USER MOD reduce.3.24.130724 H: found=0, std=0, add=347, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 353 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 251 HIS :FLIP no HD1:sc= 0.545 F(o=-2.9,f=-1.8) USER MOD Set 1.2: B 211 TYR OH : rot -16:sc= -2.31! USER MOD Set 2.1: A 250 ASN : amide:sc= 0.457 K(o=0.8,f=-13!) USER MOD Set 2.2: A 253 ASN : amide:sc= 0.342 K(o=0.8,f=-6.2!) USER MOD Set 3.1: A 238 GLN : amide:sc= -1.89! C(o=-2.8!,f=-4.1!) USER MOD Set 3.2: A 248 TYR OH : rot -58:sc= -0.947 USER MOD Single : A 240 MET CE :methyl 163:sc= -0.212 (180deg=-0.707) USER MOD Single : A 241 THR OG1 : rot 180:sc= 0 USER MOD Single : A 242 GLN :FLIP amide:sc=-0.00182 F(o=-1.1,f=-0.0018) USER MOD Single : A 247 TYR OH : rot 180:sc= -0.622 USER MOD Single : A 252 LYS NZ :NH3+ 163:sc= -0.0654 (180deg=-0.302) 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 -147:sc= 0.00644 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 206 SER OG : rot 38:sc= 0.0893 USER MOD Single : B 212 SER OG : rot 180:sc= 0.0231 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 9.611 -0.898 -6.699 1.00 15.00 N ATOM 2 CA GLY A 230 10.987 -1.269 -6.301 1.00 15.00 C ATOM 3 C GLY A 230 11.014 -1.941 -4.946 1.00 15.00 C ATOM 4 O GLY A 230 10.031 -2.567 -4.548 1.00 15.00 O ATOM 0 HA2 GLY A 230 11.414 -1.938 -7.048 1.00 15.00 H new ATOM 0 HA3 GLY A 230 11.612 -0.377 -6.277 1.00 15.00 H new ATOM 10 N PRO A 231 12.136 -1.850 -4.220 1.00 15.00 N ATOM 11 CA PRO A 231 12.238 -2.373 -2.864 1.00 15.00 C ATOM 12 C PRO A 231 11.719 -1.374 -1.833 1.00 15.00 C ATOM 13 O PRO A 231 12.249 -0.271 -1.701 1.00 15.00 O ATOM 14 CB PRO A 231 13.738 -2.602 -2.698 1.00 15.00 C ATOM 15 CG PRO A 231 14.391 -1.593 -3.588 1.00 15.00 C ATOM 16 CD PRO A 231 13.396 -1.235 -4.669 1.00 15.00 C ATOM 0 HA PRO A 231 11.641 -3.272 -2.711 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.044 -2.468 -1.660 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.015 -3.617 -2.984 1.00 15.00 H new ATOM 0 HG2 PRO A 231 14.676 -0.707 -3.020 1.00 15.00 H new ATOM 0 HG3 PRO A 231 15.303 -1.999 -4.025 1.00 15.00 H new ATOM 0 HD2 PRO A 231 13.296 -0.155 -4.776 1.00 15.00 H new ATOM 0 HD3 PRO A 231 13.705 -1.624 -5.639 1.00 15.00 H new ATOM 24 N LEU A 232 10.669 -1.753 -1.121 1.00 15.00 N ATOM 25 CA LEU A 232 10.046 -0.851 -0.166 1.00 15.00 C ATOM 26 C LEU A 232 10.778 -0.850 1.166 1.00 15.00 C ATOM 27 O LEU A 232 11.529 -1.779 1.466 1.00 15.00 O ATOM 28 CB LEU A 232 8.557 -1.133 0.074 1.00 15.00 C ATOM 29 CG LEU A 232 7.619 -0.702 -1.043 1.00 15.00 C ATOM 30 CD1 LEU A 232 7.765 0.771 -1.353 1.00 15.00 C ATOM 31 CD2 LEU A 232 7.834 -1.531 -2.297 1.00 15.00 C ATOM 0 H LEU A 232 10.233 -2.673 -1.186 1.00 15.00 H new ATOM 0 HA LEU A 232 10.120 0.134 -0.627 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.430 -2.203 0.238 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.254 -0.631 0.993 1.00 15.00 H new ATOM 0 HG LEU A 232 6.602 -0.874 -0.690 1.00 15.00 H new ATOM 0 HD11 LEU A 232 7.080 1.044 -2.156 1.00 15.00 H new ATOM 0 HD12 LEU A 232 7.532 1.355 -0.463 1.00 15.00 H new ATOM 0 HD13 LEU A 232 8.789 0.978 -1.664 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.148 -1.197 -3.076 1.00 15.00 H new ATOM 0 HD22 LEU A 232 8.861 -1.410 -2.642 1.00 15.00 H new ATOM 0 HD23 LEU A 232 7.647 -2.582 -2.075 1.00 15.00 H new ATOM 43 N PRO A 233 10.567 0.197 1.994 1.00 15.00 N ATOM 44 CA PRO A 233 11.211 0.338 3.316 1.00 15.00 C ATOM 45 C PRO A 233 10.885 -0.825 4.265 1.00 15.00 C ATOM 46 O PRO A 233 11.428 -0.906 5.366 1.00 15.00 O ATOM 47 CB PRO A 233 10.608 1.653 3.834 1.00 15.00 C ATOM 48 CG PRO A 233 10.324 2.402 2.587 1.00 15.00 C ATOM 49 CD PRO A 233 9.678 1.361 1.737 1.00 15.00 C ATOM 0 HA PRO A 233 12.299 0.335 3.253 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.703 1.480 4.416 1.00 15.00 H new ATOM 0 HB3 PRO A 233 11.304 2.190 4.478 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.664 3.251 2.763 1.00 15.00 H new ATOM 0 HG3 PRO A 233 11.233 2.794 2.131 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.647 1.167 2.034 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.659 1.641 0.684 1.00 15.00 H new ATOM 57 N ASP A 234 9.933 -1.664 3.844 1.00 15.00 N ATOM 58 CA ASP A 234 9.508 -2.865 4.582 1.00 15.00 C ATOM 59 C ASP A 234 8.544 -2.504 5.695 1.00 15.00 C ATOM 60 O ASP A 234 8.179 -3.341 6.520 1.00 15.00 O ATOM 61 CB ASP A 234 10.695 -3.667 5.134 1.00 15.00 C ATOM 62 CG ASP A 234 11.441 -4.423 4.054 1.00 15.00 C ATOM 63 OD1 ASP A 234 10.793 -5.148 3.271 1.00 15.00 O ATOM 64 OD2 ASP A 234 12.680 -4.311 3.989 1.00 15.00 O1- ATOM 0 H ASP A 234 9.427 -1.529 2.969 1.00 15.00 H new ATOM 0 HA ASP A 234 8.994 -3.507 3.867 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.383 -2.989 5.639 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.335 -4.372 5.883 1.00 15.00 H new ATOM 69 N GLY A 235 8.103 -1.259 5.684 1.00 15.00 N ATOM 70 CA GLY A 235 7.039 -0.849 6.566 1.00 15.00 C ATOM 71 C GLY A 235 5.694 -1.102 5.930 1.00 15.00 C ATOM 72 O GLY A 235 4.683 -1.218 6.615 1.00 15.00 O ATOM 0 H GLY A 235 8.465 -0.523 5.077 1.00 15.00 H new ATOM 0 HA2 GLY A 235 7.110 -1.393 7.508 1.00 15.00 H new ATOM 0 HA3 GLY A 235 7.142 0.210 6.801 1.00 15.00 H new ATOM 76 N TRP A 236 5.699 -1.215 4.606 1.00 15.00 N ATOM 77 CA TRP A 236 4.480 -1.418 3.841 1.00 15.00 C ATOM 78 C TRP A 236 4.639 -2.386 2.686 1.00 15.00 C ATOM 79 O TRP A 236 5.688 -2.460 2.046 1.00 15.00 O ATOM 80 CB TRP A 236 3.883 -0.097 3.346 1.00 15.00 C ATOM 81 CG TRP A 236 4.850 1.022 3.089 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.158 