USER MOD reduce.3.24.130724 H: found=0, std=0, add=342, rem=0, adj=12 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 :FLIP no HE2:sc= 0 F(o=-2.7,f=-1.8) USER MOD Set 1.2: B 227 TYR OH : rot 180:sc= -1.75! USER MOD Set 2.1: A 250 ASN : amide:sc= -2.15 K(o=-2.2,f=-10!) USER MOD Set 2.2: A 253 ASN : amide:sc= -0.0362 K(o=-2.2,f=-10) USER MOD Set 3.1: A 238 GLN : amide:sc= 0.493 X(o=0.74,f=0.56) USER MOD Set 3.2: A 248 TYR OH : rot -150:sc= 0.249 USER MOD Single : A 240 MET CE :methyl -138:sc= -0.224 (180deg=-0.959) USER MOD Single : A 241 THR OG1 : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= -0.0312 X(o=-0.031,f=-0.03) USER MOD Single : A 247 TYR OH : rot 99:sc= -1.69! USER MOD Single : A 252 LYS NZ :NH3+ 167:sc= -0.0188 (180deg=-0.208) USER MOD Single : A 254 LYS NZ :NH3+ -163:sc= -0.0637 (180deg=-0.308) USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.507 USER MOD Single : A 256 THR OG1 : rot 140:sc= 0 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot -33:sc= 0.427 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 231 7.183 5.600 7.088 1.00 15.00 N ATOM 9 CA PRO A 231 7.298 6.957 6.601 1.00 15.00 C ATOM 10 C PRO A 231 7.228 6.973 5.085 1.00 15.00 C ATOM 11 O PRO A 231 8.210 6.657 4.409 1.00 15.00 O ATOM 12 CB PRO A 231 8.706 7.344 7.087 1.00 15.00 C ATOM 13 CG PRO A 231 9.418 6.033 7.347 1.00 15.00 C ATOM 14 CD PRO A 231 8.471 4.936 6.919 1.00 15.00 C ATOM 0 HA PRO A 231 6.513 7.630 6.946 1.00 15.00 H new ATOM 0 HB2 PRO A 231 9.232 7.934 6.337 1.00 15.00 H new ATOM 0 HB3 PRO A 231 8.656 7.950 7.992 1.00 15.00 H new ATOM 0 HG2 PRO A 231 10.351 5.981 6.786 1.00 15.00 H new ATOM 0 HG3 PRO A 231 9.675 5.934 8.402 1.00 15.00 H new ATOM 0 HD2 PRO A 231 8.641 4.622 5.889 1.00 15.00 H new ATOM 0 HD3 PRO A 231 8.561 4.046 7.542 1.00 15.00 H new ATOM 22 N LEU A 232 6.068 7.276 4.532 1.00 15.00 N ATOM 23 CA LEU A 232 5.875 6.992 3.127 1.00 15.00 C ATOM 24 C LEU A 232 6.312 8.140 2.247 1.00 15.00 C ATOM 25 O LEU A 232 6.411 9.281 2.693 1.00 15.00 O ATOM 26 CB LEU A 232 4.451 6.555 2.757 1.00 15.00 C ATOM 27 CG LEU A 232 3.936 5.304 3.477 1.00 15.00 C ATOM 28 CD1 LEU A 232 5.063 4.533 4.149 1.00 15.00 C ATOM 29 CD2 LEU A 232 2.873 5.651 4.489 1.00 15.00 C ATOM 0 H LEU A 232 5.276 7.702 5.013 1.00 15.00 H new ATOM 0 HA LEU A 232 6.520 6.134 2.938 1.00 15.00 H new ATOM 0 HB2 LEU A 232 3.770 7.380 2.968 1.00 15.00 H new ATOM 0 HB3 LEU A 232 4.412 6.376 1.682 1.00 15.00 H new ATOM 0 HG LEU A 232 3.495 4.663 2.714 1.00 15.00 H new ATOM 0 HD11 LEU A 232 4.655 3.654 4.648 1.00 15.00 H new ATOM 0 HD12 LEU A 232 5.788 4.220 3.398 1.00 15.00 H new ATOM 0 HD13 LEU A 232 5.554 5.172 4.883 1.00 15.00 H new ATOM 0 HD21 LEU A 232 2.529 4.742 4.982 1.00 15.00 H new ATOM 0 HD22 LEU A 232 3.287 6.332 5.232 1.00 15.00 H new ATOM 0 HD23 LEU A 232 2.034 6.130 3.985 1.00 15.00 H new ATOM 41 N PRO A 233 6.557 7.842 0.965 1.00 15.00 N ATOM 42 CA PRO A 233 7.092 8.818 0.019 1.00 15.00 C ATOM 43 C PRO A 233 6.173 10.030 -0.121 1.00 15.00 C ATOM 44 O PRO A 233 6.584 11.173 0.081 1.00 15.00 O ATOM 45 CB PRO A 233 7.099 8.036 -1.290 1.00 15.00 C ATOM 46 CG PRO A 233 7.137 6.591 -0.908 1.00 15.00 C ATOM 47 CD PRO A 233 6.315 6.525 0.327 1.00 15.00 C ATOM 0 HA PRO A 233 8.063 9.209 0.324 1.00 15.00 H new ATOM 0 HB2 PRO A 233 6.212 8.260 -1.882 1.00 15.00 H new ATOM 0 HB3 PRO A 233 7.964 8.301 -1.898 1.00 15.00 H new ATOM 0 HG2 PRO A 233 6.726 5.959 -1.695 1.00 15.00 H new ATOM 0 HG3 PRO A 233 8.157 6.252 -0.727 1.00 15.00 H new ATOM 0 HD2 PRO A 233 5.259 6.375 0.101 1.00 15.00 H new ATOM 0 HD3 PRO A 233 6.623 5.702 0.972 1.00 15.00 H new ATOM 55 N ASP A 234 4.920 9.757 -0.450 1.00 15.00 N ATOM 56 CA ASP A 234 3.907 10.796 -0.600 1.00 15.00 C ATOM 57 C ASP A 234 2.999 10.807 0.621 1.00 15.00 C ATOM 58 O ASP A 234 2.163 11.696 0.792 1.00 15.00 O ATOM 59 CB ASP A 234 3.074 10.557 -1.862 1.00 15.00 C ATOM 60 CG ASP A 234 3.924 10.228 -3.073 1.00 15.00 C ATOM 61 OD1 ASP A 234 4.324 9.054 -3.212 1.00 15.00 O ATOM 62 OD2 ASP A 234 4.188 11.131 -3.894 1.00 15.00 O1- ATOM 0 H ASP A 234 4.575 8.812 -0.621 1.00 15.00 H new ATOM 0 HA ASP A 234 4.407 11.760 -0.691 1.00 15.00 H new ATOM 0 HB2 ASP A 234 2.375 9.740 -1.681 1.00 15.00 H new ATOM 0 HB3 ASP A 234 2.478 11.445 -2.072 1.00 15.00 H new ATOM 67 N GLY A 235 3.157 9.790 1.456 1.00 15.00 N ATOM 68 CA GLY A 235 2.259 9.595 2.573 1.00 15.00 C ATOM 69 C GLY A 235 1.089 8.723 2.180 1.00 15.00 C ATOM 70 O GLY A 235 -0.070 9.136 2.259 1.00 15.00 O ATOM 0 H GLY A 235 3.897 9.092 1.378 1.00 15.00 H new ATOM 0 HA2 GLY A 235 2.798 9.135 3.402 1.00 15.00 H new ATOM 0 HA3 GLY A 235 1.896 10.560 2.925 1.00 15.00 H new ATOM 74 N TRP A 236 1.403 7.512 1.743 1.00 15.00 N ATOM 75 CA TRP A 236 0.391 6.592 1.259 1.00 15.00 C ATOM 76 C TRP A 236 0.504 5.248 1.936 1.00 15.00 C ATOM 77 O TRP A 236 1.594 4.772 2.171 1.00 15.00 O ATOM 78 CB TRP A 236 0.454 6.459 -0.244 1.00 15.00 C ATOM 79 CG TRP A 236 1.798 6.221 -0.890 1.00 15.00 C ATOM 80 CD1 TRP A 236 2.890 7.060 -0.974 1.00 15.00 C ATOM 81 CD2 TRP A 236 2.160 5.057 -1.644 1.00 15.00 C ATOM 82 NE1 TRP A 236 3.800 6.524 -1.820 1.00 15.00 N ATOM 83 CE2 TRP A 236 3.408 5.295 -2.206 1.00 15.00 C ATOM 84 CE3 TRP A 236 1.552 3.848 -1.923 1.00 15.00 C ATOM 