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 : no HE2:sc= -0.303 K(o=-1.1,f=-11!) USER MOD Set 1.2: B 211 TYR OH : rot -151:sc= -0.788! USER MOD Set 2.1: A 320 ASN :FLIP amide:sc= 0.484 F(o=-0.025,f=1) USER MOD Set 2.2: A 322 THR OG1 : rot 180:sc= 0.539 USER MOD Single : A 307 ASN : amide:sc= -0.727 K(o=-0.73,f=-4.8!) USER MOD Single : A 308 THR OG1 : rot -86:sc= 1.46 USER MOD Single : A 310 THR OG1 : rot 180:sc= 0.0599 USER MOD Single : A 314 TYR OH : rot 30:sc= -0.125 USER MOD Single : A 319 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 323 THR OG1 : rot 138:sc= -1.34 USER MOD Single : A 324 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot -160:sc= -0.192 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 299 5.590 5.976 10.230 1.00 15.00 N ATOM 25 CA LEU A 299 5.340 5.772 8.813 1.00 15.00 C ATOM 26 C LEU A 299 6.323 6.609 7.999 1.00 15.00 C ATOM 27 O LEU A 299 6.482 7.802 8.268 1.00 15.00 O ATOM 28 CB LEU A 299 3.905 6.185 8.476 1.00 15.00 C ATOM 29 CG LEU A 299 3.388 5.699 7.122 1.00 15.00 C ATOM 30 CD1 LEU A 299 3.075 4.209 7.177 1.00 15.00 C ATOM 31 CD2 LEU A 299 2.166 6.499 6.701 1.00 15.00 C ATOM 0 HA LEU A 299 5.473 4.718 8.569 1.00 15.00 H new ATOM 0 HB2 LEU A 299 3.243 5.809 9.256 1.00 15.00 H new ATOM 0 HB3 LEU A 299 3.842 7.273 8.502 1.00 15.00 H new ATOM 0 HG LEU A 299 4.166 5.854 6.374 1.00 15.00 H new ATOM 0 HD11 LEU A 299 2.708 3.878 6.205 1.00 15.00 H new ATOM 0 HD12 LEU A 299 3.980 3.656 7.431 1.00 15.00 H new ATOM 0 HD13 LEU A 299 2.313 4.025 7.934 1.00 15.00 H new ATOM 0 HD21 LEU A 299 1.811 6.140 5.735 1.00 15.00 H new ATOM 0 HD22 LEU A 299 1.378 6.378 7.445 1.00 15.00 H new ATOM 0 HD23 LEU A 299 2.431 7.553 6.621 1.00 15.00 H new ATOM 43 N PRO A 300 6.997 6.021 7.000 1.00 15.00 N ATOM 44 CA PRO A 300 7.978 6.750 6.183 1.00 15.00 C ATOM 45 C PRO A 300 7.306 7.796 5.289 1.00 15.00 C ATOM 46 O PRO A 300 6.255 7.535 4.709 1.00 15.00 O ATOM 47 CB PRO A 300 8.633 5.651 5.334 1.00 15.00 C ATOM 48 CG PRO A 300 8.210 4.360 5.957 1.00 15.00 C ATOM 49 CD PRO A 300 6.860 4.625 6.553 1.00 15.00 C ATOM 0 HA PRO A 300 8.691 7.305 6.793 1.00 15.00 H new ATOM 0 HB2 PRO A 300 8.307 5.711 4.295 1.00 15.00 H new ATOM 0 HB3 PRO A 300 9.719 5.750 5.334 1.00 15.00 H new ATOM 0 HG2 PRO A 300 8.161 3.563 5.214 1.00 15.00 H new ATOM 0 HG3 PRO A 300 8.920 4.042 6.720 1.00 15.00 H new ATOM 0 HD2 PRO A 300 6.060 4.506 5.822 1.00 15.00 H new ATOM 0 HD3 PRO A 300 6.639 3.951 7.380 1.00 15.00 H new ATOM 57 N PRO A 301 7.916 8.988 5.153 1.00 15.00 N ATOM 58 CA PRO A 301 7.320 10.118 4.415 1.00 15.00 C ATOM 59 C PRO A 301 7.078 9.835 2.929 1.00 15.00 C ATOM 60 O PRO A 301 6.125 10.353 2.336 1.00 15.00 O ATOM 61 CB PRO A 301 8.348 11.244 4.577 1.00 15.00 C ATOM 62 CG PRO A 301 9.195 10.840 5.738 1.00 15.00 C ATOM 63 CD PRO A 301 9.229 9.339 5.719 1.00 15.00 C ATOM 0 HA PRO A 301 6.331 10.351 4.808 1.00 15.00 H new ATOM 0 HB2 PRO A 301 8.948 11.362 3.675 1.00 15.00 H new ATOM 0 HB3 PRO A 301 7.858 12.200 4.761 1.00 15.00 H new ATOM 0 HG2 PRO A 301 10.199 11.255 5.652 1.00 15.00 H new ATOM 0 HG3 PRO A 301 8.777 11.210 6.674 1.00 15.00 H new ATOM 0 HD2 PRO A 301 10.047 8.961 5.106 1.00 15.00 H new ATOM 0 HD3 PRO A 301 9.362 8.925 6.719 1.00 15.00 H new ATOM 71 N GLY A 302 7.951 9.038 2.324 1.00 15.00 N ATOM 72 CA GLY A 302 7.800 8.693 0.919 1.00 15.00 C ATOM 73 C GLY A 302 6.790 7.585 0.725 1.00 15.00 C ATOM 74 O GLY A 302 6.331 7.317 -0.392 1.00 15.00 O ATOM 0 H GLY A 302 8.763 8.623 2.781 1.00 15.00 H new ATOM 0 HA2 GLY A 302 7.487 9.574 0.359 1.00 15.00 H new ATOM 0 HA3 GLY A 302 8.763 8.383 0.514 1.00 15.00 H new ATOM 78 N TRP A 303 6.469 6.934 1.828 1.00 15.00 N ATOM 79 CA TRP A 303 5.537 5.826 1.849 1.00 15.00 C ATOM 80 C TRP A 303 4.139 6.302 2.173 1.00 15.00 C ATOM 81 O TRP A 303 3.969 7.271 2.913 1.00 15.00 O ATOM 82 CB TRP A 303 5.956 4.824 2.903 1.00 15.00 C ATOM 83 CG TRP A 303 6.940 3.830 2.414 1.00 15.00 C ATOM 84 CD1 TRP A 303 8.297 3.950 2.384 1.00 15.00 C ATOM 85 CD2 TRP A 303 6.632 2.552 1.878 1.00 15.00 C ATOM 86 NE1 TRP A 303 8.850 2.804 1.886 1.00 15.00 N ATOM 87 CE2 TRP A 303 7.844 1.936 1.567 1.00 15.00 C ATOM 88 CE3 TRP A 303 5.448 1.859 1.637 1.00 15.00 C ATOM 89 CZ2 TRP A 303 7.903 0.667 1.035 1.00 15.00 C ATOM 90 CZ3 TRP A 303 5.518 0.596 1.106 1.00 15.00 C ATOM 91 CH2 TRP A 303 6.738 0.009 0.811 1.00 15.00 C ATOM 0 H TRP A 303 6.854 7.164 2.744 1.00 15.00 H new ATOM 0 HA TRP A 303 5.542 5.365 0.861 1.00 15.00 H new ATOM 0 HB2 TRP A 303 6.382 5.358 3.752 1.00 15.00 H new ATOM 0 HB3 TRP A 303 5.072 4.300 3.267 1.00 15.00 H new ATOM 0 HD1 TRP A 303 8.852 4.819 2.705 1.00 15.00 H new ATOM 0 HE1 TRP A 303 9.848 2.626 1.771 1.00 15.00 H new ATOM 0 HE3 TRP A 303 4.492 2.308 1.864 1.00 15.00 H new