USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 307 hydrogens (4 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 214 SEP H2 : B 214 SEP N : B 213 GLY C :(H bumps) USER MOD Set 1.1: A 261 THR OG1 : rot 100:sc= -0.875 USER MOD Set 1.2: A 263 HIS : no HE2:sc= -1.12 K(o=-2,f=-0.37) USER MOD Set 2.1: A 254 HIS : no HD1:sc= -0.73 K(o=-0.73,f=-0.23) USER MOD Set 2.2: A 256 GLN : amide:sc= 0 X(o=-0.73,f=-0.69) USER MOD Set 3.1: A 245 THR OG1 : rot 180:sc= 0.0953 USER MOD Set 3.2: A 247 GLN : amide:sc= 0.328 K(o=0.42,f=-7.5!) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 244 THR OG1 : rot 51:sc= 0.175 USER MOD Single : A 249 GLN : amide:sc= -2.84! C(o=-2.8!,f=-2.7!) USER MOD Single : A 251 TYR OH : rot 180:sc= 0.304 USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.307 USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 46:sc= 0.0625 USER MOD Single : B 210 SER OG : rot 41:sc= 0.136 USER MOD Single : B 217 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 -9.875 6.260 -5.124 1.00 15.00 N ATOM 2 CA GLU A 235 -10.241 6.450 -3.702 1.00 15.00 C ATOM 3 C GLU A 235 -10.305 5.103 -2.998 1.00 15.00 C ATOM 4 O GLU A 235 -10.925 4.161 -3.497 1.00 15.00 O ATOM 5 CB GLU A 235 -11.591 7.166 -3.569 1.00 15.00 C ATOM 6 CG GLU A 235 -11.606 8.589 -4.112 1.00 15.00 C ATOM 7 CD GLU A 235 -11.656 8.636 -5.622 1.00 15.00 C ATOM 8 OE1 GLU A 235 -10.586 8.563 -6.258 1.00 15.00 O ATOM 9 OE2 GLU A 235 -12.768 8.725 -6.180 1.00 15.00 O1- ATOM 0 HA GLU A 235 -9.475 7.070 -3.236 1.00 15.00 H new ATOM 0 HB2 GLU A 235 -12.350 6.583 -4.091 1.00 15.00 H new ATOM 0 HB3 GLU A 235 -11.874 7.189 -2.517 1.00 15.00 H new ATOM 0 HG2 GLU A 235 -12.468 9.119 -3.707 1.00 15.00 H new ATOM 0 HG3 GLU A 235 -10.717 9.115 -3.765 1.00 15.00 H new ATOM 18 N LEU A 236 -9.681 5.019 -1.838 1.00 15.00 N ATOM 19 CA LEU A 236 -9.619 3.773 -1.093 1.00 15.00 C ATOM 20 C LEU A 236 -10.567 3.835 0.093 1.00 15.00 C ATOM 21 O LEU A 236 -11.018 4.916 0.483 1.00 15.00 O ATOM 22 CB LEU A 236 -8.199 3.525 -0.565 1.00 15.00 C ATOM 23 CG LEU A 236 -7.059 4.105 -1.407 1.00 15.00 C ATOM 24 CD1 LEU A 236 -5.745 4.030 -0.649 1.00 15.00 C ATOM 25 CD2 LEU A 236 -6.943 3.368 -2.732 1.00 15.00 C ATOM 0 H LEU A 236 -9.207 5.802 -1.388 1.00 15.00 H new ATOM 0 HA LEU A 236 -9.903 2.963 -1.765 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -8.129 3.940 0.440 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -8.048 2.449 -0.477 1.00 15.00 H new ATOM 0 HG LEU A 236 -7.285 5.152 -1.611 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -4.947 4.447 -1.263 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -5.826 4.600 0.277 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -5.518 2.990 -0.416 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -6.127 3.795 -3.316 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -6.742 2.313 -2.545 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -7.876 3.467 -3.286 1.00 15.00 H new ATOM 37 N PRO A 237 -10.867 2.683 0.698 1.00 15.00 N ATOM 38 CA PRO A 237 -11.505 2.647 2.008 1.00 15.00 C ATOM 39 C PRO A 237 -10.541 3.126 3.073 1.00 15.00 C ATOM 40 O PRO A 237 -9.338 3.260 2.842 1.00 15.00 O ATOM 41 CB PRO A 237 -11.849 1.166 2.224 1.00 15.00 C ATOM 42 CG PRO A 237 -11.660 0.499 0.902 1.00 15.00 C ATOM 43 CD PRO A 237 -10.695 1.344 0.118 1.00 15.00 C ATOM 0 HA PRO A 237 -12.383 3.291 2.065 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -11.202 0.722 2.980 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.875 1.051 2.575 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -11.271 -0.511 1.032 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.610 0.410 0.376 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.670 0.988 0.225 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -10.926 1.335 -0.947 1.00 15.00 H new ATOM 51 N GLU A 238 -11.086 3.389 4.227 1.00 15.00 N ATOM 52 CA GLU A 238 -10.329 3.998 5.307 1.00 15.00 C ATOM 53 C GLU A 238 -9.290 3.033 5.877 1.00 15.00 C ATOM 54 O GLU A 238 -9.536 1.833 6.006 1.00 15.00 O ATOM 55 CB GLU A 238 -11.284 4.457 6.409 1.00 15.00 C ATOM 56 CG GLU A 238 -10.606 5.278 7.490 1.00 15.00 C ATOM 57 CD GLU A 238 -9.834 6.451 6.921 1.00 15.00 C ATOM 58 OE1 GLU A 238 -10.439 7.520 6.704 1.00 15.00 O1- ATOM 59 OE2 GLU A 238 -8.617 6.307 6.681 1.00 15.00 O ATOM 0 H GLU A 238 -12.061 3.192 4.454 1.00 15.00 H new ATOM 0 HA GLU A 238 -9.795 4.859 4.905 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -12.085 5.047 5.963 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -11.748 3.582 6.865 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -11.357 5.645 8.189 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -9.928 4.640 8.056 1.00 15.00 H new ATOM 66 N GLY A 239 -8.135 3.587 6.238 1.00 15.00 N ATOM 67 CA GLY A 239 -7.067 2.797 6.816 1.00 15.00 C