USER MOD reduce.3.24.130724 H: found=0, std=0, add=347, rem=0, adj=13 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= 0.263 F(o=-0.25,f=0.39) USER MOD Set 1.2: B 211 TYR OH : rot 2:sc= 0.132 USER MOD Single : A 238 GLN : amide:sc= -2.33! C(o=-2.3!,f=-4.5!) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 241 THR OG1 : rot 180:sc= 0 USER MOD Single : A 242 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 247 TYR OH : rot 180:sc= -0.729 USER MOD Single : A 248 TYR OH : rot 0:sc= -1.63! USER MOD Single : A 250 ASN : amide:sc= -0.0302 K(o=-0.03,f=-10!) USER MOD Single : A 252 LYS NZ :NH3+ -163:sc= 1.2 (180deg=0.968) USER MOD Single : A 253 ASN : amide:sc= -0.0667 K(o=-0.067,f=-4.1!) 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 180:sc= 0 USER MOD Single : A 257 SER OG : rot 180:sc= -0.003 USER MOD Single : B 206 SER OG : rot -23:sc= 0.187 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 9.343 -1.114 -5.845 1.00 15.00 N ATOM 2 CA GLY A 230 10.690 -1.739 -5.814 1.00 15.00 C ATOM 3 C GLY A 230 11.013 -2.279 -4.437 1.00 15.00 C ATOM 4 O GLY A 230 10.171 -2.933 -3.828 1.00 15.00 O ATOM 0 HA2 GLY A 230 10.735 -2.547 -6.544 1.00 15.00 H new ATOM 0 HA3 GLY A 230 11.441 -1.004 -6.105 1.00 15.00 H new ATOM 10 N PRO A 231 12.233 -2.060 -3.932 1.00 15.00 N ATOM 11 CA PRO A 231 12.567 -2.345 -2.540 1.00 15.00 C ATOM 12 C PRO A 231 12.000 -1.270 -1.619 1.00 15.00 C ATOM 13 O PRO A 231 12.367 -0.096 -1.720 1.00 15.00 O ATOM 14 CB PRO A 231 14.103 -2.331 -2.506 1.00 15.00 C ATOM 15 CG PRO A 231 14.544 -2.181 -3.928 1.00 15.00 C ATOM 16 CD PRO A 231 13.394 -1.563 -4.668 1.00 15.00 C ATOM 0 HA PRO A 231 12.151 -3.293 -2.199 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.473 -1.508 -1.894 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.492 -3.252 -2.071 1.00 15.00 H new ATOM 0 HG2 PRO A 231 15.431 -1.551 -3.995 1.00 15.00 H new ATOM 0 HG3 PRO A 231 14.806 -3.148 -4.357 1.00 15.00 H new ATOM 0 HD2 PRO A 231 13.444 -0.474 -4.658 1.00 15.00 H new ATOM 0 HD3 PRO A 231 13.373 -1.871 -5.713 1.00 15.00 H new ATOM 24 N LEU A 232 11.084 -1.664 -0.752 1.00 15.00 N ATOM 25 CA LEU A 232 10.432 -0.725 0.145 1.00 15.00 C ATOM 26 C LEU A 232 11.120 -0.668 1.494 1.00 15.00 C ATOM 27 O LEU A 232 11.872 -1.574 1.845 1.00 15.00 O ATOM 28 CB LEU A 232 8.936 -0.991 0.346 1.00 15.00 C ATOM 29 CG LEU A 232 8.043 -0.576 -0.814 1.00 15.00 C ATOM 30 CD1 LEU A 232 8.270 0.872 -1.200 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.245 -1.482 -2.010 1.00 15.00 C ATOM 0 H LEU A 232 10.774 -2.630 -0.650 1.00 15.00 H new ATOM 0 HA LEU A 232 10.522 0.240 -0.354 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.794 -2.056 0.530 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.607 -0.466 1.243 1.00 15.00 H new ATOM 0 HG LEU A 232 7.011 -0.676 -0.479 1.00 15.00 H new ATOM 0 HD11 LEU A 232 7.616 1.134 -2.031 1.00 15.00 H new ATOM 0 HD12 LEU A 232 8.049 1.515 -0.348 1.00 15.00 H new ATOM 0 HD13 LEU A 232 9.309 1.010 -1.499 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.594 -1.161 -2.823 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.284 -1.430 -2.335 1.00 15.00 H new ATOM 0 HD23 LEU A 232 8.002 -2.508 -1.734 1.00 15.00 H new ATOM 43 N PRO A 233 10.877 0.413 2.266 1.00 15.00 N ATOM 44 CA PRO A 233 11.475 0.606 3.600 1.00 15.00 C ATOM 45 C PRO A 233 11.117 -0.527 4.578 1.00 15.00 C ATOM 46 O PRO A 233 11.619 -0.568 5.700 1.00 15.00 O ATOM 47 CB PRO A 233 10.829 1.921 4.060 1.00 15.00 C ATOM 48 CG PRO A 233 10.518 2.629 2.794 1.00 15.00 C ATOM 49 CD PRO A 233 9.987 1.553 1.924 1.00 15.00 C ATOM 0 HA PRO A 233 12.564 0.617 3.569 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.929 1.740 4.648 1.00 15.00 H new ATOM 0 HB3 PRO A 233 11.507 2.501 4.686 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.786 3.422 2.946 1.00 15.00 H new ATOM 0 HG3 PRO A 233 11.406 3.093 2.364 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.941 1.333 2.139 1.00 15.00 H new ATOM 0 HD3 PRO A 233 10.047 1.815 0.868 1.00 15.00 H new ATOM 57 N ASP A 234 10.185 -1.385 4.149 1.00 15.00 N ATOM 58 CA ASP A 234 9.726 -2.560 4.910 1.00 15.00 C ATOM 59 C ASP A 234 8.682 -2.167 5.934 1.00 15.00 C ATOM 60 O ASP A 234 8.254 -2.979 6.759 1.00 15.00 O ATOM 61 CB ASP A 234 10.883 -3.309 5.591 1.00 15.00 C ATOM 62 CG ASP A 234 11.691 -4.151 4.625 1.00 15.00 C ATOM 63 OD1 ASP A 234 11.237 -5.262 4.271 1.00 15.00 O1- ATOM 64 OD2 ASP A 234 12.789 -3.716 4.222 1.00 15.00 O ATOM 0 H ASP A 234 9.718 -1.284 3.248 1.00 15.00 H new ATOM 0 HA ASP A 234 9.277 -3.242 4.188 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.542 -2.587 6.074 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.482 -3.950 6.376 1.00 15.00 H new ATOM 69 N GLY A 235 8.227 -0.931 5.841 1.00 15.00 N ATOM 70 CA GLY A 235 7.081 -0.517 6.607 1.00 15.00 C ATOM 71 C GLY A 235 5.811 -0.903 5.893 1.00 15.00 C ATOM 72 O GLY A 235 4.830 -1.305 6.511 1.00 15.00 O ATOM 0 H GLY A 235 8.633 -0.208 5.247 1.00 15.00 H new ATOM 0 HA2 GLY A 235 7.107 -0.980 7.594 1.00 15.00 H new ATOM 0 HA3 GLY A 235 7.107 0.562 6.760 1.00 15.00 H new ATOM 76 N TRP A 236 5.862 -0.828 4.571 1.00 15.00 N ATOM 77 CA TRP A 236 4.711 -1.115 3.735 1.00 15.00 C ATOM 78 C TRP A 236 4.994 -2.056 2.586 1.00 15.00 C ATOM 79 O TRP A 236 6.091 -2.096 2.027 1.00 15.00 O ATOM 80 CB TRP A 236 4.036 0.162 3.233 1.00 15.00 C ATOM 81 CG TRP A 236 4.922 1.359 3.055 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.254 1.410 2.766 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.490 2.710 3.194 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.675 