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 : no HD1:sc= 0.944 K(o=-0.52,f=-7.5!) USER MOD Set 1.2: B 211 TYR OH : rot 180:sc= -2.37! USER MOD Set 1.3: B 214 TYR OH : rot 180:sc= 0.903 USER MOD Set 2.1: A 250 ASN : amide:sc= -0.161 K(o=-0.16,f=-9.6!) USER MOD Set 2.2: A 253 ASN : amide:sc= 0 K(o=-0.16,f=-1.9) USER MOD Single : A 238 GLN : amide:sc= -3.97! C(o=-4!,f=-6.5!) USER MOD Single : A 240 MET CE :methyl 132:sc= -0.324 (180deg=-0.828) USER MOD Single : A 241 THR OG1 : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 247 TYR OH : rot -179:sc= -1.59! USER MOD Single : A 248 TYR OH : rot 150:sc= -2.83! USER MOD Single : A 252 LYS NZ :NH3+ 159:sc= 1.34 (180deg=1.27) USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 THR OG1 : rot 160:sc= 0.00899 USER MOD Single : A 257 SER OG : rot 138:sc= 0.118 USER MOD Single : B 206 SER OG : rot 27:sc= 0.106 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 9.810 -1.114 -5.785 1.00 15.00 N ATOM 2 CA GLY A 230 11.108 -1.811 -5.618 1.00 15.00 C ATOM 3 C GLY A 230 11.397 -2.119 -4.166 1.00 15.00 C ATOM 4 O GLY A 230 10.722 -2.950 -3.558 1.00 15.00 O ATOM 0 HA2 GLY A 230 11.099 -2.738 -6.191 1.00 15.00 H new ATOM 0 HA3 GLY A 230 11.908 -1.192 -6.025 1.00 15.00 H new ATOM 10 N PRO A 231 12.409 -1.473 -3.582 1.00 15.00 N ATOM 11 CA PRO A 231 12.715 -1.618 -2.173 1.00 15.00 C ATOM 12 C PRO A 231 11.906 -0.648 -1.321 1.00 15.00 C ATOM 13 O PRO A 231 12.082 0.564 -1.405 1.00 15.00 O ATOM 14 CB PRO A 231 14.206 -1.300 -2.109 1.00 15.00 C ATOM 15 CG PRO A 231 14.464 -0.369 -3.255 1.00 15.00 C ATOM 16 CD PRO A 231 13.342 -0.554 -4.253 1.00 15.00 C ATOM 0 HA PRO A 231 12.469 -2.606 -1.785 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.468 -0.835 -1.159 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.805 -2.206 -2.197 1.00 15.00 H new ATOM 0 HG2 PRO A 231 14.503 0.664 -2.909 1.00 15.00 H new ATOM 0 HG3 PRO A 231 15.427 -0.587 -3.716 1.00 15.00 H new ATOM 0 HD2 PRO A 231 12.862 0.395 -4.493 1.00 15.00 H new ATOM 0 HD3 PRO A 231 13.708 -0.973 -5.190 1.00 15.00 H new ATOM 24 N LEU A 232 10.992 -1.180 -0.529 1.00 15.00 N ATOM 25 CA LEU A 232 10.147 -0.346 0.310 1.00 15.00 C ATOM 26 C LEU A 232 10.756 -0.146 1.685 1.00 15.00 C ATOM 27 O LEU A 232 11.636 -0.898 2.094 1.00 15.00 O ATOM 28 CB LEU A 232 8.705 -0.839 0.485 1.00 15.00 C ATOM 29 CG LEU A 232 7.744 -0.619 -0.683 1.00 15.00 C ATOM 30 CD1 LEU A 232 7.322 0.830 -0.870 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.307 -1.172 -1.975 1.00 15.00 C ATOM 0 H LEU A 232 10.816 -2.181 -0.449 1.00 15.00 H new ATOM 0 HA LEU A 232 10.094 0.595 -0.237 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.737 -1.907 0.699 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.285 -0.350 1.364 1.00 15.00 H new ATOM 0 HG LEU A 232 6.843 -1.172 -0.419 1.00 15.00 H new ATOM 0 HD11 LEU A 232 6.641 0.904 -1.718 1.00 15.00 H new ATOM 0 HD12 LEU A 232 6.820 1.182 0.031 1.00 15.00 H new ATOM 0 HD13 LEU A 232 8.203 1.444 -1.058 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.598 -0.999 -2.785 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.249 -0.673 -2.204 1.00 15.00 H new ATOM 0 HD23 LEU A 232 8.480 -2.243 -1.868 1.00 15.00 H new ATOM 43 N PRO A 233 10.299 0.883 2.417 1.00 15.00 N ATOM 44 CA PRO A 233 10.795 1.216 3.770 1.00 15.00 C ATOM 45 C PRO A 233 10.611 0.067 4.775 1.00 15.00 C ATOM 46 O PRO A 233 11.051 0.162 5.921 1.00 15.00 O ATOM 47 CB PRO A 233 9.908 2.414 4.133 1.00 15.00 C ATOM 48 CG PRO A 233 9.667 3.034 2.813 1.00 15.00 C ATOM 49 CD PRO A 233 9.247 1.848 2.019 1.00 15.00 C ATOM 0 HA PRO A 233 11.866 1.415 3.795 1.00 15.00 H new ATOM 0 HB2 PRO A 233 8.980 2.103 4.613 1.00 15.00 H new ATOM 0 HB3 PRO A 233 10.408 3.098 4.819 1.00 15.00 H new ATOM 0 HG2 PRO A 233 8.893 3.800 2.852 1.00 15.00 H new ATOM 0 HG3 PRO A 233 10.563 3.506 2.409 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.246 1.505 2.281 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.246 2.044 0.947 1.00 15.00 H new ATOM 57 N ASP A 234 9.873 -0.966 4.346 1.00 15.00 N ATOM 58 CA ASP A 234 9.733 -2.242 5.076 1.00 15.00 C ATOM 59 C ASP A 234 8.594 -2.191 6.074 1.00 15.00 C ATOM 60 O ASP A 234 8.413 -3.110 6.873 1.00 15.00 O ATOM 61 CB ASP A 234 11.032 -2.661 5.790 1.00 15.00 C ATOM 62 CG ASP A 234 12.148 -3.040 4.838 1.00 15.00 C ATOM 63 OD1 ASP A 234 12.026 -4.076 4.153 1.00 15.00 O1- ATOM 64 OD2 ASP A 234 13.157 -2.305 4.775 1.00 15.00 O ATOM 0 H ASP A 234 9.348 -0.943 3.472 1.00 15.00 H new ATOM 0 HA ASP A 234 9.509 -2.995 4.320 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.369 -1.842 6.425 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.821 -3.506 6.445 1.00 15.00 H new ATOM 69 N GLY A 235 7.802 -1.141 6.000 1.00 15.00 N ATOM 70 CA GLY A 235 6.624 -1.059 6.832 1.00 15.00 C ATOM 71 C GLY A 235 5.382 -1.505 6.095 1.00 15.00 C ATOM 72 O GLY A 235 4.361 -1.801 6.708 1.00 15.00 O ATOM 0 H GLY A 235 7.951 -0.344 5.381 1.00 15.00 H new ATOM 0 HA2 GLY A 235 6.762 -1.678 7.719 1.00 15.00 H new ATOM 0 HA3 GLY A 235 6.493 -0.033 7.176 1.00 15.00 H new ATOM 76 N TRP A 236 5.477 -1.583 4.773 1.00 15.00 N ATOM 77 CA TRP A 236 4.308 -1.830 3.942 1.00 15.00 C ATOM 78 C TRP A 236 4.567 -2.759 2.767 1.00 15.00 C ATOM 79 O TRP A 236 5.661 -2.800 2.200 1.00 15.00 O ATOM 80 CB TRP A 236 3.680 -0.521 3.444 1.00 15.00 C ATOM 81 CG TRP A 236 4.611 0.643 3.254 1.00 15.00 C ATOM 82 CD1 TRP A 236 5.951 0.628 3.005 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.233 2.025 3.310 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.421 1.907 2.923 