USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 316 hydrogens (8 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 NoAdj-H: B 210 SEP H2 : B 210 SEP N : B 209 SER C :(H bumps) USER MOD NoAdj-H: B 210 SEP H : B 210 SEP N : B 209 SER C :(H bumps) USER MOD NoAdj-H: B 214 SEP H2 : B 214 SEP N : B 213 GLY C :(H bumps) USER MOD Set 1.1: A 254 HIS : no HD1:sc= -4.67! K(o=-4.7!,f=-2) USER MOD Set 1.2: A 256 GLN : amide:sc= 0 K(o=-4.7,f=-2.8) USER MOD Set 2.1: A 242 GLN : amide:sc= 0.503 K(o=1.1,f=-0.76) USER MOD Set 2.2: A 244 THR OG1 : rot 180:sc= 0.6 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot -152:sc= 1.51 USER MOD Single : A 247 GLN : amide:sc= -1.35 K(o=-1.4,f=-6.4!) USER MOD Single : A 249 GLN : amide:sc= -3.36! K(o=-3.4!,f=-0.75) USER MOD Single : A 251 TYR OH : rot 54:sc= 2.23 USER MOD Single : A 255 THR OG1 : rot 53:sc= 0.0322 USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 46:sc= 0.0621 USER MOD Single : A 261 THR OG1 : rot 180:sc= 0 USER MOD Single : A 263 HIS : no HE2:sc= -0.0176 K(o=-0.018,f=-3.5!) USER MOD Single : B 208 THR OG1 : rot 34:sc= 0.407 USER MOD Single : B 209 SER OG : rot 28:sc= 1.19 USER MOD Single : B 217 GLN : amide:sc= -0.813 K(o=-0.81,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 10.990 7.518 3.525 1.00 15.00 N ATOM 2 CA GLU A 235 11.512 6.578 2.510 1.00 15.00 C ATOM 3 C GLU A 235 11.001 5.170 2.788 1.00 15.00 C ATOM 4 O GLU A 235 10.685 4.831 3.930 1.00 15.00 O ATOM 5 CB GLU A 235 13.051 6.581 2.505 1.00 15.00 C ATOM 6 CG GLU A 235 13.694 5.889 3.702 1.00 15.00 C ATOM 7 CD GLU A 235 13.583 6.682 4.984 1.00 15.00 C ATOM 8 OE1 GLU A 235 14.602 7.245 5.428 1.00 15.00 O ATOM 9 OE2 GLU A 235 12.478 6.741 5.558 1.00 15.00 O1- ATOM 0 HA GLU A 235 11.160 6.902 1.531 1.00 15.00 H new ATOM 0 HB2 GLU A 235 13.399 6.096 1.593 1.00 15.00 H new ATOM 0 HB3 GLU A 235 13.399 7.614 2.470 1.00 15.00 H new ATOM 0 HG2 GLU A 235 13.226 4.915 3.844 1.00 15.00 H new ATOM 0 HG3 GLU A 235 14.747 5.708 3.485 1.00 15.00 H new ATOM 16 N LEU A 236 10.925 4.350 1.750 1.00 15.00 N ATOM 17 CA LEU A 236 10.490 2.969 1.903 1.00 15.00 C ATOM 18 C LEU A 236 11.598 2.034 1.460 1.00 15.00 C ATOM 19 O LEU A 236 12.537 2.447 0.777 1.00 15.00 O ATOM 20 CB LEU A 236 9.236 2.648 1.056 1.00 15.00 C ATOM 21 CG LEU A 236 8.022 3.574 1.211 1.00 15.00 C ATOM 22 CD1 LEU A 236 7.679 3.765 2.674 1.00 15.00 C ATOM 23 CD2 LEU A 236 8.252 4.914 0.527 1.00 15.00 C ATOM 0 H LEU A 236 11.159 4.616 0.794 1.00 15.00 H new ATOM 0 HA LEU A 236 10.246 2.831 2.956 1.00 15.00 H new ATOM 0 HB2 LEU A 236 9.529 2.650 0.006 1.00 15.00 H new ATOM 0 HB3 LEU A 236 8.918 1.633 1.296 1.00 15.00 H new ATOM 0 HG LEU A 236 7.175 3.097 0.719 1.00 15.00 H new ATOM 0 HD11 LEU A 236 6.816 4.425 2.762 1.00 15.00 H new ATOM 0 HD12 LEU A 236 7.445 2.799 3.122 1.00 15.00 H new ATOM 0 HD13 LEU A 236 8.529 4.209 3.192 1.00 15.00 H new ATOM 0 HD21 LEU A 236 7.372 5.544 0.657 1.00 15.00 H new ATOM 0 HD22 LEU A 236 9.119 5.405 0.970 1.00 15.00 H new ATOM 0 HD23 LEU A 236 8.430 4.754 -0.536 1.00 15.00 H new ATOM 35 N PRO A 237 11.505 0.760 1.843 1.00 15.00 N ATOM 36 CA PRO A 237 12.281 -0.292 1.200 1.00 15.00 C ATOM 37 C PRO A 237 11.753 -0.504 -0.209 1.00 15.00 C ATOM 38 O PRO A 237 10.573 -0.281 -0.472 1.00 15.00 O ATOM 39 CB PRO A 237 12.024 -1.530 2.076 1.00 15.00 C ATOM 40 CG PRO A 237 11.396 -1.013 3.330 1.00 15.00 C ATOM 41 CD PRO A 237 10.687 0.253 2.951 1.00 15.00 C ATOM 0 HA PRO A 237 13.344 -0.066 1.115 1.00 15.00 H new ATOM 0 HB2 PRO A 237 11.366 -2.237 1.571 1.00 15.00 H new ATOM 0 HB3 PRO A 237 12.953 -2.057 2.292 1.00 15.00 H new ATOM 0 HG2 PRO A 237 10.698 -1.741 3.745 1.00 15.00 H new ATOM 0 HG3 PRO A 237 12.150 -0.823 4.094 1.00 15.00 H new ATOM 0 HD2 PRO A 237 9.659 0.065 2.642 1.00 15.00 H new ATOM 0 HD3 PRO A 237 10.647 0.959 3.781 1.00 15.00 H new ATOM 49 N GLU A 238 12.609 -0.924 -1.110 1.00 15.00 N ATOM 50 CA GLU A 238 12.216 -1.056 -2.504 1.00 15.00 C ATOM 51 C GLU A 238 11.238 -2.209 -2.686 1.00 15.00 C ATOM 52 O GLU A 238 11.361 -3.262 -2.062 1.00 15.00 O ATOM 53 CB GLU A 238 13.438 -1.254 -3.400 1.00 15.00 C ATOM 54 CG GLU A 238 14.372 -2.347 -2.926 1.00 15.00 C ATOM 55 CD GLU A 238 15.495 -1.817 -2.058 1.00 15.00 C ATOM 56 OE1 GLU A 238 16.656 -1.841 -2.514 1.00 15.00 O ATOM 57 OE2 GLU A 238 15.221 -1.347 -0.932 1.00 15.00 O1- ATOM 0 H GLU A 238 13.576 -1.180 -0.911 1.00 15.00 H new ATOM 0 HA GLU A 238 11.719 -0.131 -2.798 1.00 15.00 H new ATOM 0 HB2 GLU A 238 13.102 -1.489 -4.410 1.00 15.00 H new ATOM 0 HB3 GLU A 238 13.991 -0.316 -3.458 1.00 15.00 H new ATOM 0 HG2 GLU A 238 13.803 -3.088 -2.365 1.00 15.00 H new ATOM 0 HG3 GLU A 238 14.796 -2.858 -3.790 1.00 15.00 H new ATOM 64 N GLY A 239 10.272 -1.994 -3.558 1.00 15.00 N ATOM 65 CA GLY A 239 9.234 -2.974 -3.784 1.00 15.00 C ATOM 66 C GLY A 239 7.844 -2.403 -3.566 1.00 15.00 C ATOM 67 O GLY A 