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 147:sc= -0.681 USER MOD Set 1.2: A 263 HIS : no HE2:sc= 0.418 K(o=-0.26,f=-3!) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= -0.679 K(o=-0.68,f=-1.8) USER MOD Single : A 244 THR OG1 : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 177:sc= 0.611 USER MOD Single : A 247 GLN : amide:sc= -2.1 K(o=-2.1,f=-9.9!) USER MOD Single : A 249 GLN : amide:sc= -4.54! C(o=-4.5!,f=-3.1!) USER MOD Single : A 251 TYR OH : rot 180:sc= 0.899 USER MOD Single : A 254 HIS : no HD1:sc= -0.958 K(o=-0.96,f=-0.38) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 GLN : amide:sc= -0.622 K(o=-0.62,f=-4.6!) USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : B 210 SER OG : rot 24:sc= 0.24 USER MOD Single : B 217 GLN : amide:sc= 0.286 K(o=0.29,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 -10.008 7.485 -2.991 1.00 15.00 N ATOM 2 CA GLU A 235 -11.379 6.923 -2.924 1.00 15.00 C ATOM 3 C GLU A 235 -11.349 5.481 -2.437 1.00 15.00 C ATOM 4 O GLU A 235 -12.143 4.647 -2.873 1.00 15.00 O ATOM 5 CB GLU A 235 -12.066 6.983 -4.299 1.00 15.00 C ATOM 6 CG GLU A 235 -12.243 8.384 -4.863 1.00 15.00 C ATOM 7 CD GLU A 235 -10.967 8.949 -5.451 1.00 15.00 C ATOM 8 OE1 GLU A 235 -10.181 9.550 -4.695 1.00 15.00 O ATOM 9 OE2 GLU A 235 -10.745 8.787 -6.669 1.00 15.00 O1- ATOM 0 HA GLU A 235 -11.947 7.528 -2.217 1.00 15.00 H new ATOM 0 HB2 GLU A 235 -11.484 6.393 -5.006 1.00 15.00 H new ATOM 0 HB3 GLU A 235 -13.046 6.512 -4.221 1.00 15.00 H new ATOM 0 HG2 GLU A 235 -13.014 8.365 -5.633 1.00 15.00 H new ATOM 0 HG3 GLU A 235 -12.597 9.046 -4.073 1.00 15.00 H new ATOM 18 N LEU A 236 -10.470 5.208 -1.492 1.00 15.00 N ATOM 19 CA LEU A 236 -10.325 3.855 -0.956 1.00 15.00 C ATOM 20 C LEU A 236 -10.983 3.786 0.418 1.00 15.00 C ATOM 21 O LEU A 236 -11.374 4.818 0.971 1.00 15.00 O ATOM 22 CB LEU A 236 -8.842 3.436 -0.819 1.00 15.00 C ATOM 23 CG LEU A 236 -7.925 3.693 -2.024 1.00 15.00 C ATOM 24 CD1 LEU A 236 -8.619 3.344 -3.331 1.00 15.00 C ATOM 25 CD2 LEU A 236 -7.432 5.131 -2.031 1.00 15.00 C ATOM 0 H LEU A 236 -9.844 5.898 -1.076 1.00 15.00 H new ATOM 0 HA LEU A 236 -10.806 3.171 -1.656 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -8.422 3.956 0.042 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -8.812 2.370 -0.593 1.00 15.00 H new ATOM 0 HG LEU A 236 -7.058 3.040 -1.929 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -7.944 3.537 -4.164 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -8.896 2.290 -3.325 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -9.515 3.954 -3.441 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -6.784 5.289 -2.893 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -8.285 5.808 -2.088 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -6.873 5.328 -1.116 1.00 15.00 H new ATOM 37 N PRO A 237 -11.105 2.583 0.997 1.00 15.00 N ATOM 38 CA PRO A 237 -11.537 2.442 2.383 1.00 15.00 C ATOM 39 C PRO A 237 -10.468 2.947 3.331 1.00 15.00 C ATOM 40 O PRO A 237 -9.311 3.146 2.951 1.00 15.00 O ATOM 41 CB PRO A 237 -11.754 0.934 2.567 1.00 15.00 C ATOM 42 CG PRO A 237 -11.696 0.337 1.197 1.00 15.00 C ATOM 43 CD PRO A 237 -10.895 1.278 0.345 1.00 15.00 C ATOM 0 HA PRO A 237 -12.436 3.020 2.597 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -10.987 0.506 3.212 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.716 0.733 3.039 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -11.232 -0.649 1.225 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.699 0.206 0.790 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.840 1.003 0.324 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -11.244 1.283 -0.688 1.00 15.00 H new ATOM 51 N GLU A 238 -10.872 3.158 4.557 1.00 15.00 N ATOM 52 CA GLU A 238 -10.009 3.753 5.570 1.00 15.00 C ATOM 53 C GLU A 238 -8.883 2.804 5.982 1.00 15.00 C ATOM 54 O GLU A 238 -9.036 1.581 5.949 1.00 15.00 O ATOM 55 CB GLU A 238 -10.852 4.121 6.789 1.00 15.00 C ATOM 56 CG GLU A 238 -11.492 2.919 7.455 1.00 15.00 C ATOM 57 CD GLU A 238 -12.670 3.294 8.318 1.00 15.00 C ATOM 58 OE1 GLU A 238 -12.459 3.719 9.471 1.00 15.00 O ATOM 59 OE2 GLU A 238 -13.815 3.156 7.845 1.00 15.00 O1- ATOM 0 H GLU A 238 -11.807 2.925 4.891 1.00 15.00 H new ATOM 0 HA GLU A 238 -9.547 4.645 5.148 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -10.224 4.639 7.514 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -11.632 4.819 6.486 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -11.817 2.214 6.690 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -10.748 2.407 8.065 1.00 15.00 H new ATOM 66 N GLY A 239 -7.758 3.385 6.377 1.00 15.00 N ATOM 67 CA GLY A 239 -6.644 2.602 6.870 1.00 15.00 C ATOM 68 C GLY A 239 -5.552 2.383 5.841 1.00 15.00 C ATOM 69 O GLY A 239 -4.499 1.842 6.167 1.00 15.00 O ATOM 0 H