ATOM 68 C GLY A 239 -5.972 2.429 5.827 1.00 15.00 C ATOM 69 O GLY A 239 -5.058 1.681 6.171 1.00 15.00 O ATOM 0 H GLY A 239 -7.921 4.579 6.138 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -6.625 3.351 7.644 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -7.489 1.883 7.234 1.00 15.00 H new ATOM 73 N TYR A 240 -6.041 2.953 4.608 1.00 15.00 N ATOM 74 CA TYR A 240 -5.027 2.639 3.602 1.00 15.00 C ATOM 75 C TYR A 240 -4.116 3.824 3.335 1.00 15.00 C ATOM 76 O TYR A 240 -4.551 4.872 2.860 1.00 15.00 O ATOM 77 CB TYR A 240 -5.666 2.172 2.291 1.00 15.00 C ATOM 78 CG TYR A 240 -6.422 0.880 2.438 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.752 -0.303 2.689 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.801 0.848 2.355 1.00 15.00 C ATOM 81 CE1 TYR A 240 -6.439 -1.488 2.854 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.498 -0.326 2.524 1.00 15.00 C ATOM 83 CZ TYR A 240 -7.814 -1.494 2.777 1.00 15.00 C ATOM 84 OH TYR A 240 -8.501 -2.673 2.953 1.00 15.00 O ATOM 0 H TYR A 240 -6.775 3.587 4.294 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.425 1.826 4.007 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -6.343 2.944 1.927 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -4.889 2.049 1.537 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.674 -0.299 2.757 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -8.341 1.761 2.154 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -5.902 -2.406 3.042 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.576 -0.332 2.459 1.00 15.00 H new ATOM 0 HH TYR A 240 -9.463 -2.507 2.869 1.00 15.00 H new ATOM 94 N GLU A 241 -2.850 3.638 3.654 1.00 15.00 N ATOM 95 CA GLU A 241 -1.823 4.616 3.370 1.00 15.00 C ATOM 96 C GLU A 241 -1.222 4.342 1.996 1.00 15.00 C ATOM 97 O GLU A 241 -0.604 3.301 1.773 1.00 15.00 O ATOM 98 CB GLU A 241 -0.744 4.559 4.456 1.00 15.00 C ATOM 99 CG GLU A 241 0.460 5.441 4.185 1.00 15.00 C ATOM 100 CD GLU A 241 1.399 5.519 5.368 1.00 15.00 C ATOM 101 OE1 GLU A 241 2.269 4.641 5.500 1.00 15.00 O ATOM 102 OE2 GLU A 241 1.272 6.464 6.174 1.00 15.00 O1- ATOM 0 H GLU A 241 -2.505 2.799 4.120 1.00 15.00 H new ATOM 0 HA GLU A 241 -2.258 5.616 3.366 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -1.187 4.851 5.408 1.00 15.00 H new ATOM 0 HB3 GLU A 241 -0.408 3.528 4.564 1.00 15.00 H new ATOM 0 HG2 GLU A 241 1.001 5.056 3.321 1.00 15.00 H new ATOM 0 HG3 GLU A 241 0.121 6.444 3.928 1.00 15.00 H new ATOM 109 N GLN A 242 -1.439 5.258 1.067 1.00 15.00 N ATOM 110 CA GLN A 242 -0.921 5.107 -0.284 1.00 15.00 C ATOM 111 C GLN A 242 0.449 5.753 -0.377 1.00 15.00 C ATOM 112 O GLN A 242 0.570 6.980 -0.413 1.00 15.00 O ATOM 113 CB GLN A 242 -1.874 5.742 -1.296 1.00 15.00 C ATOM 114 CG GLN A 242 -1.558 5.417 -2.749 1.00 15.00 C ATOM 115 CD GLN A 242 -2.355 6.267 -3.718 1.00 15.00 C ATOM 116 OE1 GLN A 242 -3.479 6.675 -3.430 1.00 15.00 O ATOM 117 NE2 GLN A 242 -1.773 6.544 -4.872 1.00 15.00 N ATOM 0 H GLN A 242 -1.970 6.115 1.223 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.835 4.045 -0.515 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -2.890 5.413 -1.076 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -1.854 6.824 -1.166 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -0.493 5.567 -2.929 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -1.767 4.364 -2.937 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -0.839 6.186 -5.071 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -2.258 7.116 -5.563 1.00 15.00 H new ATOM 126 N ARG A 243 1.483 4.933 -0.378 1.00 15.00 N ATOM 127 CA ARG A 243 2.839 5.451 -0.380 1.00 15.00 C ATOM 128 C ARG A 243 3.546 5.228 -1.700 1.00 15.00 C ATOM 129 O ARG A 243 3.319 4.243 -2.406 1.00 15.00 O ATOM 130 CB ARG A 243 3.664 4.879 0.770 1.00 15.00 C ATOM 131 CG ARG A 243 3.572 5.726 2.025 1.00 15.00 C ATOM 132 CD ARG A 243 4.475 5.216 3.132 1.00 15.00 C ATOM 133 NE ARG A 243 5.844 4.979 2.672 1.00 15.00 N ATOM 134 CZ ARG A 243 6.929 5.441 3.291 1.00 15.00 C ATOM 135 NH1 ARG A 243 6.808 6.283 4.307 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 8.134 5.082 2.866 1.00 15.00 N ATOM 0 H ARG A 243 1.412 3.915 -0.377 1.00 15.00 H new ATOM 0 HA ARG A 243 2.749 6.528 -0.236 1.00 15.00 H new ATOM 0 HB2 ARG A 243 3.322 3.868 0.991 1.00 15.00 H new ATOM 0 HB3 ARG A 243 4.707 4.802 0.462 1.00 15.00 H new ATOM 0 HG2 ARG A 243 3.840 6.755 1.786 1.00 15.00 H new ATOM 0 HG3 ARG A 243 2.541 5.738 2.377 1.00 15.00 H new ATOM 0 HD2 ARG A 243 4.489 5.939 3.948 1.00 15.00 H new ATOM 0 HD3 ARG A 243 4.064 4.290 3.534 1.00 15.00 H new ATOM 0 HE ARG A 243 5.975 4.426 1.825 1.00 15.00 H new ATOM 0 HH11 ARG A 243 5.882 6.579 4.617 1.00 15.00 H new ATOM 0 HH12 ARG A 243 7.641 6.635 4.779 1.00 15.00 H new ATOM 0 HH21 ARG A 243 8.227 4.454 2.068 1.00 15.00 H new ATOM 0 HH22 ARG A 243 8.967 