2.720 2.752 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.604 3.534 3.006 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.258 3.292 3.467 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.521 4.926 3.091 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.168 4.668 3.546 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.297 5.472 3.361 1.00 15.00 C ATOM 0 H TRP A 236 6.700 -0.567 4.052 1.00 15.00 H new ATOM 0 HA TRP A 236 4.019 -1.642 4.392 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.560 -0.056 2.277 1.00 15.00 H new ATOM 0 HB3 TRP A 236 3.242 0.426 3.931 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.883 0.553 2.577 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.630 3.034 2.580 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.383 2.677 3.615 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.392 5.548 2.949 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.213 5.129 3.753 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.200 6.545 3.433 1.00 15.00 H new ATOM 100 N GLU A 237 3.946 -2.786 2.238 1.00 15.00 N ATOM 101 CA GLU A 237 3.987 -3.815 1.231 1.00 15.00 C ATOM 102 C GLU A 237 2.932 -3.505 0.171 1.00 15.00 C ATOM 103 O GLU A 237 1.841 -3.038 0.505 1.00 15.00 O ATOM 104 CB GLU A 237 3.701 -5.157 1.913 1.00 15.00 C ATOM 105 CG GLU A 237 3.867 -6.357 1.013 1.00 15.00 C ATOM 106 CD GLU A 237 5.241 -6.413 0.386 1.00 15.00 C ATOM 107 OE1 GLU A 237 5.432 -5.809 -0.689 1.00 15.00 O ATOM 108 OE2 GLU A 237 6.141 -7.043 0.978 1.00 15.00 O1- ATOM 0 H GLU A 237 3.026 -2.671 2.662 1.00 15.00 H new ATOM 0 HA GLU A 237 4.962 -3.860 0.746 1.00 15.00 H new ATOM 0 HB2 GLU A 237 4.366 -5.265 2.770 1.00 15.00 H new ATOM 0 HB3 GLU A 237 2.682 -5.145 2.300 1.00 15.00 H new ATOM 0 HG2 GLU A 237 3.694 -7.267 1.588 1.00 15.00 H new ATOM 0 HG3 GLU A 237 3.112 -6.328 0.228 1.00 15.00 H new ATOM 115 N GLN A 238 3.237 -3.784 -1.090 1.00 15.00 N ATOM 116 CA GLN A 238 2.333 -3.442 -2.186 1.00 15.00 C ATOM 117 C GLN A 238 1.355 -4.594 -2.456 1.00 15.00 C ATOM 118 O GLN A 238 1.769 -5.691 -2.835 1.00 15.00 O ATOM 119 CB GLN A 238 3.134 -3.098 -3.458 1.00 15.00 C ATOM 120 CG GLN A 238 2.408 -3.389 -4.766 1.00 15.00 C ATOM 121 CD GLN A 238 3.360 -3.560 -5.940 1.00 15.00 C ATOM 122 OE1 GLN A 238 3.019 -3.257 -7.081 1.00 15.00 O ATOM 123 NE2 GLN A 238 4.555 -4.072 -5.673 1.00 15.00 N ATOM 0 H GLN A 238 4.100 -4.244 -1.381 1.00 15.00 H new ATOM 0 HA GLN A 238 1.755 -2.564 -1.897 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.396 -2.040 -3.431 1.00 15.00 H new ATOM 0 HB3 GLN A 238 4.069 -3.658 -3.445 1.00 15.00 H new ATOM 0 HG2 GLN A 238 1.812 -4.294 -4.652 1.00 15.00 H new ATOM 0 HG3 GLN A 238 1.715 -2.576 -4.981 1.00 15.00 H new ATOM 0 HE21 GLN A 238 4.804 -4.312 -4.713 1.00 15.00 H new ATOM 0 HE22 GLN A 238 5.224 -4.226 -6.427 1.00 15.00 H new ATOM 132 N ALA A 239 0.059 -4.355 -2.234 1.00 15.00 N ATOM 133 CA ALA A 239 -0.962 -5.348 -2.522 1.00 15.00 C ATOM 134 C ALA A 239 -1.833 -4.872 -3.676 1.00 15.00 C ATOM 135 O ALA A 239 -2.017 -3.675 -3.862 1.00 15.00 O ATOM 136 CB ALA A 239 -1.812 -5.612 -1.288 1.00 15.00 C ATOM 0 H ALA A 239 -0.301 -3.479 -1.855 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.476 -6.281 -2.807 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -2.571 -6.358 -1.522 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.178 -5.980 -0.481 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.296 -4.687 -0.975 1.00 15.00 H new ATOM 142 N MET A 240 -2.365 -5.806 -4.446 1.00 15.00 N ATOM 143 CA MET A 240 -3.151 -5.464 -5.625 1.00 15.00 C ATOM 144 C MET A 240 -4.640 -5.659 -5.362 1.00 15.00 C ATOM 145 O MET A 240 -5.059 -6.734 -4.938 1.00 15.00 O ATOM 146 CB MET A 240 -2.726 -6.336 -6.814 1.00 15.00 C ATOM 147 CG MET A 240 -1.270 -6.158 -7.214 1.00 15.00 C ATOM 148 SD MET A 240 -0.778 -7.240 -8.570 1.00 15.00 S ATOM 149 CE MET A 240 0.917 -6.712 -8.823 1.00 15.00 C ATOM 0 H MET A 240 -2.268 -6.807 -4.278 1.00 15.00 H new ATOM 0 HA MET A 240 -2.970 -4.415 -5.858 1.00 15.00 H new ATOM 0 HB2 MET A 240 -2.900 -7.383 -6.566 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.360 -6.102 -7.669 1.00 15.00 H new ATOM 0 HG2 MET A 240 -1.102 -5.121 -7.504 1.00 15.00 H new ATOM 0 HG3 MET A 240 -0.635 -6.354 -6.350 1.00 15.00 H new ATOM 0 HE1 MET A 240 1.361 -7.290 -9.633 1.00 15.00 H new ATOM 0 HE2 MET A 240 0.934 -5.653 -9.081 1.00 15.00 H new ATOM 0 HE3 MET A 240 1.488 -6.871 -7.908 1.00 15.00 H new ATOM 159 N THR A 241 -5.435 -4.623 -5.613 1.00 15.00 N ATOM 160 CA THR A 241 -6.883 -4.757 -5.540 1.00 15.00 C ATOM 161 C THR A 241 -7.413 -5.169 -6.913 1.00 15.00 C ATOM 162 O THR A 241 -6.816 -4.825 -7.945 1.00 15.00 O ATOM 163 CB THR A 241 -7.590 -3.470 -5.048 1.00 15.00 C ATOM 164 OG1 THR A 241 -8.933 -3.778 -4.649 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.616 -2.400 -6.125 1.00 15.00 C ATOM 0 H THR A 241 -5.104 -3.692 -5.866 1.00 15.00 H new ATOM 0 HA THR A 241 -7.108 -5.524 -4.799 1.00 15.00 H new ATOM 0 HB THR A 241 -7.027 -3.083 -4.199 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.377 -2.962 -4.337 1.00 15.00 H new ATOM 0 HG21 THR A 241 -8.120 -1.512 -5.743 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.595 -2.144 -6.409 1.00 15.00 H new ATOM 0 HG23 THR A 241 -8.152 -2.775 -6.997 1.00 15.00 H new ATOM 173 N GLN A 242 -8.522 -5.901 -6.911 1.00 15.00 N ATOM 174 CA GLN A 242 -9.002 -6.620 -8.093 1.00 15.00 C ATOM 175 C GLN A 242 -9.295 -5.704 -9.286 1.00 15.00 C ATOM 176 O GLN A 242 -9.214 -6.144 -10.434 1.00 15.00 O ATOM 177 CB GLN A 242 -10.247 -7.432 -7.726 1.00 15.00 C ATOM 178 CG GLN A 242 -10.746 -8.335 -8.842 1.00 15.00 C ATOM 179 CD GLN A 242 -11.815 -9.302 -8.376 1.00 15.00 C ATOM 180 OE1 GLN A 242 -12.588 -8.907 -7.378 1.00 15.00 O flip ATOM 181 NE2 GLN A 242 -11.938 -10.407 -8.907 1.00 15.00 N flip ATOM 0 H GLN A 242 -9.117 -6.015 -6.090 1.00 15.00 H new ATOM 0 HA GLN A 242 -8.198 -7.283 -8.412 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -10.025 -8.042 -6.850 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -11.045 -6.746 -7.443 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -11.144 -7.721 -9.650 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -9.907 -8.897 -9.252 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -11.322 -10.675 -9.675 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -12.656 -11.053 -8.579 1.00 15.00 H new ATOM 190 N ASP A 243 -9.645 -4.444 -9.029 1.00 15.00 N ATOM 191 CA ASP A 243 -9.887 -3.488 -10.113 1.00 15.00 C ATOM 192 C ASP A 243 -8.616 -3.258 -10.924 1.00 15.00 C ATOM 193 O ASP A 243 -8.665 -2.857 -12.086 1.00 15.00 O ATOM 194 CB ASP A 243 -10.403 -2.149 -9.571 1.00 15.00 C ATOM 195 CG ASP A 243 -10.812 -1.189 -10.676 1.00 15.00 C ATOM 196 OD1 ASP A 243 -11.967 -1.276 -11.148 1.00 15.00 O ATOM 197 OD2 ASP A 243 -9.987 -0.343 -11.078 1.00 15.00 O1- ATOM 0 H ASP A 243 -9.767 -4.063 -8.091 1.00 15.00 H new ATOM 0 HA ASP A 243 -10.651 -3.917 -10.761 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.257 -2.330 -8.918 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -9.628 -1.685 -8.961 1.00 15.00 H new ATOM 202 N GLY A 244 -7.479 -3.531 -10.305 1.00 15.00 N ATOM 203 CA GLY A 244 -6.209 -3.310 -10.960 1.00 15.00 C ATOM 204 C GLY A 244 -5.482 -2.084 -10.444 1.00 15.00 C ATOM 205 O GLY A 244 -4.973 -1.284 -11.231 1.00 15.00 O ATOM 0 H GLY A 244 -7.413 -3.903 -9.357 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -5.577 -4.187 -10.820 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -6.373 -3.204 -12.032 1.00 15.00 H new ATOM 209 N GLU A 245 -5.432 -1.925 -9.128 1.00 15.00 N ATOM 210 CA GLU A 245 -4.674 -0.837 -8.517 1.00 15.00 C ATOM 211 C GLU A 245 -3.901 -1.362 -7.320 1.00 15.00 C ATOM 212 O GLU A 245 -4.444 -2.097 -6.491 1.00 15.00 O ATOM 213 CB GLU A 245 -5.580 0.325 -8.091 1.00 15.00 C ATOM 214 CG GLU A 245 -6.101 1.166 -9.246 1.00 15.00 C ATOM 215 CD GLU A 245 -6.874 2.386 -8.784 1.00 15.00 C ATOM 216 OE1 GLU A 245 -6.236 3.363 -8.337 1.00 15.00 O1- ATOM 217 OE2 GLU A 245 -8.117 2.388 -8.884 1.00 15.00 O ATOM 0 H GLU A 245 -5.907 -2.534 -8.462 1.00 15.00 H new ATOM 0 HA GLU A 245 -3.980 -0.452 -9.265 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.429 -0.075 -7.536 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -5.028 0.970 -7.407 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -5.262 1.486 -9.864 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -6.744 0.551 -9.876 1.00 15.00 H new ATOM 224 N ILE A 246 -2.637 -0.992 -7.235 1.00 15.00 N ATOM 225 CA ILE A 246 -1.787 -1.433 -6.142 1.00 15.00 C ATOM 226 C ILE A 246 -1.793 -0.409 -5.010 1.00 15.00 C ATOM 227 O ILE A 246 -1.773 0.794 -5.255 1.00 15.00 O ATOM 228 CB ILE A 246 -0.338 -1.676 -6.617 1.00 15.00 C ATOM 229 CG1 ILE A 246 0.263 -0.393 -7.202 1.00 15.00 C ATOM 230 CG2 ILE A 246 -0.303 -2.800 -7.643 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.662 -0.568 -7.749 1.00 15.00 C ATOM 0 H ILE A 246 -2.174 -0.385 -7.911 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.191 -2.376 -5.775 1.00 15.00 H new ATOM 0 HB ILE A 246 0.264 -1.970 -5.757 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.386 -0.030 -7.999 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.279 0.375 -6.429 1.00 15.00 H new ATOM 0 HG21 ILE A 246 0.724 -2.962 -7.970 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -0.689 -3.715 -7.194 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -0.919 -2.529 -8.501 1.00 15.00 H new ATOM 0 HD11 ILE A 246 2.019 0.383 -8.145 1.00 15.00 H new ATOM 0 HD12 ILE A 246 2.326 -0.901 -6.951 1.00 15.00 H new ATOM 0 HD13 ILE A 246 1.651 -1.312 -8.546 1.00 15.00 H new ATOM 243 N TYR A 247 -1.841 -0.888 -3.775 1.00 15.00 N ATOM 244 CA TYR A 247 -1.848 -0.012 -2.618 1.00 15.00 C ATOM 245 C TYR A 247 -0.867 -0.527 -1.557 1.00 15.00 C ATOM 246 O TYR A 247 -0.776 -1.737 -1.327 1.00 15.00 O ATOM 247 CB TYR A 247 -3.269 0.100 -2.033 1.00 15.00 C ATOM 248 CG TYR A 247 -3.897 -1.222 -1.615 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.485 -2.066 -2.551 1.00 15.00 C ATOM 250 CD2 TYR A 247 -3.906 -1.618 -0.281 1.00 15.00 C ATOM 251 CE1 TYR A 247 -5.059 -3.266 -2.170 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.478 -2.820 0.106 1.00 15.00 C ATOM 253 CZ TYR A 247 -5.052 -3.638 -0.843 1.00 15.00 C ATOM 254 OH TYR A 247 -5.623 -4.831 -0.463 1.00 15.00 O ATOM 0 H TYR A 247 -1.876 -1.882 -3.551 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.529 0.982 -2.932 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.238 0.761 -1.167 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -3.914 0.574 -2.773 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.494 -1.780 -3.592 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.460 -0.978 0.466 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.511 -3.909 -2.910 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.474 -3.114 1.145 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.532 -4.943 0.506 1.00 15.00 H new ATOM 264 N TYR A 248 -0.147 0.383 -0.907 1.00 15.00 N ATOM 265 CA TYR A 248 0.807 0.020 0.124 1.00 15.00 C ATOM 266 C TYR A 248 0.165 0.066 1.495 1.00 