85 CZ2 TRP A 236 4.049 4.380 -3.028 1.00 15.00 C ATOM 86 CZ3 TRP A 236 2.225 2.956 -2.742 1.00 15.00 C ATOM 87 CH2 TRP A 236 3.441 3.218 -3.274 1.00 15.00 C ATOM 0 H TRP A 236 2.354 7.145 1.715 1.00 15.00 H new ATOM 0 HA TRP A 236 -0.585 7.005 1.514 1.00 15.00 H new ATOM 0 HB2 TRP A 236 -0.202 5.638 -0.532 1.00 15.00 H new ATOM 0 HB3 TRP A 236 0.035 7.368 -0.675 1.00 15.00 H new ATOM 0 HD1 TRP A 236 3.001 7.997 -0.448 1.00 15.00 H new ATOM 0 HE1 TRP A 236 4.659 6.984 -2.122 1.00 15.00 H new ATOM 0 HE3 TRP A 236 0.582 3.606 -1.515 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 5.015 4.602 -3.458 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 1.758 2.008 -2.966 1.00 15.00 H new ATOM 0 HH2 TRP A 236 3.922 2.482 -3.901 1.00 15.00 H new ATOM 98 N GLU A 237 -0.606 4.553 2.081 1.00 15.00 N ATOM 99 CA GLU A 237 -0.790 3.703 3.241 1.00 15.00 C ATOM 100 C GLU A 237 -0.263 2.318 3.041 1.00 15.00 C ATOM 101 O GLU A 237 -0.472 1.657 2.022 1.00 15.00 O ATOM 102 CB GLU A 237 -2.273 3.657 3.600 1.00 15.00 C ATOM 103 CG GLU A 237 -2.684 2.712 4.731 1.00 15.00 C ATOM 104 CD GLU A 237 -2.091 3.118 6.067 1.00 15.00 C ATOM 105 OE1 GLU A 237 -0.900 2.840 6.314 1.00 15.00 O ATOM 106 OE2 GLU A 237 -2.816 3.741 6.870 1.00 15.00 O1- ATOM 0 H GLU A 237 -1.384 4.558 1.421 1.00 15.00 H new ATOM 0 HA GLU A 237 -0.214 4.136 4.059 1.00 15.00 H new ATOM 0 HB2 GLU A 237 -2.588 4.665 3.869 1.00 15.00 H new ATOM 0 HB3 GLU A 237 -2.830 3.377 2.706 1.00 15.00 H new ATOM 0 HG2 GLU A 237 -3.771 2.694 4.809 1.00 15.00 H new ATOM 0 HG3 GLU A 237 -2.365 1.698 4.488 1.00 15.00 H new ATOM 113 N GLN A 238 0.407 1.924 4.093 1.00 15.00 N ATOM 114 CA GLN A 238 1.071 0.647 4.193 1.00 15.00 C ATOM 115 C GLN A 238 0.411 -0.139 5.292 1.00 15.00 C ATOM 116 O GLN A 238 0.588 0.136 6.480 1.00 15.00 O ATOM 117 CB GLN A 238 2.565 0.794 4.481 1.00 15.00 C ATOM 118 CG GLN A 238 3.276 -0.536 4.662 1.00 15.00 C ATOM 119 CD GLN A 238 4.010 -0.634 5.984 1.00 15.00 C ATOM 120 OE1 GLN A 238 3.463 -1.107 6.978 1.00 15.00 O ATOM 121 NE2 GLN A 238 5.245 -0.169 6.011 1.00 15.00 N ATOM 0 H GLN A 238 0.510 2.499 4.929 1.00 15.00 H new ATOM 0 HA GLN A 238 0.983 0.131 3.237 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.034 1.340 3.662 1.00 15.00 H new ATOM 0 HB3 GLN A 238 2.697 1.394 5.381 1.00 15.00 H new ATOM 0 HG2 GLN A 238 2.548 -1.344 4.595 1.00 15.00 H new ATOM 0 HG3 GLN A 238 3.985 -0.678 3.846 1.00 15.00 H new ATOM 0 HE21 GLN A 238 5.664 0.216 5.164 1.00 15.00 H new ATOM 0 HE22 GLN A 238 5.781 -0.195 6.879 1.00 15.00 H new ATOM 130 N ALA A 239 -0.377 -1.087 4.882 1.00 15.00 N ATOM 131 CA ALA A 239 -1.205 -1.826 5.790 1.00 15.00 C ATOM 132 C ALA A 239 -0.965 -3.305 5.606 1.00 15.00 C ATOM 133 O ALA A 239 -0.594 -3.749 4.516 1.00 15.00 O ATOM 134 CB ALA A 239 -2.655 -1.456 5.578 1.00 15.00 C ATOM 0 H ALA A 239 -0.465 -1.371 3.906 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.949 -1.574 6.819 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.280 -2.020 6.270 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -2.788 -0.389 5.757 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.945 -1.691 4.554 1.00 15.00 H new ATOM 140 N MET A 240 -1.139 -4.066 6.665 1.00 15.00 N ATOM 141 CA MET A 240 -0.811 -5.471 6.623 1.00 15.00 C ATOM 142 C MET A 240 -2.018 -6.260 6.166 1.00 15.00 C ATOM 143 O MET A 240 -3.046 -6.299 6.836 1.00 15.00 O ATOM 144 CB MET A 240 -0.357 -5.961 7.999 1.00 15.00 C ATOM 145 CG MET A 240 0.913 -5.291 8.502 1.00 15.00 C ATOM 146 SD MET A 240 1.340 -5.789 10.185 1.00 15.00 S ATOM 147 CE MET A 240 -0.083 -5.167 11.085 1.00 15.00 C ATOM 0 H MET A 240 -1.503 -3.737 7.559 1.00 15.00 H new ATOM 0 HA MET A 240 0.008 -5.619 5.919 1.00 15.00 H new ATOM 0 HB2 MET A 240 -1.157 -5.787 8.718 1.00 15.00 H new ATOM 0 HB3 MET A 240 -0.196 -7.038 7.956 1.00 15.00 H new ATOM 0 HG2 MET A 240 1.738 -5.537 7.834 1.00 15.00 H new ATOM 0 HG3 MET A 240 0.787 -4.209 8.468 1.00 15.00 H new ATOM 0 HE1 MET A 240 0.248 -4.705 12.015 1.00 15.00 H new ATOM 0 HE2 MET A 240 -0.603 -4.427 10.477 1.00 15.00 H new ATOM 0 HE3 MET A 240 -0.760 -5.991 11.310 1.00 15.00 H new ATOM 157 N THR A 241 -1.886 -6.871 5.006 1.00 15.00 N ATOM 158 CA THR A 241 -2.945 -7.686 4.458 1.00 15.00 C ATOM 159 C THR A 241 -2.764 -9.112 4.946 1.00 15.00 C ATOM 160 O THR A 241 -1.635 -9.536 5.206 1.00 15.00 O ATOM 161 CB THR A 241 -2.976 -7.640 2.911 1.00 15.00 C ATOM 162 OG1 THR A 241 -4.068 -8.424 2.416 1.00 15.00 O ATOM 163 CG2 THR A 241 -1.675 -8.154 2.314 1.00 15.00 C ATOM 0 H THR A 241 -1.050 -6.816 4.424 1.00 15.00 H new ATOM 0 HA THR A 241 -3.901 -7.289 4.801 1.00 15.00 H new ATOM 0 HB THR A 241 -3.105 -6.599 2.614 1.00 15.00 H new ATOM 0 HG1 THR A 241 -4.080 -8.387 1.437 1.00 15.00 H new ATOM 0 HG21 THR A 241 -1.731 -8.108 1.226 1.00 15.00 H new ATOM 0 HG22 THR A 241 -0.846 -7.537 2.661 1.00 15.00 H new ATOM 0 HG23 THR A 241 -1.514 -9.186 2.626 1.00 15.00 H new ATOM 171 N GLN A 242 -3.874 -9.835 5.078 1.00 15.00 N ATOM 172 CA GLN A 242 -3.886 -11.157 5.710 1.00 15.00 C ATOM 173 C GLN A 242 -2.975 -12.132 4.978 1.00 15.00 C ATOM 174 O GLN A 242 -2.516 -13.122 5.545 1.00 15.00 O ATOM 175 CB GLN A 242 -5.300 -11.719 5.700 1.00 15.00 C ATOM 176 CG GLN A 242 -6.343 -10.789 6.302 1.00 