5.434 3.338 1.00 15.00 H new ATOM 150 N THR A 244 4.440 6.152 -1.980 1.00 15.00 N ATOM 151 CA THR A 244 5.186 6.195 -3.221 1.00 15.00 C ATOM 152 C THR A 244 6.675 6.214 -2.915 1.00 15.00 C ATOM 153 O THR A 244 7.243 7.261 -2.610 1.00 15.00 O ATOM 154 CB THR A 244 4.808 7.443 -4.045 1.00 15.00 C ATOM 155 OG1 THR A 244 4.749 8.592 -3.188 1.00 15.00 O ATOM 156 CG2 THR A 244 3.469 7.257 -4.740 1.00 15.00 C ATOM 0 H THR A 244 4.674 6.910 -1.339 1.00 15.00 H new ATOM 0 HA THR A 244 4.941 5.309 -3.807 1.00 15.00 H new ATOM 0 HB THR A 244 5.573 7.591 -4.807 1.00 15.00 H new ATOM 0 HG1 THR A 244 5.571 8.646 -2.657 1.00 15.00 H new ATOM 0 HG21 THR A 244 3.229 8.153 -5.313 1.00 15.00 H new ATOM 0 HG22 THR A 244 3.524 6.400 -5.412 1.00 15.00 H new ATOM 0 HG23 THR A 244 2.693 7.085 -3.994 1.00 15.00 H new ATOM 164 N THR A 245 7.286 5.050 -2.965 1.00 15.00 N ATOM 165 CA THR A 245 8.679 4.898 -2.587 1.00 15.00 C ATOM 166 C THR A 245 9.604 5.103 -3.779 1.00 15.00 C ATOM 167 O THR A 245 9.218 4.850 -4.924 1.00 15.00 O ATOM 168 CB THR A 245 8.936 3.512 -1.958 1.00 15.00 C ATOM 169 OG1 THR A 245 10.338 3.294 -1.770 1.00 15.00 O ATOM 170 CG2 THR A 245 8.359 2.404 -2.826 1.00 15.00 C ATOM 0 H THR A 245 6.836 4.186 -3.267 1.00 15.00 H new ATOM 0 HA THR A 245 8.896 5.666 -1.845 1.00 15.00 H new ATOM 0 HB THR A 245 8.439 3.492 -0.988 1.00 15.00 H new ATOM 0 HG1 THR A 245 10.481 2.411 -1.369 1.00 15.00 H new ATOM 0 HG21 THR A 245 8.554 1.438 -2.360 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.283 2.546 -2.930 1.00 15.00 H new ATOM 0 HG23 THR A 245 8.826 2.433 -3.811 1.00 15.00 H new ATOM 178 N VAL A 246 10.814 5.591 -3.496 1.00 15.00 N ATOM 179 CA VAL A 246 11.867 5.753 -4.502 1.00 15.00 C ATOM 180 C VAL A 246 12.111 4.465 -5.290 1.00 15.00 C ATOM 181 O VAL A 246 12.700 4.493 -6.371 1.00 15.00 O ATOM 182 CB VAL A 246 13.191 6.203 -3.858 1.00 15.00 C ATOM 183 CG1 VAL A 246 13.108 7.659 -3.420 1.00 15.00 C ATOM 184 CG2 VAL A 246 13.553 5.308 -2.681 1.00 15.00 C ATOM 0 H VAL A 246 11.092 5.886 -2.560 1.00 15.00 H new ATOM 0 HA VAL A 246 11.516 6.523 -5.189 1.00 15.00 H new ATOM 0 HB VAL A 246 13.979 6.115 -4.606 1.00 15.00 H new ATOM 0 HG11 VAL A 246 14.054 7.957 -2.967 1.00 15.00 H new ATOM 0 HG12 VAL A 246 12.906 8.289 -4.286 1.00 15.00 H new ATOM 0 HG13 VAL A 246 12.305 7.775 -2.692 1.00 15.00 H new ATOM 0 HG21 VAL A 246 14.492 5.646 -2.242 1.00 15.00 H new ATOM 0 HG22 VAL A 246 12.764 5.357 -1.931 1.00 15.00 H new ATOM 0 HG23 VAL A 246 13.663 4.280 -3.026 1.00 15.00 H new ATOM 194 N GLN A 247 11.671 3.344 -4.725 1.00 15.00 N ATOM 195 CA GLN A 247 11.634 2.059 -5.427 1.00 15.00 C ATOM 196 C GLN A 247 10.957 2.203 -6.794 1.00 15.00 C ATOM 197 O GLN A 247 11.212 1.428 -7.716 1.00 15.00 O ATOM 198 CB GLN A 247 10.875 1.015 -4.594 1.00 15.00 C ATOM 199 CG GLN A 247 11.748 0.099 -3.741 1.00 15.00 C ATOM 200 CD GLN A 247 12.507 0.798 -2.623 1.00 15.00 C ATOM 201 OE1 GLN A 247 12.863 1.968 -2.721 1.00 15.00 O ATOM 202 NE2 GLN A 247 12.782 0.068 -1.554 1.00 15.00 N ATOM 0 H GLN A 247 11.329 3.298 -3.765 1.00 15.00 H new ATOM 0 HA GLN A 247 12.663 1.730 -5.573 1.00 15.00 H new ATOM 0 HB2 GLN A 247 10.176 1.536 -3.940 1.00 15.00 H new ATOM 0 HB3 GLN A 247 10.281 0.398 -5.269 1.00 15.00 H new ATOM 0 HG2 GLN A 247 11.118 -0.676 -3.304 1.00 15.00 H new ATOM 0 HG3 GLN A 247 12.466 -0.402 -4.390 1.00 15.00 H new ATOM 0 HE21 GLN A 247 12.471 -0.902 -1.505 1.00 15.00 H new ATOM 0 HE22 GLN A 247 13.305 0.476 -0.779 1.00 15.00 H new ATOM 211 N GLY A 248 10.074 3.187 -6.901 1.00 15.00 N ATOM 212 CA GLY A 248 9.407 3.473 -8.162 1.00 15.00 C ATOM 213 C GLY A 248 8.079 2.760 -8.283 1.00 15.00 C ATOM 214 O GLY A 248 7.545 2.598 -9.378 1.00 15.00 O ATOM 0 H GLY A 248 9.804 3.799 -6.131 1.00 15.00 H new ATOM 0 HA2 GLY A 248 9.249 4.548 -8.252 1.00 15.00 H new ATOM 0 HA3 GLY A 248 10.053 3.176 -8.988 1.00 15.00 H new ATOM 218 N GLN A 249 7.539 2.339 -7.150 1.00 15.00 N ATOM 219 CA GLN A 249 6.322 1.538 -7.134 1.00 15.00 C ATOM 220 C GLN A 249 5.362 2.040 -6.069 1.00 15.00 C ATOM 221 O GLN A 249 5.778 2.465 -4.987 1.00 15.00 O ATOM 222 CB GLN A 249 6.662 0.063 -6.875 1.00 15.00 C ATOM 223 CG GLN A 249 8.149 -0.196 -6.756 1.00 15.00 C ATOM 224 CD GLN A 249 8.522 -1.664 -6.660 1.00 15.00 C ATOM 225 OE1 GLN A 249 8.694 -2.342 -7.675 1.00 15.00 O ATOM 226 NE2 GLN A 249 8.695 -2.154 -5.437 1.00 15.00 N ATOM 0 H GLN A 249 7.924 2.539 -6.227 1.00 15.00 H new ATOM 0 HA GLN A 249 5.840 1.629 -8.108 1.00 15.00 H new ATOM 0 HB2 GLN A 249 6.169 -0.261 -5.958 1.00 15.00 H new ATOM 0 HB3 GLN A 249 6.258 -0.544 -7.686 1.00 15.00 H new ATOM 0 HG2 GLN A 249 8.652 0.239 -7.620 1.00 15.00 H new ATOM 0 HG3 GLN A 249 8.526 0.321 -5.874 1.00 15.00 H new ATOM 0 HE21 GLN A 249 8.542 -1.559 -4.623 1.00 15.00 H new ATOM 0 HE22 GLN A 249 8.981 -3.125 -5.312 1.00 15.00 H