239 6.861 -2.934 -4.087 1.00 15.00 O ATOM 0 H GLY A 239 10.187 -1.148 -4.121 1.00 15.00 H new ATOM 0 HA2 GLY A 239 9.312 -3.354 -4.802 1.00 15.00 H new ATOM 0 HA3 GLY A 239 9.385 -3.821 -3.115 1.00 15.00 H new ATOM 71 N TYR A 240 7.753 -1.329 -2.789 1.00 15.00 N ATOM 72 CA TYR A 240 6.466 -0.687 -2.524 1.00 15.00 C ATOM 73 C TYR A 240 6.258 0.473 -3.477 1.00 15.00 C ATOM 74 O TYR A 240 7.183 1.247 -3.735 1.00 15.00 O ATOM 75 CB TYR A 240 6.391 -0.123 -1.095 1.00 15.00 C ATOM 76 CG TYR A 240 6.781 -1.087 -0.005 1.00 15.00 C ATOM 77 CD1 TYR A 240 8.044 -1.041 0.557 1.00 15.00 C ATOM 78 CD2 TYR A 240 5.894 -2.043 0.456 1.00 15.00 C ATOM 79 CE1 TYR A 240 8.419 -1.922 1.542 1.00 15.00 C ATOM 80 CE2 TYR A 240 6.258 -2.932 1.448 1.00 15.00 C ATOM 81 CZ TYR A 240 7.526 -2.870 1.986 1.00 15.00 C ATOM 82 OH TYR A 240 7.898 -3.750 2.976 1.00 15.00 O ATOM 0 H TYR A 240 8.550 -0.885 -2.333 1.00 15.00 H new ATOM 0 HA TYR A 240 5.700 -1.452 -2.655 1.00 15.00 H new ATOM 0 HB2 TYR A 240 7.037 0.752 -1.032 1.00 15.00 H new ATOM 0 HB3 TYR A 240 5.373 0.219 -0.909 1.00 15.00 H new ATOM 0 HD1 TYR A 240 8.749 -0.298 0.215 1.00 15.00 H new ATOM 0 HD2 TYR A 240 4.901 -2.095 0.034 1.00 15.00 H new ATOM 0 HE1 TYR A 240 9.411 -1.871 1.966 1.00 15.00 H new ATOM 0 HE2 TYR A 240 5.554 -3.671 1.800 1.00 15.00 H new ATOM 0 HH TYR A 240 7.152 -4.353 3.175 1.00 15.00 H new ATOM 92 N GLU A 241 5.051 0.605 -3.980 1.00 15.00 N ATOM 93 CA GLU A 241 4.671 1.798 -4.703 1.00 15.00 C ATOM 94 C GLU A 241 3.736 2.623 -3.830 1.00 15.00 C ATOM 95 O GLU A 241 2.928 2.072 -3.076 1.00 15.00 O ATOM 96 CB GLU A 241 4.006 1.448 -6.037 1.00 15.00 C ATOM 97 CG GLU A 241 2.761 0.590 -5.912 1.00 15.00 C ATOM 98 CD GLU A 241 2.095 0.361 -7.251 1.00 15.00 C ATOM 99 OE1 GLU A 241 1.133 1.087 -7.577 1.00 15.00 O ATOM 100 OE2 GLU A 241 2.549 -0.524 -8.003 1.00 15.00 O1- ATOM 0 H GLU A 241 4.316 -0.098 -3.902 1.00 15.00 H new ATOM 0 HA GLU A 241 5.564 2.379 -4.933 1.00 15.00 H new ATOM 0 HB2 GLU A 241 3.745 2.372 -6.552 1.00 15.00 H new ATOM 0 HB3 GLU A 241 4.730 0.927 -6.664 1.00 15.00 H new ATOM 0 HG2 GLU A 241 3.025 -0.370 -5.469 1.00 15.00 H new ATOM 0 HG3 GLU A 241 2.056 1.070 -5.234 1.00 15.00 H new ATOM 107 N GLN A 242 3.834 3.936 -3.931 1.00 15.00 N ATOM 108 CA GLN A 242 2.997 4.809 -3.131 1.00 15.00 C ATOM 109 C GLN A 242 1.723 5.086 -3.896 1.00 15.00 C ATOM 110 O GLN A 242 1.710 5.851 -4.863 1.00 15.00 O ATOM 111 CB GLN A 242 3.733 6.110 -2.794 1.00 15.00 C ATOM 112 CG GLN A 242 3.133 6.914 -1.640 1.00 15.00 C ATOM 113 CD GLN A 242 1.853 7.649 -1.994 1.00 15.00 C ATOM 114 OE1 GLN A 242 1.890 8.779 -2.478 1.00 15.00 O ATOM 115 NE2 GLN A 242 0.713 7.034 -1.717 1.00 15.00 N ATOM 0 H GLN A 242 4.481 4.418 -4.555 1.00 15.00 H new ATOM 0 HA GLN A 242 2.755 4.324 -2.186 1.00 15.00 H new ATOM 0 HB2 GLN A 242 4.768 5.871 -2.550 1.00 15.00 H new ATOM 0 HB3 GLN A 242 3.752 6.739 -3.684 1.00 15.00 H new ATOM 0 HG2 GLN A 242 2.933 6.240 -0.807 1.00 15.00 H new ATOM 0 HG3 GLN A 242 3.871 7.638 -1.294 1.00 15.00 H new ATOM 0 HE21 GLN A 242 0.724 6.096 -1.316 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -0.176 7.498 -1.905 1.00 15.00 H new ATOM 124 N ARG A 243 0.668 4.409 -3.490 1.00 15.00 N ATOM 125 CA ARG A 243 -0.602 4.500 -4.177 1.00 15.00 C ATOM 126 C ARG A 243 -1.645 5.184 -3.308 1.00 15.00 C ATOM 127 O ARG A 243 -1.798 4.870 -2.125 1.00 15.00 O ATOM 128 CB ARG A 243 -1.078 3.108 -4.595 1.00 15.00 C ATOM 129 CG ARG A 243 -2.428 3.132 -5.280 1.00 15.00 C ATOM 130 CD ARG A 243 -2.689 1.873 -6.081 1.00 15.00 C ATOM 131 NE ARG A 243 -3.959 1.970 -6.790 1.00 15.00 N ATOM 132 CZ ARG A 243 -4.117 2.517 -7.991 1.00 15.00 C ATOM 133 NH1 ARG A 243 -3.070 2.926 -8.688 1.00 15.00 N1+ ATOM 134 NH2 ARG A 243 -5.330 2.634 -8.506 1.00 15.00 N ATOM 0 H ARG A 243 0.667 3.786 -2.682 1.00 15.00 H new ATOM 0 HA ARG A 243 -0.464 5.106 -5.072 1.00 15.00 H new ATOM 0 HB2 ARG A 243 -0.343 2.664 -5.266 1.00 15.00 H new ATOM 0 HB3 ARG A 243 -1.134 2.468 -3.714 1.00 15.00 H new ATOM 0 HG2 ARG A 243 -3.211 3.252 -4.531 1.00 15.00 H new ATOM 0 HG3 ARG A 243 -2.483 3.998 -5.940 1.00 15.00 H new ATOM 0 HD2 ARG A 243 -1.880 1.715 -6.794 1.00 15.00 H new ATOM 0 HD3 ARG A 243 -2.702 1.009 -5.417 1.00 15.00 H new ATOM 0 HE ARG A 243 -4.787 1.590 -6.331 1.00 15.00 H new ATOM 0 HH11 ARG A 243 -2.130 2.823 -8.305 1.00 15.00 H new ATOM 0 HH12 ARG A 243 -3.202 3.344 -9.609 1.00 15.00 H new ATOM 0 HH21 ARG A 243 -6.141 2.305 -7.982 1.00 15.00 H new ATOM 0 HH22 ARG A 243 -5.455 3.053 -9.427 1.00 15.00 H new ATOM 148 N THR A 244 -2.377 6.091 -3.923 1.00 15.00 N ATOM 149 CA THR A 244 -3.381 6.876 -3.240 1.00 15.00 C ATOM 150 C THR A 244 -4.679 6.844 -4.031 1.00 15.00 C ATOM 151 O THR A 244 -4.671 6.981 -5.254 1.00 15.00 O ATOM 152 CB THR A 244 -2.925 8.339 -3.076 1.00 15.00 C ATOM 153 OG1 THR A 244 -1.623 8.381 -2.475 1.00 15.00 O ATOM 154 CG2 