15.00 C ATOM 267 O TYR A 248 -0.276 1.125 1.949 1.00 15.00 O ATOM 268 CB TYR A 248 2.018 0.955 0.099 1.00 15.00 C ATOM 269 CG TYR A 248 3.028 0.570 -0.941 1.00 15.00 C ATOM 270 CD1 TYR A 248 2.913 1.002 -2.255 1.00 15.00 C ATOM 271 CD2 TYR A 248 4.089 -0.253 -0.607 1.00 15.00 C ATOM 272 CE1 TYR A 248 3.830 0.613 -3.212 1.00 15.00 C ATOM 273 CE2 TYR A 248 5.000 -0.639 -1.554 1.00 15.00 C ATOM 274 CZ TYR A 248 4.868 -0.209 -2.856 1.00 15.00 C ATOM 275 OH TYR A 248 5.782 -0.606 -3.803 1.00 15.00 O ATOM 0 H TYR A 248 -0.211 1.386 -1.082 1.00 15.00 H new ATOM 0 HA TYR A 248 1.138 -0.998 -0.080 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.680 1.974 -0.089 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.494 0.952 1.080 1.00 15.00 H new ATOM 0 HD1 TYR A 248 2.096 1.651 -2.533 1.00 15.00 H new ATOM 0 HD2 TYR A 248 4.200 -0.595 0.412 1.00 15.00 H new ATOM 0 HE1 TYR A 248 3.730 0.953 -4.232 1.00 15.00 H new ATOM 0 HE2 TYR A 248 5.823 -1.282 -1.279 1.00 15.00 H new ATOM 0 HH TYR A 248 5.545 -0.216 -4.670 1.00 15.00 H new ATOM 285 N ILE A 249 0.100 -1.084 2.140 1.00 15.00 N ATOM 286 CA ILE A 249 -0.346 -1.155 3.514 1.00 15.00 C ATOM 287 C ILE A 249 0.852 -1.057 4.448 1.00 15.00 C ATOM 288 O ILE A 249 1.728 -1.927 4.447 1.00 15.00 O ATOM 289 CB ILE A 249 -1.138 -2.456 3.789 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.409 -3.678 3.214 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.541 -2.349 3.216 1.00 15.00 C ATOM 292 CD1 ILE A 249 -1.139 -4.986 3.441 1.00 15.00 C ATOM 0 H ILE A 249 0.352 -1.983 1.730 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.019 -0.317 3.697 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.211 -2.589 4.868 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.265 -3.534 2.143 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.582 -3.743 3.663 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.087 -3.271 3.416 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.061 -1.511 3.680 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.483 -2.188 2.139 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -0.564 -5.804 3.007 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -1.259 -5.155 4.511 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -2.120 -4.942 2.968 1.00 15.00 H new ATOM 304 N ASN A 250 0.903 0.004 5.237 1.00 15.00 N ATOM 305 CA ASN A 250 2.037 0.226 6.117 1.00 15.00 C ATOM 306 C ASN A 250 1.766 -0.454 7.467 1.00 15.00 C ATOM 307 O ASN A 250 0.900 0.002 8.214 1.00 15.00 O ATOM 308 CB ASN A 250 2.291 1.727 6.322 1.00 15.00 C ATOM 309 CG ASN A 250 3.593 2.013 7.057 1.00 15.00 C ATOM 310 OD1 ASN A 250 4.026 1.245 7.914 1.00 15.00 O ATOM 311 ND2 ASN A 250 4.227 3.124 6.719 1.00 15.00 N ATOM 0 H ASN A 250 0.178 0.720 5.286 1.00 15.00 H new ATOM 0 HA ASN A 250 2.928 -0.203 5.659 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.311 2.223 5.351 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.461 2.157 6.883 1.00 15.00 H new ATOM 0 HD21 ASN A 250 5.106 3.368 7.174 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.836 3.736 6.003 1.00 15.00 H new ATOM 318 N HIS A 251 2.483 -1.549 7.777 1.00 15.00 N ATOM 319 CA HIS A 251 2.214 -2.327 8.972 1.00 15.00 C ATOM 320 C HIS A 251 2.874 -1.701 10.196 1.00 15.00 C ATOM 321 O HIS A 251 2.542 -2.038 11.329 1.00 15.00 O ATOM 322 CB HIS A 251 2.715 -3.766 8.785 1.00 15.00 C ATOM 323 CG HIS A 251 1.916 -4.575 7.799 1.00 15.00 C ATOM 324 ND1 HIS A 251 0.712 -5.184 7.932 1.00 15.00 N flip ATOM 325 CD2 HIS A 251 2.339 -4.852 6.505 1.00 15.00 C flip ATOM 326 CE1 HIS A 251 0.437 -5.806 6.742 1.00 15.00 C flip ATOM 327 NE2 HIS A 251 1.430 -5.590 5.901 1.00 15.00 N flip ATOM 0 H HIS A 251 3.251 -1.905 7.208 1.00 15.00 H new ATOM 0 HA HIS A 251 1.136 -2.338 9.135 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.754 -3.737 8.457 1.00 15.00 H new ATOM 0 HB3 HIS A 251 2.700 -4.272 9.750 1.00 15.00 H new ATOM 0 HD2 HIS A 251 3.266 -4.516 6.064 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -0.451 -6.381 6.527 1.00 15.00 H new ATOM 0 HE2 HIS A 251 1.485 -5.936 4.943 1.00 15.00 H new ATOM 336 N LYS A 252 3.832 -0.814 9.956 1.00 15.00 N ATOM 337 CA LYS A 252 4.520 -0.120 11.040 1.00 15.00 C ATOM 338 C LYS A 252 3.754 1.125 11.488 1.00 15.00 C ATOM 339 O LYS A 252 3.817 1.515 12.654 1.00 15.00 O ATOM 340 CB LYS A 252 5.940 0.290 10.624 1.00 15.00 C ATOM 341 CG LYS A 252 7.009 -0.777 10.828 1.00 15.00 C ATOM 342 CD LYS A 252 6.808 -1.985 9.929 1.00 15.00 C ATOM 343 CE LYS A 252 7.998 -2.930 10.008 1.00 15.00 C ATOM 344 NZ LYS A 252 7.780 -4.173 9.221 1.00 15.00 N1+ ATOM 0 H LYS A 252 4.151 -0.558 9.022 1.00 15.00 H new ATOM 0 HA LYS A 252 4.575 -0.821 11.873 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.926 0.571 9.571 1.00 15.00 H new ATOM 0 HB3 LYS A 252 6.224 1.179 11.187 1.00 15.00 H new ATOM 0 HG2 LYS A 252 7.991 -0.344 10.635 1.00 15.00 H new ATOM 0 HG3 LYS A 252 7.002 -1.099 11.869 1.00 15.00 H new ATOM 0 HD2 LYS A 252 5.900 -2.513 10.221 1.00 15.00 H new ATOM 0 HD3 LYS A 252 6.668 -1.657 8.899 1.00 15.00 H new ATOM 0 HE2 LYS A 252 8.889 -2.421 9.641 1.00 15.00 H new ATOM 0 HE3 LYS A 252 8.185 -3.190 11.050 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 8.461 -4.899 9.522 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 6.812 -4.519 9.380 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 7.914 -3.971 8.210 1.00 15.00 H new ATOM 358 N ASN A 253 3.059 1.767 10.558 1.00 15.00 N ATOM 359 CA ASN A 253 2.413 3.043 10.848 1.00 15.00 C ATOM 360 C ASN A 253 0.891 2.949 10.767 1.00 15.00 C ATOM 361 O ASN A 253 0.193 