USER MOD reduce.3.24.130724 H: found=0, std=0, add=314, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 315 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 318 HIS : +bothHN:sc= -2.89! C(o=-5.3!,f=-20!) USER MOD Set 1.2: B 211 TYR OH : rot -179:sc= -2.38! USER MOD Set 1.3: B 214 TYR OH : rot -120:sc=0.000422 USER MOD Set 2.1: A 320 ASN : amide:sc= 1.2 K(o=2.2,f=-0.032) USER MOD Set 2.2: A 322 THR OG1 : rot 151:sc= 0.954 USER MOD Set 3.1: A 308 THR OG1 : rot -12:sc= 0.577 USER MOD Set 3.2: A 310 THR OG1 : rot 4:sc= 1.03 USER MOD Single : A 307 ASN : amide:sc= -2.01 K(o=-2,f=-6.5!) USER MOD Single : A 314 TYR OH : rot 142:sc= 0.199 USER MOD Single : A 319 ASN : amide:sc= -0.0223 K(o=-0.022,f=-1.7!) USER MOD Single : A 323 THR OG1 : rot 172:sc= -1.19 USER MOD Single : A 324 GLN :FLIP amide:sc= -0.971 F(o=-1.7!,f=-0.97) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 299 5.433 5.799 10.142 1.00 15.00 N ATOM 25 CA LEU A 299 5.212 5.837 8.702 1.00 15.00 C ATOM 26 C LEU A 299 6.241 6.745 8.028 1.00 15.00 C ATOM 27 O LEU A 299 6.371 7.917 8.392 1.00 15.00 O ATOM 28 CB LEU A 299 3.798 6.347 8.399 1.00 15.00 C ATOM 29 CG LEU A 299 3.429 6.404 6.916 1.00 15.00 C ATOM 30 CD1 LEU A 299 3.292 5.004 6.340 1.00 15.00 C ATOM 31 CD2 LEU A 299 2.147 7.195 6.720 1.00 15.00 C ATOM 0 HA LEU A 299 5.321 4.826 8.309 1.00 15.00 H new ATOM 0 HB2 LEU A 299 3.081 5.706 8.911 1.00 15.00 H new ATOM 0 HB3 LEU A 299 3.691 7.346 8.822 1.00 15.00 H new ATOM 0 HG LEU A 299 4.232 6.911 6.381 1.00 15.00 H new ATOM 0 HD11 LEU A 299 3.029 5.069 5.284 1.00 15.00 H new ATOM 0 HD12 LEU A 299 4.238 4.473 6.446 1.00 15.00 H new ATOM 0 HD13 LEU A 299 2.511 4.465 6.876 1.00 15.00 H new ATOM 0 HD21 LEU A 299 1.898 7.227 5.659 1.00 15.00 H new ATOM 0 HD22 LEU A 299 1.336 6.716 7.269 1.00 15.00 H new ATOM 0 HD23 LEU A 299 2.286 8.211 7.090 1.00 15.00 H new ATOM 43 N PRO A 300 6.988 6.220 7.043 1.00 15.00 N ATOM 44 CA PRO A 300 7.988 7.006 6.314 1.00 15.00 C ATOM 45 C PRO A 300 7.332 8.101 5.469 1.00 15.00 C ATOM 46 O PRO A 300 6.327 7.856 4.805 1.00 15.00 O ATOM 47 CB PRO A 300 8.686 5.972 5.422 1.00 15.00 C ATOM 48 CG PRO A 300 8.297 4.643 5.978 1.00 15.00 C ATOM 49 CD PRO A 300 6.928 4.834 6.549 1.00 15.00 C ATOM 0 HA PRO A 300 8.676 7.525 6.982 1.00 15.00 H new ATOM 0 HB2 PRO A 300 8.370 6.071 4.384 1.00 15.00 H new ATOM 0 HB3 PRO A 300 9.768 6.104 5.440 1.00 15.00 H new ATOM 0 HG2 PRO A 300 8.295 3.878 5.201 1.00 15.00 H new ATOM 0 HG3 PRO A 300 9.000 4.317 6.745 1.00 15.00 H new ATOM 0 HD2 PRO A 300 6.151 4.703 5.796 1.00 15.00 H new ATOM 0 HD3 PRO A 300 6.718 4.125 7.350 1.00 15.00 H new ATOM 57 N PRO A 301 7.913 9.313 5.461 1.00 15.00 N ATOM 58 CA PRO A 301 7.309 10.496 4.820 1.00 15.00 C ATOM 59 C PRO A 301 7.105 10.352 3.308 1.00 15.00 C ATOM 60 O PRO A 301 6.315 11.086 2.710 1.00 15.00 O ATOM 61 CB PRO A 301 8.310 11.621 5.112 1.00 15.00 C ATOM 62 CG PRO A 301 9.136 11.125 6.248 1.00 15.00 C ATOM 63 CD PRO A 301 9.206 9.636 6.084 1.00 15.00 C ATOM 0 HA PRO A 301 6.307 10.672 5.210 1.00 15.00 H new ATOM 0 HB2 PRO A 301 8.928 11.834 4.240 1.00 15.00 H new ATOM 0 HB3 PRO A 301 7.797 12.547 5.373 1.00 15.00 H new ATOM 0 HG2 PRO A 301 10.132 11.567 6.229 1.00 15.00 H new ATOM 0 HG3 PRO A 301 8.686 11.392 7.204 1.00 15.00 H new ATOM 0 HD2 PRO A 301 10.044 9.338 5.454 1.00 15.00 H new ATOM 0 HD3 PRO A 301 9.331 9.130 7.041 1.00 15.00 H new ATOM 71 N GLY A 302 7.837 9.435 2.692 1.00 15.00 N ATOM 72 CA GLY A 302 7.701 9.207 1.263 1.00 15.00 C ATOM 73 C GLY A 302 6.653 8.157 0.959 1.00 15.00 C ATOM 74 O GLY A 302 6.198 8.017 -0.179 1.00 15.00 O ATOM 0 H GLY A 302 8.525 8.842 3.156 1.00 15.00 H new ATOM 0 HA2 GLY A 302 7.433 10.141 0.770 1.00 15.00 H new ATOM 0 HA3 GLY A 302 8.660 8.893 0.852 1.00 15.00 H new ATOM 78 N TRP A 303 6.277 7.426 1.992 1.00 15.00 N ATOM 79 CA TRP A 303 5.372 6.299 1.867 1.00 15.00 C ATOM 80 C TRP A 303 3.922 6.712 2.067 1.00 15.00 C ATOM 81 O TRP A 303 3.632 7.642 2.821 1.00 15.00 O ATOM 82 CB TRP A 303 5.729 5.241 2.891 1.00 15.00 C ATOM 83 CG TRP A 303 6.776 4.302 2.414 1.00 15.00 C ATOM 84 CD1 TRP A 303 8.119 4.525 2.332 1.00 15.00 C ATOM 85 CD2 TRP A 303 6.556 2.979 1.943 1.00 15.00 C ATOM 86 NE1 TRP A 303 8.747 3.407 1.857 1.00 15.00 N ATOM 87 CE2 TRP A 303 7.804 2.446 1.611 1.00 15.00 C ATOM 88 CE3 TRP A 303 5.422 2.186 1.776 1.00 15.00 C ATOM 89 CZ2 TRP A 303 7.945 1.161 1.126 1.00 15.00 C ATOM 90 CZ3 TRP A 303 5.575 0.908 1.291 1.00 15.00 C ATOM 91 CH2 TRP A 303 6.826 0.405 0.971 1.00 15.00 C ATOM 0 H TRP A 303 6.593 7.599 2.946 1.00 15.00 H new ATOM 0 HA TRP A 303 5.478 5.903 0.857 1.00 15.00 H new ATOM 0 HB2 TRP A 303 6.074 5.728 3.803 1.00 15.00 H new ATOM 0 HB3 TRP A 303 4.833 4.677 3.150 1.00 15.00 H new ATOM 0 HD1 TRP A 303 8.613 5.447 2.602 1.00 15.00 H new