USER MOD reduce.3.24.130724 H: found=0, std=0, add=347, rem=0, adj=11 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 250 ASN : amide:sc= -0.298 K(o=-1.1,f=-9.9!) USER MOD Set 1.2: A 253 ASN : amide:sc= -0.799 K(o=-1.1,f=-4.7) USER MOD Single : A 238 GLN : amide:sc= -2.44 K(o=-2.4,f=-3.5) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 241 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 247 TYR OH : rot 180:sc= -1.8! USER MOD Single : A 248 TYR OH : rot -30:sc= -2.08! USER MOD Single : A 251 HIS : no HD1:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 252 LYS NZ :NH3+ 164:sc= -0.0423 (180deg=-0.274) USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 256 THR OG1 : rot 180:sc= 0 USER MOD Single : A 257 SER OG : rot 171:sc= 0.00349 USER MOD Single : B 206 SER OG : rot 29:sc= 0.148 USER MOD Single : B 211 TYR OH : rot 180:sc= -1.1 USER MOD Single : B 212 SER OG : rot 180:sc= 0.00576 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 10.035 -0.351 -6.275 1.00 15.00 N ATOM 2 CA GLY A 230 11.415 -0.801 -5.972 1.00 15.00 C ATOM 3 C GLY A 230 11.492 -1.486 -4.627 1.00 15.00 C ATOM 4 O GLY A 230 10.506 -2.060 -4.178 1.00 15.00 O ATOM 0 HA2 GLY A 230 11.755 -1.485 -6.750 1.00 15.00 H new ATOM 0 HA3 GLY A 230 12.089 0.056 -5.984 1.00 15.00 H new ATOM 10 N PRO A 231 12.658 -1.458 -3.966 1.00 15.00 N ATOM 11 CA PRO A 231 12.815 -1.989 -2.610 1.00 15.00 C ATOM 12 C PRO A 231 12.218 -1.051 -1.565 1.00 15.00 C ATOM 13 O PRO A 231 12.650 0.098 -1.439 1.00 15.00 O ATOM 14 CB PRO A 231 14.338 -2.090 -2.423 1.00 15.00 C ATOM 15 CG PRO A 231 14.943 -1.756 -3.752 1.00 15.00 C ATOM 16 CD PRO A 231 13.924 -0.934 -4.485 1.00 15.00 C ATOM 0 HA PRO A 231 12.301 -2.942 -2.485 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.683 -1.399 -1.653 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.626 -3.092 -2.104 1.00 15.00 H new ATOM 0 HG2 PRO A 231 15.873 -1.201 -3.627 1.00 15.00 H new ATOM 0 HG3 PRO A 231 15.184 -2.662 -4.308 1.00 15.00 H new ATOM 0 HD2 PRO A 231 14.037 0.130 -4.279 1.00 15.00 H new ATOM 0 HD3 PRO A 231 14.003 -1.060 -5.565 1.00 15.00 H new ATOM 24 N LEU A 232 11.228 -1.526 -0.815 1.00 15.00 N ATOM 25 CA LEU A 232 10.533 -0.657 0.129 1.00 15.00 C ATOM 26 C LEU A 232 11.202 -0.618 1.490 1.00 15.00 C ATOM 27 O LEU A 232 11.975 -1.511 1.834 1.00 15.00 O ATOM 28 CB LEU A 232 9.041 -0.976 0.308 1.00 15.00 C ATOM 29 CG LEU A 232 8.168 -0.622 -0.879 1.00 15.00 C ATOM 30 CD1 LEU A 232 8.513 0.760 -1.399 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.293 -1.665 -1.976 1.00 15.00 C ATOM 0 H LEU A 232 10.894 -2.489 -0.840 1.00 15.00 H new ATOM 0 HA LEU A 232 10.601 0.327 -0.335 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.934 -2.041 0.515 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.672 -0.442 1.184 1.00 15.00 H new ATOM 0 HG LEU A 232 7.129 -0.612 -0.549 1.00 15.00 H new ATOM 0 HD11 LEU A 232 7.876 0.997 -2.251 1.00 15.00 H new ATOM 0 HD12 LEU A 232 8.353 1.496 -0.611 1.00 15.00 H new ATOM 0 HD13 LEU A 232 9.558 0.782 -1.709 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.657 -1.387 -2.816 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.329 -1.721 -2.309 1.00 15.00 H new ATOM 0 HD23 LEU A 232 7.983 -2.637 -1.591 1.00 15.00 H new ATOM 43 N PRO A 233 10.899 0.428 2.296 1.00 15.00 N ATOM 44 CA PRO A 233 11.430 0.576 3.666 1.00 15.00 C ATOM 45 C PRO A 233 11.052 -0.588 4.591 1.00 15.00 C ATOM 46 O PRO A 233 11.520 -0.657 5.728 1.00 15.00 O ATOM 47 CB PRO A 233 10.753 1.873 4.144 1.00 15.00 C ATOM 48 CG PRO A 233 10.546 2.629 2.888 1.00 15.00 C ATOM 49 CD PRO A 233 10.033 1.587 1.955 1.00 15.00 C ATOM 0 HA PRO A 233 12.520 0.593 3.681 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.810 1.671 4.653 1.00 15.00 H new ATOM 0 HB3 PRO A 233 11.383 2.421 4.845 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.832 3.442 3.018 1.00 15.00 H new ATOM 0 HG3 PRO A 233 11.473 3.074 2.527 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.977 1.372 2.121 1.00 15.00 H new ATOM 0 HD3 PRO A 233 10.138 1.884 0.911 1.00 15.00 H new ATOM 57 N ASP A 234 10.153 -1.456 4.109 1.00 15.00 N ATOM 58 CA ASP A 234 9.688 -2.639 4.854 1.00 15.00 C ATOM 59 C ASP A 234 8.687 -2.259 5.931 1.00 15.00 C ATOM 60 O ASP A 234 8.311 -3.078 6.767 1.00 15.00 O ATOM 61 CB ASP A 234 10.851 -3.437 5.460 1.00 15.00 C ATOM 62 CG ASP A 234 11.372 -4.512 4.525 1.00 15.00 C ATOM 63 OD1 ASP A 234 11.969 -4.173 3.484 1.00 15.00 O1- ATOM 64 OD2 ASP A 234 11.186 -5.711 4.832 1.00 15.00 O ATOM 0 H ASP A 234 9.725 -1.359 3.188 1.00 15.00 H new ATOM 0 HA ASP A 234 9.188 -3.283 4.131 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.663 -2.754 5.711 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.523 -3.899 6.391 1.00 15.00 H new ATOM 69 N GLY A 235 8.246 -1.015 5.896 1.00 15.00 N ATOM 70 CA GLY A 235 7.119 -0.616 6.704 1.00 15.00 C ATOM 71 C GLY A 235 5.819 -0.917 5.985 1.00 15.00 C ATOM 72 O GLY A 235 4.775 -1.096 6.612 1.00 15.00 O ATOM 0 H GLY A 235 8.649 -0.274 5.322 1.00 15.00 H new ATOM 0 HA2 GLY A 235 7.144 -1.142 7.659 1.00 15.00 H new ATOM 0 HA3 GLY A 235 7.181 0.450 6.925 1.00 15.00 H new ATOM 76 N TRP A 236 5.900 -1.001 4.658 1.00 15.00 N ATOM 77 CA TRP A 236 4.733 -1.249 3.828 1.00 15.00 C ATOM 78 C TRP A 236 4.955 -2.257 2.720 1.00 15.00 C ATOM 79 O TRP A 236 6.047 -2.379 2.162 1.00 15.00 O ATOM 80 CB TRP A 236 4.126 0.040 3.269 1.00 15.00 C ATOM 81 CG TRP A 236 5.065 1.186 3.037 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.385 1.162 2.688 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.712 2.565 3.171 