THR A 244 -3.906 9.128 -2.219 1.00 15.00 C ATOM 0 H THR A 244 -2.290 6.304 -4.917 1.00 15.00 H new ATOM 0 HA THR A 244 -3.533 6.446 -2.250 1.00 15.00 H new ATOM 0 HB THR A 244 -2.888 8.794 -4.066 1.00 15.00 H new ATOM 0 HG1 THR A 244 -1.339 9.314 -2.375 1.00 15.00 H new ATOM 0 HG21 THR A 244 -3.558 10.156 -2.121 1.00 15.00 H new ATOM 0 HG22 THR A 244 -4.889 9.121 -2.691 1.00 15.00 H new ATOM 0 HG23 THR A 244 -3.974 8.672 -1.231 1.00 15.00 H new ATOM 162 N THR A 245 -5.781 6.644 -3.336 1.00 15.00 N ATOM 163 CA THR A 245 -7.079 6.617 -3.972 1.00 15.00 C ATOM 164 C THR A 245 -7.909 7.819 -3.536 1.00 15.00 C ATOM 165 O THR A 245 -7.729 8.340 -2.429 1.00 15.00 O ATOM 166 CB THR A 245 -7.825 5.294 -3.659 1.00 15.00 C ATOM 167 OG1 THR A 245 -9.211 5.388 -4.010 1.00 15.00 O ATOM 168 CG2 THR A 245 -7.698 4.915 -2.190 1.00 15.00 C ATOM 0 H THR A 245 -5.801 6.497 -2.327 1.00 15.00 H new ATOM 0 HA THR A 245 -6.931 6.670 -5.051 1.00 15.00 H new ATOM 0 HB THR A 245 -7.357 4.515 -4.261 1.00 15.00 H new ATOM 0 HG1 THR A 245 -9.734 4.783 -3.444 1.00 15.00 H new ATOM 0 HG21 THR A 245 -8.233 3.983 -2.007 1.00 15.00 H new ATOM 0 HG22 THR A 245 -6.646 4.785 -1.937 1.00 15.00 H new ATOM 0 HG23 THR A 245 -8.124 5.705 -1.572 1.00 15.00 H new ATOM 176 N VAL A 246 -8.794 8.271 -4.424 1.00 15.00 N ATOM 177 CA VAL A 246 -9.737 9.354 -4.129 1.00 15.00 C ATOM 178 C VAL A 246 -10.538 9.075 -2.860 1.00 15.00 C ATOM 179 O VAL A 246 -11.166 9.971 -2.291 1.00 15.00 O ATOM 180 CB VAL A 246 -10.715 9.580 -5.294 1.00 15.00 C ATOM 181 CG1 VAL A 246 -10.029 10.312 -6.435 1.00 15.00 C ATOM 182 CG2 VAL A 246 -11.290 8.258 -5.778 1.00 15.00 C ATOM 0 H VAL A 246 -8.879 7.898 -5.369 1.00 15.00 H new ATOM 0 HA VAL A 246 -9.137 10.252 -3.981 1.00 15.00 H new ATOM 0 HB VAL A 246 -11.536 10.199 -4.933 1.00 15.00 H new ATOM 0 HG11 VAL A 246 -10.738 10.462 -7.249 1.00 15.00 H new ATOM 0 HG12 VAL A 246 -9.670 11.279 -6.083 1.00 15.00 H new ATOM 0 HG13 VAL A 246 -9.186 9.720 -6.792 1.00 15.00 H new ATOM 0 HG21 VAL A 246 -11.979 8.441 -6.602 1.00 15.00 H new ATOM 0 HG22 VAL A 246 -10.481 7.612 -6.118 1.00 15.00 H new ATOM 0 HG23 VAL A 246 -11.823 7.772 -4.961 1.00 15.00 H new ATOM 192 N GLN A 247 -10.519 7.818 -2.447 1.00 15.00 N ATOM 193 CA GLN A 247 -11.071 7.384 -1.168 1.00 15.00 C ATOM 194 C GLN A 247 -10.497 8.212 -0.003 1.00 15.00 C ATOM 195 O GLN A 247 -11.053 8.229 1.094 1.00 15.00 O ATOM 196 CB GLN A 247 -10.758 5.894 -0.979 1.00 15.00 C ATOM 197 CG GLN A 247 -11.297 5.272 0.299 1.00 15.00 C ATOM 198 CD GLN A 247 -12.817 5.255 0.363 1.00 15.00 C ATOM 199 OE1 GLN A 247 -13.491 6.133 -0.175 1.00 15.00 O ATOM 200 NE2 GLN A 247 -13.370 4.248 1.014 1.00 15.00 N ATOM 0 H GLN A 247 -10.115 7.059 -2.996 1.00 15.00 H new ATOM 0 HA GLN A 247 -12.150 7.538 -1.171 1.00 15.00 H new ATOM 0 HB2 GLN A 247 -11.162 5.344 -1.829 1.00 15.00 H new ATOM 0 HB3 GLN A 247 -9.676 5.762 -0.999 1.00 15.00 H new ATOM 0 HG2 GLN A 247 -10.925 4.251 0.383 1.00 15.00 H new ATOM 0 HG3 GLN A 247 -10.910 5.824 1.155 1.00 15.00 H new ATOM 0 HE21 GLN A 247 -12.782 3.537 1.449 1.00 15.00 H new ATOM 0 HE22 GLN A 247 -14.386 4.181 1.082 1.00 15.00 H new ATOM 209 N GLY A 248 -9.367 8.872 -0.245 1.00 15.00 N ATOM 210 CA GLY A 248 -8.791 9.758 0.750 1.00 15.00 C ATOM 211 C GLY A 248 -7.780 9.052 1.626 1.00 15.00 C ATOM 212 O GLY A 248 -7.218 9.643 2.546 1.00 15.00 O ATOM 0 H GLY A 248 -8.839 8.808 -1.116 1.00 15.00 H new ATOM 0 HA2 GLY A 248 -8.312 10.600 0.250 1.00 15.00 H new ATOM 0 HA3 GLY A 248 -9.586 10.168 1.373 1.00 15.00 H new ATOM 216 N GLN A 249 -7.543 7.787 1.328 1.00 15.00 N ATOM 217 CA GLN A 249 -6.641 6.966 2.117 1.00 15.00 C ATOM 218 C GLN A 249 -5.561 6.389 1.215 1.00 15.00 C ATOM 219 O GLN A 249 -5.801 6.149 0.030 1.00 15.00 O ATOM 220 CB GLN A 249 -7.422 5.832 2.781 1.00 15.00 C ATOM 221 CG GLN A 249 -8.708 6.278 3.445 1.00 15.00 C ATOM 222 CD GLN A 249 -9.458 5.140 4.113 1.00 15.00 C ATOM 223 OE1 GLN A 249 -9.252 4.846 5.288 1.00 15.00 O ATOM 224 NE2 GLN A 249 -10.331 4.485 3.362 1.00 15.00 N ATOM 0 H GLN A 249 -7.967 7.302 0.537 1.00 15.00 H new ATOM 0 HA GLN A 249 -6.177 7.578 2.890 1.00 15.00 H new ATOM 0 HB2 GLN A 249 -7.655 5.077 2.030 1.00 15.00 H new ATOM 0 HB3 GLN A 249 -6.786 5.355 3.527 1.00 15.00 H new ATOM 0 HG2 GLN A 249 -8.480 7.041 4.189 1.00 15.00 H new ATOM 0 HG3 GLN A 249 -9.353 6.742 2.699 1.00 15.00 H new ATOM 0 HE21 GLN A 249 -10.474 4.759 2.390 1.00 15.00 H new ATOM 0 HE22 GLN A 249 -10.860 3.707 3.756 1.00 15.00 H new ATOM 233 N VAL A 250 -4.386 6.159 1.766 1.00 15.00 N ATOM 234 CA VAL A 250 -3.293 5.586 1.000 1.00 15.00 C ATOM 235 C VAL A 250 -3.111 4.121 1.366 1.00 15.00 C ATOM 236 O VAL A 250 -3.208 3.749 2.536 1.00 15.00 O ATOM 237 CB VAL A 250 -1.963 6.351 1.222 1.00 15.00 C ATOM 238 CG1 VAL A 250 -2.090 7.791 0.749 1.00 15.00 C ATOM 239 CG2 VAL A 250 -1.539 6.314 2.685 1.00 15.00 C ATOM 