new ATOM 235 N VAL A 250 4.080 1.966 -6.380 1.00 15.00 N ATOM 236 CA VAL A 250 3.035 2.336 -5.435 1.00 15.00 C ATOM 237 C VAL A 250 2.629 1.119 -4.618 1.00 15.00 C ATOM 238 O VAL A 250 2.591 0.005 -5.136 1.00 15.00 O ATOM 239 CB VAL A 250 1.786 2.914 -6.143 1.00 15.00 C ATOM 240 CG1 VAL A 250 2.096 4.257 -6.780 1.00 15.00 C ATOM 241 CG2 VAL A 250 1.252 1.945 -7.189 1.00 15.00 C ATOM 0 H VAL A 250 3.733 1.651 -7.286 1.00 15.00 H new ATOM 0 HA VAL A 250 3.441 3.112 -4.786 1.00 15.00 H new ATOM 0 HB VAL A 250 1.016 3.060 -5.386 1.00 15.00 H new ATOM 0 HG11 VAL A 250 1.202 4.642 -7.271 1.00 15.00 H new ATOM 0 HG12 VAL A 250 2.418 4.959 -6.011 1.00 15.00 H new ATOM 0 HG13 VAL A 250 2.891 4.136 -7.516 1.00 15.00 H new ATOM 0 HG21 VAL A 250 0.375 2.377 -7.671 1.00 15.00 H new ATOM 0 HG22 VAL A 250 2.022 1.757 -7.938 1.00 15.00 H new ATOM 0 HG23 VAL A 250 0.977 1.006 -6.708 1.00 15.00 H new ATOM 251 N TYR A 251 2.348 1.321 -3.343 1.00 15.00 N ATOM 252 CA TYR A 251 1.965 0.216 -2.486 1.00 15.00 C ATOM 253 C TYR A 251 0.992 0.681 -1.411 1.00 15.00 C ATOM 254 O TYR A 251 1.107 1.797 -0.893 1.00 15.00 O ATOM 255 CB TYR A 251 3.221 -0.452 -1.903 1.00 15.00 C ATOM 256 CG TYR A 251 4.063 0.380 -0.945 1.00 15.00 C ATOM 257 CD1 TYR A 251 3.611 0.737 0.324 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.346 0.769 -1.306 1.00 15.00 C ATOM 259 CE1 TYR A 251 4.408 1.459 1.189 1.00 15.00 C ATOM 260 CE2 TYR A 251 6.148 1.481 -0.441 1.00 15.00 C ATOM 261 CZ TYR A 251 5.678 1.825 0.802 1.00 15.00 C ATOM 262 OH TYR A 251 6.484 2.532 1.663 1.00 15.00 O ATOM 0 H TYR A 251 2.377 2.231 -2.883 1.00 15.00 H new ATOM 0 HA TYR A 251 1.439 -0.537 -3.074 1.00 15.00 H new ATOM 0 HB2 TYR A 251 2.912 -1.359 -1.383 1.00 15.00 H new ATOM 0 HB3 TYR A 251 3.857 -0.761 -2.733 1.00 15.00 H new ATOM 0 HD1 TYR A 251 2.620 0.444 0.636 1.00 15.00 H new ATOM 0 HD2 TYR A 251 5.723 0.508 -2.284 1.00 15.00 H new ATOM 0 HE1 TYR A 251 4.037 1.736 2.165 1.00 15.00 H new ATOM 0 HE2 TYR A 251 7.145 1.768 -0.741 1.00 15.00 H new ATOM 0 HH TYR A 251 7.347 2.708 1.233 1.00 15.00 H new ATOM 272 N PHE A 252 0.027 -0.174 -1.095 1.00 15.00 N ATOM 273 CA PHE A 252 -1.024 0.177 -0.154 1.00 15.00 C ATOM 274 C PHE A 252 -0.738 -0.355 1.236 1.00 15.00 C ATOM 275 O PHE A 252 -0.614 -1.563 1.448 1.00 15.00 O ATOM 276 CB PHE A 252 -2.377 -0.309 -0.671 1.00 15.00 C ATOM 277 CG PHE A 252 -2.838 0.529 -1.830 1.00 15.00 C ATOM 278 CD1 PHE A 252 -2.911 1.904 -1.694 1.00 15.00 C ATOM 279 CD2 PHE A 252 -3.149 -0.034 -3.062 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.278 2.702 -2.755 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.529 0.763 -4.125 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.589 2.137 -3.970 1.00 15.00 C ATOM 0 H PHE A 252 -0.048 -1.116 -1.478 1.00 15.00 H new ATOM 0 HA PHE A 252 -1.055 1.263 -0.072 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -2.301 -1.352 -0.978 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -3.114 -0.266 0.131 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -2.677 2.358 -0.742 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -3.093 -1.105 -3.190 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.322 3.774 -2.633 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -3.779 0.314 -5.075 1.00 15.00 H new ATOM 0 HZ PHE A 252 -3.879 2.764 -4.800 1.00 15.00 H new ATOM 292 N LEU A 253 -0.635 0.573 2.174 1.00 15.00 N ATOM 293 CA LEU A 253 -0.314 0.258 3.551 1.00 15.00 C ATOM 294 C LEU A 253 -1.534 0.339 4.453 1.00 15.00 C ATOM 295 O LEU A 253 -1.994 1.423 4.799 1.00 15.00 O ATOM 296 CB LEU A 253 0.742 1.227 4.072 1.00 15.00 C ATOM 297 CG LEU A 253 2.132 0.649 4.291 1.00 15.00 C ATOM 298 CD1 LEU A 253 3.085 1.755 4.665 1.00 15.00 C ATOM 299 CD2 LEU A 253 2.108 -0.392 5.386 1.00 15.00 C ATOM 0 H LEU A 253 -0.773 1.568 1.998 1.00 15.00 H new ATOM 0 HA LEU A 253 0.061 -0.765 3.568 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.822 2.057 3.370 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.390 1.642 5.017 1.00 15.00 H new ATOM 0 HG LEU A 253 2.463 0.175 3.367 1.00 15.00 H new ATOM 0 HD11 LEU A 253 4.081 1.340 4.822 1.00 15.00 H new ATOM 0 HD12 LEU A 253 3.121 2.491 3.862 1.00 15.00 H new ATOM 0 HD13 LEU A 253 2.744 2.235 5.582 1.00 15.00 H new ATOM 0 HD21 LEU A 253 3.111 -0.794 5.528 1.00 15.00 H new ATOM 0 HD22 LEU A 253 1.765 0.064 6.315 1.00 15.00 H new ATOM 0 HD23 LEU A 253 1.430 -1.199 5.106 1.00 15.00 H new ATOM 311 N HIS A 254 -2.077 -0.800 4.813 1.00 15.00 N ATOM 312 CA HIS A 254 -3.063 -0.851 5.875 1.00 15.00 C ATOM 313 C HIS A 254 -2.464 -1.604 7.028 1.00 15.00 C ATOM 314 O HIS A 254 -2.564 -2.834 7.087 1.00 15.00 O ATOM 315 CB HIS A 254 -4.364 -1.539 5.434 1.00 15.00 C ATOM 316 CG HIS A 254 -5.341 -1.794 6.550 1.00 15.00 C ATOM 317 ND1 HIS A 254 -5.499 -3.030 7.138 1.00 15.00 N