USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=8 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 : amide:sc= -0.149 K(o=-0.52,f=-1.5) USER MOD Set 1.2: A 248 GLN : amide:sc= -0.367 K(o=-0.52,f=-2.1!) USER MOD Set 2.1: A 230 TYR OH : rot 31:sc= -3.23! USER MOD Set 2.2: A 246 CYS SG : rot 28:sc= -4.99! USER MOD Set 3.1: A 229 THR OG1 : rot 180:sc= 0.428 USER MOD Set 3.2: A 232 SER OG : rot 106:sc= 0.449 USER MOD Set 4.1: A 184 ASN : amide:sc= -0.427 K(o=-11,f=-12) USER MOD Set 4.2: A 185 HIS : no HD1:sc= -5.74! C(o=-11!,f=-27!) USER MOD Set 4.3: A 245 TYR OH : rot -146:sc= -4.72! USER MOD Single : A 210 ASN : amide:sc=-0.00377 X(o=-0.0038,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 : amide:sc= -0.716 K(o=-0.72,f=-2!) USER MOD Single : A 226 THR OG1 : rot -82:sc= -0.206! USER MOD Single : A 235 GLN : amide:sc= -0.0216 X(o=-0.022,f=0) USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 247 LYS NZ :NH3+ -151:sc= -0.0126 (180deg=-0.156) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 179 5.942 -1.085 -4.066 1.00 0.00 N ATOM 106 CA ILE A 179 5.348 -2.119 -3.174 1.00 0.00 C ATOM 107 C ILE A 179 6.076 -3.457 -3.348 1.00 0.00 C ATOM 108 O ILE A 179 6.258 -3.936 -4.450 1.00 0.00 O ATOM 109 CB ILE A 179 3.868 -2.207 -3.605 1.00 0.00 C ATOM 110 CG1 ILE A 179 2.987 -2.140 -2.362 1.00 0.00 C ATOM 111 CG2 ILE A 179 3.568 -3.518 -4.347 1.00 0.00 C ATOM 112 CD1 ILE A 179 1.517 -2.251 -2.771 1.00 0.00 C ATOM 0 HA ILE A 179 5.438 -1.868 -2.117 1.00 0.00 H new ATOM 0 HB ILE A 179 3.663 -1.376 -4.280 1.00 0.00 H new ATOM 0 HG12 ILE A 179 3.246 -2.946 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 179 3.158 -1.203 -1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 179 2.517 -3.542 -4.633 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.189 -3.581 -5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 179 3.785 -4.363 -3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 179 0.887 -2.203 -1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.263 -1.429 -3.441 1.00 0.00 H new ATOM 0 HD13 ILE A 179 1.352 -3.200 -3.282 1.00 0.00 H new ATOM 124 N ASP A 180 6.484 -4.068 -2.270 1.00 0.00 N ATOM 125 CA ASP A 180 7.184 -5.374 -2.386 1.00 0.00 C ATOM 126 C ASP A 180 6.176 -6.508 -2.237 1.00 0.00 C ATOM 127 O ASP A 180 6.154 -7.438 -3.017 1.00 0.00 O ATOM 128 CB ASP A 180 8.191 -5.396 -1.238 1.00 0.00 C ATOM 129 CG ASP A 180 9.415 -6.216 -1.650 1.00 0.00 C ATOM 130 OD1 ASP A 180 10.031 -5.865 -2.643 1.00 0.00 O ATOM 131 OD2 ASP A 180 9.715 -7.180 -0.966 1.00 0.00 O ATOM 0 H ASP A 180 6.363 -3.720 -1.319 1.00 0.00 H new ATOM 0 HA ASP A 180 7.676 -5.499 -3.351 1.00 0.00 H new ATOM 0 HB2 ASP A 180 8.490 -4.379 -0.983 1.00 0.00 H new