0 H VAL A 250 -4.162 6.359 2.741 1.00 15.00 H new ATOM 0 HA VAL A 250 -3.554 5.673 -0.055 1.00 15.00 H new ATOM 0 HB VAL A 250 -1.192 5.852 0.634 1.00 15.00 H new ATOM 0 HG11 VAL A 250 -1.147 8.312 0.913 1.00 15.00 H new ATOM 0 HG12 VAL A 250 -2.333 7.805 -0.314 1.00 15.00 H new ATOM 0 HG13 VAL A 250 -2.882 8.289 1.308 1.00 15.00 H new ATOM 0 HG21 VAL A 250 -0.603 6.859 2.806 1.00 15.00 H new ATOM 0 HG22 VAL A 250 -2.311 6.777 3.299 1.00 15.00 H new ATOM 0 HG23 VAL A 250 -1.399 5.279 2.997 1.00 15.00 H new ATOM 249 N TYR A 251 -2.881 3.285 0.368 1.00 15.00 N ATOM 250 CA TYR A 251 -2.633 1.877 0.623 1.00 15.00 C ATOM 251 C TYR A 251 -1.323 1.450 -0.032 1.00 15.00 C ATOM 252 O TYR A 251 -1.136 1.601 -1.239 1.00 15.00 O ATOM 253 CB TYR A 251 -3.841 0.998 0.206 1.00 15.00 C ATOM 254 CG TYR A 251 -4.333 1.102 -1.235 1.00 15.00 C ATOM 255 CD1 TYR A 251 -3.912 0.198 -2.212 1.00 15.00 C ATOM 256 CD2 TYR A 251 -5.284 2.051 -1.603 1.00 15.00 C ATOM 257 CE1 TYR A 251 -4.406 0.233 -3.485 1.00 15.00 C ATOM 258 CE2 TYR A 251 -5.777 2.099 -2.891 1.00 15.00 C ATOM 259 CZ TYR A 251 -5.341 1.187 -3.828 1.00 15.00 C ATOM 260 OH TYR A 251 -5.850 1.229 -5.102 1.00 15.00 O ATOM 0 H TYR A 251 -2.861 3.553 -0.616 1.00 15.00 H new ATOM 0 HA TYR A 251 -2.521 1.726 1.697 1.00 15.00 H new ATOM 0 HB2 TYR A 251 -3.579 -0.043 0.396 1.00 15.00 H new ATOM 0 HB3 TYR A 251 -4.676 1.242 0.863 1.00 15.00 H new ATOM 0 HD1 TYR A 251 -3.176 -0.549 -1.954 1.00 15.00 H new ATOM 0 HD2 TYR A 251 -5.641 2.759 -0.870 1.00 15.00 H new ATOM 0 HE1 TYR A 251 -4.066 -0.483 -4.219 1.00 15.00 H new ATOM 0 HE2 TYR A 251 -6.503 2.850 -3.164 1.00 15.00 H new ATOM 0 HH TYR A 251 -6.211 0.349 -5.339 1.00 15.00 H new ATOM 270 N PHE A 252 -0.417 0.916 0.786 1.00 15.00 N ATOM 271 CA PHE A 252 0.941 0.616 0.346 1.00 15.00 C ATOM 272 C PHE A 252 1.036 -0.778 -0.214 1.00 15.00 C ATOM 273 O PHE A 252 0.893 -1.765 0.516 1.00 15.00 O ATOM 274 CB PHE A 252 1.930 0.751 1.501 1.00 15.00 C ATOM 275 CG PHE A 252 2.357 2.169 1.750 1.00 15.00 C ATOM 276 CD1 PHE A 252 2.182 2.758 2.993 1.00 15.00 C ATOM 277 CD2 PHE A 252 2.914 2.921 0.731 1.00 15.00 C ATOM 278 CE1 PHE A 252 2.555 4.068 3.212 1.00 15.00 C ATOM 279 CE2 PHE A 252 3.295 4.231 0.946 1.00 15.00 C ATOM 280 CZ PHE A 252 3.114 4.806 2.188 1.00 15.00 C ATOM 0 H PHE A 252 -0.602 0.682 1.761 1.00 15.00 H new ATOM 0 HA PHE A 252 1.191 1.335 -0.434 1.00 15.00 H new ATOM 0 HB2 PHE A 252 1.477 0.350 2.408 1.00 15.00 H new ATOM 0 HB3 PHE A 252 2.811 0.145 1.290 1.00 15.00 H new ATOM 0 HD1 PHE A 252 1.749 2.185 3.799 1.00 15.00 H new ATOM 0 HD2 PHE A 252 3.053 2.478 -0.244 1.00 15.00 H new ATOM 0 HE1 PHE A 252 2.410 4.516 4.184 1.00 15.00 H new ATOM 0 HE2 PHE A 252 3.734 4.805 0.143 1.00 15.00 H new ATOM 0 HZ PHE A 252 3.409 5.831 2.358 1.00 15.00 H new ATOM 290 N LEU A 253 1.263 -0.853 -1.517 1.00 15.00 N ATOM 291 CA LEU A 253 1.301 -2.126 -2.202 1.00 15.00 C ATOM 292 C LEU A 253 2.684 -2.541 -2.652 1.00 15.00 C ATOM 293 O LEU A 253 3.450 -1.782 -3.247 1.00 15.00 O ATOM 294 CB LEU A 253 0.278 -2.189 -3.343 1.00 15.00 C ATOM 295 CG LEU A 253 -1.082 -2.738 -2.913 1.00 15.00 C ATOM 296 CD1 LEU A 253 -1.103 -4.238 -3.146 1.00 15.00 C ATOM 297 CD2 LEU A 253 -1.331 -2.413 -1.447 1.00 15.00 C ATOM 0 H LEU A 253 1.423 -0.044 -2.117 1.00 15.00 H new ATOM 0 HA LEU A 253 1.011 -2.867 -1.457 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.143 -1.189 -3.755 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.676 -2.813 -4.143 1.00 15.00 H new ATOM 0 HG LEU A 253 -1.875 -2.276 -3.501 1.00 15.00 H new ATOM 0 HD11 LEU A 253 -2.070 -4.640 -2.842 1.00 15.00 H new ATOM 0 HD12 LEU A 253 -0.941 -4.444 -4.204 1.00 15.00 H new ATOM 0 HD13 LEU A 253 -0.314 -4.708 -2.559 1.00 15.00 H new ATOM 0 HD21 LEU A 253 -2.302 -2.807 -1.147 1.00 15.00 H new ATOM 0 HD22 LEU A 253 -0.551 -2.867 -0.836 1.00 15.00 H new ATOM 0 HD23 LEU A 253 -1.319 -1.332 -1.307 1.00 15.00 H new ATOM 309 N HIS A 254 2.956 -3.793 -2.352 1.00 15.00 N ATOM 310 CA HIS A 254 4.208 -4.454 -2.654 1.00 15.00 C ATOM 311 C HIS A 254 3.901 -5.884 -2.995 1.00 15.00 C ATOM 312 O HIS A 254 3.708 -6.702 -2.090 1.00 15.00 O ATOM 313 CB HIS A 254 5.148 -4.416 -1.437 1.00 15.00 C ATOM 314 CG HIS A 254 6.273 -5.424 -1.447 1.00 15.00 C ATOM 315 ND1 HIS A 254 6.239 -6.593 -0.706 1.00 15.00 N ATOM 316 CD2 HIS A 254 7.457 -5.437 -2.103 1.00 15.00 C ATOM 317 CE1 HIS A 254 7.350 -7.279 -0.914 1.00 15.00 C ATOM 318 NE2 HIS A 254 8.105 -6.598 -1.756 1.00 15.00 N ATOM 0 H HIS A 254 2.289 -4.399 -1.875 1.00 15.00 H new ATOM 0 HA HIS A 254 4.700 -3.948 -3.484 1.00 15.00 H new ATOM 0 HB2 HIS A 254 5.580 -3.418 -1.366 1.00 15.00 H new ATOM 0 HB3 HIS A 254 4.553 -4.571 -0.537 1.00 15.00 H new ATOM 0 HD2 HIS A 254 7.824 -4.676 -2.775 1.00 15.00 H new ATOM 0 HE1 HIS A 254 7.597 -8.233 -0.471 1.00 15.00 H new ATOM 0 HE2 HIS A 254 9.023 -6.887 -2.095 1.00 