USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 374 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 244 ASN :FLIP amide:sc= -1.08 F(o=-2.5!,f=-1.2) USER MOD Set 1.2: A 247 LYS NZ :NH3+ 163:sc= -0.108 (180deg=0) USER MOD Set 2.1: A 230 TYR OH : rot -11:sc= -3.63! USER MOD Set 2.2: A 246 CYS SG : rot 25:sc= -3.15! USER MOD Set 3.1: A 184 ASN : amide:sc= -0.282 K(o=-11,f=-13!) USER MOD Set 3.2: A 185 HIS : no HD1:sc= -6.23! C(o=-11!,f=-26!) USER MOD Set 3.3: A 245 TYR OH : rot -148:sc= -4.57! USER MOD Single : A 210 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 211 TYR OH : rot 180:sc= 0 USER MOD Single : A 216 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 225 ASN :FLIP amide:sc= -0.691 F(o=-3.1!,f=-0.69) USER MOD Single : A 226 THR OG1 : rot -130:sc= 1.73! USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 232 SER OG : rot -141:sc= 0.499 USER MOD Single : A 235 GLN : amide:sc= -0.232 K(o=-0.23,f=-1.9!) USER MOD Single : A 240 LYS NZ :NH3+ -155:sc= -0.151 (180deg=-0.712) USER MOD Single : A 248 GLN : amide:sc= -0.0752 K(o=-0.075,f=-2) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 179 6.011 -1.242 -4.202 1.00 0.00 N ATOM 106 CA ILE A 179 5.401 -2.229 -3.266 1.00 0.00 C ATOM 107 C ILE A 179 6.081 -3.594 -3.424 1.00 0.00 C ATOM 108 O ILE A 179 6.194 -4.116 -4.516 1.00 0.00 O ATOM 109 CB ILE A 179 3.908 -2.273 -3.653 1.00 0.00 C ATOM 110 CG1 ILE A 179 3.067 -2.198 -2.383 1.00 0.00 C ATOM 111 CG2 ILE A 179 3.553 -3.567 -4.402 1.00 0.00 C ATOM 112 CD1 ILE A 179 1.582 -2.276 -2.744 1.00 0.00 C ATOM 0 HA ILE A 179 5.524 -1.955 -2.218 1.00 0.00 H new ATOM 0 HB ILE A 179 3.704 -1.429 -4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 179 3.331 -3.015 -1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 179 3.274 -1.269 -1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 179 2.493 -3.561 -4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.146 -3.634 -5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 179 3.768 -4.426 -3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 179 0.983 -2.222 -1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.323 -1.444 -3.399 1.00 0.00 H new ATOM 0 HD13 ILE A 179 1.381 -3.217 -3.256 1.00 0.00 H new ATOM 124 N ASP A 180 6.530 -4.180 -2.347 1.00 0.00 N ATOM 125 CA ASP A 180 7.189 -5.510 -2.457 1.00 0.00 C ATOM 126 C ASP A 180 6.150 -6.612 -2.301 1.00 0.00 C ATOM 127 O ASP A 180 6.092 -7.538 -3.086 1.00 0.00 O ATOM 128 CB ASP A 180 8.205 -5.560 -1.315 1.00 0.00 C ATOM 129 CG ASP A 180 9.393 -6.431 -1.728 1.00 0.00 C ATOM 130 OD1 ASP A 180 9.312 -7.635 -1.547 1.00 0.00 O ATOM 131 OD2 ASP A 180 10.364 -5.880 -2.220 1.00 0.00 O ATOM 0 H ASP A 180 6.469 -3.798 -1.403 1.00 0.00 H new ATOM 0 HA ASP A 180 7.672 -5.654 -3.424 1.00 0.00 H new ATOM 0 HB2 ASP A 180 8.545 -4.553 -1.072 1.00 0.00 H new ATOM 0 HB3 ASP A 180 7.739 -5.964 -0.416 1.00 0.00 H new ATOM 136 N ILE A 181 5.329 -6.529 -1.291 1.00 0.00 N ATOM 137 CA ILE A 181 4.309 -7.592 -1.093 1.00 0.00 C ATOM 138 C ILE A 181 3.148 -7.100 -0.222 1.00 0.00 C ATOM 139 O ILE A 181 3.337 -6.400 0.752 1.00 0.00 O ATOM 140 CB ILE A 181 5.065 -8.693 -0.362 1.00 0.00 C ATOM 141 CG1 ILE A 181 6.034 -9.392 -1.313 1.00 0.00 C ATOM 142 CG2 ILE A 181 4.074 -9.715 0.196 1.00 0.00 C ATOM 143 CD1 ILE A 181 6.606 -10.626 -0.620 1.00 0.00 C ATOM 0 H ILE A 181 5.321 -5.778 -0.601 1.00 0.00 H new ATOM 0 HA ILE A 181 3.870 -7.915 -2.037 1.00 0.00 H new ATOM 0 HB ILE A 181 5.630 -8.246 0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 181 5.520 -9.679 -2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 181 6.838 -8.713 -1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 181 4.618 -10.502 0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 181 3.394 -9.221 0.890 1.00 0.00 H new ATOM 0 HG23 ILE A 181 3.502 -10.152 -0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 181 7.299 -11.132 -1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 181 7.133 -10.324 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 181 5.795 -11.305 -0.358 1.00 0.00 H new ATOM 155 N VAL A 182 1.952 -7.497 -0.551 1.00 0.00 N ATOM 156 CA VAL A 182 0.775 -7.098 0.268 1.00 0.00 C ATOM 157 C VAL A 182 0.587 -8.134 1.381 1.00 0.00 C ATOM 158 O VAL A 182 -0.062 -9.144 1.202 1.00 0.00 O ATOM 159 CB VAL A 182 -0.405 -7.110 -0.704 1.00 0.00 C ATOM 160 CG1 VAL A 182 -1.637 -6.515 -0.022 1.00 0.00 C ATOM 161 CG2 VAL A 182 -0.048 -6.272 -1.935 1.00 0.00 C ATOM 0 H VAL A 182 1.738 -8.084 -1.357 1.00 0.00 H new ATOM 0 HA VAL A 182 0.881 -6.121 0.740 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.621 -8.135 -1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.477 -6.524 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -1.887 -7.107 0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -1.426 -5.489 0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.885 -6.276 -2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 182 0.164 -5.248 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.831 -6.695 -2.421 1.00 0.00 H new ATOM 171 N ILE A 183 1.180 -7.899 2.519 1.00 0.00 N ATOM 172 CA ILE A 183 1.077 -8.875 3.643 1.00 0.00 C ATOM 173 C ILE A 183 -0.385 -9.181 3.984 1.00 0.00 C ATOM 174 O ILE A 183 -0.731 -10.296 4.320 1.00 0.00 O ATOM 175 CB ILE A 183 1.764 -8.191 4.823 1.00 0.00 C ATOM 176 CG1 ILE A 183 3.198 -7.819 4.439 1.00 0.00 C ATOM 177 CG2 ILE A 183 1.794 -9.142 6.019 1.00 0.00 C ATOM 178 CD1 ILE A 183 3.879 -9.018 3.778 1.00 0.00 C ATOM 0 H ILE A 183 1.735 -7.068 2.721 1.00 0.00 H new ATOM 0 HA ILE A 183 1.537 -9.829 3.387 1.00 0.00 H new ATOM 0 HB ILE A 183 1.211 -7.289 5.086 1.00 