ATOM 0 HE1 TRP A 303 9.751 3.306 1.710 1.00 15.00 H new ATOM 0 HE3 TRP A 303 4.442 2.568 2.023 1.00 15.00 H new ATOM 0 HZ2 TRP A 303 8.919 0.767 0.876 1.00 15.00 H new ATOM 0 HZ3 TRP A 303 4.703 0.285 1.157 1.00 15.00 H new ATOM 0 HH2 TRP A 303 6.913 -0.603 0.593 1.00 15.00 H new ATOM 102 N GLU A 304 3.012 6.000 1.415 1.00 15.00 N ATOM 103 CA GLU A 304 1.585 6.293 1.558 1.00 15.00 C ATOM 104 C GLU A 304 0.828 5.024 1.939 1.00 15.00 C ATOM 105 O GLU A 304 0.849 4.040 1.213 1.00 15.00 O ATOM 106 CB GLU A 304 1.052 6.903 0.257 1.00 15.00 C ATOM 107 CG GLU A 304 1.544 8.317 0.009 1.00 15.00 C ATOM 108 CD GLU A 304 0.719 9.373 0.719 1.00 15.00 C ATOM 109 OE1 GLU A 304 0.299 9.143 1.870 1.00 15.00 O1- ATOM 110 OE2 GLU A 304 0.490 10.447 0.118 1.00 15.00 O ATOM 0 H GLU A 304 3.228 5.224 0.789 1.00 15.00 H new ATOM 0 HA GLU A 304 1.435 7.019 2.357 1.00 15.00 H new ATOM 0 HB2 GLU A 304 1.348 6.271 -0.580 1.00 15.00 H new ATOM 0 HB3 GLU A 304 -0.038 6.905 0.285 1.00 15.00 H new ATOM 0 HG2 GLU A 304 2.581 8.396 0.336 1.00 15.00 H new ATOM 0 HG3 GLU A 304 1.531 8.516 -1.063 1.00 15.00 H new ATOM 117 N ILE A 305 0.162 5.045 3.084 1.00 15.00 N ATOM 118 CA ILE A 305 -0.443 3.834 3.629 1.00 15.00 C ATOM 119 C ILE A 305 -1.969 3.839 3.496 1.00 15.00 C ATOM 120 O ILE A 305 -2.640 4.760 3.961 1.00 15.00 O ATOM 121 CB ILE A 305 -0.062 3.632 5.117 1.00 15.00 C ATOM 122 CG1 ILE A 305 -0.766 2.392 5.685 1.00 15.00 C ATOM 123 CG2 ILE A 305 -0.404 4.869 5.938 1.00 15.00 C ATOM 124 CD1 ILE A 305 -0.437 2.115 7.136 1.00 15.00 C ATOM 0 H ILE A 305 0.026 5.881 3.653 1.00 15.00 H new ATOM 0 HA ILE A 305 -0.048 3.006 3.040 1.00 15.00 H new ATOM 0 HB ILE A 305 1.015 3.476 5.177 1.00 15.00 H new ATOM 0 HG12 ILE A 305 -1.844 2.519 5.584 1.00 15.00 H new ATOM 0 HG13 ILE A 305 -0.490 1.523 5.087 1.00 15.00 H new ATOM 0 HG21 ILE A 305 -0.127 4.703 6.979 1.00 15.00 H new ATOM 0 HG22 ILE A 305 0.145 5.727 5.549 1.00 15.00 H new ATOM 0 HG23 ILE A 305 -1.475 5.064 5.874 1.00 15.00 H new ATOM 0 HD11 ILE A 305 -0.971 1.224 7.467 1.00 15.00 H new ATOM 0 HD12 ILE A 305 0.636 1.955 7.242 1.00 15.00 H new ATOM 0 HD13 ILE A 305 -0.739 2.966 7.746 1.00 15.00 H new ATOM 136 N ARG A 306 -2.513 2.810 2.850 1.00 15.00 N ATOM 137 CA ARG A 306 -3.955 2.609 2.811 1.00 15.00 C ATOM 138 C ARG A 306 -4.275 1.120 2.907 1.00 15.00 C ATOM 139 O ARG A 306 -3.503 0.281 2.446 1.00 15.00 O ATOM 140 CB ARG A 306 -4.570 3.209 1.542 1.00 15.00 C ATOM 141 CG ARG A 306 -4.371 4.711 1.423 1.00 15.00 C ATOM 142 CD ARG A 306 -5.504 5.372 0.667 1.00 15.00 C ATOM 143 NE ARG A 306 -5.639 6.783 1.025 1.00 15.00 N ATOM 144 CZ ARG A 306 -6.716 7.517 0.764 1.00 15.00 C ATOM 145 NH1 ARG A 306 -7.713 7.011 0.050 1.00 15.00 N1+ ATOM 146 NH2 ARG A 306 -6.794 8.762 1.205 1.00 15.00 N ATOM 0 H ARG A 306 -1.975 2.104 2.347 1.00 15.00 H new ATOM 0 HA ARG A 306 -4.393 3.125 3.665 1.00 15.00 H new ATOM 0 HB2 ARG A 306 -4.132 2.722 0.671 1.00 15.00 H new ATOM 0 HB3 ARG A 306 -5.638 2.990 1.527 1.00 15.00 H new ATOM 0 HG2 ARG A 306 -4.296 5.147 2.419 1.00 15.00 H new ATOM 0 HG3 ARG A 306 -3.428 4.913 0.914 1.00 15.00 H new ATOM 0 HD2 ARG A 306 -5.327 5.283 -0.405 1.00 15.00 H new ATOM 0 HD3 ARG A 306 -6.437 4.851 0.880 1.00 15.00 H new ATOM 0 HE ARG A 306 -4.859 7.232 1.505 1.00 15.00 H new ATOM 0 HH11 ARG A 306 -7.655 6.055 -0.301 1.00 15.00 H new ATOM 0 HH12 ARG A 306 -8.538 7.578 -0.148 1.00 15.00 H new ATOM 0 HH21 ARG A 306 -6.027 9.160 1.746 1.00 15.00 H new ATOM 0 HH22 ARG A 306 -7.621 9.324 1.004 1.00 15.00 H new ATOM 160 N ASN A 307 -5.422 0.801 3.488 1.00 15.00 N ATOM 161 CA ASN A 307 -5.800 -0.587 3.741 1.00 15.00 C ATOM 162 C ASN A 307 -7.164 -0.881 3.103 1.00 15.00 C ATOM 163 O ASN A 307 -8.094 -0.088 3.251 1.00 15.00 O ATOM 164 CB ASN A 307 -5.864 -0.817 5.258 1.00 15.00 C ATOM 165 CG ASN A 307 -5.993 -2.278 5.659 1.00 15.00 C ATOM 166 OD1 ASN A 307 -6.539 -3.101 4.931 1.00 15.00 O ATOM 167 ND2 ASN A 307 -5.483 -2.608 6.834 1.00 15.00 N ATOM 0 H ASN A 307 -6.112 1.486 3.796 1.00 15.00 H new ATOM 0 HA ASN A 307 -5.061 -1.257 3.302 1.00 15.00 H new ATOM 0 HB2 ASN A 307 -4.965 -0.404 5.716 1.00 15.00 H new ATOM 0 HB3 ASN A 307 -6.711 -0.264 5.663 1.00 15.00 H new ATOM 0 HD21 ASN A 307 -5.537 -3.573 7.160 1.00 15.00 H new ATOM 0 HD22 ASN A 307 -5.036 -1.898 7.414 1.00 15.00 H new ATOM 174 N THR A 308 -7.295 -2.009 2.403 1.00 15.00 N ATOM 175 CA THR A 308 -8.573 -2.377 1.806 1.00 15.00 C ATOM 176 C THR A 308 -9.398 -3.214 2.784 1.00 15.00 C ATOM 177 O THR A 308 -8.858 -4.069 3.493 1.00 15.00 O ATOM 178 CB THR A 308 -8.400 -3.168 0.486 1.00 15.00 C ATOM 179 OG1 THR A 308 -7.491 -4.262 0.679 1.00 15.00 O ATOM 180 CG2 THR A 308 -7.900 -2.275 -0.646 1.00 15.00 C ATOM 0 H THR A 308 -6.540 -2.674 2.239 1.00 15.00 H new ATOM 0 HA THR A 308 -9.092 -1.446 