GLY A 239 -7.597 4.392 6.364 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -6.217 3.101 7.740 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -7.013 1.633 7.207 1.00 15.00 H new ATOM 73 N TYR A 240 -5.790 2.787 4.600 1.00 15.00 N ATOM 74 CA TYR A 240 -4.783 2.629 3.558 1.00 15.00 C ATOM 75 C TYR A 240 -4.091 3.948 3.280 1.00 15.00 C ATOM 76 O TYR A 240 -4.717 4.896 2.799 1.00 15.00 O ATOM 77 CB TYR A 240 -5.394 2.120 2.248 1.00 15.00 C ATOM 78 CG TYR A 240 -6.179 0.851 2.399 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.542 -0.345 2.667 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.559 0.853 2.291 1.00 15.00 C ATOM 81 CE1 TYR A 240 -6.259 -1.512 2.826 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.286 -0.303 2.455 1.00 15.00 C ATOM 83 CZ TYR A 240 -7.633 -1.487 2.726 1.00 15.00 C ATOM 84 OH TYR A 240 -8.349 -2.650 2.900 1.00 15.00 O ATOM 0 H TYR A 240 -6.660 3.221 4.292 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.065 1.895 3.925 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -6.045 2.892 1.837 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -4.595 1.958 1.524 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.466 -0.366 2.753 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -8.073 1.778 2.074 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -5.746 -2.441 3.028 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.363 -0.284 2.372 1.00 15.00 H new ATOM 0 HH TYR A 240 -9.306 -2.463 2.799 1.00 15.00 H new ATOM 94 N GLU A 241 -2.812 4.011 3.589 1.00 15.00 N ATOM 95 CA GLU A 241 -2.011 5.146 3.199 1.00 15.00 C ATOM 96 C GLU A 241 -1.317 4.831 1.885 1.00 15.00 C ATOM 97 O GLU A 241 -0.724 3.759 1.720 1.00 15.00 O ATOM 98 CB GLU A 241 -0.996 5.511 4.290 1.00 15.00 C ATOM 99 CG GLU A 241 -0.078 4.374 4.719 1.00 15.00 C ATOM 100 CD GLU A 241 0.893 4.804 5.800 1.00 15.00 C ATOM 101 OE1 GLU A 241 0.449 5.011 6.950 1.00 15.00 O ATOM 102 OE2 GLU A 241 2.097 4.960 5.502 1.00 15.00 O1- ATOM 0 H GLU A 241 -2.309 3.291 4.107 1.00 15.00 H new ATOM 0 HA GLU A 241 -2.657 6.013 3.065 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -0.383 6.338 3.933 1.00 15.00 H new ATOM 0 HB3 GLU A 241 -1.538 5.870 5.165 1.00 15.00 H new ATOM 0 HG2 GLU A 241 -0.679 3.541 5.083 1.00 15.00 H new ATOM 0 HG3 GLU A 241 0.479 4.012 3.855 1.00 15.00 H new ATOM 109 N GLN A 242 -1.400 5.756 0.945 1.00 15.00 N ATOM 110 CA GLN A 242 -0.769 5.566 -0.345 1.00 15.00 C ATOM 111 C GLN A 242 0.642 6.113 -0.261 1.00 15.00 C ATOM 112 O GLN A 242 0.852 7.320 -0.149 1.00 15.00 O ATOM 113 CB GLN A 242 -1.579 6.270 -1.450 1.00 15.00 C ATOM 114 CG GLN A 242 -1.190 5.886 -2.877 1.00 15.00 C ATOM 115 CD GLN A 242 0.092 6.540 -3.360 1.00 15.00 C ATOM 116 OE1 GLN A 242 0.439 7.644 -2.948 1.00 15.00 O ATOM 117 NE2 GLN A 242 0.795 5.865 -4.252 1.00 15.00 N ATOM 0 H GLN A 242 -1.896 6.641 1.051 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.735 4.507 -0.600 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -2.636 6.046 -1.304 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -1.463 7.348 -1.335 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -1.078 4.803 -2.934 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -2.002 6.159 -3.551 1.00 15.00 H new ATOM 0 HE21 GLN A 242 0.473 4.951 -4.569 1.00 15.00 H new ATOM 0 HE22 GLN A 242 1.660 6.258 -4.624 1.00 15.00 H new ATOM 126 N ARG A 243 1.605 5.216 -0.247 1.00 15.00 N ATOM 127 CA ARG A 243 2.984 5.612 -0.080 1.00 15.00 C ATOM 128 C ARG A 243 3.739 5.612 -1.387 1.00 15.00 C ATOM 129 O ARG A 243 3.468 4.832 -2.299 1.00 15.00 O ATOM 130 CB ARG A 243 3.698 4.745 0.947 1.00 15.00 C ATOM 131 CG ARG A 243 3.597 5.302 2.357 1.00 15.00 C ATOM 132 CD ARG A 243 4.416 4.491 3.348 1.00 15.00 C ATOM 133 NE ARG A 243 5.820 4.378 2.939 1.00 15.00 N ATOM 134 CZ ARG A 243 6.854 4.794 3.672 1.00 15.00 C ATOM 135 NH1 ARG A 243 6.656 5.401 4.837 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 8.094 4.597 3.233 1.00 15.00 N ATOM 0 H ARG A 243 1.458 4.212 -0.349 1.00 15.00 H new ATOM 0 HA ARG A 243 2.966 6.636 0.292 1.00 15.00 H new ATOM 0 HB2 ARG A 243 3.274 3.741 0.926 1.00 15.00 H new ATOM 0 HB3 ARG A 243 4.749 4.653 0.671 1.00 15.00 H new ATOM 0 HG2 ARG A 243 3.940 6.337 2.364 1.00 15.00 H new ATOM 0 HG3 ARG A 243 2.553 5.310 2.670 1.00 15.00 H new ATOM 0 HD2 ARG A 243 4.361 4.958 4.331 1.00 15.00 H new ATOM 0 HD3 ARG A 243 3.985 3.494 3.444 1.00 15.00 H new ATOM 0 HE ARG A 243 6.019 3.953 2.033 1.00 15.00 H new ATOM 0 HH11 ARG A 243 5.707 5.553 5.178 1.00 15.00 H new ATOM 0 HH12 ARG A 243 7.453 5.715 5.390 1.00 15.00 H new ATOM 0 HH21 ARG A 243 8.251 4.130 2.340 1.00 15.00 H new ATOM 0 HH22 ARG A 243 8.888 4.913 3.789 1.00 15.00 H new ATOM 150 N THR A 244 4.708 6.494 -1.424 1.00 15.00 N ATOM 151 CA THR A 244 5.542 6.716 -2.581 