ATOM 0 HB3 ASP A 180 7.734 -5.827 -0.347 1.00 0.00 H new ATOM 136 N ILE A 181 5.341 -6.439 -1.237 1.00 0.00 N ATOM 137 CA ILE A 181 4.342 -7.520 -1.032 1.00 0.00 C ATOM 138 C ILE A 181 3.179 -7.033 -0.163 1.00 0.00 C ATOM 139 O ILE A 181 3.369 -6.344 0.820 1.00 0.00 O ATOM 140 CB ILE A 181 5.122 -8.606 -0.292 1.00 0.00 C ATOM 141 CG1 ILE A 181 6.116 -9.278 -1.239 1.00 0.00 C ATOM 142 CG2 ILE A 181 4.160 -9.664 0.263 1.00 0.00 C ATOM 143 CD1 ILE A 181 6.692 -10.521 -0.561 1.00 0.00 C ATOM 0 H ILE A 181 5.309 -5.681 -0.555 1.00 0.00 H new ATOM 0 HA ILE A 181 3.907 -7.864 -1.971 1.00 0.00 H new ATOM 0 HB ILE A 181 5.663 -8.141 0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 181 5.621 -9.553 -2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 181 6.917 -8.585 -1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 181 4.728 -10.432 0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 181 3.461 -9.193 0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 181 3.607 -10.119 -0.558 1.00 0.00 H new ATOM 0 HD11 ILE A 181 7.402 -11.005 -1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 181 7.201 -10.231 0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 181 5.884 -11.214 -0.326 1.00 0.00 H new ATOM 155 N VAL A 182 1.980 -7.419 -0.495 1.00 0.00 N ATOM 156 CA VAL A 182 0.809 -7.022 0.333 1.00 0.00 C ATOM 157 C VAL A 182 0.638 -8.056 1.448 1.00 0.00 C ATOM 158 O VAL A 182 0.015 -9.084 1.267 1.00 0.00 O ATOM 159 CB VAL A 182 -0.383 -7.035 -0.626 1.00 0.00 C ATOM 160 CG1 VAL A 182 -1.580 -6.347 0.033 1.00 0.00 C ATOM 161 CG2 VAL A 182 -0.004 -6.285 -1.904 1.00 0.00 C ATOM 0 H VAL A 182 1.760 -7.995 -1.308 1.00 0.00 H new ATOM 0 HA VAL A 182 0.916 -6.043 0.801 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.648 -8.064 -0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.428 -6.357 -0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -1.846 -6.877 0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -1.320 -5.316 0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.849 -6.290 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 182 0.258 -5.256 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.850 -6.774 -2.373 1.00 0.00 H new ATOM 171 N ILE A 183 1.218 -7.805 2.589 1.00 0.00 N ATOM 172 CA ILE A 183 1.127 -8.787 3.711 1.00 0.00 C ATOM 173 C ILE A 183 -0.330 -9.143 4.010 1.00 0.00 C ATOM 174 O ILE A 183 -0.653 -10.274 4.311 1.00 0.00 O ATOM 175 CB ILE A 183 1.756 -8.079 4.913 1.00 0.00 C ATOM 176 CG1 ILE A 183 3.198 -7.689 4.590 1.00 0.00 C ATOM 177 CG2 ILE A 183 1.751 -9.016 6.120 1.00 0.00 C ATOM 178 CD1 ILE A 183 3.994 -8.939 4.210 1.00 0.00 C ATOM 0 H ILE A 183 1.753 -6.961 2.795 1.00 0.00 H new ATOM 0 HA ILE A 183 1.633 -9.721 3.469 1.00 0.00 H new ATOM 0 HB ILE A 183 1.178 -7.183 5.139 1.00 0.00 H new ATOM 0 HG12 ILE A 183 3.216 -6.971 3.770 1.00 0.00 H new ATOM 0 HG13 ILE A 183 3.655 -7.202 5.451 1.00 0.00 H new ATOM 0 HG21 ILE A 183 2.199 -8.510 6.975 1.00 0.00 H new ATOM 0 HG22 ILE A 183 0.725 -9.295 6.360 1.00 0.00 H new ATOM 0 HG23 ILE A 183 2.325 -9.913 5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 183 5.022 -8.660 3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 183 3.987 -9.642 5.043 1.00 0.00 H new ATOM 0 HD13 ILE A 183 3.541 -9.407 3.336 1.00 0.00 H new ATOM 190 N ASN A 184 -1.209 -8.185 3.936 1.00 0.00 N ATOM 191 CA ASN A 184 -2.642 -8.465 4.225 1.00 0.00 C ATOM 192 C ASN A 184 -3.468 -7.193 4.025 1.00 0.00 C ATOM 193 O ASN A 184 -2.992 -6.212 3.492 1.00 0.00 O ATOM 194 CB ASN A 184 -2.674 -8.900 5.691 1.00 0.00 C ATOM 195 CG ASN A 184 -3.223 -10.325 5.786 1.00 0.00 C ATOM 196 OD1 ASN A 184 -4.066 -10.718 5.005 1.00 0.00 O ATOM 197 ND2 ASN A 184 -2.777 -11.122 6.719 1.00 0.00 N ATOM 0 H ASN A 184 -0.997 -7.219 3.688 1.00 0.00 H new ATOM 0 HA ASN A 184 -3.059 -9.228 3.568 1.00 0.00 H new ATOM 0 HB2 ASN A 184 -1.672 -8.855 6.117 1.00 0.00 H new ATOM 0 HB3 ASN A 184 -3.297 -8.219 6.270 1.00 0.00 H new ATOM 0 HD21 ASN A 184 -3.137 -12.074 6.791 1.00 0.00 H new ATOM 0 HD22 ASN A 184 -2.069 -10.793 7.375 1.00 0.00 H new ATOM 204 N HIS A 185 -4.700 -7.198 4.451 1.00 0.00 N ATOM 205 CA HIS A 185 -5.541 -5.981 4.283 1.00 0.00 C ATOM 206 C HIS A 185 -6.794 -6.070 5.161 1.00 0.00 C ATOM 207 O HIS A 185 -7.027 -7.058 5.830 1.00 0.00 O ATOM 208 CB HIS A 185 -5.921 -5.961 2.796 1.00 0.00 C ATOM 209 CG HIS A 185 -7.096 -6.876 2.551 1.00 0.00 C ATOM 210 ND1 HIS A 185 -6.943 -8.232 2.316 1.00 0.00 N ATOM 211 CD2 HIS A 185 -8.445 -6.639 2.508 1.00 0.00 C ATOM 212 CE1 HIS A 185 -8.169 -8.756 2.142 1.00 0.00 C ATOM 213 NE2 HIS A 185 -9.123 -7.827 2.249 1.00 0.00 N ATOM 0 H HIS A 185 -5.159 -7.987 4.906 1.00 0.00 H new ATOM 0 HA HIS A 185 -5.015 -5.074 4.581 1.00 0.00 H new ATOM 0 HB2 HIS A 185 -6.171 -4.945 2.490 1.00 0.00 H new ATOM 0 HB3 HIS A 185 -5.071 -6.277 2.191 1.00 0.00 H new ATOM 0 HD2 HIS A 185 -8.912 -5.676 2.653 1.00 0.00 H new ATOM 0 HE1 HIS A 185 -8.359 -9.800 1.940 1.00 0.00 H new ATOM 0 HE2 HIS A 185 -10.130 -7.959 2.160 1.00 0.00 H new ATOM 221 N ARG A 186 -7.604 -5.049 5.150 1.00 0.00 N ATOM 222 CA ARG A 186 -8.849 -5.075 5.969 1.00 0.00 C ATOM 223 C ARG A 186 -9.653 -3.792 5.746 1.00 0.00 C ATOM 224 O ARG A 186 -9.272 -2.933 4.976 1.00 0.00 O ATOM 225 CB ARG A 186 -8.375 -5.178 7.419 1.00 0.00 C ATOM 226 CG ARG A 186 -7.763 -3.848 7.860 1.00 0.00 C ATOM 227 CD ARG A 186 -7.568 -3.860 9.377 1.00 0.00 C ATOM 228 NE ARG A 186 -6.646 -5.001 