.453 -4.795 -2.363 1.00 15.00 C ATOM 433 C TRP A 258 4.298 -4.205 -1.243 1.00 15.00 C ATOM 434 O TRP A 258 3.909 -4.218 -0.082 1.00 15.00 O ATOM 435 CB TRP A 258 4.158 -6.063 -2.855 1.00 15.00 C ATOM 436 CG TRP A 258 3.264 -7.092 -3.470 1.00 15.00 C ATOM 437 CD1 TRP A 258 3.461 -7.728 -4.658 1.00 15.00 C ATOM 438 CD2 TRP A 258 2.042 -7.610 -2.936 1.00 15.00 C ATOM 439 NE1 TRP A 258 2.452 -8.625 -4.889 1.00 15.00 N ATOM 440 CE2 TRP A 258 1.567 -8.566 -3.853 1.00 15.00 C ATOM 441 CE3 TRP A 258 1.303 -7.366 -1.774 1.00 15.00 C ATOM 442 CZ2 TRP A 258 0.393 -9.271 -3.646 1.00 15.00 C ATOM 443 CZ3 TRP A 258 0.126 -8.065 -1.580 1.00 15.00 C ATOM 444 CH2 TRP A 258 -0.310 -9.010 -2.516 1.00 15.00 C ATOM 0 H TRP A 258 3.661 -4.114 -4.343 1.00 15.00 H new ATOM 0 HA TRP A 258 2.458 -5.038 -1.990 1.00 15.00 H new ATOM 0 HB2 TRP A 258 4.914 -5.778 -3.587 1.00 15.00 H new ATOM 0 HB3 TRP A 258 4.683 -6.517 -2.014 1.00 15.00 H new ATOM 0 HD1 TRP A 258 4.294 -7.551 -5.323 1.00 15.00 H new ATOM 0 HE1 TRP A 258 2.375 -9.236 -5.702 1.00 15.00 H new ATOM 0 HE3 TRP A 258 1.644 -6.647 -1.044 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 0.049 -10.004 -4.361 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -0.465 -7.880 -0.695 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -1.230 -9.545 -2.334 1.00 15.00 H new ATOM 455 N LEU A 259 5.466 -3.715 -1.612 1.00 15.00 N ATOM 456 CA LEU A 259 6.499 -3.369 -0.653 1.00 15.00 C ATOM 457 C LEU A 259 6.907 -1.897 -0.701 1.00 15.00 C ATOM 458 O LEU A 259 6.649 -1.201 -1.688 1.00 15.00 O ATOM 459 CB LEU A 259 7.710 -4.272 -0.770 1.00 15.00 C ATOM 460 CG LEU A 259 7.752 -5.394 0.267 1.00 15.00 C ATOM 461 CD1 LEU A 259 9.127 -6.032 0.267 1.00 15.00 C ATOM 462 CD2 LEU A 259 7.415 -4.856 1.656 1.00 15.00 C ATOM 0 H LEU A 259 5.726 -3.546 -2.584 1.00 15.00 H new ATOM 0 HA LEU A 259 6.048 -3.533 0.326 1.00 15.00 H new ATOM 0 HB2 LEU A 259 7.727 -4.712 -1.767 1.00 15.00 H new ATOM 0 HB3 LEU A 259 8.612 -3.668 -0.673 1.00 15.00 H new ATOM 0 HG LEU A 259 7.007 -6.146 0.006 1.00 15.00 H new ATOM 0 HD11 LEU A 259 9.157 -6.832 1.007 1.00 15.00 H new ATOM 0 HD12 LEU A 259 9.338 -6.443 -0.721 1.00 15.00 H new ATOM 0 HD13 LEU A 259 9.877 -5.281 0.515 1.00 15.00 H new ATOM 0 HD21 LEU A 259 7.450 -5.670 2.380 1.00 15.00 H new ATOM 0 HD22 LEU A 259 8.139 -4.091 1.935 1.00 