1.00 15.00 C ATOM 152 C THR A 244 6.988 6.496 -2.160 1.00 15.00 C ATOM 153 O THR A 244 7.371 6.859 -1.048 1.00 15.00 O ATOM 154 CB THR A 244 5.353 8.147 -3.127 1.00 15.00 C ATOM 155 OG1 THR A 244 3.955 8.482 -3.135 1.00 15.00 O ATOM 156 CG2 THR A 244 5.907 8.268 -4.540 1.00 15.00 C ATOM 0 H THR A 244 4.944 7.092 -0.632 1.00 15.00 H new ATOM 0 HA THR A 244 5.267 6.024 -3.378 1.00 15.00 H new ATOM 0 HB THR A 244 5.897 8.834 -2.479 1.00 15.00 H new ATOM 0 HG1 THR A 244 3.839 9.392 -3.481 1.00 15.00 H new ATOM 0 HG21 THR A 244 5.762 9.286 -4.902 1.00 15.00 H new ATOM 0 HG22 THR A 244 6.971 8.033 -4.535 1.00 15.00 H new ATOM 0 HG23 THR A 244 5.385 7.572 -5.196 1.00 15.00 H new ATOM 164 N THR A 245 7.778 5.893 -3.020 1.00 15.00 N ATOM 165 CA THR A 245 9.092 5.435 -2.629 1.00 15.00 C ATOM 166 C THR A 245 10.112 5.642 -3.736 1.00 15.00 C ATOM 167 O THR A 245 9.769 5.644 -4.920 1.00 15.00 O ATOM 168 CB THR A 245 9.051 3.945 -2.234 1.00 15.00 C ATOM 169 OG1 THR A 245 10.378 3.444 -2.012 1.00 15.00 O ATOM 170 CG2 THR A 245 8.358 3.124 -3.314 1.00 15.00 C ATOM 0 H THR A 245 7.534 5.709 -3.993 1.00 15.00 H new ATOM 0 HA THR A 245 9.398 6.030 -1.768 1.00 15.00 H new ATOM 0 HB THR A 245 8.484 3.855 -1.307 1.00 15.00 H new ATOM 0 HG1 THR A 245 10.330 2.512 -1.712 1.00 15.00 H new ATOM 0 HG21 THR A 245 8.339 2.075 -3.018 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.337 3.483 -3.445 1.00 15.00 H new ATOM 0 HG23 THR A 245 8.902 3.226 -4.253 1.00 15.00 H new ATOM 178 N VAL A 246 11.362 5.847 -3.327 1.00 15.00 N ATOM 179 CA VAL A 246 12.492 5.905 -4.247 1.00 15.00 C ATOM 180 C VAL A 246 12.552 4.624 -5.078 1.00 15.00 C ATOM 181 O VAL A 246 13.100 4.597 -6.183 1.00 15.00 O ATOM 182 CB VAL A 246 13.812 6.088 -3.468 1.00 15.00 C ATOM 183 CG1 VAL A 246 14.188 4.829 -2.699 1.00 15.00 C ATOM 184 CG2 VAL A 246 14.936 6.521 -4.394 1.00 15.00 C ATOM 0 H VAL A 246 11.618 5.977 -2.348 1.00 15.00 H new ATOM 0 HA VAL A 246 12.358 6.758 -4.912 1.00 15.00 H new ATOM 0 HB VAL A 246 13.654 6.881 -2.737 1.00 15.00 H new ATOM 0 HG11 VAL A 246 15.122 4.995 -2.163 1.00 15.00 H new ATOM 0 HG12 VAL A 246 13.399 4.588 -1.987 1.00 15.00 H new ATOM 0 HG13 VAL A 246 14.312 4.000 -3.396 1.00 15.00 H new ATOM 0 HG21 VAL A 246 15.854 6.643 -3.819 1.00 15.00 H new ATOM 0 HG22 VAL A 246 15.087 5.763 -5.163 1.00 15.00 H new ATOM 0 HG23 VAL A 246 14.675 7.469 -4.865 1.00 15.00 H new ATOM 194 N GLN A 247 11.975 3.570 -4.509 1.00 15.00 N ATOM 195 CA GLN A 247 11.786 2.296 -5.196 1.00 15.00 C ATOM 196 C GLN A 247 11.126 2.516 -6.561 1.00 15.00 C ATOM 197 O GLN A 247 11.429 1.820 -7.533 1.00 15.00 O ATOM 198 CB GLN A 247 10.924 1.362 -4.337 1.00 15.00 C ATOM 199 CG GLN A 247 10.726 -0.016 -4.932 1.00 15.00 C ATOM 200 CD GLN A 247 9.592 -0.796 -4.299 1.00 15.00 C ATOM 201 OE1 GLN A 247 8.594 -0.225 -3.862 1.00 15.00 O ATOM 202 NE2 GLN A 247 9.737 -2.113 -4.250 1.00 15.00 N ATOM 0 H GLN A 247 11.623 3.576 -3.552 1.00 15.00 H new ATOM 0 HA GLN A 247 12.761 1.836 -5.354 1.00 15.00 H new ATOM 0 HB2 GLN A 247 11.386 1.259 -3.355 1.00 15.00 H new ATOM 0 HB3 GLN A 247 9.949 1.824 -4.184 1.00 15.00 H new ATOM 0 HG2 GLN A 247 10.535 0.083 -6.000 1.00 15.00 H new ATOM 0 HG3 GLN A 247 11.650 -0.584 -4.825 1.00 15.00 H new ATOM 0 HE21 GLN A 247 10.581 -2.547 -4.624 1.00 15.00 H new ATOM 0 HE22 GLN A 247 9.005 -2.692 -3.838 1.00 15.00 H new ATOM 211 N GLY A 248 10.219 3.491 -6.624 1.00 15.00 N ATOM 212 CA GLY A 248 9.577 3.844 -7.877 1.00 15.00 C ATOM 213 C GLY A 248 8.171 3.289 -7.999 1.00 15.00 C ATOM 214 O GLY A 248 7.387 3.734 -8.840 1.00 15.00 O ATOM 0 H GLY A 248 9.917 4.045 -5.822 1.00 15.00 H new ATOM 0 HA2 GLY A 248 9.542 4.930 -7.968 1.00 15.00 H new ATOM 0 HA3 GLY A 248 10.181 3.474 -8.705 1.00 15.00 H new ATOM 218 N GLN A 249 7.844 2.337 -7.145 1.00 15.00 N ATOM 219 CA GLN A 249 6.578 1.623 -7.230 1.00 15.00 C ATOM 220 C GLN A 249 5.535 2.228 -6.290 1.00 15.00 C ATOM 221 O GLN A 249 5.870 2.713 -5.212 1.00 15.00 O ATOM 222 CB GLN A 249 6.793 0.151 -6.871 1.00 15.00 C ATOM 223 CG GLN A 249 7.418 -0.700 -7.976 1.00 15.00 C ATOM 224 CD GLN A 249 8.843 -0.313 -8.318 1.00 15.00 C ATOM 225 OE1 GLN A 249 9.080 0.487 -9.220 1.00 15.00 O ATOM 226 NE2 GLN A 249 9.806 -0.859 -7.585 1.00 15.00 N ATOM 0 H GLN A 249 8.443 2.036 -6.376 1.00 15.00 H new ATOM 0 HA GLN A 249 6.209 1.708 -8.252 1.00 15.00 H new ATOM 0 HB2 GLN A 249 7.430 0.097 -5.988 1.00 15.00 H new ATOM 0 HB3 GLN A 249 5.832 -0.285 -6.598 1.00 15.00 H new ATOM 0 HG2 GLN A 249 7.400 -1.746 -7.670 1.00 15.00 H new ATOM 0 HG3 GLN A 249 6.805 -0.620 -8.874 1.00 15.00 H new ATOM 0 HE21 GLN A 249 9.571 -1.520 -6.844 1.00 15.00 H new ATOM 0 HE22 GLN A 249 10.781 -0.618 -7.763 1.00 15.00 H new ATOM 235 N VAL A 250 4.270 2.176 -6.694 1.00 15.00 N ATOM 236 CA VAL A 250 3.170 2.605 -5.833 1.00 