15.00 H new ATOM 327 N THR A 255 3.792 -6.223 -4.257 1.00 15.00 N ATOM 328 CA THR A 255 3.514 -7.605 -4.521 1.00 15.00 C ATOM 329 C THR A 255 4.791 -8.366 -4.815 1.00 15.00 C ATOM 330 O THR A 255 5.242 -8.483 -5.949 1.00 15.00 O ATOM 331 CB THR A 255 2.532 -7.746 -5.696 1.00 15.00 C ATOM 332 OG1 THR A 255 2.884 -6.814 -6.728 1.00 15.00 O ATOM 333 CG2 THR A 255 1.102 -7.493 -5.240 1.00 15.00 C ATOM 0 H THR A 255 3.884 -5.607 -5.065 1.00 15.00 H new ATOM 0 HA THR A 255 3.055 -8.031 -3.629 1.00 15.00 H new ATOM 0 HB THR A 255 2.594 -8.764 -6.082 1.00 15.00 H new ATOM 0 HG1 THR A 255 3.830 -6.923 -6.958 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.426 -7.598 -6.088 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.833 -8.215 -4.469 1.00 15.00 H new ATOM 0 HG23 THR A 255 1.022 -6.484 -4.835 1.00 15.00 H new ATOM 341 N GLN A 256 5.376 -8.835 -3.731 1.00 15.00 N ATOM 342 CA GLN A 256 6.188 -10.028 -3.684 1.00 15.00 C ATOM 343 C GLN A 256 5.320 -11.119 -3.093 1.00 15.00 C ATOM 344 O GLN A 256 5.147 -12.206 -3.642 1.00 15.00 O ATOM 345 CB GLN A 256 7.418 -9.778 -2.817 1.00 15.00 C ATOM 346 CG GLN A 256 8.313 -10.983 -2.605 1.00 15.00 C ATOM 347 CD GLN A 256 9.416 -10.692 -1.607 1.00 15.00 C ATOM 348 OE1 GLN A 256 9.861 -9.552 -1.475 1.00 15.00 O ATOM 349 NE2 GLN A 256 9.861 -11.713 -0.895 1.00 15.00 N ATOM 0 H GLN A 256 5.294 -8.375 -2.824 1.00 15.00 H new ATOM 0 HA GLN A 256 6.540 -10.316 -4.674 1.00 15.00 H new ATOM 0 HB2 GLN A 256 8.008 -8.983 -3.272 1.00 15.00 H new ATOM 0 HB3 GLN A 256 7.089 -9.414 -1.844 1.00 15.00 H new ATOM 0 HG2 GLN A 256 7.715 -11.823 -2.252 1.00 15.00 H new ATOM 0 HG3 GLN A 256 8.753 -11.282 -3.557 1.00 15.00 H new ATOM 0 HE21 GLN A 256 9.466 -12.643 -1.034 1.00 15.00 H new ATOM 0 HE22 GLN A 256 10.600 -11.571 -0.206 1.00 15.00 H new ATOM 358 N THR A 257 4.778 -10.760 -1.928 1.00 15.00 N ATOM 359 CA THR A 257 3.950 -11.625 -1.122 1.00 15.00 C ATOM 360 C THR A 257 2.584 -11.029 -0.920 1.00 15.00 C ATOM 361 O THR A 257 1.866 -11.304 0.040 1.00 15.00 O ATOM 362 CB THR A 257 4.576 -11.808 0.235 1.00 15.00 C ATOM 363 OG1 THR A 257 4.854 -10.519 0.812 1.00 15.00 O ATOM 364 CG2 THR A 257 5.858 -12.617 0.162 1.00 15.00 C ATOM 0 H THR A 257 4.913 -9.835 -1.519 1.00 15.00 H new ATOM 0 HA THR A 257 3.861 -12.579 -1.643 1.00 15.00 H new ATOM 0 HB THR A 257 3.870 -12.357 0.858 1.00 15.00 H new ATOM 0 HG1 THR A 257 5.260 -10.637 1.696 1.00 15.00 H new ATOM 0 HG21 THR A 257 6.277 -12.726 1.162 1.00 15.00 H new ATOM 0 HG22 THR A 257 5.643 -13.603 -0.250 1.00 15.00 H new ATOM 0 HG23 THR A 257 6.576 -12.104 -0.478 1.00 15.00 H new ATOM 372 N GLY A 258 2.273 -10.252 -1.879 1.00 15.00 N ATOM 373 CA GLY A 258 1.040 -9.480 -1.918 1.00 15.00 C ATOM 374 C GLY A 258 0.822 -8.611 -0.685 1.00 15.00 C ATOM 375 O GLY A 258 -0.012 -8.929 0.161 1.00 15.00 O ATOM 0 H GLY A 258 2.868 -10.112 -2.696 1.00 15.00 H new ATOM 0 HA2 GLY A 258 1.048 -8.844 -2.803 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.197 -10.163 -2.024 1.00 15.00 H new ATOM 379 N VAL A 259 1.568 -7.513 -0.572 1.00 15.00 N ATOM 380 CA VAL A 259 1.331 -6.568 0.518 1.00 15.00 C ATOM 381 C VAL A 259 0.333 -5.508 0.128 1.00 15.00 C ATOM 382 O VAL A 259 0.586 -4.703 -0.760 1.00 15.00 O ATOM 383 CB VAL A 259 2.611 -5.867 1.043 1.00 15.00 C ATOM 384 CG1 VAL A 259 2.257 -4.738 2.004 1.00 15.00 C ATOM 385 CG2 VAL A 259 3.453 -6.887 1.757 1.00 15.00 C ATOM 0 H VAL A 259 2.325 -7.259 -1.206 1.00 15.00 H new ATOM 0 HA VAL A 259 0.937 -7.185 1.325 1.00 15.00 H new ATOM 0 HB VAL A 259 3.156 -5.439 0.202 1.00 15.00 H new ATOM 0 HG11 VAL A 259 3.171 -4.262 2.358 1.00 15.00 H new ATOM 0 HG12 VAL A 259 1.641 -4.001 1.489 1.00 15.00 H new ATOM 0 HG13 VAL A 259 1.706 -5.142 2.853 1.00 15.00 H new ATOM 0 HG21 VAL A 259 4.359 -6.412 2.134 1.00 15.00 H new ATOM 0 HG22 VAL A 259 2.889 -7.305 2.591 1.00 15.00 H new ATOM 0 HG23 VAL A 259 3.723 -7.685 1.065 1.00 15.00 H new ATOM 395 N SER A 260 -0.785 -5.534 0.821 1.00 15.00 N ATOM 396 CA SER A 260 -1.787 -4.478 0.734 1.00 15.00 C ATOM 397 C SER A 260 -2.122 -4.005 2.132 1.00 15.00 C ATOM 398 O SER A 260 -2.793 -4.704 2.892 1.00 15.00 O ATOM 399 CB SER A 260 -3.054 -4.923 -0.015 1.00 15.00 C ATOM 400 OG SER A 260 -3.473 -6.209 0.403 1.00 15.00 O ATOM 0 H SER A 260 -1.031 -6.287 1.464 1.00 15.00 H new ATOM 0 HA SER A 260 -1.367 -3.657 0.153 1.00 15.00 H new ATOM 0 HB2 SER A 260 -3.854 -4.203 0.159 1.00 15.00 H new ATOM 0 HB3 SER A 260 -2.861 -4.932 -1.088 1.00 15.00 H new ATOM 0 HG SER A 260 -3.444 -6.261 1.381 1.00 15.00 H new ATOM 406 N THR A 261 -1.623 -2.833 2.480 1.00 15.00 N ATOM 407 CA THR A 261 -1.663 -2.393 3.869 1.00 15.00 C ATOM 408 C THR A 261 -1.959 -0.906 4.006 1.00 15.00 C ATOM 409 O THR A 261 -1.628 -0.111 3.125 1.00 15.00 O ATOM 410 CB THR A 261 -0.331 -2.701 4.581 1.00 15.00 C ATOM 411 OG1 THR A 261 0.775 -2.334 3.746 1.00 15.00 O ATOM 