9.636 1.00 0.00 N ATOM 229 CZ ARG A 186 -6.805 -5.741 10.701 1.00 0.00 C ATOM 230 NH1 ARG A 186 -7.263 -5.211 11.802 1.00 0.00 N ATOM 231 NH2 ARG A 186 -6.506 -7.011 10.665 1.00 0.00 N ATOM 0 H ARG A 186 -7.458 -4.197 4.609 1.00 0.00 H new ATOM 0 HA ARG A 186 -9.502 -5.906 5.702 1.00 0.00 H new ATOM 0 HB2 ARG A 186 -9.212 -5.436 8.067 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -7.640 -5.977 7.515 1.00 0.00 H new ATOM 0 HG2 ARG A 186 -6.807 -3.691 7.360 1.00 0.00 H new ATOM 0 HG3 ARG A 186 -8.413 -3.022 7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -7.142 -2.920 9.728 1.00 0.00 H new ATOM 0 HD3 ARG A 186 -8.517 -3.993 9.896 1.00 0.00 H new ATOM 0 HE ARG A 186 -5.890 -5.205 8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -7.497 -4.219 11.831 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -7.387 -5.789 12.633 1.00 0.00 H new ATOM 0 HH21 ARG A 186 -6.148 -7.426 9.805 1.00 0.00 H new ATOM 0 HH22 ARG A 186 -6.630 -7.588 11.497 1.00 0.00 H new ATOM 612 N ASN A 210 -13.222 1.433 0.554 1.00 0.00 N ATOM 613 CA ASN A 210 -13.190 1.383 2.046 1.00 0.00 C ATOM 614 C ASN A 210 -12.343 0.202 2.526 1.00 0.00 C ATOM 615 O ASN A 210 -12.851 -0.734 3.114 1.00 0.00 O ATOM 616 CB ASN A 210 -14.648 1.207 2.471 1.00 0.00 C ATOM 617 CG ASN A 210 -15.295 2.580 2.662 1.00 0.00 C ATOM 618 OD1 ASN A 210 -16.150 2.975 1.894 1.00 0.00 O ATOM 619 ND2 ASN A 210 -14.921 3.329 3.663 1.00 0.00 N ATOM 0 HA ASN A 210 -12.746 2.281 2.475 1.00 0.00 H new ATOM 0 HB2 ASN A 210 -15.192 0.639 1.716 1.00 0.00 H new ATOM 0 HB3 ASN A 210 -14.701 0.636 3.398 1.00 0.00 H new ATOM 0 HD21 ASN A 210 -15.346 4.246 3.801 1.00 0.00 H new ATOM 0 HD22 ASN A 210 -14.203 2.998 4.308 1.00 0.00 H new ATOM 626 N TYR A 211 -11.060 0.233 2.282 1.00 0.00 N ATOM 627 CA TYR A 211 -10.195 -0.898 2.732 1.00 0.00 C ATOM 628 C TYR A 211 -8.718 -0.499 2.749 1.00 0.00 C ATOM 629 O TYR A 211 -8.233 0.182 1.866 1.00 0.00 O ATOM 630 CB TYR A 211 -10.416 -1.995 1.699 1.00 0.00 C ATOM 631 CG TYR A 211 -11.298 -3.075 2.278 1.00 0.00 C ATOM 632 CD1 TYR A 211 -10.736 -4.099 3.049 1.00 0.00 C ATOM 633 CD2 TYR A 211 -12.675 -3.056 2.036 1.00 0.00 C ATOM 634 CE1 TYR A 211 -11.553 -5.105 3.579 1.00 0.00 C ATOM 635 CE2 TYR A 211 -13.493 -4.060 2.567 1.00 0.00 C ATOM 636 CZ TYR A 211 -12.932 -5.084 3.339 1.00 0.00 C ATOM 637 OH TYR A 211 -13.739 -6.075 3.861 1.00 0.00 O ATOM 0 H TYR A 211 -10.575 0.986 1.794 1.00 0.00 H new ATOM 0 HA TYR A 211 -10.447 -1.210 3.746 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -10.878 -1.577 0.805 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -9.459 -2.419 1.395 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -9.672 -4.113 3.235 