ATOM 0 HZ2 TRP A 303 8.852 0.208 0.802 1.00 15.00 H new ATOM 0 HZ3 TRP A 303 4.606 0.050 0.915 1.00 15.00 H new ATOM 0 HH2 TRP A 303 6.762 -0.988 0.396 1.00 15.00 H new ATOM 102 N GLU A 304 3.137 5.608 1.661 1.00 15.00 N ATOM 103 CA GLU A 304 1.755 5.993 1.963 1.00 15.00 C ATOM 104 C GLU A 304 0.828 4.784 2.158 1.00 15.00 C ATOM 105 O GLU A 304 0.539 4.046 1.228 1.00 15.00 O ATOM 106 CB GLU A 304 1.231 6.996 0.924 1.00 15.00 C ATOM 107 CG GLU A 304 1.513 8.434 1.355 1.00 15.00 C ATOM 108 CD GLU A 304 1.374 9.471 0.263 1.00 15.00 C ATOM 109 OE1 GLU A 304 0.280 9.592 -0.327 1.00 15.00 O ATOM 110 OE2 GLU A 304 2.363 10.204 0.020 1.00 15.00 O1- ATOM 0 H GLU A 304 3.240 4.797 1.051 1.00 15.00 H new ATOM 0 HA GLU A 304 1.758 6.500 2.928 1.00 15.00 H new ATOM 0 HB2 GLU A 304 1.701 6.804 -0.041 1.00 15.00 H new ATOM 0 HB3 GLU A 304 0.158 6.857 0.789 1.00 15.00 H new ATOM 0 HG2 GLU A 304 0.835 8.693 2.168 1.00 15.00 H new ATOM 0 HG3 GLU A 304 2.525 8.485 1.756 1.00 15.00 H new ATOM 117 N ILE A 305 0.350 4.613 3.394 1.00 15.00 N ATOM 118 CA ILE A 305 -0.351 3.400 3.813 1.00 15.00 C ATOM 119 C ILE A 305 -1.861 3.493 3.599 1.00 15.00 C ATOM 120 O ILE A 305 -2.479 4.510 3.915 1.00 15.00 O ATOM 121 CB ILE A 305 -0.077 3.127 5.312 1.00 15.00 C ATOM 122 CG1 ILE A 305 -0.826 1.884 5.796 1.00 15.00 C ATOM 123 CG2 ILE A 305 -0.462 4.334 6.159 1.00 15.00 C ATOM 124 CD1 ILE A 305 -0.581 1.563 7.255 1.00 15.00 C ATOM 0 H ILE A 305 0.439 5.313 4.131 1.00 15.00 H new ATOM 0 HA ILE A 305 0.028 2.586 3.195 1.00 15.00 H new ATOM 0 HB ILE A 305 0.992 2.946 5.424 1.00 15.00 H new ATOM 0 HG12 ILE A 305 -1.895 2.029 5.638 1.00 15.00 H new ATOM 0 HG13 ILE A 305 -0.527 1.030 5.189 1.00 15.00 H new ATOM 0 HG21 ILE A 305 -0.261 4.121 7.209 1.00 15.00 H new ATOM 0 HG22 ILE A 305 0.123 5.199 5.846 1.00 15.00 H new ATOM 0 HG23 ILE A 305 -1.523 4.547 6.028 1.00 15.00 H new ATOM 0 HD11 ILE A 305 -1.143 0.670 7.530 1.00 15.00 H new ATOM 0 HD12 ILE A 305 0.483 1.386 7.415 1.00 15.00 H new ATOM 0 HD13 ILE A 305 -0.906 2.401 7.872 1.00 15.00 H new ATOM 136 N ARG A 306 -2.450 2.427 3.057 1.00 15.00 N ATOM 137 CA ARG A 306 -3.902 2.311 2.978 1.00 15.00 C ATOM 138 C ARG A 306 -4.344 0.857 3.149 1.00 15.00 C ATOM 139 O ARG A 306 -3.789 -0.054 2.534 1.00 15.00 O ATOM 140 CB ARG A 306 -4.443 2.858 1.657 1.00 15.00 C ATOM 141 CG ARG A 306 -4.189 4.338 1.448 1.00 15.00 C ATOM 142 CD ARG A 306 -5.281 4.965 0.608 1.00 15.00 C ATOM 143 NE ARG A 306 -6.595 4.810 1.233 1.00 15.00 N ATOM 144 CZ ARG A 306 -7.222 5.771 1.904 1.00 15.00 C ATOM 145 NH1 ARG A 306 -6.666 6.971 2.017 1.00 15.00 N1+ ATOM 146 NH2 ARG A 306 -8.405 5.530 2.460 1.00 15.00 N ATOM 0 H ARG A 306 -1.942 1.633 2.667 1.00 15.00 H new ATOM 0 HA ARG A 306 -4.313 2.909 3.791 1.00 15.00 H new ATOM 0 HB2 ARG A 306 -3.991 2.303 0.835 1.00 15.00 H new ATOM 0 HB3 ARG A 306 -5.517 2.675 1.613 1.00 15.00 H new ATOM 0 HG2 ARG A 306 -4.135 4.841 2.414 1.00 15.00 H new ATOM 0 HG3 ARG A 306 -3.224 4.479 0.960 1.00 15.00 H new ATOM 0 HD2 ARG A 306 -5.068 6.024 0.465 1.00 15.00 H new ATOM 0 HD3 ARG A 306 -5.291 4.505 -0.380 1.00 15.00 H new ATOM 0 HE ARG A 306 -7.060 3.906 1.148 1.00 15.00 H new ATOM 0 HH11 ARG A 306 -5.759 7.155 1.589 1.00 15.00 H new ATOM 0 HH12 ARG A 306 -7.146 7.709 2.532 1.00 15.00 H new ATOM 0 HH21 ARG A 306 -8.832 4.608 2.372 1.00 15.00 H new ATOM 0 HH22 ARG A 306 -8.886 6.267 2.975 1.00 15.00 H new ATOM 160 N ASN A 307 -5.359 0.654 3.976 1.00 15.00 N ATOM 161 CA ASN A 307 -5.892 -0.676 4.239 1.00 15.00 C ATOM 162 C ASN A 307 -7.163 -0.893 3.408 1.00 15.00 C ATOM 163 O ASN A 307 -8.115 -0.122 3.535 1.00 15.00 O ATOM 164 CB ASN A 307 -6.214 -0.810 5.735 1.00 15.00 C ATOM 165 CG ASN A 307 -6.591 -2.222 6.165 1.00 15.00 C ATOM 166 OD1 ASN A 307 -7.096 -3.022 5.382 1.00 15.00 O ATOM 167 ND2 ASN A 307 -6.350 -2.532 7.430 1.00 15.00 N ATOM 0 H ASN A 307 -5.835 1.401 4.481 1.00 15.00 H new ATOM 0 HA ASN A 307 -5.153 -1.428 3.962 1.00 15.00 H new ATOM 0 HB2 ASN A 307 -5.349 -0.484 6.313 1.00 15.00 H new ATOM 0 HB3 ASN A 307 -7.034 -0.135 5.981 1.00 15.00 H new ATOM 0 HD21 ASN A 307 -6.585 -3.460 7.781 1.00 15.00 H new ATOM 0 HD22 ASN A 307 -5.929 -1.842 8.053 1.00 15.00 H new ATOM 174 N THR A 308 -7.200 -1.933 2.574 1.00 15.00 N ATOM 175 CA THR A 308 -8.370 -2.185 1.749 1.00 15.00 C ATOM 176 C THR A 308 -9.348 -3.089 2.489 1.00 15.00 C ATOM 177 O THR A 308 -8.932 -3.963 3.258 1.00 15.00 O ATOM 178 CB THR A 308 -7.987 -2.852 0.412 1.00 15.00 C ATOM 179 OG1 THR A 308 -6.567 -2.988 0.326 1.00 15.00 O ATOM 180 CG2 THR A 308 -8.496 -2.040 -0.774 1.00 15.00 C ATOM 0 H THR A 308 -6.441 -2.604 2.456 1.00 15.00 H new ATOM 0 HA THR A 308 -8.835 -1.222 1.538 1.00 15.00 H new ATOM 0 HB THR A 308 -8.453 -3.837 0.379 1.00 15.00 H new ATOM 