1.579 1.00 15.00 H new ATOM 0 HB THR A 308 -9.380 -3.553 0.203 1.00 15.00 H new ATOM 0 HG1 THR A 308 -7.030 -4.157 1.537 1.00 15.00 H new ATOM 0 HG21 THR A 308 -7.791 -2.866 -1.555 1.00 15.00 H new ATOM 0 HG22 THR A 308 -8.616 -1.472 -0.819 1.00 15.00 H new ATOM 0 HG23 THR A 308 -6.935 -1.848 -0.373 1.00 15.00 H new ATOM 188 N ALA A 309 -10.710 -2.991 2.783 1.00 15.00 N ATOM 189 CA ALA A 309 -11.622 -3.663 3.708 1.00 15.00 C ATOM 190 C ALA A 309 -11.636 -5.169 3.476 1.00 15.00 C ATOM 191 O ALA A 309 -12.122 -5.934 4.310 1.00 15.00 O ATOM 192 CB ALA A 309 -13.028 -3.093 3.565 1.00 15.00 C ATOM 0 H ALA A 309 -11.170 -2.342 2.144 1.00 15.00 H new ATOM 0 HA ALA A 309 -11.266 -3.484 4.723 1.00 15.00 H new ATOM 0 HB1 ALA A 309 -13.699 -3.601 4.258 1.00 15.00 H new ATOM 0 HB2 ALA A 309 -13.013 -2.027 3.790 1.00 15.00 H new ATOM 0 HB3 ALA A 309 -13.380 -3.244 2.544 1.00 15.00 H new ATOM 198 N THR A 310 -11.102 -5.588 2.337 1.00 15.00 N ATOM 199 CA THR A 310 -10.971 -7.002 2.015 1.00 15.00 C ATOM 200 C THR A 310 -10.001 -7.706 2.971 1.00 15.00 C ATOM 201 O THR A 310 -9.965 -8.937 3.041 1.00 15.00 O ATOM 202 CB THR A 310 -10.498 -7.197 0.562 1.00 15.00 C ATOM 203 OG1 THR A 310 -9.291 -6.454 0.327 1.00 15.00 O ATOM 204 CG2 THR A 310 -11.572 -6.751 -0.420 1.00 15.00 C ATOM 0 H THR A 310 -10.749 -4.961 1.614 1.00 15.00 H new ATOM 0 HA THR A 310 -11.958 -7.450 2.129 1.00 15.00 H new ATOM 0 HB THR A 310 -10.302 -8.258 0.410 1.00 15.00 H new ATOM 0 HG1 THR A 310 -8.998 -6.034 1.162 1.00 15.00 H new ATOM 0 HG21 THR A 310 -11.216 -6.898 -1.440 1.00 15.00 H new ATOM 0 HG22 THR A 310 -12.476 -7.340 -0.263 1.00 15.00 H new ATOM 0 HG23 THR A 310 -11.794 -5.696 -0.262 1.00 15.00 H new ATOM 212 N GLY A 311 -9.216 -6.917 3.700 1.00 15.00 N ATOM 213 CA GLY A 311 -8.261 -7.475 4.638 1.00 15.00 C ATOM 214 C GLY A 311 -6.857 -7.561 4.067 1.00 15.00 C ATOM 215 O GLY A 311 -6.137 -8.526 4.323 1.00 15.00 O ATOM 0 H GLY A 311 -9.226 -5.898 3.656 1.00 15.00 H new ATOM 0 HA2 GLY A 311 -8.245 -6.863 5.540 1.00 15.00 H new ATOM 0 HA3 GLY A 311 -8.589 -8.471 4.934 1.00 15.00 H new ATOM 219 N ARG A 312 -6.465 -6.549 3.300 1.00 15.00 N ATOM 220 CA ARG A 312 -5.146 -6.513 2.674 1.00 15.00 C ATOM 221 C ARG A 312 -4.647 -5.073 2.645 1.00 15.00 C ATOM 222 O ARG A 312 -5.423 -4.160 2.346 1.00 15.00 O ATOM 223 CB ARG A 312 -5.202 -7.037 1.235 1.00 15.00 C ATOM 224 CG ARG A 312 -5.900 -8.368 1.044 1.00 15.00 C ATOM 225 CD ARG A 312 -6.143 -8.624 -0.432 1.00 15.00 C ATOM 226 NE ARG A 312 -7.223 -7.789 -0.958 1.00 15.00 N ATOM 227 CZ ARG A 312 -7.444 -7.562 -2.253 1.00 15.00 C ATOM 228 NH1 ARG A 312 -6.690 -8.146 -3.179 1.00 15.00 N1+ ATOM 229 NH2 ARG A 312 -8.438 -6.762 -2.616 1.00 15.00 N ATOM 0 H ARG A 312 -7.046 -5.736 3.095 1.00 15.00 H new ATOM 0 HA ARG A 312 -4.475 -7.147 3.254 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -5.704 -6.293 0.617 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -4.182 -7.126 0.861 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -5.293 -9.169 1.465 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -6.848 -8.371 1.582 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -5.228 -8.428 -0.990 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -6.390 -9.675 -0.583 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.852 -7.349 -0.286 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -5.935 -8.773 -2.901 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -6.866 -7.967 -4.168 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -9.027 -6.326 -1.906 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -8.614 -6.583 -3.605 1.00 15.00 H new ATOM 243 N VAL A 313 -3.367 -4.860 2.911 1.00 15.00 N ATOM 244 CA VAL A 313 -2.832 -3.509 2.958 1.00 15.00 C ATOM 245 C VAL A 313 -1.925 -3.235 1.753 1.00 15.00 C ATOM 246 O VAL A 313 -1.118 -4.068 1.365 1.00 15.00 O ATOM 247 CB VAL A 313 -2.059 -3.249 4.266 1.00 15.00 C ATOM 248 CG1 VAL A 313 -1.915 -1.755 4.508 1.00 15.00 C ATOM 249 CG2 VAL A 313 -2.746 -3.926 5.444 1.00 15.00 C ATOM 0 H VAL A 313 -2.686 -5.597 3.096 1.00 15.00 H new ATOM 0 HA VAL A 313 -3.682 -2.827 2.923 1.00 15.00 H new ATOM 0 HB VAL A 313 -1.062 -3.678 4.168 1.00 15.00 H new ATOM 0 HG11 VAL A 313 -1.367 -1.588 5.435 1.00 15.00 H new ATOM 0 HG12 VAL A 313 -1.371 -1.303 3.679 1.00 15.00 H new ATOM 0 HG13 VAL A 313 -2.903 -1.302 4.584 1.00 15.00 H new ATOM 0 HG21 VAL A 313 -2.183 -3.729 6.356 1.00 15.00 H new ATOM 0 HG22 VAL A 313 -3.757 -3.533 5.550 1.00 15.00 H new ATOM 0 HG23 VAL A 313 -2.790 -5.001 5.270 1.00 15.00 H new ATOM 259 N TYR A 314 -2.068 -2.050 1.187 1.00 15.00 N ATOM 260 CA TYR A 314 -1.398 -1.646 -0.023 1.00 15.00 C ATOM 261 C TYR A 314 -0.813 -0.252 0.195 1.00 15.00 C ATOM 262 O TYR A 314 -1.537 0.729 0.373 1.00 15.00 O ATOM 263 CB TYR