0.957 2.706 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.545 2.409 3.233 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.682 2.224 2.639 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.708 3.131 2.955 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.388 3.103 3.579 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.753 4.523 3.023 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.426 4.481 3.642 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.605 5.179 3.369 1.00 15.00 C ATOM 0 H TRP A 236 6.545 -1.168 4.038 1.00 15.00 H new ATOM 0 HA TRP A 236 3.783 -1.875 4.544 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.337 -0.294 2.424 1.00 15.00 H new ATOM 0 HB3 TRP A 236 3.154 0.244 4.081 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.699 0.048 2.489 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.645 2.453 2.393 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.474 2.570 3.795 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.663 5.064 2.810 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.532 5.027 3.906 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.609 6.257 3.433 1.00 15.00 H new ATOM 100 N GLU A 237 3.550 -3.092 2.419 1.00 15.00 N ATOM 101 CA GLU A 237 3.477 -4.079 1.367 1.00 15.00 C ATOM 102 C GLU A 237 2.462 -3.614 0.327 1.00 15.00 C ATOM 103 O GLU A 237 1.456 -2.989 0.672 1.00 15.00 O ATOM 104 CB GLU A 237 3.055 -5.421 1.981 1.00 15.00 C ATOM 105 CG GLU A 237 2.773 -6.517 0.969 1.00 15.00 C ATOM 106 CD GLU A 237 3.982 -6.883 0.134 1.00 15.00 C ATOM 107 OE1 GLU A 237 4.212 -6.238 -0.911 1.00 15.00 O ATOM 108 OE2 GLU A 237 4.702 -7.829 0.516 1.00 15.00 O1- ATOM 0 H GLU A 237 2.680 -2.988 2.941 1.00 15.00 H new ATOM 0 HA GLU A 237 4.445 -4.203 0.881 1.00 15.00 H new ATOM 0 HB2 GLU A 237 3.841 -5.761 2.655 1.00 15.00 H new ATOM 0 HB3 GLU A 237 2.162 -5.264 2.586 1.00 15.00 H new ATOM 0 HG2 GLU A 237 2.419 -7.405 1.493 1.00 15.00 H new ATOM 0 HG3 GLU A 237 1.968 -6.195 0.309 1.00 15.00 H new ATOM 115 N GLN A 238 2.709 -3.937 -0.932 1.00 15.00 N ATOM 116 CA GLN A 238 1.848 -3.488 -2.011 1.00 15.00 C ATOM 117 C GLN A 238 0.729 -4.504 -2.255 1.00 15.00 C ATOM 118 O GLN A 238 0.963 -5.569 -2.831 1.00 15.00 O ATOM 119 CB GLN A 238 2.659 -3.277 -3.293 1.00 15.00 C ATOM 120 CG GLN A 238 1.826 -2.888 -4.502 1.00 15.00 C ATOM 121 CD GLN A 238 2.615 -2.993 -5.790 1.00 15.00 C ATOM 122 OE1 GLN A 238 3.259 -2.039 -6.220 1.00 15.00 O ATOM 123 NE2 GLN A 238 2.578 -4.162 -6.412 1.00 15.00 N ATOM 0 H GLN A 238 3.499 -4.509 -1.231 1.00 15.00 H new ATOM 0 HA GLN A 238 1.402 -2.536 -1.723 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.404 -2.501 -3.115 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.202 -4.194 -3.521 1.00 15.00 H new ATOM 0 HG2 GLN A 238 0.949 -3.532 -4.560 1.00 15.00 H new ATOM 0 HG3 GLN A 238 1.464 -1.867 -4.380 1.00 15.00 H new ATOM 0 HE21 GLN A 238 2.031 -4.930 -6.022 1.00 15.00 H new ATOM 0 HE22 GLN A 238 3.096 -4.294 -7.280 1.00 15.00 H new ATOM 132 N ALA A 239 -0.472 -4.194 -1.780 1.00 15.00 N ATOM 133 CA ALA A 239 -1.623 -5.043 -2.000 1.00 15.00 C ATOM 134 C ALA A 239 -2.317 -4.634 -3.285 1.00 15.00 C ATOM 135 O ALA A 239 -2.269 -3.469 -3.682 1.00 15.00 O ATOM 136 CB ALA A 239 -2.579 -4.964 -0.820 1.00 15.00 C ATOM 0 H ALA A 239 -0.668 -3.353 -1.237 1.00 15.00 H new ATOM 0 HA ALA A 239 -1.292 -6.077 -2.092 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.438 -5.609 -1.004 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -2.067 -5.291 0.085 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.918 -3.936 -0.694 1.00 15.00 H new ATOM 142 N MET A 240 -2.944 -5.584 -3.944 1.00 15.00 N ATOM 143 CA MET A 240 -3.549 -5.330 -5.238 1.00 15.00 C ATOM 144 C MET A 240 -5.050 -5.562 -5.200 1.00 15.00 C ATOM 145 O MET A 240 -5.504 -6.663 -4.890 1.00 15.00 O ATOM 146 CB MET A 240 -2.920 -6.244 -6.296 1.00 15.00 C ATOM 147 CG MET A 240 -1.418 -6.064 -6.447 1.00 15.00 C ATOM 148 SD MET A 240 -0.688 -7.229 -7.614 1.00 15.00 S ATOM 149 CE MET A 240 -1.626 -6.857 -9.094 1.00 15.00 C ATOM 0 H MET A 240 -3.049 -6.541 -3.607 1.00 15.00 H new ATOM 0 HA MET A 240 -3.367 -4.286 -5.494 1.00 15.00 H new ATOM 0 HB2 MET A 240 -3.128 -7.282 -6.036 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.398 -6.054 -7.257 1.00 15.00 H new ATOM 0 HG2 MET A 240 -1.210 -5.047 -6.778 1.00 15.00 H new ATOM 0 HG3 MET A 240 -0.942 -6.186 -5.474 1.00 15.00 H new ATOM 0 HE1 MET A 240 -1.108 -7.261 -9.964 1.00 15.00 H new ATOM 0 HE2 MET A 240 -2.616 -7.307 -9.020 1.00 15.00 H new ATOM 0 HE3 MET A 240 -1.725 -5.777 -9.200 1.00 15.00 H new ATOM 159 N THR A 241 -5.822 -4.534 -5.524 1.00 15.00 N ATOM 160 CA THR A 241 -7.244 -4.718 -5.720 1.00 15.00 C ATOM 161 C THR A 241 -7.464 -5.055 -7.191 1.00 15.00 C ATOM 162 O THR A 241 -6.951 -4.369 -8.083 1.00 15.00 O ATOM 163 CB THR A 241 -8.081 -3.484 -5.274 1.00 15.00 C ATOM 164 OG1 THR A 241 -9.471 -3.828 -5.201 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.918 -2.299 -6.215 1.00 15.00 C ATOM 0 H THR A 241 -5.489 -3.579 -5.654 1.00 15.00 H new ATOM 0 HA THR A 241 -7.595 -5.533 -5.087 1.00 15.00 H new ATOM 0 HB THR A 241 -7.708 -3.192 -4.292 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.987 -3.045 -4.918 1.00 15.00 H new ATOM 0 HG21 THR A 241 -8.523 -1.465 -5.858 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.870 -2.000 -6.246 1.00 15.00 H new ATOM 0 HG23 THR A 241 -8.244 -2.582 -7.216 1.00 15.00 H new ATOM 173 N GLN A 242 -8.189 -6.135 -7.440 1.00 15.00 N ATOM 174 CA GLN A 242 -8.235 -6.739 -8.768 1.00 15.00 C ATOM 175 