0 HG1 THR A 308 -6.181 -2.163 -0.036 1.00 15.00 H new ATOM 0 HG21 THR A 308 -8.211 -2.535 -1.703 1.00 15.00 H new ATOM 0 HG22 THR A 308 -9.582 -1.962 -0.723 1.00 15.00 H new ATOM 0 HG23 THR A 308 -8.059 -1.042 -0.746 1.00 15.00 H new ATOM 188 N ALA A 309 -10.642 -2.891 2.228 1.00 15.00 N ATOM 189 CA ALA A 309 -11.710 -3.616 2.924 1.00 15.00 C ATOM 190 C ALA A 309 -11.601 -5.124 2.724 1.00 15.00 C ATOM 191 O ALA A 309 -12.233 -5.904 3.437 1.00 15.00 O ATOM 192 CB ALA A 309 -13.071 -3.121 2.457 1.00 15.00 C ATOM 0 H ALA A 309 -10.979 -2.227 1.531 1.00 15.00 H new ATOM 0 HA ALA A 309 -11.599 -3.418 3.990 1.00 15.00 H new ATOM 0 HB1 ALA A 309 -13.856 -3.667 2.981 1.00 15.00 H new ATOM 0 HB2 ALA A 309 -13.164 -2.056 2.671 1.00 15.00 H new ATOM 0 HB3 ALA A 309 -13.169 -3.285 1.384 1.00 15.00 H new ATOM 198 N THR A 310 -10.805 -5.526 1.744 1.00 15.00 N ATOM 199 CA THR A 310 -10.521 -6.928 1.499 1.00 15.00 C ATOM 200 C THR A 310 -9.727 -7.533 2.665 1.00 15.00 C ATOM 201 O THR A 310 -9.612 -8.751 2.791 1.00 15.00 O ATOM 202 CB THR A 310 -9.721 -7.078 0.196 1.00 15.00 C ATOM 203 OG1 THR A 310 -10.085 -6.019 -0.706 1.00 15.00 O ATOM 204 CG2 THR A 310 -9.991 -8.424 -0.458 1.00 15.00 C ATOM 0 H THR A 310 -10.339 -4.888 1.098 1.00 15.00 H new ATOM 0 HA THR A 310 -11.468 -7.461 1.409 1.00 15.00 H new ATOM 0 HB THR A 310 -8.658 -7.021 0.430 1.00 15.00 H new ATOM 0 HG1 THR A 310 -9.576 -6.109 -1.539 1.00 15.00 H new ATOM 0 HG21 THR A 310 -9.412 -8.504 -1.378 1.00 15.00 H new ATOM 0 HG22 THR A 310 -9.702 -9.224 0.223 1.00 15.00 H new ATOM 0 HG23 THR A 310 -11.053 -8.510 -0.689 1.00 15.00 H new ATOM 212 N GLY A 311 -9.176 -6.663 3.506 1.00 15.00 N ATOM 213 CA GLY A 311 -8.447 -7.108 4.676 1.00 15.00 C ATOM 214 C GLY A 311 -6.954 -7.198 4.439 1.00 15.00 C ATOM 215 O GLY A 311 -6.296 -8.099 4.963 1.00 15.00 O ATOM 0 H GLY A 311 -9.223 -5.650 3.395 1.00 15.00 H new ATOM 0 HA2 GLY A 311 -8.638 -6.421 5.501 1.00 15.00 H new ATOM 0 HA3 GLY A 311 -8.821 -8.085 4.982 1.00 15.00 H new ATOM 219 N ARG A 312 -6.416 -6.274 3.651 1.00 15.00 N ATOM 220 CA ARG A 312 -4.983 -6.261 3.348 1.00 15.00 C ATOM 221 C ARG A 312 -4.512 -4.822 3.200 1.00 15.00 C ATOM 222 O ARG A 312 -5.281 -3.963 2.770 1.00 15.00 O ATOM 223 CB ARG A 312 -4.658 -7.028 2.061 1.00 15.00 C ATOM 224 CG ARG A 312 -5.326 -8.382 1.919 1.00 15.00 C ATOM 225 CD ARG A 312 -4.757 -9.127 0.727 1.00 15.00 C ATOM 226 NE ARG A 312 -5.559 -10.290 0.359 1.00 15.00 N ATOM 227 CZ ARG A 312 -5.178 -11.553 0.549 1.00 15.00 C ATOM 228 NH1 ARG A 312 -4.041 -11.830 1.178 1.00 15.00 N1+ ATOM 229 NH2 ARG A 312 -5.950 -12.539 0.113 1.00 15.00 N ATOM 0 H ARG A 312 -6.947 -5.523 3.209 1.00 15.00 H new ATOM 0 HA ARG A 312 -4.467 -6.754 4.172 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -4.944 -6.411 1.209 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -3.578 -7.168 2.005 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -5.176 -8.966 2.827 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -6.401 -8.254 1.797 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -4.694 -8.449 -0.124 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -3.741 -9.448 0.955 1.00 15.00 H new ATOM 0 HE ARG A 312 -6.469 -10.125 -0.071 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -3.450 -11.073 1.521 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -3.759 -12.800 1.318 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -6.827 -12.328 -0.363 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -5.667 -13.509 0.254 1.00 15.00 H new ATOM 243 N VAL A 313 -3.255 -4.555 3.525 1.00 15.00 N ATOM 244 CA VAL A 313 -2.764 -3.186 3.531 1.00 15.00 C ATOM 245 C VAL A 313 -1.730 -2.934 2.421 1.00 15.00 C ATOM 246 O VAL A 313 -0.578 -3.337 2.521 1.00 15.00 O ATOM 247 CB VAL A 313 -2.150 -2.823 4.897 1.00 15.00 C ATOM 248 CG1 VAL A 313 -1.943 -1.324 5.010 1.00 15.00 C ATOM 249 CG2 VAL A 313 -3.028 -3.328 6.033 1.00 15.00 C ATOM 0 H VAL A 313 -2.564 -5.259 3.785 1.00 15.00 H new ATOM 0 HA VAL A 313 -3.627 -2.548 3.342 1.00 15.00 H new ATOM 0 HB VAL A 313 -1.178 -3.310 4.973 1.00 15.00 H new ATOM 0 HG11 VAL A 313 -1.509 -1.089 5.982 1.00 15.00 H new ATOM 0 HG12 VAL A 313 -1.270 -0.989 4.221 1.00 15.00 H new ATOM 0 HG13 VAL A 313 -2.902 -0.816 4.909 1.00 15.00 H new ATOM 0 HG21 VAL A 313 -2.576 -3.061 6.988 1.00 15.00 H new ATOM 0 HG22 VAL A 313 -4.016 -2.873 5.959 1.00 15.00 H new ATOM 0 HG23 VAL A 313 -3.122 -4.412 5.966 1.00 15.00 H new ATOM 259 N TYR A 314 -2.167 -2.258 1.369 1.00 15.00 N ATOM 260 CA TYR A 314 -1.311 -1.801 0.307 1.00 15.00 C ATOM 261 C TYR A 314 -0.783 -0.407 0.638 1.00 15.00 C ATOM 262 O TYR A 314 -1.540 0.529 0.900 1.00 15.00 O ATOM 263 CB TYR A 314 -2.101 -1.756 -1.020 1.00 15.00 C ATOM 264 CG TYR A 314 -3.230 -0.732 -1.041 1.00 15.00 C ATOM 265 CD1 TYR A 314 -4.424 -0.968 -0.375 1.00 15.00 C ATOM 266 CD2 TYR A 314 -3.090 0.477 -1.717 1.00 15.00 C ATOM 267 CE1 TYR A 314 -5.444 -0.033 -0.380 1.00 15.00 C ATOM 268 CE2 TYR A 314 -4.106 1.419 -1.726 1.00 15.00 C ATOM 269 CZ TYR A 314 -5.278 1.157 -1.054 1.00 15.00 C ATOM 270 OH TYR A 314 -6.292 2.082 -1.068 1.00 15.00 O ATOM 0 H TYR A 314 -3.148 -2.012 1.236 1.00 15.00 H new ATOM 0 HA TYR A 314 -0.473 -2.489 0.201 1.00 15.00 H new ATOM 0 HB2 TYR A 314 -1.410 -1.535 -1.834 1.00 15.00 H new ATOM 0 HB3 TYR A 314 -2.518 -2.744 -1.215 1.00 15.00 H new ATOM 0 HD1 TYR A 314 -4.560 -1.898 0.157 1.00 15.00 H new ATOM 0 HD2 TYR A 314 -2.171 0.685 -2.245 1.00 15.00 H new ATOM 0 HE1 TYR A 314 -6.367 -0.235 0.143 1.00 15.00 H new ATOM 0 HE2 TYR A 314 -3.979 2.351 -2.256 1.00 15.00 H new ATOM 0 HH TYR A 314 -6.814 2.008 -0.242 1.00 15.00 H new ATOM 280 N PHE A 315 0.521 -0.289 0.674 1.00 15.00 N ATOM 281 CA PHE A 315 1.159 0.997 0.815 1.00 15.00 C ATOM 282 C PHE A 315 1.611 1.437 -0.561 1.00 15.00 C ATOM 283 O PHE A 315 2.409 0.758 -1.186 1.00 15.00 O ATOM 284 CB PHE A 315 2.390 0.920 1.721 1.00 15.00 C ATOM 285 CG PHE A 315 2.167 0.432 3.129 1.00 15.00 C ATOM 286 CD1 PHE A 315 1.517 -0.763 3.380 1.00 15.00 C ATOM 287 CD2 PHE A 315 2.649 1.164 4.204 1.00 15.00 C ATOM 288 CE1 PHE A 315 1.345 -1.216 4.671 1.00 15.00 C ATOM 289 CE2 PHE A 315 2.485 0.712 5.499 1.00 15.00 C ATOM 290 CZ PHE A 315 1.830 -0.481 5.731 1.00 15.00 C ATOM 0 H PHE A 315 1.167 -1.076 0.607 1.00 15.00 H new ATOM 0 HA PHE A 315 0.450 1.695 1.260 1.00 15.00 H new ATOM 0 HB2 PHE A 315 3.121 0.265 1.246 1.00 15.00 H new ATOM 0 HB3 PHE A 315 2.837 1.913 1.772 1.00 15.00 H new ATOM 0 HD1 PHE A 315 1.140 -1.348 2.555 1.00 15.00 H new ATOM 0 HD2 PHE A 315 3.159 2.099 4.026 1.00 15.00 H new ATOM 0 HE1 PHE A 315 0.830 -2.148 4.852 1.00 15.00 H new ATOM 0 HE2 PHE A 315 2.868 1.290 6.327 1.00 15.00 H new ATOM 0 HZ PHE A 315 1.698 -0.838 6.742 1.00 15.00 H new ATOM 300 N VAL A 316 1.124 2.551 -1.046 1.00 15.00 N ATOM 301 CA VAL A 316 1.553 3.003 -2.344 1.00 15.00 C ATOM 302 C VAL A 316 2.787 3.894 -2.187 1.00 15.00 C ATOM 303 O VAL A 316 2.791 4.823 -1.372 1.00 15.00 O ATOM 304 CB VAL A 316 0.444 3.751 -3.130 1.00 15.00 C ATOM 305 CG1 VAL A 316 -0.687 2.810 -3.502 1.00 15.00 C ATOM 306 CG2 VAL A 316 -0.112 4.937 -2.366 1.00 15.00 C ATOM 0 H VAL A 316 0.446 3.150 -0.575 1.00 15.00 H new ATOM 0 HA VAL A 316 1.796 2.117 -2.931 1.00 15.00 H new ATOM 0 HB VAL A 316 0.915 4.130 -4.037 1.00 15.00 H new ATOM 0 HG11 VAL A 316 -1.451 3.359 -4.052 1.00 15.00 H new ATOM 0 HG12 VAL A 316 -0.300 2.004 -4.125 1.00 15.00 H new ATOM 0 HG13 VAL A 316 -1.124 2.390 -2.596 1.00 15.00 H new ATOM 0 HG21 VAL A 316 -0.884 5.424 -2.962 1.00 15.00 H new ATOM 0 HG22 VAL A 316 -0.542 4.594 -1.425 1.00 15.00 H new ATOM 0 HG23 VAL A 316 0.690 5.646 -2.162 1.00 15.00 H new ATOM 316 N ASP A 317 3.855 3.589 -2.922 1.00 15.00 N ATOM 317 CA ASP A 317 5.060 4.385 -2.836 1.00 15.00 C ATOM 318 C ASP A 317 4.959 5.486 -3.865 1.00 15.00 C ATOM 319 O ASP A 317 4.786 5.209 -5.053 1.00 15.00 O ATOM 320 CB ASP A 317 6.321 3.574 -3.150 1.00 15.00 C ATOM 321 CG ASP A 317 6.229 2.114 -2.800 1.00 15.00 C ATOM 322 OD1 ASP A 317 6.594 1.760 -1.668 1.00 15.00 O ATOM 323 OD2 ASP A 317 5.854 1.319 -3.682 1.00 15.00 O1- ATOM 0 H ASP A 317 3.903 2.805 -3.573 1.00 15.00 H new ATOM 0 HA ASP A 317 5.143 4.763 -1.817 1.00 15.00 H new ATOM 0 HB2 ASP A 317 6.541 3.666 -4.214 1.00 15.00 H new ATOM 0 HB3 ASP A 317 7.162 4.011 -2.611 1.00 15.00 H new ATOM 328 N HIS A 318 5.049 6.731 -3.429 1.00 15.00 N ATOM 329 CA HIS A 318 5.017 7.854 -4.360 1.00 15.00 C ATOM 330 C HIS A 318 6.324 7.949 -5.143 1.00 15.00 C ATOM 331 O HIS A 318 6.408 8.662 -6.138 1.00 15.00 O ATOM 332 CB HIS A 318 4.718 9.172 -3.643 1.00 15.00 C ATOM 333 CG HIS A 318 3.259 9.406 -3.361 1.00 15.00 C ATOM 334 ND1 HIS A 318 2.272 8.466 -3.577 1.00 15.00 N ATOM 335 CD2 HIS A 318 2.625 10.492 -2.865 1.00 15.00 C ATOM 336 CE1 HIS A 318 1.107 8.963 -3.221 1.00 15.00 C ATOM 337 NE2 HIS A 318 1.284 10.193 -2.781 1.00 15.00 N ATOM 0 H HIS A 318 5.144 6.992 -2.447 1.00 15.00 H new ATOM 0 HA HIS A 318 4.206 7.671 -5.065 1.00 15.00 H new ATOM 0 HB2 HIS A 318 5.266 9.192 -2.701 1.00 15.00 H new ATOM 0 HB3 HIS A 318 5.096 9.996 -4.249 1.00 15.00 H new ATOM 0 HD1 HIS A 318 2.422 7.530 -3.954 1.00 15.00 H new ATOM 0 HD2 HIS A 318 3.088 11.427 -2.585 1.00 15.00 H new ATOM 0 HE1 HIS A 318 0.160 8.447 -3.280 1.00 15.00 H new ATOM 346 N ASN A 319 7.345 7.242 -4.668 1.00 15.00 N ATOM 347 CA ASN A 319 8.644 7.214 -5.337 1.00 15.00 C ATOM 348 C ASN A 319 8.555 6.547 -6.708 1.00 15.00 C ATOM 349 O ASN A 319 8.671 7.207 -7.737 1.00 15.00 O ATOM 350 CB ASN A 319 9.684 