15.00 C ATOM 237 C VAL A 250 2.674 1.424 -5.011 1.00 15.00 C ATOM 238 O VAL A 250 2.419 0.350 -5.554 1.00 15.00 O ATOM 239 CB VAL A 250 1.979 3.185 -6.632 1.00 15.00 C ATOM 240 CG1 VAL A 250 2.264 4.602 -7.091 1.00 15.00 C ATOM 241 CG2 VAL A 250 1.641 2.306 -7.828 1.00 15.00 C ATOM 0 H VAL A 250 3.979 1.841 -7.613 1.00 15.00 H new ATOM 0 HA VAL A 250 3.560 3.394 -5.190 1.00 15.00 H new ATOM 0 HB VAL A 250 1.119 3.206 -5.963 1.00 15.00 H new ATOM 0 HG11 VAL A 250 1.409 4.982 -7.650 1.00 15.00 H new ATOM 0 HG12 VAL A 250 2.442 5.237 -6.223 1.00 15.00 H new ATOM 0 HG13 VAL A 250 3.146 4.607 -7.731 1.00 15.00 H new ATOM 0 HG21 VAL A 250 0.800 2.738 -8.371 1.00 15.00 H new ATOM 0 HG22 VAL A 250 2.506 2.242 -8.489 1.00 15.00 H new ATOM 0 HG23 VAL A 250 1.375 1.307 -7.482 1.00 15.00 H new ATOM 251 N TYR A 251 2.545 1.608 -3.707 1.00 15.00 N ATOM 252 CA TYR A 251 2.156 0.503 -2.848 1.00 15.00 C ATOM 253 C TYR A 251 1.221 0.958 -1.731 1.00 15.00 C ATOM 254 O TYR A 251 1.399 2.028 -1.139 1.00 15.00 O ATOM 255 CB TYR A 251 3.419 -0.204 -2.329 1.00 15.00 C ATOM 256 CG TYR A 251 4.320 0.591 -1.389 1.00 15.00 C ATOM 257 CD1 TYR A 251 3.943 0.869 -0.080 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.584 1.007 -1.801 1.00 15.00 C ATOM 259 CE1 TYR A 251 4.795 1.531 0.783 1.00 15.00 C ATOM 260 CE2 TYR A 251 6.430 1.674 -0.941 1.00 15.00 C ATOM 261 CZ TYR A 251 6.035 1.930 0.347 1.00 15.00 C ATOM 262 OH TYR A 251 6.888 2.582 1.209 1.00 15.00 O ATOM 0 H TYR A 251 2.701 2.495 -3.228 1.00 15.00 H new ATOM 0 HA TYR A 251 1.581 -0.220 -3.425 1.00 15.00 H new ATOM 0 HB2 TYR A 251 3.111 -1.114 -1.814 1.00 15.00 H new ATOM 0 HB3 TYR A 251 4.014 -0.511 -3.190 1.00 15.00 H new ATOM 0 HD1 TYR A 251 2.968 0.562 0.268 1.00 15.00 H new ATOM 0 HD2 TYR A 251 5.907 0.803 -2.811 1.00 15.00 H new ATOM 0 HE1 TYR A 251 4.487 1.734 1.798 1.00 15.00 H new ATOM 0 HE2 TYR A 251 7.403 1.995 -1.281 1.00 15.00 H new ATOM 0 HH TYR A 251 7.724 2.794 0.744 1.00 15.00 H new ATOM 272 N PHE A 252 0.213 0.136 -1.469 1.00 15.00 N ATOM 273 CA PHE A 252 -0.807 0.440 -0.476 1.00 15.00 C ATOM 274 C PHE A 252 -0.487 -0.220 0.843 1.00 15.00 C ATOM 275 O PHE A 252 -0.302 -1.436 0.906 1.00 15.00 O ATOM 276 CB PHE A 252 -2.177 -0.020 -0.973 1.00 15.00 C ATOM 277 CG PHE A 252 -2.638 0.791 -2.150 1.00 15.00 C ATOM 278 CD1 PHE A 252 -2.757 2.166 -2.044 1.00 15.00 C ATOM 279 CD2 PHE A 252 -2.908 0.190 -3.375 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.131 2.930 -3.130 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.293 0.950 -4.461 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.400 2.322 -4.339 1.00 15.00 C ATOM 0 H PHE A 252 0.080 -0.759 -1.939 1.00 15.00 H new ATOM 0 HA PHE A 252 -0.826 1.519 -0.324 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -2.129 -1.073 -1.252 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -2.905 0.063 -0.166 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -2.554 2.647 -1.099 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -2.816 -0.881 -3.477 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.213 4.003 -3.034 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -3.510 0.473 -5.405 1.00 15.00 H new ATOM 0 HZ PHE A 252 -3.694 2.919 -5.190 1.00 15.00 H new ATOM 292 N LEU A 253 -0.432 0.576 1.895 1.00 15.00 N ATOM 293 CA LEU A 253 -0.090 0.048 3.191 1.00 15.00 C ATOM 294 C LEU A 253 -1.157 0.353 4.229 1.00 15.00 C ATOM 295 O LEU A 253 -1.365 1.498 4.624 1.00 15.00 O ATOM 296 CB LEU A 253 1.271 0.571 3.640 1.00 15.00 C ATOM 297 CG LEU A 253 2.239 -0.512 4.113 1.00 15.00 C ATOM 298 CD1 LEU A 253 3.601 -0.314 3.485 1.00 15.00 C ATOM 299 CD2 LEU A 253 2.336 -0.528 5.626 1.00 15.00 C ATOM 0 H LEU A 253 -0.618 1.579 1.873 1.00 15.00 H new ATOM 0 HA LEU A 253 -0.033 -1.037 3.098 1.00 15.00 H new ATOM 0 HB2 LEU A 253 1.729 1.114 2.813 1.00 15.00 H new ATOM 0 HB3 LEU A 253 1.123 1.287 4.448 1.00 15.00 H new ATOM 0 HG LEU A 253 1.853 -1.480 3.794 1.00 15.00 H new ATOM 0 HD11 LEU A 253 4.279 -1.094 3.832 1.00 15.00 H new ATOM 0 HD12 LEU A 253 3.513 -0.367 2.400 1.00 15.00 H new ATOM 0 HD13 LEU A 253 3.994 0.662 3.770 1.00 15.00 H new ATOM 0 HD21 LEU A 253 3.031 -1.308 5.938 1.00 15.00 H new ATOM 0 HD22 LEU A 253 2.694 0.439 5.978 1.00 15.00 H new ATOM 0 HD23 LEU A 253 1.353 -0.727 6.052 1.00 15.00 H new ATOM 311 N HIS A 254 -1.860 -0.690 4.625 1.00 15.00 N ATOM 312 CA HIS A 254 -2.759 -0.632 5.764 1.00 15.00 C ATOM 313 C HIS A 254 -2.159 -1.442 6.876 1.00 15.00 C ATOM 314 O HIS A 254 -2.334 -2.661 6.911 1.00 15.00 O ATOM 315 CB HIS A 254 -4.148 -1.202 5.423 1.00 15.00 C ATOM 316 CG HIS A 254 -5.023 -1.493 6.620 1.00 15.00 C ATOM 317 ND1 HIS A 254 -5.456 -2.764 6.937 1.00 15.00 N ATOM 318 CD2 HIS A 254 -5.515 -0.682 7.589 1.00 15.00 C ATOM 319 CE1 HIS A 254 -6.168 -2.723 8.050 1.00 15.00 