C GLN A 242 -8.905 -5.830 -9.799 1.00 15.00 C ATOM 176 O GLN A 242 -8.872 -6.113 -10.997 1.00 15.00 O ATOM 177 CB GLN A 242 -8.923 -8.102 -8.719 1.00 15.00 C ATOM 178 CG GLN A 242 -8.513 -9.008 -9.870 1.00 15.00 C ATOM 179 CD GLN A 242 -9.096 -10.403 -9.781 1.00 15.00 C ATOM 180 OE1 GLN A 242 -9.348 -10.874 -8.573 1.00 15.00 O flip ATOM 181 NE2 GLN A 242 -9.323 -11.051 -10.801 1.00 15.00 N flip ATOM 0 H GLN A 242 -8.756 -6.614 -6.740 1.00 15.00 H new ATOM 0 HA GLN A 242 -7.203 -6.879 -9.090 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -8.685 -8.591 -7.774 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -10.003 -7.960 -8.741 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -8.825 -8.552 -10.809 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -7.426 -9.079 -9.896 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -9.114 -10.652 -11.716 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -9.720 -11.988 -10.732 1.00 15.00 H new ATOM 190 N ASP A 243 -9.518 -4.746 -9.336 1.00 15.00 N ATOM 191 CA ASP A 243 -10.161 -3.794 -10.238 1.00 15.00 C ATOM 192 C ASP A 243 -9.117 -2.944 -10.976 1.00 15.00 C ATOM 193 O ASP A 243 -9.447 -2.176 -11.880 1.00 15.00 O ATOM 194 CB ASP A 243 -11.136 -2.898 -9.467 1.00 15.00 C ATOM 195 CG ASP A 243 -12.073 -2.135 -10.385 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.702 -2.769 -11.256 1.00 15.00 O1- ATOM 197 OD2 ASP A 243 -12.193 -0.900 -10.234 1.00 15.00 O ATOM 0 H ASP A 243 -9.584 -4.504 -8.347 1.00 15.00 H new ATOM 0 HA ASP A 243 -10.723 -4.359 -10.981 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.722 -3.510 -8.782 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -10.572 -2.191 -8.860 1.00 15.00 H new ATOM 202 N GLY A 244 -7.854 -3.090 -10.586 1.00 15.00 N ATOM 203 CA GLY A 244 -6.771 -2.441 -11.312 1.00 15.00 C ATOM 204 C GLY A 244 -6.101 -1.283 -10.578 1.00 15.00 C ATOM 205 O GLY A 244 -5.702 -0.304 -11.211 1.00 15.00 O ATOM 0 H GLY A 244 -7.559 -3.644 -9.782 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -6.013 -3.188 -11.547 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -7.161 -2.072 -12.261 1.00 15.00 H new ATOM 209 N GLU A 245 -5.960 -1.379 -9.256 1.00 15.00 N ATOM 210 CA GLU A 245 -5.214 -0.379 -8.492 1.00 15.00 C ATOM 211 C GLU A 245 -4.453 -1.044 -7.353 1.00 15.00 C ATOM 212 O GLU A 245 -5.008 -1.844 -6.601 1.00 15.00 O ATOM 213 CB GLU A 245 -6.129 0.722 -7.934 1.00 15.00 C ATOM 214 CG GLU A 245 -6.731 1.623 -9.001 1.00 15.00 C ATOM 215 CD GLU A 245 -7.499 2.795 -8.427 1.00 15.00 C ATOM 216 OE1 GLU A 245 -8.716 2.657 -8.189 1.00 15.00 O ATOM 217 OE2 GLU A 245 -6.892 3.874 -8.247 1.00 15.00 O1- ATOM 0 H GLU A 245 -6.351 -2.135 -8.694 1.00 15.00 H new ATOM 0 HA GLU A 245 -4.509 0.091 -9.178 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.936 0.257 -7.367 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -5.560 1.334 -7.235 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -5.934 1.998 -9.643 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -7.397 1.034 -9.631 1.00 15.00 H new ATOM 224 N ILE A 246 -3.183 -0.716 -7.234 1.00 15.00 N ATOM 225 CA ILE A 246 -2.357 -1.239 -6.158 1.00 15.00 C ATOM 226 C ILE A 246 -2.237 -0.209 -5.043 1.00 15.00 C ATOM 227 O ILE A 246 -2.189 0.992 -5.305 1.00 15.00 O ATOM 228 CB ILE A 246 -0.957 -1.632 -6.673 1.00 15.00 C ATOM 229 CG1 ILE A 246 -0.267 -0.427 -7.325 1.00 15.00 C ATOM 230 CG2 ILE A 246 -1.067 -2.790 -7.656 1.00 15.00 C ATOM 231 CD1 ILE A 246 0.989 -0.780 -8.097 1.00 15.00 C ATOM 0 H ILE A 246 -2.695 -0.086 -7.871 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.837 -2.136 -5.766 1.00 15.00 H new ATOM 0 HB ILE A 246 -0.349 -1.953 -5.828 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.971 0.061 -7.999 1.00 15.00 H new ATOM 0 HG13 ILE A 246 -0.014 0.297 -6.550 1.00 15.00 H new ATOM 0 HG21 ILE A 246 -0.073 -3.059 -8.013 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -1.519 -3.648 -7.158 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.688 -2.492 -8.501 1.00 15.00 H new ATOM 0 HD11 ILE A 246 1.418 0.125 -8.528 1.00 15.00 H new ATOM 0 HD12 ILE A 246 1.713 -1.240 -7.424 1.00 15.00 H new ATOM 0 HD13 ILE A 246 0.741 -1.479 -8.895 1.00 15.00 H new ATOM 243 N TYR A 247 -2.217 -0.673 -3.802 1.00 15.00 N ATOM 244 CA TYR A 247 -2.141 0.228 -2.663 1.00 15.00 C ATOM 245 C TYR A 247 -1.245 -0.359 -1.567 1.00 15.00 C ATOM 246 O TYR A 247 -1.274 -1.560 -1.310 1.00 15.00 O ATOM 247 CB TYR A 247 -3.546 0.522 -2.110 1.00 15.00 C ATOM 248 CG TYR A 247 -4.269 -0.676 -1.526 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.798 -1.665 -2.349 1.00 15.00 C ATOM 250 CD2 TYR A 247 -4.434 -0.812 -0.152 1.00 15.00 C ATOM 251 CE1 TYR A 247 -5.463 -2.753 -1.819 1.00 15.00 C ATOM 252 CE2 TYR A 247 -5.101 -1.898 0.383 1.00 15.00 C ATOM 253 CZ TYR A 247 -5.610 -2.862 -0.454 1.00 15.00 C ATOM 254 OH TYR A 247 -6.271 -3.940 0.082 1.00 15.00 O ATOM 0 H TYR A 247 -2.252 -1.663 -3.559 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.700 1.166 -3.000 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.464 1.289 -1.340 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -4.155 0.940 -2.911 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.687 -1.580 -3.420 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -4.034 -0.056 0.508 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.865 -3.514 -2.471 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -5.221 -1.989 1.452 1.00 15.00 H new ATOM 0 HH TYR A 247 -6.285 -3.863 1.059 1.00 15.00 H new ATOM 264 N TYR A 248 -0.478 0.493 -0.905 1.00 15.00 N ATOM 265 CA