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.869 2.447 2.618 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.856 3.325 2.911 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.524 3.224 3.491 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.850 4.720 2.972 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.517 4.603 3.548 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.675 5.339 3.291 1.00 15.00 C ATOM 0 H TRP A 236 6.770 -0.899 4.136 1.00 15.00 H new ATOM 0 HA TRP A 236 4.014 -1.700 4.512 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.639 -0.197 2.323 1.00 15.00 H new ATOM 0 HB3 TRP A 236 3.347 0.373 3.954 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.961 0.269 2.496 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.828 2.706 2.385 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.623 2.663 3.691 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.745 5.291 2.773 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.602 5.120 3.795 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.641 6.417 3.345 1.00 15.00 H new ATOM 100 N GLU A 237 3.860 -2.935 2.399 1.00 15.00 N ATOM 101 CA GLU A 237 3.825 -4.023 1.444 1.00 15.00 C ATOM 102 C GLU A 237 2.793 -3.695 0.360 1.00 15.00 C ATOM 103 O GLU A 237 1.727 -3.147 0.664 1.00 15.00 O ATOM 104 CB GLU A 237 3.437 -5.300 2.202 1.00 15.00 C ATOM 105 CG GLU A 237 3.515 -6.565 1.379 1.00 15.00 C ATOM 106 CD GLU A 237 4.914 -6.832 0.872 1.00 15.00 C ATOM 107 OE1 GLU A 237 5.706 -7.467 1.608 1.00 15.00 O1- ATOM 108 OE2 GLU A 237 5.234 -6.402 -0.254 1.00 15.00 O ATOM 0 H GLU A 237 2.949 -2.733 2.810 1.00 15.00 H new ATOM 0 HA GLU A 237 4.794 -4.166 0.965 1.00 15.00 H new ATOM 0 HB2 GLU A 237 4.089 -5.405 3.069 1.00 15.00 H new ATOM 0 HB3 GLU A 237 2.420 -5.189 2.579 1.00 15.00 H new ATOM 0 HG2 GLU A 237 3.182 -7.410 1.982 1.00 15.00 H new ATOM 0 HG3 GLU A 237 2.832 -6.488 0.533 1.00 15.00 H new ATOM 115 N GLN A 238 3.089 -4.036 -0.890 1.00 15.00 N ATOM 116 CA GLN A 238 2.214 -3.673 -2.006 1.00 15.00 C ATOM 117 C GLN A 238 1.159 -4.762 -2.260 1.00 15.00 C ATOM 118 O GLN A 238 1.502 -5.883 -2.634 1.00 15.00 O ATOM 119 CB GLN A 238 3.035 -3.429 -3.284 1.00 15.00 C ATOM 120 CG GLN A 238 2.187 -3.151 -4.513 1.00 15.00 C ATOM 121 CD GLN A 238 1.891 -1.682 -4.704 1.00 15.00 C ATOM 122 OE1 GLN A 238 2.617 -0.982 -5.404 1.00 15.00 O ATOM 123 NE2 GLN A 238 0.841 -1.197 -4.068 1.00 15.00 N ATOM 0 H GLN A 238 3.922 -4.560 -1.158 1.00 15.00 H new ATOM 0 HA GLN A 238 1.699 -2.751 -1.736 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.706 -2.586 -3.118 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.660 -4.301 -3.475 1.00 15.00 H new ATOM 0 HG2 GLN A 238 2.701 -3.531 -5.396 1.00 15.00 H new ATOM 0 HG3 GLN A 238 1.248 -3.698 -4.431 1.00 15.00 H new ATOM 0 HE21 GLN A 238 0.262 -1.812 -3.496 1.00 15.00 H new ATOM 0 HE22 GLN A 238 0.608 -0.207 -4.149 1.00 15.00 H new ATOM 132 N ALA A 239 -0.120 -4.438 -2.047 1.00 15.00 N ATOM 133 CA ALA A 239 -1.206 -5.369 -2.324 1.00 15.00 C ATOM 134 C ALA A 239 -2.060 -4.849 -3.477 1.00 15.00 C ATOM 135 O ALA A 239 -2.160 -3.643 -3.682 1.00 15.00 O ATOM 136 CB ALA A 239 -2.053 -5.587 -1.079 1.00 15.00 C ATOM 0 H ALA A 239 -0.424 -3.535 -1.683 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.780 -6.329 -2.614 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -2.859 -6.285 -1.305 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.431 -5.996 -0.283 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.477 -4.636 -0.756 1.00 15.00 H new ATOM 142 N MET A 240 -2.657 -5.754 -4.239 1.00 15.00 N ATOM 143 CA MET A 240 -3.418 -5.374 -5.425 1.00 15.00 C ATOM 144 C MET A 240 -4.913 -5.574 -5.203 1.00 15.00 C ATOM 145 O MET A 240 -5.346 -6.659 -4.812 1.00 15.00 O ATOM 146 CB MET A 240 -2.970 -6.205 -6.637 1.00 15.00 C ATOM 147 CG MET A 240 -1.491 -6.075 -6.984 1.00 15.00 C ATOM 148 SD MET A 240 -0.403 -6.896 -5.800 1.00 15.00 S ATOM 149 CE MET A 240 1.207 -6.450 -6.447 1.00 15.00 C ATOM 0 H MET A 240 -2.630 -6.758 -4.059 1.00 15.00 H new ATOM 0 HA MET A 240 -3.228 -4.318 -5.617 1.00 15.00 H new ATOM 0 HB2 MET A 240 -3.194 -7.254 -6.444 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.561 -5.907 -7.503 1.00 15.00 H new ATOM 0 HG2 MET A 240 -1.320 -6.494 -7.975 1.00 15.00 H new ATOM 0 HG3 MET A 240 -1.229 -5.018 -7.035 1.00 15.00 H new ATOM 0 HE1 MET A 240 1.985 -6.885 -5.819 1.00 15.00 H new ATOM 0 HE2 MET A 240 1.308 -6.828 -7.464 1.00 15.00 H new ATOM 0 HE3 MET A 240 1.310 -5.365 -6.451 1.00 15.00 H new ATOM 159 N THR A 241 -5.703 -4.536 -5.464 1.00 15.00 N ATOM 160 CA THR A 241 -7.150 -4.660 -5.388 1.00 15.00 C ATOM 161 C THR A 241 -7.707 -4.932 -6.786 1.00 15.00 C ATOM 162 O THR A 241 -7.171 -4.435 -7.789 1.00 15.00 O ATOM 163 CB THR A 241 -7.818 -3.408 -4.758 1.00 15.00 C ATOM 164 OG1 THR A 241 -9.137 -3.731 -4.293 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.901 -2.250 -5.740 1.00 15.00 C ATOM 0 H THR A 241 -5.367 -3.610 -5.727 1.00 15.00 H new ATOM 0 HA THR A 241 -7.385 -5.497 -4.731 1.00 15.00 H new ATOM 0 HB THR A 241 -7.193 -3.097 -3.921 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.548 -2.935 -3.896 1.00 15.00 H new ATOM 0 HG21 THR A 241 -8.375 -1.396 -5.256 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.897 -1.973 -6.062 1.00 15.00 H new ATOM 0 HG23 THR A 241 -8.490 -2.549 -6.607 1.00 15.00 H new ATOM 173 N GLN A 242 -8.787 -5.707 -6.840 1.00 15.00 N ATOM 174 CA GLN A 242 -9.283 -6.274 -8.093 1.00 15.00 C ATOM 175 C GLN A 242 -9.768 -5.202 -9.074 1.00 15.00 C ATOM 176 O GLN A 242 -9.903 -5.465 -10.271 