ATOM 318 CD2 HIS A 254 -6.204 -0.969 7.185 1.00 15.00 C ATOM 319 CE1 HIS A 254 -6.407 -2.952 8.093 1.00 15.00 C ATOM 320 NE2 HIS A 254 -6.855 -1.711 8.139 1.00 15.00 N ATOM 0 H HIS A 254 -1.856 -1.702 4.391 1.00 15.00 H new ATOM 0 HA HIS A 254 -3.322 0.170 6.156 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.848 -0.922 4.677 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -4.116 -2.489 4.960 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -6.354 0.081 6.979 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -6.728 -3.764 8.728 1.00 15.00 H new ATOM 0 HE2 HIS A 254 -7.568 -1.361 8.779 1.00 15.00 H new ATOM 329 N THR A 255 -1.800 -0.923 7.938 1.00 15.00 N ATOM 330 CA THR A 255 -1.230 -1.675 9.015 1.00 15.00 C ATOM 331 C THR A 255 -2.206 -1.723 10.169 1.00 15.00 C ATOM 332 O THR A 255 -2.214 -0.868 11.050 1.00 15.00 O ATOM 333 CB THR A 255 0.098 -1.053 9.494 1.00 15.00 C ATOM 334 OG1 THR A 255 0.956 -0.826 8.372 1.00 15.00 O ATOM 335 CG2 THR A 255 0.801 -1.964 10.492 1.00 15.00 C ATOM 0 H THR A 255 -1.651 0.086 7.952 1.00 15.00 H new ATOM 0 HA THR A 255 -1.025 -2.683 8.654 1.00 15.00 H new ATOM 0 HB THR A 255 -0.127 -0.107 9.987 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.798 -0.429 8.679 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.734 -1.501 10.813 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.157 -2.121 11.358 1.00 15.00 H new ATOM 0 HG23 THR A 255 1.015 -2.923 10.021 1.00 15.00 H new ATOM 343 N GLN A 256 -3.062 -2.722 10.103 1.00 15.00 N ATOM 344 CA GLN A 256 -3.647 -3.357 11.254 1.00 15.00 C ATOM 345 C GLN A 256 -2.889 -4.647 11.454 1.00 15.00 C ATOM 346 O GLN A 256 -2.351 -4.946 12.516 1.00 15.00 O ATOM 347 CB GLN A 256 -5.135 -3.621 11.032 1.00 15.00 C ATOM 348 CG GLN A 256 -5.833 -4.218 12.236 1.00 15.00 C ATOM 349 CD GLN A 256 -7.319 -4.403 12.022 1.00 15.00 C ATOM 350 OE1 GLN A 256 -7.779 -4.624 10.899 1.00 15.00 O ATOM 351 NE2 GLN A 256 -8.079 -4.307 13.100 1.00 15.00 N ATOM 0 H GLN A 256 -3.376 -3.122 9.219 1.00 15.00 H new ATOM 0 HA GLN A 256 -3.576 -2.721 12.136 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -5.625 -2.685 10.766 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -5.253 -4.295 10.183 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -5.382 -5.182 12.470 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -5.673 -3.573 13.100 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -7.654 -4.123 14.009 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -9.090 -4.417 13.023 1.00 15.00 H new ATOM 360 N THR A 257 -2.863 -5.392 10.349 1.00 15.00 N ATOM 361 CA THR A 257 -2.227 -6.686 10.262 1.00 15.00 C ATOM 362 C THR A 257 -0.859 -6.589 9.694 1.00 15.00 C ATOM 363 O THR A 257 -0.015 -7.484 9.734 1.00 15.00 O ATOM 364 CB THR A 257 -3.099 -7.697 9.499 1.00 15.00 C ATOM 365 OG1 THR A 257 -3.322 -7.225 8.162 1.00 15.00 O ATOM 366 CG2 THR A 257 -4.445 -7.876 10.183 1.00 15.00 C ATOM 0 H THR A 257 -3.297 -5.096 9.474 1.00 15.00 H new ATOM 0 HA THR A 257 -2.120 -7.063 11.279 1.00 15.00 H new ATOM 0 HB THR A 257 -2.577 -8.654 9.483 1.00 15.00 H new ATOM 0 HG1 THR A 257 -3.876 -7.870 7.675 1.00 15.00 H new ATOM 0 HG21 THR A 257 -5.044 -8.596 9.625 1.00 15.00 H new ATOM 0 HG22 THR A 257 -4.291 -8.242 11.198 1.00 15.00 H new ATOM 0 HG23 THR A 257 -4.966 -6.919 10.217 1.00 15.00 H new ATOM 374 N GLY A 258 -0.728 -5.462 9.190 1.00 15.00 N ATOM 375 CA GLY A 258 0.410 -5.062 8.389 1.00 15.00 C ATOM 376 C GLY A 258 0.235 -5.390 6.918 1.00 15.00 C ATOM 377 O GLY A 258 0.856 -6.318 6.407 1.00 15.00 O ATOM 0 H GLY A 258 -1.421 -4.723 9.304 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.569 -3.990 8.501 1.00 15.00 H new ATOM 0 HA3 GLY A 258 1.305 -5.558 8.764 1.00 15.00 H new ATOM 381 N VAL A 259 -0.624 -4.642 6.238 1.00 15.00 N ATOM 382 CA VAL A 259 -0.804 -4.823 4.794 1.00 15.00 C ATOM 383 C VAL A 259 0.141 -3.954 3.980 1.00 15.00 C ATOM 384 O VAL A 259 0.199 -2.738 4.144 1.00 15.00 O ATOM 385 CB VAL A 259 -2.253 -4.540 4.316 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.324 -4.478 2.795 1.00 15.00 C ATOM 387 CG2 VAL A 259 -3.180 -5.624 4.817 1.00 15.00 C ATOM 0 H VAL A 259 -1.203 -3.911 6.652 1.00 15.00 H new ATOM 0 HA VAL A 259 -0.577 -5.876 4.625 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.561 -3.575 4.719 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.350 -4.279 2.486 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -1.675 -3.681 2.433 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -1.998 -5.430 2.376 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -4.196 -5.420 4.478 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -2.855 -6.589 4.428 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -3.159 -5.646 5.907 1.00 15.00 H new ATOM 397 N SER A 260 0.875 -4.623 3.113 1.00 15.00 N ATOM 398 CA SER A 