TYR A 248 0.455 0.070 0.119 1.00 15.00 C ATOM 266 C TYR A 248 -0.163 0.150 1.504 1.00 15.00 C ATOM 267 O TYR A 248 -0.579 1.223 1.952 1.00 15.00 O ATOM 268 CB TYR A 248 1.717 0.931 0.071 1.00 15.00 C ATOM 269 CG TYR A 248 2.653 0.536 -1.035 1.00 15.00 C ATOM 270 CD1 TYR A 248 2.464 0.984 -2.336 1.00 15.00 C ATOM 271 CD2 TYR A 248 3.721 -0.306 -0.780 1.00 15.00 C ATOM 272 CE1 TYR A 248 3.312 0.597 -3.351 1.00 15.00 C ATOM 273 CE2 TYR A 248 4.568 -0.693 -1.786 1.00 15.00 C ATOM 274 CZ TYR A 248 4.361 -0.243 -3.073 1.00 15.00 C ATOM 275 OH TYR A 248 5.212 -0.633 -4.082 1.00 15.00 O ATOM 0 H TYR A 248 -0.488 1.500 -1.066 1.00 15.00 H new ATOM 0 HA TYR A 248 0.713 -0.970 -0.080 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.433 1.976 -0.056 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.238 0.856 1.025 1.00 15.00 H new ATOM 0 HD1 TYR A 248 1.639 1.646 -2.556 1.00 15.00 H new ATOM 0 HD2 TYR A 248 3.890 -0.663 0.225 1.00 15.00 H new ATOM 0 HE1 TYR A 248 3.152 0.952 -4.358 1.00 15.00 H new ATOM 0 HE2 TYR A 248 5.397 -1.350 -1.571 1.00 15.00 H new ATOM 0 HH TYR A 248 4.699 -1.078 -4.789 1.00 15.00 H new ATOM 285 N ILE A 249 -0.221 -0.987 2.174 1.00 15.00 N ATOM 286 CA ILE A 249 -0.650 -1.037 3.554 1.00 15.00 C ATOM 287 C ILE A 249 0.570 -1.008 4.470 1.00 15.00 C ATOM 288 O ILE A 249 1.380 -1.939 4.473 1.00 15.00 O ATOM 289 CB ILE A 249 -1.506 -2.294 3.834 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.848 -3.550 3.241 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.909 -2.107 3.277 1.00 15.00 C ATOM 292 CD1 ILE A 249 -1.627 -4.826 3.481 1.00 15.00 C ATOM 0 H ILE A 249 0.027 -1.894 1.778 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.273 -0.165 3.753 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.575 -2.431 4.913 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.723 -3.409 2.167 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.150 -3.660 3.666 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.503 -2.998 3.480 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.377 -1.244 3.751 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.854 -1.945 2.201 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -1.097 -5.666 3.032 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -1.730 -4.993 4.553 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -2.616 -4.739 3.031 1.00 15.00 H new ATOM 304 N ASN A 250 0.709 0.067 5.238 1.00 15.00 N ATOM 305 CA ASN A 250 1.881 0.240 6.086 1.00 15.00 C ATOM 306 C ASN A 250 1.612 -0.391 7.459 1.00 15.00 C ATOM 307 O ASN A 250 0.800 0.139 8.219 1.00 15.00 O ATOM 308 CB ASN A 250 2.213 1.731 6.249 1.00 15.00 C ATOM 309 CG ASN A 250 3.494 1.989 7.031 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.892 1.205 7.889 1.00 15.00 O ATOM 311 ND2 ASN A 250 4.142 3.107 6.749 1.00 15.00 N ATOM 0 H ASN A 250 0.030 0.826 5.291 1.00 15.00 H new ATOM 0 HA ASN A 250 2.734 -0.252 5.618 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.302 2.185 5.262 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.383 2.226 6.754 1.00 15.00 H new ATOM 0 HD21 ASN A 250 4.999 3.340 7.250 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.784 3.736 6.031 1.00 15.00 H new ATOM 318 N HIS A 251 2.273 -1.520 7.778 1.00 15.00 N ATOM 319 CA HIS A 251 1.992 -2.260 8.999 1.00 15.00 C ATOM 320 C HIS A 251 2.724 -1.654 10.191 1.00 15.00 C ATOM 321 O HIS A 251 2.445 -1.991 11.339 1.00 15.00 O ATOM 322 CB HIS A 251 2.394 -3.732 8.833 1.00 15.00 C ATOM 323 CG HIS A 251 1.529 -4.502 7.875 1.00 15.00 C ATOM 324 ND1 HIS A 251 0.314 -5.074 8.051 1.00 15.00 N flip ATOM 325 CD2 HIS A 251 1.889 -4.775 6.568 1.00 15.00 C flip ATOM 326 CE1 HIS A 251 -0.033 -5.671 6.866 1.00 15.00 C flip ATOM 327 NE2 HIS A 251 0.933 -5.475 5.991 1.00 15.00 N flip ATOM 0 H HIS A 251 3.005 -1.931 7.198 1.00 15.00 H new ATOM 0 HA HIS A 251 0.920 -2.199 9.188 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.427 -3.778 8.490 1.00 15.00 H new ATOM 0 HB3 HIS A 251 2.360 -4.219 9.808 1.00 15.00 H new ATOM 0 HD2 HIS A 251 2.809 -4.464 6.095 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -0.948 -6.213 6.680 1.00 15.00 H new ATOM 0 HE2 HIS A 251 0.940 -5.809 5.027 1.00 15.00 H new ATOM 336 N LYS A 252 3.681 -0.780 9.913 1.00 15.00 N ATOM 337 CA LYS A 252 4.451 -0.135 10.974 1.00 15.00 C ATOM 338 C LYS A 252 3.812 1.182 11.419 1.00 15.00 C ATOM 339 O LYS A 252 3.771 1.489 12.613 1.00 15.00 O ATOM 340 CB LYS A 252 5.891 0.115 10.521 1.00 15.00 C ATOM 341 CG LYS A 252 6.659 -1.154 10.188 1.00 15.00 C ATOM 342 CD LYS A 252 6.692 -2.112 11.368 1.00 15.00 C ATOM 343 CE LYS A 252 7.595 -3.303 11.096 1.00 15.00 C ATOM 344 NZ LYS A 252 9.015 -2.896 10.926 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.944 -0.500 8.968 1.00 15.00 H new ATOM 0 HA LYS A 252 4.455 -0.814 11.827 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.879 0.762 9.644 1.00 15.00 H new ATOM 0 HB3 LYS A 252 6.421 0.653 11.307 1.00 15.00 H new ATOM 0 HG2 LYS A 252 6.197 -1.646 9.332 1.00 15.00 H new ATOM 0 HG3 LYS A 252 7.678 -0.898 9.897 1.00 15.00 H new ATOM 0 HD2 LYS A 252 7.042 -1.585 12.256 1.00 15.00 H new ATOM 0 HD3 LYS A 252 5.682 -2.462 11.582 1.00 15.00 H new ATOM 0 HE2 LYS A 252 7.517 -4.013 11.919 1.00 15.00 H new ATOM 0 HE3 LYS A 252 7.255 -3.818 10.198 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 9.630 -3.728 11.030 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 9.147 -2.484 9.980 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 9.263 -2.190 11.649 1.00 15.00 H new ATOM 358 N ASN A 253 3.344 1.968 10.458 1.00 15.00 N ATOM 359 CA