412 CG2 THR A 261 -0.227 -4.173 4.954 1.00 15.00 C ATOM 0 H THR A 261 -1.190 -2.174 1.833 1.00 15.00 H new ATOM 0 HA THR A 261 -2.476 -2.947 4.337 1.00 15.00 H new ATOM 0 HB THR A 261 -0.303 -2.114 5.499 1.00 15.00 H new ATOM 0 HG1 THR A 261 1.615 -2.533 4.210 1.00 15.00 H new ATOM 0 HG21 THR A 261 0.724 -4.355 5.454 1.00 15.00 H new ATOM 0 HG22 THR A 261 -1.046 -4.437 5.623 1.00 15.00 H new ATOM 0 HG23 THR A 261 -0.285 -4.782 4.052 1.00 15.00 H new ATOM 420 N TRP A 262 -2.601 -0.551 5.115 1.00 15.00 N ATOM 421 CA TRP A 262 -2.832 0.844 5.458 1.00 15.00 C ATOM 422 C TRP A 262 -1.553 1.500 5.974 1.00 15.00 C ATOM 423 O TRP A 262 -1.343 2.700 5.801 1.00 15.00 O ATOM 424 CB TRP A 262 -3.903 0.973 6.544 1.00 15.00 C ATOM 425 CG TRP A 262 -5.317 0.764 6.091 1.00 15.00 C ATOM 426 CD1 TRP A 262 -6.213 -0.142 6.588 1.00 15.00 C ATOM 427 CD2 TRP A 262 -6.012 1.482 5.067 1.00 15.00 C ATOM 428 NE1 TRP A 262 -7.417 -0.003 5.968 1.00 15.00 N ATOM 429 CE2 TRP A 262 -7.320 0.974 5.033 1.00 15.00 C ATOM 430 CE3 TRP A 262 -5.672 2.508 4.180 1.00 15.00 C ATOM 431 CZ2 TRP A 262 -8.274 1.451 4.166 1.00 15.00 C ATOM 432 CZ3 TRP A 262 -6.640 2.968 3.309 1.00 15.00 C ATOM 433 CH2 TRP A 262 -7.927 2.435 3.321 1.00 15.00 C ATOM 0 H TRP A 262 -2.972 -1.216 5.794 1.00 15.00 H new ATOM 0 HA TRP A 262 -3.165 1.343 4.548 1.00 15.00 H new ATOM 0 HB2 TRP A 262 -3.683 0.253 7.332 1.00 15.00 H new ATOM 0 HB3 TRP A 262 -3.826 1.965 6.988 1.00 15.00 H new ATOM 0 HD1 TRP A 262 -5.996 -0.864 7.361 1.00 15.00 H new ATOM 0 HE1 TRP A 262 -8.256 -0.546 6.174 1.00 15.00 H new ATOM 0 HE3 TRP A 262 -4.678 2.930 4.176 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 -9.275 1.046 4.165 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 -6.396 3.753 2.608 1.00 15.00 H new ATOM 0 HH2 TRP A 262 -8.664 2.823 2.633 1.00 15.00 H new ATOM 444 N HIS A 263 -0.720 0.714 6.646 1.00 15.00 N ATOM 445 CA HIS A 263 0.458 1.252 7.315 1.00 15.00 C ATOM 446 C HIS A 263 1.634 1.360 6.355 1.00 15.00 C ATOM 447 O HIS A 263 1.856 0.477 5.526 1.00 15.00 O ATOM 448 CB HIS A 263 0.846 0.386 8.532 1.00 15.00 C ATOM 449 CG HIS A 263 1.717 -0.810 8.228 1.00 15.00 C ATOM 450 ND1 HIS A 263 3.079 -0.837 8.476 1.00 15.00 N ATOM 451 CD2 HIS A 263 1.415 -2.023 7.702 1.00 15.00 C ATOM 452 CE1 HIS A 263 3.567 -2.010 8.111 1.00 15.00 C ATOM 453 NE2 HIS A 263 2.581 -2.743 7.640 1.00 15.00 N ATOM 0 H HIS A 263 -0.838 -0.295 6.742 1.00 15.00 H new ATOM 0 HA HIS A 263 0.206 2.253 7.666 1.00 15.00 H new ATOM 0 HB2 HIS A 263 1.364 1.017 9.254 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -0.067 0.036 9.013 1.00 15.00 H new ATOM 0 HD1 HIS A 263 3.621 -0.072 8.877 1.00 15.00 H new ATOM 0 HD2 HIS A 263 0.438 -2.360 7.390 1.00 15.00 H new ATOM 0 HE1 HIS A 263 4.600 -2.315 8.187 1.00 15.00 H new ATOM 462 N ASP A 264 2.382 2.442 6.486 1.00 15.00 N ATOM 463 CA ASP A 264 3.654 2.580 5.796 1.00 15.00 C ATOM 464 C ASP A 264 4.565 1.444 6.237 1.00 15.00 C ATOM 465 O ASP A 264 4.779 1.243 7.421 1.00 15.00 O ATOM 466 CB ASP A 264 4.270 3.944 6.119 1.00 15.00 C ATOM 467 CG ASP A 264 5.524 4.238 5.329 1.00 15.00 C ATOM 468 OD1 ASP A 264 6.570 3.618 5.609 1.00 15.00 O ATOM 469 OD2 ASP A 264 5.474 5.114 4.441 1.00 15.00 O1- ATOM 0 H ASP A 264 2.129 3.242 7.067 1.00 15.00 H new ATOM 0 HA ASP A 264 3.514 2.525 4.716 1.00 15.00 H new ATOM 0 HB2 ASP A 264 3.534 4.723 5.921 1.00 15.00 H new ATOM 0 HB3 ASP A 264 4.501 3.987 7.183 1.00 15.00 H new ATOM 474 N PRO A 265 5.078 0.649 5.306 1.00 15.00 N ATOM 475 CA PRO A 265 5.830 -0.552 5.646 1.00 15.00 C ATOM 476 C PRO A 265 7.194 -0.267 6.232 1.00 15.00 C ATOM 477 O PRO A 265 7.841 -1.157 6.784 1.00 15.00 O ATOM 478 CB PRO A 265 5.949 -1.303 4.323 1.00 15.00 C ATOM 479 CG PRO A 265 5.016 -0.605 3.386 1.00 15.00 C ATOM 480 CD PRO A 265 4.954 0.812 3.856 1.00 15.00 C ATOM 0 HA PRO A 265 5.323 -1.121 6.425 1.00 15.00 H new ATOM 0 HB2 PRO A 265 6.972 -1.280 3.949 1.00 15.00 H new ATOM 0 HB3 PRO A 265 5.676 -2.352 4.440 1.00 15.00 H new ATOM 0 HG2 PRO A 265 5.378 -0.661 2.359 1.00 15.00 H new ATOM 0 HG3 PRO A 265 4.028 -1.066 3.402 1.00 15.00 H new ATOM 0 HD2 PRO A 265 5.761 1.417 3.441 1.00 15.00 H new ATOM 0 HD3 PRO A 265 4.018 1.295 3.577 1.00 15.00 H new ATOM 488 N ARG A 266 7.642 0.958 6.090 1.00 15.00 N ATOM 489 CA ARG A 266 8.871 1.376 6.723 1.00 15.00 C ATOM 490 C ARG A 266 8.589 1.654 8.185 1.00 15.00 C ATOM 491 O ARG A 266 9.491 1.868 8.992 1.00 15.00 O ATOM 492 CB ARG A 266 9.396 2.619 6.043 1.00 15.00 C ATOM 493 CG ARG A 266 10.853 2.920 6.353 1.00 15.00 C ATOM 494 CD ARG A 266 11.785 1.864 5.787 1.00 15.00 C ATOM 495 NE ARG A 266 13.186 2.140 6.099 1.00 15.00 N ATOM 496 CZ ARG A 266 14.213 1.719 5.361 1.00 15.00 C ATOM 497 NH1 ARG A 266 14.004 1.023 4.253 1.00 15.00 N1+ ATOM 498 NH2 ARG A 266 15.452 1.996 5.734 1.00 15.00 N ATOM 0 H ARG A 266 7.175 1.682 5.543 1.00 15.00 H new ATOM 0 HA