15.00 C ATOM 177 CD GLN A 242 -6.025 -10.378 7.729 1.00 15.00 C ATOM 178 OE1 GLN A 242 -6.417 -11.045 8.685 1.00 15.00 O ATOM 179 NE2 GLN A 242 -5.328 -9.265 7.880 1.00 15.00 N ATOM 0 H GLN A 242 -4.789 -9.524 4.752 1.00 15.00 H new ATOM 0 HA GLN A 242 -3.527 -11.037 6.732 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -5.582 -11.946 4.672 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -5.309 -12.661 6.249 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -6.424 -9.896 5.683 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -7.315 -11.281 6.281 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -5.021 -8.740 7.061 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -5.097 -8.931 8.816 1.00 15.00 H new ATOM 188 N ASP A 243 -2.755 -11.850 3.705 1.00 15.00 N ATOM 189 CA ASP A 243 -1.806 -12.603 2.878 1.00 15.00 C ATOM 190 C ASP A 243 -0.389 -12.520 3.458 1.00 15.00 C ATOM 191 O ASP A 243 0.489 -13.314 3.127 1.00 15.00 O ATOM 192 CB ASP A 243 -1.799 -12.035 1.467 1.00 15.00 C ATOM 193 CG ASP A 243 -1.111 -12.946 0.471 1.00 15.00 C ATOM 194 OD1 ASP A 243 -1.741 -13.937 0.039 1.00 15.00 O ATOM 195 OD2 ASP A 243 0.047 -12.676 0.103 1.00 15.00 O1- ATOM 0 H ASP A 243 -3.226 -11.094 3.208 1.00 15.00 H new ATOM 0 HA ASP A 243 -2.119 -13.647 2.862 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -2.826 -11.862 1.145 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -1.299 -11.067 1.473 1.00 15.00 H new ATOM 200 N GLY A 244 -0.196 -11.545 4.328 1.00 15.00 N ATOM 201 CA GLY A 244 1.072 -11.354 5.006 1.00 15.00 C ATOM 202 C GLY A 244 2.008 -10.432 4.255 1.00 15.00 C ATOM 203 O GLY A 244 3.194 -10.724 4.105 1.00 15.00 O ATOM 0 H GLY A 244 -0.912 -10.865 4.583 1.00 15.00 H new ATOM 0 HA2 GLY A 244 0.889 -10.946 6.000 1.00 15.00 H new ATOM 0 HA3 GLY A 244 1.555 -12.322 5.142 1.00 15.00 H new ATOM 207 N GLU A 245 1.475 -9.298 3.814 1.00 15.00 N ATOM 208 CA GLU A 245 2.272 -8.298 3.101 1.00 15.00 C ATOM 209 C GLU A 245 1.962 -6.895 3.595 1.00 15.00 C ATOM 210 O GLU A 245 0.804 -6.570 3.874 1.00 15.00 O ATOM 211 CB GLU A 245 2.006 -8.352 1.594 1.00 15.00 C ATOM 212 CG GLU A 245 2.624 -9.553 0.889 1.00 15.00 C ATOM 213 CD GLU A 245 4.104 -9.723 1.182 1.00 15.00 C ATOM 214 OE1 GLU A 245 4.804 -8.708 1.380 1.00 15.00 O1- ATOM 215 OE2 GLU A 245 4.577 -10.881 1.226 1.00 15.00 O ATOM 0 H GLU A 245 0.494 -9.045 3.936 1.00 15.00 H new ATOM 0 HA GLU A 245 3.319 -8.531 3.296 1.00 15.00 H new ATOM 0 HB2 GLU A 245 0.929 -8.363 1.428 1.00 15.00 H new ATOM 0 HB3 GLU A 245 2.390 -7.440 1.137 1.00 15.00 H new ATOM 0 HG2 GLU A 245 2.094 -10.456 1.192 1.00 15.00 H new ATOM 0 HG3 GLU A 245 2.483 -9.447 -0.187 1.00 15.00 H new ATOM 222 N ILE A 246 2.993 -6.064 3.688 1.00 15.00 N ATOM 223 CA ILE A 246 2.802 -4.647 3.954 1.00 15.00 C ATOM 224 C ILE A 246 2.657 -3.904 2.624 1.00 15.00 C ATOM 225 O ILE A 246 3.635 -3.564 1.965 1.00 15.00 O ATOM 226 CB ILE A 246 3.952 -4.046 4.811 1.00 15.00 C ATOM 227 CG1 ILE A 246 5.310 -4.161 4.099 1.00 15.00 C ATOM 228 CG2 ILE A 246 3.998 -4.730 6.170 1.00 15.00 C ATOM 229 CD1 ILE A 246 6.489 -3.716 4.941 1.00 15.00 C ATOM 0 H ILE A 246 3.967 -6.348 3.583 1.00 15.00 H new ATOM 0 HA ILE A 246 1.892 -4.527 4.541 1.00 15.00 H new ATOM 0 HB ILE A 246 3.749 -2.984 4.952 1.00 15.00 H new ATOM 0 HG12 ILE A 246 5.463 -5.197 3.797 1.00 15.00 H new ATOM 0 HG13 ILE A 246 5.282 -3.564 3.187 1.00 15.00 H new ATOM 0 HG21 ILE A 246 4.806 -4.304 6.765 1.00 15.00 H new ATOM 0 HG22 ILE A 246 3.050 -4.579 6.686 1.00 15.00 H new ATOM 0 HG23 ILE A 246 4.172 -5.798 6.034 1.00 15.00 H new ATOM 0 HD11 ILE A 246 7.409 -3.828 4.367 1.00 15.00 H new ATOM 0 HD12 ILE A 246 6.362 -2.671 5.222 1.00 15.00 H new ATOM 0 HD13 ILE A 246 6.546 -4.329 5.841 1.00 15.00 H new ATOM 241 N TYR A 247 1.421 -3.671 2.226 1.00 15.00 N ATOM 242 CA TYR A 247 1.145 -3.157 0.894 1.00 15.00 C ATOM 243 C TYR A 247 1.140 -1.631 0.896 1.00 15.00 C ATOM 244 O TYR A 247 0.801 -1.004 1.896 1.00 15.00 O ATOM 245 CB TYR A 247 -0.199 -3.698 0.368 1.00 15.00 C ATOM 246 CG TYR A 247 -1.406 -3.010 0.960 1.00 15.00 C ATOM 247 CD1 TYR A 247 -1.731 -1.723 0.568 1.00 15.00 C ATOM 248 CD2 TYR A 247 -2.200 -3.631 1.913 1.00 15.00 C ATOM 249 CE1 TYR A 247 -2.796 -1.057 1.100 1.00 15.00 C ATOM 250 CE2 TYR A 247 -3.285 -2.980 2.465 1.00 15.00 C ATOM 251 CZ TYR A 247 -3.581 -1.681 2.057 1.00 15.00 C ATOM 252 OH TYR A 247 -4.661 -1.016 2.598 1.00 15.00 O ATOM 0 H TYR A 247 0.594 -3.828 2.802 1.00 15.00 H new ATOM 0 HA TYR A 247 1.937 -3.499 0.228 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -0.225 -3.588 -0.716 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -0.259 -4.765 0.582 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -1.125 -1.233 -0.179 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -1.966 -4.637 2.227 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -3.026 -0.052 0.778 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -3.898 -3.472 3.205 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.482 -1.307 2.150 1.00 15.00 H new ATOM 262 N TYR A 248 1.506 -1.056 -0.233 1.00 15.00 N ATOM 263 CA TYR A 248 1.512 0.386 -0.430 1.00 15.00 C ATOM 264 C TYR A 248 0.517 0.794 -1.514 1.00 15.00 C ATOM 265 O TYR A 248 0.668 0.428 -2.676 