1.00 15.00 O ATOM 177 CB GLN A 242 -10.386 -7.297 -7.799 1.00 15.00 C ATOM 178 CG GLN A 242 -10.950 -7.980 -9.035 1.00 15.00 C ATOM 179 CD GLN A 242 -11.718 -9.244 -8.708 1.00 15.00 C ATOM 180 OE1 GLN A 242 -11.152 -10.339 -8.694 1.00 15.00 O ATOM 181 NE2 GLN A 242 -13.003 -9.109 -8.432 1.00 15.00 N ATOM 0 H GLN A 242 -9.341 -5.959 -6.022 1.00 15.00 H new ATOM 0 HA GLN A 242 -8.449 -6.777 -8.582 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -9.990 -8.058 -7.126 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -11.198 -6.797 -7.272 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -11.607 -7.287 -9.560 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -10.133 -8.222 -9.715 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -13.435 -8.185 -8.454 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -13.563 -9.928 -8.197 1.00 15.00 H new ATOM 190 N ASP A 243 -10.022 -3.997 -8.574 1.00 15.00 N ATOM 191 CA ASP A 243 -10.397 -2.870 -9.431 1.00 15.00 C ATOM 192 C ASP A 243 -9.249 -2.503 -10.376 1.00 15.00 C ATOM 193 O ASP A 243 -9.429 -1.750 -11.335 1.00 15.00 O ATOM 194 CB ASP A 243 -10.793 -1.655 -8.581 1.00 15.00 C ATOM 195 CG ASP A 243 -11.428 -0.550 -9.402 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.655 -0.601 -9.626 1.00 15.00 O1- ATOM 197 OD2 ASP A 243 -10.707 0.378 -9.826 1.00 15.00 O ATOM 0 H ASP A 243 -9.976 -3.772 -7.580 1.00 15.00 H new ATOM 0 HA ASP A 243 -11.256 -3.171 -10.031 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.489 -1.971 -7.804 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -9.909 -1.265 -8.077 1.00 15.00 H new ATOM 202 N GLY A 244 -8.072 -3.060 -10.107 1.00 15.00 N ATOM 203 CA GLY A 244 -6.910 -2.796 -10.934 1.00 15.00 C ATOM 204 C GLY A 244 -5.966 -1.768 -10.337 1.00 15.00 C ATOM 205 O GLY A 244 -5.127 -1.213 -11.046 1.00 15.00 O ATOM 0 H GLY A 244 -7.903 -3.693 -9.326 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -6.367 -3.728 -11.093 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -7.241 -2.449 -11.913 1.00 15.00 H new ATOM 209 N GLU A 245 -6.071 -1.529 -9.034 1.00 15.00 N ATOM 210 CA GLU A 245 -5.247 -0.515 -8.383 1.00 15.00 C ATOM 211 C GLU A 245 -4.419 -1.150 -7.272 1.00 15.00 C ATOM 212 O GLU A 245 -4.930 -1.933 -6.472 1.00 15.00 O ATOM 213 CB GLU A 245 -6.115 0.610 -7.805 1.00 15.00 C ATOM 214 CG GLU A 245 -6.881 1.415 -8.845 1.00 15.00 C ATOM 215 CD GLU A 245 -5.975 2.223 -9.756 1.00 15.00 C ATOM 216 OE1 GLU A 245 -5.620 3.364 -9.389 1.00 15.00 O1- ATOM 217 OE2 GLU A 245 -5.626 1.730 -10.845 1.00 15.00 O ATOM 0 H GLU A 245 -6.713 -2.019 -8.411 1.00 15.00 H new ATOM 0 HA GLU A 245 -4.581 -0.086 -9.132 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.827 0.177 -7.102 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -5.478 1.288 -7.237 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -7.483 0.737 -9.450 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -7.572 2.089 -8.338 1.00 15.00 H new ATOM 224 N ILE A 246 -3.145 -0.804 -7.217 1.00 15.00 N ATOM 225 CA ILE A 246 -2.257 -1.360 -6.210 1.00 15.00 C ATOM 226 C ILE A 246 -2.073 -0.369 -5.059 1.00 15.00 C ATOM 227 O ILE A 246 -1.874 0.822 -5.284 1.00 15.00 O ATOM 228 CB ILE A 246 -0.890 -1.742 -6.823 1.00 15.00 C ATOM 229 CG1 ILE A 246 -0.177 -0.508 -7.391 1.00 15.00 C ATOM 230 CG2 ILE A 246 -1.088 -2.792 -7.908 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.020 -0.839 -8.259 1.00 15.00 C ATOM 0 H ILE A 246 -2.703 -0.143 -7.855 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.714 -2.269 -5.819 1.00 15.00 H new ATOM 0 HB ILE A 246 -0.260 -2.157 -6.036 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.889 0.074 -7.976 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.149 0.124 -6.565 1.00 15.00 H new ATOM 0 HG21 ILE A 246 -0.122 -3.058 -8.337 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -1.550 -3.680 -7.475 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.734 -2.391 -8.689 1.00 15.00 H new ATOM 0 HD11 ILE A 246 1.471 0.084 -8.624 1.00 15.00 H new ATOM 0 HD12 ILE A 246 1.752 -1.394 -7.673 1.00 15.00 H new ATOM 0 HD13 ILE A 246 0.699 -1.445 -9.106 1.00 15.00 H new ATOM 243 N TYR A 247 -2.156 -0.857 -3.829 1.00 15.00 N ATOM 244 CA TYR A 247 -2.074 0.004 -2.659 1.00 15.00 C ATOM 245 C TYR A 247 -1.045 -0.543 -1.658 1.00 15.00 C ATOM 246 O TYR A 247 -0.969 -1.755 -1.445 1.00 15.00 O ATOM 247 CB TYR A 247 -3.458 0.133 -1.996 1.00 15.00 C ATOM 248 CG TYR A 247 -4.068 -1.181 -1.534 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.610 -2.079 -2.446 1.00 15.00 C ATOM 250 CD2 TYR A 247 -4.103 -1.520 -0.183 1.00 15.00 C ATOM 251 CE1 TYR A 247 -5.164 -3.274 -2.029 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.656 -2.717 0.238 1.00 15.00 C ATOM 253 CZ TYR A 247 -5.182 -3.587 -0.688 1.00 15.00 C ATOM 254 OH TYR A 247 -5.730 -4.780 -0.270 1.00 15.00 O ATOM 0 H TYR A 247 -2.280 -1.847 -3.616 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.747 0.994 -2.977 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.374 0.800 -1.138 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -4.141 0.606 -2.702 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.598 -1.838 -3.499 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.692 -0.838 0.547 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.581 -3.960 -2.752 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.674 -2.966 1.289 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.662 -4.847 0.705 1.00 15.00 H new ATOM 264 N TYR A 248 -0.253 0.341 -1.053 1.00 15.00 N ATOM 265 CA TYR A 248 0.699 -0.048 -0.023 1.00 15.00 C ATOM 266 