USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=7 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 230 TYR OH : rot -120:sc= -2.22! USER MOD Set 1.2: A 246 CYS SG : rot 163:sc= -1.17 USER MOD Set 2.1: A 185 HIS : no HD1:sc= -3.79! C(o=-9!,f=-24!) USER MOD Set 2.2: A 245 TYR OH : rot -140:sc= -5.17! USER MOD Single : A 184 ASN : amide:sc= 0.177 K(o=0.18,f=-3.7!) USER MOD Single : A 210 ASN : amide:sc= -0.0549 K(o=-0.055,f=-0.93) 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 : amide:sc= -1.09! C(o=-1.1!,f=-1.8!) USER MOD Single : A 226 THR OG1 : rot -86:sc= 1.8 USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 232 SER OG : rot 180:sc= 0 USER MOD Single : A 235 GLN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 ASN : amide:sc= -1.57 K(o=-1.6,f=-2.5!) USER MOD Single : A 247 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 248 GLN : amide:sc= -1.96 K(o=-2,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 179 5.993 -1.289 -4.063 1.00 0.00 N ATOM 106 CA ILE A 179 5.388 -2.292 -3.140 1.00 0.00 C ATOM 107 C ILE A 179 6.080 -3.649 -3.304 1.00 0.00 C ATOM 108 O ILE A 179 6.259 -4.134 -4.403 1.00 0.00 O ATOM 109 CB ILE A 179 3.901 -2.354 -3.548 1.00 0.00 C ATOM 110 CG1 ILE A 179 3.039 -2.354 -2.285 1.00 0.00 C ATOM 111 CG2 ILE A 179 3.601 -3.617 -4.366 1.00 0.00 C ATOM 112 CD1 ILE A 179 1.562 -2.478 -2.667 1.00 0.00 C ATOM 0 HA ILE A 179 5.501 -2.023 -2.090 1.00 0.00 H new ATOM 0 HB ILE A 179 3.674 -1.485 -4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 179 3.327 -3.181 -1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 179 3.203 -1.435 -1.722 1.00 0.00 H new ATOM 0 HG21 ILE A 179 2.546 -3.632 -4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.209 -3.618 -5.270 1.00 0.00 H new ATOM 0 HG23 ILE A 179 3.835 -4.500 -3.771 1.00 0.00 H new ATOM 0 HD11 ILE A 179 0.951 -2.478 -1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.277 -1.636 -3.298 1.00 0.00 H new ATOM 0 HD13 ILE A 179 1.404 -3.409 -3.211 1.00 0.00 H new ATOM 124 N ASP A 180 6.460 -4.273 -2.222 1.00 0.00 N ATOM 125 CA ASP A 180 7.123 -5.597 -2.338 1.00 0.00 C ATOM 126 C ASP A 180 6.081 -6.701 -2.185 1.00 0.00 C ATOM 127 O ASP A 180 6.042 -7.640 -2.954 1.00 0.00 O ATOM 128 CB ASP A 180 8.139 -5.647 -1.198 1.00 0.00 C ATOM 129 CG ASP A 180 9.331 -6.506 -1.619 1.00 0.00 C ATOM 130 OD1 ASP A 180 9.815 -6.311 -2.722 1.00 0.00 O ATOM 131 OD2 ASP A 180 9.740 -7.345 -0.832 1.00 0.00 O ATOM 0 H ASP A 180 6.340 -3.924 -1.271 1.00 0.00 H new ATOM 0 HA ASP A 180 7.608 -5.738 -3.304 1.00 0.00 H new ATOM 0 HB2 ASP A 180 8.472 -4.640 -0.949 1.00 0.00 H new ATOM 0 HB3 ASP A 180 7.677 -6.061 -0.302 1.00 0.00 H new ATOM 136 N ILE A 181 5.233 -6.596 -1.198 1.00 0.00 N ATOM 137 CA ILE A 181 4.199 -7.647 -1.000 1.00 0.00 C ATOM 138 C ILE A 181 3.048 -7.131 -0.129 1.00 0.00 C ATOM 139 O ILE A 181 3.244 -6.358 0.784 1.00 0.00 O ATOM 140 CB ILE A 181 4.932 -8.766 -0.260 1.00 0.00 C ATOM 141 CG1 ILE A 181 5.833 -9.539 -1.225 1.00 0.00 C ATOM 142 CG2 ILE A 181 3.915 -9.728 0.365 1.00 0.00 C ATOM 143 CD1 ILE A 181 6.314 -10.821 -0.544 1.00 0.00 C ATOM 0 H ILE A 181 5.213 -5.831 -0.524 1.00 0.00 H new ATOM 0 HA ILE A 181 3.763 -7.967 -1.946 1.00 0.00 H new ATOM 0 HB ILE A 181 5.546 -8.322 0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 181 5.287 -9.780 -2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 181 6.686 -8.925 -1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 181 4.442 -10.524 0.891 1.00 0.00 H new ATOM 0 HG22 ILE A 181 3.284 -9.184 1.068 1.00 0.00 H new ATOM 0 HG23 ILE A 181 3.294 -10.161 -0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 181 6.957 -11.377 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 181 6.874 -10.567 0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 181 5.454 -11.435 -0.275 1.00 0.00 H new ATOM 155 N VAL A 182 1.855 -7.587 -0.386 1.00 0.00 N ATOM 156 CA VAL A 182 0.693 -7.164 0.446 1.00 0.00 C ATOM 157 C VAL A 182 0.485 -8.197 1.562 1.00 0.00 C ATOM 158 O VAL A 182 -0.142 -9.220 1.369 1.00 0.00 O ATOM 159 CB VAL A 182 -0.496 -7.140 -0.517 1.00 0.00 C ATOM 160 CG1 VAL A 182 -1.714 -6.541 0.189 1.00 0.00 C ATOM 161 CG2 VAL A 182 -0.141 -6.282 -1.733 1.00 0.00 C ATOM 0 H VAL A 182 1.633 -8.237 -1.140 1.00 0.00 H new ATOM 0 HA VAL A 182 0.830 -6.193 0.921 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.727 -8.156 -0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.561 -6.524 -0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -1.965 -7.147 1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -1.486 -5.524 0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.985 -6.261 -2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 182 0.087 -5.267 -1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.728 -6.706 -2.236 1.00 0.00 H new ATOM 171 N ILE A 183 1.037 -7.946 2.719 1.00 0.00 N ATOM 172 CA ILE A 183 0.912 -8.918 3.847 1.00 0.00 C ATOM 173 C ILE A 183 -0.555 -9.218 4.174 1.00 0.00 C ATOM 174 O ILE A 183 -0.909 -10.333 4.500 1.00 0.00 O ATOM 175 CB ILE A 183 1.578 -8.231 5.039 1.00 0.00 C ATOM 176 CG1 ILE A 183 3.034 -7.901 4.703 1.00 0.00 C ATOM 177 CG2 ILE A 183 1.540 -9.168 6.247 1.00 0.00 C ATOM 178 CD1 ILE A 183 3.755 -9.169 4.244 1.00 0.00 C ATOM 0 H ILE A 183 1.572 -7.105 2.934 1.00 0.00 H new ATOM 0 HA ILE A 183 1.374 -9.873 3.595 1.00 0.00 H new ATOM 0 HB ILE A 183 1.043 -7.309 5.267 1.00 0.00 H new ATOM 0 HG12 ILE A 183 3.074 -7.144 3.920 1.00 0.00 H new ATOM 0 HG13 ILE A 183 3.534 -7.483 5.577 1.00 0.00 H new ATOM 0 HG21 ILE A 183 2.014 -8.682 7.100 1.00 0.00 H new ATOM 0 HG22 ILE A 183 