C ATOM 320 NE2 HIS A 254 -6.220 -1.472 8.464 1.00 15.00 N ATOM 0 H HIS A 254 -1.825 -1.601 4.168 1.00 15.00 H new ATOM 0 HA HIS A 254 -2.887 0.411 6.055 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.666 -0.496 4.775 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -4.018 -2.122 4.853 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -5.378 0.387 7.660 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -6.629 -3.570 8.537 1.00 15.00 H new ATOM 0 HE2 HIS A 254 -6.705 -1.144 9.299 1.00 15.00 H new ATOM 329 N THR A 255 -1.420 -0.833 7.773 1.00 15.00 N ATOM 330 CA THR A 255 -0.882 -1.654 8.818 1.00 15.00 C ATOM 331 C THR A 255 -1.797 -1.639 10.034 1.00 15.00 C ATOM 332 O THR A 255 -1.697 -0.810 10.932 1.00 15.00 O ATOM 333 CB THR A 255 0.558 -1.227 9.198 1.00 15.00 C ATOM 334 OG1 THR A 255 1.011 -1.963 10.340 1.00 15.00 O ATOM 335 CG2 THR A 255 0.652 0.269 9.470 1.00 15.00 C ATOM 0 H THR A 255 -1.191 0.161 7.801 1.00 15.00 H new ATOM 0 HA THR A 255 -0.826 -2.676 8.442 1.00 15.00 H new ATOM 0 HB THR A 255 1.201 -1.451 8.347 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.922 -1.684 10.568 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.678 0.527 9.733 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.356 0.820 8.577 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.011 0.531 10.295 1.00 15.00 H new ATOM 343 N GLN A 256 -2.733 -2.564 9.990 1.00 15.00 N ATOM 344 CA GLN A 256 -3.317 -3.175 11.158 1.00 15.00 C ATOM 345 C GLN A 256 -2.653 -4.523 11.307 1.00 15.00 C ATOM 346 O GLN A 256 -2.156 -4.910 12.361 1.00 15.00 O ATOM 347 CB GLN A 256 -4.827 -3.345 10.986 1.00 15.00 C ATOM 348 CG GLN A 256 -5.513 -4.017 12.163 1.00 15.00 C ATOM 349 CD GLN A 256 -5.664 -3.093 13.363 1.00 15.00 C ATOM 350 OE1 GLN A 256 -4.842 -2.208 13.587 1.00 15.00 O ATOM 351 NE2 GLN A 256 -6.713 -3.299 14.143 1.00 15.00 N ATOM 0 H GLN A 256 -3.117 -2.919 9.114 1.00 15.00 H new ATOM 0 HA GLN A 256 -3.164 -2.554 12.040 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -5.277 -2.365 10.828 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -5.016 -3.931 10.086 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -6.498 -4.366 11.853 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -4.941 -4.897 12.457 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -7.373 -4.045 13.923 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -6.861 -2.712 14.964 1.00 15.00 H new ATOM 360 N THR A 257 -2.699 -5.240 10.184 1.00 15.00 N ATOM 361 CA THR A 257 -2.148 -6.566 10.059 1.00 15.00 C ATOM 362 C THR A 257 -0.817 -6.559 9.396 1.00 15.00 C ATOM 363 O THR A 257 -0.025 -7.503 9.404 1.00 15.00 O ATOM 364 CB THR A 257 -3.138 -7.525 9.379 1.00 15.00 C ATOM 365 OG1 THR A 257 -3.465 -7.020 8.075 1.00 15.00 O ATOM 366 CG2 THR A 257 -4.417 -7.644 10.200 1.00 15.00 C ATOM 0 H THR A 257 -3.131 -4.898 9.326 1.00 15.00 H new ATOM 0 HA THR A 257 -1.983 -6.944 11.068 1.00 15.00 H new ATOM 0 HB THR A 257 -2.675 -8.509 9.299 1.00 15.00 H new ATOM 0 HG1 THR A 257 -4.095 -7.629 7.637 1.00 15.00 H new ATOM 0 HG21 THR A 257 -5.106 -8.327 9.703 1.00 15.00 H new ATOM 0 HG22 THR A 257 -4.178 -8.027 11.192 1.00 15.00 H new ATOM 0 HG23 THR A 257 -4.882 -6.663 10.293 1.00 15.00 H new ATOM 374 N GLY A 258 -0.643 -5.447 8.872 1.00 15.00 N ATOM 375 CA GLY A 258 0.461 -5.136 7.987 1.00 15.00 C ATOM 376 C GLY A 258 0.153 -5.438 6.532 1.00 15.00 C ATOM 377 O GLY A 258 0.649 -6.418 5.977 1.00 15.00 O ATOM 0 H GLY A 258 -1.272 -4.659 9.027 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.715 -4.081 8.088 1.00 15.00 H new ATOM 0 HA3 GLY A 258 1.338 -5.706 8.294 1.00 15.00 H new ATOM 381 N VAL A 259 -0.674 -4.603 5.912 1.00 15.00 N ATOM 382 CA VAL A 259 -0.920 -4.719 4.472 1.00 15.00 C ATOM 383 C VAL A 259 0.067 -3.896 3.670 1.00 15.00 C ATOM 384 O VAL A 259 0.243 -2.708 3.905 1.00 15.00 O ATOM 385 CB VAL A 259 -2.354 -4.301 4.038 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.465 -4.253 2.523 1.00 15.00 C ATOM 387 CG2 VAL A 259 -3.364 -5.284 4.582 1.00 15.00 C ATOM 0 H VAL A 259 -1.181 -3.847 6.373 1.00 15.00 H new ATOM 0 HA VAL A 259 -0.798 -5.782 4.264 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.556 -3.307 4.438 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.476 -3.959 2.241 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -1.753 -3.528 2.129 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -2.246 -5.238 2.111 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -4.366 -4.984 4.274 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -3.148 -6.280 4.195 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -3.308 -5.298 5.670 1.00 15.00 H new ATOM 397 N SER A 260 0.697 -4.575 2.737 1.00 15.00 N ATOM 398 CA SER A 260 1.511 -3.961 1.696 1.00 15.00 C ATOM 399 C SER A 260 1.441 -4.852 0.469 1.00 