6.484 -4.480 1.00 15.00 C ATOM 351 CG ASN A 319 10.166 7.312 -3.306 1.00 15.00 C ATOM 352 OD1 ASN A 319 11.105 8.093 -3.432 1.00 15.00 O ATOM 353 ND2 ASN A 319 9.543 7.134 -2.150 1.00 15.00 N ATOM 0 H ASN A 319 7.299 6.678 -3.819 1.00 15.00 H new ATOM 0 HA ASN A 319 8.955 8.249 -5.475 1.00 15.00 H new ATOM 0 HB2 ASN A 319 9.254 5.553 -4.110 1.00 15.00 H new ATOM 0 HB3 ASN A 319 10.537 6.215 -5.103 1.00 15.00 H new ATOM 0 HD21 ASN A 319 9.840 7.655 -1.325 1.00 15.00 H new ATOM 0 HD22 ASN A 319 8.767 6.476 -2.085 1.00 15.00 H new ATOM 360 N ASN A 320 8.352 5.233 -6.719 1.00 15.00 N ATOM 361 CA ASN A 320 8.289 4.480 -7.973 1.00 15.00 C ATOM 362 C ASN A 320 6.869 4.483 -8.530 1.00 15.00 C ATOM 363 O ASN A 320 6.642 4.135 -9.689 1.00 15.00 O ATOM 364 CB ASN A 320 8.776 3.041 -7.766 1.00 15.00 C ATOM 365 CG ASN A 320 8.937 2.281 -9.073 1.00 15.00 C ATOM 366 OD1 ASN A 320 10.125 2.345 -9.651 1.00 15.00 O flip ATOM 367 ND2 ASN A 320 8.007 1.632 -9.551 1.00 15.00 N flip ATOM 0 H ASN A 320 8.229 4.667 -5.879 1.00 15.00 H new ATOM 0 HA ASN A 320 8.946 4.966 -8.694 1.00 15.00 H new ATOM 0 HB2 ASN A 320 9.731 3.057 -7.240 1.00 15.00 H new ATOM 0 HB3 ASN A 320 8.069 2.511 -7.127 1.00 15.00 H new ATOM 0 HD21 ASN A 320 7.105 1.607 -9.075 1.00 15.00 H new ATOM 0 HD22 ASN A 320 8.138 1.119 -10.423 1.00 15.00 H new ATOM 374 N ARG A 321 5.921 4.863 -7.678 1.00 15.00 N ATOM 375 CA ARG A 321 4.500 4.867 -8.016 1.00 15.00 C ATOM 376 C ARG A 321 3.984 3.444 -8.175 1.00 15.00 C ATOM 377 O ARG A 321 3.529 3.041 -9.244 1.00 15.00 O ATOM 378 CB ARG A 321 4.211 5.688 -9.278 1.00 15.00 C ATOM 379 CG ARG A 321 4.615 7.146 -9.164 1.00 15.00 C ATOM 380 CD ARG A 321 4.196 7.938 -10.391 1.00 15.00 C ATOM 381 NE ARG A 321 4.758 7.390 -11.625 1.00 15.00 N ATOM 382 CZ ARG A 321 5.354 8.125 -12.561 1.00 15.00 C ATOM 383 NH1 ARG A 321 5.497 9.438 -12.393 1.00 15.00 N1+ ATOM 384 NH2 ARG A 321 5.815 7.548 -13.664 1.00 15.00 N ATOM 0 H ARG A 321 6.118 5.179 -6.728 1.00 15.00 H new ATOM 0 HA ARG A 321 3.972 5.344 -7.190 1.00 15.00 H new ATOM 0 HB2 ARG A 321 4.737 5.239 -10.121 1.00 15.00 H new ATOM 0 HB3 ARG A 321 3.146 5.632 -9.501 1.00 15.00 H new ATOM 0 HG2 ARG A 321 4.159 7.582 -8.275 1.00 15.00 H new ATOM 0 HG3 ARG A 321 5.695 7.216 -9.036 1.00 15.00 H new ATOM 0 HD2 ARG A 321 3.108 7.945 -10.462 1.00 15.00 H new ATOM 0 HD3 ARG A 321 4.515 8.974 -10.278 1.00 15.00 H new ATOM 0 HE ARG A 321 4.689 6.384 -11.778 1.00 15.00 H new ATOM 0 HH11 ARG A 321 5.149 9.884 -11.544 1.00 15.00 H new ATOM 0 HH12 ARG A 321 5.954 9.997 -13.113 1.00 15.00 H new ATOM 0 HH21 ARG A 321 5.712 6.542 -13.794 1.00 15.00 H new ATOM 0 HH22 ARG A 321 6.272 8.111 -14.381 1.00 15.00 H new ATOM 398 N THR A 322 4.086 2.677 -7.103 1.00 15.00 N ATOM 399 CA THR A 322 3.590 1.310 -7.084 1.00 15.00 C ATOM 400 C THR A 322 2.716 1.099 -5.853 1.00 15.00 C ATOM 401 O THR A 322 2.915 1.767 -4.841 1.00 15.00 O ATOM 402 CB THR A 322 4.753 0.296 -7.064 1.00 15.00 C ATOM 403 OG1 THR A 322 5.713 0.632 -8.072 1.00 15.00 O ATOM 404 CG2 THR A 322 4.250 -1.120 -7.307 1.00 15.00 C ATOM 0 H THR A 322 4.511 2.980 -6.227 1.00 15.00 H new ATOM 0 HA THR A 322 3.005 1.148 -7.990 1.00 15.00 H new ATOM 0 HB THR A 322 5.218 0.339 -6.079 1.00 15.00 H new ATOM 0 HG1 THR A 322 6.449 -0.015 -8.052 1.00 15.00 H new ATOM 0 HG21 THR A 322 5.091 -1.813 -7.288 1.00 15.00 H new ATOM 0 HG22 THR A 322 3.538 -1.392 -6.528 1.00 15.00 H new ATOM 0 HG23 THR A 322 3.761 -1.170 -8.280 1.00 15.00 H new ATOM 412 N THR A 323 1.731 0.215 -5.942 1.00 15.00 N ATOM 413 CA THR A 323 0.943 -0.126 -4.776 1.00 15.00 C ATOM 414 C THR A 323 1.509 -1.411 -4.151 1.00 15.00 C ATOM 415 O THR A 323 1.742 -2.399 -4.855 1.00 15.00 O ATOM 416 CB THR A 323 -0.567 -0.275 -5.112 1.00 15.00 C ATOM 417 OG1 THR A 323 -1.339 -0.164 -3.918 1.00 15.00 O ATOM 418 CG2 THR A 323 -0.897 -1.605 -5.763 1.00 15.00 C ATOM 0 H THR A 323 1.465 -0.270 -6.799 1.00 15.00 H new ATOM 0 HA THR A 323 1.012 0.690 -4.056 1.00 15.00 H new ATOM 0 HB THR A 323 -0.808 0.520 -5.818 1.00 15.00 H new ATOM 0 HG1 THR A 323 -2.130 0.389 -4.090 1.00 15.00 H new ATOM 0 HG21 THR A 323 -1.965 -1.651 -5.974 1.00 15.00 H new ATOM 0 HG22 THR A 323 -0.338 -1.703 -6.694 1.00 15.00 H new ATOM 0 HG23 THR A 323 -0.625 -2.417 -5.089 1.00 15.00 H new ATOM 426 N GLN A 324 1.764 -1.391 -2.849 1.00 15.00 N ATOM 427 CA GLN A 324 2.459 -2.487 -2.200 1.00 15.00 C ATOM 428 C GLN A 324 1.545 -3.254 -1.257 1.00 15.00 C ATOM 429 O GLN A 324 1.338 -2.837 -0.123 1.00 15.00 O ATOM 430 CB GLN A 324 3.654 -1.957 -1.398 1.00 15.00 C ATOM 431 CG GLN A 324 4.684 -1.203 -2.222 1.00 15.00 C ATOM 432 CD GLN A 324 5.475 -2.097 -3.155 1.00 15.00 C ATOM 433 OE1 GLN A 324 5.110 -2.296 -4.314 1.00 15.00 O ATOM 434 NE2 GLN A 324 6.576 -2.640 -2.657 