260 1.640 -3.980 2.052 1.00 15.00 C ATOM 399 C SER A 260 1.354 -4.724 0.761 1.00 15.00 C ATOM 400 O SER A 260 1.861 -5.826 0.552 1.00 15.00 O ATOM 401 CB SER A 260 3.148 -3.987 2.346 1.00 15.00 C ATOM 402 OG SER A 260 3.549 -5.224 2.915 1.00 15.00 O ATOM 0 H SER A 260 0.961 -5.639 3.122 1.00 15.00 H new ATOM 0 HA SER A 260 1.341 -2.935 1.976 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.703 -3.810 1.425 1.00 15.00 H new ATOM 0 HB3 SER A 260 3.393 -3.172 3.028 1.00 15.00 H new ATOM 0 HG SER A 260 3.158 -5.962 2.402 1.00 15.00 H new ATOM 408 N THR A 261 0.505 -4.158 -0.075 1.00 15.00 N ATOM 409 CA THR A 261 -0.004 -4.885 -1.220 1.00 15.00 C ATOM 410 C THR A 261 0.081 -4.074 -2.505 1.00 15.00 C ATOM 411 O THR A 261 0.031 -2.839 -2.487 1.00 15.00 O ATOM 412 CB THR A 261 -1.460 -5.333 -0.984 1.00 15.00 C ATOM 413 OG1 THR A 261 -1.896 -6.154 -2.068 1.00 15.00 O ATOM 414 CG2 THR A 261 -2.393 -4.139 -0.836 1.00 15.00 C ATOM 0 H THR A 261 0.156 -3.204 0.016 1.00 15.00 H new ATOM 0 HA THR A 261 0.630 -5.764 -1.337 1.00 15.00 H new ATOM 0 HB THR A 261 -1.490 -5.903 -0.055 1.00 15.00 H new ATOM 0 HG1 THR A 261 -1.840 -7.097 -1.807 1.00 15.00 H new ATOM 0 HG21 THR A 261 -3.411 -4.491 -0.671 1.00 15.00 H new ATOM 0 HG22 THR A 261 -2.077 -3.533 0.013 1.00 15.00 H new ATOM 0 HG23 THR A 261 -2.360 -3.537 -1.744 1.00 15.00 H new ATOM 422 N TRP A 262 0.237 -4.788 -3.612 1.00 15.00 N ATOM 423 CA TRP A 262 0.270 -4.180 -4.930 1.00 15.00 C ATOM 424 C TRP A 262 -1.133 -3.833 -5.412 1.00 15.00 C ATOM 425 O TRP A 262 -1.307 -2.957 -6.260 1.00 15.00 O ATOM 426 CB TRP A 262 0.901 -5.127 -5.947 1.00 15.00 C ATOM 427 CG TRP A 262 2.375 -5.324 -5.801 1.00 15.00 C ATOM 428 CD1 TRP A 262 3.028 -6.477 -5.490 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.382 -4.339 -5.873 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.356 -6.312 -5.523 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.607 -5.015 -5.719 1.00 15.00 C ATOM 432 CE3 TRP A 262 3.393 -2.962 -6.084 1.00 15.00 C ATOM 433 CZ2 TRP A 262 5.798 -4.384 -5.760 1.00 15.00 C ATOM 434 CZ3 TRP A 262 4.610 -2.333 -6.076 1.00 15.00 C ATOM 435 CH2 TRP A 262 5.778 -3.067 -5.917 1.00 15.00 C ATOM 0 H TRP A 262 0.344 -5.802 -3.619 1.00 15.00 H new ATOM 0 HA TRP A 262 0.864 -3.270 -4.846 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.411 -6.098 -5.869 1.00 15.00 H new ATOM 0 HB3 TRP A 262 0.698 -4.747 -6.948 1.00 15.00 H new ATOM 0 HD1 TRP A 262 2.537 -7.408 -5.247 1.00 15.00 H new ATOM 0 HE1 TRP A 262 5.054 -7.048 -5.417 1.00 15.00 H new ATOM 0 HE3 TRP A 262 2.478 -2.412 -6.247 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.727 -4.927 -5.669 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 4.661 -1.261 -6.194 1.00 15.00 H new ATOM 0 HH2 TRP A 262 6.719 -2.538 -5.921 1.00 15.00 H new ATOM 446 N HIS A 263 -2.132 -4.546 -4.905 1.00 15.00 N ATOM 447 CA HIS A 263 -3.493 -4.358 -5.387 1.00 15.00 C ATOM 448 C HIS A 263 -4.191 -3.276 -4.580 1.00 15.00 C ATOM 449 O HIS A 263 -4.144 -3.280 -3.349 1.00 15.00 O ATOM 450 CB HIS A 263 -4.305 -5.676 -5.348 1.00 15.00 C ATOM 451 CG HIS A 263 -4.964 -5.999 -4.028 1.00 15.00 C ATOM 452 ND1 HIS A 263 -6.224 -5.545 -3.680 1.00 15.00 N ATOM 453 CD2 HIS A 263 -4.536 -6.735 -2.976 1.00 15.00 C ATOM 454 CE1 HIS A 263 -6.528 -5.985 -2.473 1.00 15.00 C ATOM 455 NE2 HIS A 263 -5.524 -6.709 -2.029 1.00 15.00 N ATOM 0 H HIS A 263 -2.028 -5.248 -4.172 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.436 -4.043 -6.429 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -5.076 -5.629 -6.117 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.641 -6.499 -5.613 1.00 15.00 H new ATOM 0 HD1 HIS A 263 -6.824 -4.962 -4.264 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -3.589 -7.248 -2.898 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -7.446 -5.784 -1.940 1.00 15.00 H new ATOM 464 N ASP A 264 -4.818 -2.344 -5.279 1.00 15.00 N ATOM 465 CA ASP A 264 -5.697 -1.382 -4.634 1.00 15.00 C ATOM 466 C ASP A 264 -6.759 -2.163 -3.876 1.00 15.00 C ATOM 467 O ASP A 264 -7.408 -3.030 -4.436 1.00 15.00 O ATOM 468 CB ASP A 264 -6.333 -0.458 -5.684 1.00 15.00 C ATOM 469 CG ASP A 264 -7.085 0.717 -5.086 1.00 15.00 C ATOM 470 OD1 ASP A 264 -7.849 0.518 -4.121 1.00 15.00 O ATOM 471 OD2 ASP A 264 -6.932 1.844 -5.609 1.00 15.00 O1- ATOM 0 H ASP A 264 -4.735 -2.233 -6.290 1.00 15.00 H new ATOM 0 HA ASP A 264 -5.139 -0.751 -3.943 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.552 -0.080 -6.344 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -7.017 -1.040 -6.301 1.00 15.00 H new ATOM 476 N PRO A 265 -6.922 -1.927 -2.584 1.00 15.00 N ATOM 477 CA PRO A 265 -7.858 -2.696 -1.777 1.00 15.00 C ATOM 478 C PRO A 265 -9.301 -2.386 -2.108 1.00 15.00 C ATOM 479 O PRO A 265 -10.216 -3.108 -1.708 1.00 15.00 O ATOM 480 CB PRO A 265 -7.509 -2.317 -0.339 1.00 15.00 C ATOM 481 CG PRO A 265 -6.220 -1.560 -0.432 1.00 15.00 C ATOM 482 CD PRO A 265 -6.210 -0.929 -1.788 1.00 15.00 C ATOM 0 HA PRO A 265 -7.768 -3.767 -1.960 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -8.293 -1.706 0.108 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -7.401 -3.203 0.286 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -6.154 -0.804 0.351 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -5.366 -2.226 -0.305 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.716 0.036 -1.794 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -5.197 -0.760 -2.154 1.00 15.00 H new ATOM 490 N ARG A 266 -9.496 -1.298 -2.817 1.00 15.00 N ATOM 491 CA ARG A 266 -10.799 -0.952 -3.330 1.00 15.00 C ATOM 492 C ARG A 266 -11.104 -1.827 -4.531 1.00 15.00 C ATOM 493 O ARG A 266 -12.233 -1.880 -5.022 1.00 15.00 O ATOM 494 CB ARG A 266 -10.797 0.508 -3.727 1.00 15.00 C ATOM 495 CG ARG A 266 -12.178 1.107 -3.920 1.00 15.00 C ATOM 496 CD ARG A 266 -12.977 1.151 -2.628 1.00 15.00 C ATOM 497 NE ARG A 266 -14.344 1.611 -2.864 1.00 15.00 N ATOM 498 CZ ARG A 266 -15.203 1.959 -1.910 1.00 15.00 C ATOM 499 NH1 ARG A 266 -14.852 1.915 -0.630 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -16.420 2.358 -2.248 1.00 15.00 N ATOM 0 H ARG A 266 -8.760 -0.632 -3.053 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.564 -1.113 -2.571 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -10.270 1.079 -2.963 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -10.233 0.619 -4.653 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -12.080 2.117 -4.318 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -12.724 0.523 -4.662 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -12.998 0.159 -2.177 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -12.486 1.815 -1.916 1.00 15.00 H new ATOM 0 HE ARG A 266 -14.663 1.669 -3.831 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -13.914 1.612 -0.369 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -15.520 2.185 0.092 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -16.690 2.396 -3.231 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -17.087 2.627 -1.525 1.00 15.00 H new ATOM 514 N ILE A 267 -10.075 -2.509 -5.001 1.00 15.00 N ATOM 515 CA ILE A 267 -10.225 -3.419 -6.139 1.00 15.00 C ATOM 516 C ILE A 267 -9.873 -4.858 -5.755 1.00 15.00 C ATOM 517 O ILE A 267 -8.696 -5.154 -5.462 1.00 15.00 O ATOM 518 CB ILE A 267 -9.444 -2.979 -7.415 1.00 15.00 C ATOM 519 CG1 ILE A 267 -7.938 -2.794 -7.169 1.00 15.00 C ATOM 520 CG2 ILE A 267 -10.042 -1.694 -7.970 1.00 15.00 C ATOM 521 CD1 ILE A 267 -7.137 -2.599 -8.439 1.00 15.00 C ATOM 522 OXT ILE A 267 -10.801 -5.696 -5.731 1.00 15.00 O ATOM 0 H ILE A 267 -9.130 -2.456 -4.621 1.00 15.00 H new ATOM 0 HA ILE A 267 -11.281 -3.372 -6.405 1.00 15.00 H new ATOM 0 HB ILE A 267 -9.546 -3.786 -8.141 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -7.788 -1.933 -6.518 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -7.555 -3.665 -6.638 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -9.492 -1.392 -8.861 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -11.088 -1.861 -8.228 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -9.975 -0.907 -7.218 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -6.083 -2.475 -8.189 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -7.257 -3.471 -9.082 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -7.493 -1.711 -8.961 1.00 15.00 H new TER 534 ILE A 267 ATOM 535 N SER B 210 8.884 3.275 12.308 1.00 15.00 N ATOM 536 CA SER B 210 9.256 4.444 11.486 1.00 15.00 C ATOM 537 C SER B 210 9.571 4.033 10.047 1.00 15.00 C ATOM 538 O SER B 210 9.820 4.884 9.191 1.00 15.00 O ATOM 539 CB SER B 210 10.464 5.145 12.110 1.00 15.00 C ATOM 540 OG SER B 210 10.213 5.475 13.468 1.00 15.00 O ATOM 0 HA SER B 210 8.409 5.130 11.459 1.00 15.00 H new ATOM 0 HB2 SER B 210 11.339 4.498 12.045 1.00 15.00 H new ATOM 0 HB3 SER B 210 10.694 6.050 11.548 1.00 15.00 H new ATOM 0 HG SER B 210 9.746 4.732 13.904 1.00 15.00 H new ATOM 548 N ASP B 211 9.553 2.732 9.775 1.00 15.00 N ATOM 549 CA ASP B 211 9.858 2.232 8.438 1.00 15.00 C ATOM 550 C ASP B 211 8.825 1.204 8.005 1.00 15.00 C ATOM 551 O ASP B 211 8.661 0.170 8.655 1.00 15.00 O ATOM 552 CB ASP B 211 11.243 1.578 8.387 1.00 15.00 C ATOM 553 CG ASP B 211 12.369 2.508 8.781 1.00 15.00 C ATOM 554 OD1 ASP B 211 12.904 3.217 7.905 1.00 15.00 O1- ATOM 555 OD2 ASP B 211 12.750 2.503 9.968 1.00 15.00 O ATOM 0 H ASP B 211 9.332 2.008 10.458 1.00 15.00 H new ATOM 0 HA ASP B 211 9.841 3.089 7.764 1.00 15.00 H new ATOM 0 HB2 ASP B 211 11.251 0.712 9.049 1.00 15.00 H new ATOM 0 HB3 ASP B 211 11.424 1.210 7.377 1.00 15.00 H new ATOM 560 N PRO B 212 8.109 1.467 6.908 1.00 15.00 N ATOM 561 CA PRO B 212 7.186 0.507 6.323 1.00 15.00 