0.00 H new ATOM 0 HG12 ILE A 183 3.194 -6.969 3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 183 3.755 -7.514 5.325 1.00 0.00 H new ATOM 0 HG21 ILE A 183 2.285 -8.653 6.861 1.00 0.00 H new ATOM 0 HG22 ILE A 183 0.774 -9.408 6.298 1.00 0.00 H new ATOM 0 HG23 ILE A 183 2.344 -10.044 5.753 1.00 0.00 H new ATOM 0 HD11 ILE A 183 4.900 -8.752 3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 183 3.897 -9.856 4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 183 3.326 -9.302 2.882 1.00 0.00 H new ATOM 190 N ASN A 184 -1.243 -8.203 3.914 1.00 0.00 N ATOM 191 CA ASN A 184 -2.675 -8.449 4.250 1.00 0.00 C ATOM 192 C ASN A 184 -3.487 -7.168 4.056 1.00 0.00 C ATOM 193 O ASN A 184 -3.011 -6.202 3.496 1.00 0.00 O ATOM 194 CB ASN A 184 -2.668 -8.858 5.723 1.00 0.00 C ATOM 195 CG ASN A 184 -3.755 -9.903 5.972 1.00 0.00 C ATOM 196 OD1 ASN A 184 -4.408 -10.350 5.049 1.00 0.00 O ATOM 197 ND2 ASN A 184 -3.980 -10.316 7.189 1.00 0.00 N ATOM 0 H ASN A 184 -1.017 -7.247 3.640 1.00 0.00 H new ATOM 0 HA ASN A 184 -3.125 -9.212 3.615 1.00 0.00 H new ATOM 0 HB2 ASN A 184 -1.693 -9.262 5.994 1.00 0.00 H new ATOM 0 HB3 ASN A 184 -2.838 -7.985 6.354 1.00 0.00 H new ATOM 0 HD21 ASN A 184 -4.703 -11.013 7.365 1.00 0.00 H new ATOM 0 HD22 ASN A 184 -3.433 -9.942 7.964 1.00 0.00 H new ATOM 204 N HIS A 185 -4.709 -7.149 4.515 1.00 0.00 N ATOM 205 CA HIS A 185 -5.534 -5.920 4.350 1.00 0.00 C ATOM 206 C HIS A 185 -6.747 -5.944 5.285 1.00 0.00 C ATOM 207 O HIS A 185 -6.990 -6.905 5.987 1.00 0.00 O ATOM 208 CB HIS A 185 -5.978 -5.938 2.880 1.00 0.00 C ATOM 209 CG HIS A 185 -7.194 -6.816 2.716 1.00 0.00 C ATOM 210 ND1 HIS A 185 -7.099 -8.182 2.505 1.00 0.00 N ATOM 211 CD2 HIS A 185 -8.537 -6.532 2.731 1.00 0.00 C ATOM 212 CE1 HIS A 185 -8.350 -8.665 2.400 1.00 0.00 C ATOM 213 NE2 HIS A 185 -9.266 -7.702 2.531 1.00 0.00 N ATOM 0 H HIS A 185 -5.168 -7.924 4.993 1.00 0.00 H new ATOM 0 HA HIS A 185 -4.976 -5.018 4.600 1.00 0.00 H new ATOM 0 HB2 HIS A 185 -6.204 -4.925 2.548 1.00 0.00 H new ATOM 0 HB3 HIS A 185 -5.167 -6.306 2.252 1.00 0.00 H new ATOM 0 HD2 HIS A 185 -8.964 -5.550 2.876 1.00 0.00 H new ATOM 0 HE1 HIS A 185 -8.585 -9.705 2.230 1.00 0.00 H new ATOM 0 HE2 HIS A 185 -10.280 -7.802 2.493 1.00 0.00 H new ATOM 221 N ARG A 186 -7.513 -4.886 5.283 1.00 0.00 N ATOM 222 CA ARG A 186 -8.722 -4.821 6.153 1.00 0.00 C ATOM 223 C ARG A 186 -9.427 -3.477 5.952 1.00 0.00 C ATOM 224 O ARG A 186 -8.986 -2.644 5.184 1.00 0.00 O ATOM 225 CB ARG A 186 -8.201 -4.941 7.585 1.00 0.00 C ATOM 226 CG ARG A 186 -7.470 -3.655 7.974 1.00 0.00 C ATOM 227 CD ARG A 186 -7.146 -3.689 9.470 1.00 0.00 C ATOM 228 NE ARG A 186 -5.957 -4.575 9.583 1.00 0.00 N ATOM 229 CZ ARG A 186 -5.989 -5.614 10.373 1.00 0.00 C ATOM 230 NH1 ARG A 186 -7.012 -6.425 10.348 1.00 0.00 N ATOM 231 NH2 ARG A 186 -4.995 -5.843 11.188 1.00 0.00 N ATOM 0 H ARG A 186 -7.351 -4.057 4.711 1.00 0.00 H new ATOM 0 HA ARG A 186 -9.441 -5.607 5.922 1.00 0.00 H new ATOM 0 HB2 ARG A 186 -9.029 -5.122 8.270 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -7.527 -5.794 7.667 1.00 0.00 H new ATOM 0 HG2 ARG A 186 -6.553 -3.555 7.394 1.00 0.00 H new ATOM 0 HG3 ARG A 186 -8.089 -2.788 7.744 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -6.932 -2.690 9.851 1.00 0.00 H new ATOM 0 HD3 ARG A 186 -7.985 -4.078 10.047 1.00 0.00 H new ATOM 0 HE ARG A 186 -5.116 -4.371 9.043 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -7.788 -6.247 9.710 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -7.035 -7.236 10.966 1.00 0.00 H new ATOM 0 HH21 ARG A 186 -4.195 -5.211 11.207 1.00 0.00 H new ATOM 0 HH22 ARG A 186 -5.019 -6.654 11.806 1.00 0.00 H new ATOM 612 N ASN A 210 -13.281 1.483 0.337 1.00 0.00 N ATOM 613 CA ASN A 210 -13.223 1.566 1.826 1.00 0.00 C ATOM 614 C ASN A 210 -12.398 0.412 2.401 1.00 0.00 C ATOM 615 O ASN A 210 -12.914 -0.461 3.070 1.00 0.00 O ATOM 616 CB ASN A 210 -14.678 1.464 2.283 1.00 0.00 C ATOM 617 CG ASN A 210 -15.326 2.850 2.231 1.00 0.00 C ATOM 618 OD1 ASN A 210 -15.028 3.704 3.042 1.00 0.00 O ATOM 619 ND2 ASN A 210 -16.205 3.111 1.302 1.00 0.00 N ATOM 0 HA ASN A 210 -12.748 2.487 2.165 1.00 0.00 H new ATOM 0 HB2 ASN A 210 -15.224 0.771 1.643 1.00 0.00 H new ATOM 0 HB3 ASN A 210 -14.725 1.066 3.297 1.00 0.00 H new ATOM 0 HD21 ASN A 210 -16.641 4.032 1.257 1.00 0.00 H new ATOM 0 HD22 ASN A 210 -16.455 2.394 0.621 1.00 0.00 H new ATOM 626 N TYR A 211 -11.119 0.401 2.145 1.00 0.00 N ATOM 627 CA TYR A 211 -10.265 -0.699 2.679 1.00 0.00 C ATOM 628 C TYR A 211 -8.786 -0.308 2.646 1.00 0.00 C ATOM 629 O TYR A 211 -8.350 0.449 1.802 1.00 0.00 O ATOM 630 CB TYR A 211 -10.504 -1.873 1.742 1.00 0.00 C ATOM 631 CG TYR A 211 -11.285 -2.949 2.454 1.00 0.00 C ATOM 632 CD1 TYR A 211 -10.611 -3.890 3.241 1.00 0.00 C ATOM 633 CD2 TYR A 211 -12.677 -3.011 2.326 1.00 0.00 C ATOM 634 CE1 TYR A 211 -11.330 -4.894 3.901 1.00 0.00 C ATOM 635 CE2 TYR A 211 -13.396 -4.014 2.987 1.00 0.00 C ATOM 636 CZ TYR A 211 -12.722 -4.955 3.774 1.00 0.00 C ATOM 637 OH TYR A 211 -13.430 -5.945 4.423 1.00 0.00 O ATOM 0 H TYR A 211 -10.629 1.103 1.591 1.00 0.00 H new ATOM 0 HA TYR A 211 -10.512 -0.929 3.715 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -11.050 -1.539 0.859 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -9.551 -2.273 1.395 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -9.537 -3.842 3.339 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -13.196 -2.285 1.718 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -10.810 -5.621 4.508 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -14.471 -4.062 2.890 1.00 0.00 H new ATOM 0 HH TYR A 211 -14.386 -5.844 4.231 1.00 0.00 H new ATOM 647 N GLU A 212 -8.007 -0.846 3.544 1.00 0.00 N ATOM 648 CA GLU A 212 -6.550 -0.537 3.551 1.00 0.00 C ATOM 649 C GLU A 212 -5.774 -1.822 3.247 1.00 0.00 C ATOM 650 O GLU A 212 -6.357 -2.869 3.054 1.00 0.00 O ATOM 651 CB GLU A 212 -6.247 -0.027 4.962 1.00 0.00 C ATOM 652 CG GLU A 212 -6.465 -1.150 5.976 1.00 0.00 C ATOM 653 CD GLU A 212 -5.991 -0.687 7.356 1.00 0.00 C ATOM 654 OE1 GLU A 212 -5.398 0.376 7.431 1.00 0.00 O ATOM 655 OE2 GLU A 212 -6.230 -1.403 8.313 1.00 0.00 O ATOM 0 H GLU A 212 -8.318 -1.487 4.274 1.00 0.00 H new ATOM 0 HA GLU A 212 -6.266 0.204 2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -5.219 0.330 5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -6.891 0.820 5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -7.520 -1.421 6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -5.917 -2.042 5.671 1.00 0.00 H new ATOM 662 N PHE A 213 -4.473 -1.763 3.189 1.00 0.00 N ATOM 663 CA PHE A 213 -3.701 -3.002 2.881 1.00 0.00 C ATOM 664 C PHE A 213 -2.319 -2.965 3.529 1.00 0.00 C ATOM 665 O PHE A 213 -1.613 -1.979 3.445 1.00 0.00 O ATOM 666 CB PHE A 213 -3.541 -2.999 1.360 1.00 0.00 C ATOM 667 CG PHE A 213 -4.888 -3.112 0.692 1.00 0.00 C ATOM 668 CD1 PHE A 213 -5.414 -4.374 0.394 1.00 0.00 C ATOM 669 CD2 PHE A 213 -5.606 -1.957 0.361 1.00 0.00 C ATOM 670 CE1 PHE A 213 -6.657 -4.481 -0.238 1.00 0.00 C ATOM 671 CE2 PHE A 213 -6.851 -2.064 -0.269 1.00 0.00 C ATOM 672 CZ PHE A 213 -7.375 -3.327 -0.569 1.00 0.00 C ATOM 0 H PHE A 213 -3.915 -0.922 3.339 1.00 0.00 H new ATOM 0 HA PHE A 213 -4.211 -3.889 3.257 1.00 0.00 H new ATOM 0 HB2 PHE A 213 -3.045 -2.082 1.041 1.00 0.00 H new ATOM 0 HB3 PHE A 213 -2.904 -3.829 1.053 1.00 0.00 H new ATOM 0 HD1 PHE A 213 -4.860 -5.265 0.652 1.00 0.00 H new ATOM 0 HD2 PHE A 213 -5.199 -0.983 0.592 1.00 0.00 H new ATOM 0 HE1 PHE A 213 -7.063 -5.455 -0.471 1.00 0.00 H new ATOM 0 HE2 PHE A 213 -7.407 -1.174 -0.523 1.00 0.00 H new ATOM 0 HZ PHE A 213 -8.335 -3.411 -1.057 1.00 0.00 H new ATOM 682 N LEU A 214 -1.905 -4.040 4.144 1.00 0.00 N ATOM 683 CA LEU A 214 -0.545 -4.052 4.745 1.00 0.00 C ATOM 684 C LEU A 214 0.462 -4.137 3.612 1.00 0.00 C ATOM 685 O LEU A 214 0.525 -5.118 2.896 1.00 0.00 O ATOM 686 CB LEU A 214 -0.477 -5.306 5.617 1.00 0.00 C ATOM 687 CG LEU A 214 0.760 -5.275 6.535 1.00 0.00 C ATOM 688 CD1 LEU A 214 1.075 -3.851 6.999 1.00 0.00 C ATOM 689 CD2 LEU A 214 0.489 -6.155 7.755 1.00 0.00 C ATOM 0 H LEU A 214 -2.443 -4.899 4.254 1.00 0.00 H new ATOM 0 HA LEU A 214 -0.333 -3.163 5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 214 -1.381 -5.382 6.221 1.00 0.00 H new ATOM 0 HB3 LEU A 214 -0.442 -6.192 4.983 1.00 0.00 H new ATOM 0 HG LEU A 214 1.618 -5.646 5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 214 1.953 -3.865 7.645 1.00 0.00 H new ATOM 0 HD12 LEU A 214 1.272 -3.221 6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 214 0.224 -3.452 7.551 1.00 0.00 H new ATOM 0 HD21 LEU A 214 1.358 -6.142 8.413 1.00 0.00 H new ATOM 0 HD22 LEU A 214 -0.380 -5.774 8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 214 0.295 -7.177 7.430 1.00 0.00 H new ATOM 701 N ILE A 215 1.220 -3.110 3.411 1.00 0.00 N ATOM 702 CA ILE A 215 2.181 -3.131 2.287 1.00 0.00 C ATOM 703 C ILE A 215 3.596 -3.479 2.740 1.00 0.00 C ATOM 704 O ILE A 215 4.267 -2.684 3.365 1.00 0.00 O ATOM 705 CB ILE A 215 2.158 -1.716 1.735 1.00 0.00 C ATOM 706 CG1 ILE A 215 0.714 -1.230 1.587 1.00 0.00 C ATOM 707 CG2 ILE A 215 2.845 -1.720 0.379 1.00 0.00 C ATOM 708 CD1 ILE A 215 -0.084 -2.226 0.750 1.00 0.00 C ATOM 0 H ILE A 215 1.218 -2.259 3.973 1.00 0.00 H new ATOM 0 HA ILE A 215 1.904 -3.889 1.554 1.00 0.00 H new ATOM 0 HB ILE A 215 2.678 -1.043 2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 215 0.256 -1.118 2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.698 -0.248 1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 215 2.839 -0.712 -0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 215 3.875 -2.059 0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 215 2.315 -2.392 -0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -1.111 -1.875 0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.368 -2.316 -0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.080 -3.199 1.241 1.00 0.00 H new ATOM 720 N LYS A 216 4.076 -4.639 2.392 1.00 0.00 N ATOM 721 CA LYS A 216 5.475 -4.988 2.765 1.00 0.00 C ATOM 722 C LYS A 216 6.422 -4.238 1.824 1.00 0.00 C ATOM 723 O LYS A 216 6.653 -4.652 0.704 1.00 0.00 O ATOM 724 CB LYS A 216 5.608 -6.500 2.560 1.00 0.00 C ATOM 725 CG LYS A 216 7.088 -6.887 2.629 1.00 0.00 C ATOM 726 CD LYS A 216 7.237 -8.394 2.410 1.00 0.00 C ATOM 727 CE LYS A 216 8.309 -8.941 3.355 1.00 0.00 C ATOM 728 NZ LYS A 216 8.371 -10.401 3.064 1.00 0.00 N ATOM 0 H LYS A 216 3.568 -5.354 1.871 1.00 0.00 H new ATOM 0 HA LYS A 216 5.716 -4.717 3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 216 5.044 -7.034 3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 216 5.189 -6.787 1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 216 7.652 -6.342 1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 216 7.502 -6.608 3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 216 6.286 -8.895 2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 216 7.511 -8.597 1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 216 9.272 -8.462 3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 216 8.048 -8.757 4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 216 9.086 -10.847 3.