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.392 2.781 3.100 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.024 2.694 3.521 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.387 4.173 3.098 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.017 4.074 3.517 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.192 4.802 3.307 1.00 15.00 C ATOM 0 H TRP A 236 6.350 -1.479 4.256 1.00 15.00 H new ATOM 0 HA TRP A 236 3.605 -2.343 4.598 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.186 -0.721 2.493 1.00 15.00 H new ATOM 0 HB3 TRP A 236 2.904 -0.225 4.150 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.551 -0.263 2.890 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.393 2.168 2.755 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.111 2.140 3.684 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.295 4.736 2.937 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.088 4.601 3.679 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.155 5.881 3.310 1.00 15.00 H new ATOM 100 N GLU A 237 3.505 -3.471 2.404 1.00 15.00 N ATOM 101 CA GLU A 237 3.499 -4.414 1.302 1.00 15.00 C ATOM 102 C GLU A 237 2.545 -3.909 0.218 1.00 15.00 C ATOM 103 O GLU A 237 1.527 -3.283 0.526 1.00 15.00 O ATOM 104 CB GLU A 237 3.050 -5.782 1.835 1.00 15.00 C ATOM 105 CG GLU A 237 2.722 -6.806 0.761 1.00 15.00 C ATOM 106 CD GLU A 237 3.926 -7.211 -0.068 1.00 15.00 C ATOM 107 OE1 GLU A 237 4.419 -6.388 -0.864 1.00 15.00 O ATOM 108 OE2 GLU A 237 4.376 -8.369 0.066 1.00 15.00 O1- ATOM 0 H GLU A 237 2.606 -3.403 2.882 1.00 15.00 H new ATOM 0 HA GLU A 237 4.494 -4.511 0.867 1.00 15.00 H new ATOM 0 HB2 GLU A 237 3.837 -6.184 2.473 1.00 15.00 H new ATOM 0 HB3 GLU A 237 2.171 -5.641 2.464 1.00 15.00 H new ATOM 0 HG2 GLU A 237 2.298 -7.693 1.232 1.00 15.00 H new ATOM 0 HG3 GLU A 237 1.956 -6.398 0.102 1.00 15.00 H new ATOM 115 N GLN A 238 2.851 -4.211 -1.035 1.00 15.00 N ATOM 116 CA GLN A 238 2.054 -3.738 -2.158 1.00 15.00 C ATOM 117 C GLN A 238 0.942 -4.738 -2.484 1.00 15.00 C ATOM 118 O GLN A 238 1.213 -5.835 -2.976 1.00 15.00 O ATOM 119 CB GLN A 238 2.952 -3.519 -3.386 1.00 15.00 C ATOM 120 CG GLN A 238 2.204 -3.425 -4.705 1.00 15.00 C ATOM 121 CD GLN A 238 3.078 -3.804 -5.885 1.00 15.00 C ATOM 122 OE1 GLN A 238 2.898 -3.309 -6.993 1.00 15.00 O ATOM 123 NE2 GLN A 238 4.032 -4.697 -5.657 1.00 15.00 N ATOM 0 H GLN A 238 3.651 -4.785 -1.301 1.00 15.00 H new ATOM 0 HA GLN A 238 1.594 -2.789 -1.885 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.526 -2.603 -3.242 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.669 -4.338 -3.447 1.00 15.00 H new ATOM 0 HG2 GLN A 238 1.333 -4.080 -4.675 1.00 15.00 H new ATOM 0 HG3 GLN A 238 1.834 -2.409 -4.840 1.00 15.00 H new ATOM 0 HE21 GLN A 238 4.152 -5.087 -4.722 1.00 15.00 H new ATOM 0 HE22 GLN A 238 4.645 -4.993 -6.416 1.00 15.00 H new ATOM 132 N ALA A 239 -0.302 -4.377 -2.182 1.00 15.00 N ATOM 133 CA ALA A 239 -1.436 -5.217 -2.512 1.00 15.00 C ATOM 134 C ALA A 239 -2.114 -4.685 -3.763 1.00 15.00 C ATOM 135 O ALA A 239 -2.102 -3.481 -4.015 1.00 15.00 O ATOM 136 CB ALA A 239 -2.414 -5.279 -1.348 1.00 15.00 C ATOM 0 H ALA A 239 -0.545 -3.507 -1.709 1.00 15.00 H new ATOM 0 HA ALA A 239 -1.086 -6.231 -2.705 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.258 -5.914 -1.616 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.912 -5.692 -0.473 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.773 -4.275 -1.121 1.00 15.00 H new ATOM 142 N MET A 240 -2.692 -5.572 -4.549 1.00 15.00 N ATOM 143 CA MET A 240 -3.300 -5.180 -5.811 1.00 15.00 C ATOM 144 C MET A 240 -4.793 -5.456 -5.793 1.00 15.00 C ATOM 145 O MET A 240 -5.216 -6.580 -5.527 1.00 15.00 O ATOM 146 CB MET A 240 -2.650 -5.940 -6.968 1.00 15.00 C ATOM 147 CG MET A 240 -1.140 -5.796 -7.025 1.00 15.00 C ATOM 148 SD MET A 240 -0.415 -6.630 -8.450 1.00 15.00 S ATOM 149 CE MET A 240 -1.157 -5.708 -9.796 1.00 15.00 C ATOM 0 H MET A 240 -2.755 -6.568 -4.339 1.00 15.00 H new ATOM 0 HA MET A 240 -3.142 -4.110 -5.950 1.00 15.00 H new ATOM 0 HB2 MET A 240 -2.902 -6.997 -6.883 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.075 -5.586 -7.907 1.00 15.00 H new ATOM 0 HG2 MET A 240 -0.881 -4.738 -7.058 1.00 15.00 H new ATOM 0 HG3 MET A 240 -0.706 -6.202 -6.112 1.00 15.00 H new ATOM 0 HE1 MET A 240 -0.385 -5.424 -10.511 1.00 15.00 H new ATOM 0 HE2 MET A 240 -1.903 -6.328 -10.294 1.00 15.00 H new ATOM 0 HE3 MET A 240 -1.635 -4.811 -9.402 1.00 15.00 H new ATOM 159 N THR A 241 -5.592 -4.437 -6.067 1.00 15.00 N ATOM 160 CA THR A 241 -7.025 -4.628 -6.168 1.00 15.00 C ATOM 161 C THR A 241 -7.460 -4.629 -7.630 1.00 15.00 C ATOM 162 O THR A 241 -6.957 -3.844 -8.448 1.00 15.00 O ATOM 163 CB THR A 241 -7.829 -3.571 -5.369 1.00 15.00 C ATOM 164 OG1 THR A 241 -9.235 -3.811 -5.520 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.509 -2.155 -5.817 1.00 15.00 C ATOM 0 H THR A 241 -5.275 -3.480 -6.222 1.00 15.00 H new ATOM 0 HA THR A 241 -7.246 -5.598 -5.723 1.00 15.00 H new ATOM 0 HB THR A 241 -7.542 -3.666 -4.322 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.738 -3.141 -5.011 1.00 15.00 H new ATOM 0 HG21 THR A 241 -8.095 -1.447 -5.231 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.447 -1.958 -5.669 1.00 15.00 H new ATOM 0 HG23 THR A 241 -7.755 -2.043 -6.873 1.00 15.00 H new ATOM 173 N GLN A 242 -8.403 -5.517 -7.937 1.00 15.00 N ATOM 174 CA GLN A 242 -8.907 -5.717 -9.295 1.00 15.00 C ATOM 175 C GLN A 242 -9.591 -4.454 -9.822 1.00 15.00 C ATOM 176 O GLN A 242 -9.943 -4.363 -10.998 1.00 15.00 O ATOM 177 CB GLN A 242 -9.858 -6.919 -9.328 1.00 15.00 C ATOM 178 CG GLN A 242 -10.192 -7.402 -10.729 1.00 15.00 C ATOM 179 CD GLN A 242 -10.871 -8.757 -10.740 1.00 15.00 C ATOM 180 OE1 GLN A 242 -12.097 -8.856 -10.687 1.00 15.00 O ATOM 181 NE2 GLN A 242 -10.074 -9.810 -10.810 1.00 15.00 N ATOM 0 H GLN A 242 -8.843 -6.123 -7.245 1.00 15.00 H new ATOM 0 HA GLN A 242 -8.063 -5.925 -9.952 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -9.409 -7.740 -8.769 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -10.783 -6.652 -8.816 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -10.840 -6.672 -11.214 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -9.276 -7.456 -11.317 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -9.063 -9.682 -10.852 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -10.470 -10.750 -10.822 1.00 15.00 H new ATOM 190 N ASP A 243 -9.795 -3.489 -8.932 1.00 15.00 N ATOM 191 CA ASP A 243 -10.314 -2.178 -9.311 1.00 15.00 C ATOM 192 C ASP A 243 -9.315 -1.443 -10.221 1.00 15.00 C ATOM 193 O ASP A 243 -9.603 -0.369 -10.747 1.00 15.00 O ATOM 194 CB ASP A 243 -10.610 -1.360 -8.052 1.00 15.00 C ATOM 195 CG ASP A 243 -11.250 -0.019 -8.345 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.180 0.037 -9.178 1.00 15.00 O1- ATOM 197 OD2 ASP A 243 -10.828 0.987 -7.741 1.00 15.00 O ATOM 0 H ASP A 243 -9.607 -3.591 -7.935 1.00 15.00 H new ATOM 0 HA ASP A 243 -11.240 -2.309 -9.871 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.269 -1.934 -7.401 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -9.681 -1.200 -7.505 1.00 15.00 H new ATOM 202 N GLY A 244 -8.132 -2.032 -10.394 1.00 15.00 N ATOM 203 CA GLY A 244 -7.176 -1.527 -11.364 1.00 15.00 C ATOM 204 C GLY A 244 -6.053 -0.706 -10.758 1.00 15.00 C ATOM 205 O GLY A 244 -5.332 -0.021 -11.482 1.00 15.00 O ATOM 0 H GLY A 244 -7.819 -2.853 -9.876 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -6.745 -2.369 -11.905 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -7.705 -0.916 -12.095 1.00 15.00 H new ATOM 209 N GLU A 245 -5.868 -0.793 -9.447 1.00 15.00 N ATOM 210 CA GLU A 245 -4.864 0.029 -8.773 1.00 15.00 C ATOM 211 C GLU A 245 -4.203 -0.744 -7.637 1.00 15.00 C ATOM 212 O GLU A 245 -4.815 -1.621 -7.026 1.00 15.00 O ATOM 213 CB GLU A 245 -5.495 1.323 -8.240 1.00 15.00 C ATOM 214 CG GLU A 245 -5.891 2.311 -9.331 1.00 15.00 C ATOM 215 CD GLU A 245 -6.639 3.519 -8.804 1.00 15.00 C ATOM 216 OE1 GLU A 245 -7.884 3.463 -8.727 1.00 15.00 O ATOM 217 OE2 GLU A 245 -5.992 4.539 -8.484 1.00 15.00 O1- ATOM 0 H GLU A 245 -6.392 -1.416 -8.833 1.00 15.00 H new ATOM 0 HA GLU A 245 -4.097 0.290 -9.502 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.379 1.070 -7.654 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -4.791 1.807 -7.563 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -4.994 2.647 -9.851 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -6.513 1.800 -10.066 1.00 15.00 H new ATOM 224 N ILE A 246 -2.948 -0.422 -7.360 1.00 15.00 N ATOM 225 CA ILE A 246 -2.205 -1.080 -6.295 1.00 15.00 C ATOM 226 C ILE A 246 -2.046 -0.136 -5.108 1.00 15.00 C ATOM 227 O ILE A 246 -2.008 1.082 -5.280 1.00 15.00 O ATOM 228 CB ILE A 246 -0.816 -1.554 -6.782 1.00 15.00 C ATOM 229 CG1 ILE A 246 0.105 -0.357 -7.048 1.00 15.00 C ATOM 230 CG2 ILE A 246 -0.961 -2.409 -8.035 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.385 -0.721 -7.768 1.00 15.00 C ATOM 0 H ILE A 246 -2.421 0.294 -7.860 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.771 -1.959 -5.987 1.00 15.00 H new ATOM 0 HB ILE A 246 -0.363 -2.160 -5.997 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.436 0.382 -7.639 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.355 0.116 -6.098 1.00 15.00 H new ATOM 0 HG21 ILE A 246 0.024 -2.737 -8.368 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -1.577 -3.280 -7.812 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.434 -1.823 -8.823 1.00 15.00 H new ATOM 0 HD11 ILE A 246 1.984 0.176 -7.921 1.00 15.00 H new ATOM 0 HD12 ILE A 246 1.949 -1.436 -7.169 1.00 15.00 H new ATOM 0 HD13 ILE A 246 1.145 -1.166 -8.734 1.00 15.00 H new ATOM 243 N TYR A 247 -1.977 -0.692 -3.907 1.00 15.00 N ATOM 244 CA TYR A 247 -1.890 0.121 -2.705 1.00 15.00 C ATOM 245 C TYR A 247 -0.968 -0.535 -1.661 1.00 15.00 C ATOM 246 O TYR A 247 -1.021 -1.750 -1.456 1.00 15.00 O ATOM 247 CB TYR A 247 -3.297 0.353 -2.122 1.00 15.00 C ATOM 248 CG TYR A 247 -4.046 -0.912 -1.746 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.625 -1.720 -2.720 1.00 15.00 C ATOM 250 CD2 TYR A 247 -4.172 -1.299 -0.417 1.00 15.00 C ATOM 251 CE1 TYR A 247 -5.303 -2.874 -2.379 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.848 -2.457 -0.068 1.00 15.00 C ATOM 253 CZ TYR A 247 -5.410 -3.238 -1.055 1.00 15.00 C ATOM 254 OH TYR A 247 -6.081 -4.390 -0.713 1.00 15.00 O ATOM 0 H TYR A 247 -1.980 -1.698 -3.740 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.457 1.086 -2.970 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.209 0.983 -1.237 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -3.890 0.907 -2.850 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.543 -1.440 -3.760 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.735 -0.686 0.358 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.748 -3.489 -3.148 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.934 -2.745 0.969 1.00 15.00 H new ATOM 0 HH TYR A 247 -6.078 -4.494 0.262 1.00 15.00 H new ATOM 264 N TYR A 248 -0.134 0.266 -0.994 1.00 15.00 N ATOM 265 CA TYR A 248 0.745 -0.230 0.052 1.00 15.00 C ATOM 266 C TYR A 248 0.059 -0.169 1.406 1.00 15.00 C ATOM 