15.00 H new ATOM 0 HD23 LEU A 259 6.415 -4.423 1.646 1.00 15.00 H new ATOM 474 N ASP A 260 7.551 -1.440 0.381 1.00 15.00 N ATOM 475 CA ASP A 260 7.750 -0.031 0.673 1.00 15.00 C ATOM 476 C ASP A 260 8.521 0.692 -0.423 1.00 15.00 C ATOM 477 O ASP A 260 9.603 0.283 -0.840 1.00 15.00 O ATOM 478 CB ASP A 260 8.514 0.096 1.994 1.00 15.00 C ATOM 479 CG ASP A 260 9.758 -0.767 2.037 1.00 15.00 C ATOM 480 OD1 ASP A 260 9.631 -2.007 2.025 1.00 15.00 O ATOM 481 OD2 ASP A 260 10.864 -0.208 2.100 1.00 15.00 O1- ATOM 0 H ASP A 260 7.953 -2.058 1.086 1.00 15.00 H new ATOM 0 HA ASP A 260 6.767 0.436 0.739 1.00 15.00 H new ATOM 0 HB2 ASP A 260 8.795 1.138 2.148 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.856 -0.182 2.817 1.00 15.00 H new ATOM 486 N PRO A 261 7.945 1.817 -0.870 1.00 15.00 N ATOM 487 CA PRO A 261 8.437 2.618 -1.975 1.00 15.00 C ATOM 488 C PRO A 261 9.453 3.604 -1.575 1.00 15.00 C ATOM 489 O PRO A 261 10.100 4.333 -2.323 1.00 15.00 O ATOM 490 CB PRO A 261 7.165 3.212 -2.564 1.00 15.00 C ATOM 491 CG PRO A 261 6.332 3.469 -1.342 1.00 15.00 C ATOM 492 CD PRO A 261 6.705 2.399 -0.337 1.00 15.00 C ATOM 0 HA PRO A 261 8.990 2.038 -2.714 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.364 4.128 -3.120 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.675 2.522 -3.252 1.00 15.00 H new ATOM 0 HG2 PRO A 261 6.527 4.463 -0.941 1.00 15.00 H new ATOM 0 HG3 PRO A 261 5.269 3.425 -1.580 1.00 15.00 H new ATOM 0 HD2 PRO A 261 6.859 2.822 0.656 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.920 1.648 -0.246 1.00 15.00 H new ATOM 500 N ARG A 262 9.474 3.560 -0.370 1.00 15.00 N ATOM 501 CA ARG A 262 10.151 4.514 0.504 1.00 15.00 C ATOM 502 C ARG A 262 11.629 4.179 0.628 1.00 15.00 C ATOM 503 O ARG A 262 12.420 4.974 1.134 1.00 15.00 O ATOM 504 CB ARG A 262 9.487 4.555 1.891 1.00 15.00 C ATOM 505 CG ARG A 262 9.552 3.240 2.660 1.00 15.00 C ATOM 506 CD ARG A 262 10.852 3.088 3.440 1.00 15.00 C ATOM 507 NE ARG A 262 11.073 1.704 3.845 1.00 15.00 N ATOM 508 CZ ARG A 262 11.427 1.320 5.067 1.00 15.00 C ATOM 509 NH1 ARG A 262 11.728 2.221 5.991 1.00 15.00 N1+ ATOM 510 NH2 ARG A 262 11.525 0.028 5.343 1.00 15.00 N ATOM 0 H ARG A 262 9.000 2.822 0.151 1.00 15.00 H new ATOM 0 HA ARG A 262 10.061 5.503 0.055 1.00 15.00 H new ATOM 0 HB2 ARG A 262 9.964 5.334 2.486 1.00 15.00 H new ATOM 0 HB3 ARG