ASN A 253 2.754 3.268 10.752 1.00 15.00 C ATOM 360 C ASN A 253 1.231 3.193 10.749 1.00 15.00 C ATOM 361 O ASN A 253 0.560 4.156 11.124 1.00 15.00 O ATOM 362 CB ASN A 253 3.218 4.310 9.727 1.00 15.00 C ATOM 363 CG ASN A 253 4.710 4.588 9.788 1.00 15.00 C ATOM 364 OD1 ASN A 253 5.514 3.878 9.180 1.00 15.00 O ATOM 365 ND2 ASN A 253 5.088 5.643 10.489 1.00 15.00 N ATOM 0 H ASN A 253 3.362 1.728 9.467 1.00 15.00 H new ATOM 0 HA ASN A 253 3.086 3.566 11.746 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.960 3.965 8.726 1.00 15.00 H new ATOM 0 HB3 ASN A 253 2.675 5.240 9.893 1.00 15.00 H new ATOM 0 HD21 ASN A 253 6.075 5.894 10.540 1.00 15.00 H new ATOM 0 HD22 ASN A 253 4.392 6.206 10.979 1.00 15.00 H new ATOM 372 N LYS A 254 0.694 2.048 10.312 1.00 15.00 N ATOM 373 CA LYS A 254 -0.757 1.849 10.236 1.00 15.00 C ATOM 374 C LYS A 254 -1.365 2.885 9.281 1.00 15.00 C ATOM 375 O LYS A 254 -2.451 3.422 9.509 1.00 15.00 O ATOM 376 CB LYS A 254 -1.361 1.945 11.649 1.00 15.00 C ATOM 377 CG LYS A 254 -2.823 1.542 11.751 1.00 15.00 C ATOM 378 CD LYS A 254 -3.266 1.459 13.201 1.00 15.00 C ATOM 379 CE LYS A 254 -4.773 1.310 13.323 1.00 15.00 C ATOM 380 NZ LYS A 254 -5.204 1.199 14.742 1.00 15.00 N1+ ATOM 0 H LYS A 254 1.243 1.245 10.006 1.00 15.00 H new ATOM 0 HA LYS A 254 -0.985 0.859 9.842 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -0.778 1.315 12.321 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -1.257 2.970 12.004 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -3.441 2.265 11.219 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -2.973 0.577 11.266 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -2.777 0.612 13.683 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -2.945 2.356 13.731 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -5.262 2.168 12.861 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -5.096 0.425 12.775 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -6.238 1.099 14.784 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -4.758 0.366 15.176 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -4.918 2.054 15.260 1.00 15.00 H new ATOM 394 N THR A 255 -0.670 3.116 8.174 1.00 15.00 N ATOM 395 CA THR A 255 -1.025 4.186 7.244 1.00 15.00 C ATOM 396 C THR A 255 -1.212 3.633 5.823 1.00 15.00 C ATOM 397 O THR A 255 -0.580 2.641 5.460 1.00 15.00 O ATOM 398 CB THR A 255 0.088 5.261 7.234 1.00 15.00 C ATOM 399 OG1 THR A 255 0.498 5.541 8.576 1.00 15.00 O ATOM 400 CG2 THR A 255 -0.380 6.554 6.581 1.00 15.00 C ATOM 0 H THR A 255 0.148 2.574 7.895 1.00 15.00 H new ATOM 0 HA THR A 255 -1.964 4.630 7.574 1.00 15.00 H new ATOM 0 HB THR A 255 0.922 4.866 6.653 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.204 6.221 8.567 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.431 7.282 6.594 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.673 6.356 5.550 1.00 15.00 H new ATOM 0 HG23 THR A 255 -1.234 6.951 7.131 1.00 15.00 H new ATOM 408 N THR A 256 -2.095 4.244 5.031 1.00 15.00 N ATOM 409 CA THR A 256 -2.244 3.857 3.637 1.00 15.00 C ATOM 410 C THR A 256 -1.507 4.837 2.717 1.00 15.00 C ATOM 411 O THR A 256 -1.496 6.045 2.959 1.00 15.00 O ATOM 412 CB THR A 256 -3.726 3.801 3.214 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.520 3.217 4.256 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.881 2.970 1.948 1.00 15.00 C ATOM 0 H THR A 256 -2.710 5.001 5.332 1.00 15.00 H new ATOM 0 HA THR A 256 -1.811 2.861 3.541 1.00 15.00 H new ATOM 0 HB THR A 256 -4.066 4.820 3.026 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.259 2.710 3.859 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.932 2.938 1.660 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.298 3.419 1.144 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.525 1.957 2.132 1.00 15.00 H new ATOM 422 N SER A 257 -0.890 4.299 1.676 1.00 15.00 N ATOM 423 CA SER A 257 -0.202 5.090 0.663 1.00 15.00 C ATOM 424 C SER A 257 -0.466 4.447 -0.690 1.00 15.00 C ATOM 425 O SER A 257 -0.670 3.251 -0.753 1.00 15.00 O ATOM 426 CB SER A 257 1.300 5.133 0.954 1.00 15.00 C ATOM 427 OG SER A 257 1.981 5.983 0.045 1.00 15.00 O ATOM 0 H SER A 257 -0.851 3.294 1.508 1.00 15.00 H new ATOM 0 HA SER A 257 -0.570 6.116 0.668 1.00 15.00 H new ATOM 0 HB2 SER A 257 1.464 5.482 1.973 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.713 4.126 0.891 1.00 15.00 H new ATOM 0 HG SER A 257 2.938 5.990 0.258 1.00 15.00 H new ATOM 433 N TRP A 258 -0.491 5.218 -1.764 1.00 15.00 N ATOM 434 CA TRP A 258 -0.788 4.648 -3.076 1.00 15.00 C ATOM 435 C TRP A 258 0.405 3.900 -3.674 1.00 15.00 C ATOM 436 O TRP A 258 0.400 2.676 -3.766 1.00 15.00 O ATOM 437 CB TRP A 258 -1.248 5.731 -4.053 1.00 15.00 C ATOM 438 CG TRP A 258 -2.721 5.998 -4.009 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.334 7.175 -3.696 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.768 5.063 -4.293 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.698 7.030 -3.775 1.00 15.00 N ATOM 442 CE2 TRP A 258 -4.989 5.742 -4.138 1.00 15.00 C ATOM 443 CE3 TRP A 258 -3.790 3.717 -4.665 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.218 5.119 -4.345 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -5.008 3.101 -4.867 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.208 3.801 -4.707 1.00 15.00 C ATOM 0 H TRP A 258 -0.313 6.222 -1.760 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.593 3.929 -2.921 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.714 6.656 -3.834 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -0.972 5.435 -5.065 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -2.823 