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 216 7.442 -10.831 3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 216 8.629 -10.546 2.067 1.00 0.00 H new ATOM 742 N TRP A 217 6.955 -3.127 2.248 1.00 0.00 N ATOM 743 CA TRP A 217 7.867 -2.358 1.353 1.00 0.00 C ATOM 744 C TRP A 217 9.273 -2.962 1.393 1.00 0.00 C ATOM 745 O TRP A 217 9.582 -3.789 2.228 1.00 0.00 O ATOM 746 CB TRP A 217 7.874 -0.934 1.911 1.00 0.00 C ATOM 747 CG TRP A 217 6.471 -0.422 2.011 1.00 0.00 C ATOM 748 CD1 TRP A 217 5.665 -0.572 3.085 1.00 0.00 C ATOM 749 CD2 TRP A 217 5.693 0.314 1.019 1.00 0.00 C ATOM 750 NE1 TRP A 217 4.453 0.035 2.826 1.00 0.00 N ATOM 751 CE2 TRP A 217 4.416 0.590 1.563 1.00 0.00 C ATOM 752 CE3 TRP A 217 5.969 0.767 -0.286 1.00 0.00 C ATOM 753 CZ2 TRP A 217 3.444 1.288 0.841 1.00 0.00 C ATOM 754 CZ3 TRP A 217 4.993 1.471 -1.016 1.00 0.00 C ATOM 755 CH2 TRP A 217 3.734 1.729 -0.454 1.00 0.00 C ATOM 0 H TRP A 217 6.801 -2.719 3.170 1.00 0.00 H new ATOM 0 HA TRP A 217 7.540 -2.380 0.313 1.00 0.00 H new ATOM 0 HB2 TRP A 217 8.347 -0.921 2.893 1.00 0.00 H new ATOM 0 HB3 TRP A 217 8.463 -0.283 1.265 1.00 0.00 H new ATOM 0 HD1 TRP A 217 5.927 -1.084 3.999 1.00 0.00 H new ATOM 0 HE1 TRP A 217 3.678 0.069 3.488 1.00 0.00 H new ATOM 0 HE3 TRP A 217 6.935 0.573 -0.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 217 2.477 1.485 1.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 217 5.215 1.815 -2.015 1.00 0.00 H new ATOM 0 HH2 TRP A 217 2.989 2.268 -1.021 1.00 0.00 H new ATOM 871 N ASN A 225 6.999 -3.487 7.197 1.00 0.00 N ATOM 872 CA ASN A 225 5.633 -3.481 6.595 1.00 0.00 C ATOM 873 C ASN A 225 4.795 -2.350 7.189 1.00 0.00 C ATOM 874 O ASN A 225 5.013 -1.915 8.302 1.00 0.00 O ATOM 875 CB ASN A 225 5.032 -4.841 6.958 1.00 0.00 C ATOM 876 CG ASN A 225 6.018 -5.957 6.597 1.00 0.00 C ATOM 877 OD1 ASN A 225 6.984 -5.713 5.753 1.00 0.00 O flip ATOM 878 ND2 ASN A 225 5.907 -7.061 7.090 1.00 0.00 N flip ATOM 0 HA ASN A 225 5.660 -3.321 5.517 1.00 0.00 H new ATOM 0 HB2 ASN A 225 4.804 -4.875 8.023 1.00 0.00 H new ATOM 0 HB3 ASN A 225 4.092 -4.987 6.426 1.00 0.00 H new ATOM 0 HD21 ASN A 225 5.152 -7.252 7.749 1.00 0.00 H new ATOM 0 HD22 ASN A 225 6.568 -7.798 6.845 1.00 0.00 H new ATOM 885 N THR A 226 3.832 -1.876 6.451 1.00 0.00 N ATOM 886 CA THR A 226 2.969 -0.779 6.960 1.00 0.00 C ATOM 887 C THR A 226 1.559 -0.939 6.396 1.00 0.00 C ATOM 888 O THR A 226 1.341 -1.667 5.449 1.00 0.00 O ATOM 889 CB THR A 226 3.608 0.509 6.446 1.00 0.00 C ATOM 890 OG1 THR A 226 3.397 0.614 5.044 1.00 0.00 O ATOM 891 CG2 THR A 226 5.108 0.491 6.738 1.00 0.00 C ATOM 0 H THR A 226 3.605 -2.204 5.512 1.00 0.00 H new ATOM 0 HA THR A 226 2.890 -0.779 8.047 1.00 0.00 H new ATOM 0 HB THR A 226 3.154 1.364 6.948 1.00 0.00 H new ATOM 0 HG1 THR A 226 4.249 0.801 4.598 1.00 0.00 H new ATOM 0 HG21 THR A 226 5.561 1.411 6.370 1.00 0.00 H new ATOM 0 HG22 THR A 226 5.268 0.412 7.813 1.00 0.00 H new ATOM 0 HG23 THR A 226 5.566 -0.363 6.239 1.00 0.00 H new ATOM 899 N TRP A 227 0.600 -0.271 6.964 1.00 0.00 N ATOM 900 CA TRP A 227 -0.787 -0.404 6.447 1.00 0.00 C ATOM 901 C TRP A 227 -1.187 0.849 5.668 1.00 0.00 C ATOM 902 O TRP A 227 -1.670 1.815 6.224 1.00 0.00 O ATOM 903 CB TRP A 227 -1.652 -0.585 7.689 1.00 0.00 C ATOM 904 CG TRP A 227 -1.589 -2.016 8.104 1.00 0.00 C ATOM 905 CD1 TRP A 227 -0.618 -2.563 8.872 1.00 0.00 C ATOM 906 CD2 TRP A 227 -2.503 -3.096 7.766 1.00 0.00 C ATOM 907 NE1 TRP A 227 -0.887 -3.911 9.035 1.00 0.00 N ATOM 908 CE2 TRP A 227 -2.039 -4.285 8.373 1.00 0.00 C ATOM 909 CE3 TRP A 227 -3.683 -3.156 7.003 1.00 0.00 C ATOM 910 CZ2 TRP A 227 -2.723 -5.492 8.225 1.00 0.00 C ATOM 911 CZ3 TRP A 227 -4.370 -4.370 6.853 1.00 0.00 C ATOM 912 CH2 TRP A 227 -3.889 -5.536 7.464 1.00 0.00 C ATOM 0 H TRP A 227 0.714 0.358 7.759 1.00 0.00 H new ATOM 0 HA TRP A 227 -0.897 -1.240 5.756 1.00 0.00 H new ATOM 0 HB2 TRP A 227 -1.298 0.059 8.494 1.00 0.00 H new ATOM 0 HB3 TRP A 227 -2.682 -0.296 7.479 1.00 0.00 H new ATOM 0 HD1 TRP A 227 0.227 -2.035 9.289 1.00 0.00 H new ATOM 0 HE1 TRP A 227 -0.305 -4.549 9.578 1.00 0.00 H new ATOM 0 HE3 TRP A 227 -4.062 -2.262 6.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 227 -2.350 -6.388 8.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 227 -5.274 -4.406 6.264 1.00 0.00 H new ATOM 0 HH2 TRP A 227 -4.422 -6.468 7.345 1.00 0.00 H new ATOM 923 N GLU A 228 -0.987 0.833 4.380 1.00 0.00 N ATOM 924 CA GLU A 228 -1.351 2.015 3.553 1.00 0.00 C ATOM 925 C GLU A 228 -2.681 1.770 2.840 1.00 0.00 C ATOM 926 O GLU A 228 -3.321 0.754 3.030 1.00 0.00 O ATOM 927 CB GLU A 228 -0.212 2.155 2.543 1.00 0.00 C ATOM 928 CG GLU A 228 1.055 2.609 3.270 1.00 0.00 C ATOM 929 CD GLU A 228 0.800 3.961 3.939 1.00 0.00 C ATOM 930 OE1 GLU A 228 0.414 4.883 3.238 1.00 0.00 O ATOM 931 OE2 GLU A 228 0.994 4.053 5.140 1.00 0.00 O ATOM 0 H GLU A 228 -0.586 0.050 3.864 1.00 0.00 H new ATOM 0 HA GLU A 228 -1.476 2.918 4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 228 -0.036 1.203 2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 228 -0.481 2.877 1.772 1.00 0.00 H new ATOM 0 HG2 GLU A 228 1.343 1.870 4.017 1.00 0.00 H new ATOM 0 HG3 GLU A 228 1.883 2.690 2.565 1.00 0.00 H new ATOM 938 N THR A 229 -3.098 2.686 2.014 1.00 0.00 N ATOM 939 CA THR A 229 -4.378 2.504 1.282 1.00 0.00 C ATOM 940 C THR A 229 -4.199 2.978 -0.154 1.00 0.00 C ATOM 941 O THR A 229 -3.341 3.789 -0.442 1.00 0.00 O ATOM 942 CB THR A 229 -5.394 3.380 2.017 1.00 0.00 C ATOM 943 OG1 THR A 229 -4.834 4.666 2.240 1.00 0.00 O ATOM 944 CG2 THR A 229 -5.754 2.737 3.357 1.00 0.00 C ATOM 0 H THR A 229 -2.605 3.556 1.814 1.00 0.00 H new ATOM 0 HA THR A 229 -4.703 1.464 1.251 1.00 0.00 H new ATOM 0 HB THR A 229 -6.295 3.476 1.412 1.00 0.00 H new ATOM 0 HG1 