3.889 11.153 1.00 15.00 O ATOM 362 CB ASN A 253 2.903 4.134 9.883 1.00 15.00 C ATOM 363 CG ASN A 253 4.372 4.494 10.061 1.00 15.00 C ATOM 364 OD1 ASN A 253 5.197 3.664 10.448 1.00 15.00 O ATOM 365 ND2 ASN A 253 4.714 5.739 9.763 1.00 15.00 N ATOM 0 H ASN A 253 2.928 1.430 9.604 1.00 15.00 H new ATOM 0 HA ASN A 253 2.686 3.306 11.870 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.742 3.799 8.858 1.00 15.00 H new ATOM 0 HB3 ASN A 253 2.299 5.030 10.025 1.00 15.00 H new ATOM 0 HD21 ASN A 253 5.686 6.036 9.851 1.00 15.00 H new ATOM 0 HD22 ASN A 253 4.005 6.400 9.445 1.00 15.00 H new ATOM 372 N LYS A 254 0.381 1.823 10.261 1.00 15.00 N ATOM 373 CA LYS A 254 -1.062 1.645 10.054 1.00 15.00 C ATOM 374 C LYS A 254 -1.576 2.716 9.079 1.00 15.00 C ATOM 375 O LYS A 254 -2.593 3.373 9.309 1.00 15.00 O ATOM 376 CB LYS A 254 -1.810 1.715 11.400 1.00 15.00 C ATOM 377 CG LYS A 254 -3.291 1.377 11.312 1.00 15.00 C ATOM 378 CD LYS A 254 -4.035 1.737 12.589 1.00 15.00 C ATOM 379 CE LYS A 254 -3.559 0.924 13.781 1.00 15.00 C ATOM 380 NZ LYS A 254 -4.365 1.213 14.996 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.945 1.019 9.986 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.247 0.662 9.622 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.334 1.031 12.103 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -1.702 2.719 11.810 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -3.735 1.910 10.471 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.408 0.312 11.112 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -3.901 2.798 12.799 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -5.103 1.574 12.443 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -3.622 -0.139 13.546 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -2.510 1.146 13.978 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -4.013 0.641 15.790 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -4.285 2.222 15.234 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -5.362 0.978 14.815 1.00 15.00 H new ATOM 394 N THR A 255 -0.866 2.874 7.973 1.00 15.00 N ATOM 395 CA THR A 255 -1.155 3.940 7.019 1.00 15.00 C ATOM 396 C THR A 255 -1.193 3.383 5.590 1.00 15.00 C ATOM 397 O THR A 255 -0.474 2.437 5.283 1.00 15.00 O ATOM 398 CB THR A 255 -0.078 5.043 7.128 1.00 15.00 C ATOM 399 OG1 THR A 255 0.100 5.393 8.507 1.00 15.00 O ATOM 400 CG2 THR A 255 -0.457 6.291 6.341 1.00 15.00 C ATOM 0 H THR A 255 -0.082 2.277 7.711 1.00 15.00 H new ATOM 0 HA THR A 255 -2.131 4.366 7.251 1.00 15.00 H new ATOM 0 HB THR A 255 0.847 4.649 6.706 1.00 15.00 H new ATOM 0 HG1 THR A 255 0.784 6.091 8.582 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.328 7.040 6.446 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.576 6.035 5.288 1.00 15.00 H new ATOM 0 HG23 THR A 255 -1.395 6.693 6.725 1.00 15.00 H new ATOM 408 N THR A 256 -2.042 3.938 4.726 1.00 15.00 N ATOM 409 CA THR A 256 -2.124 3.473 3.350 1.00 15.00 C ATOM 410 C THR A 256 -1.629 4.544 2.373 1.00 15.00 C ATOM 411 O THR A 256 -1.889 5.734 2.556 1.00 15.00 O ATOM 412 CB THR A 256 -3.571 3.097 2.989 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.279 2.708 4.174 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.593 1.952 1.986 1.00 15.00 C ATOM 0 H THR A 256 -2.676 4.703 4.955 1.00 15.00 H new ATOM 0 HA THR A 256 -1.486 2.593 3.267 1.00 15.00 H new ATOM 0 HB THR A 256 -4.053 3.965 2.541 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.201 2.471 3.941 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.625 1.701 1.743 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.070 2.253 1.078 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.099 1.081 2.417 1.00 15.00 H new ATOM 422 N SER A 257 -0.894 4.118 1.355 1.00 15.00 N ATOM 423 CA SER A 257 -0.426 5.011 0.298 1.00 15.00 C ATOM 424 C SER A 257 -0.298 4.228 -1.005 1.00 15.00 C ATOM 425 O SER A 257 0.238 3.135 -1.004 1.00 15.00 O ATOM 426 CB SER A 257 0.919 5.632 0.689 1.00 15.00 C ATOM 427 OG SER A 257 0.799 6.376 1.889 1.00 15.00 O ATOM 0 H SER A 257 -0.605 3.147 1.236 1.00 15.00 H new ATOM 0 HA SER A 257 -1.145 5.818 0.158 1.00 15.00 H new ATOM 0 HB2 SER A 257 1.664 4.847 0.815 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.272 6.281 -0.113 1.00 15.00 H new ATOM 0 HG SER A 257 1.669 6.763 2.122 1.00 15.00 H new ATOM 433 N TRP A 258 -0.762 4.799 -2.113 1.00 15.00 N ATOM 434 CA TRP A 258 -0.863 4.060 -3.380 1.00 15.00 C ATOM 435 C TRP A 258 0.482 3.525 -3.878 1.00 15.00 C ATOM 436 O TRP A 258 0.652 2.323 -4.051 1.00 15.00 O ATOM 437 CB TRP A 258 -1.461 4.947 -4.475 1.00 15.00 C ATOM 438 CG TRP A 258 -2.943 5.144 -4.378 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.600 6.313 -4.135 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.956 4.142 -4.544 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.957 6.100 -4.138 1.00 15.00 N ATOM 442 CE2 TRP A 258 -5.200 4.776 -4.385 1.00 15.00 C ATOM 443 CE3 TRP A 258 -3.928 2.773 -4.810 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.407 4.083 -4.487 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -5.123 2.088 -4.912 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.347 2.743 -4.752 1.00 15.00 C ATOM 0 H TRP A 258 -1.075 5.768 -2.165 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.510 3.208 -3.172 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.975 5.922 -4.440 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -1.229 4.510 -5.446 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -3.123 7.267 -3.965 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.669 6.814 -3.981 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -2.987 2.257 -4.934 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.354 4.587 -4.361 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -5.111 1.028 -5.119 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -7.264 2.179 -4.839 1.00 15.00 H new ATOM 457 N LEU A 259 1.427 4.421 -4.100 1.00 15.00 N ATOM 458 CA LEU A 259 2.629 4.090 -4.852 1.00 15.00 C ATOM 459 C LEU A 259 3.912 4.245 -4.056 1.00 15.00 C ATOM 460 O LEU A 259 3.956 4.932 -3.036 1.00 15.00 O ATOM 461 CB LEU A 259 2.694 4.855 -6.167 1.00 15.00 C ATOM 462 CG LEU A 259 2.030 4.120 -7.333 1.00 15.00 C ATOM 463 CD1 LEU A 259 2.227 4.881 -8.634 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.589 2.701 -7.442 1.00 15.00 C ATOM 0 H LEU A 259 1.387 5.386 -3.771 1.00 15.00 H new ATOM 0 HA LEU A 259 2.549 3.027 -5.079 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.214 5.825 -6.038 1.00 15.00 H new ATOM 0 HB3 LEU A 259 3.738 5.047 -6.416 1.00 15.00 H new ATOM 0 HG LEU A 259 0.958 4.059 -7.143 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.746 4.339 -9.449 1.00 15.00 H new ATOM 0 HD12 LEU A 259 1.783 5.873 -8.546 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.293 4.977 -8.841 1.00 15.00 H new ATOM 0 HD21 LEU A 259 2.111 2.185 -8.274 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.665 2.746 -7.612 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.390 2.160 -6.517 1.00 15.00 H new ATOM 476 N ASP A 260 4.950 3.588 -4.570 1.00 15.00 N ATOM 477 CA ASP A 260 6.208 3.365 -3.866 1.00 15.00 C ATOM 478 C ASP A 260 6.872 4.684 -3.469 1.00 15.00 C ATOM 479 O ASP A 260 7.238 5.503 -4.315 1.00 15.00 O ATOM 480 CB ASP A 260 7.139 2.576 -4.800 1.00 15.00 C ATOM 481 CG ASP A 260 8.444 2.146 -4.157 1.00 15.00 C ATOM 482 OD1 ASP A 260 9.124 2.993 -3.542 1.00 15.00 O ATOM 483 OD2 ASP A 260 8.805 0.957 -4.297 1.00 15.00 O1- ATOM 0 H ASP A 260 4.938 3.188 -5.508 1.00 15.00 H new ATOM 0 HA ASP A 260 6.012 2.810 -2.948 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.613 1.690 -5.156 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.362 3.187 -5.674 1.00 15.00 H new ATOM 488 N PRO A 261 7.013 4.890 -2.150 1.00 15.00 N ATOM 489 CA PRO A 261 7.572 6.111 -1.569 1.00 15.00 C ATOM 490 C PRO A 261 9.096 6.143 -1.596 1.00 15.00 C ATOM 491 O PRO A 261 9.705 7.197 -1.418 1.00 15.00 O ATOM 492 CB PRO A 261 7.080 6.037 -0.129 1.00 15.00 C ATOM 493 CG PRO A 261 7.098 4.580 0.162 1.00 15.00 C ATOM 494 CD PRO A 261 6.628 3.923 -1.105 1.00 15.00 C ATOM 0 HA PRO A 261 7.267 7.002 -2.117 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.731 6.591 0.548 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.079 6.456 -0.023 1.00 15.00 H new ATOM 0 HG2 PRO A 261 8.099 4.244 0.433 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.443 4.337 0.999 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.105 2.955 -1.257 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.552 3.750 -1.093 1.00 15.00 H new ATOM 502 N ARG A 262 9.705 4.979 -1.764 1.00 15.00 N ATOM 503 CA ARG A 262 11.154 4.870 -1.765 1.00 15.00 C ATOM 504 C ARG A 262 11.680 5.286 -3.141 1.00 15.00 C ATOM 505 O ARG A 262 12.734 5.905 -3.259 1.00 15.00 O ATOM 506 CB ARG A 262 11.567 3.438 -1.353 1.00 15.00 C ATOM 507 CG ARG A 262 13.027 3.267 -0.924 1.00 15.00 C ATOM 508 CD ARG A 262 14.027 3.478 -2.053 1.00 15.00 C ATOM 509 NE ARG A 262 13.872 2.510 -3.139 1.00 15.00 N ATOM 510 CZ ARG A 262 14.730 2.396 -4.156 1.00 15.00 C ATOM 511 NH1 ARG A 262 15.838 3.128 -4.183 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 14.485 1.541 -5.140 1.00 15.00 N ATOM 0 H ARG A 262 9.216 4.095 -1.902 1.00 15.00 H new ATOM 0 HA ARG A 262 11.602 5.542 -1.033 1.00 15.00 H new ATOM 0 HB2 ARG A 262 10.926 3.116 -0.532 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.372 2.768 -2.191 1.00 15.00 H new ATOM 0 HG2 ARG A 262 13.245 3.971 -0.121 1.00 15.00 H new ATOM 0 HG3 ARG A 262 13.161 2.266 -0.515 1.00 15.00 H new ATOM 0 HD2 ARG A 262 13.910 4.486 -2.452 1.00 15.00 H new ATOM 0 HD3 ARG A 262 15.039 3.409 -1.653 1.00 15.00 H new ATOM 0 HE ARG A 262 13.064 1.888 -3.118 1.00 15.00 H new ATOM 0 HH11 ARG A 262 16.037 3.781 -3.425 1.00 15.00 H new ATOM 0 HH12 ARG A 262 16.490 3.037 -4.962 1.00 15.00 H new ATOM 0 HH21 ARG A 262 13.640 0.970 -5.121 1.00 15.00 H new ATOM 0 HH22 ARG A 262 15.141 1.455 -5.916 1.00 15.00 H new ATOM 526 N LEU A 263 10.924 4.944 -4.178 1.00 15.00 N ATOM 527 CA LEU A 263 11.222 5.401 -5.537 1.00 15.00 C ATOM 528 C LEU A 263 10.728 6.831 -5.757 1.00 15.00 C ATOM 529 O LEU A 263 11.013 7.445 -6.785 1.00 15.00 O ATOM 530 CB LEU A 263 10.586 4.479 -6.586 1.00 15.00 C ATOM 531 CG LEU A 263 11.368 3.205 -6.925 1.00 15.00 C ATOM 532 CD1 LEU A 263 11.412 2.259 -5.741 1.00 15.00 C ATOM 533 CD2 LEU A 263 10.749 2.512 -8.128 1.00 15.00 C ATOM 0 H LEU A 263 10.098 4.351 -4.107 1.00 15.00 H new ATOM 0 HA LEU A 263 12.306 5.375 -5.653 1.00 15.00 H new ATOM 0 HB2 LEU A 263 9.596 4.190 -6.234 1.00 15.00 H new ATOM 0 HB3 LEU A 263 10.445 5.050 -7.504 1.00 15.00 H new ATOM 0 HG LEU A 263 12.391 3.491 -7.168 1.00 15.00 H new ATOM 0 HD11 LEU A 263 11.973 1.364 -6.011 1.00 15.00 H new ATOM 0 HD12 LEU A 263 11.898 2.752 -4.899 1.00 15.00 H new ATOM 0 HD13 LEU A 263 10.396 1.980 -5.461 1.00 15.00 H new ATOM 0 HD21 LEU A 263 11.314 1.609 -8.358 1.00 15.00 H new ATOM 0 HD22 LEU A 263 9.716 2.247 -7.903 1.00 15.00 H new ATOM 0 HD23 LEU A 263 10.773 3.183 -8.987 1.00 15.00 H new ATOM 545 N ASP A 264 9.959 7.335 -4.801 1.00 15.00 N ATOM 546 CA ASP A 264 9.339 8.661 -4.905 1.00 