1.00 15.00 O ATOM 266 CB TYR A 248 2.923 0.819 -0.762 1.00 15.00 C ATOM 267 CG TYR A 248 3.793 0.917 0.461 1.00 15.00 C ATOM 268 CD1 TYR A 248 4.446 -0.204 0.966 1.00 15.00 C ATOM 269 CD2 TYR A 248 3.994 2.141 1.100 1.00 15.00 C ATOM 270 CE1 TYR A 248 5.262 -0.108 2.068 1.00 15.00 C ATOM 271 CE2 TYR A 248 4.815 2.236 2.191 1.00 15.00 C ATOM 272 CZ TYR A 248 5.447 1.112 2.676 1.00 15.00 C ATOM 273 OH TYR A 248 6.274 1.207 3.771 1.00 15.00 O ATOM 0 H TYR A 248 1.812 -1.582 -1.052 1.00 15.00 H new ATOM 0 HA TYR A 248 1.194 0.889 0.483 1.00 15.00 H new ATOM 0 HB2 TYR A 248 3.363 0.109 -1.462 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.895 1.786 -1.264 1.00 15.00 H new ATOM 0 HD1 TYR A 248 4.310 -1.162 0.486 1.00 15.00 H new ATOM 0 HD2 TYR A 248 3.496 3.024 0.729 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.756 -0.987 2.455 1.00 15.00 H new ATOM 0 HE2 TYR A 248 4.967 3.191 2.671 1.00 15.00 H new ATOM 0 HH TYR A 248 5.963 1.930 4.354 1.00 15.00 H new ATOM 283 N ILE A 249 -0.526 1.531 -1.129 1.00 15.00 N ATOM 284 CA ILE A 249 -1.452 2.115 -2.104 1.00 15.00 C ATOM 285 C ILE A 249 -1.552 3.618 -1.909 1.00 15.00 C ATOM 286 O ILE A 249 -1.664 4.106 -0.781 1.00 15.00 O ATOM 287 CB ILE A 249 -2.875 1.522 -2.038 1.00 15.00 C ATOM 288 CG1 ILE A 249 -3.461 1.666 -0.634 1.00 15.00 C ATOM 289 CG2 ILE A 249 -2.886 0.075 -2.496 1.00 15.00 C ATOM 290 CD1 ILE A 249 -4.802 0.991 -0.472 1.00 15.00 C ATOM 0 H ILE A 249 -0.751 1.738 -0.156 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.035 1.873 -3.082 1.00 15.00 H new ATOM 0 HB ILE A 249 -3.508 2.087 -2.722 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -2.761 1.246 0.089 1.00 15.00 H new ATOM 0 HG13 ILE A 249 -3.565 2.725 -0.398 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.901 -0.317 -2.439 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -2.532 0.016 -3.525 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.233 -0.515 -1.853 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -5.160 1.132 0.548 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -5.516 1.427 -1.171 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -4.700 -0.075 -0.676 1.00 15.00 H new ATOM 302 N ASN A 250 -1.504 4.352 -3.003 1.00 15.00 N ATOM 303 CA ASN A 250 -1.567 5.801 -2.938 1.00 15.00 C ATOM 304 C ASN A 250 -2.792 6.305 -3.675 1.00 15.00 C ATOM 305 O ASN A 250 -3.056 5.882 -4.802 1.00 15.00 O ATOM 306 CB ASN A 250 -0.320 6.430 -3.558 1.00 15.00 C ATOM 307 CG ASN A 250 -0.132 7.883 -3.140 1.00 15.00 C ATOM 308 OD1 ASN A 250 -1.064 8.537 -2.688 1.00 15.00 O ATOM 309 ND2 ASN A 250 1.067 8.406 -3.313 1.00 15.00 N ATOM 0 H ASN A 250 -1.422 3.972 -3.946 1.00 15.00 H new ATOM 0 HA ASN A 250 -1.625 6.086 -1.887 1.00 15.00 H new ATOM 0 HB2 ASN A 250 0.558 5.854 -3.265 1.00 15.00 H new ATOM 0 HB3 ASN A 250 -0.390 6.374 -4.644 1.00 15.00 H new ATOM 0 HD21 ASN A 250 1.238 9.381 -3.068 1.00 15.00 H new ATOM 0 HD22 ASN A 250 1.823 7.835 -3.692 1.00 15.00 H new ATOM 316 N HIS A 251 -3.514 7.221 -3.041 1.00 15.00 N ATOM 317 CA HIS A 251 -4.637 7.900 -3.673 1.00 15.00 C ATOM 318 C HIS A 251 -4.137 9.013 -4.588 1.00 15.00 C ATOM 319 O HIS A 251 -4.876 9.524 -5.427 1.00 15.00 O ATOM 320 CB HIS A 251 -5.592 8.469 -2.616 1.00 15.00 C ATOM 321 CG HIS A 251 -6.549 7.464 -2.046 1.00 15.00 C ATOM 322 ND1 HIS A 251 -7.884 7.325 -2.220 1.00 15.00 N flip ATOM 323 CD2 HIS A 251 -6.176 6.458 -1.179 1.00 15.00 C flip ATOM 324 CE1 HIS A 251 -8.292 6.255 -1.462 1.00 15.00 C flip ATOM 325 NE2 HIS A 251 -7.241 5.750 -0.845 1.00 15.00 N flip ATOM 0 H HIS A 251 -3.338 7.512 -2.079 1.00 15.00 H new ATOM 0 HA HIS A 251 -5.183 7.172 -4.273 1.00 15.00 H new ATOM 0 HB2 HIS A 251 -5.004 8.895 -1.803 1.00 15.00 H new ATOM 0 HB3 HIS A 251 -6.162 9.286 -3.060 1.00 15.00 H new ATOM 0 HD1 HIS A 251 -8.479 7.909 -2.808 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -5.171 6.277 -0.828 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -9.305 5.888 -1.384 1.00 15.00 H new ATOM 334 N LYS A 252 -2.879 9.399 -4.404 1.00 15.00 N ATOM 335 CA LYS A 252 -2.242 10.384 -5.269 1.00 15.00 C ATOM 336 C LYS A 252 -1.573 9.685 -6.448 1.00 15.00 C ATOM 337 O LYS A 252 -1.364 10.279 -7.505 1.00 15.00 O ATOM 338 CB LYS A 252 -1.198 11.203 -4.501 1.00 15.00 C ATOM 339 CG LYS A 252 -1.719 11.826 -3.213 1.00 15.00 C ATOM 340 CD LYS A 252 -2.819 12.838 -3.474 1.00 15.00 C ATOM 341 CE LYS A 252 -3.341 13.437 -2.177 1.00 15.00 C ATOM 342 NZ LYS A 252 -2.279 14.162 -1.427 1.00 15.00 N1+ ATOM 0 H LYS A 252 -2.279 9.043 -3.660 1.00 15.00 H new ATOM 0 HA LYS A 252 -3.014 11.062 -5.632 1.00 15.00 H new ATOM 0 HB2 LYS A 252 -0.351 10.560 -4.264 1.00 15.00 H new ATOM 0 HB3 LYS A 252 -0.825 11.995 -5.150 1.00 15.00 H new ATOM 0 HG2 LYS A 252 -2.097 11.041 -2.558 1.00 15.00 H new ATOM 0 HG3 LYS A 252 -0.897 12.312 -2.687 1.00 15.00 H new ATOM 0 HD2 LYS A 252 -2.440 13.632 -4.117 1.00 15.00 H new ATOM 0 HD3 LYS A 252 -3.638 12.358 -4.010 1.00 15.00 H new ATOM 0 HE2 LYS A 252 -4.160 14.122 -2.398 1.00 15.00 H new ATOM 0 HE3 LYS A 252 -3.749 12.644 -1.551 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 -2.714 14.734 -0.675 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 -1.622 13.475 -1.004 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 -1.758 14.784 -2.077 1.00 15.00 H new ATOM 356 N ASN A 253 -1.208 8.422 -6.243 1.00 15.00 N ATOM 357 CA ASN A 253 -0.627 7.614 -7.309 1.00 15.00 C ATOM 358 C ASN A 253 -1.709 6.806 -8.009 1.00 15.00 C ATOM 359 O ASN A 253 -1.512 6.328 -9.125 1.00 15.00 O ATOM 360 CB ASN A 253 0.475 6.674 -6.784 1.00 15.00 C ATOM 361 CG ASN A 253 1.837 7.344 -6.734 1.00 15.00 C ATOM 362 OD1 ASN A 253 2.247 7.869 -5.702 1.00 15.00 O ATOM 363 ND2 ASN A 253 2.540 7.352 -7.855 1.00 15.00 N ATOM 0 H ASN A 253 -1.304 7.938 -5.350 1.00 15.00 H new ATOM 0 HA ASN A 253 -0.167 8.299 -8.022 1.00 15.00 H new ATOM 0 HB2 ASN A 253 0.207 6.328 -5.786 1.00 15.00 H new ATOM 0 HB3 ASN A 253 0.531 5.793 -7.423 1.00 15.00 H new ATOM 0 HD21 ASN A 253 3.454 7.804 -7.881 1.00 15.00 H new ATOM 0 HD22 ASN A 253 2.168 6.906 -8.693 1.00 15.00 H new ATOM 370 N LYS A 254 -2.841 6.645 -7.324 1.00 15.00 N ATOM 371 CA LYS A 254 -3.984 5.899 -7.848 1.00 15.00 C ATOM 372 C LYS A 254 -3.574 4.458 -8.182 1.00 15.00 C ATOM 373 O LYS A 254 -4.183 3.796 -9.017 1.00 15.00 O ATOM 374 CB LYS A 254 -4.553 6.628 -9.080 1.00 15.00 C ATOM 375 CG LYS A 254 -5.825 6.008 -9.642 1.00 15.00 C ATOM 376 CD LYS A 254 -6.436 6.865 -10.733 1.00 15.00 C ATOM 377 CE LYS A 254 -7.586 6.152 -11.425 1.00 15.00 C ATOM 378 NZ LYS A 254 -7.131 4.939 -12.163 1.00 15.00 N1+ ATOM 0 H LYS A 254 -2.991 7.028 -6.391 1.00 15.00 H new ATOM 0 HA LYS A 254 -4.766 5.848 -7.090 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -4.756 7.665 -8.813 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -3.794 6.643 -9.862 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -5.601 5.018 -10.040 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -6.549 5.872 -8.838 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -6.793 7.801 -10.304 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -5.672 7.121 -11.467 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -8.333 5.866 -10.684 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -8.072 6.837 -12.120 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -7.864 4.650 -12.842 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -6.251 5.153 -12.674 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -6.960 4.166 -11.489 1.00 15.00 H new ATOM 392 N THR A 255 -2.584 3.937 -7.471 1.00 15.00 N ATOM 393 CA THR A 255 -2.031 2.638 -7.837 1.00 15.00 C ATOM 394 C THR A 255 -1.682 1.753 -6.682 1.00 15.00 C ATOM 395 O THR A 255 -1.370 2.184 -5.568 1.00 15.00 O ATOM 396 CB THR A 255 -0.828 2.671 -8.791 1.00 15.00 C ATOM 397 OG1 THR A 255 -0.286 1.356 -8.988 1.00 15.00 O ATOM 398 CG2 THR A 255 0.270 3.594 -8.291 1.00 15.00 C ATOM 0 H THR A 255 -2.155 4.379 -6.658 1.00 15.00 H new ATOM 0 HA THR A 255 -2.880 2.211 -8.372 1.00 15.00 H new ATOM 0 HB THR A 255 -1.198 3.056 -9.741 1.00 15.00 H new ATOM 0 HG1 THR A 255 0.477 1.405 -9.600 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.101 3.586 -8.996 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.120 4.608 -8.201 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.618 3.251 -7.317 1.00 15.00 H new ATOM 406 N THR A 256 -1.785 0.501 -7.012 1.00 15.00 N ATOM 407 CA THR A 256 -1.543 -0.592 -6.099 1.00 15.00 C ATOM 408 C THR A 256 -0.085 -1.051 -6.195 1.00 15.00 C ATOM 409 O THR A 256 0.384 -1.441 -7.266 1.00 15.00 O ATOM 410 CB THR A 256 -2.466 -1.769 -6.432 1.00 15.00 C ATOM 411 OG1 THR A 256 -3.817 -1.307 -6.563 1.00 15.00 O ATOM 412 CG2 THR A 256 -2.392 -2.826 -5.352 1.00 15.00 C ATOM 0 H THR A 256 -2.047 0.196 -7.949 1.00 15.00 H new ATOM 0 HA THR A 256 -1.745 -0.246 -5.085 1.00 15.00 H new ATOM 0 HB THR A 256 -2.139 -2.209 -7.374 1.00 15.00 H new ATOM 0 HG1 THR A 256 -4.248 -1.766 -7.314 1.00 15.00 H new ATOM 0 HG21 THR A 256 -3.054 -3.653 -5.607 1.00 15.00 H new ATOM 0 HG22 THR A 256 -1.369 -3.192 -5.271 1.00 15.00 H new ATOM 0 HG23 THR A 256 -2.700 -2.395 -4.399 1.00 15.00 H new ATOM 420 N SER A 257 0.624 -0.999 -5.079 1.00 15.00 N ATOM 421 CA SER A 257 2.033 -1.358 -5.034 1.00 15.00 C ATOM 422 C SER A 257 2.290 -2.323 -3.868 1.00 15.00 C ATOM 423 O SER A 257 1.692 -2.189 -2.801 1.00 15.00 O ATOM 424 CB SER A 257 2.865 -0.072 -4.896 1.00 15.00 C ATOM 425 OG SER A 257 4.254 -0.348 -4.767 1.00 15.00 O ATOM 0 H SER A 257 0.240 -0.707 -4.180 1.00 15.00 H new ATOM 0 HA SER A 257 2.325 -1.868 -5.952 1.00 15.00 H new ATOM 0 HB2 SER A 257 2.701 0.562 -5.768 1.00 15.00 H new ATOM 0 HB3 SER A 257 2.524 0.489 -4.026 1.00 15.00 H new ATOM 0 HG SER A 257 4.748 0.494 -4.683 1.00 15.00 H new ATOM 431 N TRP A 258 3.182 -3.289 -4.074 1.00 15.00 N ATOM 432 CA TRP A 258 3.463 -4.301 -3.054 1.00 15.00 C ATOM 433 C TRP A 258 4.285 -3.748 -1.896 1.00 15.00 C ATOM 434 O TRP A 258 3.780 -3.547 -0.799 1.00 15.00 O ATOM 435 CB TRP A 258 4.241 -5.482 -3.650 1.00 15.00 C ATOM 436 CG TRP A 258 3.395 -6.593 -4.193 1.00 15.00 C ATOM 437 CD1 TRP A 258 3.529 -7.198 -5.405 1.00 15.00 C ATOM 438 CD2 TRP A 258 2.296 -7.241 -3.542 1.00 15.00 C ATOM 439 NE1 TRP A 258 2.592 -8.189 -5.550 1.00 15.00 N ATOM 440 CE2 TRP A 258 1.819 -8.231 -4.424 1.00 15.00 C ATOM 441 CE3 TRP A 258 1.667 -7.082 -2.303 1.00 15.00 C ATOM 442 CZ2 TRP A 258 0.746 -9.053 -4.105 1.00 15.00 C ATOM 443 CZ3 TRP A 258 0.593 -7.895 -1.996 1.00 15.00 