8.087 -3.426 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.383 7.763 -3.593 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -2.869 3.167 -4.792 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.146 5.658 -4.224 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -5.035 2.060 -5.154 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -7.145 3.290 -4.873 1.00 15.00 H new ATOM 457 N LEU A 259 1.425 4.646 -4.062 1.00 15.00 N ATOM 458 CA LEU A 259 2.523 4.113 -4.861 1.00 15.00 C ATOM 459 C LEU A 259 3.883 4.232 -4.188 1.00 15.00 C ATOM 460 O LEU A 259 4.064 5.012 -3.251 1.00 15.00 O ATOM 461 CB LEU A 259 2.532 4.693 -6.267 1.00 15.00 C ATOM 462 CG LEU A 259 1.714 3.868 -7.266 1.00 15.00 C ATOM 463 CD1 LEU A 259 1.901 4.394 -8.675 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.111 2.396 -7.185 1.00 15.00 C ATOM 0 H LEU A 259 1.519 5.636 -3.835 1.00 15.00 H new ATOM 0 HA LEU A 259 2.333 3.043 -4.946 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.138 5.709 -6.236 1.00 15.00 H new ATOM 0 HB3 LEU A 259 3.562 4.761 -6.619 1.00 15.00 H new ATOM 0 HG LEU A 259 0.659 3.958 -7.008 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.312 3.794 -9.369 1.00 15.00 H new ATOM 0 HD12 LEU A 259 1.572 5.432 -8.723 1.00 15.00 H new ATOM 0 HD13 LEU A 259 2.954 4.335 -8.949 1.00 15.00 H new ATOM 0 HD21 LEU A 259 1.523 1.821 -7.900 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.170 2.291 -7.420 1.00 15.00 H new ATOM 0 HD23 LEU A 259 1.924 2.024 -6.178 1.00 15.00 H new ATOM 476 N ASP A 260 4.828 3.433 -4.691 1.00 15.00 N ATOM 477 CA ASP A 260 6.110 3.166 -4.040 1.00 15.00 C ATOM 478 C ASP A 260 6.907 4.454 -3.822 1.00 15.00 C ATOM 479 O ASP A 260 7.306 5.145 -4.763 1.00 15.00 O ATOM 480 CB ASP A 260 6.907 2.211 -4.950 1.00 15.00 C ATOM 481 CG ASP A 260 8.289 1.828 -4.436 1.00 15.00 C ATOM 482 OD1 ASP A 260 8.868 2.568 -3.619 1.00 15.00 O ATOM 483 OD2 ASP A 260 8.806 0.779 -4.876 1.00 15.00 O1- ATOM 0 H ASP A 260 4.719 2.945 -5.580 1.00 15.00 H new ATOM 0 HA ASP A 260 5.933 2.722 -3.060 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.325 1.301 -5.093 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.017 2.676 -5.930 1.00 15.00 H new ATOM 488 N PRO A 261 7.118 4.777 -2.534 1.00 15.00 N ATOM 489 CA PRO A 261 7.788 5.995 -2.082 1.00 15.00 C ATOM 490 C PRO A 261 9.310 5.919 -2.156 1.00 15.00 C ATOM 491 O PRO A 261 9.999 6.919 -1.946 1.00 15.00 O ATOM 492 CB PRO A 261 7.328 6.110 -0.634 1.00 15.00 C ATOM 493 CG PRO A 261 7.149 4.702 -0.186 1.00 15.00 C ATOM 494 CD PRO A 261 6.709 3.931 -1.399 1.00 15.00 C ATOM 0 HA PRO A 261 7.537 6.850 -2.709 1.00 15.00 H new ATOM 0 HB2 PRO A 261 8.066 6.630 -0.023 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.397 6.672 -0.557 1.00 15.00 H new ATOM 0 HG2 PRO A 261 8.079 4.300 0.215 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.405 4.637 0.608 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.184 2.951 -1.442 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.632 3.763 -1.395 1.00 15.00 H new ATOM 502 N ARG A 262 9.839 4.731 -2.409 1.00 15.00 N ATOM 503 CA ARG A 262 11.282 4.532 -2.454 1.00 15.00 C ATOM 504 C ARG A 262 11.848 5.150 -3.733 1.00 15.00 C ATOM 505 O ARG A 262 13.042 5.438 -3.830 1.00 15.00 O ATOM 506 CB ARG A 262 11.609 3.026 -2.326 1.00 15.00 C ATOM 507 CG ARG A 262 12.520 2.454 -3.408 1.00 15.00 C ATOM 508 CD ARG A 262 13.987 2.726 -3.116 1.00 15.00 C ATOM 509 NE ARG A 262 14.858 2.293 -4.210 1.00 15.00 N ATOM 510 CZ ARG A 262 15.643 3.118 -4.902 1.00 15.00 C ATOM 511 NH1 ARG A 262 15.588 4.427 -4.688 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 16.455 2.636 -5.832 1.00 15.00 N ATOM 0 H ARG A 262 9.291 3.889 -2.587 1.00 15.00 H new ATOM 0 HA ARG A 262 11.758 5.036 -1.613 1.00 15.00 H new ATOM 0 HB2 ARG A 262 12.076 2.855 -1.356 1.00 15.00 H new ATOM 0 HB3 ARG A 262 10.673 2.468 -2.332 1.00 15.00 H new ATOM 0 HG2 ARG A 262 12.359 1.379 -3.487 1.00 15.00 H new ATOM 0 HG3 ARG A 262 12.255 2.888 -4.372 1.00 15.00 H new ATOM 0 HD2 ARG A 262 14.129 3.792 -2.941 1.00 15.00 H new ATOM 0 HD3 ARG A 262 14.275 2.211 -2.199 1.00 15.00 H new ATOM 0 HE ARG A 262 14.864 1.303 -4.457 1.00 15.00 H new ATOM 0 HH11 ARG A 262 14.944 4.803 -3.993 1.00 15.00 H new ATOM 0 HH12 ARG A 262 16.190 5.056 -5.219 1.00 15.00 H new ATOM 0 HH21 ARG A 262 16.479 1.633 -6.018 1.00 15.00 H new ATOM 0 HH22 ARG A 262 17.056 3.268 -6.362 1.00 15.00 H new ATOM 526 N LEU A 263 10.973 5.362 -4.705 1.00 15.00 N ATOM 527 CA LEU A 263 11.360 5.979 -5.965 1.00 15.00 C ATOM 528 C LEU A 263 11.454 7.501 -5.836 1.00 15.00 C ATOM 529 O LEU A 263 11.997 8.174 -6.716 1.00 15.00 O ATOM 530 CB LEU A 263 10.353 5.612 -7.059 1.00 15.00 C ATOM 531 CG LEU A 263 10.158 4.111 -7.282 1.00 15.00 C ATOM 532 CD1 LEU A 263 9.044 3.864 -8.287 1.00 15.00 C ATOM 533 CD2 LEU A 263 11.454 3.466 -7.752 1.00 15.00 C ATOM 0 H LEU A 263 9.985 5.114 -4.644 1.00 15.00 H new ATOM 0 HA LEU A 263 12.346 5.600 -6.235 1.00 15.00 H new ATOM 0 HB2 LEU A 263 9.389 6.055 -6.808 1.00 15.00 H new ATOM 0 HB3 LEU A 263 10.677 6.064 -7.996 1.00 15.00 H new ATOM 0 HG LEU A 263 9.874 3.656 -6.333 1.00 15.00 H new ATOM 0 HD11 LEU A 263 8.918 2.791 -8.434 1.00 15.00 H new ATOM 0 HD12 LEU A 263 8.114 4.290 -7.911 1.00 15.00 H new ATOM 0 HD13 LEU A 263 9.300 4.333 -9.237 1.00 15.00 H new ATOM 0 HD21 LEU A 263 11.295 2.399 -7.905 1.00 15.00 H new ATOM 0 HD22 LEU A 263 11.769 3.924 -8.690 1.00 15.00 H new ATOM 0 HD23 LEU A 263 12.228 3.613 -6.998 1.00 15.00 H new ATOM 545 N ASP A 264 10.902 8.042 -4.752 1.00 15.00 N ATOM 546 