15.00 C ATOM 547 C ASP A 264 10.349 9.820 -5.007 1.00 15.00 C ATOM 548 O ASP A 264 10.200 10.678 -5.878 1.00 15.00 O ATOM 549 CB ASP A 264 8.371 8.887 -3.740 1.00 15.00 C ATOM 550 CG ASP A 264 7.761 10.274 -3.729 1.00 15.00 C ATOM 551 OD1 ASP A 264 6.893 10.556 -4.582 1.00 15.00 O1- ATOM 552 OD2 ASP A 264 8.136 11.083 -2.851 1.00 15.00 O ATOM 0 H ASP A 264 9.745 6.844 -3.933 1.00 15.00 H new ATOM 0 HA ASP A 264 8.790 8.666 -5.847 1.00 15.00 H new ATOM 0 HB2 ASP A 264 7.573 8.147 -3.791 1.00 15.00 H new ATOM 0 HB3 ASP A 264 8.899 8.722 -2.801 1.00 15.00 H new ATOM 557 N PRO A 265 11.363 9.891 -4.117 1.00 15.00 N ATOM 558 CA PRO A 265 12.379 10.955 -4.147 1.00 15.00 C ATOM 559 C PRO A 265 13.190 10.950 -5.441 1.00 15.00 C ATOM 560 O PRO A 265 14.052 10.064 -5.606 1.00 15.00 O ATOM 561 CB PRO A 265 13.283 10.633 -2.949 1.00 15.00 C ATOM 562 CG PRO A 265 13.037 9.195 -2.658 1.00 15.00 C ATOM 563 CD PRO A 265 11.602 8.951 -3.019 1.00 15.00 C ATOM 564 OXT PRO A 265 12.975 11.844 -6.286 1.00 15.00 O ATOM 0 HA PRO A 265 11.925 11.945 -4.098 1.00 15.00 H new ATOM 0 HB2 PRO A 265 14.331 10.814 -3.186 1.00 15.00 H new ATOM 0 HB3 PRO A 265 13.037 11.257 -2.090 1.00 15.00 H new ATOM 0 HG2 PRO A 265 13.702 8.558 -3.241 1.00 15.00 H new ATOM 0 HG3 PRO A 265 13.221 8.971 -1.607 1.00 15.00 H new ATOM 0 HD2 PRO A 265 11.436 7.920 -3.330 1.00 15.00 H new ATOM 0 HD3 PRO A 265 10.938 9.141 -2.176 1.00 15.00 H new ATOM 573 N SER B 206 -7.800 9.991 -5.468 1.00 15.00 N ATOM 574 CA SER B 206 -8.464 8.939 -4.675 1.00 15.00 C ATOM 575 C SER B 206 -7.636 8.581 -3.444 1.00 15.00 C ATOM 576 O SER B 206 -6.451 8.261 -3.553 1.00 15.00 O ATOM 577 CB SER B 206 -8.681 7.699 -5.545 1.00 15.00 C ATOM 578 OG SER B 206 -7.485 7.311 -6.202 1.00 15.00 O ATOM 0 HA SER B 206 -9.429 9.315 -4.335 1.00 15.00 H new ATOM 0 HB2 SER B 206 -9.041 6.877 -4.926 1.00 15.00 H new ATOM 0 HB3 SER B 206 -9.455 7.903 -6.285 1.00 15.00 H new ATOM 0 HG SER B 206 -6.884 8.082 -6.269 1.00 15.00 H new ATOM 586 N PRO B 207 -8.235 8.663 -2.248 1.00 15.00 N ATOM 587 CA PRO B 207 -7.613 8.177 -1.017 1.00 15.00 C ATOM 588 C PRO B 207 -7.562 6.651 -1.004 1.00 15.00 C ATOM 589 O PRO B 207 -8.551 5.993 -1.337 1.00 15.00 O ATOM 590 CB PRO B 207 -8.536 8.694 0.099 1.00 15.00 C ATOM 591 CG PRO B 207 -9.439 9.686 -0.560 1.00 15.00 C ATOM 592 CD PRO B 207 -9.553 9.252 -1.992 1.00 15.00 C ATOM 0 HA PRO B 207 -6.584 8.520 -0.906 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.106 7.880 0.546 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -7.961 9.158 0.901 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.417 9.704 -0.079 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -9.030 10.694 -0.489 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.356 8.529 -2.135 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -9.759 10.092 -2.656 1.00 15.00 H new ATOM 600 N PRO B 208 -6.418 6.067 -0.617 1.00 15.00 N ATOM 601 CA PRO B 208 -6.231 4.616 -0.637 1.00 15.00 C ATOM 602 C PRO B 208 -7.126 3.909 0.376 1.00 15.00 C ATOM 603 O PRO B 208 -7.305 4.390 1.499 1.00 15.00 O ATOM 604 CB PRO B 208 -4.752 4.425 -0.268 1.00 15.00 C ATOM 605 CG PRO B 208 -4.129 5.776 -0.376 1.00 15.00 C ATOM 606 CD PRO B 208 -5.226 6.763 -0.111 1.00 15.00 C ATOM 0 HA PRO B 208 -6.493 4.190 -1.605 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.649 4.026 0.741 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.269 3.717 -0.941 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.319 5.890 0.345 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.698 5.928 -1.366 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.313 6.996 0.950 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.057 7.706 -0.631 1.00 15.00 H new ATOM 614 N PRO B 209 -7.689 2.753 -0.014 1.00 15.00 N ATOM 615 CA PRO B 209 -8.552 1.941 0.852 1.00 15.00 C ATOM 616 C PRO B 209 -7.922 1.683 2.218 1.00 15.00 C ATOM 617 O PRO B 209 -6.720 1.431 2.317 1.00 15.00 O ATOM 618 CB PRO B 209 -8.709 0.621 0.081 1.00 15.00 C ATOM 619 CG PRO B 209 -7.714 0.680 -1.031 1.00 15.00 C ATOM 620 CD PRO B 209 -7.524 2.133 -1.333 1.00 15.00 C ATOM 0 HA PRO B 209 -9.498 2.441 1.059 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.521 -0.235 0.729 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.722 0.512 -0.306 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.773 0.215 -0.738 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -8.075 0.143 -1.908 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.540 2.335 -1.756 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -8.260 2.499 -2.049 1.00 15.00 H new ATOM 628 N PRO B 210 -8.739 1.742 3.285 1.00 15.00 N ATOM 629 CA PRO B 210 -8.275 1.570 4.668 1.00 15.00 C ATOM 630 C PRO B 210 -7.400 0.332 4.862 1.00 15.00 C ATOM 631 O PRO B 210 -7.786 -0.779 4.505 1.00 15.00 O ATOM 632 CB PRO B 210 -9.576 1.430 5.460 1.00 15.00 C ATOM 633 CG PRO B 210 -10.586 2.175 4.659 1.00 15.00 C ATOM 634 CD PRO B 210 -10.195 1.982 3.219 1.00 15.00 C ATOM 0 HA PRO B 210 -7.645 2.402 4.983 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -9.857 0.384 5.578 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -9.477 1.849 6.462 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.590 1.794 4.845 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -10.592 3.232 4.924 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.721 1.139 2.770 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.430 2.861 2.618 1.00 15.00 H new ATOM 642 N TYR B 211 -6.231 0.545 5.457 1.00 15.00 N ATOM 643 CA TYR B 211 -5.263 -0.517 5.723 1.00 15.00 C ATOM 644 