A 314 -2.376 -1.656 -1.222 1.00 15.00 C ATOM 264 CG TYR A 314 -3.521 -0.657 -1.107 1.00 15.00 C ATOM 265 CD1 TYR A 314 -4.570 -0.868 -0.222 1.00 15.00 C ATOM 266 CD2 TYR A 314 -3.537 0.510 -1.872 1.00 15.00 C ATOM 267 CE1 TYR A 314 -5.595 0.049 -0.097 1.00 15.00 C ATOM 268 CE2 TYR A 314 -4.565 1.432 -1.748 1.00 15.00 C ATOM 269 CZ TYR A 314 -5.587 1.194 -0.855 1.00 15.00 C ATOM 270 OH TYR A 314 -6.610 2.103 -0.722 1.00 15.00 O ATOM 0 H TYR A 314 -2.673 -1.325 1.573 1.00 15.00 H new ATOM 0 HA TYR A 314 -0.597 -2.348 -0.256 1.00 15.00 H new ATOM 0 HB2 TYR A 314 -1.817 -1.446 -2.134 1.00 15.00 H new ATOM 0 HB3 TYR A 314 -2.793 -2.658 -1.327 1.00 15.00 H new ATOM 0 HD1 TYR A 314 -4.585 -1.765 0.379 1.00 15.00 H new ATOM 0 HD2 TYR A 314 -2.736 0.698 -2.572 1.00 15.00 H new ATOM 0 HE1 TYR A 314 -6.402 -0.134 0.596 1.00 15.00 H new ATOM 0 HE2 TYR A 314 -4.565 2.331 -2.347 1.00 15.00 H new ATOM 0 HH TYR A 314 -6.250 3.012 -0.787 1.00 15.00 H new ATOM 280 N PHE A 315 0.493 -0.178 0.262 1.00 15.00 N ATOM 281 CA PHE A 315 1.161 1.096 0.439 1.00 15.00 C ATOM 282 C PHE A 315 1.558 1.654 -0.908 1.00 15.00 C ATOM 283 O PHE A 315 2.371 1.069 -1.602 1.00 15.00 O ATOM 284 CB PHE A 315 2.415 0.945 1.293 1.00 15.00 C ATOM 285 CG PHE A 315 2.189 0.522 2.714 1.00 15.00 C ATOM 286 CD1 PHE A 315 1.532 -0.655 3.008 1.00 15.00 C ATOM 287 CD2 PHE A 315 2.666 1.298 3.759 1.00 15.00 C ATOM 288 CE1 PHE A 315 1.350 -1.051 4.313 1.00 15.00 C ATOM 289 CE2 PHE A 315 2.493 0.900 5.068 1.00 15.00 C ATOM 290 CZ PHE A 315 1.832 -0.278 5.344 1.00 15.00 C ATOM 0 H PHE A 315 1.118 -0.982 0.197 1.00 15.00 H new ATOM 0 HA PHE A 315 0.469 1.771 0.942 1.00 15.00 H new ATOM 0 HB2 PHE A 315 3.071 0.216 0.817 1.00 15.00 H new ATOM 0 HB3 PHE A 315 2.946 1.897 1.297 1.00 15.00 H new ATOM 0 HD1 PHE A 315 1.157 -1.272 2.205 1.00 15.00 H new ATOM 0 HD2 PHE A 315 3.179 2.224 3.546 1.00 15.00 H new ATOM 0 HE1 PHE A 315 0.827 -1.971 4.529 1.00 15.00 H new ATOM 0 HE2 PHE A 315 2.874 1.509 5.874 1.00 15.00 H new ATOM 0 HZ PHE A 315 1.693 -0.593 6.368 1.00 15.00 H new ATOM 300 N VAL A 316 1.021 2.788 -1.275 1.00 15.00 N ATOM 301 CA VAL A 316 1.385 3.374 -2.536 1.00 15.00 C ATOM 302 C VAL A 316 2.596 4.295 -2.333 1.00 15.00 C ATOM 303 O VAL A 316 2.539 5.255 -1.566 1.00 15.00 O ATOM 304 CB VAL A 316 0.207 4.141 -3.187 1.00 15.00 C ATOM 305 CG1 VAL A 316 -0.817 3.159 -3.737 1.00 15.00 C ATOM 306 CG2 VAL A 316 -0.465 5.086 -2.209 1.00 15.00 C ATOM 0 H VAL A 316 0.341 3.316 -0.728 1.00 15.00 H new ATOM 0 HA VAL A 316 1.648 2.571 -3.225 1.00 15.00 H new ATOM 0 HB VAL A 316 0.618 4.739 -4.000 1.00 15.00 H new ATOM 0 HG11 VAL A 316 -1.641 3.709 -4.192 1.00 15.00 H new ATOM 0 HG12 VAL A 316 -0.346 2.524 -4.487 1.00 15.00 H new ATOM 0 HG13 VAL A 316 -1.199 2.539 -2.926 1.00 15.00 H new ATOM 0 HG21 VAL A 316 -1.285 5.603 -2.708 1.00 15.00 H new ATOM 0 HG22 VAL A 316 -0.854 4.518 -1.364 1.00 15.00 H new ATOM 0 HG23 VAL A 316 0.261 5.817 -1.852 1.00 15.00 H new ATOM 316 N ASP A 317 3.720 3.970 -2.964 1.00 15.00 N ATOM 317 CA ASP A 317 4.915 4.769 -2.806 1.00 15.00 C ATOM 318 C ASP A 317 4.906 5.837 -3.875 1.00 15.00 C ATOM 319 O ASP A 317 4.832 5.515 -5.059 1.00 15.00 O ATOM 320 CB ASP A 317 6.183 3.934 -2.989 1.00 15.00 C ATOM 321 CG ASP A 317 6.029 2.492 -2.589 1.00 15.00 C ATOM 322 OD1 ASP A 317 5.628 1.680 -3.447 1.00 15.00 O1- ATOM 323 OD2 ASP A 317 6.370 2.155 -1.444 1.00 15.00 O ATOM 0 H ASP A 317 3.822 3.165 -3.583 1.00 15.00 H new ATOM 0 HA ASP A 317 4.918 5.190 -1.800 1.00 15.00 H new ATOM 0 HB2 ASP A 317 6.488 3.980 -4.034 1.00 15.00 H new ATOM 0 HB3 ASP A 317 6.987 4.379 -2.403 1.00 15.00 H new ATOM 328 N HIS A 318 4.991 7.095 -3.474 1.00 15.00 N ATOM 329 CA HIS A 318 4.969 8.193 -4.437 1.00 15.00 C ATOM 330 C HIS A 318 6.293 8.281 -5.194 1.00 15.00 C ATOM 331 O HIS A 318 6.390 8.956 -6.216 1.00 15.00 O ATOM 332 CB HIS A 318 4.651 9.529 -3.761 1.00 15.00 C ATOM 333 CG HIS A 318 3.223 9.682 -3.313 1.00 15.00 C ATOM 334 ND1 HIS A 318 2.187 8.870 -3.739 1.00 15.00 N ATOM 335 CD2 HIS A 318 2.662 10.579 -2.469 1.00 15.00 C ATOM 336 CE1 HIS A 318 1.062 9.265 -3.175 1.00 15.00 C ATOM 337 NE2 HIS A 318 1.317 10.301 -2.397 1.00 15.00 N ATOM 0 H HIS A 318 5.075 7.383 -2.499 1.00 15.00 H new ATOM 0 HA HIS A 318 4.173 7.982 -5.152 1.00 15.00 H new ATOM 0 HB2 HIS A 318 5.304 9.648 -2.896 1.00 15.00 H new ATOM 0 HB3 HIS A 318 4.889 10.337 -4.453 1.00 15.00 H new ATOM 0 HD1 HIS A 318 2.279 8.088 -4.388 1.00 15.00 H new ATOM 0 HD2 HIS A 318 3.178 11.371 -1.946 1.00 15.00 H new ATOM 0 HE1 HIS A 318 0.092 8.815 -3.325 1.00 15.00 H new ATOM 0 HE2 HIS A 318 0.632 10.809 -1.837 1.00 15.00 H new ATOM 346 N ASN A 319 7.306 7.603 -4.670 1.00 15.00 N ATOM 347 CA ASN A 319 8.630 7.589 -5.285 1.00 15.00 C ATOM 348 C ASN A 319 8.638 6.734 -6.551 1.00 