ARG A 266 9.625 0.593 6.639 1.00 15.00 H new ATOM 0 HB2 ARG A 266 9.279 2.509 4.965 1.00 15.00 H new ATOM 0 HB3 ARG A 266 8.787 3.471 6.344 1.00 15.00 H new ATOM 0 HG2 ARG A 266 11.117 3.894 5.942 1.00 15.00 H new ATOM 0 HG3 ARG A 266 10.989 2.982 7.433 1.00 15.00 H new ATOM 0 HD2 ARG A 266 11.511 0.888 6.187 1.00 15.00 H new ATOM 0 HD3 ARG A 266 11.659 1.812 4.706 1.00 15.00 H new ATOM 0 HE ARG A 266 13.391 2.689 6.934 1.00 15.00 H new ATOM 0 HH11 ARG A 266 13.052 0.806 3.959 1.00 15.00 H new ATOM 0 HH12 ARG A 266 14.795 0.705 3.694 1.00 15.00 H new ATOM 0 HH21 ARG A 266 15.621 2.531 6.586 1.00 15.00 H new ATOM 0 HH22 ARG A 266 16.238 1.674 5.170 1.00 15.00 H new ATOM 512 N ILE A 267 7.308 1.656 8.498 1.00 15.00 N ATOM 513 CA ILE A 267 6.853 1.839 9.875 1.00 15.00 C ATOM 514 C ILE A 267 5.940 0.689 10.301 1.00 15.00 C ATOM 515 O ILE A 267 4.704 0.789 10.155 1.00 15.00 O ATOM 516 CB ILE A 267 6.168 3.216 10.132 1.00 15.00 C ATOM 517 CG1 ILE A 267 4.988 3.486 9.181 1.00 15.00 C ATOM 518 CG2 ILE A 267 7.192 4.338 10.023 1.00 15.00 C ATOM 519 CD1 ILE A 267 4.239 4.765 9.496 1.00 15.00 C ATOM 520 OXT ILE A 267 6.475 -0.335 10.771 1.00 15.00 O ATOM 0 H ILE A 267 6.556 1.533 7.819 1.00 15.00 H new ATOM 0 HA ILE A 267 7.751 1.832 10.493 1.00 15.00 H new ATOM 0 HB ILE A 267 5.760 3.182 11.142 1.00 15.00 H new ATOM 0 HG12 ILE A 267 5.360 3.535 8.158 1.00 15.00 H new ATOM 0 HG13 ILE A 267 4.294 2.647 9.228 1.00 15.00 H new ATOM 0 HG21 ILE A 267 6.703 5.295 10.204 1.00 15.00 H new ATOM 0 HG22 ILE A 267 7.978 4.186 10.763 1.00 15.00 H new ATOM 0 HG23 ILE A 267 7.628 4.337 9.024 1.00 15.00 H new ATOM 0 HD11 ILE A 267 3.421 4.892 8.787 1.00 15.00 H new ATOM 0 HD12 ILE A 267 3.837 4.711 10.508 1.00 15.00 H new ATOM 0 HD13 ILE A 267 4.919 5.613 9.420 1.00 15.00 H new TER 532 ILE A 267 ATOM 533 N THR B 208 1.750 2.447 -9.704 1.00 15.00 N ATOM 534 CA THR B 208 0.443 2.515 -10.385 1.00 15.00 C ATOM 535 C THR B 208 0.023 1.121 -10.872 1.00 15.00 C ATOM 536 O THR B 208 -0.481 0.953 -11.983 1.00 15.00 O ATOM 537 CB THR B 208 0.517 3.506 -11.562 1.00 15.00 C ATOM 538 OG1 THR B 208 1.243 4.674 -11.146 1.00 15.00 O ATOM 539 CG2 THR B 208 -0.872 3.926 -12.023 1.00 15.00 C ATOM 0 HA THR B 208 -0.309 2.869 -9.679 1.00 15.00 H new ATOM 0 HB THR B 208 1.021 3.013 -12.393 1.00 15.00 H new ATOM 0 HG1 THR B 208 1.938 4.416 -10.505 1.00 15.00 H new ATOM 0 HG21 THR B 208 -0.783 4.625 -12.854 1.00 15.00 H new ATOM 0 HG22 THR B 208 -1.429 3.047 -12.346 1.00 15.00 H new ATOM 0 HG23 THR B 208 -1.399 4.407 -11.199 1.00 15.00 H new ATOM 549 N SER B 209 0.229 0.123 -10.023 1.00 15.00 N ATOM 550 CA SER B 209 -0.127 -1.249 -10.350 1.00 15.00 C ATOM 551 C SER B 209 -0.532 -2.012 -9.093 1.00 15.00 C ATOM 552 O SER B 209 0.309 -2.374 -8.270 1.00 15.00 O ATOM 553 CB SER B 209 1.040 -1.944 -11.059 1.00 15.00 C ATOM 554 OG SER B 209 2.280 -1.617 -10.447 1.00 15.00 O ATOM 0 H SER B 209 0.643 0.240 -9.098 1.00 15.00 H new ATOM 0 HA SER B 209 -0.982 -1.237 -11.026 1.00 15.00 H new ATOM 0 HB2 SER B 209 0.893 -3.024 -11.035 1.00 15.00 H new ATOM 0 HB3 SER B 209 1.060 -1.648 -12.108 1.00 15.00 H new ATOM 0 HG SER B 209 2.134 -1.413 -9.500 1.00 15.00 H new HETATM 560 N SEP B 210 -1.827 -2.218 -8.933 1.00 15.00 N HETATM 561 CA SEP B 210 -2.356 -2.888 -7.760 1.00 15.00 C HETATM 562 CB SEP B 210 -3.078 -1.854 -6.877 1.00 15.00 C HETATM 563 OG SEP B 210 -3.937 -1.039 -7.660 1.00 15.00 O HETATM 564 C SEP B 210 -3.288 -4.034 -8.173 1.00 15.00 C HETATM 565 O SEP B 210 -3.989 -3.953 -9.182 1.00 15.00 O HETATM 566 P SEP B 210 -5.558 -1.069 -7.559 1.00 15.00 P HETATM 567 O1P SEP B 210 -6.091 0.133 -8.207 1.00 15.00 O HETATM 568 O2P SEP B 210 -6.060 -2.259 -8.245 1.00 15.00 O HETATM 569 O3P SEP B 210 -5.940 -1.093 -6.149 1.00 15.00 O HETATM 0 HB3 SEP B 210 -3.656 -2.366 -6.107 1.00 15.00 H new HETATM 0 HB2 SEP B 210 -2.345 -1.231 -6.364 1.00 15.00 H new HETATM 0 HA SEP B 210 -1.543 -3.329 -7.184 1.00 15.00 H new ATOM 574 N ASP B 211 -3.245 -5.117 -7.410 1.00 15.00 N ATOM 575 CA ASP B 211 -4.174 -6.235 -7.579 1.00 15.00 C ATOM 576 C ASP B 211 -5.325 -6.274 -6.533 1.00 15.00 C ATOM 577 O ASP B 211 -6.297 -7.002 -6.748 1.00 15.00 O ATOM 578 CB ASP B 211 -3.420 -7.566 -7.512 1.00 15.00 C ATOM 579 CG ASP B 211 -2.689 -7.910 -8.793 1.00 15.00 C ATOM 580 OD1 ASP B 211 -1.532 -7.474 -8.965 1.00 15.00 O ATOM 581 OD2 ASP B 211 -3.261 -8.644 -9.625 1.00 15.00 O1- ATOM 0 H ASP B 211 -2.569 -5.249 -6.658 1.00 15.00 H new ATOM 0 HA ASP B 211 -4.630 -6.082 -8.557 1.00 15.00 H new ATOM 0 HB2 ASP B 211 -2.702 -7.527 -6.692 1.00 15.00 H new ATOM 0 HB3 ASP B 211 -4.126 -8.363 -7.280 1.00 15.00 H new ATOM 586 N PRO B 212 -5.257 -5.536 -5.388 1.00 15.00 N ATOM 587 CA PRO B 212 -6.207 -5.660 -4.295 1.00 15.00 C ATOM 588 C PRO B 212 -7.273 -4.570 -4.320 1.00 15.00 C ATOM 589 O PRO B 212 -7.090 -3.519 -4.927 1.00 15.00 O ATOM 590 CB PRO