0.504 -9.403 6.493 1.00 0.00 H new ATOM 0 HG23 ILE A 183 2.074 -10.088 6.011 1.00 0.00 H new ATOM 0 HD11 ILE A 183 4.792 -8.932 4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 183 3.727 -9.912 5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 183 3.261 -9.568 3.358 1.00 0.00 H new ATOM 190 N ASN A 184 -1.404 -8.234 4.107 1.00 0.00 N ATOM 191 CA ASN A 184 -2.839 -8.467 4.435 1.00 0.00 C ATOM 192 C ASN A 184 -3.640 -7.185 4.208 1.00 0.00 C ATOM 193 O ASN A 184 -3.154 -6.238 3.622 1.00 0.00 O ATOM 194 CB ASN A 184 -2.848 -8.849 5.917 1.00 0.00 C ATOM 195 CG ASN A 184 -3.806 -10.021 6.137 1.00 0.00 C ATOM 196 OD1 ASN A 184 -4.993 -9.904 5.902 1.00 0.00 O ATOM 197 ND2 ASN A 184 -3.340 -11.156 6.583 1.00 0.00 N ATOM 0 H ASN A 184 -1.169 -7.278 3.840 1.00 0.00 H new ATOM 0 HA ASN A 184 -3.288 -9.241 3.812 1.00 0.00 H new ATOM 0 HB2 ASN A 184 -1.843 -9.122 6.239 1.00 0.00 H new ATOM 0 HB3 ASN A 184 -3.156 -7.996 6.521 1.00 0.00 H new ATOM 0 HD21 ASN A 184 -3.972 -11.943 6.734 1.00 0.00 H new ATOM 0 HD22 ASN A 184 -2.344 -11.256 6.781 1.00 0.00 H new ATOM 204 N HIS A 185 -4.861 -7.138 4.667 1.00 0.00 N ATOM 205 CA HIS A 185 -5.668 -5.902 4.467 1.00 0.00 C ATOM 206 C HIS A 185 -6.930 -5.923 5.338 1.00 0.00 C ATOM 207 O HIS A 185 -7.133 -6.807 6.145 1.00 0.00 O ATOM 208 CB HIS A 185 -6.036 -5.902 2.979 1.00 0.00 C ATOM 209 CG HIS A 185 -7.201 -6.825 2.733 1.00 0.00 C ATOM 210 ND1 HIS A 185 -7.040 -8.186 2.529 1.00 0.00 N ATOM 211 CD2 HIS A 185 -8.550 -6.592 2.658 1.00 0.00 C ATOM 212 CE1 HIS A 185 -8.263 -8.716 2.344 1.00 0.00 C ATOM 213 NE2 HIS A 185 -9.220 -7.787 2.413 1.00 0.00 N ATOM 0 H HIS A 185 -5.330 -7.893 5.167 1.00 0.00 H new ATOM 0 HA HIS A 185 -5.115 -5.007 4.752 1.00 0.00 H new ATOM 0 HB2 HIS A 185 -6.289 -4.891 2.659 1.00 0.00 H new ATOM 0 HB3 HIS A 185 -5.179 -6.219 2.385 1.00 0.00 H new ATOM 0 HD2 HIS A 185 -9.021 -5.627 2.772 1.00 0.00 H new ATOM 0 HE1 HIS A 185 -8.448 -9.764 2.162 1.00 0.00 H new ATOM 0 HE2 HIS A 185 -10.225 -7.924 2.309 1.00 0.00 H new ATOM 221 N ARG A 186 -7.778 -4.946 5.166 1.00 0.00 N ATOM 222 CA ARG A 186 -9.039 -4.882 5.963 1.00 0.00 C ATOM 223 C ARG A 186 -9.682 -3.501 5.805 1.00 0.00 C ATOM 224 O ARG A 186 -9.146 -2.628 5.151 1.00 0.00 O ATOM 225 CB ARG A 186 -8.630 -5.126 7.421 1.00 0.00 C ATOM 226 CG ARG A 186 -7.289 -4.449 7.713 1.00 0.00 C ATOM 227 CD ARG A 186 -7.318 -3.843 9.118 1.00 0.00 C ATOM 228 NE ARG A 186 -6.051 -4.295 9.758 1.00 0.00 N ATOM 229 CZ ARG A 186 -6.069 -5.272 10.624 1.00 0.00 C ATOM 230 NH1 ARG A 186 -6.455 -6.464 10.259 1.00 0.00 N ATOM 231 NH2 ARG A 186 -5.700 -5.055 11.858 1.00 0.00 N ATOM 0 H ARG A 186 -7.651 -4.182 4.502 1.00 0.00 H new ATOM 0 HA ARG A 186 -9.769 -5.621 5.632 1.00 0.00 H new ATOM 0 HB2 ARG A 186 -9.396 -4.737 8.091 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -8.554 -6.197 7.611 1.00 0.00 H new ATOM 0 HG2 ARG A 186 -6.479 -5.174 7.635 1.00 0.00 H new ATOM 0 HG3 ARG A 186 -7.093 -3.672 6.974 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -7.374 -2.755 9.078 1.00 0.00 H new ATOM 0 HD3 ARG A 186 -8.188 -4.186 9.678 1.00 0.00 H new ATOM 0 HE ARG A 186 -5.169 -3.841 9.520 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -6.743 -6.634 9.295 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -6.468 -7.226 10.937 1.00 0.00 H new ATOM 0 HH21 ARG A 186 -5.398 -4.123 12.144 1.00 0.00 H new ATOM 0 HH22 ARG A 186 -5.713 -5.817 12.536 1.00 0.00 H new ATOM 612 N ASN A 210 -13.290 1.411 0.342 1.00 0.00 N ATOM 613 CA ASN A 210 -13.255 1.469 1.833 1.00 0.00 C ATOM 614 C ASN A 210 -12.427 0.314 2.402 1.00 0.00 C ATOM 615 O ASN A 210 -12.943 -0.559 3.073 1.00 0.00 O ATOM 616 CB ASN A 210 -14.715 1.348 2.267 1.00 0.00 C ATOM 617 CG ASN A 210 -15.353 2.738 2.296 1.00 0.00 C ATOM 618 OD1 ASN A 210 -14.743 3.689 2.744 1.00 0.00 O ATOM 619 ND2 ASN A 210 -16.563 2.900 1.835 1.00 0.00 N ATOM 0 HA ASN A 210 -12.794 2.388 2.194 1.00 0.00 H new ATOM 0 HB2 ASN A 210 -15.258 0.701 1.578 1.00 0.00 H new ATOM 0 HB3 ASN A 210 -14.776 0.887 3.253 1.00 0.00 H new ATOM 0 HD21 ASN A 210 -16.995 3.824 1.851 1.00 0.00 H new ATOM 0 HD22 ASN A 210 -17.076 2.103 1.459 1.00 0.00 H new ATOM 626 N TYR A 211 -11.147 0.302 2.143 1.00 0.00 N ATOM 627 CA TYR A 211 -10.291 -0.798 2.675 1.00 0.00 C ATOM 628 C TYR A 211 -8.813 -0.411 2.633 1.00 0.00 C ATOM 629 O TYR A 211 -8.353 0.236 1.712 1.00 0.00 O ATOM 630 CB TYR A 211 -10.528 -1.973 1.736 1.00 0.00 C ATOM 631 CG TYR A 211 -11.398 -3.010 2.407 1.00 0.00 C ATOM 632 CD1 TYR A 211 -10.814 -3.997 3.211 1.00 0.00 C ATOM 633 CD2 TYR A 211 -12.785 -2.994 2.216 1.00 0.00 C ATOM 634 CE1 TYR A 211 -11.618 -4.965 3.825 1.00 0.00 C ATOM 635 CE2 TYR A 211 -13.588 -3.962 2.828 1.00 0.00 C ATOM 636 CZ TYR A 211 -13.004 -4.948 3.633 1.00 0.00 C ATOM 637 OH TYR A 211 -13.795 -5.903 4.239 1.00 0.00 O ATOM 0 H TYR A 211 -10.658 1.004 1.588 1.00 0.00 H new ATOM 0 HA TYR A 211 -10.537 -1.025 3.712 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -11.005 -1.625 0.820 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -9.575 -2.417 1.450 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -9.744 -4.011 3.357 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -13.235 -2.233 1.595 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -11.168 -5.725 4.447 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -14.658 -3.949 2.680 1.00 0.00 H new ATOM 0 HH TYR A 211 -14.734 -5.748 4.004 1.00 0.00 H new ATOM 647 N GLU A 212 -8.060 -0.832 3.610 1.00 0.00 N ATOM 648 CA GLU A 212 -6.603 -0.527 3.616 1.00 0.00 C ATOM 649 C GLU A 212 -5.833 -1.817 3.326 1.00 0.00 C ATOM 