267 O TYR A 248 -0.338 0.904 1.865 1.00 15.00 O ATOM 268 CB TYR A 248 2.046 0.584 0.105 1.00 15.00 C ATOM 269 CG TYR A 248 3.075 0.151 -0.907 1.00 15.00 C ATOM 270 CD1 TYR A 248 3.881 -0.950 -0.662 1.00 15.00 C ATOM 271 CD2 TYR A 248 3.241 0.832 -2.105 1.00 15.00 C ATOM 272 CE1 TYR A 248 4.814 -1.367 -1.586 1.00 15.00 C ATOM 273 CE2 TYR A 248 4.172 0.416 -3.034 1.00 15.00 C ATOM 274 CZ TYR A 248 4.949 -0.682 -2.776 1.00 15.00 C ATOM 275 OH TYR A 248 5.868 -1.093 -3.712 1.00 15.00 O ATOM 0 H TYR A 248 -0.054 1.268 -1.166 1.00 15.00 H new ATOM 0 HA TYR A 248 0.983 -1.267 -0.183 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.812 1.636 -0.056 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.475 0.502 1.104 1.00 15.00 H new ATOM 0 HD1 TYR A 248 3.776 -1.489 0.268 1.00 15.00 H new ATOM 0 HD2 TYR A 248 2.633 1.700 -2.313 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.436 -2.225 -1.380 1.00 15.00 H new ATOM 0 HE2 TYR A 248 4.288 0.955 -3.963 1.00 15.00 H new ATOM 0 HH TYR A 248 5.547 -0.862 -4.609 1.00 15.00 H new ATOM 285 N ILE A 249 -0.084 -1.322 2.037 1.00 15.00 N ATOM 286 CA ILE A 249 -0.621 -1.392 3.382 1.00 15.00 C ATOM 287 C ILE A 249 0.511 -1.426 4.399 1.00 15.00 C ATOM 288 O ILE A 249 1.278 -2.387 4.462 1.00 15.00 O ATOM 289 CB ILE A 249 -1.533 -2.622 3.571 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.920 -3.862 2.905 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.917 -2.334 3.017 1.00 15.00 C ATOM 292 CD1 ILE A 249 -1.779 -5.104 3.017 1.00 15.00 C ATOM 0 H ILE A 249 0.166 -2.226 1.636 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.226 -0.499 3.541 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.624 -2.829 4.637 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.744 -3.647 1.851 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.052 -4.062 3.356 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.553 -3.208 3.155 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.350 -1.483 3.543 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.843 -2.104 1.954 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -1.280 -5.938 2.523 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -1.934 -5.345 4.069 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -2.742 -4.924 2.540 1.00 15.00 H new ATOM 304 N ASN A 250 0.604 -0.379 5.202 1.00 15.00 N ATOM 305 CA ASN A 250 1.699 -0.247 6.149 1.00 15.00 C ATOM 306 C ASN A 250 1.312 -0.905 7.479 1.00 15.00 C ATOM 307 O ASN A 250 0.533 -0.329 8.239 1.00 15.00 O ATOM 308 CB ASN A 250 2.032 1.233 6.376 1.00 15.00 C ATOM 309 CG ASN A 250 3.298 1.446 7.190 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.656 0.633 8.037 1.00 15.00 O ATOM 311 ND2 ASN A 250 3.987 2.547 6.940 1.00 15.00 N ATOM 0 H ASN A 250 -0.065 0.391 5.217 1.00 15.00 H new ATOM 0 HA ASN A 250 2.580 -0.744 5.743 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.142 1.726 5.410 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.196 1.713 6.885 1.00 15.00 H new ATOM 0 HD21 ASN A 250 4.844 2.741 7.458 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.661 3.202 6.229 1.00 15.00 H new ATOM 318 N HIS A 251 1.821 -2.115 7.754 1.00 15.00 N ATOM 319 CA HIS A 251 1.440 -2.848 8.951 1.00 15.00 C ATOM 320 C HIS A 251 2.200 -2.342 10.174 1.00 15.00 C ATOM 321 O HIS A 251 1.811 -2.612 11.311 1.00 15.00 O ATOM 322 CB HIS A 251 1.688 -4.353 8.765 1.00 15.00 C ATOM 323 CG HIS A 251 0.786 -5.018 7.761 1.00 15.00 C ATOM 324 ND1 HIS A 251 1.190 -5.376 6.484 1.00 15.00 N ATOM 325 CD2 HIS A 251 -0.503 -5.425 7.865 1.00 15.00 C ATOM 326 CE1 HIS A 251 0.191 -5.967 5.859 1.00 15.00 C ATOM 327 NE2 HIS A 251 -0.845 -6.011 6.671 1.00 15.00 N ATOM 0 H HIS A 251 2.495 -2.598 7.160 1.00 15.00 H new ATOM 0 HA HIS A 251 0.375 -2.682 9.116 1.00 15.00 H new ATOM 0 HB2 HIS A 251 2.723 -4.502 8.458 1.00 15.00 H new ATOM 0 HB3 HIS A 251 1.566 -4.849 9.728 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -1.143 -5.310 8.727 1.00 15.00 H new ATOM 0 HE1 HIS A 251 0.218 -6.351 4.850 1.00 15.00 H new ATOM 0 HE2 HIS A 251 -1.755 -6.415 6.449 1.00 15.00 H new ATOM 336 N LYS A 252 3.289 -1.618 9.940 1.00 15.00 N ATOM 337 CA LYS A 252 4.111 -1.115 11.035 1.00 15.00 C ATOM 338 C LYS A 252 3.647 0.253 11.534 1.00 15.00 C ATOM 339 O LYS A 252 3.855 0.593 12.696 1.00 15.00 O ATOM 340 CB LYS A 252 5.585 -1.035 10.631 1.00 15.00 C ATOM 341 CG LYS A 252 6.274 -2.385 10.511 1.00 15.00 C ATOM 342 CD LYS A 252 7.767 -2.215 10.262 1.00 15.00 C ATOM 343 CE LYS A 252 8.515 -3.540 10.327 1.00 15.00 C ATOM 344 NZ LYS A 252 8.130 -4.460 9.225 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.622 -1.367 9.009 1.00 15.00 H new ATOM 0 HA LYS A 252 3.997 -1.829 11.851 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.660 -0.515 9.676 1.00 15.00 H new ATOM 0 HB3 LYS A 252 6.119 -0.432 11.365 1.00 15.00 H new ATOM 0 HG2 LYS A 252 6.117 -2.960 11.424 1.00 15.00 H new ATOM 0 HG3 LYS A 252 5.828 -2.954 9.695 1.00 15.00 H new ATOM 0 HD2 LYS A 252 7.921 -1.760 9.283 1.00 15.00 H new ATOM 0 HD3 LYS A 252 8.181 -1.529 11.001 1.00 15.00 H new ATOM 0 HE2 LYS A 252 9.588 -3.352 10.282 1.00 15.00 H new ATOM 0 HE3 LYS A 252 8.316 -4.021 11.285 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 8.878 -5.169 9.087 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 7.239 -4.939 9.468 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 8.002 -3.916 8.348 1.00 15.00 H new ATOM 358 N ASN A 253 3.059 1.055 10.656 1.00 15.00 N ATOM 359 CA ASN A 253 2.640 2.403 11.030 1.00 15.00 C ATOM 360 C ASN A 253 1.145 2.611 10.807 1.00 15.00 C