C TYR A 248 0.060 0.017 1.351 1.00 15.00 C ATOM 267 O TYR A 248 -0.433 1.069 1.769 1.00 15.00 O ATOM 268 CB TYR A 248 1.927 0.871 -0.033 1.00 15.00 C ATOM 269 CG TYR A 248 2.989 0.484 -1.028 1.00 15.00 C ATOM 270 CD1 TYR A 248 2.925 0.899 -2.353 1.00 15.00 C ATOM 271 CD2 TYR A 248 4.068 -0.294 -0.636 1.00 15.00 C ATOM 272 CE1 TYR A 248 3.907 0.539 -3.255 1.00 15.00 C ATOM 273 CE2 TYR A 248 5.045 -0.653 -1.534 1.00 15.00 C ATOM 274 CZ TYR A 248 4.961 -0.237 -2.841 1.00 15.00 C ATOM 275 OH TYR A 248 5.936 -0.603 -3.739 1.00 15.00 O ATOM 0 H TYR A 248 -0.255 1.339 -1.263 1.00 15.00 H new ATOM 0 HA TYR A 248 1.008 -1.071 -0.239 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.601 1.889 -0.246 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.367 0.879 0.964 1.00 15.00 H new ATOM 0 HD1 TYR A 248 2.097 1.510 -2.681 1.00 15.00 H new ATOM 0 HD2 TYR A 248 4.142 -0.623 0.390 1.00 15.00 H new ATOM 0 HE1 TYR A 248 3.846 0.867 -4.282 1.00 15.00 H new ATOM 0 HE2 TYR A 248 5.878 -1.261 -1.213 1.00 15.00 H new ATOM 0 HH TYR A 248 5.546 -0.673 -4.635 1.00 15.00 H new ATOM 285 N ILE A 249 0.069 -1.099 2.050 1.00 15.00 N ATOM 286 CA ILE A 249 -0.382 -1.129 3.425 1.00 15.00 C ATOM 287 C ILE A 249 0.812 -1.002 4.362 1.00 15.00 C ATOM 288 O ILE A 249 1.672 -1.884 4.413 1.00 15.00 O ATOM 289 CB ILE A 249 -1.176 -2.416 3.743 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.454 -3.655 3.197 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.582 -2.316 3.176 1.00 15.00 C ATOM 292 CD1 ILE A 249 -1.167 -4.959 3.491 1.00 15.00 C ATOM 0 H ILE A 249 0.384 -1.999 1.687 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.056 -0.285 3.574 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.244 -2.522 4.826 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.338 -3.550 2.118 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.549 -3.696 3.622 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.133 -3.228 3.406 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.093 -1.462 3.620 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.530 -2.186 2.095 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -0.596 -5.788 3.074 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -1.259 -5.088 4.569 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -2.160 -4.940 3.042 1.00 15.00 H new ATOM 304 N ASN A 250 0.872 0.100 5.099 1.00 15.00 N ATOM 305 CA ASN A 250 1.992 0.343 5.995 1.00 15.00 C ATOM 306 C ASN A 250 1.667 -0.258 7.368 1.00 15.00 C ATOM 307 O ASN A 250 0.819 0.282 8.082 1.00 15.00 O ATOM 308 CB ASN A 250 2.276 1.846 6.128 1.00 15.00 C ATOM 309 CG ASN A 250 3.487 2.159 6.999 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.831 1.416 7.917 1.00 15.00 O ATOM 311 ND2 ASN A 250 4.134 3.279 6.724 1.00 15.00 N ATOM 0 H ASN A 250 0.163 0.834 5.094 1.00 15.00 H new ATOM 0 HA ASN A 250 2.885 -0.128 5.585 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.433 2.268 5.135 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.399 2.338 6.548 1.00 15.00 H new ATOM 0 HD21 ASN A 250 4.945 3.549 7.281 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.822 3.873 5.955 1.00 15.00 H new ATOM 318 N HIS A 251 2.323 -1.373 7.738 1.00 15.00 N ATOM 319 CA HIS A 251 1.968 -2.114 8.934 1.00 15.00 C ATOM 320 C HIS A 251 2.508 -1.438 10.187 1.00 15.00 C ATOM 321 O HIS A 251 1.981 -1.636 11.280 1.00 15.00 O ATOM 322 CB HIS A 251 2.502 -3.551 8.846 1.00 15.00 C ATOM 323 CG HIS A 251 1.855 -4.391 7.778 1.00 15.00 C ATOM 324 ND1 HIS A 251 2.427 -4.639 6.543 1.00 15.00 N ATOM 325 CD2 HIS A 251 0.682 -5.070 7.780 1.00 15.00 C ATOM 326 CE1 HIS A 251 1.637 -5.423 5.844 1.00 15.00 C ATOM 327 NE2 HIS A 251 0.570 -5.707 6.568 1.00 15.00 N ATOM 0 H HIS A 251 3.103 -1.771 7.215 1.00 15.00 H new ATOM 0 HA HIS A 251 0.880 -2.136 9.001 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.576 -3.516 8.662 1.00 15.00 H new ATOM 0 HB3 HIS A 251 2.359 -4.038 9.810 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -0.034 -5.104 8.588 1.00 15.00 H new ATOM 0 HE1 HIS A 251 1.829 -5.777 4.842 1.00 15.00 H new ATOM 0 HE2 HIS A 251 -0.207 -6.300 6.276 1.00 15.00 H new ATOM 336 N LYS A 252 3.565 -0.652 10.024 1.00 15.00 N ATOM 337 CA LYS A 252 4.209 -0.004 11.163 1.00 15.00 C ATOM 338 C LYS A 252 3.593 1.356 11.485 1.00 15.00 C ATOM 339 O LYS A 252 3.673 1.824 12.619 1.00 15.00 O ATOM 340 CB LYS A 252 5.711 0.155 10.917 1.00 15.00 C ATOM 341 CG LYS A 252 6.463 -1.167 10.862 1.00 15.00 C ATOM 342 CD LYS A 252 6.301 -1.949 12.157 1.00 15.00 C ATOM 343 CE LYS A 252 7.158 -3.207 12.168 1.00 15.00 C ATOM 344 NZ LYS A 252 8.609 -2.889 12.129 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.993 -0.448 9.121 1.00 15.00 H new ATOM 0 HA LYS A 252 4.047 -0.653 12.024 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.862 0.689 9.979 1.00 15.00 H new ATOM 0 HB3 LYS A 252 6.137 0.773 11.708 1.00 15.00 H new ATOM 0 HG2 LYS A 252 6.095 -1.763 10.026 1.00 15.00 H new ATOM 0 HG3 LYS A 252 7.521 -0.979 10.678 1.00 15.00 H new ATOM 0 HD2 LYS A 252 6.574 -1.316 13.001 1.00 15.00 H new ATOM 0 HD3 LYS A 252 5.254 -2.221 12.289 1.00 15.00 H new ATOM 0 HE2 LYS A 252 6.938 -3.789 13.063 1.00 15.00 H new ATOM 0 HE3 LYS A 252 6.900 -3.830 11.312 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 9.156 -3.729 12.407 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 8.876 -2.605 11.165 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 8.812 -2.110 12.788 1.00 15.00 H new ATOM 358 N ASN A 253 3.007 2.009 10.491 1.00 15.00 N ATOM 359 CA ASN A 253 2.408 3.322 10.707 1.00 15.00 C ATOM 360 C ASN A 253 0.895 