1.00 15.00 N ATOM 0 H GLN A 324 1.499 -0.628 -2.226 1.00 15.00 H new ATOM 0 HA GLN A 324 2.799 -3.161 -2.986 1.00 15.00 H new ATOM 0 HB2 GLN A 324 3.284 -1.299 -0.612 1.00 15.00 H new ATOM 0 HB3 GLN A 324 4.145 -2.796 -0.906 1.00 15.00 H new ATOM 0 HG2 GLN A 324 4.179 -0.435 -2.807 1.00 15.00 H new ATOM 0 HG3 GLN A 324 5.373 -0.691 -1.550 1.00 15.00 H new ATOM 0 HE21 GLN A 324 6.846 -2.452 -1.692 1.00 15.00 H new ATOM 0 HE22 GLN A 324 7.154 -3.247 -3.239 1.00 15.00 H new ATOM 443 N PHE A 325 0.984 -4.363 -1.730 1.00 15.00 N ATOM 444 CA PHE A 325 0.350 -5.332 -0.832 1.00 15.00 C ATOM 445 C PHE A 325 1.433 -6.058 -0.085 1.00 15.00 C ATOM 446 O PHE A 325 1.198 -6.838 0.837 1.00 15.00 O ATOM 447 CB PHE A 325 -0.538 -6.324 -1.565 1.00 15.00 C ATOM 448 CG PHE A 325 -1.982 -6.006 -1.380 1.00 15.00 C ATOM 449 CD1 PHE A 325 -2.420 -5.383 -0.214 1.00 15.00 C ATOM 450 CD2 PHE A 325 -2.901 -6.310 -2.365 1.00 15.00 C ATOM 451 CE1 PHE A 325 -3.756 -5.072 -0.061 1.00 15.00 C ATOM 452 CE2 PHE A 325 -4.235 -6.006 -2.207 1.00 15.00 C ATOM 453 CZ PHE A 325 -4.664 -5.384 -1.054 1.00 15.00 C ATOM 0 H PHE A 325 0.953 -4.614 -2.718 1.00 15.00 H new ATOM 0 HA PHE A 325 -0.301 -4.789 -0.147 1.00 15.00 H new ATOM 0 HB2 PHE A 325 -0.296 -6.314 -2.628 1.00 15.00 H new ATOM 0 HB3 PHE A 325 -0.337 -7.332 -1.201 1.00 15.00 H new ATOM 0 HD1 PHE A 325 -1.716 -5.144 0.569 1.00 15.00 H new ATOM 0 HD2 PHE A 325 -2.569 -6.793 -3.272 1.00 15.00 H new ATOM 0 HE1 PHE A 325 -4.093 -4.582 0.840 1.00 15.00 H new ATOM 0 HE2 PHE A 325 -4.943 -6.254 -2.984 1.00 15.00 H new ATOM 0 HZ PHE A 325 -5.709 -5.141 -0.927 1.00 15.00 H new ATOM 463 N THR A 326 2.619 -5.798 -0.553 1.00 15.00 N ATOM 464 CA THR A 326 3.821 -6.292 0.074 1.00 15.00 C ATOM 465 C THR A 326 4.158 -5.291 1.159 1.00 15.00 C ATOM 466 O THR A 326 4.871 -4.312 0.926 1.00 15.00 O ATOM 467 CB THR A 326 4.997 -6.405 -0.920 1.00 15.00 C ATOM 468 OG1 THR A 326 4.583 -7.117 -2.091 1.00 15.00 O ATOM 469 CG2 THR A 326 6.179 -7.119 -0.286 1.00 15.00 C ATOM 0 H THR A 326 2.786 -5.234 -1.386 1.00 15.00 H new ATOM 0 HA THR A 326 3.658 -7.296 0.465 1.00 15.00 H new ATOM 0 HB THR A 326 5.305 -5.396 -1.194 1.00 15.00 H new ATOM 0 HG1 THR A 326 5.334 -7.183 -2.717 1.00 15.00 H new ATOM 0 HG21 THR A 326 6.994 -7.185 -1.007 1.00 15.00 H new ATOM 0 HG22 THR A 326 6.514 -6.562 0.589 1.00 15.00 H new ATOM 0 HG23 THR A 326 5.879 -8.123 0.015 1.00 15.00 H new ATOM 477 N ASP A 327 3.620 -5.520 2.335 1.00 15.00 N ATOM 478 CA ASP A 327 3.546 -4.488 3.328 1.00 15.00 C ATOM 479 C ASP A 327 4.493 -4.677 4.457 1.00 15.00 C ATOM 480 O ASP A 327 4.847 -5.788 4.850 1.00 15.00 O ATOM 481 CB ASP A 327 2.143 -4.321 3.889 1.00 15.00 C ATOM 482 CG ASP A 327 1.377 -5.625 4.086 1.00 15.00 C ATOM 483 OD1 ASP A 327 2.022 -6.682 4.238 1.00 15.00 O1- ATOM 484 OD2 ASP A 327 0.127 -5.589 4.140 1.00 15.00 O ATOM 0 H ASP A 327 3.228 -6.417 2.622 1.00 15.00 H new ATOM 0 HA ASP A 327 3.833 -3.583 2.792 1.00 15.00 H new ATOM 0 HB2 ASP A 327 2.208 -3.805 4.847 1.00 15.00 H new ATOM 0 HB3 ASP A 327 1.572 -3.678 3.219 1.00 15.00 H new ATOM 489 N PRO A 328 4.883 -3.541 5.009 1.00 15.00 N ATOM 490 CA PRO A 328 5.612 -3.474 6.252 1.00 15.00 C ATOM 491 C PRO A 328 4.705 -4.024 7.361 1.00 15.00 C ATOM 492 O PRO A 328 5.139 -4.308 8.475 1.00 15.00 O ATOM 493 CB PRO A 328 5.933 -1.973 6.404 1.00 15.00 C ATOM 494 CG PRO A 328 5.630 -1.369 5.059 1.00 15.00 C ATOM 495 CD PRO A 328 4.550 -2.204 4.494 1.00 15.00 C ATOM 0 HA PRO A 328 6.529 -4.061 6.294 1.00 15.00 H new ATOM 0 HB2 PRO A 328 5.326 -1.517 7.186 1.00 15.00 H new ATOM 0 HB3 PRO A 328 6.976 -1.819 6.679 1.00 15.00 H new ATOM 0 HG2 PRO A 328 5.315 -0.330 5.156 1.00 15.00 H new ATOM 0 HG3 PRO A 328 6.511 -1.376 4.417 1.00 15.00 H new ATOM 0 HD2 PRO A 328 3.566 -1.874 4.826 1.00 15.00 H new ATOM 0 HD3 PRO A 328 4.544 -2.178 3.404 1.00 15.00 H new ATOM 503 N ARG A 329 3.411 -4.131 7.011 1.00 15.00 N ATOM 504 CA ARG A 329 2.405 -4.795 7.833 1.00 15.00 C ATOM 505 C ARG A 329 2.763 -6.260 8.077 1.00 15.00 C ATOM 506 O ARG A 329 2.573 -6.776 9.179 1.00 15.00 O ATOM 507 CB ARG A 329 1.011 -4.716 7.172 1.00 15.00 C ATOM 508 CG ARG A 329 0.216 -3.488 7.574 1.00 15.00 C ATOM 509 CD ARG A 329 -0.153 -3.546 9.045 1.00 15.00 C ATOM 510 NE ARG A 329 -0.648 -4.872 9.420 1.00 15.00 N ATOM 511 CZ ARG A 329 -1.043 -5.208 10.646 1.00 15.00 C ATOM 512 NH1 ARG A 329 -1.121 -4.291 11.605 1.00 15.00 N1+ ATOM 513 NH2 ARG A 329 -1.382 -6.464 10.908 1.00 15.00 N ATOM 0 H ARG A 329 3.039 -3.753 6.140 1.00 15.00 H new ATOM 0 HA ARG A 329 2.380 -4.274 8.790 1.00 15.00 H new ATOM 0 HB2 ARG A 329 1.131 -4.722 6.089 1.00 15.00 H new ATOM 0 HB3 ARG A 329 0.443 -5.608 7.435 1.00 15.00 H new ATOM 0 HG2 ARG A 329 0.800 -2.589 7.376 1.00 15.00 H new ATOM 0 