THR A 229 -5.484 5.229 2.709 1.00 0.00 H new ATOM 0 HG21 THR A 229 -6.478 3.363 3.878 1.00 0.00 H new ATOM 0 HG22 THR A 229 -6.186 1.751 3.183 1.00 0.00 H new ATOM 0 HG23 THR A 229 -4.855 2.637 3.966 1.00 0.00 H new ATOM 952 N TYR A 230 -4.980 2.478 -1.062 1.00 0.00 N ATOM 953 CA TYR A 230 -4.822 2.907 -2.477 1.00 0.00 C ATOM 954 C TYR A 230 -4.658 4.426 -2.549 1.00 0.00 C ATOM 955 O TYR A 230 -3.954 4.947 -3.392 1.00 0.00 O ATOM 956 CB TYR A 230 -6.114 2.478 -3.174 1.00 0.00 C ATOM 957 CG TYR A 230 -5.969 1.081 -3.727 1.00 0.00 C ATOM 958 CD1 TYR A 230 -5.402 0.885 -4.992 1.00 0.00 C ATOM 959 CD2 TYR A 230 -6.416 -0.016 -2.983 1.00 0.00 C ATOM 960 CE1 TYR A 230 -5.282 -0.410 -5.511 1.00 0.00 C ATOM 961 CE2 TYR A 230 -6.293 -1.311 -3.501 1.00 0.00 C ATOM 962 CZ TYR A 230 -5.727 -1.507 -4.766 1.00 0.00 C ATOM 963 OH TYR A 230 -5.609 -2.783 -5.279 1.00 0.00 O ATOM 0 H TYR A 230 -5.718 1.795 -0.890 1.00 0.00 H new ATOM 0 HA TYR A 230 -3.942 2.465 -2.945 1.00 0.00 H new ATOM 0 HB2 TYR A 230 -6.945 2.514 -2.469 1.00 0.00 H new ATOM 0 HB3 TYR A 230 -6.349 3.173 -3.980 1.00 0.00 H new ATOM 0 HD1 TYR A 230 -5.057 1.732 -5.567 1.00 0.00 H new ATOM 0 HD2 TYR A 230 -6.856 0.136 -2.009 1.00 0.00 H new ATOM 0 HE1 TYR A 230 -4.846 -0.562 -6.487 1.00 0.00 H new ATOM 0 HE2 TYR A 230 -6.635 -2.158 -2.925 1.00 0.00 H new ATOM 0 HH TYR A 230 -5.370 -2.733 -6.228 1.00 0.00 H new ATOM 973 N GLU A 231 -5.307 5.140 -1.672 1.00 0.00 N ATOM 974 CA GLU A 231 -5.192 6.627 -1.686 1.00 0.00 C ATOM 975 C GLU A 231 -3.749 7.045 -1.399 1.00 0.00 C ATOM 976 O GLU A 231 -3.381 8.193 -1.557 1.00 0.00 O ATOM 977 CB GLU A 231 -6.122 7.103 -0.570 1.00 0.00 C ATOM 978 CG GLU A 231 -7.223 7.984 -1.163 1.00 0.00 C ATOM 979 CD GLU A 231 -7.018 9.432 -0.712 1.00 0.00 C ATOM 980 OE1 GLU A 231 -6.287 9.637 0.241 1.00 0.00 O ATOM 981 OE2 GLU A 231 -7.599 10.310 -1.329 1.00 0.00 O ATOM 0 H GLU A 231 -5.913 4.759 -0.945 1.00 0.00 H new ATOM 0 HA GLU A 231 -5.461 7.056 -2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -6.563 6.247 -0.059 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.556 7.662 0.175 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -7.204 7.925 -2.251 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -8.201 7.627 -0.842 1.00 0.00 H new ATOM 988 N SER A 232 -2.929 6.123 -0.976 1.00 0.00 N ATOM 989 CA SER A 232 -1.509 6.469 -0.676 1.00 0.00 C ATOM 990 C SER A 232 -0.562 5.514 -1.413 1.00 0.00 C ATOM 991 O SER A 232 0.574 5.844 -1.688 1.00 0.00 O ATOM 992 CB SER A 232 -1.374 6.300 0.836 1.00 0.00 C ATOM 993 OG SER A 232 -0.201 6.971 1.280 1.00 0.00 O ATOM 0 H SER A 232 -3.179 5.146 -0.825 1.00 0.00 H new ATOM 0 HA SER A 232 -1.252 7.478 -0.998 1.00 0.00 H new ATOM 0 HB2 SER A 232 -2.252 6.706 1.339 1.00 0.00 H new ATOM 0 HB3 SER A 232 -1.321 5.242 1.092 1.00 0.00 H new ATOM 0 HG SER A 232 0.236 6.439 1.977 1.00 0.00 H new ATOM 999 N ILE A 233 -1.023 4.336 -1.736 1.00 0.00 N ATOM 1000 CA ILE A 233 -0.150 3.361 -2.461 1.00 0.00 C ATOM 1001 C ILE A 233 -0.687 3.159 -3.885 1.00 0.00 C ATOM 1002 O ILE A 233 -0.249 2.286 -4.609 1.00 0.00 O ATOM 1003 CB ILE A 233 -0.179 2.043 -1.629 1.00 0.00 C ATOM 1004 CG1 ILE A 233 -0.525 0.840 -2.517 1.00 0.00 C ATOM 1005 CG2 ILE A 233 -1.205 2.119 -0.492 1.00 0.00 C ATOM 1006 CD1 ILE A 233 -0.703 -0.401 -1.642 1.00 0.00 C ATOM 0 H ILE A 233 -1.965 4.004 -1.531 1.00 0.00 H new ATOM 0 HA ILE A 233 0.877 3.712 -2.559 1.00 0.00 H new ATOM 0 HB ILE A 233 0.818 1.916 -1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 233 -1.439 1.038 -3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 233 0.267 0.673 -3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 233 -1.198 1.183 0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 233 -0.949 2.942 0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 233 -2.198 2.286 -0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 233 -0.949 -1.257 -2.270 1.00 0.00 H new ATOM 0 HD12 ILE A 233 0.222 -0.601 -1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 233 -1.510 -0.231 -0.929 1.00 0.00 H new ATOM 1018 N GLY A 234 -1.633 3.960 -4.291 1.00 0.00 N ATOM 1019 CA GLY A 234 -2.199 3.812 -5.661 1.00 0.00 C ATOM 1020 C GLY A 234 -1.356 4.599 -6.669 1.00 0.00 C ATOM 1021 O GLY A 234 -1.878 5.339 -7.479 1.00 0.00 O ATOM 0 H GLY A 234 -2.039 4.711 -3.733 1.00 0.00 H new ATOM 0 HA2 GLY A 234 -2.224 2.759 -5.940 1.00 0.00 H new ATOM 0 HA3 GLY A 234 -3.228 4.171 -5.678 1.00 0.00 H new ATOM 1025 N GLN A 235 -0.058 4.444 -6.635 1.00 0.00 N ATOM 1026 CA GLN A 235 0.801 5.188 -7.604 1.00 0.00 C ATOM 1027 C GLN A 235 2.277 4.811 -7.425 1.00 0.00 C ATOM 1028 O GLN A 235 3.150 5.655 -7.465 1.00 0.00 O ATOM 1029 CB GLN A 235 0.585 6.665 -7.274 1.00 0.00 C ATOM 1030 CG GLN A 235 1.200 6.978 -5.908 1.00 0.00 C ATOM 1031 CD GLN A 235 0.311 7.977 -5.166 1.00 0.00 C ATOM 1032 OE1 GLN A 235 -0.891 7.988 -5.346 1.00 0.00 O ATOM 1033 NE2 GLN A 235 0.854 8.821 -4.333 1.00 0.00 N ATOM 0 H GLN A 235 0.442 3.839 -5.983 1.00 0.00 H new ATOM 0 HA GLN A 235 0.542 4.954 -8.637 1.00 0.00 H new ATOM 0 HB2 GLN A 235 1.041 7.291 -8.042 1.00 0.00 H new ATOM 0 HB3 GLN A 235 -0.480 6.895 -7.266 1.00 0.00 H new ATOM 0 HG2 GLN A 235 1.302 6.063 -5.325 1.00 0.00 H new ATOM 0 HG3 GLN A 235 2.202 7.389 -6.034 1.00 0.00 H new ATOM 0 HE21 GLN A 235 1.863 8.811 -4.182 1.00 0.00 H new ATOM 0 HE22 GLN A 235 0.270 9.491 -3.832 1.00 0.00 H new ATOM 1042 N VAL A 236 2.564 3.552 -7.234 1.00 0.00 N ATOM 1043 CA VAL A 236 3.986 3.123 -7.058 1.00 0.00 C ATOM 1044 C VAL A 236 4.119 1.629 -7.352 1.00 0.00 C ATOM 1045 O VAL A 236 4.831 0.916 -6.673 1.00 0.00 O ATOM 1046 CB VAL A 236 