15.00 C ATOM 400 O SER A 260 2.157 -5.848 0.358 1.00 15.00 O ATOM 401 CB SER A 260 2.967 -3.732 2.138 1.00 15.00 C ATOM 402 OG SER A 260 3.431 -4.784 2.972 1.00 15.00 O ATOM 0 H SER A 260 0.661 -5.592 2.674 1.00 15.00 H new ATOM 0 HA SER A 260 1.117 -2.969 1.473 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.607 -3.654 1.259 1.00 15.00 H new ATOM 0 HB3 SER A 260 3.041 -2.784 2.671 1.00 15.00 H new ATOM 0 HG SER A 260 4.359 -4.609 3.234 1.00 15.00 H new ATOM 408 N THR A 261 0.520 -4.528 -0.416 1.00 15.00 N ATOM 409 CA THR A 261 0.182 -5.412 -1.513 1.00 15.00 C ATOM 410 C THR A 261 0.075 -4.646 -2.823 1.00 15.00 C ATOM 411 O THR A 261 -0.246 -3.454 -2.841 1.00 15.00 O ATOM 412 CB THR A 261 -1.132 -6.172 -1.231 1.00 15.00 C ATOM 413 OG1 THR A 261 -1.426 -7.072 -2.310 1.00 15.00 O ATOM 414 CG2 THR A 261 -2.291 -5.205 -1.035 1.00 15.00 C ATOM 0 H THR A 261 -0.009 -3.656 -0.397 1.00 15.00 H new ATOM 0 HA THR A 261 0.988 -6.140 -1.605 1.00 15.00 H new ATOM 0 HB THR A 261 -1.001 -6.743 -0.312 1.00 15.00 H new ATOM 0 HG1 THR A 261 -1.876 -7.868 -1.958 1.00 15.00 H new ATOM 0 HG21 THR A 261 -3.204 -5.767 -0.838 1.00 15.00 H new ATOM 0 HG22 THR A 261 -2.079 -4.549 -0.190 1.00 15.00 H new ATOM 0 HG23 THR A 261 -2.421 -4.606 -1.936 1.00 15.00 H new ATOM 422 N TRP A 262 0.380 -5.336 -3.914 1.00 15.00 N ATOM 423 CA TRP A 262 0.386 -4.735 -5.236 1.00 15.00 C ATOM 424 C TRP A 262 -1.010 -4.389 -5.745 1.00 15.00 C ATOM 425 O TRP A 262 -1.149 -3.613 -6.689 1.00 15.00 O ATOM 426 CB TRP A 262 1.082 -5.662 -6.227 1.00 15.00 C ATOM 427 CG TRP A 262 2.572 -5.582 -6.152 1.00 15.00 C ATOM 428 CD1 TRP A 262 3.456 -6.595 -5.941 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.352 -4.409 -6.173 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.724 -6.154 -5.994 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.695 -4.819 -6.100 1.00 15.00 C ATOM 432 CE3 TRP A 262 3.065 -3.054 -6.284 1.00 15.00 C ATOM 433 CZ2 TRP A 262 5.729 -3.946 -6.121 1.00 15.00 C ATOM 434 CZ3 TRP A 262 4.116 -2.180 -6.259 1.00 15.00 C ATOM 435 CH2 TRP A 262 5.424 -2.650 -6.179 1.00 15.00 C ATOM 0 H TRP A 262 0.629 -6.325 -3.905 1.00 15.00 H new ATOM 0 HA TRP A 262 0.933 -3.796 -5.150 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.769 -6.689 -6.038 1.00 15.00 H new ATOM 0 HB3 TRP A 262 0.760 -5.412 -7.238 1.00 15.00 H new ATOM 0 HD1 TRP A 262 3.175 -7.621 -5.755 1.00 15.00 H new ATOM 0 HE1 TRP A 262 5.562 -6.734 -5.960 1.00 15.00 H new ATOM 0 HE3 TRP A 262 2.048 -2.704 -6.386 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.754 -4.284 -6.092 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 3.930 -1.117 -6.302 1.00 15.00 H new ATOM 0 HH2 TRP A 262 6.229 -1.931 -6.163 1.00 15.00 H new ATOM 446 N HIS A 263 -2.043 -4.963 -5.150 1.00 15.00 N ATOM 447 CA HIS A 263 -3.399 -4.668 -5.595 1.00 15.00 C ATOM 448 C HIS A 263 -4.008 -3.580 -4.723 1.00 15.00 C ATOM 449 O HIS A 263 -3.909 -3.632 -3.496 1.00 15.00 O ATOM 450 CB HIS A 263 -4.290 -5.931 -5.592 1.00 15.00 C ATOM 451 CG HIS A 263 -4.916 -6.279 -4.267 1.00 15.00 C ATOM 452 ND1 HIS A 263 -6.233 -5.995 -3.959 1.00 15.00 N ATOM 453 CD2 HIS A 263 -4.403 -6.884 -3.170 1.00 15.00 C ATOM 454 CE1 HIS A 263 -6.495 -6.406 -2.732 1.00 15.00 C ATOM 455 NE2 HIS A 263 -5.404 -6.951 -2.235 1.00 15.00 N ATOM 0 H HIS A 263 -1.975 -5.622 -4.374 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.345 -4.312 -6.624 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -5.085 -5.795 -6.325 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.690 -6.778 -5.925 1.00 15.00 H new ATOM 0 HD1 HIS A 263 -6.899 -5.539 -4.583 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -3.393 -7.247 -3.053 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -7.443 -6.311 -2.223 1.00 15.00 H new ATOM 464 N ASP A 264 -4.619 -2.589 -5.362 1.00 15.00 N ATOM 465 CA ASP A 264 -5.400 -1.591 -4.643 1.00 15.00 C ATOM 466 C ASP A 264 -6.471 -2.321 -3.846 1.00 15.00 C ATOM 467 O ASP A 264 -7.143 -3.197 -4.369 1.00 15.00 O ATOM 468 CB ASP A 264 -6.034 -0.600 -5.628 1.00 15.00 C ATOM 469 CG ASP A 264 -6.735 0.560 -4.947 1.00 15.00 C ATOM 470 OD1 ASP A 264 -7.638 0.316 -4.125 1.00 15.00 O1- ATOM 471 OD2 ASP A 264 -6.384 1.721 -5.242 1.00 15.00 O ATOM 0 H ASP A 264 -4.589 -2.456 -6.373 1.00 15.00 H new ATOM 0 HA ASP A 264 -4.761 -1.020 -3.970 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.260 -0.210 -6.289 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -6.751 -1.130 -6.255 1.00 15.00 H new ATOM 476 N PRO A 265 -6.630 -2.019 -2.567 1.00 15.00 N ATOM 477 CA PRO A 265 -7.577 -2.728 -1.716 1.00 15.00 C ATOM 478 C PRO A 265 -9.022 -2.447 -2.061 1.00 15.00 C ATOM 479 O PRO A 265 -9.927 -3.145 -1.607 1.00 15.00 O ATOM 480 CB PRO A 265 -7.248 -2.240 -0.312 1.00 15.00 C ATOM 481 CG PRO A 265 -5.922 -1.566 -0.439 1.00 15.00 C ATOM 482 CD PRO A 265 -5.895 -0.997 -1.819 1.00 15.00 C ATOM 0 HA PRO A 265 -7.479 -3.807 -1.836 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -8.008 -1.550 0.054 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -7.203 -3.069 0.394 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -5.806 -0.783 0.311 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -5.106 -2.273 -0.290 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.380 -0.022 -1.871 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -4.878 -0.868 -2.190 1.00 15.00 H new ATOM 490 N ARG A 266 -9.241 -1.411 -2.833 1.00 15.00 N ATOM 491 CA ARG A 266 -10.560 -1.121 -3.335 1.00 15.00 C ATOM 492 C ARG A 266 -10.837 -2.023 -4.520 1.00 15.00 C ATOM 493 O ARG A 266 -11.945 -2.078 -5.054 1.00 15.00 O ATOM 494 CB ARG A 266 -10.625 0.333 -3.737 1.00 15.00 C ATOM 495 CG ARG A 266 -12.036 0.846 -3.928 1.00 15.00 C ATOM 496 CD ARG A 266 -12.883 0.692 -2.676 1.00 15.00 C ATOM 497 NE ARG A 266 -14.311 0.722 -2.992 1.00 15.00 N ATOM 498 CZ ARG A 266 -15.290 0.596 -2.094 1.00 15.00 C ATOM 499 NH1 ARG A 266 -15.012 0.526 -0.801 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -16.555 0.552 -2.495 1.00 15.00 N ATOM 0 H ARG A 266 -8.520 -0.753 -3.128 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.314 -1.303 -2.569 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -10.129 0.934 -2.975 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -10.069 0.470 -4.664 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -12.002 1.897 -4.213 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -12.507 0.308 -4.751 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -12.638 -0.248 -2.182 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -12.647 1.492 -1.974 1.00 15.00 H new ATOM 0 HE ARG A 266 -14.577 0.848 -3.968 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -14.043 0.568 -0.485 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -15.767 0.430 -0.122 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -16.778 0.614 -3.488 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -17.304 0.456 -1.810 1.00 15.00 H new ATOM 514 N ILE A 267 -9.789 -2.718 -4.916 1.00 15.00 N ATOM 515 CA ILE A 267 -9.878 -3.718 -5.980 1.00 15.00 C ATOM 516 C ILE A 267 -9.297 -5.059 -5.512 1.00 15.00 C ATOM 517 O ILE A 267 -8.134 -5.380 -5.830 1.00 15.00 O ATOM 518 CB ILE A 267 -9.219 -3.263 -7.319 1.00 15.00 C ATOM 519 CG1 ILE A 267 -7.742 -2.852 -7.155 1.00 15.00 C ATOM 520 CG2 ILE A 267 -10.015 -2.118 -7.932 1.00 15.00 C ATOM 521 CD1 ILE A 267 -7.063 -2.506 -8.466 1.00 15.00 C ATOM 522 OXT ILE A 267 -10.018 -5.784 -4.796 1.00 15.00 O ATOM 0 H ILE A 267 -8.856 -2.613 -4.518 1.00 15.00 H new ATOM 0 HA ILE A 267 -10.939 -3.843 -6.194 1.00 15.00 H new ATOM 0 HB ILE A 267 -9.234 -4.125 -7.986 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -7.684 -1.993 -6.487 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -7.197 -3.666 -6.676 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -9.546 -1.808 -8.866 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -11.035 -2.449 -8.130 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -10.034 -1.277 -7.239 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -6.027 -2.226 -8.276 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -7.090 -3.371 -9.129 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -7.584 -1.672 -8.936 1.00 15.00 H new TER 534 ILE A 267 ATOM 535 N SER B 210 8.380 2.849 12.367 1.00 15.00 N ATOM 536 CA SER B 210 8.095 4.137 11.706 1.00 15.00 C ATOM 537 C SER B 210 8.287 4.021 10.195 1.00 15.00 C ATOM 538 O SER B 210 8.113 4.992 9.460 1.00 15.00 O ATOM 539 CB SER B 210 9.031 5.210 12.264 1.00 15.00 C ATOM 540 OG SER B 210 9.038 5.187 13.685 1.00 15.00 O ATOM 0 HA SER B 210 7.059 4.412 11.902 1.00 15.00 H new ATOM 0 HB2 SER B 210 10.041 5.048 11.889 1.00 15.00 H new ATOM 0 HB3 SER B 210 8.715 6.192 11.914 1.00 15.00 H new ATOM 0 HG SER B 210 8.776 4.296 13.999 1.00 15.00 H new ATOM 548 N ASP B 211 8.636 2.823 9.735 1.00 15.00 N ATOM 549 CA ASP B 211 8.904 2.601 8.324 1.00 15.00 C ATOM 550 C ASP B 211 8.338 1.262 7.862 1.00 15.00 C ATOM 551 O ASP B 211 8.670 0.210 8.409 1.00 15.00 O ATOM 552 CB ASP B 211 10.409 2.658 8.060 1.00 15.00 C ATOM 553 CG ASP B 211 10.767 2.311 6.628 1.00 15.00 C ATOM 554 OD1 ASP B 211 10.350 3.044 5.708 1.00 15.00 O1- ATOM 555 OD2 ASP B 211 11.476 1.302 6.423 1.00 15.00 O ATOM 0 H ASP B 211 8.739 1.994 10.321 1.00 15.00 H new ATOM 0 HA ASP B 211 8.412 3.390 7.756 1.00 15.00 H new ATOM 0 HB2 ASP B 211 10.776 3.658 8.289 1.00 15.00 H new ATOM 0 HB3 ASP B 211 10.918 1.969 8.734 1.00 15.00 H new ATOM 560 N PRO B 212 7.457 1.302 6.859 1.00 15.00 N ATOM 561 CA PRO B 212 6.880 0.116 6.240 1.00 15.00 C ATOM 562 C PRO B 212 7.722 -0.380 