CA ASP A 264 10.867 9.495 -4.551 1.00 15.00 C ATOM 547 C ASP A 264 12.252 10.138 -4.360 1.00 15.00 C ATOM 548 O ASP A 264 12.547 11.144 -5.000 1.00 15.00 O ATOM 549 CB ASP A 264 9.941 9.875 -3.389 1.00 15.00 C ATOM 550 CG ASP A 264 9.895 11.376 -3.154 1.00 15.00 C ATOM 551 OD1 ASP A 264 9.392 12.105 -4.034 1.00 15.00 O1- ATOM 552 OD2 ASP A 264 10.361 11.832 -2.089 1.00 15.00 O ATOM 0 H ASP A 264 10.474 7.502 -4.000 1.00 15.00 H new ATOM 0 HA ASP A 264 10.467 9.900 -5.481 1.00 15.00 H new ATOM 0 HB2 ASP A 264 8.935 9.511 -3.596 1.00 15.00 H new ATOM 0 HB3 ASP A 264 10.280 9.378 -2.480 1.00 15.00 H new ATOM 557 N PRO A 265 13.103 9.610 -3.460 1.00 15.00 N ATOM 558 CA PRO A 265 14.456 10.141 -3.244 1.00 15.00 C ATOM 559 C PRO A 265 15.357 9.946 -4.463 1.00 15.00 C ATOM 560 O PRO A 265 16.060 8.920 -4.531 1.00 15.00 O ATOM 561 CB PRO A 265 14.979 9.325 -2.056 1.00 15.00 C ATOM 562 CG PRO A 265 14.172 8.075 -2.073 1.00 15.00 C ATOM 563 CD PRO A 265 12.818 8.478 -2.578 1.00 15.00 C ATOM 564 OXT PRO A 265 15.354 10.823 -5.355 1.00 15.00 O ATOM 0 HA PRO A 265 14.446 11.216 -3.065 1.00 15.00 H new ATOM 0 HB2 PRO A 265 16.043 9.111 -2.160 1.00 15.00 H new ATOM 0 HB3 PRO A 265 14.853 9.865 -1.118 1.00 15.00 H new ATOM 0 HG2 PRO A 265 14.625 7.324 -2.721 1.00 15.00 H new ATOM 0 HG3 PRO A 265 14.105 7.638 -1.077 1.00 15.00 H new ATOM 0 HD2 PRO A 265 12.332 7.664 -3.115 1.00 15.00 H new ATOM 0 HD3 PRO A 265 12.154 8.763 -1.762 1.00 15.00 H new ATOM 573 N SER B 206 -7.437 11.051 -4.870 1.00 15.00 N ATOM 574 CA SER B 206 -8.342 9.955 -4.467 1.00 15.00 C ATOM 575 C SER B 206 -7.825 9.268 -3.207 1.00 15.00 C ATOM 576 O SER B 206 -6.671 8.838 -3.152 1.00 15.00 O ATOM 577 CB SER B 206 -8.458 8.944 -5.610 1.00 15.00 C ATOM 578 OG SER B 206 -8.940 9.568 -6.792 1.00 15.00 O ATOM 0 HA SER B 206 -9.326 10.370 -4.249 1.00 15.00 H new ATOM 0 HB2 SER B 206 -7.484 8.494 -5.803 1.00 15.00 H new ATOM 0 HB3 SER B 206 -9.131 8.137 -5.320 1.00 15.00 H new ATOM 0 HG SER B 206 -8.555 10.466 -6.868 1.00 15.00 H new ATOM 586 N PRO B 207 -8.676 9.161 -2.174 1.00 15.00 N ATOM 587 CA PRO B 207 -8.318 8.508 -0.912 1.00 15.00 C ATOM 588 C PRO B 207 -8.127 7.003 -1.087 1.00 15.00 C ATOM 589 O PRO B 207 -8.988 6.323 -1.654 1.00 15.00 O ATOM 590 CB PRO B 207 -9.516 8.790 0.007 1.00 15.00 C ATOM 591 CG PRO B 207 -10.320 9.839 -0.687 1.00 15.00 C ATOM 592 CD PRO B 207 -10.054 9.667 -2.152 1.00 15.00 C ATOM 0 HA PRO B 207 -7.374 8.882 -0.516 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -10.106 7.888 0.169 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.185 9.135 0.987 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.382 9.725 -0.468 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.031 10.836 -0.353 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.750 8.965 -2.610 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.148 10.608 -2.694 1.00 15.00 H new ATOM 600 N PRO B 208 -7.004 6.462 -0.598 1.00 15.00 N ATOM 601 CA PRO B 208 -6.688 5.043 -0.723 1.00 15.00 C ATOM 602 C PRO B 208 -7.476 4.195 0.275 1.00 15.00 C ATOM 603 O PRO B 208 -7.743 4.636 1.395 1.00 15.00 O ATOM 604 CB PRO B 208 -5.180 4.978 -0.414 1.00 15.00 C ATOM 605 CG PRO B 208 -4.729 6.394 -0.258 1.00 15.00 C ATOM 606 CD PRO B 208 -5.948 7.175 0.125 1.00 15.00 C ATOM 0 HA PRO B 208 -6.946 4.650 -1.706 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.992 4.407 0.495 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.638 4.483 -1.219 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.957 6.476 0.507 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -4.299 6.771 -1.186 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -6.115 7.169 1.202 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.877 8.219 -0.181 1.00 15.00 H new ATOM 614 N PRO B 209 -7.852 2.967 -0.128 1.00 15.00 N ATOM 615 CA PRO B 209 -8.595 2.023 0.720 1.00 15.00 C ATOM 616 C PRO B 209 -7.978 1.856 2.111 1.00 15.00 C ATOM 617 O PRO B 209 -6.754 1.839 2.265 1.00 15.00 O ATOM 618 CB PRO B 209 -8.522 0.697 -0.056 1.00 15.00 C ATOM 619 CG PRO B 209 -7.578 0.929 -1.189 1.00 15.00 C ATOM 620 CD PRO B 209 -7.591 2.402 -1.455 1.00 15.00 C ATOM 0 HA PRO B 209 -9.611 2.373 0.903 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.169 -0.111 0.586 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.506 0.406 -0.423 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.574 0.589 -0.934 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -7.888 0.372 -2.073 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.641 2.748 -1.863 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -8.365 2.677 -2.172 1.00 15.00 H new ATOM 628 N PRO B 210 -8.835 1.713 3.135 1.00 15.00 N ATOM 629 CA PRO B 210 -8.410 1.592 4.535 1.00 15.00 C ATOM 630 C PRO B 210 -7.395 0.472 4.765 1.00 15.00 C ATOM 631 O PRO B 210 -7.534 -0.630 4.239 1.00 15.00 O ATOM 632 CB PRO B 210 -9.713 1.284 5.277 1.00 15.00 C ATOM 633 CG PRO B 210 -10.787 1.830 4.407 1.00 15.00 C ATOM 634 CD PRO B 210 -10.302 1.653 2.999 1.00 15.00 C ATOM 0 HA PRO B 210 -7.904 2.496 4.873 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -9.836 0.212 5.431 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -9.727 1.751 6.262 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.726 1.301 4.566 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -10.972 2.881 4.628 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.628 0.702 2.578 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.678 2.438 2.343 1.00 15.00 H new ATOM 642 N TYR B 211 -6.390 0.770 5.583 1.00 15.00 N ATOM 643 CA TYR B 211 -5.354 -0.196 5.940 1.00 15.00 C ATOM 644 C TYR B 211 -5.917 -1.320 6.825 1.00 15.00 C ATOM 645 O TYR B 211 -5.269 -2.345 7.035 1.00 15.00 O ATOM 646 CB TYR B 211 -4.196 0.540 6.641 1.00 15.00 C ATOM 647 CG TYR B 211 -3.287 -0.341 7.475 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.441 -1.269 6.881 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.288 -0.248 8.859 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.627 -2.081 7.646 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.473 -1.051 9.629 1.00 15.00 C ATOM 652 CZ TYR B 211 -1.648 -1.967 9.019 1.00 15.00 C ATOM 653 OH TYR B 211 -0.841 -2.772 9.788 1.00 15.00 O ATOM 0 H TYR B 211 -6.270 1.685 6.017 1.00 15.00 H new ATOM 0 HA TYR B 211 -4.980 -0.667 5.031 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.594 1.043 5.884 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.614 1.315 7.283 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.420 -1.357 5.805 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -3.939 0.466 9.342 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -0.978 -2.801 7.171 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.483 -0.961 10.705 1.00 15.00 H new ATOM 0 HH TYR B 211 -0.519 -3.524 9.248 1.00 15.00 H new ATOM 663 N SER B 212 -7.127 -1.124 7.328 1.00 15.00 N ATOM 664 CA SER B 212 -7.742 -2.086 8.231 1.00 15.00 C ATOM 665 C SER B 212 -7.949 -3.443 7.553 1.00 15.00 C ATOM 666 O SER B 212 -7.494 -4.474 8.056 1.00 15.00 O ATOM 667 CB SER B 212 -9.072 -1.529 8.746 1.00 15.00 C ATOM 668 OG SER B 212 -9.810 -0.926 7.694 1.00 15.00 O ATOM 0 H SER B 212 -7.703 -0.307 7.126 1.00 15.00 H new ATOM 0 HA SER B 212 -7.069 -2.246 9.073 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.658 -2.332 9.193 1.00 15.00 H new ATOM 0 HB3 SER B 212 -8.884 -0.796 9.531 1.00 15.00 H new ATOM 0 HG SER B 212 -10.656 -0.579 8.045 1.00 15.00 H new ATOM 674 N ARG B 213 -8.658 -3.448 6.433 1.00 15.00 N ATOM 675 CA ARG B 213 -8.887 -4.675 5.692 1.00 15.00 C ATOM 676 C ARG B 213 -9.043 -4.395 4.199 1.00 15.00 C ATOM 677 O ARG B 213 -9.254 -3.256 3.790 1.00 15.00 O ATOM 678 CB ARG B 213 -10.079 -5.454 6.229 1.00 15.00 C ATOM 679 CG ARG B 213 -9.923 -6.944 5.994 1.00 15.00 C ATOM 680 CD ARG B 213 -8.820 -7.540 6.859 1.00 15.00 C ATOM 681 NE ARG B 213 -9.069 -7.381 8.291 1.00 15.00 N ATOM 682 CZ ARG B 213 -9.258 -8.407 9.124 1.00 15.00 C ATOM 683 NH1 ARG B 213 -9.349 -9.642 8.648 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -9.384 -8.199 10.429 1.00 15.00 N ATOM 0 H ARG B 213 -9.083 -2.617 6.020 1.00 15.00 H new ATOM 0 HA ARG B 213 -8.006 -5.301 5.831 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.188 -5.263 7.297 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -10.991 -5.102 5.747 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.866 -7.447 6.210 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.698 -7.125 4.943 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.718 -8.601 6.629 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -7.871 -7.067 6.606 1.00 15.00 H new ATOM 0 HE ARG B 213 -9.100 -6.436 8.674 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -9.275 -9.809 7.644 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -9.493 -10.425 9.286 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -9.337 -7.251 10.801 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -9.528 -8.988 11.060 1.00 15.00 H new ATOM 698 N TYR B 214 -8.961 -5.452 3.394 1.00 15.00 N ATOM 699 CA TYR B 214 -8.819 -5.319 1.949 1.00 15.00 C ATOM 700 C TYR B 214 -10.190 -5.263 1.289 1.00 15.00 C ATOM 701 O TYR B 214 -11.099 -6.006 1.660 1.00 15.00 O ATOM 702 CB TYR B 214 -8.028 -6.512 1.381 1.00 15.00 C ATOM 703 CG TYR B 214 -6.868 -6.964 2.248 1.00 15.00 C ATOM 704 CD1 TYR B 214 -6.268 -6.097 3.149 1.00 15.00 C ATOM 705 CD2 TYR B 214 -6.391 -8.267 2.180 1.00 15.00 C ATOM 706 CE1 TYR B 214 -5.236 -6.505 3.954 1.00 15.00 C ATOM 707 CE2 TYR B 214 -5.347 -8.684 2.984 1.00 15.00 C ATOM 708 CZ TYR B 214 -4.772 -7.798 3.871 1.00 15.00 C ATOM 709 OH TYR B 214 -3.735 -8.209 4.676 1.00 15.00 O ATOM 0 H TYR B 214 -8.991 -6.417 3.723 1.00 15.00 H new ATOM 0 HA TYR B 214 -8.280 -4.395 1.739 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.710 -7.351 1.241 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.647 -6.244 0.396 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.621 -5.079 3.218 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.842 -8.964 1.489 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -4.788 -5.813 4.652 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.983 -9.699 2.918 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.531 -9.150 4.492 1.00 15.00 H new ATOM 719 N PRO B 215 -10.339 -4.395 0.278 1.00 15.00 N ATOM 720 CA PRO B 215 -11.622 -4.127 -0.361 1.00 15.00 C ATOM 721 C PRO B 215 -12.064 -5.261 -1.283 1.00 15.00 C ATOM 722 O PRO B 215 -12.782 -6.170 -0.863 1.00 15.00 O ATOM 723 CB PRO B 215 -11.372 -2.837 -1.163 1.00 15.00 C ATOM 724 CG PRO B 215 -9.976 -2.402 -0.834 1.00 15.00 C ATOM 725 CD PRO B 215 -9.263 -3.618 -0.336 1.00 15.00 C ATOM 0 HA PRO B 215 -12.424 -4.033 0.371 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -11.482 -3.017 -2.233 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -12.093 -2.066 -0.894 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -9.479 -1.993 -1.714 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -9.982 -1.617 -0.077 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -8.781 -4.165 -1.146 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.485 -3.364 0.384 1.00 15.00 H new