ATOM 361 O ASN A 253 0.629 3.706 11.045 1.00 15.00 O ATOM 362 CB ASN A 253 3.427 3.454 10.237 1.00 15.00 C ATOM 363 CG ASN A 253 4.927 3.370 10.464 1.00 15.00 C ATOM 364 OD1 ASN A 253 5.637 2.682 9.732 1.00 15.00 O ATOM 365 ND2 ASN A 253 5.425 4.065 11.477 1.00 15.00 N ATOM 0 H ASN A 253 2.862 0.801 9.688 1.00 15.00 H new ATOM 0 HA ASN A 253 2.848 2.521 12.093 1.00 15.00 H new ATOM 0 HB2 ASN A 253 3.219 3.330 9.174 1.00 15.00 H new ATOM 0 HB3 ASN A 253 3.078 4.448 10.516 1.00 15.00 H new ATOM 0 HD21 ASN A 253 6.426 4.040 11.669 1.00 15.00 H new ATOM 0 HD22 ASN A 253 4.807 4.625 12.064 1.00 15.00 H new ATOM 372 N LYS A 254 0.462 1.568 10.341 1.00 15.00 N ATOM 373 CA LYS A 254 -0.985 1.620 10.120 1.00 15.00 C ATOM 374 C LYS A 254 -1.346 2.761 9.155 1.00 15.00 C ATOM 375 O LYS A 254 -2.225 3.582 9.427 1.00 15.00 O ATOM 376 CB LYS A 254 -1.714 1.774 11.466 1.00 15.00 C ATOM 377 CG LYS A 254 -3.215 1.535 11.383 1.00 15.00 C ATOM 378 CD LYS A 254 -3.858 1.514 12.756 1.00 15.00 C ATOM 379 CE LYS A 254 -5.341 1.201 12.669 1.00 15.00 C ATOM 380 NZ LYS A 254 -5.982 1.184 14.008 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.888 0.671 10.107 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.308 0.686 9.659 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.284 1.076 12.184 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -1.536 2.778 11.852 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -3.675 2.317 10.778 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.405 0.588 10.878 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -3.363 0.769 13.380 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -3.716 2.480 13.240 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -5.833 1.944 12.040 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -5.480 0.233 12.187 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -6.994 0.967 13.906 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -5.530 0.458 14.600 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -5.872 2.115 14.458 1.00 15.00 H new ATOM 394 N THR A 255 -0.653 2.806 8.023 1.00 15.00 N ATOM 395 CA THR A 255 -0.810 3.903 7.071 1.00 15.00 C ATOM 396 C THR A 255 -1.064 3.370 5.647 1.00 15.00 C ATOM 397 O THR A 255 -0.567 2.303 5.292 1.00 15.00 O ATOM 398 CB THR A 255 0.457 4.789 7.086 1.00 15.00 C ATOM 399 OG1 THR A 255 0.795 5.109 8.443 1.00 15.00 O ATOM 400 CG2 THR A 255 0.264 6.080 6.301 1.00 15.00 C ATOM 0 H THR A 255 0.023 2.097 7.741 1.00 15.00 H new ATOM 0 HA THR A 255 -1.674 4.497 7.369 1.00 15.00 H new ATOM 0 HB THR A 255 1.260 4.226 6.610 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.599 5.669 8.456 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.180 6.670 6.340 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.028 5.843 5.263 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.555 6.652 6.737 1.00 15.00 H new ATOM 408 N THR A 256 -1.854 4.093 4.848 1.00 15.00 N ATOM 409 CA THR A 256 -2.119 3.691 3.474 1.00 15.00 C ATOM 410 C THR A 256 -1.516 4.689 2.478 1.00 15.00 C ATOM 411 O THR A 256 -1.674 5.903 2.627 1.00 15.00 O ATOM 412 CB THR A 256 -3.636 3.587 3.227 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.307 3.247 4.452 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.936 2.532 2.173 1.00 15.00 C ATOM 0 H THR A 256 -2.317 4.956 5.133 1.00 15.00 H new ATOM 0 HA THR A 256 -1.655 2.717 3.322 1.00 15.00 H new ATOM 0 HB THR A 256 -3.995 4.552 2.869 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.254 3.490 4.385 1.00 15.00 H new ATOM 0 HG21 THR A 256 -5.013 2.474 2.013 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.444 2.801 1.238 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.567 1.564 2.512 1.00 15.00 H new ATOM 422 N SER A 257 -0.804 4.175 1.479 1.00 15.00 N ATOM 423 CA SER A 257 -0.237 4.998 0.409 1.00 15.00 C ATOM 424 C SER A 257 -0.157 4.177 -0.875 1.00 15.00 C ATOM 425 O SER A 257 0.219 3.019 -0.829 1.00 15.00 O ATOM 426 CB SER A 257 1.155 5.497 0.802 1.00 15.00 C ATOM 427 OG SER A 257 1.093 6.338 1.945 1.00 15.00 O ATOM 0 H SER A 257 -0.603 3.179 1.386 1.00 15.00 H new ATOM 0 HA SER A 257 -0.880 5.863 0.245 1.00 15.00 H new ATOM 0 HB2 SER A 257 1.805 4.646 1.007 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.598 6.043 -0.031 1.00 15.00 H new ATOM 0 HG SER A 257 1.830 6.119 2.552 1.00 15.00 H new ATOM 433 N TRP A 258 -0.490 4.782 -2.012 1.00 15.00 N ATOM 434 CA TRP A 258 -0.591 4.048 -3.278 1.00 15.00 C ATOM 435 C TRP A 258 0.726 3.381 -3.696 1.00 15.00 C ATOM 436 O TRP A 258 0.834 2.156 -3.717 1.00 15.00 O ATOM 437 CB TRP A 258 -1.033 4.979 -4.409 1.00 15.00 C ATOM 438 CG TRP A 258 -2.440 5.484 -4.298 1.00 15.00 C ATOM 439 CD1 TRP A 258 -2.828 6.743 -3.947 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.646 4.753 -4.564 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.197 6.841 -3.983 1.00 15.00 N ATOM 442 CE2 TRP A 258 -4.720 5.634 -4.360 1.00 15.00 C ATOM 443 CE3 TRP A 258 -3.919 3.440 -4.956 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.048 5.247 -4.539 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -5.237 3.057 -5.130 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.285 3.958 -4.923 1.00 15.00 C ATOM 0 H TRP A 258 -0.695 5.778 -2.087 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.331 3.266 -3.106 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.357 5.834 -4.441 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -0.926 4.452 -5.357 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -2.157 7.546 -3.680 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -4.737 