C TYR B 211 -5.834 -1.609 6.641 1.00 15.00 C ATOM 645 O TYR B 211 -5.275 -2.703 6.744 1.00 15.00 O ATOM 646 CB TYR B 211 -3.992 0.115 6.326 1.00 15.00 C ATOM 647 CG TYR B 211 -3.194 -0.780 7.252 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.342 -1.759 6.757 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.300 -0.640 8.628 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.618 -2.572 7.610 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.580 -1.443 9.486 1.00 15.00 C ATOM 652 CZ TYR B 211 -1.741 -2.408 8.974 1.00 15.00 C ATOM 653 OH TYR B 211 -1.031 -3.220 9.828 1.00 15.00 O ATOM 0 H TYR B 211 -5.925 1.466 5.771 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.019 -1.013 4.784 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.344 0.434 5.510 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.279 1.012 6.875 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.243 -1.887 5.689 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -3.959 0.113 9.035 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -0.961 -3.330 7.211 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.673 -1.316 10.554 1.00 15.00 H new ATOM 0 HH TYR B 211 -0.469 -3.831 9.307 1.00 15.00 H new ATOM 663 N SER B 212 -6.947 -1.314 7.302 1.00 15.00 N ATOM 664 CA SER B 212 -7.539 -2.243 8.251 1.00 15.00 C ATOM 665 C SER B 212 -7.933 -3.559 7.578 1.00 15.00 C ATOM 666 O SER B 212 -7.783 -4.629 8.167 1.00 15.00 O ATOM 667 CB SER B 212 -8.756 -1.615 8.933 1.00 15.00 C ATOM 668 OG SER B 212 -9.252 -2.447 9.966 1.00 15.00 O ATOM 0 H SER B 212 -7.457 -0.437 7.197 1.00 15.00 H new ATOM 0 HA SER B 212 -6.785 -2.464 9.006 1.00 15.00 H new ATOM 0 HB2 SER B 212 -8.484 -0.643 9.345 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.539 -1.441 8.195 1.00 15.00 H new ATOM 0 HG SER B 212 -10.028 -2.020 10.385 1.00 15.00 H new ATOM 674 N ARG B 213 -8.486 -3.479 6.371 1.00 15.00 N ATOM 675 CA ARG B 213 -8.838 -4.683 5.631 1.00 15.00 C ATOM 676 C ARG B 213 -8.752 -4.446 4.126 1.00 15.00 C ATOM 677 O ARG B 213 -8.723 -3.308 3.673 1.00 15.00 O ATOM 678 CB ARG B 213 -10.220 -5.196 6.006 1.00 15.00 C ATOM 679 CG ARG B 213 -10.329 -6.699 5.824 1.00 15.00 C ATOM 680 CD ARG B 213 -9.707 -7.452 6.991 1.00 15.00 C ATOM 681 NE ARG B 213 -10.363 -7.167 8.268 1.00 15.00 N ATOM 682 CZ ARG B 213 -10.123 -7.846 9.392 1.00 15.00 C ATOM 683 NH1 ARG B 213 -9.302 -8.892 9.375 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -10.727 -7.500 10.522 1.00 15.00 N ATOM 0 H ARG B 213 -8.697 -2.604 5.891 1.00 15.00 H new ATOM 0 HA ARG B 213 -8.113 -5.449 5.906 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.435 -4.938 7.043 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -10.971 -4.700 5.392 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -11.378 -6.979 5.727 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.835 -6.991 4.897 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.757 -8.523 6.794 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.651 -7.190 7.064 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.042 -6.407 8.301 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.855 -9.176 8.503 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -9.119 -9.411 10.234 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -11.376 -6.714 10.533 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -10.542 -8.021 11.379 1.00 15.00 H new ATOM 698 N TYR B 214 -8.750 -5.531 3.361 1.00 15.00 N ATOM 699 CA TYR B 214 -8.459 -5.470 1.934 1.00 15.00 C ATOM 700 C TYR B 214 -9.734 -5.253 1.134 1.00 15.00 C ATOM 701 O TYR B 214 -10.727 -5.959 1.327 1.00 15.00 O ATOM 702 CB TYR B 214 -7.785 -6.770 1.463 1.00 15.00 C ATOM 703 CG TYR B 214 -6.689 -7.284 2.375 1.00 15.00 C ATOM 704 CD1 TYR B 214 -6.158 -6.488 3.376 1.00 15.00 C ATOM 705 CD2 TYR B 214 -6.206 -8.578 2.246 1.00 15.00 C ATOM 706 CE1 TYR B 214 -5.188 -6.955 4.223 1.00 15.00 C ATOM 707 CE2 TYR B 214 -5.222 -9.057 3.089 1.00 15.00 C ATOM 708 CZ TYR B 214 -4.716 -8.243 4.078 1.00 15.00 C ATOM 709 OH TYR B 214 -3.745 -8.722 4.928 1.00 15.00 O ATOM 0 H TYR B 214 -8.948 -6.469 3.708 1.00 15.00 H new ATOM 0 HA TYR B 214 -7.783 -4.631 1.769 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.547 -7.543 1.363 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.365 -6.606 0.470 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.517 -5.476 3.492 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.605 -9.220 1.475 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -4.794 -6.318 5.001 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.851 -10.065 2.973 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.527 -9.647 4.688 1.00 15.00 H new ATOM 719 N PRO B 215 -9.716 -4.276 0.223 1.00 15.00 N ATOM 720 CA PRO B 215 -10.839 -4.007 -0.674 1.00 15.00 C ATOM 721 C PRO B 215 -11.031 -5.128 -1.693 1.00 15.00 C ATOM 722 O PRO B 215 -10.067 -5.613 -2.287 1.00 15.00 O ATOM 723 CB PRO B 215 -10.429 -2.709 -1.377 1.00 15.00 C ATOM 724 CG PRO B 215 -8.944 -2.698 -1.311 1.00 15.00 C ATOM 725 CD PRO B 215 -8.592 -3.350 -0.006 1.00 15.00 C ATOM 0 HA PRO B 215 -11.786 -3.933 -0.140 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -10.780 -2.689 -2.409 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -10.854 -1.837 -0.879 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -8.511 -3.242 -2.150 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -8.557 -1.680 -1.357 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.640 -3.879 -0.064 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.502 -2.619 0.798 1.00 15.00 H new