4.307 3.397 -5.588 1.00 0.00 C ATOM 1047 CG1 VAL A 236 4.381 4.904 -5.345 1.00 0.00 C ATOM 1048 CG2 VAL A 236 3.211 2.793 -4.708 1.00 0.00 C ATOM 0 H VAL A 236 1.877 2.800 -7.192 1.00 0.00 H new ATOM 0 HA VAL A 236 4.661 3.651 -7.731 1.00 0.00 H new ATOM 0 HB VAL A 236 5.268 2.946 -5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 236 4.610 5.093 -4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 236 5.163 5.335 -5.970 1.00 0.00 H new ATOM 0 HG13 VAL A 236 3.423 5.360 -5.595 1.00 0.00 H new ATOM 0 HG21 VAL A 236 3.438 2.987 -3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 236 2.251 3.244 -4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 236 3.162 1.717 -4.875 1.00 0.00 H new ATOM 1058 N ARG A 237 3.416 1.142 -8.344 1.00 0.00 N ATOM 1059 CA ARG A 237 3.475 -0.316 -8.673 1.00 0.00 C ATOM 1060 C ARG A 237 2.704 -1.117 -7.616 1.00 0.00 C ATOM 1061 O ARG A 237 2.543 -2.323 -7.718 1.00 0.00 O ATOM 1062 CB ARG A 237 4.961 -0.687 -8.654 1.00 0.00 C ATOM 1063 CG ARG A 237 5.224 -1.792 -9.681 1.00 0.00 C ATOM 1064 CD ARG A 237 6.411 -2.643 -9.224 1.00 0.00 C ATOM 1065 NE ARG A 237 6.610 -3.641 -10.312 1.00 0.00 N ATOM 1066 CZ ARG A 237 7.268 -3.310 -11.389 1.00 0.00 C ATOM 1067 NH1 ARG A 237 6.647 -2.730 -12.380 1.00 0.00 N ATOM 1068 NH2 ARG A 237 8.546 -3.559 -11.479 1.00 0.00 N ATOM 0 H ARG A 237 2.801 1.694 -8.943 1.00 0.00 H new ATOM 0 HA ARG A 237 3.025 -0.537 -9.641 1.00 0.00 H new ATOM 0 HB2 ARG A 237 5.568 0.189 -8.882 1.00 0.00 H new ATOM 0 HB3 ARG A 237 5.250 -1.024 -7.659 1.00 0.00 H new ATOM 0 HG2 ARG A 237 4.338 -2.416 -9.794 1.00 0.00 H new ATOM 0 HG3 ARG A 237 5.432 -1.354 -10.657 1.00 0.00 H new ATOM 0 HD2 ARG A 237 7.302 -2.032 -9.080 1.00 0.00 H new ATOM 0 HD3 ARG A 237 6.203 -3.132 -8.272 1.00 0.00 H new ATOM 0 HE ARG A 237 6.232 -4.583 -10.215 1.00 0.00 H new ATOM 0 HH11 ARG A 237 5.648 -2.536 -12.312 1.00 0.00 H new ATOM 0 HH12 ARG A 237 7.161 -2.471 -13.222 1.00 0.00 H new ATOM 0 HH21 ARG A 237 9.033 -4.013 -10.706 1.00 0.00 H new ATOM 0 HH22 ARG A 237 9.058 -3.299 -12.322 1.00 0.00 H new ATOM 1082 N GLY A 238 2.211 -0.450 -6.604 1.00 0.00 N ATOM 1083 CA GLY A 238 1.446 -1.160 -5.552 1.00 0.00 C ATOM 1084 C GLY A 238 0.163 -1.697 -6.163 1.00 0.00 C ATOM 1085 O GLY A 238 -0.105 -2.873 -6.117 1.00 0.00 O ATOM 0 H GLY A 238 2.309 0.556 -6.466 1.00 0.00 H new ATOM 0 HA2 GLY A 238 2.039 -1.976 -5.139 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.218 -0.483 -4.728 1.00 0.00 H new ATOM 1089 N LEU A 239 -0.632 -0.847 -6.746 1.00 0.00 N ATOM 1090 CA LEU A 239 -1.898 -1.324 -7.364 1.00 0.00 C ATOM 1091 C LEU A 239 -1.653 -2.620 -8.135 1.00 0.00 C ATOM 1092 O LEU A 239 -2.491 -3.493 -8.169 1.00 0.00 O ATOM 1093 CB LEU A 239 -2.330 -0.205 -8.312 1.00 0.00 C ATOM 1094 CG LEU A 239 -2.455 1.104 -7.534 1.00 0.00 C ATOM 1095 CD1 LEU A 239 -1.416 2.102 -8.047 1.00 0.00 C ATOM 1096 CD2 LEU A 239 -3.859 1.682 -7.730 1.00 0.00 C ATOM 0 H LEU A 239 -0.461 0.156 -6.821 1.00 0.00 H new ATOM 0 HA LEU A 239 -2.664 -1.539 -6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 239 -1.602 -0.094 -9.116 1.00 0.00 H new ATOM 0 HB3 LEU A 239 -3.283 -0.456 -8.777 1.00 0.00 H new ATOM 0 HG LEU A 239 -2.285 0.915 -6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 239 -1.504 3.036 -7.493 1.00 0.00 H new ATOM 0 HD12 LEU A 239 -0.416 1.690 -7.908 1.00 0.00 H new ATOM 0 HD13 LEU A 239 -1.586 2.292 -9.107 1.00 0.00 H new ATOM 0 HD21 LEU A 239 -3.949 2.616 -7.175 1.00 0.00 H new ATOM 0 HD22 LEU A 239 -4.030 1.872 -8.790 1.00 0.00 H new ATOM 0 HD23 LEU A 239 -4.600 0.970 -7.365 1.00 0.00 H new ATOM 1108 N LYS A 240 -0.510 -2.763 -8.748 1.00 0.00 N ATOM 1109 CA LYS A 240 -0.239 -4.023 -9.497 1.00 0.00 C ATOM 1110 C LYS A 240 -0.177 -5.193 -8.520 1.00 0.00 C ATOM 1111 O LYS A 240 -0.951 -6.125 -8.605 1.00 0.00 O ATOM 1112 CB LYS A 240 1.115 -3.818 -10.170 1.00 0.00 C ATOM 1113 CG LYS A 240 1.259 -4.801 -11.333 1.00 0.00 C ATOM 1114 CD LYS A 240 2.089 -6.007 -10.886 1.00 0.00 C ATOM 1115 CE LYS A 240 3.442 -5.528 -10.353 1.00 0.00 C ATOM 1116 NZ LYS A 240 4.450 -6.113 -11.280 1.00 0.00 N ATOM 0 H LYS A 240 0.240 -2.072 -8.763 1.00 0.00 H new ATOM 0 HA LYS A 240 -1.016 -4.245 -10.228 1.00 0.00 H new ATOM 0 HB2 LYS A 240 1.202 -2.794 -10.532 1.00 0.00 H new ATOM 0 HB3 LYS A 240 1.918 -3.970 -9.449 1.00 0.00 H new ATOM 0 HG2 LYS A 240 0.275 -5.128 -11.670 1.00 0.00 H new ATOM 0 HG3 LYS A 240 1.739 -4.310 -12.180 1.00 0.00 H new ATOM 0 HD2 LYS A 240 1.557 -6.561 -10.112 1.00 0.00 H new ATOM 0 HD3 LYS A 240 2.237 -6.690 -11.723 1.00 0.00 H new ATOM 0 HE2 LYS A 240 3.499 -4.440 -10.343 1.00 0.00 H new ATOM 0 HE3 LYS A 240 3.605 -5.865 -9.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 5.362 -6.205 -10.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 4.130 -7.051 -11.