5.071 1.00 15.00 C ATOM 563 O PRO B 212 8.484 0.381 4.475 1.00 15.00 O ATOM 564 CB PRO B 212 5.536 0.619 5.699 1.00 15.00 C ATOM 565 CG PRO B 212 5.479 2.088 5.985 1.00 15.00 C ATOM 566 CD PRO B 212 6.887 2.515 6.286 1.00 15.00 C ATOM 0 HA PRO B 212 6.807 -0.712 6.945 1.00 15.00 H new ATOM 0 HB2 PRO B 212 5.455 0.430 4.629 1.00 15.00 H new ATOM 0 HB3 PRO B 212 4.707 0.099 6.179 1.00 15.00 H new ATOM 0 HG2 PRO B 212 5.081 2.635 5.130 1.00 15.00 H new ATOM 0 HG3 PRO B 212 4.821 2.294 6.829 1.00 15.00 H new ATOM 0 HD2 PRO B 212 7.418 2.830 5.388 1.00 15.00 H new ATOM 0 HD3 PRO B 212 6.919 3.350 6.985 1.00 15.00 H new ATOM 574 N GLY B 213 7.534 -1.638 4.709 1.00 15.00 N ATOM 575 CA GLY B 213 8.338 -2.237 3.666 1.00 15.00 C ATOM 576 C GLY B 213 7.740 -2.059 2.285 1.00 15.00 C ATOM 577 O GLY B 213 6.548 -1.779 2.139 1.00 15.00 O ATOM 0 H GLY B 213 6.836 -2.258 5.121 1.00 15.00 H new ATOM 0 HA2 GLY B 213 9.335 -1.796 3.684 1.00 15.00 H new ATOM 0 HA3 GLY B 213 8.456 -3.301 3.871 1.00 15.00 H new HETATM 581 N SEP B 214 8.582 -2.203 1.280 1.00 15.00 N HETATM 582 CA SEP B 214 8.172 -2.094 -0.106 1.00 15.00 C HETATM 583 CB SEP B 214 9.264 -1.464 -0.990 1.00 15.00 C HETATM 584 OG SEP B 214 10.542 -1.449 -0.387 1.00 15.00 O HETATM 585 C SEP B 214 7.738 -3.453 -0.669 1.00 15.00 C HETATM 586 O SEP B 214 8.078 -4.509 -0.131 1.00 15.00 O HETATM 587 P SEP B 214 11.810 -0.708 -1.092 1.00 15.00 P HETATM 588 O1P SEP B 214 11.975 -1.230 -2.461 1.00 15.00 O HETATM 589 O2P SEP B 214 13.016 -0.981 -0.298 1.00 15.00 O HETATM 590 O3P SEP B 214 11.552 0.734 -1.126 1.00 15.00 O HETATM 0 HB3 SEP B 214 9.321 -2.014 -1.929 1.00 15.00 H new HETATM 0 HB2 SEP B 214 8.976 -0.442 -1.236 1.00 15.00 H new HETATM 0 HA SEP B 214 7.312 -1.424 -0.124 1.00 15.00 H new HETATM 0 H SEP B 214 9.506 -1.878 1.566 1.00 15.00 H new ATOM 595 N PRO B 215 6.987 -3.420 -1.778 1.00 15.00 N ATOM 596 CA PRO B 215 6.418 -4.618 -2.414 1.00 15.00 C ATOM 597 C PRO B 215 7.392 -5.243 -3.403 1.00 15.00 C ATOM 598 O PRO B 215 8.006 -4.545 -4.212 1.00 15.00 O ATOM 599 CB PRO B 215 5.335 -4.028 -3.327 1.00 15.00 C ATOM 600 CG PRO B 215 5.118 -2.653 -2.853 1.00 15.00 C ATOM 601 CD PRO B 215 6.446 -2.197 -2.349 1.00 15.00 C ATOM 0 HA PRO B 215 6.121 -5.348 -1.662 1.00 15.00 H new ATOM 0 HB2 PRO B 215 5.655 -4.037 -4.369 1.00 15.00 H new ATOM 0 HB3 PRO B 215 4.416 -4.611 -3.271 1.00 15.00 H new ATOM 0 HG2 PRO B 215 4.761 -2.011 -3.658 1.00 15.00 H new ATOM 0 HG3 PRO B 215 4.366 -2.623 -2.064 1.00 15.00 H new ATOM 0 HD2 PRO B 215 7.075 -1.807 -3.150 1.00 15.00 H new ATOM 0 HD3 PRO B 215 6.351 -1.406 -1.605 1.00 15.00 H new ATOM 609 N PHE B 216 7.553 -6.551 -3.314 1.00 15.00 N ATOM 610 CA PHE B 216 8.393 -7.275 -4.250 1.00 15.00 C ATOM 611 C PHE B 216 7.521 -8.141 -5.143 1.00 15.00 C ATOM 612 O PHE B 216 7.775 -8.272 -6.341 1.00 15.00 O ATOM 613 CB PHE B 216 9.426 -8.129 -3.510 1.00 15.00 C ATOM 614 CG PHE B 216 10.256 -7.346 -2.530 1.00 15.00 C ATOM 615 CD1 PHE B 216 11.275 -6.517 -2.969 1.00 15.00 C ATOM 616 CD2 PHE B 216 10.009 -7.435 -1.169 1.00 15.00 C ATOM 617 CE1 PHE B 216 12.032 -5.790 -2.070 1.00 15.00 C ATOM 618 CE2 PHE B 216 10.762 -6.709 -0.264 1.00 15.00 C ATOM 619 CZ PHE B 216 11.777 -5.887 -0.716 1.00 15.00 C ATOM 0 H PHE B 216 7.112 -7.134 -2.602 1.00 15.00 H new ATOM 0 HA PHE B 216 8.937 -6.559 -4.865 1.00 15.00 H new ATOM 0 HB2 PHE B 216 8.911 -8.931 -2.980 1.00 15.00 H new ATOM 0 HB3 PHE B 216 10.086 -8.601 -4.238 1.00 15.00 H new ATOM 0 HD1 PHE B 216 11.480 -6.438 -4.026 1.00 15.00 H new ATOM 0 HD2 PHE B 216 9.219 -8.079 -0.811 1.00 15.00 H new ATOM 0 HE1 PHE B 216 12.823 -5.146 -2.426 1.00 15.00 H new ATOM 0 HE2 PHE B 216 10.557 -6.784 0.794 1.00 15.00 H new ATOM 0 HZ PHE B 216 12.370 -5.322 -0.012 1.00 15.00 H new ATOM 629 N GLN B 217 6.492 -8.727 -4.540 1.00 15.00 N ATOM 630 CA GLN B 217 5.511 -9.526 -5.259 1.00 15.00 C ATOM 631 C GLN B 217 4.435 -9.994 -4.286 1.00 15.00 C ATOM 632 O GLN B 217 3.425 -9.280 -4.124 1.00 15.00 O ATOM 633 CB GLN B 217 6.175 -10.737 -5.930 1.00 15.00 C ATOM 634 CG GLN B 217 5.316 -11.386 -7.005 1.00 15.00 C ATOM 635 CD GLN B 217 4.918 -12.813 -6.678 1.00 15.00 C ATOM 636 OE1 GLN B 217 4.766 -13.641 -7.574 1.00 15.00 O ATOM 637 NE2 GLN B 217 4.717 -13.103 -5.405 1.00 15.00 N ATOM 638 OXT GLN B 217 4.627 -11.060 -3.666 1.00 15.00 O ATOM 0 H GLN B 217 6.316 -8.660 -3.538 1.00 15.00 H new ATOM 0 HA GLN B 217 5.061 -8.912 -6.040 1.00 15.00 H new ATOM 0 HB2 GLN B 217 7.120 -10.423 -6.373 1.00 15.00 H new ATOM 0 HB3 GLN B 217 6.411 -11.480 -5.168 1.00 15.00 H new ATOM 0 HG2 GLN B 217 4.415 -10.789 -7.149 1.00 15.00 H new ATOM 0 HG3 GLN B 217 5.860 -11.376 -7.950 1.00 15.00 H new ATOM 0 HE21 GLN B 217 4.854 -12.387 -4.691 1.00 15.00 H new ATOM 0 HE22 GLN B 217 4.425 -14.042 -5.136 1.00 15.00 H new TER 647 GLN B 217