C ATOM 562 C PRO B 212 7.878 -0.380 5.299 1.00 15.00 C ATOM 563 O PRO B 212 8.919 -0.017 4.749 1.00 15.00 O ATOM 564 CB PRO B 212 6.149 1.389 5.622 1.00 15.00 C ATOM 565 CG PRO B 212 6.645 2.799 5.715 1.00 15.00 C ATOM 566 CD PRO B 212 8.080 2.733 6.173 1.00 15.00 C ATOM 0 HA PRO B 212 6.763 -0.163 7.071 1.00 15.00 H new ATOM 0 HB2 PRO B 212 6.028 1.090 4.581 1.00 15.00 H new ATOM 0 HB3 PRO B 212 5.173 1.290 6.098 1.00 15.00 H new ATOM 0 HG2 PRO B 212 6.571 3.298 4.749 1.00 15.00 H new ATOM 0 HG3 PRO B 212 6.042 3.374 6.418 1.00 15.00 H new ATOM 0 HD2 PRO B 212 8.776 2.733 5.334 1.00 15.00 H new ATOM 0 HD3 PRO B 212 8.345 3.579 6.807 1.00 15.00 H new ATOM 574 N GLY B 213 7.276 -1.520 5.012 1.00 15.00 N ATOM 575 CA GLY B 213 7.883 -2.454 4.095 1.00 15.00 C ATOM 576 C GLY B 213 7.467 -2.203 2.664 1.00 15.00 C ATOM 577 O GLY B 213 6.351 -1.749 2.397 1.00 15.00 O ATOM 0 H GLY B 213 6.379 -1.815 5.397 1.00 15.00 H new ATOM 0 HA2 GLY B 213 8.968 -2.384 4.173 1.00 15.00 H new ATOM 0 HA3 GLY B 213 7.608 -3.470 4.379 1.00 15.00 H new HETATM 581 N SEP B 214 8.377 -2.474 1.751 1.00 15.00 N HETATM 582 CA SEP B 214 8.122 -2.324 0.334 1.00 15.00 C HETATM 583 CB SEP B 214 9.404 -1.912 -0.406 1.00 15.00 C HETATM 584 OG SEP B 214 10.534 -2.591 0.111 1.00 15.00 O HETATM 585 C SEP B 214 7.562 -3.621 -0.243 1.00 15.00 C HETATM 586 O SEP B 214 7.728 -4.695 0.340 1.00 15.00 O HETATM 587 P SEP B 214 11.507 -3.534 -0.779 1.00 15.00 P HETATM 588 O1P SEP B 214 12.364 -2.671 -1.602 1.00 15.00 O HETATM 589 O2P SEP B 214 10.692 -4.405 -1.624 1.00 15.00 O HETATM 590 O3P SEP B 214 12.328 -4.331 0.140 1.00 15.00 O HETATM 0 HB3 SEP B 214 9.300 -2.131 -1.469 1.00 15.00 H new HETATM 0 HB2 SEP B 214 9.550 -0.836 -0.315 1.00 15.00 H new HETATM 0 HA SEP B 214 7.382 -1.536 0.197 1.00 15.00 H new HETATM 0 H SEP B 214 9.313 -2.308 2.121 1.00 15.00 H new ATOM 595 N PRO B 215 6.909 -3.535 -1.404 1.00 15.00 N ATOM 596 CA PRO B 215 6.365 -4.701 -2.103 1.00 15.00 C ATOM 597 C PRO B 215 7.404 -5.318 -3.030 1.00 15.00 C ATOM 598 O PRO B 215 8.123 -4.608 -3.736 1.00 15.00 O ATOM 599 CB PRO B 215 5.302 -4.089 -3.019 1.00 15.00 C ATOM 600 CG PRO B 215 5.183 -2.666 -2.629 1.00 15.00 C ATOM 601 CD PRO B 215 6.502 -2.291 -2.041 1.00 15.00 C ATOM 0 HA PRO B 215 6.020 -5.461 -1.402 1.00 15.00 H new ATOM 0 HB2 PRO B 215 5.591 -4.182 -4.066 1.00 15.00 H new ATOM 0 HB3 PRO B 215 4.348 -4.604 -2.905 1.00 15.00 H new ATOM 0 HG2 PRO B 215 4.949 -2.043 -3.492 1.00 15.00 H new ATOM 0 HG3 PRO B 215 4.379 -2.525 -1.907 1.00 15.00 H new ATOM 0 HD2 PRO B 215 7.213 -1.970 -2.803 1.00 15.00 H new ATOM 0 HD3 PRO B 215 6.413 -1.475 -1.324 1.00 15.00 H new ATOM 609 N PHE B 216 7.460 -6.635 -3.047 1.00 15.00 N ATOM 610 CA PHE B 216 8.432 -7.335 -3.865 1.00 15.00 C ATOM 611 C PHE B 216 7.851 -7.614 -5.243 1.00 15.00 C ATOM 612 O PHE B 216 6.866 -8.340 -5.381 1.00 15.00 O ATOM 613 CB PHE B 216 8.841 -8.648 -3.193 1.00 15.00 C ATOM 614 CG PHE B 216 9.334 -8.472 -1.785 1.00 15.00 C ATOM 615 CD1 PHE B 216 10.652 -8.135 -1.535 1.00 15.00 C ATOM 616 CD2 PHE B 216 8.475 -8.643 -0.710 1.00 15.00 C ATOM 617 CE1 PHE B 216 11.108 -7.972 -0.241 1.00 15.00 C ATOM 618 CE2 PHE B 216 8.924 -8.481 0.585 1.00 15.00 C ATOM 619 CZ PHE B 216 10.242 -8.147 0.819 1.00 15.00 C ATOM 0 H PHE B 216 6.845 -7.242 -2.505 1.00 15.00 H new ATOM 0 HA PHE B 216 9.316 -6.706 -3.974 1.00 15.00 H new ATOM 0 HB2 PHE B 216 7.988 -9.326 -3.189 1.00 15.00 H new ATOM 0 HB3 PHE B 216 9.622 -9.123 -3.786 1.00 15.00 H new ATOM 0 HD1 PHE B 216 11.333 -7.998 -2.362 1.00 15.00 H new ATOM 0 HD2 PHE B 216 7.443 -8.906 -0.888 1.00 15.00 H new ATOM 0 HE1 PHE B 216 12.139 -7.708 -0.060 1.00 15.00 H new ATOM 0 HE2 PHE B 216 8.245 -8.615 1.414 1.00 15.00 H new ATOM 0 HZ PHE B 216 10.596 -8.023 1.832 1.00 15.00 H new ATOM 629 N GLN B 217 8.450 -7.017 -6.261 1.00 15.00 N ATOM 630 CA GLN B 217 7.997 -7.212 -7.630 1.00 15.00 C ATOM 631 C GLN B 217 9.160 -7.665 -8.491 1.00 15.00 C ATOM 632 O GLN B 217 10.025 -6.822 -8.815 1.00 15.00 O ATOM 633 CB GLN B 217 7.387 -5.927 -8.192 1.00 15.00 C ATOM 634 CG GLN B 217 6.642 -6.131 -9.502 1.00 15.00 C ATOM 635 CD GLN B 217 5.912 -4.882 -9.957 1.00 15.00 C ATOM 636 OE1 GLN B 217 4.756 -4.656 -9.595 1.00 15.00 O ATOM 637 NE2 GLN B 217 6.570 -4.071 -10.769 1.00 15.00 N ATOM 638 OXT GLN B 217 9.222 -8.869 -8.808 1.00 15.00 O ATOM 0 H GLN B 217 9.251 -6.393 -6.166 1.00 15.00 H new ATOM 0 HA GLN B 217 7.224 -7.980 -7.636 1.00 15.00 H new ATOM 0 HB2 GLN B 217 6.702 -5.507 -7.455 1.00 15.00 H new ATOM 0 HB3 GLN B 217 8.180 -5.194 -8.344 1.00 15.00 H new ATOM 0 HG2 GLN B 217 7.348 -6.436 -10.274 1.00 15.00 H new ATOM 0 HG3 GLN B 217 5.926 -6.944 -9.386 1.00 15.00 H new ATOM 0 HE21 GLN B 217 7.526 -4.293 -11.046 1.00 15.00 H new ATOM 0 HE22 GLN B 217 6.121 -3.224 -11.118 1.00 15.00 H new TER 647 GLN B 217