650 O GLU A 212 -6.422 -2.865 3.156 1.00 0.00 O ATOM 651 CB GLU A 212 -6.302 -0.013 5.025 1.00 0.00 C ATOM 652 CG GLU A 212 -6.422 -1.163 6.024 1.00 0.00 C ATOM 653 CD GLU A 212 -5.896 -0.710 7.386 1.00 0.00 C ATOM 654 OE1 GLU A 212 -4.816 -0.144 7.425 1.00 0.00 O ATOM 655 OE2 GLU A 212 -6.583 -0.934 8.369 1.00 0.00 O ATOM 0 H GLU A 212 -8.392 -1.376 4.407 1.00 0.00 H new ATOM 0 HA GLU A 212 -6.315 0.208 2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -5.299 0.412 5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -6.996 0.785 5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -7.462 -1.478 6.110 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -5.856 -2.026 5.672 1.00 0.00 H new ATOM 662 N PHE A 213 -4.534 -1.764 3.256 1.00 0.00 N ATOM 663 CA PHE A 213 -3.770 -3.012 2.960 1.00 0.00 C ATOM 664 C PHE A 213 -2.397 -2.989 3.628 1.00 0.00 C ATOM 665 O PHE A 213 -1.662 -2.027 3.515 1.00 0.00 O ATOM 666 CB PHE A 213 -3.575 -3.010 1.444 1.00 0.00 C ATOM 667 CG PHE A 213 -4.899 -3.145 0.736 1.00 0.00 C ATOM 668 CD1 PHE A 213 -5.420 -4.414 0.462 1.00 0.00 C ATOM 669 CD2 PHE A 213 -5.595 -1.999 0.336 1.00 0.00 C ATOM 670 CE1 PHE A 213 -6.638 -4.538 -0.213 1.00 0.00 C ATOM 671 CE2 PHE A 213 -6.815 -2.123 -0.337 1.00 0.00 C ATOM 672 CZ PHE A 213 -7.336 -3.392 -0.612 1.00 0.00 C ATOM 0 H PHE A 213 -3.971 -0.924 3.389 1.00 0.00 H new ATOM 0 HA PHE A 213 -4.301 -3.890 3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 213 -3.085 -2.086 1.137 1.00 0.00 H new ATOM 0 HB3 PHE A 213 -2.918 -3.830 1.156 1.00 0.00 H new ATOM 0 HD1 PHE A 213 -4.882 -5.297 0.772 1.00 0.00 H new ATOM 0 HD2 PHE A 213 -5.191 -1.020 0.547 1.00 0.00 H new ATOM 0 HE1 PHE A 213 -7.040 -5.517 -0.426 1.00 0.00 H new ATOM 0 HE2 PHE A 213 -7.355 -1.239 -0.644 1.00 0.00 H new ATOM 0 HZ PHE A 213 -8.277 -3.488 -1.133 1.00 0.00 H new ATOM 682 N LEU A 214 -2.016 -4.050 4.283 1.00 0.00 N ATOM 683 CA LEU A 214 -0.660 -4.070 4.893 1.00 0.00 C ATOM 684 C LEU A 214 0.347 -4.198 3.764 1.00 0.00 C ATOM 685 O LEU A 214 0.396 -5.197 3.073 1.00 0.00 O ATOM 686 CB LEU A 214 -0.615 -5.303 5.793 1.00 0.00 C ATOM 687 CG LEU A 214 0.636 -5.283 6.688 1.00 0.00 C ATOM 688 CD1 LEU A 214 0.976 -3.859 7.134 1.00 0.00 C ATOM 689 CD2 LEU A 214 0.370 -6.149 7.918 1.00 0.00 C ATOM 0 H LEU A 214 -2.576 -4.892 4.421 1.00 0.00 H new ATOM 0 HA LEU A 214 -0.436 -3.173 5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 214 -1.511 -5.338 6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 214 -0.615 -6.205 5.181 1.00 0.00 H new ATOM 0 HG LEU A 214 1.481 -5.670 6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 214 1.865 -3.878 7.765 1.00 0.00 H new ATOM 0 HD12 LEU A 214 1.166 -3.239 6.258 1.00 0.00 H new ATOM 0 HD13 LEU A 214 0.140 -3.445 7.697 1.00 0.00 H new ATOM 0 HD21 LEU A 214 1.249 -6.145 8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 214 -0.484 -5.751 8.466 1.00 0.00 H new ATOM 0 HD23 LEU A 214 0.155 -7.171 7.604 1.00 0.00 H new ATOM 701 N ILE A 215 1.117 -3.186 3.534 1.00 0.00 N ATOM 702 CA ILE A 215 2.072 -3.248 2.407 1.00 0.00 C ATOM 703 C ILE A 215 3.487 -3.609 2.857 1.00 0.00 C ATOM 704 O ILE A 215 4.183 -2.811 3.453 1.00 0.00 O ATOM 705 CB ILE A 215 2.066 -1.843 1.833 1.00 0.00 C ATOM 706 CG1 ILE A 215 0.627 -1.351 1.660 1.00 0.00 C ATOM 707 CG2 ILE A 215 2.778 -1.858 0.487 1.00 0.00 C ATOM 708 CD1 ILE A 215 -0.178 -2.373 0.865 1.00 0.00 C ATOM 0 H ILE A 215 1.128 -2.321 4.074 1.00 0.00 H new ATOM 0 HA ILE A 215 1.781 -4.018 1.693 1.00 0.00 H new ATOM 0 HB ILE A 215 2.582 -1.167 2.514 1.00 0.00 H new ATOM 0 HG12 ILE A 215 0.168 -1.193 2.636 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.621 -0.390 1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 215 2.780 -0.853 0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 215 3.805 -2.196 0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 215 2.259 -2.535 -0.191 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -1.201 -2.017 0.745 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.276 -2.510 -0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.185 -3.324 1.397 1.00 0.00 H new ATOM 720 N LYS A 216 3.934 -4.790 2.536 1.00 0.00 N ATOM 721 CA LYS A 216 5.326 -5.169 2.898 1.00 0.00 C ATOM 722 C LYS A 216 6.286 -4.421 1.966 1.00 0.00 C ATOM 723 O LYS A 216 6.514 -4.825 0.843 1.00 0.00 O ATOM 724 CB LYS A 216 5.426 -6.682 2.667 1.00 0.00 C ATOM 725 CG LYS A 216 6.894 -7.109 2.748 1.00 0.00 C ATOM 726 CD LYS A 216 6.994 -8.626 2.568 1.00 0.00 C ATOM 727 CE LYS A 216 7.965 -9.202 3.601 1.00 0.00 C ATOM 728 NZ LYS A 216 8.074 -10.648 3.260 1.00 0.00 N ATOM 0 H LYS A 216 3.400 -5.505 2.042 1.00 0.00 H new ATOM 0 HA LYS A 216 5.577 -4.918 3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 216 4.838 -7.215 3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 216 5.013 -6.941 1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 216 7.475 -6.601 1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 216 7.316 -6.817 3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 216 6.011 -9.082 2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 216 7.337 -8.861 1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 216 8.936 -8.709 3.548 1.00 0.00 H new ATOM 0 HE3 LYS A 216 7.591 -9.062 4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 216 8.724 -11.113 3.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 216 7.136 -11.092 3.