B 212 -5.294 -5.470 -3.091 1.00 15.00 C ATOM 591 CG PRO B 212 -4.298 -4.505 -3.524 1.00 15.00 C ATOM 592 CD PRO B 212 -4.290 -4.490 -5.028 1.00 15.00 C ATOM 0 HA PRO B 212 -6.767 -6.595 -4.317 1.00 15.00 H new ATOM 0 HB2 PRO B 212 -5.850 -5.103 -2.228 1.00 15.00 H new ATOM 0 HB3 PRO B 212 -4.830 -6.411 -2.795 1.00 15.00 H new ATOM 0 HG2 PRO B 212 -4.532 -3.514 -3.134 1.00 15.00 H new ATOM 0 HG3 PRO B 212 -3.314 -4.774 -3.140 1.00 15.00 H new ATOM 0 HD2 PRO B 212 -4.586 -3.517 -5.421 1.00 15.00 H new ATOM 0 HD3 PRO B 212 -3.299 -4.706 -5.426 1.00 15.00 H new ATOM 600 N GLY B 213 -8.373 -4.808 -3.643 1.00 15.00 N ATOM 601 CA GLY B 213 -9.387 -3.785 -3.536 1.00 15.00 C ATOM 602 C GLY B 213 -9.124 -2.916 -2.327 1.00 15.00 C ATOM 603 O GLY B 213 -8.399 -3.324 -1.416 1.00 15.00 O ATOM 0 H GLY B 213 -8.586 -5.684 -3.166 1.00 15.00 H new ATOM 0 HA2 GLY B 213 -9.394 -3.173 -4.438 1.00 15.00 H new ATOM 0 HA3 GLY B 213 -10.372 -4.245 -3.455 1.00 15.00 H new HETATM 607 N SEP B 214 -9.694 -1.725 -2.305 1.00 15.00 N HETATM 608 CA SEP B 214 -9.374 -0.761 -1.271 1.00 15.00 C HETATM 609 CB SEP B 214 -9.477 0.660 -1.841 1.00 15.00 C HETATM 610 OG SEP B 214 -10.654 0.825 -2.615 1.00 15.00 O HETATM 611 C SEP B 214 -10.307 -0.946 -0.077 1.00 15.00 C HETATM 612 O SEP B 214 -11.510 -1.165 -0.231 1.00 15.00 O HETATM 613 P SEP B 214 -11.487 2.220 -2.700 1.00 15.00 P HETATM 614 O1P SEP B 214 -12.154 2.458 -1.419 1.00 15.00 O HETATM 615 O2P SEP B 214 -12.486 2.093 -3.767 1.00 15.00 O HETATM 616 O3P SEP B 214 -10.563 3.317 -3.015 1.00 15.00 O HETATM 0 HB3 SEP B 214 -9.473 1.382 -1.024 1.00 15.00 H new HETATM 0 HB2 SEP B 214 -8.603 0.870 -2.457 1.00 15.00 H new HETATM 0 HA SEP B 214 -8.352 -0.920 -0.927 1.00 15.00 H new HETATM 0 H SEP B 214 -9.939 -1.405 -3.242 1.00 15.00 H new ATOM 621 N PRO B 215 -9.745 -0.854 1.133 1.00 15.00 N ATOM 622 CA PRO B 215 -10.430 -1.193 2.380 1.00 15.00 C ATOM 623 C PRO B 215 -11.186 -0.014 2.991 1.00 15.00 C ATOM 624 O PRO B 215 -10.786 1.142 2.865 1.00 15.00 O ATOM 625 CB PRO B 215 -9.249 -1.600 3.304 1.00 15.00 C ATOM 626 CG PRO B 215 -8.024 -1.534 2.444 1.00 15.00 C ATOM 627 CD PRO B 215 -8.349 -0.525 1.389 1.00 15.00 C ATOM 0 HA PRO B 215 -11.190 -1.961 2.233 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -9.167 -0.925 4.156 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -9.393 -2.603 3.705 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -7.151 -1.233 3.023 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -7.797 -2.505 2.005 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -8.221 0.499 1.740 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -7.726 -0.637 0.501 1.00 15.00 H new ATOM 635 N PHE B 216 -12.291 -0.328 3.653 1.00 15.00 N ATOM 636 CA PHE B 216 -13.122 0.677 4.307 1.00 15.00 C ATOM 637 C PHE B 216 -12.915 0.623 5.816 1.00 15.00 C ATOM 638 O PHE B 216 -13.649 1.248 6.585 1.00 15.00 O ATOM 639 CB PHE B 216 -14.600 0.432 3.983 1.00 15.00 C ATOM 640 CG PHE B 216 -14.904 0.362 2.513 1.00 15.00 C ATOM 641 CD1 PHE B 216 -15.032 -0.863 1.878 1.00 15.00 C ATOM 642 CD2 PHE B 216 -15.063 1.517 1.769 1.00 15.00 C ATOM 643 CE1 PHE B 216 -15.311 -0.934 0.527 1.00 15.00 C ATOM 644 CE2 PHE B 216 -15.343 1.453 0.417 1.00 15.00 C ATOM 645 CZ PHE B 216 -15.466 0.226 -0.204 1.00 15.00 C ATOM 0 H PHE B 216 -12.637 -1.282 3.753 1.00 15.00 H new ATOM 0 HA PHE B 216 -12.834 1.662 3.939 1.00 15.00 H new ATOM 0 HB2 PHE B 216 -14.914 -0.500 4.452 1.00 15.00 H new ATOM 0 HB3 PHE B 216 -15.195 1.229 4.428 1.00 15.00 H new ATOM 0 HD1 PHE B 216 -14.912 -1.773 2.446 1.00 15.00 H new ATOM 0 HD2 PHE B 216 -14.967 2.479 2.250 1.00 15.00 H new ATOM 0 HE1 PHE B 216 -15.408 -1.895 0.044 1.00 15.00 H new ATOM 0 HE2 PHE B 216 -15.465 2.362 -0.153 1.00 15.00 H new ATOM 0 HZ PHE B 216 -15.683 0.174 -1.261 1.00 15.00 H new ATOM 655 N GLN B 217 -11.909 -0.130 6.230 1.00 15.00 N ATOM 656 CA GLN B 217 -11.614 -0.313 7.643 1.00 15.00 C ATOM 657 C GLN B 217 -10.619 0.736 8.117 1.00 15.00 C ATOM 658 O GLN B 217 -11.053 1.747 8.697 1.00 15.00 O ATOM 659 CB GLN B 217 -11.060 -1.719 7.890 1.00 15.00 C ATOM 660 CG GLN B 217 -11.931 -2.822 7.311 1.00 15.00 C ATOM 661 CD GLN B 217 -13.335 -2.837 7.884 1.00 15.00 C ATOM 662 OE1 GLN B 217 -14.294 -3.170 7.191 1.00 15.00 O ATOM 663 NE2 GLN B 217 -13.470 -2.489 9.153 1.00 15.00 N ATOM 664 OXT GLN B 217 -9.408 0.554 7.884 1.00 15.00 O ATOM 0 H GLN B 217 -11.278 -0.628 5.602 1.00 15.00 H new ATOM 0 HA GLN B 217 -12.538 -0.196 8.209 1.00 15.00 H new ATOM 0 HB2 GLN B 217 -10.062 -1.789 7.457 1.00 15.00 H new ATOM 0 HB3 GLN B 217 -10.954 -1.876 8.963 1.00 15.00 H new ATOM 0 HG2 GLN B 217 -11.988 -2.701 6.229 1.00 15.00 H new ATOM 0 HG3 GLN B 217 -11.458 -3.786 7.499 1.00 15.00 H new ATOM 0 HE21 GLN B 217 -12.651 -2.218 9.697 1.00 15.00 H new ATOM 0 HE22 GLN B 217 -14.393 -2.491 9.587 1.00 15.00 H new TER 673 GLN B 217