A 262 8.442 4.841 1.772 1.00 15.00 H new ATOM 0 HG2 ARG A 262 8.709 3.183 3.349 1.00 15.00 H new ATOM 0 HG3 ARG A 262 9.450 2.409 1.962 1.00 15.00 H new ATOM 0 HD2 ARG A 262 11.687 3.427 2.827 1.00 15.00 H new ATOM 0 HD3 ARG A 262 10.825 3.727 4.323 1.00 15.00 H new ATOM 0 HE ARG A 262 10.947 0.979 3.139 1.00 15.00 H new ATOM 0 HH11 ARG A 262 11.689 3.215 5.766 1.00 15.00 H new ATOM 0 HH12 ARG A 262 11.999 1.920 6.927 1.00 15.00 H new ATOM 0 HH21 ARG A 262 11.329 -0.664 4.620 1.00 15.00 H new ATOM 0 HH22 ARG A 262 11.796 -0.274 6.279 1.00 15.00 H new ATOM 524 N LEU A 263 11.989 2.991 0.177 1.00 15.00 N ATOM 525 CA LEU A 263 13.350 2.515 0.296 1.00 15.00 C ATOM 526 C LEU A 263 14.010 2.512 -1.078 1.00 15.00 C ATOM 527 O LEU A 263 13.849 1.521 -1.815 1.00 15.00 O ATOM 528 CB LEU A 263 13.356 1.111 0.914 1.00 15.00 C ATOM 529 CG LEU A 263 14.559 0.792 1.813 1.00 15.00 C ATOM 530 CD1 LEU A 263 14.372 -0.554 2.490 1.00 15.00 C ATOM 531 CD2 LEU A 263 15.855 0.803 1.016 1.00 15.00 C ATOM 532 OXT LEU A 263 14.665 3.520 -1.423 1.00 15.00 O ATOM 0 H LEU A 263 11.352 2.337 -0.277 1.00 15.00 H new ATOM 0 HA LEU A 263 13.917 3.177 0.950 1.00 15.00 H new ATOM 0 HB2 LEU A 263 12.444 0.986 1.498 1.00 15.00 H new ATOM 0 HB3 LEU A 263 13.322 0.378 0.108 1.00 15.00 H new ATOM 0 HG LEU A 263 14.622 1.566 2.578 1.00 15.00 H new ATOM 0 HD11 LEU A 263 15.233 -0.765 3.124 1.00 15.00 H new ATOM 0 HD12 LEU A 263 13.469 -0.532 3.100 1.00 15.00 H new ATOM 0 HD13 LEU A 263 14.279 -1.332 1.733 1.00 15.00 H new ATOM 0 HD21 LEU A 263 16.691 0.574 1.677 1.00 15.00 H new ATOM 0 HD22 LEU A 263 15.802 0.055 0.225 1.00 15.00 H new ATOM 0 HD23 LEU A 263 16.002 1.788 0.574 1.00 15.00 H new ATOM 545 N THR B 222 0.314 -13.932 -6.766 1.00 15.00 N ATOM 546 CA THR B 222 -0.949 -13.180 -6.908 1.00 15.00 C ATOM 547 C THR B 222 -0.717 -11.694 -6.654 1.00 15.00 C ATOM 548 O THR B 222 -0.003 -11.332 -5.722 1.00 15.00 O ATOM 549 CB THR B 222 -2.005 -13.711 -5.913 1.00 15.00 C ATOM 550 OG1 THR B 222 -2.128 -15.132 -6.053 1.00 15.00 O ATOM 551 CG2 THR B 222 -3.363 -13.065 -6.147 1.00 15.00 C ATOM 0 HA THR B 222 -1.313 -13.316 -7.926 1.00 15.00 H new ATOM 0 HB THR B 222 -1.673 -13.460 -4.906 1.00 15.00 H new ATOM 0 HG1 THR B 222 -1.274 -15.506 -6.355 1.00 15.00 H new ATOM 0 HG21 THR B 222 -4.083 -13.461 -5.430 1.00 15.00 H new ATOM 0 HG22 