HG3 ARG A 329 -0.688 -3.420 6.969 1.00 15.00 H new ATOM 0 HD2 ARG A 329 0.719 -3.297 9.650 1.00 15.00 H new ATOM 0 HD3 ARG A 329 -0.915 -2.797 9.260 1.00 15.00 H new ATOM 0 HE ARG A 329 -0.693 -5.586 8.693 1.00 15.00 H new ATOM 0 HH11 ARG A 329 -0.877 -3.321 11.404 1.00 15.00 H new ATOM 0 HH12 ARG A 329 -1.425 -4.557 12.542 1.00 15.00 H new ATOM 0 HH21 ARG A 329 -1.339 -7.168 10.171 1.00 15.00 H new ATOM 0 HH22 ARG A 329 -1.685 -6.725 11.846 1.00 15.00 H new ATOM 645 N PRO B 207 -4.281 -9.418 -6.595 1.00 15.00 N ATOM 646 CA PRO B 207 -4.303 -8.162 -7.343 1.00 15.00 C ATOM 647 C PRO B 207 -4.705 -6.968 -6.479 1.00 15.00 C ATOM 648 O PRO B 207 -5.805 -6.931 -5.917 1.00 15.00 O ATOM 649 CB PRO B 207 -5.371 -8.409 -8.413 1.00 15.00 C ATOM 650 CG PRO B 207 -5.483 -9.895 -8.556 1.00 15.00 C ATOM 651 CD PRO B 207 -4.943 -10.515 -7.291 1.00 15.00 C ATOM 0 HA PRO B 207 -3.318 -7.913 -7.738 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -6.326 -7.973 -8.118 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -5.088 -7.947 -9.359 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -6.521 -10.188 -8.713 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -4.920 -10.240 -9.423 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -5.743 -10.942 -6.686 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -4.245 -11.322 -7.512 1.00 15.00 H new ATOM 659 N PRO B 208 -3.803 -5.976 -6.366 1.00 15.00 N ATOM 660 CA PRO B 208 -4.003 -4.801 -5.532 1.00 15.00 C ATOM 661 C PRO B 208 -4.573 -3.594 -6.283 1.00 15.00 C ATOM 662 O PRO B 208 -4.609 -3.569 -7.516 1.00 15.00 O ATOM 663 CB PRO B 208 -2.581 -4.508 -5.042 1.00 15.00 C ATOM 664 CG PRO B 208 -1.654 -5.089 -6.070 1.00 15.00 C ATOM 665 CD PRO B 208 -2.478 -5.943 -7.004 1.00 15.00 C ATOM 0 HA PRO B 208 -4.736 -4.982 -4.746 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -2.420 -3.435 -4.935 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -2.407 -4.956 -4.064 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -1.150 -4.296 -6.622 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -0.878 -5.686 -5.591 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -2.525 -5.512 -8.004 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -2.058 -6.944 -7.108 1.00 15.00 H new ATOM 673 N PRO B 209 -5.017 -2.579 -5.520 1.00 15.00 N ATOM 674 CA PRO B 209 -5.562 -1.316 -6.052 1.00 15.00 C ATOM 675 C PRO B 209 -4.675 -0.667 -7.118 1.00 15.00 C ATOM 676 O PRO B 209 -3.481 -0.473 -6.899 1.00 15.00 O ATOM 677 CB PRO B 209 -5.600 -0.414 -4.814 1.00 15.00 C ATOM 678 CG PRO B 209 -5.736 -1.340 -3.662 1.00 15.00 C ATOM 679 CD PRO B 209 -5.029 -2.602 -4.043 1.00 15.00 C ATOM 0 HA PRO B 209 -6.522 -1.478 -6.543 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -4.692 0.183 -4.734 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -6.437 0.283 -4.860 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.298 -0.907 -2.763 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.786 -1.535 -3.443 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.018 -2.630 -3.637 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.550 -3.481 -3.663 1.00 15.00 H new ATOM 687 N PRO B 210 -5.250 -0.324 -8.287 1.00 15.00 N ATOM 688 CA PRO B 210 -4.547 0.450 -9.324 1.00 15.00 C ATOM 689 C PRO B 210 -4.010 1.761 -8.756 1.00 15.00 C ATOM 690 O PRO B 210 -4.683 2.410 -7.952 1.00 15.00 O ATOM 691 CB PRO B 210 -5.638 0.717 -10.365 1.00 15.00 C ATOM 692 CG PRO B 210 -6.623 -0.382 -10.166 1.00 15.00 C ATOM 693 CD PRO B 210 -6.621 -0.669 -8.694 1.00 15.00 C ATOM 0 HA PRO B 210 -3.683 -0.074 -9.733 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -6.098 1.694 -10.216 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -5.232 0.707 -11.376 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -7.615 -0.084 -10.505 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -6.343 -1.267 -10.738 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -7.361 -0.068 -8.165 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -6.852 -1.714 -8.487 1.00 15.00 H new ATOM 701 N TYR B 211 -2.816 2.161 -9.187 1.00 15.00 N ATOM 702 CA TYR B 211 -2.113 3.254 -8.528 1.00 15.00 C ATOM 703 C TYR B 211 -2.731 4.620 -8.811 1.00 15.00 C ATOM 704 O TYR B 211 -2.491 5.239 -9.850 1.00 15.00 O ATOM 705 CB TYR B 211 -0.630 3.282 -8.894 1.00 15.00 C ATOM 706 CG TYR B 211 0.181 4.196 -8.000 1.00 15.00 C ATOM 707 CD1 TYR B 211 0.628 3.755 -6.763 1.00 15.00 C ATOM 708 CD2 TYR B 211 0.510 5.493 -8.386 1.00 15.00 C ATOM 709 CE1 TYR B 211 1.377 4.566 -5.945 1.00 15.00 C ATOM 710 CE2 TYR B 211 1.258 6.314 -7.557 1.00 15.00 C ATOM 711 CZ TYR B 211 1.687 5.839 -6.343 1.00 15.00 C ATOM 712 OH TYR B 211 2.448 6.632 -5.524 1.00 15.00 O ATOM 0 H TYR B 211 -2.322 1.750 -9.979 1.00 