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 216 8.439 -10.750 2.291 1.00 0.00 H new ATOM 742 N TRP A 217 6.831 -3.322 2.406 1.00 0.00 N ATOM 743 CA TRP A 217 7.757 -2.554 1.524 1.00 0.00 C ATOM 744 C TRP A 217 9.160 -3.161 1.587 1.00 0.00 C ATOM 745 O TRP A 217 9.327 -4.331 1.870 1.00 0.00 O ATOM 746 CB TRP A 217 7.760 -1.131 2.083 1.00 0.00 C ATOM 747 CG TRP A 217 6.364 -0.589 2.096 1.00 0.00 C ATOM 748 CD1 TRP A 217 5.526 -0.643 3.154 1.00 0.00 C ATOM 749 CD2 TRP A 217 5.632 0.084 1.026 1.00 0.00 C ATOM 750 NE1 TRP A 217 4.334 -0.033 2.813 1.00 0.00 N ATOM 751 CE2 TRP A 217 4.344 0.423 1.509 1.00 0.00 C ATOM 752 CE3 TRP A 217 5.954 0.431 -0.299 1.00 0.00 C ATOM 753 CZ2 TRP A 217 3.408 1.081 0.705 1.00 0.00 C ATOM 754 CZ3 TRP A 217 5.014 1.093 -1.110 1.00 0.00 C ATOM 755 CH2 TRP A 217 3.745 1.415 -0.609 1.00 0.00 C ATOM 0 H TRP A 217 6.678 -2.923 3.332 1.00 0.00 H new ATOM 0 HA TRP A 217 7.445 -2.574 0.480 1.00 0.00 H new ATOM 0 HB2 TRP A 217 8.171 -1.128 3.093 1.00 0.00 H new ATOM 0 HB3 TRP A 217 8.402 -0.493 1.476 1.00 0.00 H new ATOM 0 HD1 TRP A 217 5.751 -1.090 4.111 1.00 0.00 H new ATOM 0 HE1 TRP A 217 3.542 0.068 3.448 1.00 0.00 H new ATOM 0 HE3 TRP A 217 6.929 0.188 -0.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 217 2.433 1.329 1.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 217 5.272 1.355 -2.126 1.00 0.00 H new ATOM 0 HH2 TRP A 217 3.028 1.921 -1.239 1.00 0.00 H new ATOM 871 N ASN A 225 7.001 -3.544 7.099 1.00 0.00 N ATOM 872 CA ASN A 225 5.593 -3.558 6.605 1.00 0.00 C ATOM 873 C ASN A 225 4.784 -2.437 7.257 1.00 0.00 C ATOM 874 O ASN A 225 5.034 -2.039 8.377 1.00 0.00 O ATOM 875 CB ASN A 225 5.046 -4.926 7.017 1.00 0.00 C ATOM 876 CG ASN A 225 6.071 -6.010 6.673 1.00 0.00 C ATOM 877 OD1 ASN A 225 7.055 -5.742 6.013 1.00 0.00 O ATOM 878 ND2 ASN A 225 5.880 -7.230 7.093 1.00 0.00 N ATOM 0 HA ASN A 225 5.534 -3.399 5.528 1.00 0.00 H new ATOM 0 HB2 ASN A 225 4.833 -4.938 8.086 1.00 0.00 H new ATOM 0 HB3 ASN A 225 4.105 -5.123 6.503 1.00 0.00 H new ATOM 0 HD21 ASN A 225 6.557 -7.959 6.867 1.00 0.00 H new ATOM 0 HD22 ASN A 225 5.054 -7.455 7.647 1.00 0.00 H new ATOM 885 N THR A 226 3.811 -1.932 6.555 1.00 0.00 N ATOM 886 CA THR A 226 2.965 -0.842 7.108 1.00 0.00 C ATOM 887 C THR A 226 1.571 -0.935 6.494 1.00 0.00 C ATOM 888 O THR A 226 1.372 -1.589 5.489 1.00 0.00 O ATOM 889 CB THR A 226 3.656 0.458 6.690 1.00 0.00 C ATOM 890 OG1 THR A 226 3.651 0.560 5.273 1.00 0.00 O ATOM 891 CG2 THR A 226 5.098 0.457 7.200 1.00 0.00 C ATOM 0 H THR A 226 3.564 -2.231 5.612 1.00 0.00 H new ATOM 0 HA THR A 226 2.854 -0.899 8.191 1.00 0.00 H new ATOM 0 HB THR A 226 3.123 1.308 7.117 1.00 0.00 H new ATOM 0 HG1 THR A 226 4.428 0.087 4.908 1.00 0.00 H new ATOM 0 HG21 THR A 226 5.590 1.383 6.902 1.00 0.00 H new ATOM 0 HG22 THR A 226 5.099 0.379 8.287 1.00 0.00 H new ATOM 0 HG23 THR A 226 5.634 -0.392 6.775 1.00 0.00 H new ATOM 899 N TRP A 227 0.603 -0.302 7.084 1.00 0.00 N ATOM 900 CA TRP A 227 -0.771 -0.379 6.521 1.00 0.00 C ATOM 901 C TRP A 227 -1.090 0.883 5.723 1.00 0.00 C ATOM 902 O TRP A 227 -1.454 1.905 6.269 1.00 0.00 O ATOM 903 CB TRP A 227 -1.679 -0.520 7.738 1.00 0.00 C ATOM 904 CG TRP A 227 -1.644 -1.944 8.187 1.00 0.00 C ATOM 905 CD1 TRP A 227 -0.688 -2.491 8.974 1.00 0.00 C ATOM 906 CD2 TRP A 227 -2.575 -3.015 7.868 1.00 0.00 C ATOM 907 NE1 TRP A 227 -0.978 -3.831 9.159 1.00 0.00 N ATOM 908 CE2 TRP A 227 -2.133 -4.199 8.501 1.00 0.00 C ATOM 909 CE3 TRP A 227 -3.752 -3.072 7.102 1.00 0.00 C ATOM 910 CZ2 TRP A 227 -2.831 -5.399 8.375 1.00 0.00 C ATOM 911 CZ3 TRP A 227 -4.457 -4.278 6.973 1.00 0.00 C ATOM 912 CH2 TRP A 227 -3.995 -5.440 7.609 1.00 0.00 C ATOM 0 H TRP A 227 0.700 0.263 7.927 1.00 0.00 H new ATOM 0 HA TRP A 227 -0.898 -1.211 5.828 1.00 0.00 H new ATOM 0 HB2 TRP A 227 -1.345 0.139 8.539 1.00 0.00 H new ATOM 0 HB3 TRP A 227 -2.698 -0.226 7.487 1.00 0.00 H new ATOM 0 HD1 TRP A 227 0.161 -1.968 9.389 1.00 0.00 H new ATOM 0 HE1 TRP A 227 -0.407 -4.469 9.714 1.00 0.00 H new ATOM 0 HE3 TRP A 227 -4.116 -2.182 6.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 227 -2.472 -6.291 8.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 227 -5.360 -4.312 6.381 1.00 0.00 H new ATOM 0 HH2 TRP A 227 -4.541 -6.366 7.505 1.00 0.00 H new ATOM 923 N GLU A 228 -0.948 0.815 4.427 1.00 0.00 N ATOM 924 CA GLU A 228 -1.234 2.005 3.582 1.00 0.00 C ATOM 925 C GLU A 228 -2.606 1.878 2.924 1.00 0.00 C ATOM 926 O GLU A 228 -3.369 0.977 3.212 1.00 0.00 O ATOM 927 CB GLU A 228 -0.142 2.016 2.513 1.00 0.00 C ATOM 928 CG GLU A 228 1.219 2.234 3.174 1.00 0.00 C ATOM 929 CD GLU A 228 1.835 3.535 2.658 1.00 0.00 C ATOM 930 OE1 GLU A 228 1.603 3.861 1.505 1.00 0.00 O ATOM 931 OE2 GLU A 228 2.527 4.184 3.424 1.00 0.00 O ATOM 0 H GLU A 228 -0.646 -0.016 3.918 1.00 0.00 H new ATOM 0 HA GLU A 228 -1.243 2.922 4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 228 -0.145 1.073 1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 228 -0.336 2.806 1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 228 1.106 2.277 4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 228 1.880 1.395 2.956 1.00 0.00 H new ATOM 938 N THR A 229 -2.912 2.773 2.033 1.00 0.00 N ATOM 939 CA THR A 229 -4.219 2.721 1.331 1.00 0.00 C ATOM 940 C THR A 229 -4.002 3.098 -0.130 1.00 0.00 C ATOM 941 O THR A 229 -3.051 3.774 -0.465 1.00 0.00 O ATOM 942 CB THR A 229 -5.097 3.754 2.038 1.00 0.00 C ATOM 943 OG1 THR A 229 -4.312 4.889 2.375 1.00 0.00 O ATOM 944 CG2 THR A 229 -5.680 3.139 3.310 1.00 0.00 C ATOM 0 H THR A 229 -2.306 3.546 1.758 1.00 0.00 H new ATOM 0 HA THR A 229 -4.681 1.734 1.355 1.00 0.00 H new ATOM 0 HB THR A 229 -5.909 4.058 1.377 1.00 0.00 H new ATOM 0 HG1 THR A 229 -4.874 5.553 2.827 1.00 0.00 H new ATOM 0 HG21 THR A 229 -6.306 3.874 3.816 1.00 0.00 H