THR B 222 -3.279 -11.986 -6.019 1.00 15.00 H new ATOM 0 HG23 THR B 222 -3.701 -13.285 -7.160 1.00 15.00 H new ATOM 561 N PRO B 223 -1.271 -10.815 -7.513 1.00 15.00 N ATOM 562 CA PRO B 223 -1.265 -9.359 -7.284 1.00 15.00 C ATOM 563 C PRO B 223 -1.947 -8.991 -5.959 1.00 15.00 C ATOM 564 O PRO B 223 -2.658 -9.810 -5.378 1.00 15.00 O ATOM 565 CB PRO B 223 -2.072 -8.815 -8.472 1.00 15.00 C ATOM 566 CG PRO B 223 -1.943 -9.856 -9.525 1.00 15.00 C ATOM 567 CD PRO B 223 -1.915 -11.164 -8.794 1.00 15.00 C ATOM 0 HA PRO B 223 -0.256 -8.951 -7.216 1.00 15.00 H new ATOM 0 HB2 PRO B 223 -3.115 -8.653 -8.201 1.00 15.00 H new ATOM 0 HB3 PRO B 223 -1.679 -7.857 -8.812 1.00 15.00 H new ATOM 0 HG2 PRO B 223 -2.779 -9.814 -10.223 1.00 15.00 H new ATOM 0 HG3 PRO B 223 -1.034 -9.713 -10.109 1.00 15.00 H new ATOM 0 HD2 PRO B 223 -2.918 -11.565 -8.646 1.00 15.00 H new ATOM 0 HD3 PRO B 223 -1.347 -11.919 -9.339 1.00 15.00 H new ATOM 575 N PRO B 224 -1.779 -7.743 -5.479 1.00 15.00 N ATOM 576 CA PRO B 224 -2.313 -7.297 -4.204 1.00 15.00 C ATOM 577 C PRO B 224 -3.726 -6.747 -4.364 1.00 15.00 C ATOM 578 O PRO B 224 -4.246 -6.692 -5.482 1.00 15.00 O ATOM 579 CB PRO B 224 -1.320 -6.183 -3.791 1.00 15.00 C ATOM 580 CG PRO B 224 -0.550 -5.829 -5.030 1.00 15.00 C ATOM 581 CD PRO B 224 -1.148 -6.623 -6.157 1.00 15.00 C ATOM 0 HA PRO B 224 -2.398 -8.094 -3.466 1.00 15.00 H new ATOM 0 HB2 PRO B 224 -1.850 -5.314 -3.400 1.00 15.00 H new ATOM 0 HB3 PRO B 224 -0.652 -6.530 -3.003 1.00 15.00 H new ATOM 0 HG2 PRO B 224 -0.616 -4.760 -5.233 1.00 15.00 H new ATOM 0 HG3 PRO B 224 0.507 -6.066 -4.909 1.00 15.00 H new ATOM 0 HD2 PRO B 224 -1.871 -6.036 -6.723 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -0.387 -6.957 -6.862 1.00 15.00 H new ATOM 589 N PRO B 225 -4.376 -6.354 -3.257 1.00 15.00 N ATOM 590 CA PRO B 225 -5.668 -5.672 -3.314 1.00 15.00 C ATOM 591 C PRO B 225 -5.638 -4.509 -4.305 1.00 15.00 C ATOM 592 O PRO B 225 -4.634 -3.811 -4.413 1.00 15.00 O ATOM 593 CB PRO B 225 -5.842 -5.151 -1.887 1.00 15.00 C ATOM 594 CG PRO B 225 -5.089 -6.116 -1.039 1.00 15.00 C ATOM 595 CD PRO B 225 -3.924 -6.577 -1.871 1.00 15.00 C ATOM 0 HA PRO B 225 -6.477 -6.323 -3.646 1.00 15.00 H new ATOM 0 HB2 PRO B 225 -5.447 -4.140 -1.783 1.00 15.00 H new ATOM 0 HB3 PRO B 225 -6.894 -5.113 -1.605 1.00 15.00 H new ATOM 0 HG2 PRO B 225 -4.748 -5.643 -0.118 1.00 15.00 H new ATOM 0 HG3 PRO B 225 -5.720 -6.957 -0.751 1.00 15.00 H new ATOM 0 HD2 PRO B 225 -3.022 -6.008 -1.647 1.00 15.00 H new ATOM 0 HD3 PRO B 225 -3.692 -7.626 -1.689 1.00 15.00 H new ATOM 603 N ALA B 226 -6.734 -4.315 -5.029 1.00 15.00 N ATOM 604 CA ALA B 226 -6.833 -3.235 -6.014 1.00 15.00 C ATOM 605 C ALA B 226 -6.622 -1.867 -5.366 1.00 15.00 C ATOM 606 O ALA B 226 -6.379 -1.769 -4.163 1.00 15.00 O ATOM 607 CB ALA B 226 -8.185 -3.287 -6.711 1.00 15.00 C ATOM 0 H ALA B 226 -7.572 -4.892 -4.955 1.00 15.00 H new ATOM 0 HA ALA B 226 -6.044 -3.378 -6.752 1.00 15.00 H new ATOM 0 HB1 ALA B 226 -8.249 -2.480 -7.441 1.00 15.00 H new ATOM 0 HB2 ALA B 226 -8.296 -4.245 -7.218 1.00 15.00 H new ATOM 0 HB3 ALA B 226 -8.979 -3.173 -5.973 1.00 15.00 H new ATOM 613 N TYR B 227 -6.694 -0.806 -6.155 1.00 15.00 N ATOM 614 CA TYR B 227 -6.567 0.526 -5.597 1.00 15.00 C ATOM 615 C TYR B 227 -7.808 0.830 -4.760 1.00 15.00 C ATOM 616 O TYR B 227 -8.949 0.782 -5.230 1.00 15.00 O ATOM 617 CB TYR B 227 -6.298 1.571 -6.689 1.00 15.00 C ATOM 618 CG TYR B 227 -6.596 2.983 -6.256 1.00 15.00 C ATOM 619 CD1 TYR B 227 -6.058 3.490 -5.084 1.00 15.00 C ATOM 620 CD2 TYR B 227 -7.415 3.808 -7.015 1.00 15.00 C ATOM 621 CE1 TYR B 227 -6.324 4.774 -4.677 1.00 15.00 C ATOM 622 CE2 TYR B 227 -7.686 5.098 -6.617 1.00 15.00 C ATOM 623 CZ TYR B 227 -7.140 5.578 -5.449 1.00 15.00 C ATOM 624 OH TYR B 227 -7.403 6.866 -5.057 1.00 15.00 O ATOM 0 H TYR B 227 -6.837 -0.841 -7.164 1.00 15.00 H new ATOM 0 HA TYR B 227 -5.698 0.573 -4.940 1.00 15.00 H new ATOM 0 HB2 TYR B 227 -5.254 1.506 -6.994 1.00 15.00 H new ATOM 0 HB3 TYR B 227 -6.901 1.333 -7.565 1.00 15.00 H new ATOM 0 HD1 TYR B 227 -5.418 2.864 -4.480 1.00 15.00 H new ATOM 0 HD2 TYR B 227 -7.846 3.432 -7.931 1.00 15.00 H new ATOM 0 HE1 TYR B 227 -5.898 5.153 -3.760 1.00 15.00 H new ATOM 0 HE2 TYR B 227 -8.323 5.729 -7.218 1.00 15.00 H new ATOM 0 HH TYR B 227 -6.953 7.491 -5.663 1.00 15.00 H new ATOM 634 N LEU B 228 -7.521 1.160 -3.518 1.00 15.00 N ATOM 635 CA LEU B 228 -8.399 0.938 -2.385 1.00 15.00 C ATOM 636 C LEU B 228 -8.180 2.001 -1.316 1.00 15.00 C ATOM 637 O LEU B 228 -7.110 2.602 -1.266 1.00 15.00 O ATOM 638 CB LEU B 228 -8.182 -0.454 -1.779 1.00 15.00 C ATOM 639 CG LEU B 228 -8.856 -1.609 -2.526 1.00 15.00 C ATOM 640 CD1 LEU B 228 -8.603 -2.924 -1.809 1.00 15.00 C ATOM 641 CD2 LEU B 228 -10.350 -1.358 -2.664 1.00 15.00 C ATOM 0 H LEU B 228 -6.641 1.605 -3.259 1.00 15.00 H new ATOM 0 HA LEU B 228 -9.424 1.003 -2.749 1.00 15.00 H new ATOM 0 HB2 LEU B 228 -7.111 -0.649 -1.734 1.00 15.00 H new ATOM 0 HB3 LEU B 228 -8.548 -0.445 -0.752 1.00 15.00 H new ATOM 0 HG LEU B 228 -8.424 -1.670 -3.525 1.00 15.00 H new ATOM 0 HD11 LEU B 228 -9.089 -3.734 -2.353 1.00 15.00 H new ATOM 0 HD12 LEU B 228 -7.530 -3.111 -1.760 1.00 15.00 H new ATOM 0 HD13 LEU B 228 -9.008 -2.871 -0.798 1.00 15.00 H new ATOM 0 HD21 LEU B 228 -10.811 -2.189 -3.197 1.00 15.00 H new ATOM 0 HD22 LEU B 228 -10.797 -1.270 -1.674 1.00 15.00 H new ATOM 0 HD23 LEU B 228 -10.514 -0.435 -3.220 1.00 15.00 H new ATOM 653 N PRO B 229 -9.186 2.324 -0.500 1.00 15.00 N ATOM 654 CA PRO B 229 -8.930 3.073 0.717 1.00 15.00 C ATOM 655 C PRO B 229 -8.601 2.060 1.819 1.00 15.00 C ATOM 656 O PRO B 229 -9.105 0.935 1.807 1.00 15.00 O ATOM 657 CB PRO B 229 -10.262 3.784 1.006 1.00 15.00 C ATOM 658 CG PRO B 229 -11.235 3.302 -0.027 1.00 15.00 C ATOM 659 CD PRO B 229 -10.625 2.097 -0.692 1.00 15.00 C ATOM 0 HA PRO B 229 -8.106 3.784 0.649 1.00 15.00 H new ATOM 0 HB2 PRO B 229 -10.616 3.552 2.010 1.00 15.00 H new ATOM 0 HB3 PRO B 229 -10.144 4.866 0.952 1.00 15.00 H new ATOM 0 HG2 PRO B 229 -12.188 3.044 0.434 1.00 15.00 H new ATOM 0 HG3 PRO B 229 -11.436 4.084 -0.759 1.00 15.00 H new ATOM 0 HD2 PRO B 229 -10.955 1.167 -0.229 1.00 15.00 H new ATOM 0 HD3 PRO B 229 -10.890 2.038 -1.748 1.00 15.00 H new ATOM 667 N PRO B 230 -7.775 2.447 2.801 1.00 15.00 N ATOM 668 CA PRO B 230 -6.807 1.548 3.434 1.00 15.00 C ATOM 669 C PRO B 230 -7.330 0.768 4.632 1.00 15.00 C ATOM 670 O PRO B 230 -8.208 1.215 5.373 1.00 15.00 O ATOM 671 CB PRO B 230 -5.707 2.514 3.900 1.00 15.00 C ATOM 672 CG PRO B 230 -6.185 3.898 3.572 1.00 15.00 C ATOM 673 CD PRO B 230 -7.663 3.791 3.347 1.00 15.00 C ATOM 0 HA PRO B 230 -6.500 0.771 2.734 1.00 15.00 H new ATOM 0 HB2 PRO B 230 -5.527 2.410 4.970 1.00 15.00 H new ATOM 0 HB3 PRO B 230 -4.764 2.300 3.396 1.00 15.00 H new ATOM 0 HG2 PRO B 230 -5.965 4.588 4.386 1.00 15.00 H new ATOM 0 HG3 PRO B 230 -5.683 4.282 2.684 1.00 15.00 H new ATOM 0 HD2 PRO B 230 -8.228 3.907 4.272 1.00 15.00 H new ATOM 0 HD3 PRO B 230 -8.028 4.548 2.653 1.00 15.00 H new ATOM 681 N GLU B 231 -6.740 -0.411 4.799 