3.266 10.573 1.00 15.00 C ATOM 361 O ASN A 253 0.211 4.252 10.857 1.00 15.00 O ATOM 362 CB ASN A 253 2.977 4.352 9.728 1.00 15.00 C ATOM 363 CG ASN A 253 4.466 4.588 9.908 1.00 15.00 C ATOM 364 OD1 ASN A 253 5.176 4.885 8.949 1.00 15.00 O ATOM 365 ND2 ASN A 253 4.948 4.468 11.137 1.00 15.00 N ATOM 0 H ASN A 253 2.933 1.657 9.536 1.00 15.00 H new ATOM 0 HA ASN A 253 2.655 3.628 11.723 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.789 4.017 8.708 1.00 15.00 H new ATOM 0 HB3 ASN A 253 2.448 5.296 9.856 1.00 15.00 H new ATOM 0 HD21 ASN A 253 5.941 4.624 11.313 1.00 15.00 H new ATOM 0 HD22 ASN A 253 4.326 4.220 11.907 1.00 15.00 H new ATOM 372 N LYS A 254 0.384 2.114 10.130 1.00 15.00 N ATOM 373 CA LYS A 254 -1.058 1.905 9.961 1.00 15.00 C ATOM 374 C LYS A 254 -1.604 2.836 8.875 1.00 15.00 C ATOM 375 O LYS A 254 -2.781 3.199 8.869 1.00 15.00 O ATOM 376 CB LYS A 254 -1.782 2.142 11.297 1.00 15.00 C ATOM 377 CG LYS A 254 -3.220 1.647 11.328 1.00 15.00 C ATOM 378 CD LYS A 254 -3.874 1.916 12.666 1.00 15.00 C ATOM 379 CE LYS A 254 -5.340 1.515 12.659 1.00 15.00 C ATOM 380 NZ LYS A 254 -6.012 1.849 13.941 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.953 1.305 9.880 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.235 0.876 9.649 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.223 1.648 12.092 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -1.773 3.210 11.517 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -3.791 2.136 10.539 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.242 0.577 11.121 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -3.349 1.365 13.446 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -3.786 2.975 12.909 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -5.851 2.020 11.839 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -5.422 0.444 12.474 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -7.010 1.560 13.896 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -5.541 1.347 14.721 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -5.956 2.874 14.105 1.00 15.00 H new ATOM 394 N THR A 255 -0.760 3.162 7.913 1.00 15.00 N ATOM 395 CA THR A 255 -1.105 4.170 6.918 1.00 15.00 C ATOM 396 C THR A 255 -1.266 3.564 5.523 1.00 15.00 C ATOM 397 O THR A 255 -0.650 2.542 5.209 1.00 15.00 O ATOM 398 CB THR A 255 -0.067 5.308 6.878 1.00 15.00 C ATOM 399 OG1 THR A 255 1.260 4.770 6.891 1.00 15.00 O ATOM 400 CG2 THR A 255 -0.248 6.253 8.058 1.00 15.00 C ATOM 0 H THR A 255 0.165 2.748 7.797 1.00 15.00 H new ATOM 0 HA THR A 255 -2.065 4.586 7.223 1.00 15.00 H new ATOM 0 HB THR A 255 -0.220 5.870 5.956 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.910 5.503 6.864 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.497 7.047 8.006 1.00 15.00 H new ATOM 0 HG22 THR A 255 -1.246 6.689 8.025 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.124 5.700 8.989 1.00 15.00 H new ATOM 408 N THR A 256 -2.123 4.168 4.700 1.00 15.00 N ATOM 409 CA THR A 256 -2.376 3.666 3.361 1.00 15.00 C ATOM 410 C THR A 256 -1.877 4.660 2.311 1.00 15.00 C ATOM 411 O THR A 256 -2.315 5.812 2.275 1.00 15.00 O ATOM 412 CB THR A 256 -3.881 3.419 3.146 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.482 3.025 4.387 1.00 15.00 O ATOM 414 CG2 THR A 256 -4.102 2.329 2.110 1.00 15.00 C ATOM 0 H THR A 256 -2.651 5.006 4.943 1.00 15.00 H new ATOM 0 HA THR A 256 -1.838 2.724 3.253 1.00 15.00 H new ATOM 0 HB THR A 256 -4.339 4.341 2.787 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.440 2.869 4.252 1.00 15.00 H new ATOM 0 HG21 THR A 256 -5.171 2.169 1.972 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.655 2.631 1.163 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.638 1.404 2.451 1.00 15.00 H new ATOM 422 N SER A 257 -0.947 4.219 1.478 1.00 15.00 N ATOM 423 CA SER A 257 -0.403 5.053 0.412 1.00 15.00 C ATOM 424 C SER A 257 -0.328 4.235 -0.872 1.00 15.00 C ATOM 425 O SER A 257 0.092 3.093 -0.839 1.00 15.00 O ATOM 426 CB SER A 257 0.985 5.558 0.807 1.00 15.00 C ATOM 427 OG SER A 257 0.942 6.215 2.066 1.00 15.00 O ATOM 0 H SER A 257 -0.549 3.281 1.519 1.00 15.00 H new ATOM 0 HA SER A 257 -1.050 5.915 0.249 1.00 15.00 H new ATOM 0 HB2 SER A 257 1.682 4.722 0.852 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.358 6.244 0.046 1.00 15.00 H new ATOM 0 HG SER A 257 1.855 6.402 2.369 1.00 15.00 H new ATOM 433 N TRP A 258 -0.723 4.825 -1.991 1.00 15.00 N ATOM 434 CA TRP A 258 -0.861 4.089 -3.251 1.00 15.00 C ATOM 435 C TRP A 258 0.452 3.465 -3.738 1.00 15.00 C ATOM 436 O TRP A 258 0.585 2.243 -3.802 1.00 15.00 O ATOM 437 CB TRP A 258 -1.406 5.011 -4.348 1.00 15.00 C ATOM 438 CG TRP A 258 -2.880 5.278 -4.257 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.489 6.474 -4.010 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.929 4.319 -4.428 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.856 6.319 -4.030 1.00 15.00 N ATOM 442 CE2 TRP A 258 -5.150 5.004 -4.285 1.00 15.00 C ATOM 443 CE3 TRP A 258 -3.952 2.949 -4.693 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.380 4.360 -4.404 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -5.171 2.313 -4.805 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.371 3.018 -4.662 1.00 15.00 C ATOM 0 H TRP A 258 -0.956 5.816 -2.057 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.557 3.275 -3.048 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.874 5.961 -4.305 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -1.189 4.568 -5.320 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -2.974 7.405 -3.826 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.539 