7.678 -3.764 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -3.116 2.737 -5.120 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -6.860 5.942 -4.380 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -5.460 2.044 -5.431 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -7.303 3.628 -5.070 1.00 15.00 H new ATOM 457 N LEU A 259 1.719 4.198 -4.013 1.00 15.00 N ATOM 458 CA LEU A 259 2.909 3.733 -4.719 1.00 15.00 C ATOM 459 C LEU A 259 4.186 3.899 -3.915 1.00 15.00 C ATOM 460 O LEU A 259 4.244 4.686 -2.968 1.00 15.00 O ATOM 461 CB LEU A 259 3.042 4.417 -6.075 1.00 15.00 C ATOM 462 CG LEU A 259 2.396 3.650 -7.228 1.00 15.00 C ATOM 463 CD1 LEU A 259 2.610 4.381 -8.545 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.959 2.230 -7.293 1.00 15.00 C ATOM 0 H LEU A 259 1.726 5.194 -3.792 1.00 15.00 H new ATOM 0 HA LEU A 259 2.771 2.662 -4.870 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.592 5.408 -6.015 1.00 15.00 H new ATOM 0 HB3 LEU A 259 4.100 4.560 -6.296 1.00 15.00 H new ATOM 0 HG LEU A 259 1.322 3.588 -7.051 1.00 15.00 H new ATOM 0 HD11 LEU A 259 2.143 3.819 -9.353 1.00 15.00 H new ATOM 0 HD12 LEU A 259 2.163 5.373 -8.487 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.678 4.475 -8.739 1.00 15.00 H new ATOM 0 HD21 LEU A 259 2.493 1.691 -8.118 1.00 15.00 H new ATOM 0 HD22 LEU A 259 4.037 2.273 -7.451 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.750 1.712 -6.357 1.00 15.00 H new ATOM 476 N ASP A 260 5.202 3.143 -4.331 1.00 15.00 N ATOM 477 CA ASP A 260 6.479 3.048 -3.628 1.00 15.00 C ATOM 478 C ASP A 260 7.134 4.418 -3.519 1.00 15.00 C ATOM 479 O ASP A 260 7.556 5.011 -4.515 1.00 15.00 O ATOM 480 CB ASP A 260 7.394 2.083 -4.394 1.00 15.00 C ATOM 481 CG ASP A 260 8.772 1.891 -3.774 1.00 15.00 C ATOM 482 OD1 ASP A 260 9.142 2.642 -2.846 1.00 15.00 O1- ATOM 483 OD2 ASP A 260 9.485 0.967 -4.223 1.00 15.00 O ATOM 0 H ASP A 260 5.160 2.573 -5.176 1.00 15.00 H new ATOM 0 HA ASP A 260 6.310 2.674 -2.618 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.902 1.113 -4.462 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.516 2.450 -5.413 1.00 15.00 H new ATOM 488 N PRO A 261 7.189 4.937 -2.288 1.00 15.00 N ATOM 489 CA PRO A 261 7.672 6.278 -2.008 1.00 15.00 C ATOM 490 C PRO A 261 9.194 6.390 -1.971 1.00 15.00 C ATOM 491 O PRO A 261 9.733 7.494 -1.894 1.00 15.00 O ATOM 492 CB PRO A 261 7.060 6.579 -0.645 1.00 15.00 C ATOM 493 CG PRO A 261 6.952 5.257 0.029 1.00 15.00 C ATOM 494 CD PRO A 261 6.772 4.235 -1.060 1.00 15.00 C ATOM 0 HA PRO A 261 7.388 6.982 -2.791 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.687 7.263 -0.073 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.083 7.051 -0.747 1.00 15.00 H new ATOM 0 HG2 PRO A 261 7.847 5.046 0.615 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.108 5.241 0.719 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.383 3.350 -0.880 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.737 3.900 -1.125 1.00 15.00 H new ATOM 502 N ARG A 262 9.895 5.263 -1.988 1.00 15.00 N ATOM 503 CA ARG A 262 11.351 5.300 -2.020 1.00 15.00 C ATOM 504 C ARG A 262 11.830 5.559 -3.451 1.00 15.00 C ATOM 505 O ARG A 262 12.994 5.878 -3.691 1.00 15.00 O ATOM 506 CB ARG A 262 11.961 4.017 -1.434 1.00 15.00 C ATOM 507 CG ARG A 262 13.485 4.000 -1.477 1.00 15.00 C ATOM 508 CD ARG A 262 14.059 2.767 -0.803 1.00 15.00 C ATOM 509 NE ARG A 262 13.768 2.728 0.631 1.00 15.00 N ATOM 510 CZ ARG A 262 14.141 1.731 1.432 1.00 15.00 C ATOM 511 NH1 ARG A 262 14.865 0.730 0.953 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 13.830 1.747 2.723 1.00 15.00 N ATOM 0 H ARG A 262 9.488 4.328 -1.980 1.00 15.00 H new ATOM 0 HA ARG A 262 11.695 6.120 -1.390 1.00 15.00 H new ATOM 0 HB2 ARG A 262 11.632 3.906 -0.401 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.579 3.157 -1.984 1.00 15.00 H new ATOM 0 HG2 ARG A 262 13.819 4.035 -2.514 1.00 15.00 H new ATOM 0 HG3 ARG A 262 13.872 4.894 -0.987 1.00 15.00 H new ATOM 0 HD2 ARG A 262 13.652 1.874 -1.278 1.00 15.00 H new ATOM 0 HD3 ARG A 262 15.138 2.744 -0.953 1.00 15.00 H new ATOM 0 HE ARG A 262 13.251 3.507 1.039 1.00 15.00 H new ATOM 0 HH11 ARG A 262 15.137 0.722 -0.030 1.00 15.00 H new ATOM 0 HH12 ARG A 262 15.150 -0.033 1.567 1.00 15.00 H new ATOM 0 HH21 ARG A 262 13.300 2.528 3.110 1.00 15.00 H new ATOM 0 HH22 ARG A 262 14.121 0.978 3.327 1.00 15.00 H new ATOM 526 N LEU A 263 10.910 5.414 -4.400 1.00 15.00 N ATOM 527 CA LEU A 263 11.181 5.739 -5.798 1.00 15.00 C ATOM 528 C LEU A 263 11.070 7.243 -6.037 1.00 15.00 C ATOM 529 O LEU A 263 11.399 7.733 -7.119 1.00 15.00 O ATOM 530 CB LEU A 263 10.211 5.000 -6.725 1.00 15.00 C ATOM 531 CG LEU A 263 10.239 3.471 -6.633 1.00 15.00 C ATOM 532 CD1 LEU A 263 9.280 2.863 -7.644 1.00 15.00 C ATOM 533 CD2 LEU A 263 11.650 2.942 -6.848 1.00 15.00 C ATOM 0 H LEU A 263 9.965 5.072 -4.226 1.00 15.00 H new ATOM 0 HA LEU A 263 12.199 5.419 -6.021 1.00 15.00 H new ATOM 0 HB2 LEU A 263 9.199 5.340 -6.507 1.00 15.00 H new ATOM 0 HB3 LEU A 263 10.430 5.288 -7.753 1.00 15.00 H new ATOM 0 HG LEU A 263 9.918 3.182 -5.632 1.00 15.00 H new ATOM 0 HD11 LEU A 263 9.311 1.776 -7.567 1.00 15.00 H new ATOM 0 HD12 LEU A 263 8.268 3.213 -7.441 1.00 15.00 H new ATOM 0 HD13 LEU A 263 9.573 3.164 -8.650 1.00 15.00 H new ATOM 0 HD21 LEU A 263 11.645 1.854 -6.778 1.00 15.00 H new ATOM 0 HD22 LEU A 263 12.004 3.241 -7.835 1.00 15.00 H new ATOM 0 HD23 LEU A 263 12.312 3.352 -6.085 1.00 15.00 H new ATOM 545 N ASP A 264 10.567 7.960 -5.031 1.00 15.00 N ATOM 546 CA ASP A 264 10.321 9.405 -5.132 1.00 15.00 