15.00 H new ATOM 0 HA TYR B 211 -2.214 3.055 -7.461 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -0.227 2.271 -8.833 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -0.523 3.606 -9.929 1.00 15.00 H new ATOM 0 HD1 TYR B 211 0.383 2.755 -6.437 1.00 15.00 H new ATOM 0 HD2 TYR B 211 0.178 5.864 -9.344 1.00 15.00 H new ATOM 0 HE1 TYR B 211 1.721 4.200 -4.989 1.00 15.00 H new ATOM 0 HE2 TYR B 211 1.502 7.320 -7.864 1.00 15.00 H new ATOM 0 HH TYR B 211 2.216 7.573 -5.672 1.00 15.00 H new ATOM 722 N SER B 212 -3.565 5.034 -7.892 1.00 15.00 N ATOM 723 CA SER B 212 -3.938 6.418 -7.721 1.00 15.00 C ATOM 724 C SER B 212 -3.172 6.903 -6.501 1.00 15.00 C ATOM 725 O SER B 212 -2.868 6.086 -5.631 1.00 15.00 O ATOM 726 CB SER B 212 -5.451 6.548 -7.538 1.00 15.00 C ATOM 727 OG SER B 212 -5.930 5.629 -6.574 1.00 15.00 O ATOM 0 H SER B 212 -4.015 4.406 -7.226 1.00 15.00 H new ATOM 0 HA SER B 212 -3.691 7.021 -8.595 1.00 15.00 H new ATOM 0 HB2 SER B 212 -5.697 7.564 -7.229 1.00 15.00 H new ATOM 0 HB3 SER B 212 -5.952 6.374 -8.491 1.00 15.00 H new ATOM 0 HG SER B 212 -6.894 5.501 -6.695 1.00 15.00 H new ATOM 733 N ARG B 213 -2.824 8.188 -6.420 1.00 15.00 N ATOM 734 CA ARG B 213 -1.927 8.634 -5.353 1.00 15.00 C ATOM 735 C ARG B 213 -2.566 8.311 -4.012 1.00 15.00 C ATOM 736 O ARG B 213 -1.918 7.784 -3.110 1.00 15.00 O ATOM 737 CB ARG B 213 -1.666 10.152 -5.398 1.00 15.00 C ATOM 738 CG ARG B 213 -1.571 10.763 -6.784 1.00 15.00 C ATOM 739 CD ARG B 213 -0.385 10.224 -7.571 1.00 15.00 C ATOM 740 NE ARG B 213 0.883 10.672 -6.997 1.00 15.00 N ATOM 741 CZ ARG B 213 2.040 10.720 -7.655 1.00 15.00 C ATOM 742 NH1 ARG B 213 2.116 10.350 -8.930 1.00 15.00 N1+ ATOM 743 NH2 ARG B 213 3.121 11.174 -7.033 1.00 15.00 N ATOM 0 H ARG B 213 -3.138 8.919 -7.059 1.00 15.00 H new ATOM 0 HA ARG B 213 -0.976 8.119 -5.489 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -2.464 10.656 -4.853 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -0.737 10.358 -4.866 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -2.491 10.560 -7.332 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -1.485 11.846 -6.696 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -0.417 9.135 -7.580 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -0.454 10.554 -8.608 1.00 15.00 H new ATOM 0 HE ARG B 213 0.881 10.970 -6.021 1.00 15.00 H new ATOM 0 HH11 ARG B 213 1.281 10.024 -9.417 1.00 15.00 H new ATOM 0 HH12 ARG B 213 3.009 10.392 -9.421 1.00 15.00 H new ATOM 0 HH21 ARG B 213 3.060 11.481 -6.062 1.00 15.00 H new ATOM 0 HH22 ARG B 213 4.013 11.216 -7.526 1.00 15.00 H new ATOM 757 N TYR B 214 -3.832 8.666 -3.886 1.00 15.00 N ATOM 758 CA TYR B 214 -4.627 8.304 -2.728 1.00 15.00 C ATOM 759 C TYR B 214 -5.817 7.485 -3.189 1.00 15.00 C ATOM 760 O TYR B 214 -6.831 8.035 -3.627 1.00 15.00 O ATOM 761 CB TYR B 214 -5.083 9.562 -1.971 1.00 15.00 C ATOM 762 CG TYR B 214 -3.990 10.600 -1.849 1.00 15.00 C ATOM 763 CD1 TYR B 214 -3.612 11.357 -2.953 1.00 15.00 C ATOM 764 CD2 TYR B 214 -3.314 10.802 -0.654 1.00 15.00 C ATOM 765 CE1 TYR B 214 -2.594 12.277 -2.878 1.00 15.00 C ATOM 766 CE2 TYR B 214 -2.296 11.732 -0.563 1.00 15.00 C ATOM 767 CZ TYR B 214 -1.936 12.465 -1.677 1.00 15.00 C ATOM 768 OH TYR B 214 -0.913 13.380 -1.588 1.00 15.00 O ATOM 0 H TYR B 214 -4.337 9.213 -4.583 1.00 15.00 H new ATOM 0 HA TYR B 214 -4.026 7.709 -2.040 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -5.938 10.000 -2.485 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -5.421 9.278 -0.974 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -4.130 11.219 -3.890 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -3.587 10.224 0.217 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -2.311 12.848 -3.750 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -1.784 11.885 0.375 1.00 15.00 H new ATOM 0 HH TYR B 214 -0.560 13.388 -0.674 1.00 15.00 H new ATOM 778 N PRO B 215 -5.683 6.164 -3.160 1.00 15.00 N ATOM 779 CA PRO B 215 -6.720 5.259 -3.620 1.00 15.00 C ATOM 780 C PRO B 215 -7.816 5.098 -2.581 1.00 15.00 C ATOM 781 O PRO B 215 -7.556 4.704 -1.452 1.00 15.00 O ATOM 782 CB PRO B 215 -5.982 3.930 -3.852 1.00 15.00 C ATOM 783 CG PRO B 215 -4.561 4.143 -3.412 1.00 15.00 C ATOM 784 CD PRO B 215 -4.514 5.441 -2.661 1.00 15.00 C ATOM 0 HA PRO B 215 -7.219 5.625 -4.517 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.447 3.125 -3.283 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.023 3.643 -4.903 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.228 3.321 -2.779 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -3.893 4.173 -4.273 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.568 5.284 -1.584 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -3.591 5.986 -2.858 1.00 15.00 H new