C ATOM 444 CH2 TRP A 258 0.147 -8.871 -2.896 1.00 15.00 C ATOM 0 H TRP A 258 3.721 -3.394 -4.933 1.00 15.00 H new ATOM 0 HA TRP A 258 2.490 -4.625 -2.684 1.00 15.00 H new ATOM 0 HB2 TRP A 258 4.880 -5.109 -4.450 1.00 15.00 H new ATOM 0 HB3 TRP A 258 4.898 -5.889 -2.881 1.00 15.00 H new ATOM 0 HD1 TRP A 258 4.268 -6.935 -6.147 1.00 15.00 H new ATOM 0 HE1 TRP A 258 2.489 -8.795 -6.364 1.00 15.00 H new ATOM 0 HE3 TRP A 258 2.014 -6.339 -1.600 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 0.399 -9.810 -4.792 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 0.090 -7.776 -1.048 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -0.692 -9.494 -2.624 1.00 15.00 H new ATOM 455 N LEU A 259 5.543 -3.456 -2.182 1.00 15.00 N ATOM 456 CA LEU A 259 6.558 -3.297 -1.150 1.00 15.00 C ATOM 457 C LEU A 259 7.083 -1.871 -1.011 1.00 15.00 C ATOM 458 O LEU A 259 6.933 -1.046 -1.916 1.00 15.00 O ATOM 459 CB LEU A 259 7.706 -4.274 -1.321 1.00 15.00 C ATOM 460 CG LEU A 259 7.636 -5.489 -0.391 1.00 15.00 C ATOM 461 CD1 LEU A 259 8.985 -6.178 -0.359 1.00 15.00 C ATOM 462 CD2 LEU A 259 7.217 -5.070 1.019 1.00 15.00 C ATOM 0 H LEU A 259 5.890 -3.323 -3.132 1.00 15.00 H new ATOM 0 HA LEU A 259 6.043 -3.528 -0.218 1.00 15.00 H new ATOM 0 HB2 LEU A 259 7.723 -4.621 -2.354 1.00 15.00 H new ATOM 0 HB3 LEU A 259 8.645 -3.749 -1.146 1.00 15.00 H new ATOM 0 HG LEU A 259 6.886 -6.183 -0.771 1.00 15.00 H new ATOM 0 HD11 LEU A 259 8.936 -7.043 0.303 1.00 15.00 H new ATOM 0 HD12 LEU A 259 9.251 -6.505 -1.364 1.00 15.00 H new ATOM 0 HD13 LEU A 259 9.740 -5.483 0.008 1.00 15.00 H new ATOM 0 HD21 LEU A 259 7.174 -5.949 1.662 1.00 15.00 H new ATOM 0 HD22 LEU A 259 7.943 -4.363 1.419 1.00 15.00 H new ATOM 0 HD23 LEU A 259 6.235 -4.599 0.982 1.00 15.00 H new ATOM 474 N ASP A 260 7.708 -1.604 0.142 1.00 15.00 N ATOM 475 CA ASP A 260 7.950 -0.263 0.639 1.00 15.00 C ATOM 476 C ASP A 260 8.780 0.588 -0.306 1.00 15.00 C ATOM 477 O ASP A 260 9.909 0.259 -0.666 1.00 15.00 O ATOM 478 CB ASP A 260 8.657 -0.350 1.993 1.00 15.00 C ATOM 479 CG ASP A 260 9.945 -1.145 1.938 1.00 15.00 C ATOM 480 OD1 ASP A 260 9.881 -2.374 1.739 1.00 15.00 O ATOM 481 OD2 ASP A 260 11.018 -0.542 2.118 1.00 15.00 O1- ATOM 0 H ASP A 260 8.062 -2.334 0.760 1.00 15.00 H new ATOM 0 HA ASP A 260 6.979 0.223 0.731 1.00 15.00 H new ATOM 0 HB2 ASP A 260 8.873 0.657 2.349 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.985 -0.807 2.719 1.00 15.00 H new ATOM 486 N PRO A 261 8.194 1.725 -0.700 1.00 15.00 N ATOM 487 CA PRO A 261 8.794 2.696 -1.585 1.00 15.00 C ATOM 488 C PRO A 261 9.668 3.652 -0.880 1.00 15.00 C ATOM 489 O PRO A 261 10.376 4.514 -1.397 1.00 15.00 O ATOM 490 CB PRO A 261 7.600 3.300 -2.314 1.00 15.00 C ATOM 491 CG PRO A 261 6.553 3.335 -1.239 1.00 15.00 C ATOM 492 CD PRO A 261 6.832 2.150 -0.337 1.00 15.00 C ATOM 0 HA PRO A 261 9.498 2.264 -2.296 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.820 4.295 -2.700 1.00 15.00 H new ATOM 0 HB3 PRO A 261 7.291 2.690 -3.163 1.00 15.00 H new ATOM 0 HG2 PRO A 261 6.601 4.269 -0.680 1.00 15.00 H new ATOM 0 HG3 PRO A 261 5.553 3.271 -1.668 1.00 15.00 H new ATOM 0 HD2 PRO A 261 6.770 2.428 0.715 1.00 15.00 H new ATOM 0 HD3 PRO A 261 6.110 1.350 -0.498 1.00 15.00 H new ATOM 500 N ARG A 262 9.497 3.426 0.301 1.00 15.00 N ATOM 501 CA ARG A 262 10.002 4.240 1.409 1.00 15.00 C ATOM 502 C ARG A 262 11.452 3.893 1.723 1.00 15.00 C ATOM 503 O ARG A 262 12.109 4.577 2.509 1.00 15.00 O ATOM 504 CB ARG A 262 9.125 4.074 2.664 1.00 15.00 C ATOM 505 CG ARG A 262 9.123 2.669 3.254 1.00 15.00 C ATOM 506 CD ARG A 262 10.261 2.445 4.245 1.00 15.00 C ATOM 507 NE ARG A 262 10.793 1.088 4.148 1.00 15.00 N ATOM 508 CZ ARG A 262 11.100 0.307 5.185 1.00 15.00 C ATOM 509 NH1 ARG A 262 10.890 0.715 6.429 1.00 15.00 N1+ ATOM 510 NH2 ARG A 262 11.609 -0.898 4.957 1.00 15.00 N ATOM 0 H ARG A 262 8.966 2.617 0.623 1.00 15.00 H new ATOM 0 HA ARG A 262 9.958 5.284 1.099 1.00 15.00 H new ATOM 0 HB2 ARG A 262 9.468 4.774 3.426 1.00 15.00 H new ATOM 0 HB3 ARG A 262 8.101 4.351 2.415 1.00 15.00 H new ATOM 0 HG2 ARG A 262 8.171 2.491 3.754 1.00 15.00 H new ATOM 0 HG3 ARG A 262 9.201 1.940 2.447 1.00 15.00 H new ATOM 0 HD2 ARG A 262 11.058 3.164 4.055 1.00 15.00 H new ATOM 0 HD3 ARG A 262 9.904 2.626 5.259 1.00 15.00 H new ATOM 0 HE ARG A 262 10.941 0.707 3.213 1.00 15.00 H new ATOM 0 HH11 ARG A 262 10.489 1.637 6.603 1.00 15.00 H new ATOM 0 HH12 ARG A 262 11.130 0.107 7.212 1.00 15.00 H new ATOM 0 HH21 ARG A 262 11.760 -1.215 3.999 1.00 15.00 H new ATOM 0 HH22 ARG A 262 11.849 -1.507 5.740 1.00 15.00 H new ATOM 524 N LEU A 263 11.935 2.817 1.119 1.00 15.00 N ATOM 525 CA LEU A 263 13.295 2.358 1.334 1.00 15.00 C ATOM 526 C LEU A 263 14.259 3.240 0.551 1.00 15.00 C ATOM 527 O LEU A 263 15.050 3.967 1.183 1.00 15.00 O ATOM 528 CB LEU A 263 13.417 0.882 0.917 1.00 15.00 C ATOM 529 CG LEU A 263 14.681 0.147 1.392 1.00 15.00 C ATOM 530 CD1 LEU A 263 14.479 -1.353 1.298 1.00 15.00 C ATOM 531 CD2 LEU A 263 15.900 0.550 0.570 1.00 15.00 C ATOM 532 OXT LEU A 263 14.189 3.231 -0.695 1.00 15.00 O ATOM 0 H LEU A 263 11.397 2.242 0.470 1.00 15.00 H new ATOM 0 HA LEU A 263 13.550 2.431 2.391 1.00 15.00 H new ATOM 0 HB2 LEU A 263 12.546 0.346 1.294 1.00 15.00 H new ATOM 0 