15.00 C ATOM 349 O ASN A 319 8.618 7.261 -7.661 1.00 15.00 O ATOM 350 CB ASN A 319 9.672 7.069 -4.289 1.00 15.00 C ATOM 351 CG ASN A 319 9.951 8.047 -3.162 1.00 15.00 C ATOM 352 OD1 ASN A 319 9.100 8.862 -2.801 1.00 15.00 O ATOM 353 ND2 ASN A 319 11.139 7.961 -2.587 1.00 15.00 N ATOM 0 H ASN A 319 7.236 7.052 -3.815 1.00 15.00 H new ATOM 0 HA ASN A 319 8.885 8.611 -5.564 1.00 15.00 H new ATOM 0 HB2 ASN A 319 9.325 6.126 -3.867 1.00 15.00 H new ATOM 0 HB3 ASN A 319 10.601 6.859 -4.819 1.00 15.00 H new ATOM 0 HD21 ASN A 319 11.378 8.583 -1.815 1.00 15.00 H new ATOM 0 HD22 ASN A 319 11.816 7.272 -2.916 1.00 15.00 H new ATOM 360 N ASN A 320 8.633 5.413 -6.381 1.00 15.00 N ATOM 361 CA ASN A 320 8.654 4.496 -7.522 1.00 15.00 C ATOM 362 C ASN A 320 7.266 4.402 -8.148 1.00 15.00 C ATOM 363 O ASN A 320 7.105 3.928 -9.275 1.00 15.00 O ATOM 364 CB ASN A 320 9.138 3.105 -7.091 1.00 15.00 C ATOM 365 CG ASN A 320 9.467 2.196 -8.266 1.00 15.00 C ATOM 366 OD1 ASN A 320 10.594 2.197 -8.763 1.00 15.00 O ATOM 367 ND2 ASN A 320 8.503 1.403 -8.709 1.00 15.00 N ATOM 0 H ASN A 320 8.615 4.954 -5.470 1.00 15.00 H new ATOM 0 HA ASN A 320 9.350 4.886 -8.265 1.00 15.00 H new ATOM 0 HB2 ASN A 320 10.023 3.213 -6.464 1.00 15.00 H new ATOM 0 HB3 ASN A 320 8.370 2.633 -6.479 1.00 15.00 H new ATOM 0 HD21 ASN A 320 8.683 0.767 -9.486 1.00 15.00 H new ATOM 0 HD22 ASN A 320 7.581 1.429 -8.273 1.00 15.00 H new ATOM 374 N ARG A 321 6.271 4.866 -7.392 1.00 15.00 N ATOM 375 CA ARG A 321 4.881 4.901 -7.835 1.00 15.00 C ATOM 376 C ARG A 321 4.327 3.493 -7.993 1.00 15.00 C ATOM 377 O ARG A 321 3.945 3.063 -9.083 1.00 15.00 O ATOM 378 CB ARG A 321 4.751 5.730 -9.115 1.00 15.00 C ATOM 379 CG ARG A 321 5.252 7.150 -8.916 1.00 15.00 C ATOM 380 CD ARG A 321 5.344 7.922 -10.213 1.00 15.00 C ATOM 381 NE ARG A 321 5.948 9.236 -10.001 1.00 15.00 N ATOM 382 CZ ARG A 321 5.889 10.237 -10.875 1.00 15.00 C ATOM 383 NH1 ARG A 321 5.289 10.067 -12.046 1.00 15.00 N1+ ATOM 384 NH2 ARG A 321 6.448 11.402 -10.583 1.00 15.00 N ATOM 0 H ARG A 321 6.410 5.230 -6.449 1.00 15.00 H new ATOM 0 HA ARG A 321 4.277 5.390 -7.071 1.00 15.00 H new ATOM 0 HB2 ARG A 321 5.316 5.254 -9.916 1.00 15.00 H new ATOM 0 HB3 ARG A 321 3.708 5.753 -9.430 1.00 15.00 H new ATOM 0 HG2 ARG A 321 4.584 7.674 -8.232 1.00 15.00 H new ATOM 0 HG3 ARG A 321 6.234 7.122 -8.444 1.00 15.00 H new ATOM 0 HD2 ARG A 321 5.936 7.358 -10.934 1.00 15.00 H new ATOM 0 HD3 ARG A 321 4.348 8.041 -10.641 1.00 15.00 H new ATOM 0 HE ARG A 321 6.447 9.396 -9.126 1.00 15.00 H new ATOM 0 HH11 ARG A 321 4.871 9.166 -12.279 1.00 15.00 H new ATOM 0 HH12 ARG A 321 5.246 10.837 -12.713 1.00 15.00 H new ATOM 0 HH21 ARG A 321 6.923 11.530 -9.689 1.00 15.00 H new ATOM 0 HH22 ARG A 321 6.404 12.171 -11.252 1.00 15.00 H new ATOM 398 N THR A 322 4.317 2.781 -6.876 1.00 15.00 N ATOM 399 CA THR A 322 3.866 1.398 -6.828 1.00 15.00 C ATOM 400 C THR A 322 2.861 1.218 -5.697 1.00 15.00 C ATOM 401 O THR A 322 2.910 1.949 -4.716 1.00 15.00 O ATOM 402 CB THR A 322 5.049 0.440 -6.590 1.00 15.00 C ATOM 403 OG1 THR A 322 6.236 0.959 -7.202 1.00 15.00 O ATOM 404 CG2 THR A 322 4.750 -0.941 -7.153 1.00 15.00 C ATOM 0 H THR A 322 4.622 3.147 -5.974 1.00 15.00 H new ATOM 0 HA THR A 322 3.402 1.165 -7.786 1.00 15.00 H new ATOM 0 HB THR A 322 5.203 0.354 -5.514 1.00 15.00 H new ATOM 0 HG1 THR A 322 7.022 0.653 -6.703 1.00 15.00 H new ATOM 0 HG21 THR A 322 5.600 -1.599 -6.973 1.00 15.00 H new ATOM 0 HG22 THR A 322 3.865 -1.349 -6.665 1.00 15.00 H new ATOM 0 HG23 THR A 322 4.571 -0.866 -8.225 1.00 15.00 H new ATOM 412 N THR A 323 1.925 0.290 -5.839 1.00 15.00 N ATOM 413 CA THR A 323 1.069 -0.060 -4.718 1.00 15.00 C ATOM 414 C THR A 323 1.592 -1.345 -4.064 1.00 15.00 C ATOM 415 O THR A 323 1.963 -2.300 -4.752 1.00 15.00 O ATOM 416 CB THR A 323 -0.418 -0.203 -5.125 1.00 15.00 C ATOM 417 OG1 THR A 323 -1.236 -0.336 -3.958 1.00 15.00 O ATOM 418 CG2 THR A 323 -0.653 -1.396 -6.032 1.00 15.00 C ATOM 0 H THR A 323 1.742 -0.224 -6.701 1.00 15.00 H new ATOM 0 HA THR A 323 1.105 0.757 -3.997 1.00 15.00 H new ATOM 0 HB THR A 323 -0.686 0.699 -5.675 1.00 15.00 H new ATOM 0 HG1 THR A 323 -2.181 -0.290 -4.214 1.00 15.00 H new ATOM 0 HG21 THR A 323 -1.710 -1.454 -6.290 1.00 15.00 H new ATOM 0 HG22 THR A 323 -0.063 -1.283 -6.942 1.00 15.00 H new ATOM 0 HG23 THR A 323 -0.355 -2.309 -5.517 1.00 15.00 H new ATOM 426 N GLN A 324 1.643 -1.364 -2.739 1.00 15.00 N ATOM 427 CA GLN A 324 2.346 -2.411 -2.021 1.00 15.00 C ATOM 428 C GLN A 324 1.420 -3.247 -1.148 1.00 15.00 C ATOM 429 O GLN A 324 1.171 -2.895 -0.002 1.00 15.00 O ATOM 430 CB GLN A 324 3.446 -1.809 -1.129 1.00 15.00 C ATOM 431 CG GLN A 324 4.549 -1.079 -1.882 1.00 15.00 C ATOM 432 CD GLN A 324 5.448 -2.017 -2.663 1.00 15.00 C ATOM 433 OE1 GLN A 324 5.684 -3.195 -2.109 1.00 