C ATOM 547 C ASP A 264 11.547 10.202 -5.606 1.00 15.00 C ATOM 548 O ASP A 264 11.418 11.029 -6.507 1.00 15.00 O ATOM 549 CB ASP A 264 9.813 9.963 -3.796 1.00 15.00 C ATOM 550 CG ASP A 264 9.614 11.466 -3.825 1.00 15.00 C ATOM 551 OD1 ASP A 264 8.561 11.922 -4.316 1.00 15.00 O ATOM 552 OD2 ASP A 264 10.501 12.199 -3.336 1.00 15.00 O1- ATOM 0 H ASP A 264 10.319 7.561 -4.126 1.00 15.00 H new ATOM 0 HA ASP A 264 9.553 9.528 -5.896 1.00 15.00 H new ATOM 0 HB2 ASP A 264 8.869 9.481 -3.541 1.00 15.00 H new ATOM 0 HB3 ASP A 264 10.523 9.710 -3.008 1.00 15.00 H new ATOM 557 N PRO A 265 12.735 10.004 -4.997 1.00 15.00 N ATOM 558 CA PRO A 265 13.966 10.682 -5.425 1.00 15.00 C ATOM 559 C PRO A 265 14.317 10.391 -6.885 1.00 15.00 C ATOM 560 O PRO A 265 14.016 11.236 -7.758 1.00 15.00 O ATOM 561 CB PRO A 265 15.046 10.111 -4.494 1.00 15.00 C ATOM 562 CG PRO A 265 14.452 8.866 -3.926 1.00 15.00 C ATOM 563 CD PRO A 265 12.978 9.130 -3.841 1.00 15.00 C ATOM 564 OXT PRO A 265 14.894 9.316 -7.158 1.00 15.00 O ATOM 0 HA PRO A 265 13.866 11.766 -5.365 1.00 15.00 H new ATOM 0 HB2 PRO A 265 15.964 9.896 -5.041 1.00 15.00 H new ATOM 0 HB3 PRO A 265 15.303 10.820 -3.707 1.00 15.00 H new ATOM 0 HG2 PRO A 265 14.661 8.006 -4.562 1.00 15.00 H new ATOM 0 HG3 PRO A 265 14.869 8.645 -2.943 1.00 15.00 H new ATOM 0 HD2 PRO A 265 12.398 8.209 -3.902 1.00 15.00 H new ATOM 0 HD3 PRO A 265 12.708 9.616 -2.903 1.00 15.00 H new ATOM 573 N SER B 206 -6.391 11.203 -4.962 1.00 15.00 N ATOM 574 CA SER B 206 -7.205 9.979 -4.811 1.00 15.00 C ATOM 575 C SER B 206 -6.884 9.285 -3.492 1.00 15.00 C ATOM 576 O SER B 206 -5.737 8.909 -3.250 1.00 15.00 O ATOM 577 CB SER B 206 -6.925 9.026 -5.976 1.00 15.00 C ATOM 578 OG SER B 206 -7.115 9.666 -7.228 1.00 15.00 O ATOM 0 HA SER B 206 -8.259 10.257 -4.813 1.00 15.00 H new ATOM 0 HB2 SER B 206 -5.902 8.656 -5.907 1.00 15.00 H new ATOM 0 HB3 SER B 206 -7.583 8.160 -5.905 1.00 15.00 H new ATOM 0 HG SER B 206 -6.959 10.629 -7.130 1.00 15.00 H new ATOM 586 N PRO B 207 -7.885 9.122 -2.613 1.00 15.00 N ATOM 587 CA PRO B 207 -7.713 8.412 -1.342 1.00 15.00 C ATOM 588 C PRO B 207 -7.609 6.895 -1.532 1.00 15.00 C ATOM 589 O PRO B 207 -8.452 6.290 -2.196 1.00 15.00 O ATOM 590 CB PRO B 207 -8.983 8.768 -0.565 1.00 15.00 C ATOM 591 CG PRO B 207 -10.005 9.053 -1.611 1.00 15.00 C ATOM 592 CD PRO B 207 -9.259 9.633 -2.781 1.00 15.00 C ATOM 0 HA PRO B 207 -6.791 8.698 -0.835 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.296 7.946 0.079 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -8.823 9.634 0.078 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.532 8.143 -1.898 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.755 9.753 -1.242 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -9.691 9.313 -3.729 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -9.284 10.723 -2.771 1.00 15.00 H new ATOM 600 N PRO B 208 -6.564 6.267 -0.967 1.00 15.00 N ATOM 601 CA PRO B 208 -6.378 4.814 -1.023 1.00 15.00 C ATOM 602 C PRO B 208 -7.317 4.088 -0.064 1.00 15.00 C ATOM 603 O PRO B 208 -7.589 4.584 1.031 1.00 15.00 O ATOM 604 CB PRO B 208 -4.917 4.612 -0.578 1.00 15.00 C ATOM 605 CG PRO B 208 -4.325 5.981 -0.502 1.00 15.00 C ATOM 606 CD PRO B 208 -5.472 6.909 -0.233 1.00 15.00 C ATOM 0 HA PRO B 208 -6.592 4.415 -2.015 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.868 4.110 0.388 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.374 3.989 -1.289 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.580 6.041 0.291 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.822 6.241 -1.433 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.689 6.991 0.832 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.274 7.918 -0.596 1.00 15.00 H new ATOM 614 N PRO B 209 -7.820 2.906 -0.466 1.00 15.00 N ATOM 615 CA PRO B 209 -8.656 2.061 0.389 1.00 15.00 C ATOM 616 C PRO B 209 -8.024 1.854 1.762 1.00 15.00 C ATOM 617 O PRO B 209 -6.856 1.480 1.856 1.00 15.00 O ATOM 618 CB PRO B 209 -8.738 0.727 -0.371 1.00 15.00 C ATOM 619 CG PRO B 209 -7.745 0.835 -1.483 1.00 15.00 C ATOM 620 CD PRO B 209 -7.617 2.296 -1.781 1.00 15.00 C ATOM 0 HA PRO B 209 -9.633 2.508 0.576 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.503 -0.112 0.284 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.743 0.558 -0.758 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.784 0.411 -1.191 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -8.082 0.286 -2.362 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.639 2.542 -2.196 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -8.362 2.630 -2.503 1.00 15.00 H new ATOM 628 N PRO B 210 -8.795 2.102 2.830 1.00 15.00 N ATOM 629 CA PRO B 210 -8.298 2.067 4.211 1.00 15.00 C ATOM 630 C PRO B 210 -7.497 0.811 4.544 1.00 15.00 C ATOM 631 O PRO B 210 -7.915 -0.307 4.243 1.00 15.00 O ATOM 632 CB PRO B 210 -9.579 2.118 5.045 1.00 15.00 C ATOM 633 CG PRO B 210 -10.562 2.827 4.185 1.00 15.00 C ATOM 634 CD PRO B 210 -10.230 2.442 2.771 1.00 15.00 C ATOM 0 HA PRO B 210 -7.602 2.885 4.400 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -9.926 1.116 5.300 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -9.419 2.648 5.984 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.582 2.538 4.439 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -10.493 3.906 4.322 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.829 1.595 2.435 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.419 3.261 2.078 1.00 15.00 H new ATOM 642 N TYR B 211 -6.359 1.019 5.202 1.00 15.00 N ATOM 643 CA TYR B 211 -5.501 -0.070 5.669 1.00 15.00 