7.061 -3.880 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -3.031 2.396 -4.808 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.308 4.902 -4.296 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -5.200 1.252 -5.007 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -7.309 2.491 -4.757 1.00 15.00 H new ATOM 457 N LEU A 259 1.413 4.312 -4.070 1.00 15.00 N ATOM 458 CA LEU A 259 2.577 3.901 -4.847 1.00 15.00 C ATOM 459 C LEU A 259 3.912 4.110 -4.141 1.00 15.00 C ATOM 460 O LEU A 259 4.032 4.891 -3.193 1.00 15.00 O ATOM 461 CB LEU A 259 2.583 4.518 -6.241 1.00 15.00 C ATOM 462 CG LEU A 259 1.859 3.668 -7.288 1.00 15.00 C ATOM 463 CD1 LEU A 259 2.061 4.240 -8.681 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.342 2.218 -7.221 1.00 15.00 C ATOM 0 H LEU A 259 1.411 5.299 -3.812 1.00 15.00 H new ATOM 0 HA LEU A 259 2.470 2.822 -4.954 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.115 5.502 -6.196 1.00 15.00 H new ATOM 0 HB3 LEU A 259 3.615 4.670 -6.558 1.00 15.00 H new ATOM 0 HG LEU A 259 0.791 3.687 -7.069 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.538 3.620 -9.408 1.00 15.00 H new ATOM 0 HD12 LEU A 259 1.666 5.255 -8.718 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.125 4.256 -8.917 1.00 15.00 H new ATOM 0 HD21 LEU A 259 1.819 1.625 -7.971 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.414 2.182 -7.414 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.138 1.812 -6.230 1.00 15.00 H new ATOM 476 N ASP A 260 4.910 3.396 -4.662 1.00 15.00 N ATOM 477 CA ASP A 260 6.205 3.180 -4.021 1.00 15.00 C ATOM 478 C ASP A 260 6.933 4.494 -3.732 1.00 15.00 C ATOM 479 O ASP A 260 7.191 5.303 -4.627 1.00 15.00 O ATOM 480 CB ASP A 260 7.041 2.318 -4.984 1.00 15.00 C ATOM 481 CG ASP A 260 8.512 2.214 -4.626 1.00 15.00 C ATOM 482 OD1 ASP A 260 9.216 3.242 -4.651 1.00 15.00 O ATOM 483 OD2 ASP A 260 8.978 1.090 -4.365 1.00 15.00 O1- ATOM 0 H ASP A 260 4.836 2.938 -5.570 1.00 15.00 H new ATOM 0 HA ASP A 260 6.059 2.689 -3.059 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.616 1.315 -5.014 1.00 15.00 H new ATOM 0 HB3 ASP A 260 6.954 2.731 -5.989 1.00 15.00 H new ATOM 488 N PRO A 261 7.242 4.712 -2.441 1.00 15.00 N ATOM 489 CA PRO A 261 7.885 5.929 -1.949 1.00 15.00 C ATOM 490 C PRO A 261 9.398 5.964 -2.156 1.00 15.00 C ATOM 491 O PRO A 261 10.026 7.006 -1.967 1.00 15.00 O ATOM 492 CB PRO A 261 7.552 5.909 -0.460 1.00 15.00 C ATOM 493 CG PRO A 261 7.469 4.462 -0.108 1.00 15.00 C ATOM 494 CD PRO A 261 6.987 3.753 -1.348 1.00 15.00 C ATOM 0 HA PRO A 261 7.530 6.808 -2.487 1.00 15.00 H new ATOM 0 HB2 PRO A 261 8.321 6.415 0.124 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.611 6.420 -0.258 1.00 15.00 H new ATOM 0 HG2 PRO A 261 8.441 4.081 0.205 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.782 4.303 0.723 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.525 2.818 -1.506 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.928 3.503 -1.277 1.00 15.00 H new ATOM 502 N ARG A 262 9.992 4.837 -2.531 1.00 15.00 N ATOM 503 CA ARG A 262 11.446 4.754 -2.600 1.00 15.00 C ATOM 504 C ARG A 262 11.951 5.385 -3.895 1.00 15.00 C ATOM 505 O ARG A 262 13.151 5.576 -4.082 1.00 15.00 O ATOM 506 CB ARG A 262 11.941 3.299 -2.428 1.00 15.00 C ATOM 507 CG ARG A 262 11.819 2.387 -3.649 1.00 15.00 C ATOM 508 CD ARG A 262 12.929 2.612 -4.668 1.00 15.00 C ATOM 509 NE ARG A 262 14.259 2.543 -4.064 1.00 15.00 N ATOM 510 CZ ARG A 262 15.339 3.132 -4.576 1.00 15.00 C ATOM 511 NH1 ARG A 262 15.244 3.836 -5.695 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 16.507 3.021 -3.958 1.00 15.00 N ATOM 0 H ARG A 262 9.499 3.982 -2.788 1.00 15.00 H new ATOM 0 HA ARG A 262 11.864 5.321 -1.768 1.00 15.00 H new ATOM 0 HB2 ARG A 262 12.988 3.328 -2.128 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.387 2.845 -1.607 1.00 15.00 H new ATOM 0 HG2 ARG A 262 11.837 1.347 -3.323 1.00 15.00 H new ATOM 0 HG3 ARG A 262 10.854 2.555 -4.127 1.00 15.00 H new ATOM 0 HD2 ARG A 262 12.852 1.864 -5.457 1.00 15.00 H new ATOM 0 HD3 ARG A 262 12.796 3.586 -5.138 1.00 15.00 H new ATOM 0 HE ARG A 262 14.366 2.013 -3.199 1.00 15.00 H new ATOM 0 HH11 ARG A 262 14.343 3.927 -6.165 1.00 15.00 H new ATOM 0 HH12 ARG A 262 16.071 4.286 -6.086 1.00 15.00 H new ATOM 0 HH21 ARG A 262 16.577 2.486 -3.093 1.00 15.00 H new ATOM 0 HH22 ARG A 262 17.335 3.471 -4.348 1.00 15.00 H new ATOM 526 N LEU A 263 11.027 5.695 -4.791 1.00 15.00 N ATOM 527 CA LEU A 263 11.366 6.374 -6.030 1.00 15.00 C ATOM 528 C LEU A 263 11.623 7.859 -5.783 1.00 15.00 C ATOM 529 O LEU A 263 12.125 8.562 -6.664 1.00 15.00 O ATOM 530 CB LEU A 263 10.240 6.207 -7.053 1.00 15.00 C ATOM 531 CG LEU A 263 9.893 4.762 -7.415 1.00 15.00 C ATOM 532 CD1 LEU A 263 8.753 4.726 -8.421 1.00 15.00 C ATOM 533 CD2 LEU A 263 11.115 4.043 -7.966 1.00 15.00 C ATOM 0 H LEU A 263 10.035 5.486 -4.682 1.00 15.00 H new ATOM 0 HA LEU A 263 12.277 5.923 -6.424 1.00 15.00 H new ATOM 0 HB2 LEU A 263 9.344 6.692 -6.665 1.00 15.00 H new ATOM 0 HB3 LEU A 263 10.519 6.735 -7.965 1.00 15.00 H new ATOM 0 HG LEU A 263 9.570 4.247 -6.510 1.00 15.00 H new ATOM 0 HD11 LEU A 263 8.518 3.691 -8.668 1.00 15.00 H new ATOM 0 HD12 LEU A 263 7.873 5.205 -7.991 1.00 15.00 H new ATOM 0 HD13 LEU A 263 9.049 5.257 -9.326 1.00 15.00 H new ATOM 0 HD21 LEU A 263 10.850 3.016 -8.218 1.00 15.00 H new ATOM 0 HD22 LEU A 263 11.467 4.557 -8.860 1.00 15.00 H new ATOM 0 HD23 LEU A 263 11.905 4.040 -7.215 1.00 15.00 H new ATOM 545 N ASP A 264 11.258 8.332 -4.591 1.00 15.00 N ATOM 546 CA ASP A 264 11.424 9.744 -4.239 1.00 15.00 C ATOM 547 