15.00 O flip ATOM 434 NE2 GLN A 324 5.964 -1.674 -3.727 1.00 15.00 N flip ATOM 0 H GLN A 324 1.204 -0.664 -2.141 1.00 15.00 H new ATOM 0 HA GLN A 324 2.782 -3.061 -2.780 1.00 15.00 H new ATOM 0 HB2 GLN A 324 2.985 -1.116 -0.426 1.00 15.00 H new ATOM 0 HB3 GLN A 324 3.895 -2.609 -0.540 1.00 15.00 H new ATOM 0 HG2 GLN A 324 4.100 -0.359 -2.567 1.00 15.00 H new ATOM 0 HG3 GLN A 324 5.152 -0.511 -1.173 1.00 15.00 H new ATOM 0 HE21 GLN A 324 5.757 -0.757 -4.122 1.00 15.00 H new ATOM 0 HE22 GLN A 324 6.599 -2.307 -4.213 1.00 15.00 H new ATOM 443 N PHE A 325 0.898 -4.340 -1.705 1.00 15.00 N ATOM 444 CA PHE A 325 0.334 -5.428 -0.892 1.00 15.00 C ATOM 445 C PHE A 325 1.468 -6.135 -0.200 1.00 15.00 C ATOM 446 O PHE A 325 1.295 -7.041 0.611 1.00 15.00 O ATOM 447 CB PHE A 325 -0.479 -6.418 -1.713 1.00 15.00 C ATOM 448 CG PHE A 325 -1.932 -6.080 -1.722 1.00 15.00 C ATOM 449 CD1 PHE A 325 -2.513 -5.466 -0.622 1.00 15.00 C ATOM 450 CD2 PHE A 325 -2.713 -6.362 -2.821 1.00 15.00 C ATOM 451 CE1 PHE A 325 -3.853 -5.137 -0.640 1.00 15.00 C ATOM 452 CE2 PHE A 325 -4.054 -6.041 -2.836 1.00 15.00 C ATOM 453 CZ PHE A 325 -4.623 -5.425 -1.747 1.00 15.00 C ATOM 0 H PHE A 325 0.852 -4.499 -2.711 1.00 15.00 H new ATOM 0 HA PHE A 325 -0.355 -4.993 -0.169 1.00 15.00 H new ATOM 0 HB2 PHE A 325 -0.104 -6.433 -2.737 1.00 15.00 H new ATOM 0 HB3 PHE A 325 -0.343 -7.421 -1.309 1.00 15.00 H new ATOM 0 HD1 PHE A 325 -1.915 -5.245 0.250 1.00 15.00 H new ATOM 0 HD2 PHE A 325 -2.270 -6.840 -3.682 1.00 15.00 H new ATOM 0 HE1 PHE A 325 -4.300 -4.652 0.215 1.00 15.00 H new ATOM 0 HE2 PHE A 325 -4.656 -6.273 -3.702 1.00 15.00 H new ATOM 0 HZ PHE A 325 -5.672 -5.167 -1.758 1.00 15.00 H new ATOM 463 N THR A 326 2.634 -5.749 -0.631 1.00 15.00 N ATOM 464 CA THR A 326 3.864 -6.228 -0.058 1.00 15.00 C ATOM 465 C THR A 326 4.287 -5.169 0.951 1.00 15.00 C ATOM 466 O THR A 326 4.977 -4.203 0.615 1.00 15.00 O ATOM 467 CB THR A 326 4.945 -6.452 -1.133 1.00 15.00 C ATOM 468 OG1 THR A 326 4.451 -7.382 -2.108 1.00 15.00 O ATOM 469 CG2 THR A 326 6.231 -6.994 -0.518 1.00 15.00 C ATOM 0 H THR A 326 2.762 -5.087 -1.397 1.00 15.00 H new ATOM 0 HA THR A 326 3.727 -7.199 0.418 1.00 15.00 H new ATOM 0 HB THR A 326 5.171 -5.495 -1.603 1.00 15.00 H new ATOM 0 HG1 THR A 326 5.133 -7.528 -2.796 1.00 15.00 H new ATOM 0 HG21 THR A 326 6.975 -7.142 -1.301 1.00 15.00 H new ATOM 0 HG22 THR A 326 6.612 -6.283 0.215 1.00 15.00 H new ATOM 0 HG23 THR A 326 6.027 -7.946 -0.027 1.00 15.00 H new ATOM 477 N ASP A 327 3.819 -5.343 2.173 1.00 15.00 N ATOM 478 CA ASP A 327 3.693 -4.264 3.116 1.00 15.00 C ATOM 479 C ASP A 327 4.478 -4.473 4.358 1.00 15.00 C ATOM 480 O ASP A 327 4.733 -5.593 4.794 1.00 15.00 O ATOM 481 CB ASP A 327 2.252 -4.004 3.505 1.00 15.00 C ATOM 482 CG ASP A 327 1.409 -5.258 3.677 1.00 15.00 C ATOM 483 OD1 ASP A 327 1.989 -6.340 3.898 1.00 15.00 O ATOM 484 OD2 ASP A 327 0.172 -5.152 3.646 1.00 15.00 O1- ATOM 0 H ASP A 327 3.515 -6.247 2.535 1.00 15.00 H new ATOM 0 HA ASP A 327 4.095 -3.399 2.589 1.00 15.00 H new ATOM 0 HB2 ASP A 327 2.237 -3.441 4.438 1.00 15.00 H new ATOM 0 HB3 ASP A 327 1.792 -3.374 2.744 1.00 15.00 H new ATOM 489 N PRO A 328 4.874 -3.357 4.940 1.00 15.00 N ATOM 490 CA PRO A 328 5.481 -3.336 6.251 1.00 15.00 C ATOM 491 C PRO A 328 4.467 -3.888 7.266 1.00 15.00 C ATOM 492 O PRO A 328 4.803 -4.206 8.405 1.00 15.00 O ATOM 493 CB PRO A 328 5.810 -1.847 6.468 1.00 15.00 C ATOM 494 CG PRO A 328 5.685 -1.222 5.105 1.00 15.00 C ATOM 495 CD PRO A 328 4.644 -2.008 4.413 1.00 15.00 C ATOM 0 HA PRO A 328 6.376 -3.949 6.361 1.00 15.00 H new ATOM 0 HB2 PRO A 328 5.121 -1.389 7.178 1.00 15.00 H new ATOM 0 HB3 PRO A 328 6.815 -1.719 6.871 1.00 15.00 H new ATOM 0 HG2 PRO A 328 5.402 -0.172 5.178 1.00 15.00 H new ATOM 0 HG3 PRO A 328 6.631 -1.261 4.566 1.00 15.00 H new ATOM 0 HD2 PRO A 328 3.641 -1.647 4.642 1.00 15.00 H new ATOM 0 HD3 PRO A 328 4.757 -1.969 3.330 1.00 15.00 H new ATOM 503 N ARG A 329 3.202 -3.966 6.815 1.00 15.00 N ATOM 504 CA ARG A 329 2.129 -4.630 7.550 1.00 15.00 C ATOM 505 C ARG A 329 2.397 -6.127 7.678 1.00 15.00 C ATOM 506 O ARG A 329 2.077 -6.742 8.696 1.00 15.00 O ATOM 507 CB ARG A 329 0.757 -4.406 6.871 1.00 15.00 C ATOM 508 CG ARG A 329 0.228 -2.991 7.033 1.00 15.00 C ATOM 509 CD ARG A 329 0.192 -2.567 8.494 1.00 15.00 C ATOM 510 NE ARG A 329 -0.433 -3.572 9.355 1.00 15.00 N ATOM 511 CZ ARG A 329 -0.826 -3.342 10.607 1.00 15.00 C ATOM 512 NH1 ARG A 329 -0.769 -2.115 11.111 1.00 15.00 N1+ ATOM 513 NH2 ARG A 329 -1.298 -4.339 11.345 1.00 15.00 N ATOM 0 H ARG A 329 2.902 -3.566 5.926 1.00 15.00 H new ATOM 0 HA ARG A 329 2.102 -4.188 8.546 1.00 15.00 H new ATOM 0 HB2 ARG A 329 0.844 -4.634 5.809 1.00 15.00 H new ATOM 0 HB3 ARG A 329 0.034 -5.106 7.289 1.00 15.00 H new ATOM 0 HG2 ARG A 329 0.856 -2.301 6.469 