C ATOM 644 C TYR B 211 -6.236 -0.992 6.656 1.00 15.00 C ATOM 645 O TYR B 211 -5.760 -2.083 6.980 1.00 15.00 O ATOM 646 CB TYR B 211 -4.238 0.528 6.322 1.00 15.00 C ATOM 647 CG TYR B 211 -3.491 -0.428 7.223 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.710 -1.453 6.705 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.585 -0.304 8.599 1.00 15.00 C ATOM 650 CE1 TYR B 211 -2.045 -2.329 7.542 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.922 -1.171 9.441 1.00 15.00 C ATOM 652 CZ TYR B 211 -2.154 -2.181 8.909 1.00 15.00 C ATOM 653 OH TYR B 211 -1.491 -3.047 9.747 1.00 15.00 O ATOM 0 H TYR B 211 -6.004 1.948 5.427 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.219 -0.682 4.812 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.564 0.870 5.536 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.524 1.406 6.901 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.621 -1.567 5.635 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -4.189 0.486 9.020 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -1.444 -3.125 7.128 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -3.005 -1.058 10.512 1.00 15.00 H new ATOM 0 HH TYR B 211 -1.672 -2.804 10.679 1.00 15.00 H new ATOM 663 N SER B 212 -7.411 -0.564 7.106 1.00 15.00 N ATOM 664 CA SER B 212 -8.157 -1.300 8.114 1.00 15.00 C ATOM 665 C SER B 212 -8.493 -2.712 7.629 1.00 15.00 C ATOM 666 O SER B 212 -8.325 -3.680 8.374 1.00 15.00 O ATOM 667 CB SER B 212 -9.425 -0.528 8.476 1.00 15.00 C ATOM 668 OG SER B 212 -9.114 0.833 8.743 1.00 15.00 O ATOM 0 H SER B 212 -7.866 0.291 6.786 1.00 15.00 H new ATOM 0 HA SER B 212 -7.539 -1.402 9.006 1.00 15.00 H new ATOM 0 HB2 SER B 212 -10.143 -0.590 7.658 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.897 -0.979 9.349 1.00 15.00 H new ATOM 0 HG SER B 212 -9.935 1.317 8.972 1.00 15.00 H new ATOM 674 N ARG B 213 -8.974 -2.830 6.394 1.00 15.00 N ATOM 675 CA ARG B 213 -9.154 -4.136 5.781 1.00 15.00 C ATOM 676 C ARG B 213 -8.994 -4.047 4.265 1.00 15.00 C ATOM 677 O ARG B 213 -9.050 -2.963 3.690 1.00 15.00 O ATOM 678 CB ARG B 213 -10.499 -4.760 6.125 1.00 15.00 C ATOM 679 CG ARG B 213 -10.454 -6.273 6.009 1.00 15.00 C ATOM 680 CD ARG B 213 -10.091 -6.930 7.332 1.00 15.00 C ATOM 681 NE ARG B 213 -11.120 -6.721 8.347 1.00 15.00 N ATOM 682 CZ ARG B 213 -11.384 -7.578 9.333 1.00 15.00 C ATOM 683 NH1 ARG B 213 -10.654 -8.678 9.481 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -12.368 -7.320 10.186 1.00 15.00 N ATOM 0 H ARG B 213 -9.243 -2.042 5.805 1.00 15.00 H new ATOM 0 HA ARG B 213 -8.378 -4.783 6.190 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.783 -4.480 7.139 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -11.266 -4.365 5.459 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -11.424 -6.641 5.674 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.726 -6.558 5.250 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.946 -7.999 7.178 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -9.143 -6.527 7.689 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.672 -5.865 8.298 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -9.886 -8.871 8.838 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -10.861 -9.330 10.238 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -12.920 -6.468 10.086 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -12.572 -7.974 10.942 1.00 15.00 H new ATOM 698 N TYR B 214 -8.831 -5.199 3.624 1.00 15.00 N ATOM 699 CA TYR B 214 -8.445 -5.249 2.221 1.00 15.00 C ATOM 700 C TYR B 214 -9.673 -5.370 1.324 1.00 15.00 C ATOM 701 O TYR B 214 -10.492 -6.273 1.497 1.00 15.00 O ATOM 702 CB TYR B 214 -7.493 -6.433 1.969 1.00 15.00 C ATOM 703 CG TYR B 214 -6.387 -6.574 3.004 1.00 15.00 C ATOM 704 CD1 TYR B 214 -6.111 -5.545 3.892 1.00 15.00 C ATOM 705 CD2 TYR B 214 -5.638 -7.740 3.107 1.00 15.00 C ATOM 706 CE1 TYR B 214 -5.139 -5.662 4.849 1.00 15.00 C ATOM 707 CE2 TYR B 214 -4.645 -7.865 4.068 1.00 15.00 C ATOM 708 CZ TYR B 214 -4.404 -6.821 4.939 1.00 15.00 C ATOM 709 OH TYR B 214 -3.424 -6.939 5.903 1.00 15.00 O ATOM 0 H TYR B 214 -8.961 -6.113 4.057 1.00 15.00 H new ATOM 0 HA TYR B 214 -7.929 -4.320 1.979 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.075 -7.354 1.947 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.041 -6.318 0.984 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.677 -4.628 3.827 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -5.831 -8.559 2.430 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -4.950 -4.846 5.531 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.064 -8.773 4.134 1.00 15.00 H new ATOM 0 HH TYR B 214 -2.999 -7.819 5.832 1.00 15.00 H new ATOM 719 N PRO B 215 -9.801 -4.457 0.344 1.00 15.00 N ATOM 720 CA PRO B 215 -10.893 -4.477 -0.646 1.00 15.00 C ATOM 721 C PRO B 215 -10.761 -5.622 -1.653 1.00 15.00 C ATOM 722 O PRO B 215 -11.263 -5.537 -2.774 1.00 15.00 O ATOM 723 CB PRO B 215 -10.743 -3.129 -1.357 1.00 15.00 C ATOM 724 CG PRO B 215 -9.308 -2.780 -1.203 1.00 15.00 C ATOM 725 CD PRO B 215 -8.902 -3.307 0.142 1.00 15.00 C ATOM 0 HA PRO B 215 -11.863 -4.630 -0.173 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -11.022 -3.202 -2.408 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -11.385 -2.371 -0.909 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -8.709 -3.228 -1.996 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -9.159 -1.702 -1.262 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.855 -3.609 0.156 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -9.028 -2.557 0.922 1.00 15.00 H new