HB3 LEU A 263 13.378 0.829 -0.171 1.00 15.00 H new ATOM 0 HG LEU A 263 14.859 0.428 2.430 1.00 15.00 H new ATOM 0 HD11 LEU A 263 15.380 -1.863 1.637 1.00 15.00 H new ATOM 0 HD12 LEU A 263 13.638 -1.647 1.926 1.00 15.00 H new ATOM 0 HD13 LEU A 263 14.273 -1.628 0.264 1.00 15.00 H new ATOM 0 HD21 LEU A 263 16.777 0.012 0.932 1.00 15.00 H new ATOM 0 HD22 LEU A 263 15.730 0.303 -0.478 1.00 15.00 H new ATOM 0 HD23 LEU A 263 16.066 1.623 0.668 1.00 15.00 H new ATOM 545 N THR B 222 -0.106 -13.727 -6.823 1.00 15.00 N ATOM 546 CA THR B 222 -1.337 -12.934 -7.007 1.00 15.00 C ATOM 547 C THR B 222 -1.037 -11.440 -6.910 1.00 15.00 C ATOM 548 O THR B 222 0.017 -11.056 -6.402 1.00 15.00 O ATOM 549 CB THR B 222 -2.381 -13.312 -5.939 1.00 15.00 C ATOM 550 OG1 THR B 222 -1.728 -13.528 -4.680 1.00 15.00 O ATOM 551 CG2 THR B 222 -3.150 -14.558 -6.343 1.00 15.00 C ATOM 0 HA THR B 222 -1.734 -13.154 -7.998 1.00 15.00 H new ATOM 0 HB THR B 222 -3.091 -12.490 -5.847 1.00 15.00 H new ATOM 0 HG1 THR B 222 -0.835 -13.901 -4.834 1.00 15.00 H new ATOM 0 HG21 THR B 222 -3.880 -14.801 -5.571 1.00 15.00 H new ATOM 0 HG22 THR B 222 -3.666 -14.377 -7.286 1.00 15.00 H new ATOM 0 HG23 THR B 222 -2.457 -15.391 -6.463 1.00 15.00 H new ATOM 561 N PRO B 223 -1.932 -10.582 -7.426 1.00 15.00 N ATOM 562 CA PRO B 223 -1.841 -9.136 -7.222 1.00 15.00 C ATOM 563 C PRO B 223 -2.170 -8.765 -5.773 1.00 15.00 C ATOM 564 O PRO B 223 -2.679 -9.596 -5.017 1.00 15.00 O ATOM 565 CB PRO B 223 -2.904 -8.560 -8.178 1.00 15.00 C ATOM 566 CG PRO B 223 -3.296 -9.686 -9.070 1.00 15.00 C ATOM 567 CD PRO B 223 -3.079 -10.934 -8.272 1.00 15.00 C ATOM 0 HA PRO B 223 -0.840 -8.750 -7.415 1.00 15.00 H new ATOM 0 HB2 PRO B 223 -3.764 -8.181 -7.625 1.00 15.00 H new ATOM 0 HB3 PRO B 223 -2.502 -7.726 -8.754 1.00 15.00 H new ATOM 0 HG2 PRO B 223 -4.337 -9.596 -9.379 1.00 15.00 H new ATOM 0 HG3 PRO B 223 -2.694 -9.693 -9.978 1.00 15.00 H new ATOM 0 HD2 PRO B 223 -3.956 -11.192 -7.678 1.00 15.00 H new ATOM 0 HD3 PRO B 223 -2.863 -11.790 -8.911 1.00 15.00 H new ATOM 575 N PRO B 224 -1.924 -7.510 -5.370 1.00 15.00 N ATOM 576 CA PRO B 224 -2.208 -7.034 -4.027 1.00 15.00 C ATOM 577 C PRO B 224 -3.638 -6.507 -3.959 1.00 15.00 C ATOM 578 O PRO B 224 -4.330 -6.493 -4.982 1.00 15.00 O ATOM 579 CB PRO B 224 -1.171 -5.900 -3.843 1.00 15.00 C ATOM 580 CG PRO B 224 -0.616 -5.614 -5.209 1.00 15.00 C ATOM 581 CD PRO B 224 -1.430 -6.411 -6.183 1.00 15.00 C ATOM 0 HA PRO B 224 -2.135 -7.798 -3.253 1.00 15.00 H new ATOM 0 HB2 PRO B 224 -1.638 -5.011 -3.418 1.00 15.00 H new ATOM 0 HB3 PRO B 224 -0.380 -6.203 -3.157 1.00 15.00 H new ATOM 0 HG2 PRO B 224 -0.676 -4.549 -5.435 1.00 15.00 H new ATOM 0 HG3 PRO B 224 0.436 -5.893 -5.265 1.00 15.00 H new ATOM 0 HD2 PRO B 224 -2.245 -5.823 -6.605 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -0.827 -6.766 -7.019 1.00 15.00 H new ATOM 589 N PRO B 225 -4.131 -6.101 -2.778 1.00 15.00 N ATOM 590 CA PRO B 225 -5.423 -5.425 -2.690 1.00 15.00 C ATOM 591 C PRO B 225 -5.469 -4.238 -3.648 1.00 15.00 C ATOM 592 O PRO B 225 -4.646 -3.329 -3.547 1.00 15.00 O ATOM 593 CB PRO B 225 -5.487 -4.959 -1.234 1.00 15.00 C ATOM 594 CG PRO B 225 -4.606 -5.907 -0.498 1.00 15.00 C ATOM 595 CD PRO B 225 -3.505 -6.279 -1.456 1.00 15.00 C ATOM 0 HA PRO B 225 -6.262 -6.065 -2.962 1.00 15.00 H new ATOM 0 HB2 PRO B 225 -5.138 -3.932 -1.131 1.00 15.00 H new ATOM 0 HB3 PRO B 225 -6.508 -4.989 -0.853 1.00 15.00 H new ATOM 0 HG2 PRO B 225 -4.201 -5.444 0.402 1.00 15.00 H new ATOM 0 HG3 PRO B 225 -5.161 -6.789 -0.180 1.00 15.00 H new ATOM 0 HD2 PRO B 225 -2.632 -5.637 -1.335 1.00 15.00 H new ATOM 0 HD3 PRO B 225 -3.170 -7.305 -1.305 1.00 15.00 H new ATOM 603 N ALA B 226 -6.417 -4.275 -4.585 1.00 15.00 N ATOM 604 CA ALA B 226 -6.496 -3.289 -5.666 1.00 15.00 C ATOM 605 C ALA B 226 -6.647 -1.868 -5.133 1.00 15.00 C ATOM 606 O ALA B 226 -6.700 -1.652 -3.923 1.00 15.00 O ATOM 607 CB ALA B 226 -7.643 -3.633 -6.604 1.00 15.00 C ATOM 0 H ALA B 226 -7.149 -4.985 -4.617 1.00 15.00 H new ATOM 0 HA ALA B 226 -5.557 -3.327 -6.219 1.00 15.00 H new ATOM 0 HB1 ALA B 226 -7.693 -2.894 -7.404 1.00 15.00 H new ATOM 0 HB2 ALA B 226 -7.478 -4.621 -7.033 1.00 15.00 H new ATOM 0 HB3 ALA B 226 -8.581 -3.630 -6.048 1.00 15.00 H new ATOM 613 N TYR B 227 -6.730 -0.891 -6.034 1.00 15.00 N ATOM 614 CA TYR B 227 -6.793 0.498 -5.609 1.00 15.00 C ATOM 615 C TYR B 227 -8.138 0.782 -4.934 1.00 15.00 C ATOM 616 O TYR B 227 -9.177 0.974 -5.571 1.00 15.00 O ATOM 617 CB TYR B 227 -6.491 1.468 -6.759 1.00 15.00 C ATOM 618 CG TYR B 227 -6.643 2.913 -6.359 1.00 15.00 C ATOM 619 CD1 TYR B 227 -6.013 3.392 -5.221 1.00 15.00 C ATOM 620 CD2 TYR B 227 -7.414 3.793 -7.107 1.00 15.00 C ATOM 621 CE1 TYR B 227 -6.144 4.705 -4.834 1.00 15.00 C ATOM 622 CE2 TYR B 227 -7.550 5.111 -6.728 1.00 15.00 C ATOM 623 CZ TYR B 227 -6.916 5.564 -5.591 1.00 15.00 C ATOM 624 OH TYR B 227 -7.047 6.879 -5.217 1.00 15.00 O ATOM 0 H TYR B 227 -6.755 -1.035 -7.044 1.00 15.00 H new ATOM 0 HA TYR B 227 -6.009 0.667 -4.871 1.00 15.00 H new ATOM 0 HB2 TYR B 227 -5.474 1.299 -7.113 1.00 15.00 H new ATOM 0 HB3 TYR B 227 -7.159 1.254 -7.593 1.00 15.00 H new ATOM 0 HD1 TYR B 227 -5.408 2.722 -4.628 1.00 15.00 H new ATOM 0 HD2 TYR B 227 -7.913 3.440 -7.997 1.00 15.00 