1.00 15.00 H new ATOM 0 HG3 ARG A 329 -0.775 -2.927 6.611 1.00 15.00 H new ATOM 0 HD2 ARG A 329 1.209 -2.379 8.839 1.00 15.00 H new ATOM 0 HD3 ARG A 329 -0.354 -1.628 8.583 1.00 15.00 H new ATOM 0 HE ARG A 329 -0.577 -4.507 8.973 1.00 15.00 H new ATOM 0 HH11 ARG A 329 -0.423 -1.344 10.539 1.00 15.00 H new ATOM 0 HH12 ARG A 329 -1.071 -1.943 12.070 1.00 15.00 H new ATOM 0 HH21 ARG A 329 -1.359 -5.279 10.953 1.00 15.00 H new ATOM 0 HH22 ARG A 329 -1.599 -4.165 12.304 1.00 15.00 H new ATOM 645 N PRO B 207 -4.148 -9.062 -6.913 1.00 15.00 N ATOM 646 CA PRO B 207 -3.972 -7.789 -7.614 1.00 15.00 C ATOM 647 C PRO B 207 -4.433 -6.591 -6.779 1.00 15.00 C ATOM 648 O PRO B 207 -5.598 -6.514 -6.382 1.00 15.00 O ATOM 649 CB PRO B 207 -4.842 -7.934 -8.876 1.00 15.00 C ATOM 650 CG PRO B 207 -5.535 -9.261 -8.777 1.00 15.00 C ATOM 651 CD PRO B 207 -4.818 -10.066 -7.727 1.00 15.00 C ATOM 0 HA PRO B 207 -2.922 -7.596 -7.832 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -5.568 -7.123 -8.940 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -4.229 -7.885 -9.776 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -6.583 -9.128 -8.509 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -5.515 -9.777 -9.737 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -5.514 -10.661 -7.135 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -4.105 -10.760 -8.173 1.00 15.00 H new ATOM 659 N PRO B 208 -3.517 -5.647 -6.482 1.00 15.00 N ATOM 660 CA PRO B 208 -3.817 -4.485 -5.652 1.00 15.00 C ATOM 661 C PRO B 208 -4.435 -3.324 -6.428 1.00 15.00 C ATOM 662 O PRO B 208 -4.333 -3.254 -7.653 1.00 15.00 O ATOM 663 CB PRO B 208 -2.446 -4.073 -5.091 1.00 15.00 C ATOM 664 CG PRO B 208 -1.426 -4.945 -5.756 1.00 15.00 C ATOM 665 CD PRO B 208 -2.111 -5.646 -6.896 1.00 15.00 C ATOM 0 HA PRO B 208 -4.557 -4.733 -4.891 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -2.246 -3.021 -5.293 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -2.417 -4.201 -4.009 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -0.589 -4.349 -6.119 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -1.019 -5.668 -5.049 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -1.968 -5.119 -7.839 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -1.730 -6.658 -7.036 1.00 15.00 H new ATOM 673 N PRO B 209 -5.090 -2.406 -5.695 1.00 15.00 N ATOM 674 CA PRO B 209 -5.657 -1.177 -6.255 1.00 15.00 C ATOM 675 C PRO B 209 -4.653 -0.424 -7.135 1.00 15.00 C ATOM 676 O PRO B 209 -3.543 -0.122 -6.691 1.00 15.00 O ATOM 677 CB PRO B 209 -6.006 -0.325 -5.024 1.00 15.00 C ATOM 678 CG PRO B 209 -5.845 -1.190 -3.818 1.00 15.00 C ATOM 679 CD PRO B 209 -5.339 -2.534 -4.254 1.00 15.00 C ATOM 0 HA PRO B 209 -6.513 -1.394 -6.894 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -5.352 0.545 -4.962 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.027 0.049 -5.094 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.148 -0.733 -3.116 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.797 -1.295 -3.298 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.428 -2.803 -3.720 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.071 -3.315 -4.049 1.00 15.00 H new ATOM 687 N PRO B 210 -5.039 -0.116 -8.391 1.00 15.00 N ATOM 688 CA PRO B 210 -4.183 0.615 -9.345 1.00 15.00 C ATOM 689 C PRO B 210 -3.628 1.900 -8.741 1.00 15.00 C ATOM 690 O PRO B 210 -4.324 2.579 -7.982 1.00 15.00 O ATOM 691 CB PRO B 210 -5.139 0.937 -10.494 1.00 15.00 C ATOM 692 CG PRO B 210 -6.176 -0.129 -10.434 1.00 15.00 C ATOM 693 CD PRO B 210 -6.347 -0.458 -8.977 1.00 15.00 C ATOM 0 HA PRO B 210 -3.310 0.036 -9.647 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -5.581 1.926 -10.376 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -4.621 0.932 -11.453 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -7.114 0.214 -10.869 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -5.865 -1.008 -10.999 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -7.153 0.122 -8.527 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -6.590 -1.510 -8.829 1.00 15.00 H new ATOM 701 N TYR B 211 -2.391 2.247 -9.098 1.00 15.00 N ATOM 702 CA TYR B 211 -1.700 3.350 -8.445 1.00 15.00 C ATOM 703 C TYR B 211 -2.377 4.700 -8.687 1.00 15.00 C ATOM 704 O TYR B 211 -2.148 5.377 -9.693 1.00 15.00 O ATOM 705 CB TYR B 211 -0.222 3.433 -8.841 1.00 15.00 C ATOM 706 CG TYR B 211 0.523 4.486 -8.046 1.00 15.00 C ATOM 707 CD1 TYR B 211 0.799 4.294 -6.698 1.00 15.00 C ATOM 708 CD2 TYR B 211 0.926 5.681 -8.630 1.00 15.00 C ATOM 709 CE1 TYR B 211 1.451 5.261 -5.961 1.00 15.00 C ATOM 710 CE2 TYR B 211 1.583 6.645 -7.889 1.00 15.00 C ATOM 711 CZ TYR B 211 1.836 6.431 -6.566 1.00 15.00 C ATOM 712 OH TYR B 211 2.481 7.404 -5.854 1.00 15.00 O ATOM 0 H TYR B 211 -1.854 1.782 -9.830 1.00 15.00 H new