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 4.564 -5.492 -12.106 1.00 0.00 H new ATOM 1130 N ARG A 241 0.727 -5.148 -7.581 1.00 0.00 N ATOM 1131 CA ARG A 241 0.809 -6.262 -6.594 1.00 0.00 C ATOM 1132 C ARG A 241 -0.426 -6.217 -5.691 1.00 0.00 C ATOM 1133 O ARG A 241 -0.926 -7.231 -5.241 1.00 0.00 O ATOM 1134 CB ARG A 241 2.086 -5.998 -5.800 1.00 0.00 C ATOM 1135 CG ARG A 241 3.261 -6.699 -6.486 1.00 0.00 C ATOM 1136 CD ARG A 241 4.459 -6.750 -5.534 1.00 0.00 C ATOM 1137 NE ARG A 241 5.649 -6.869 -6.422 1.00 0.00 N ATOM 1138 CZ ARG A 241 6.259 -8.015 -6.550 1.00 0.00 C ATOM 1139 NH1 ARG A 241 6.379 -8.807 -5.519 1.00 0.00 N ATOM 1140 NH2 ARG A 241 6.750 -8.370 -7.705 1.00 0.00 N ATOM 0 H ARG A 241 1.406 -4.397 -7.454 1.00 0.00 H new ATOM 0 HA ARG A 241 0.835 -7.248 -7.059 1.00 0.00 H new ATOM 0 HB2 ARG A 241 2.274 -4.926 -5.737 1.00 0.00 H new ATOM 0 HB3 ARG A 241 1.975 -6.363 -4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 241 2.974 -7.709 -6.779 1.00 0.00 H new ATOM 0 HG3 ARG A 241 3.532 -6.167 -7.398 1.00 0.00 H new ATOM 0 HD2 ARG A 241 4.513 -5.852 -4.919 1.00 0.00 H new ATOM 0 HD3 ARG A 241 4.387 -7.599 -4.854 1.00 0.00 H new ATOM 0 HE ARG A 241 5.988 -6.053 -6.931 1.00 0.00 H new ATOM 0 HH11 ARG A 241 5.996 -8.529 -4.615 1.00 0.00 H new ATOM 0 HH12 ARG A 241 6.856 -9.703 -5.617 1.00 0.00 H new ATOM 0 HH21 ARG A 241 6.657 -7.751 -8.510 1.00 0.00 H new ATOM 0 HH22 ARG A 241 7.227 -9.267 -7.803 1.00 0.00 H new ATOM 1154 N LEU A 242 -0.934 -5.040 -5.453 1.00 0.00 N ATOM 1155 CA LEU A 242 -2.152 -4.895 -4.615 1.00 0.00 C ATOM 1156 C LEU A 242 -3.344 -5.436 -5.398 1.00 0.00 C ATOM 1157 O LEU A 242 -4.257 -6.017 -4.844 1.00 0.00 O ATOM 1158 CB LEU A 242 -2.286 -3.384 -4.399 1.00 0.00 C ATOM 1159 CG LEU A 242 -2.977 -3.095 -3.067 1.00 0.00 C ATOM 1160 CD1 LEU A 242 -4.294 -3.864 -2.996 1.00 0.00 C ATOM 1161 CD2 LEU A 242 -2.071 -3.524 -1.912 1.00 0.00 C ATOM 0 H LEU A 242 -0.551 -4.164 -5.808 1.00 0.00 H new ATOM 0 HA LEU A 242 -2.102 -5.434 -3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -1.300 -2.920 -4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -2.858 -2.943 -5.216 1.00 0.00 H new ATOM 0 HG LEU A 242 -3.177 -2.026 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -4.786 -3.657 -2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -4.942 -3.552 -3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -4.096 -4.933 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -2.567 -3.316 -0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -1.866 -4.592 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.133 -2.970 -1.960 1.00 0.00 H new ATOM 1173 N ASP A 243 -3.329 -5.260 -6.690 1.00 0.00 N ATOM 1174 CA ASP A 243 -4.453 -5.781 -7.519 1.00 0.00 C ATOM 1175 C ASP A 243 -4.444 -7.304 -7.456 1.00 0.00 C ATOM 1176 O ASP A 243 -5.459 -7.935 -7.238 1.00 0.00 O ATOM 1177 CB ASP A 243 -4.179 -5.301 -8.945 1.00 0.00 C ATOM 1178 CG ASP A 243 -4.810 -3.922 -9.151 1.00 0.00 C ATOM 1179 OD1 ASP A 243 -4.929 -3.196 -8.177 1.00 0.00 O ATOM 1180 OD2 ASP A 243 -5.162 -3.616 -10.278 1.00 0.00 O ATOM 0 H ASP A 243 -2.591 -4.781 -7.206 1.00 0.00 H new ATOM 0 HA ASP A 243 -5.426 -5.433 -7.172 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -3.105 -5.251 -9.123 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -4.588 -6.011 -9.664 1.00 0.00 H new ATOM 1185 N ASN A 244 -3.297 -7.901 -7.628 1.00 0.00 N ATOM 1186 CA ASN A 244 -3.221 -9.385 -7.556 1.00 0.00 C ATOM 1187 C ASN A 244 -3.497 -9.837 -6.121 1.00 0.00 C ATOM 1188 O ASN A 244 -3.836 -10.977 -5.874 1.00 0.00 O ATOM 1189 CB ASN A 244 -1.793 -9.737 -7.971 1.00 0.00 C ATOM 1190 CG ASN A 244 -1.500 -11.193 -7.604 1.00 0.00 C ATOM 1191 OD1 ASN A 244 -1.336 -11.515 -6.350 1.00 0.00 O flip ATOM 1192 ND2 ASN A 244 -1.420 -12.046 -8.465 1.00 0.00 N flip ATOM 0 H ASN A 244 -2.413 -7.427 -7.814 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.952 -9.875 -8.199 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -1.668 -9.589 -9.044 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -1.084 -9.075 -7.473 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -1.548 -11.795 -9.445 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -1.225 -13.014 -8.208 1.00 0.00 H new ATOM 1199 N TYR A 245 -3.374 -8.948 -5.170 1.00 0.00 N ATOM 1200 CA TYR A 245 -3.654 -9.337 -3.765 1.00 0.00 C ATOM 1201 C TYR A 245 -5.158 -9.258 -3.527 1.00 0.00 C ATOM 1202 O TYR A 245 -5.759 -10.146 -2.956 1.00 0.00 O ATOM 1203 CB TYR A 245 -2.927 -8.315 -2.894 1.00 0.00 C ATOM 1204 CG TYR A 245 -3.417 -8.450 -1.472 1.00 0.00 C ATOM 1205 CD1 TYR A 245 -2.776 -9.334 -0.595 1.00 0.00 C ATOM 1206 CD2 TYR A 245 -4.515 -7.701 -1.032 1.00 0.00 C ATOM 1207 CE1 TYR A 245 -3.233 -9.467 0.721 1.00 0.00 C ATOM 1208 CE2 TYR A 245 -4.971 -7.834 0.284 1.00 0.00 C ATOM 1209 CZ TYR A 245 -4.330 -8.718 1.161 1.00 0.00 C ATOM 1210 OH TYR A 245 -4.776 -8.853 2.459 1.00 0.00 O ATOM 0 H TYR A 245 -3.094 -7.977 -5.308 1.00 0.00 H new ATOM 0 HA TYR A 245 -3.322 -10.350 -3.538 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -1.850 -8.479 -2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -3.112 -7.306 -3.262 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -1.930 -9.913 -0.934 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -5.010 -7.020 -1.709 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -2.739 -10.148 1.398 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -5.817 -7.255 0.624 1.00 0.00 H new ATOM 0 HH TYR A 245 -5.746 -8.716 2.488 1.00 0.00 H new ATOM 1220 N CYS A 246 -5.769 -8.199 -3.979 1.00 0.00 N ATOM 1221 CA CYS A 246 -7.234 -8.057 -3.799 1.00 0.00 C ATOM 1222 C CYS A 246 -7.946 -9.175 -4.558 1.00 0.00 C ATOM 1223 O CYS A 246 -9.008 -9.624 -4.178 1.00 0.00 O ATOM 1224 CB CYS A 246 -7.579 -6.692 -4.395 1.00 0.00 C ATOM 1225 SG CYS A 246 -7.431 -5.419 -3.116 1.00 0.00 S ATOM 0 H CYS A 246 -5.314 -7.427 -4.465 1.00 0.00 H new ATOM 0 HA CYS A 246 -7.541 -8.124 -2.755 1.00 0.00 H new ATOM 0 HB2 CYS A 246 -6.911 -6.467 -5.226 1.00 0.00 H new ATOM 0 HB3 CYS A 246 -8.593 -6.704 -4.795 1.00 0.00 H new ATOM 0 HG CYS A 246 -6.596 -5.817 -2.203 1.00 0.00 H new ATOM 1231 N LYS A 247 -7.358 -9.635 -5.629 1.00 0.00 N ATOM 1232 CA LYS A 247 -7.996 -10.730 -6.408 1.00 0.00 C ATOM 1233 C LYS A 247 -7.668 -12.076 -5.760 1.00 0.00 C ATOM 1234 O LYS A 247 -8.431 -13.017 -5.838 1.00 0.00 O ATOM 1235 CB LYS A 247 -7.396 -10.624 -7.820 1.00 0.00 C ATOM 1236 CG LYS A 247 -6.029 -11.316 -7.877 1.00 0.00 C ATOM 1237 CD LYS A 247 -5.586 -11.448 -9.335 1.00 0.00 C ATOM 1238 CE LYS A 247 -4.810 -12.754 -9.516 1.00 0.00 C ATOM 1239 NZ LYS A 247 -3.739 -12.433 -10.499 1.00 0.00 N ATOM 0 H LYS A 247 -6.467 -9.300 -5.996 1.00 0.00 H new ATOM 0 HA LYS A 247 -9.083 -10.651 -6.439 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -8.071 -11.080 -8.544 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -7.291 -9.576 -8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -5.294 -10.741 -7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -6.088 -12.300 -7.413 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -6.455 -11.435 -9.993 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -4.961 -10.600 -9.615 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -4.389 -13.097 -8.571 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -5.457 -13.550 -9.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -3.003 -13.167 -10.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -4.145 -12.397 -11.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -3.320 -11.510 -10.266 1.00 0.00 H new ATOM 1253 N GLN A 248 -6.543 -12.166 -5.111 1.00 0.00 N ATOM 1254 CA GLN A 248 -6.170 -13.441 -4.444 1.00 0.00 C ATOM 1255 C GLN A 248 -6.648 -13.411 -2.994 1.00 0.00 C ATOM 1256 O GLN A 248 -6.422 -14.332 -2.234 1.00 0.00 O ATOM 1257 CB GLN A 248 -4.641 -13.490 -4.502 1.00 0.00 C ATOM 1258 CG GLN A 248 -4.180 -14.947 -4.576 1.00 0.00 C ATOM 1259 CD GLN A 248 -4.143 -15.400 -6.037 1.00 0.00 C ATOM 1260 OE1 GLN A 248 -4.838 -14.855 -6.871 1.00 0.00 O ATOM 1261 NE2 GLN A 248 -3.354 -16.380 -6.384 1.00 0.00 N ATOM 0 H GLN A 248 -5.865 -11.410 -5.014 1.00 0.00 H new ATOM 0 HA GLN A 248 -6.618 -14.312 -4.921 1.00 0.00 H new ATOM 0 HB2 GLN A 248 -4.282 -12.939 -5.371 1.00 0.00 H new ATOM 0 HB3 GLN A 248 -4.217 -13.008 -3.621 1.00 0.00 H new ATOM 0 HG2 GLN A 248 -3.192 -15.049 -4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 248 -4.857 -15.583 -4.005 1.00 0.00 H new ATOM 0 HE21 GLN A 248 -2.771 -16.837 -5.684 1.00 0.00 H new ATOM 0 HE22 GLN A 248 -3.321 -16.688 -7.356 1.00 0.00 H new ATOM 1270 N PHE A 249 -7.302 -12.349 -2.600 1.00 0.00 N ATOM 1271 CA PHE A 249 -7.784 -12.255 -1.196 1.00 0.00 C ATOM 1272 C PHE A 249 -9.154 -11.565 -1.116 1.00 0.00 C ATOM 1273 O PHE A 249 -9.888 -11.755 -0.167 1.00 0.00 O ATOM 1274 CB PHE A 249 -6.728 -11.420 -0.473 1.00 0.00 C ATOM 1275 CG PHE A 249 -5.461 -12.226 -0.322 1.00 0.00 C ATOM 1276 CD1 PHE A 249 -5.445 -13.356 0.505 1.00 0.00 C ATOM 1277 CD2 PHE A 249 -4.301 -11.843 -1.006 1.00 0.00 C ATOM 1278 CE1 PHE A 249 -4.271 -14.102 0.648 1.00 0.00 C ATOM 1279 CE2 PHE A 249 -3.125 -12.589 -0.863 1.00 0.00 C ATOM 1280 CZ PHE A 249 -3.110 -13.719 -0.035 1.00 0.00 C ATOM 0 H PHE A 249 -7.521 -11.547 -3.190 1.00 0.00 H new ATOM 0 HA PHE A 249 -7.914 -13.242 -0.753 1.00 0.00 H new ATOM 0 HB2 PHE A 249 -6.526 -10.507 -1.033 1.00 0.00 H new ATOM 0 HB3 PHE A 249 -7.097 -11.117 0.507 1.00 0.00 H new ATOM 0 HD1 PHE A 249 -6.340 -13.651 1.033 1.00 0.00 H new ATOM 0 HD2 PHE A 249 -4.313 -10.972 -1.644 1.00 0.00 H new ATOM 0 HE1 PHE A 249 -4.260 -14.974 1.285 1.00 0.00 H new ATOM 0 HE2 PHE A 249 -2.230 -12.294 -1.391 1.00 0.00 H new ATOM 0 HZ PHE A 249 -2.203 -14.295 0.077 1.00 0.00 H new ATOM 1290 N ILE A 250 -9.511 -10.757 -2.084 1.00 0.00 N ATOM 1291 CA ILE A 250 -10.834 -10.071 -2.005 1.00 0.00 C ATOM 1292 C ILE A 250 -11.708 -10.425 -3.216 1.00 0.00 C ATOM 1293 O ILE A 250 -12.897 -10.178 -3.222 1.00 0.00 O ATOM 1294 CB ILE A 250 -10.502 -8.575 -1.975 1.00 0.00 C ATOM 1295 CG1 ILE A 250 -10.134 -8.171 -0.548 1.00 0.00 C ATOM 1296 CG2 ILE A 250 -11.713 -7.757 -2.422 1.00 0.00 C ATOM 1297 CD1 ILE A 250 -8.691 -7.660 -0.515 1.00 0.00 C ATOM 0 H ILE A 250 -8.953 -10.546 -2.912 1.00 0.00 H new ATOM 0 HA ILE A 250 -11.404 -10.376 -1.127 1.00 0.00 H new ATOM 0 HB ILE A 250 -9.668 -8.383 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -10.813 -7.396 -0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -10.244 -9.024 0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -11.465 -6.696 -2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -11.989 -8.041 -3.438 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -12.550 -7.950 -1.751 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -8.430 -7.372 0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -8.018 -8.448 -0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -8.596 -6.795 -1.172 1.00 0.00 H new ATOM 1309 N ILE A 251 -11.137 -11.003 -4.236 1.00 0.00 N ATOM 1310 CA ILE A 251 -11.953 -11.370 -5.432 1.00 0.00 C ATOM 1311 C ILE A 251 -11.460 -12.701 -6.009 1.00 0.00 C ATOM 1312 O ILE A 251 -10.687 -13.405 -5.390 1.00 0.00 O ATOM 1313 CB ILE A 251 -11.743 -10.229 -6.435 1.00 0.00 C ATOM 1314 CG1 ILE A 251 -11.660 -8.890 -5.695 1.00 0.00 C ATOM 1315 CG2 ILE A 251 -12.918 -10.187 -7.414 1.00 0.00 C ATOM 1316 CD1 ILE A 251 -11.418 -7.762 -6.701 1.00 0.00 C ATOM 0 H ILE A 251 -10.146 -11.237 -4.295 1.00 0.00 H new ATOM 0 HA ILE A 251 -13.008 -11.497 -5.191 1.00 0.00 H new ATOM 0 HB ILE A 251 -10.814 -10.401 -6.978 1.00 0.00 H new ATOM 0 HG12 ILE A 251 -12.584 -8.709 -5.145 1.00 0.00 H new ATOM 0 HG13 ILE A 251 -10.853 -8.917 -4.963 1.00 0.00 H new ATOM 0 HG21 ILE A 251 -12.769 -9.376 -8.127 1.00 0.00 H new ATOM 0 HG22 ILE A 251 -12.979 -11.134 -7.950 1.00 0.00 H new ATOM 0 HG23 ILE A 251 -13.844 -10.021 -6.864 1.00 0.00 H new ATOM 0 HD11 ILE A 251 -11.359 -6.810 -6.173 1.00 0.00 H new ATOM 0 HD12 ILE A 251 -10.483 -7.942 -7.231 1.00 0.00 H new ATOM 0 HD13 ILE A 251 -12.240 -7.730 -7.416 1.00 0.00 H new