new ATOM 0 HG22 THR A 229 -6.281 2.267 3.050 1.00 0.00 H new ATOM 0 HG23 THR A 229 -4.869 2.836 3.973 1.00 0.00 H new ATOM 952 N TYR A 230 -4.855 2.661 -1.005 1.00 0.00 N ATOM 953 CA TYR A 230 -4.660 2.996 -2.440 1.00 0.00 C ATOM 954 C TYR A 230 -4.298 4.477 -2.592 1.00 0.00 C ATOM 955 O TYR A 230 -3.560 4.860 -3.479 1.00 0.00 O ATOM 956 CB TYR A 230 -6.005 2.714 -3.113 1.00 0.00 C ATOM 957 CG TYR A 230 -6.136 1.245 -3.435 1.00 0.00 C ATOM 958 CD1 TYR A 230 -5.604 0.282 -2.571 1.00 0.00 C ATOM 959 CD2 TYR A 230 -6.800 0.849 -4.603 1.00 0.00 C ATOM 960 CE1 TYR A 230 -5.737 -1.078 -2.874 1.00 0.00 C ATOM 961 CE2 TYR A 230 -6.934 -0.511 -4.906 1.00 0.00 C ATOM 962 CZ TYR A 230 -6.402 -1.474 -4.042 1.00 0.00 C ATOM 963 OH TYR A 230 -6.536 -2.815 -4.342 1.00 0.00 O ATOM 0 H TYR A 230 -5.674 2.090 -0.794 1.00 0.00 H new ATOM 0 HA TYR A 230 -3.852 2.415 -2.885 1.00 0.00 H new ATOM 0 HB2 TYR A 230 -6.819 3.023 -2.457 1.00 0.00 H new ATOM 0 HB3 TYR A 230 -6.092 3.302 -4.027 1.00 0.00 H new ATOM 0 HD1 TYR A 230 -5.091 0.588 -1.671 1.00 0.00 H new ATOM 0 HD2 TYR A 230 -7.209 1.593 -5.270 1.00 0.00 H new ATOM 0 HE1 TYR A 230 -5.327 -1.822 -2.207 1.00 0.00 H new ATOM 0 HE2 TYR A 230 -7.447 -0.816 -5.806 1.00 0.00 H new ATOM 0 HH TYR A 230 -6.104 -3.003 -5.201 1.00 0.00 H new ATOM 973 N GLU A 231 -4.819 5.312 -1.735 1.00 0.00 N ATOM 974 CA GLU A 231 -4.514 6.771 -1.828 1.00 0.00 C ATOM 975 C GLU A 231 -3.044 7.030 -1.489 1.00 0.00 C ATOM 976 O GLU A 231 -2.540 8.123 -1.660 1.00 0.00 O ATOM 977 CB GLU A 231 -5.423 7.434 -0.792 1.00 0.00 C ATOM 978 CG GLU A 231 -5.792 8.842 -1.263 1.00 0.00 C ATOM 979 CD GLU A 231 -5.504 9.846 -0.144 1.00 0.00 C ATOM 980 OE1 GLU A 231 -4.550 9.633 0.586 1.00 0.00 O ATOM 981 OE2 GLU A 231 -6.242 10.811 -0.036 1.00 0.00 O ATOM 0 H GLU A 231 -5.444 5.048 -0.973 1.00 0.00 H new ATOM 0 HA GLU A 231 -4.683 7.162 -2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -6.325 6.839 -0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -4.918 7.482 0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -5.220 9.100 -2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -6.846 8.880 -1.538 1.00 0.00 H new ATOM 988 N SER A 232 -2.354 6.036 -1.006 1.00 0.00 N ATOM 989 CA SER A 232 -0.915 6.231 -0.655 1.00 0.00 C ATOM 990 C SER A 232 -0.057 5.157 -1.325 1.00 0.00 C ATOM 991 O SER A 232 1.151 5.263 -1.391 1.00 0.00 O ATOM 992 CB SER A 232 -0.857 6.091 0.866 1.00 0.00 C ATOM 993 OG SER A 232 -1.420 7.250 1.466 1.00 0.00 O ATOM 0 H SER A 232 -2.720 5.099 -0.838 1.00 0.00 H new ATOM 0 HA SER A 232 -0.535 7.196 -0.991 1.00 0.00 H new ATOM 0 HB2 SER A 232 -1.403 5.202 1.182 1.00 0.00 H new ATOM 0 HB3 SER A 232 0.175 5.964 1.192 1.00 0.00 H new ATOM 0 HG SER A 232 -1.386 7.163 2.442 1.00 0.00 H new ATOM 999 N ILE A 233 -0.674 4.125 -1.823 1.00 0.00 N ATOM 1000 CA ILE A 233 0.095 3.039 -2.491 1.00 0.00 C ATOM 1001 C ILE A 233 -0.449 2.835 -3.912 1.00 0.00 C ATOM 1002 O ILE A 233 -0.110 1.886 -4.592 1.00 0.00 O ATOM 1003 CB ILE A 233 -0.087 1.780 -1.596 1.00 0.00 C ATOM 1004 CG1 ILE A 233 -0.359 0.538 -2.448 1.00 0.00 C ATOM 1005 CG2 ILE A 233 -1.246 1.961 -0.609 1.00 0.00 C ATOM 1006 CD1 ILE A 233 -0.713 -0.635 -1.534 1.00 0.00 C ATOM 0 H ILE A 233 -1.684 3.985 -1.796 1.00 0.00 H new ATOM 0 HA ILE A 233 1.156 3.268 -2.597 1.00 0.00 H new ATOM 0 HB ILE A 233 0.842 1.648 -1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 233 -1.176 0.732 -3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 233 0.518 0.295 -3.047 1.00 0.00 H new ATOM 0 HG21 ILE A 233 -1.347 1.064 0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 233 -1.045 2.818 0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 233 -2.171 2.130 -1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 233 -0.907 -1.521 -2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 233 0.118 -0.832 -0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 233 -1.603 -0.389 -0.954 1.00 0.00 H new ATOM 1018 N GLY A 234 -1.290 3.726 -4.364 1.00 0.00 N ATOM 1019 CA GLY A 234 -1.855 3.589 -5.734 1.00 0.00 C ATOM 1020 C GLY A 234 -0.983 4.347 -6.736 1.00 0.00 C ATOM 1021 O GLY A 234 -1.477 4.913 -7.690 1.00 0.00 O ATOM 0 H GLY A 234 -1.609 4.542 -3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 234 -1.910 2.536 -6.010 1.00 0.00 H new ATOM 0 HA3 GLY A 234 -2.873 3.978 -5.757 1.00 0.00 H new ATOM 1025 N GLN A 235 0.306 4.360 -6.531 1.00 0.00 N ATOM 1026 CA GLN A 235 1.201 5.084 -7.481 1.00 0.00 C ATOM 1027 C GLN A 235 2.659 4.653 -7.286 1.00 0.00 C ATOM 1028 O GLN A 235 3.568 5.454 -7.366 1.00 0.00 O ATOM 1029 CB GLN A 235 1.028 6.562 -7.136 1.00 0.00 C ATOM 1030 CG GLN A 235 -0.197 7.111 -7.868 1.00 0.00 C ATOM 1031 CD GLN A 235 0.014 8.590 -8.192 1.00 0.00 C ATOM 1032 OE1 GLN A 235 -0.366 9.051 -9.249 1.00 0.00 O ATOM 1033 NE2 GLN A 235 0.608 9.357 -7.322 1.00 0.00 N ATOM 0 H GLN A 235 0.777 3.903 -5.750 1.00 0.00 H new ATOM 0 HA GLN A 235 0.951 4.873 -8.521 1.00 0.00 H new ATOM 0 HB2 GLN A 235 0.908 6.685 -6.060 1.00 0.00 H new ATOM 0 HB3 GLN A 235 1.919 7.121 -7.423 1.00 0.00 H new ATOM 0 HG2 GLN A 235 -0.366 6.548 -8.786 1.00 0.00 H new ATOM 0 HG3 GLN A 235 -1.087 6.988 -7.250 1.00 0.00 H new ATOM 0 HE21 GLN A 235 0.927 8.969 -6.434 1.00 0.00 H new ATOM 0 HE22 GLN A 235 0.754 10.345 -7.529 1.00 0.00 H new ATOM 1042 N VAL A 236 2.886 3.393 -7.038 1.00 0.00 N ATOM 1043 CA VAL A 236 4.287 2.909 -6.845 1.00 0.00 C ATOM 1044 C VAL A 236 4.350 1.402 -7.084 1.00 0.00 C ATOM 1045 O VAL A 236 4.975 0.673 -6.339 1.00 0.00 O ATOM 1046 CB VAL A 236 4.626 3.221 -5.388 1.00 0.00 C ATOM 1047 CG1 VAL A 236 4.752 4.731 -5.201 1.00 0.00 C ATOM 1048 CG2 VAL A 236 3.517 2.687 -4.479 1.00 0.00 C ATOM 0 H VAL A 236 2.165 2.676 -6.960 1.00 0.00 H new ATOM 0 HA VAL A 236 4.984 3.383 -7.536 1.00 0.00 H new ATOM 0 HB VAL A 236 5.571 2.744 -5.129 1.00 0.00 H new ATOM 0 HG11 VAL A 236 4.994 4.950 -4.161 1.00 0.00 H new ATOM 0 HG12 VAL A 236 5.544 5.113 -5.846 1.00 0.00 H new ATOM 0 HG13 VAL A 236 3.809 5.210 -5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 236 3.759 2.910 -3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 236 2.572 3.162 -4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 236 3.429 1.608 -4.608 1.00 0.00 H new ATOM 1058 N ARG A 237 3.685 0.925 -8.105 1.00 0.00 N ATOM 1059 CA ARG A 237 3.682 -0.541 -8.379 1.00 0.00 C ATOM 1060 C ARG A 237 2.845 -1.259 -7.314 1.00 0.00 C ATOM 1061 O ARG A 237 2.700 -2.470 -7.327 1.00 0.00 O ATOM 1062 CB ARG A 237 5.148 -0.973 -8.295 1.00 0.00 C ATOM 1063 CG ARG A 237 5.503 -1.801 -9.531 1.00 0.00 C ATOM 1064 CD ARG A 237 5.484 -0.901 -10.768 1.00 0.00 C ATOM 1065 NE ARG A 237 6.829 -1.066 -11.385 1.00 0.00 N ATOM 1066 CZ ARG A 237 7.702 -0.100 -11.312 1.00 0.00 C ATOM 1067 NH1 ARG A 237 7.741 0.814 -12.242 1.00 0.00 N ATOM 1068 NH2 ARG A 237 8.532 -0.045 -10.308 1.00 0.00 N ATOM 0 H ARG A 237 3.144 1.489 -8.760 1.00 0.00 H new ATOM 0 HA ARG A 237 3.251 -0.783 -9.351 1.00 0.00 H new ATOM 0 HB2 ARG A 237 5.794 -0.097 -8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 237 5.315 -1.558 -7.391 1.00 0.00 H new ATOM 0 HG2 ARG A 237 6.488 -2.251 -9.410 1.00 0.00 H new ATOM 0 HG3 ARG A 237 4.792 -2.618 -9.651 1.00 0.00 H new ATOM 0 HD2 ARG A 237 4.694 -1.196 -11.459 1.00 0.00 H new ATOM 0 HD3 ARG A 237 5.299 0.138 -10.497 1.00 0.00 H new ATOM 0 HE ARG A 237 7.067 -1.934 -11.865 1.00 0.00 H new ATOM 0 HH11 ARG A 237 7.089 0.773 -13.025 1.00 0.00 H new ATOM 0 HH12 ARG A 237 8.423 1.570 -12.186 1.00 0.00 H new ATOM 0 HH21 ARG A 237 8.499 -0.758 -9.579 1.00 0.00 H new ATOM 0 HH22 ARG A 237 9.215 0.711 -10.251 1.00 0.00 H new ATOM 1082 N GLY A 238 2.284 -0.517 -6.396 1.00 0.00 N ATOM 1083 CA GLY A 238 1.456 -1.146 -5.341 1.00 0.00 C ATOM 1084 C GLY A 238 0.206 -1.730 -5.977 1.00 0.00 C ATOM 1085 O GLY A 238 -0.033 -2.916 -5.921 1.00 0.00 O ATOM 0 H GLY A 238 2.367 0.498 -6.336 1.00 0.00 H new ATOM 0 HA2 GLY A 238 2.022 -1.928 -4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.185 -0.409 -4.585 1.00 0.00 H new ATOM 1089 N LEU A 239 -0.591 -0.906 -6.590 1.00 0.00 N ATOM 1090 CA LEU A 239 -1.827 -1.416 -7.235 1.00 0.00 C ATOM 1091 C LEU A 239 -1.528 -2.710 -7.991 1.00 0.00 C ATOM 1092 O LEU A 239 -2.365 -3.576 -8.099 1.00 0.00 O ATOM 1093 CB LEU A 239 -2.261 -0.306 -8.193 1.00 0.00 C ATOM 1094 CG LEU A 239 -3.018 0.763 -7.409 1.00 0.00 C ATOM 1095 CD1 LEU A 239 -3.005 2.080 -8.185 1.00 0.00 C ATOM 1096 CD2 LEU A 239 -4.464 0.310 -7.199 1.00 0.00 C ATOM 0 H LEU A 239 -0.440 0.099 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 239 -2.609 -1.650 -6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 239 -1.390 0.132 -8.681 1.00 0.00 H new ATOM 0 HB3 LEU A 239 -2.895 -0.715 -8.980 1.00 0.00 H new ATOM 0 HG LEU A 239 -2.536 0.910 -6.443 1.00 0.00 H new ATOM 0 HD11 LEU A 239 -3.547 2.840 -7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 239 -1.975 2.404 -8.334 1.00 0.00 H new ATOM 0 HD13 LEU A 239 -3.484 1.936 -9.153 1.00 0.00 H new ATOM 0 HD21 LEU A 239 -5.006 1.072 -6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 239 -4.943 0.161 -8.167 1.00 0.00 H new ATOM 0 HD23 LEU A 239 -4.475 -0.626 -6.641 1.00 0.00 H new ATOM 1108 N LYS A 240 -0.338 -2.859 -8.501 1.00 0.00 N ATOM 1109 CA LYS A 240 -0.005 -4.116 -9.229 1.00 0.00 C ATOM 1110 C LYS A 240 0.001 -5.288 -8.250 1.00 0.00 C ATOM 1111 O LYS A 240 -0.782 -6.209 -8.368 1.00 0.00 O ATOM 1112 CB LYS A 240 1.388 -3.895 -9.806 1.00 0.00 C ATOM 1113 CG LYS A 240 1.927 -5.217 -10.357 1.00 0.00 C ATOM 1114 CD LYS A 240 1.034 -5.693 -11.505 1.00 0.00 C ATOM 1115 CE LYS A 240 1.552 -7.031 -12.037 1.00 0.00 C ATOM 1116 NZ LYS A 240 0.848 -7.226 -13.336 1.00 0.00 N ATOM 0 H LYS A 240 0.414 -2.171 -8.447 1.00 0.00 H new ATOM 0 HA LYS A 240 -0.728 -4.346 -10.011 1.00 0.00 H new ATOM 0 HB2 LYS A 240 1.351 -3.147 -10.598 1.00 0.00 H new ATOM 0 HB3 LYS A 240 2.056 -3.511 -9.035 1.00 0.00 H new ATOM 0 HG2 LYS A 240 2.951 -5.087 -10.708 1.00 0.00 H new ATOM 0 HG3 LYS A 240 1.954 -5.968 -9.568 1.00 0.00 H new ATOM 0 HD2 LYS A 240 0.006 -5.801 -11.159 1.00 0.00 H new ATOM 0 HD3 LYS A 240 1.025 -4.951 -12.304 1.00 0.00 H new ATOM 0 HE2 LYS A 240 2.633 -7.010 -12.173 1.00 0.00 H new ATOM 0 HE3 LYS A 240 1.334 -7.843 -11.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 1.151 -8.124 -13.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 -0.179 -7.248 -13.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 1.080 -6.441 -13.978 1.00 0.00 H new ATOM 1130 N ARG A 241 0.864 -5.257 -7.271 1.00 0.00 N ATOM 1131 CA ARG A 241 0.880 -6.376 -6.284 1.00 0.00 C ATOM 1132 C ARG A 241 -0.378 -6.285 -5.426 1.00 0.00 C ATOM 1133 O ARG A 241 -0.873 -7.269 -4.914 1.00 0.00 O ATOM 1134 CB ARG A 241 2.134 -6.169 -5.436 1.00 0.00 C ATOM 1135 CG ARG A 241 3.329 -5.889 -6.350 1.00 0.00 C ATOM 1136 CD ARG A 241 4.594 -6.489 -5.732 1.00 0.00 C ATOM 1137 NE ARG A 241 5.639 -6.351 -6.784 1.00 0.00 N ATOM 1138 CZ ARG A 241 6.640 -7.189 -6.825 1.00 0.00 C ATOM 1139 NH1 ARG A 241 7.635 -7.058 -5.992 1.00 0.00 N ATOM 1140 NH2 ARG A 241 6.644 -8.158 -7.699 1.00 0.00 N ATOM 0 H ARG A 241 1.549 -4.518 -7.112 1.00 0.00 H new ATOM 0 HA ARG A 241 0.895 -7.358 -6.758 1.00 0.00 H new ATOM 0 HB2 ARG A 241 1.987 -5.337 -4.747 1.00 0.00 H new ATOM 0 HB3 ARG A 241 2.326 -7.054 -4.830 1.00 0.00 H new ATOM 0 HG2 ARG A 241 3.154 -6.318 -7.337 1.00 0.00 H new ATOM 0 HG3 ARG A 241 3.452 -4.815 -6.487 1.00 0.00 H new ATOM 0 HD2 ARG A 241 4.878 -5.960 -4.822 1.00 0.00 H new ATOM 0 HD3 ARG A 241 4.443 -7.534 -5.460 1.00 0.00 H new ATOM 0 HE ARG A 241 5.573 -5.602 -7.473 1.00 0.00 H new ATOM 0 HH11 ARG A 241 7.631 -6.301 -5.308 1.00 0.00 H new ATOM 0 HH12 ARG A 241 8.417 -7.713 -6.024 1.00 0.00 H new ATOM 0 HH21 ARG A 241 5.866 -8.261 -8.350 1.00 0.00 H new ATOM 0 HH22 ARG A 241 7.426 -8.813 -7.731 1.00 0.00 H new ATOM 1154 N LEU A 242 -0.912 -5.102 -5.293 1.00 0.00 N ATOM 1155 CA LEU A 242 -2.156 -4.922 -4.502 1.00 0.00 C ATOM 1156 C LEU A 242 -3.326 -5.471 -5.311 1.00 0.00 C ATOM 1157 O LEU A 242 -4.253 -6.047 -4.779 1.00 0.00 O ATOM 1158 CB LEU A 242 -2.285 -3.408 -4.318 1.00 0.00 C ATOM 1159 CG LEU A 242 -3.059 -3.097 -3.035 1.00 0.00 C ATOM 1160 CD1 LEU A 242 -4.304 -3.976 -2.965 1.00 0.00 C ATOM 1161 CD2 LEU A 242 -2.170 -3.374 -1.820 1.00 0.00 C ATOM 0 H LEU A 242 -0.535 -4.247 -5.703 1.00 0.00 H new ATOM 0 HA LEU A 242 -2.142 -5.439 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -1.295 -2.954 -4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -2.798 -2.972 -5.176 1.00 0.00 H new ATOM 0 HG LEU A 242 -3.354 -2.048 -3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -4.855 -3.754 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -4.939 -3.777 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -4.009 -5.025 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -2.722 -3.152 -0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -1.872 -4.423 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.281 -2.745 -1.868 1.00 0.00 H new ATOM 1173 N ASP A 243 -3.273 -5.313 -6.606 1.00 0.00 N ATOM 1174 CA ASP A 243 -4.370 -5.847 -7.462 1.00 0.00 C ATOM 1175 C ASP A 243 -4.336 -7.370 -7.402 1.00 0.00 C ATOM 1176 O ASP A 243 -5.334 -8.017 -7.153 1.00 0.00 O ATOM 1177 CB ASP A 243 -4.068 -5.363 -8.881 1.00 0.00 C ATOM 1178 CG ASP A 243 -4.685 -3.979 -9.093 1.00 0.00 C ATOM 1179 OD1 ASP A 243 -4.686 -3.202 -8.153 1.00 0.00 O ATOM 1180 OD2 ASP A 243 -5.145 -3.720 -10.193 1.00 0.00 O ATOM 0 H ASP A 243 -2.521 -4.839 -7.106 1.00 0.00 H new ATOM 0 HA ASP A 243 -5.356 -5.513 -7.138 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -2.990 -5.320 -9.040 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -4.470 -6.067 -9.610 1.00 0.00 H new ATOM 1185 N ASN A 244 -3.185 -7.950 -7.611 1.00 0.00 N ATOM 1186 CA ASN A 244 -3.085 -9.433 -7.543 1.00 0.00 C ATOM 1187 C ASN A 244 -3.352 -9.890 -6.107 1.00 0.00 C ATOM 1188 O ASN A 244 -3.702 -11.028 -5.860 1.00 0.00 O ATOM 1189 CB ASN A 244 -1.652 -9.760 -7.963 1.00 0.00 C ATOM 1190 CG ASN A 244 -1.489 -11.276 -8.088 1.00 0.00 C ATOM 1191 OD1 ASN A 244 -1.942 -12.019 -7.241 1.00 0.00 O ATOM 1192 ND2 ASN A 244 -0.857 -11.769 -9.117 1.00 0.00 N ATOM 0 H ASN A 244 -2.315 -7.463 -7.825 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.808 -9.936 -8.185 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -1.422 -9.279 -8.914 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -0.948 -9.367 -7.229 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -0.743 -12.778 -9.210 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -0.476 -11.145 -9.829 1.00 0.00 H new ATOM 1199 N TYR A 245 -3.218 -9.000 -5.158 1.00 0.00 N ATOM 1200 CA TYR A 245 -3.496 -9.376 -3.750 1.00 0.00 C ATOM 1201 C TYR A 245 -5.000 -9.297 -3.523 1.00 0.00 C ATOM 1202 O TYR A 245 -5.599 -10.155 -2.908 1.00 0.00 O ATOM 1203 CB TYR A 245 -2.773 -8.339 -2.893 1.00 0.00 C ATOM 1204 CG TYR A 245 -3.276 -8.444 -1.475 1.00 0.00 C ATOM 1205 CD1 TYR A 245 -2.718 -9.386 -0.603 1.00 0.00 C ATOM 1206 CD2 TYR A 245 -4.311 -7.609 -1.035 1.00 0.00 C ATOM 1207 CE1 TYR A 245 -3.193 -9.495 0.707 1.00 0.00 C ATOM 1208 CE2 TYR A 245 -4.786 -7.717 0.277 1.00 0.00 C ATOM 1209 CZ TYR A 245 -4.227 -8.660 1.148 1.00 0.00 C ATOM 1210 OH TYR A 245 -4.696 -8.771 2.440 1.00 0.00 O ATOM 0 H TYR A 245 -2.929 -8.033 -5.302 1.00 0.00 H new ATOM 0 HA TYR A 245 -3.161 -10.384 -3.505 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -1.697 -8.507 -2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -2.951 -7.337 -3.283 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -1.920 -10.029 -0.943 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -4.742 -6.882 -1.708 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -2.763 -10.223 1.379 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -5.583 -7.073 0.617 1.00 0.00 H new ATOM 0 HH TYR A 245 -5.671 -8.672 2.444 1.00 0.00 H new ATOM 1220 N CYS A 246 -5.613 -8.269 -4.039 1.00 0.00 N ATOM 1221 CA CYS A 246 -7.080 -8.124 -3.881 1.00 0.00 C ATOM 1222 C CYS A 246 -7.778 -9.276 -4.598 1.00 0.00 C ATOM 1223 O CYS A 246 -8.819 -9.739 -4.184 1.00 0.00 O ATOM 1224 CB CYS A 246 -7.420 -6.790 -4.543 1.00 0.00 C ATOM 1225 SG CYS A 246 -7.156 -5.444 -3.362 1.00 0.00 S ATOM 0 H CYS A 246 -5.157 -7.523 -4.564 1.00 0.00 H new ATOM 0 HA CYS A 246 -7.399 -8.145 -2.839 1.00 0.00 H new ATOM 0 HB2 CYS A 246 -6.798 -6.641 -5.425 1.00 0.00 H new ATOM 0 HB3 CYS A 246 -8.456 -6.793 -4.881 1.00 0.00 H new ATOM 0 HG CYS A 246 -7.099 -4.312 -3.999 1.00 0.00 H new ATOM 1231 N LYS A 247 -7.202 -9.753 -5.668 1.00 0.00 N ATOM 1232 CA LYS A 247 -7.828 -10.885 -6.402 1.00 0.00 C ATOM 1233 C LYS A 247 -7.474 -12.197 -5.700 1.00 0.00 C ATOM 1234 O LYS A 247 -8.201 -13.169 -5.764 1.00 0.00 O ATOM 1235 CB LYS A 247 -7.238 -10.823 -7.821 1.00 0.00 C ATOM 1236 CG LYS A 247 -5.852 -11.478 -7.856 1.00 0.00 C ATOM 1237 CD LYS A 247 -5.412 -11.661 -9.310 1.00 0.00 C ATOM 1238 CE LYS A 247 -5.439 -13.148 -9.671 1.00 0.00 C ATOM 1239 NZ LYS A 247 -5.641 -13.184 -11.147 1.00 0.00 N ATOM 0 H LYS A 247 -6.327 -9.408 -6.063 1.00 0.00 H new ATOM 0 HA LYS A 247 -8.916 -10.826 -6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -7.904 -11.329 -8.520 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -7.164 -9.785 -8.145 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -5.131 -10.859 -7.322 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -5.881 -12.443 -7.349 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -6.073 -11.103 -9.974 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -4.408 -11.261 -9.450 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -4.508 -13.640 -9.388 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -6.244 -13.666 -9.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -5.670 -14.172 -11.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -6.538 -12.715 -11.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -4.856 -12.690 -11.617 1.00 0.00 H new ATOM 1253 N GLN A 248 -6.364 -12.223 -5.017 1.00 0.00 N ATOM 1254 CA GLN A 248 -5.958 -13.457 -4.293 1.00 0.00 C ATOM 1255 C GLN A 248 -6.460 -13.392 -2.850 1.00 0.00 C ATOM 1256 O GLN A 248 -6.337 -14.337 -2.096 1.00 0.00 O ATOM 1257 CB GLN A 248 -4.430 -13.453 -4.329 1.00 0.00 C ATOM 1258 CG GLN A 248 -3.914 -14.890 -4.235 1.00 0.00 C ATOM 1259 CD GLN A 248 -2.612 -14.913 -3.430 1.00 0.00 C ATOM 1260 OE1 GLN A 248 -2.612 -15.256 -2.265 1.00 0.00 O ATOM 1261 NE2 GLN A 248 -1.497 -14.559 -4.006 1.00 0.00 N ATOM 0 H GLN A 248 -5.718 -11.438 -4.929 1.00 0.00 H new ATOM 0 HA GLN A 248 -6.370 -14.361 -4.741 1.00 0.00 H new ATOM 0 HB2 GLN A 248 -4.079 -12.989 -5.250 1.00 0.00 H new ATOM 0 HB3 GLN A 248 -4.038 -12.860 -3.503 1.00 0.00 H new ATOM 0 HG2 GLN A 248 -4.660 -15.525 -3.758 1.00 0.00 H new ATOM 0 HG3 GLN A 248 -3.744 -15.293 -5.233 1.00 0.00 H new ATOM 0 HE21 GLN A 248 -1.497 -14.271 -4.985 1.00 0.00 H new ATOM 0 HE22 GLN A 248 -0.624 -14.570 -3.478 1.00 0.00 H new ATOM 1270 N PHE A 249 -7.020 -12.278 -2.456 1.00 0.00 N ATOM 1271 CA PHE A 249 -7.520 -12.157 -1.058 1.00 0.00 C ATOM 1272 C PHE A 249 -8.898 -11.477 -1.012 1.00 0.00 C ATOM 1273 O PHE A 249 -9.605 -11.578 -0.029 1.00 0.00 O ATOM 1274 CB PHE A 249 -6.480 -11.299 -0.339 1.00 0.00 C ATOM 1275 CG PHE A 249 -5.222 -12.105 -0.120 1.00 0.00 C ATOM 1276 CD1 PHE A 249 -4.231 -12.146 -1.109 1.00 0.00 C ATOM 1277 CD2 PHE A 249 -5.045 -12.812 1.076 1.00 0.00 C ATOM 1278 CE1 PHE A 249 -3.065 -12.893 -0.901 1.00 0.00 C ATOM 1279 CE2 PHE A 249 -3.880 -13.557 1.284 1.00 0.00 C ATOM 1280 CZ PHE A 249 -2.889 -13.598 0.296 1.00 0.00 C ATOM 0 H PHE A 249 -7.151 -11.452 -3.040 1.00 0.00 H new ATOM 0 HA PHE A 249 -7.647 -13.135 -0.594 1.00 0.00 H new ATOM 0 HB2 PHE A 249 -6.256 -10.410 -0.929 1.00 0.00 H new ATOM 0 HB3 PHE A 249 -6.875 -10.956 0.617 1.00 0.00 H new ATOM 0 HD1 PHE A 249 -4.366 -11.602 -2.032 1.00 0.00 H new ATOM 0 HD2 PHE A 249 -5.809 -12.782 1.839 1.00 0.00 H new ATOM 0 HE1 PHE A 249 -2.301 -12.925 -1.664 1.00 0.00 H new ATOM 0 HE2 PHE A 249 -3.745 -14.101 2.207 1.00 0.00 H new ATOM 0 HZ PHE A 249 -1.989 -14.173 0.457 1.00 0.00 H new ATOM 1290 N ILE A 250 -9.292 -10.782 -2.050 1.00 0.00 N ATOM 1291 CA ILE A 250 -10.627 -10.111 -2.012 1.00 0.00 C ATOM 1292 C ILE A 250 -11.478 -10.523 -3.222 1.00 0.00 C ATOM 1293 O ILE A 250 -12.685 -10.394 -3.212 1.00 0.00 O ATOM 1294 CB ILE A 250 -10.318 -8.609 -2.038 1.00 0.00 C ATOM 1295 CG1 ILE A 250 -9.949 -8.141 -0.628 1.00 0.00 C ATOM 1296 CG2 ILE A 250 -11.547 -7.829 -2.508 1.00 0.00 C ATOM 1297 CD1 ILE A 250 -8.561 -7.498 -0.647 1.00 0.00 C ATOM 0 H ILE A 250 -8.757 -10.651 -2.909 1.00 0.00 H new ATOM 0 HA ILE A 250 -11.202 -10.390 -1.129 1.00 0.00 H new ATOM 0 HB ILE A 250 -9.489 -8.431 -2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -10.687 -7.425 -0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -9.960 -8.986 0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -11.318 -6.763 -2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -11.823 -8.155 -3.511 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -12.377 -8.012 -1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -8.300 -7.166 0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -7.827 -8.227 -0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -8.566 -6.643 -1.322 1.00 0.00 H new ATOM 1309 N ILE A 251 -10.865 -11.017 -4.263 1.00 0.00 N ATOM 1310 CA ILE A 251 -11.655 -11.429 -5.459 1.00 0.00 C ATOM 1311 C ILE A 251 -11.062 -12.709 -6.061 1.00 0.00 C ATOM 1312 O ILE A 251 -10.501 -13.530 -5.362 1.00 0.00 O ATOM 1313 CB ILE A 251 -11.541 -10.263 -6.449 1.00 0.00 C ATOM 1314 CG1 ILE A 251 -11.503 -8.929 -5.697 1.00 0.00 C ATOM 1315 CG2 ILE A 251 -12.754 -10.271 -7.383 1.00 0.00 C ATOM 1316 CD1 ILE A 251 -11.308 -7.786 -6.696 1.00 0.00 C ATOM 0 H ILE A 251 -9.857 -11.153 -4.338 1.00 0.00 H new ATOM 0 HA ILE A 251 -12.695 -11.641 -5.211 1.00 0.00 H new ATOM 0 HB ILE A 251 -10.622 -10.378 -7.024 1.00 0.00 H new ATOM 0 HG12 ILE A 251 -12.430 -8.786 -5.141 1.00 0.00 H new ATOM 0 HG13 ILE A 251 -10.692 -8.933 -4.969 1.00 0.00 H new ATOM 0 HG21 ILE A 251 -12.676 -9.443 -8.088 1.00 0.00 H new ATOM 0 HG22 ILE A 251 -12.785 -11.213 -7.931 1.00 0.00 H new ATOM 0 HG23 ILE A 251 -13.666 -10.163 -6.796 1.00 0.00 H new ATOM 0 HD11 ILE A 251 -11.281 -6.836 -6.162 1.00 0.00 H new ATOM 0 HD12 ILE A 251 -10.370 -7.928 -7.232 1.00 0.00 H new ATOM 0 HD13 ILE A 251 -12.134 -7.779 -7.407 1.00 0.00 H new