C ASP A 264 12.894 10.195 -4.254 1.00 15.00 C ATOM 548 O ASP A 264 13.216 11.216 -4.867 1.00 15.00 O ATOM 549 CB ASP A 264 10.779 10.041 -2.877 1.00 15.00 C ATOM 550 CG ASP A 264 11.006 11.468 -2.411 1.00 15.00 C ATOM 551 OD1 ASP A 264 12.041 11.729 -1.758 1.00 15.00 O1- ATOM 552 OD2 ASP A 264 10.143 12.329 -2.676 1.00 15.00 O ATOM 0 H ASP A 264 10.846 7.760 -3.854 1.00 15.00 H new ATOM 0 HA ASP A 264 10.913 10.322 -5.009 1.00 15.00 H new ATOM 0 HB2 ASP A 264 9.707 9.851 -2.940 1.00 15.00 H new ATOM 0 HB3 ASP A 264 11.181 9.353 -2.133 1.00 15.00 H new ATOM 557 N PRO A 265 13.800 9.463 -3.584 1.00 15.00 N ATOM 558 CA PRO A 265 15.241 9.720 -3.660 1.00 15.00 C ATOM 559 C PRO A 265 15.805 9.384 -5.037 1.00 15.00 C ATOM 560 O PRO A 265 16.070 8.195 -5.303 1.00 15.00 O ATOM 561 CB PRO A 265 15.833 8.791 -2.595 1.00 15.00 C ATOM 562 CG PRO A 265 14.822 7.709 -2.435 1.00 15.00 C ATOM 563 CD PRO A 265 13.492 8.366 -2.664 1.00 15.00 C ATOM 564 OXT PRO A 265 15.978 10.308 -5.856 1.00 15.00 O ATOM 0 HA PRO A 265 15.479 10.771 -3.497 1.00 15.00 H new ATOM 0 HB2 PRO A 265 16.796 8.390 -2.910 1.00 15.00 H new ATOM 0 HB3 PRO A 265 16.000 9.320 -1.656 1.00 15.00 H new ATOM 0 HG2 PRO A 265 14.991 6.905 -3.151 1.00 15.00 H new ATOM 0 HG3 PRO A 265 14.875 7.266 -1.440 1.00 15.00 H new ATOM 0 HD2 PRO A 265 12.772 7.672 -3.096 1.00 15.00 H new ATOM 0 HD3 PRO A 265 13.061 8.734 -1.733 1.00 15.00 H new ATOM 573 N SER B 206 -7.858 10.491 -5.046 1.00 15.00 N ATOM 574 CA SER B 206 -8.548 9.206 -4.825 1.00 15.00 C ATOM 575 C SER B 206 -8.055 8.559 -3.534 1.00 15.00 C ATOM 576 O SER B 206 -6.864 8.268 -3.393 1.00 15.00 O ATOM 577 CB SER B 206 -8.295 8.279 -6.015 1.00 15.00 C ATOM 578 OG SER B 206 -8.640 8.917 -7.235 1.00 15.00 O ATOM 0 HA SER B 206 -9.619 9.384 -4.733 1.00 15.00 H new ATOM 0 HB2 SER B 206 -7.245 7.987 -6.037 1.00 15.00 H new ATOM 0 HB3 SER B 206 -8.878 7.365 -5.900 1.00 15.00 H new ATOM 0 HG SER B 206 -8.521 9.885 -7.143 1.00 15.00 H new ATOM 586 N PRO B 207 -8.960 8.330 -2.573 1.00 15.00 N ATOM 587 CA PRO B 207 -8.616 7.731 -1.284 1.00 15.00 C ATOM 588 C PRO B 207 -8.347 6.235 -1.404 1.00 15.00 C ATOM 589 O PRO B 207 -9.149 5.500 -1.981 1.00 15.00 O ATOM 590 CB PRO B 207 -9.861 7.977 -0.417 1.00 15.00 C ATOM 591 CG PRO B 207 -10.751 8.873 -1.219 1.00 15.00 C ATOM 592 CD PRO B 207 -10.391 8.641 -2.655 1.00 15.00 C ATOM 0 HA PRO B 207 -7.705 8.162 -0.869 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -10.363 7.039 -0.180 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.591 8.442 0.531 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.801 8.642 -1.038 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.602 9.917 -0.944 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.961 7.820 -3.089 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.581 9.521 -3.269 1.00 15.00 H new ATOM 600 N PRO B 208 -7.214 5.765 -0.866 1.00 15.00 N ATOM 601 CA PRO B 208 -6.869 4.345 -0.872 1.00 15.00 C ATOM 602 C PRO B 208 -7.711 3.572 0.134 1.00 15.00 C ATOM 603 O PRO B 208 -7.947 4.049 1.246 1.00 15.00 O ATOM 604 CB PRO B 208 -5.385 4.327 -0.463 1.00 15.00 C ATOM 605 CG PRO B 208 -4.945 5.754 -0.493 1.00 15.00 C ATOM 606 CD PRO B 208 -6.174 6.559 -0.204 1.00 15.00 C ATOM 0 HA PRO B 208 -7.051 3.875 -1.839 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.257 3.898 0.531 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.796 3.720 -1.151 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -4.170 5.941 0.250 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -4.525 6.015 -1.464 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -6.355 6.659 0.866 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -6.108 7.568 -0.612 1.00 15.00 H new ATOM 614 N PRO B 209 -8.182 2.374 -0.250 1.00 15.00 N ATOM 615 CA PRO B 209 -8.966 1.499 0.624 1.00 15.00 C ATOM 616 C PRO B 209 -8.309 1.323 1.989 1.00 15.00 C ATOM 617 O PRO B 209 -7.097 1.120 2.077 1.00 15.00 O ATOM 618 CB PRO B 209 -9.000 0.161 -0.132 1.00 15.00 C ATOM 619 CG PRO B 209 -8.042 0.314 -1.266 1.00 15.00 C ATOM 620 CD PRO B 209 -8.008 1.778 -1.574 1.00 15.00 C ATOM 0 HA PRO B 209 -9.956 1.906 0.827 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.709 -0.664 0.518 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -10.004 -0.059 -0.495 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -7.052 -0.052 -0.994 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -8.367 -0.261 -2.133 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -7.066 2.076 -2.034 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -8.804 2.069 -2.260 1.00 15.00 H new ATOM 628 N PRO B 210 -9.115 1.391 3.062 1.00 15.00 N ATOM 629 CA PRO B 210 -8.622 1.354 4.444 1.00 15.00 C ATOM 630 C PRO B 210 -7.641 0.216 4.700 1.00 15.00 C ATOM 631 O PRO B 210 -7.909 -0.940 4.372 1.00 15.00 O ATOM 632 CB PRO B 210 -9.895 1.153 5.266 1.00 15.00 C ATOM 633 CG PRO B 210 -10.973 1.757 4.442 1.00 15.00 C ATOM 634 CD PRO B 210 -10.585 1.507 3.010 1.00 15.00 C ATOM 0 HA PRO B 210 -8.066 2.258 4.694 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.084 0.096 5.452 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -9.820 1.639 6.239 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.939 1.305 4.670 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.065 2.825 4.641 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -11.045 0.598 2.623 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.900 2.324 2.361 1.00 15.00 H new ATOM 642 N TYR B 211 -6.516 0.569 5.315 1.00 15.00 N ATOM 643 CA TYR B 211 -5.465 -0.383 5.665 1.00 15.00 C ATOM 644 C TYR