1.00 15.00 N ATOM 682 CA GLU B 231 -7.293 -1.464 5.650 1.00 15.00 C ATOM 683 C GLU B 231 -6.458 -1.695 6.899 1.00 15.00 C ATOM 684 O GLU B 231 -5.245 -1.501 6.903 1.00 15.00 O ATOM 685 CB GLU B 231 -7.462 -2.768 4.864 1.00 15.00 C ATOM 686 CG GLU B 231 -6.313 -3.116 3.951 1.00 15.00 C ATOM 687 CD GLU B 231 -6.692 -4.188 2.951 1.00 15.00 C ATOM 688 OE1 GLU B 231 -7.343 -3.858 1.936 1.00 15.00 O1- ATOM 689 OE2 GLU B 231 -6.365 -5.371 3.187 1.00 15.00 O ATOM 0 H GLU B 231 -5.862 -0.666 4.347 1.00 15.00 H new ATOM 0 HA GLU B 231 -8.275 -1.124 5.978 1.00 15.00 H new ATOM 0 HB2 GLU B 231 -7.605 -3.585 5.571 1.00 15.00 H new ATOM 0 HB3 GLU B 231 -8.372 -2.700 4.268 1.00 15.00 H new ATOM 0 HG2 GLU B 231 -5.988 -2.222 3.419 1.00 15.00 H new ATOM 0 HG3 GLU B 231 -5.467 -3.458 4.547 1.00 15.00 H new ATOM 696 N ASP B 232 -7.131 -2.125 7.951 1.00 15.00 N ATOM 697 CA ASP B 232 -6.529 -2.189 9.285 1.00 15.00 C ATOM 698 C ASP B 232 -6.077 -3.605 9.692 1.00 15.00 C ATOM 699 O ASP B 232 -4.934 -3.767 10.114 1.00 15.00 O ATOM 700 CB ASP B 232 -7.503 -1.633 10.330 1.00 15.00 C ATOM 701 CG ASP B 232 -6.917 -1.598 11.730 1.00 15.00 C ATOM 702 OD1 ASP B 232 -6.279 -0.584 12.089 1.00 15.00 O1- ATOM 703 OD2 ASP B 232 -7.118 -2.569 12.490 1.00 15.00 O ATOM 0 H ASP B 232 -8.101 -2.438 7.914 1.00 15.00 H new ATOM 0 HA ASP B 232 -5.629 -1.576 9.243 1.00 15.00 H new ATOM 0 HB2 ASP B 232 -7.800 -0.625 10.041 1.00 15.00 H new ATOM 0 HB3 ASP B 232 -8.407 -2.242 10.336 1.00 15.00 H new ATOM 708 N PRO B 233 -6.950 -4.643 9.601 1.00 15.00 N ATOM 709 CA PRO B 233 -6.653 -5.986 10.144 1.00 15.00 C ATOM 710 C PRO B 233 -5.549 -6.731 9.390 1.00 15.00 C ATOM 711 O PRO B 233 -4.391 -6.728 9.871 1.00 15.00 O ATOM 712 CB PRO B 233 -7.985 -6.742 10.010 1.00 15.00 C ATOM 713 CG PRO B 233 -9.007 -5.700 9.706 1.00 15.00 C ATOM 714 CD PRO B 233 -8.278 -4.614 8.977 1.00 15.00 C ATOM 715 OXT PRO B 233 -5.846 -7.349 8.348 1.00 15.00 O ATOM 0 HA PRO B 233 -6.280 -5.910 11.165 1.00 15.00 H new ATOM 0 HB2 PRO B 233 -7.935 -7.486 9.215 1.00 15.00 H new ATOM 0 HB3 PRO B 233 -8.229 -7.274 10.930 1.00 15.00 H new ATOM 0 HG2 PRO B 233 -9.812 -6.108 9.095 1.00 15.00 H new ATOM 0 HG3 PRO B 233 -9.462 -5.320 10.621 1.00 15.00 H new ATOM 0 HD2 PRO B 233 -8.227 -4.809 7.906 1.00 15.00 H new ATOM 0 HD3 PRO B 233 -8.763 -3.646 9.102 1.00 15.00 H new