ATOM 0 HA TYR B 211 -1.758 3.129 -7.379 1.00 15.00 H new ATOM 0 HB2 TYR B 211 0.249 2.462 -8.687 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -0.144 3.660 -9.904 1.00 15.00 H new ATOM 0 HD1 TYR B 211 0.499 3.374 -6.220 1.00 15.00 H new ATOM 0 HD2 TYR B 211 0.723 5.859 -9.676 1.00 15.00 H new ATOM 0 HE1 TYR B 211 1.657 5.098 -4.913 1.00 15.00 H new ATOM 0 HE2 TYR B 211 1.896 7.567 -8.357 1.00 15.00 H new ATOM 0 HH TYR B 211 2.665 8.169 -6.438 1.00 15.00 H new ATOM 722 N SER B 212 -3.259 5.029 -7.771 1.00 15.00 N ATOM 723 CA SER B 212 -3.777 6.365 -7.598 1.00 15.00 C ATOM 724 C SER B 212 -3.154 6.892 -6.320 1.00 15.00 C ATOM 725 O SER B 212 -2.848 6.089 -5.437 1.00 15.00 O ATOM 726 CB SER B 212 -5.302 6.334 -7.489 1.00 15.00 C ATOM 727 OG SER B 212 -5.875 5.689 -8.617 1.00 15.00 O ATOM 0 H SER B 212 -3.645 4.356 -7.109 1.00 15.00 H new ATOM 0 HA SER B 212 -3.534 7.004 -8.447 1.00 15.00 H new ATOM 0 HB2 SER B 212 -5.595 5.812 -6.578 1.00 15.00 H new ATOM 0 HB3 SER B 212 -5.686 7.351 -7.412 1.00 15.00 H new ATOM 0 HG SER B 212 -6.851 5.678 -8.527 1.00 15.00 H new ATOM 733 N ARG B 213 -2.948 8.200 -6.195 1.00 15.00 N ATOM 734 CA ARG B 213 -2.232 8.709 -5.030 1.00 15.00 C ATOM 735 C ARG B 213 -2.987 8.305 -3.776 1.00 15.00 C ATOM 736 O ARG B 213 -2.414 7.740 -2.846 1.00 15.00 O ATOM 737 CB ARG B 213 -2.122 10.242 -5.028 1.00 15.00 C ATOM 738 CG ARG B 213 -1.630 10.871 -6.305 1.00 15.00 C ATOM 739 CD ARG B 213 -1.535 12.385 -6.185 1.00 15.00 C ATOM 740 NE ARG B 213 -1.089 13.007 -7.433 1.00 15.00 N ATOM 741 CZ ARG B 213 -1.282 14.290 -7.742 1.00 15.00 C ATOM 742 NH1 ARG B 213 -1.895 15.105 -6.892 1.00 15.00 N1+ ATOM 743 NH2 ARG B 213 -0.848 14.761 -8.903 1.00 15.00 N ATOM 0 H ARG B 213 -3.255 8.907 -6.863 1.00 15.00 H new ATOM 0 HA ARG B 213 -1.227 8.289 -5.061 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -3.103 10.656 -4.797 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -1.453 10.537 -4.220 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -0.651 10.464 -6.558 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -2.304 10.612 -7.122 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -2.509 12.788 -5.907 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -0.842 12.642 -5.384 1.00 15.00 H new ATOM 0 HE ARG B 213 -0.599 12.422 -8.110 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -2.223 14.752 -5.993 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -2.038 16.085 -7.138 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -0.368 14.143 -9.557 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -0.994 15.742 -9.142 1.00 15.00 H new ATOM 757 N TYR B 214 -4.265 8.644 -3.743 1.00 15.00 N ATOM 758 CA TYR B 214 -5.124 8.281 -2.631 1.00 15.00 C ATOM 759 C TYR B 214 -6.289 7.431 -3.122 1.00 15.00 C ATOM 760 O TYR B 214 -7.352 7.943 -3.477 1.00 15.00 O ATOM 761 CB TYR B 214 -5.586 9.549 -1.896 1.00 15.00 C ATOM 762 CG TYR B 214 -4.435 10.507 -1.651 1.00 15.00 C ATOM 763 CD1 TYR B 214 -3.907 11.252 -2.697 1.00 15.00 C ATOM 764 CD2 TYR B 214 -3.842 10.624 -0.403 1.00 15.00 C ATOM 765 CE1 TYR B 214 -2.824 12.081 -2.517 1.00 15.00 C ATOM 766 CE2 TYR B 214 -2.761 11.463 -0.206 1.00 15.00 C ATOM 767 CZ TYR B 214 -2.253 12.187 -1.265 1.00 15.00 C ATOM 768 OH TYR B 214 -1.167 13.010 -1.069 1.00 15.00 O ATOM 0 H TYR B 214 -4.732 9.174 -4.479 1.00 15.00 H new ATOM 0 HA TYR B 214 -4.569 7.674 -1.915 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -6.357 10.049 -2.482 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.039 9.273 -0.944 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -4.358 11.179 -3.676 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -4.230 10.052 0.427 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -2.424 12.644 -3.348 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -2.316 11.551 0.774 1.00 15.00 H new ATOM 0 HH TYR B 214 -0.409 12.480 -0.745 1.00 15.00 H new ATOM 778 N PRO B 215 -6.059 6.125 -3.210 1.00 15.00 N ATOM 779 CA PRO B 215 -7.059 5.164 -3.659 1.00 15.00 C ATOM 780 C PRO B 215 -7.968 4.722 -2.516 1.00 15.00 C ATOM 781 O PRO B 215 -7.537 4.642 -1.368 1.00 15.00 O ATOM 782 CB PRO B 215 -6.200 4.003 -4.157 1.00 15.00 C ATOM 783 CG PRO B 215 -4.946 4.063 -3.343 1.00 15.00 C ATOM 784 CD PRO B 215 -4.778 5.479 -2.881 1.00 15.00 C ATOM 0 HA PRO B 215 -7.733 5.567 -4.414 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.711 3.050 -4.023 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -5.984 4.102 -5.221 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -5.009 3.386 -2.491 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.088 3.749 -3.937 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.572 5.526 -1.812 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -3.945 5.966 -3.388 1.00 15.00 H new