B 211 -5.986 -1.467 6.617 1.00 15.00 C ATOM 645 O TYR B 211 -5.346 -2.502 6.815 1.00 15.00 O ATOM 646 CB TYR B 211 -4.288 0.394 6.290 1.00 15.00 C ATOM 647 CG TYR B 211 -3.424 -0.396 7.253 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.455 -1.281 6.798 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.585 -0.247 8.623 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.672 -1.997 7.688 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.808 -0.956 9.515 1.00 15.00 C ATOM 652 CZ TYR B 211 -1.855 -1.828 9.046 1.00 15.00 C ATOM 653 OH TYR B 211 -1.082 -2.532 9.937 1.00 15.00 O ATOM 0 H TYR B 211 -6.306 1.530 5.586 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.126 -0.897 4.765 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.655 0.770 5.486 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.686 1.262 6.815 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.310 -1.413 5.736 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -4.332 0.437 8.998 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -0.923 -2.683 7.322 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.948 -0.826 10.578 1.00 15.00 H new ATOM 0 HH TYR B 211 -1.339 -2.294 10.852 1.00 15.00 H new ATOM 663 N SER B 212 -7.156 -1.225 7.193 1.00 15.00 N ATOM 664 CA SER B 212 -7.748 -2.134 8.156 1.00 15.00 C ATOM 665 C SER B 212 -7.990 -3.521 7.555 1.00 15.00 C ATOM 666 O SER B 212 -7.764 -4.539 8.215 1.00 15.00 O ATOM 667 CB SER B 212 -9.054 -1.541 8.681 1.00 15.00 C ATOM 668 OG SER B 212 -8.889 -0.165 8.994 1.00 15.00 O ATOM 0 H SER B 212 -7.717 -0.395 7.004 1.00 15.00 H new ATOM 0 HA SER B 212 -7.047 -2.260 8.981 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.839 -1.658 7.934 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.376 -2.085 9.569 1.00 15.00 H new ATOM 0 HG SER B 212 -9.736 0.199 9.327 1.00 15.00 H new ATOM 674 N ARG B 213 -8.476 -3.571 6.316 1.00 15.00 N ATOM 675 CA ARG B 213 -8.711 -4.852 5.664 1.00 15.00 C ATOM 676 C ARG B 213 -8.552 -4.748 4.151 1.00 15.00 C ATOM 677 O ARG B 213 -8.571 -3.657 3.590 1.00 15.00 O ATOM 678 CB ARG B 213 -10.085 -5.410 5.999 1.00 15.00 C ATOM 679 CG ARG B 213 -10.116 -6.924 5.911 1.00 15.00 C ATOM 680 CD ARG B 213 -9.765 -7.570 7.240 1.00 15.00 C ATOM 681 NE ARG B 213 -10.674 -7.159 8.309 1.00 15.00 N ATOM 682 CZ ARG B 213 -11.546 -7.976 8.899 1.00 15.00 C ATOM 683 NH1 ARG B 213 -11.708 -9.218 8.459 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -12.287 -7.541 9.907 1.00 15.00 N ATOM 0 H ARG B 213 -8.710 -2.753 5.754 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.956 -5.539 6.047 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.368 -5.099 7.004 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -10.824 -4.991 5.316 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -11.108 -7.250 5.598 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.415 -7.259 5.147 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.797 -8.654 7.135 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.743 -7.306 7.512 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.639 -6.189 8.622 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -11.163 -9.553 7.664 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -12.377 -9.838 8.916 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -12.191 -6.579 10.233 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -12.954 -8.168 10.357 1.00 15.00 H new ATOM 698 N TYR B 214 -8.439 -5.903 3.495 1.00 15.00 N ATOM 699 CA TYR B 214 -8.133 -5.957 2.068 1.00 15.00 C ATOM 700 C TYR B 214 -9.412 -5.989 1.244 1.00 15.00 C ATOM 701 O TYR B 214 -10.218 -6.917 1.368 1.00 15.00 O ATOM 702 CB TYR B 214 -7.286 -7.196 1.728 1.00 15.00 C ATOM 703 CG TYR B 214 -6.091 -7.420 2.636 1.00 15.00 C ATOM 704 CD1 TYR B 214 -5.770 -6.521 3.638 1.00 15.00 C ATOM 705 CD2 TYR B 214 -5.301 -8.553 2.503 1.00 15.00 C ATOM 706 CE1 TYR B 214 -4.711 -6.731 4.480 1.00 15.00 C ATOM 707 CE2 TYR B 214 -4.226 -8.772 3.342 1.00 15.00 C ATOM 708 CZ TYR B 214 -3.935 -7.858 4.330 1.00 15.00 C ATOM 709 OH TYR B 214 -2.873 -8.078 5.175 1.00 15.00 O ATOM 0 H TYR B 214 -8.556 -6.817 3.933 1.00 15.00 H new ATOM 0 HA TYR B 214 -7.565 -5.059 1.824 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -7.925 -8.078 1.769 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.932 -7.106 0.701 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.370 -5.631 3.759 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -5.530 -9.274 1.732 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -4.486 -6.016 5.258 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -3.617 -9.656 3.224 1.00 15.00 H new ATOM 0 HH TYR B 214 -2.431 -8.919 4.933 1.00 15.00 H new ATOM 719 N PRO B 215 -9.613 -4.974 0.398 1.00 15.00 N ATOM 720 CA PRO B 215 -10.773 -4.893 -0.492 1.00 15.00 C ATOM 721 C PRO B 215 -10.735 -5.950 -1.594 1.00 15.00 C ATOM 722 O PRO B 215 -9.695 -6.190 -2.212 1.00 15.00 O ATOM 723 CB PRO B 215 -10.653 -3.489 -1.095 1.00 15.00 C ATOM 724 CG PRO B 215 -9.201 -3.177 -1.024 1.00 15.00 C ATOM 725 CD PRO B 215 -8.717 -3.816 0.241 1.00 15.00 C ATOM 0 HA PRO B 215 -11.709 -5.069 0.038 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -11.014 -3.466 -2.123 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -11.243 -2.764 -0.534 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -8.672 -3.572 -1.891 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -9.031 -2.100 -1.010 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.674 -4.122 0.164 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.788 -3.135 1.089 1.00 15.00 H new