H new ATOM 0 HE1 TYR B 227 -5.647 5.062 -3.944 1.00 15.00 H new ATOM 0 HE2 TYR B 227 -8.151 5.786 -7.319 1.00 15.00 H new ATOM 0 HH TYR B 227 -7.623 7.346 -5.858 1.00 15.00 H new ATOM 634 N LEU B 228 -8.047 0.761 -3.618 1.00 15.00 N ATOM 635 CA LEU B 228 -9.154 0.690 -2.675 1.00 15.00 C ATOM 636 C LEU B 228 -8.691 1.417 -1.428 1.00 15.00 C ATOM 637 O LEU B 228 -7.496 1.463 -1.195 1.00 15.00 O ATOM 638 CB LEU B 228 -9.537 -0.761 -2.321 1.00 15.00 C ATOM 639 CG LEU B 228 -10.604 -1.429 -3.207 1.00 15.00 C ATOM 640 CD1 LEU B 228 -11.791 -0.502 -3.422 1.00 15.00 C ATOM 641 CD2 LEU B 228 -10.023 -1.886 -4.536 1.00 15.00 C ATOM 0 H LEU B 228 -7.143 0.795 -3.147 1.00 15.00 H new ATOM 0 HA LEU B 228 -10.044 1.139 -3.115 1.00 15.00 H new ATOM 0 HB2 LEU B 228 -8.634 -1.370 -2.358 1.00 15.00 H new ATOM 0 HB3 LEU B 228 -9.891 -0.778 -1.290 1.00 15.00 H new ATOM 0 HG LEU B 228 -10.956 -2.317 -2.682 1.00 15.00 H new ATOM 0 HD11 LEU B 228 -12.530 -0.998 -4.051 1.00 15.00 H new ATOM 0 HD12 LEU B 228 -12.240 -0.256 -2.460 1.00 15.00 H new ATOM 0 HD13 LEU B 228 -11.454 0.413 -3.910 1.00 15.00 H new ATOM 0 HD21 LEU B 228 -10.806 -2.353 -5.134 1.00 15.00 H new ATOM 0 HD22 LEU B 228 -9.621 -1.026 -5.072 1.00 15.00 H new ATOM 0 HD23 LEU B 228 -9.226 -2.607 -4.356 1.00 15.00 H new ATOM 653 N PRO B 229 -9.553 2.018 -0.605 1.00 15.00 N ATOM 654 CA PRO B 229 -9.074 2.853 0.481 1.00 15.00 C ATOM 655 C PRO B 229 -8.819 1.979 1.702 1.00 15.00 C ATOM 656 O PRO B 229 -9.500 0.973 1.918 1.00 15.00 O ATOM 657 CB PRO B 229 -10.247 3.816 0.735 1.00 15.00 C ATOM 658 CG PRO B 229 -11.365 3.370 -0.164 1.00 15.00 C ATOM 659 CD PRO B 229 -11.016 1.990 -0.644 1.00 15.00 C ATOM 0 HA PRO B 229 -8.145 3.379 0.262 1.00 15.00 H new ATOM 0 HB2 PRO B 229 -10.554 3.787 1.780 1.00 15.00 H new ATOM 0 HB3 PRO B 229 -9.959 4.844 0.516 1.00 15.00 H new ATOM 0 HG2 PRO B 229 -12.313 3.363 0.373 1.00 15.00 H new ATOM 0 HG3 PRO B 229 -11.480 4.054 -1.005 1.00 15.00 H new ATOM 0 HD2 PRO B 229 -11.427 1.216 0.004 1.00 15.00 H new ATOM 0 HD3 PRO B 229 -11.394 1.799 -1.648 1.00 15.00 H new ATOM 667 N PRO B 230 -7.854 2.386 2.536 1.00 15.00 N ATOM 668 CA PRO B 230 -6.905 1.479 3.172 1.00 15.00 C ATOM 669 C PRO B 230 -7.350 0.903 4.501 1.00 15.00 C ATOM 670 O PRO B 230 -8.087 1.520 5.274 1.00 15.00 O ATOM 671 CB PRO B 230 -5.672 2.371 3.379 1.00 15.00 C ATOM 672 CG PRO B 230 -6.088 3.772 3.033 1.00 15.00 C ATOM 673 CD PRO B 230 -7.584 3.765 2.923 1.00 15.00 C ATOM 0 HA PRO B 230 -6.753 0.595 2.553 1.00 15.00 H new ATOM 0 HB2 PRO B 230 -5.323 2.315 4.410 1.00 15.00 H new ATOM 0 HB3 PRO B 230 -4.848 2.045 2.745 1.00 15.00 H new ATOM 0 HG2 PRO B 230 -5.760 4.473 3.800 1.00 15.00 H new ATOM 0 HG3 PRO B 230 -5.633 4.090 2.095 1.00 15.00 H new ATOM 0 HD2 PRO B 230 -8.064 4.025 3.867 1.00 15.00 H new ATOM 0 HD3 PRO B 230 -7.941 4.475 2.177 1.00 15.00 H new ATOM 681 N GLU B 231 -6.848 -0.298 4.749 1.00 15.00 N ATOM 682 CA GLU B 231 -7.376 -1.172 5.785 1.00 15.00 C ATOM 683 C GLU B 231 -6.672 -0.962 7.114 1.00 15.00 C ATOM 684 O GLU B 231 -5.494 -0.610 7.170 1.00 15.00 O ATOM 685 CB GLU B 231 -7.313 -2.636 5.346 1.00 15.00 C ATOM 686 CG GLU B 231 -6.097 -2.993 4.559 1.00 15.00 C ATOM 687 CD GLU B 231 -6.364 -4.113 3.569 1.00 15.00 C ATOM 688 OE1 GLU B 231 -6.398 -5.294 3.987 1.00 15.00 O ATOM 689 OE2 GLU B 231 -6.561 -3.818 2.371 1.00 15.00 O1- ATOM 0 H GLU B 231 -6.061 -0.694 4.236 1.00 15.00 H new ATOM 0 HA GLU B 231 -8.423 -0.909 5.935 1.00 15.00 H new ATOM 0 HB2 GLU B 231 -7.357 -3.270 6.232 1.00 15.00 H new ATOM 0 HB3 GLU B 231 -8.196 -2.862 4.749 1.00 15.00 H new ATOM 0 HG2 GLU B 231 -5.742 -2.113 4.023 1.00 15.00 H new ATOM 0 HG3 GLU B 231 -5.301 -3.294 5.240 1.00 15.00 H new ATOM 696 N ASP B 232 -7.417 -1.204 8.175 1.00 15.00 N ATOM 697 CA ASP B 232 -7.002 -0.807 9.518 1.00 15.00 C ATOM 698 C ASP B 232 -6.538 -1.998 10.372 1.00 15.00 C ATOM 699 O ASP B 232 -5.484 -1.921 10.999 1.00 15.00 O ATOM 700 CB ASP B 232 -8.142 -0.060 10.223 1.00 15.00 C ATOM 701 CG ASP B 232 -7.685 0.663 11.475 1.00 15.00 C ATOM 702 OD1 ASP B 232 -7.280 1.839 11.364 1.00 15.00 O1- ATOM 703 OD2 ASP B 232 -7.745 0.071 12.570 1.00 15.00 O ATOM 0 H ASP B 232 -8.320 -1.677 8.138 1.00 15.00 H new ATOM 0 HA ASP B 232 -6.144 -0.145 9.405 1.00 15.00 H new ATOM 0 HB2 ASP B 232 -8.580 0.661 9.532 1.00 15.00 H new ATOM 0 HB3 ASP B 232 -8.928 -0.769 10.485 1.00 15.00 H new ATOM 708 N PRO B 233 -7.316 -3.107 10.444 1.00 15.00 N ATOM 709 CA PRO B 233 -6.940 -4.270 11.254 1.00 15.00 C ATOM 710 C PRO B 233 -5.805 -5.078 10.630 1.00 15.00 C ATOM 711 O PRO B 233 -4.625 -4.797 10.940 1.00 15.00 O ATOM 712 CB PRO B 233 -8.225 -5.115 11.318 1.00 15.00 C ATOM 713 CG PRO B 233 -9.299 -4.275 10.710 1.00 15.00 C ATOM 714 CD PRO B 233 -8.608 -3.326 9.779 1.00 15.00 C ATOM 715 OXT PRO B 233 -6.092 -6.006 9.852 1.00 15.00 O ATOM 0 HA PRO B 233 -6.570 -3.966 12.233 1.00 15.00 H new ATOM 0 HB2 PRO B 233 -8.105 -6.050 10.772 1.00 15.00 H new ATOM 0 HB3 PRO B 233 -8.470 -5.376 12.348 1.00 15.00 H new ATOM 0 HG2 PRO B 233 -10.019 -4.892 10.173 1.00 15.00 H new ATOM 0 HG3 PRO B 233 -9.852 -3.734 11.478 1.00 15.00 H new ATOM 0 HD2 PRO B 233 -8.484 -3.753 8.784 1.00 15.00 H new ATOM 0 HD3 PRO B 233 -9.165 -2.397 9.660 1.00 15.00 H new