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -13.107 -2.267 1.439 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -11.120 -5.896 4.172 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -14.557 -4.045 2.381 1.00 0.00 H new ATOM 0 HH TYR A 211 -14.669 -5.910 3.601 1.00 0.00 H new ATOM 647 N GLU A 212 -7.996 -0.953 3.733 1.00 0.00 N ATOM 648 CA GLU A 212 -6.542 -0.644 3.804 1.00 0.00 C ATOM 649 C GLU A 212 -5.761 -1.901 3.420 1.00 0.00 C ATOM 650 O GLU A 212 -6.327 -2.967 3.274 1.00 0.00 O ATOM 651 CB GLU A 212 -6.279 -0.272 5.264 1.00 0.00 C ATOM 652 CG GLU A 212 -6.529 1.224 5.466 1.00 0.00 C ATOM 653 CD GLU A 212 -7.021 1.473 6.892 1.00 0.00 C ATOM 654 OE1 GLU A 212 -6.606 0.745 7.777 1.00 0.00 O ATOM 655 OE2 GLU A 212 -7.808 2.388 7.074 1.00 0.00 O ATOM 0 H GLU A 212 -8.353 -1.528 4.496 1.00 0.00 H new ATOM 0 HA GLU A 212 -6.241 0.161 3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -6.929 -0.851 5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -5.252 -0.519 5.533 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -5.612 1.784 5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -7.268 1.580 4.748 1.00 0.00 H new ATOM 662 N PHE A 213 -4.476 -1.799 3.248 1.00 0.00 N ATOM 663 CA PHE A 213 -3.695 -3.009 2.868 1.00 0.00 C ATOM 664 C PHE A 213 -2.318 -2.987 3.526 1.00 0.00 C ATOM 665 O PHE A 213 -1.586 -2.025 3.409 1.00 0.00 O ATOM 666 CB PHE A 213 -3.530 -2.916 1.351 1.00 0.00 C ATOM 667 CG PHE A 213 -4.856 -3.129 0.664 1.00 0.00 C ATOM 668 CD1 PHE A 213 -5.253 -4.419 0.297 1.00 0.00 C ATOM 669 CD2 PHE A 213 -5.681 -2.034 0.381 1.00 0.00 C ATOM 670 CE1 PHE A 213 -6.477 -4.616 -0.351 1.00 0.00 C ATOM 671 CE2 PHE A 213 -6.904 -2.229 -0.269 1.00 0.00 C ATOM 672 CZ PHE A 213 -7.302 -3.521 -0.634 1.00 0.00 C ATOM 0 H PHE A 213 -3.935 -0.941 3.352 1.00 0.00 H new ATOM 0 HA PHE A 213 -4.196 -3.924 3.184 1.00 0.00 H new ATOM 0 HB2 PHE A 213 -3.126 -1.940 1.082 1.00 0.00 H new ATOM 0 HB3 PHE A 213 -2.813 -3.663 1.010 1.00 0.00 H new ATOM 0 HD1 PHE A 213 -4.615 -5.263 0.514 1.00 0.00 H new ATOM 0 HD2 PHE A 213 -5.373 -1.038 0.665 1.00 0.00 H new ATOM 0 HE1 PHE A 213 -6.785 -5.612 -0.633 1.00 0.00 H new ATOM 0 HE2 PHE A 213 -7.540 -1.385 -0.489 1.00 0.00 H new ATOM 0 HZ PHE A 213 -8.247 -3.673 -1.135 1.00 0.00 H new ATOM 682 N LEU A 214 -1.937 -4.043 4.187 1.00 0.00 N ATOM 683 CA LEU A 214 -0.583 -4.051 4.800 1.00 0.00 C ATOM 684 C LEU A 214 0.434 -4.139 3.677 1.00 0.00 C ATOM 685 O LEU A 214 0.565 -5.152 3.017 1.00 0.00 O ATOM 686 CB LEU A 214 -0.526 -5.296 5.686 1.00 0.00 C ATOM 687 CG LEU A 214 0.657 -5.220 6.669 1.00 0.00 C ATOM 688 CD1 LEU A 214 0.886 -3.785 7.151 1.00 0.00 C ATOM 689 CD2 LEU A 214 0.354 -6.112 7.871 1.00 0.00 C ATOM 0 H LEU A 214 -2.493 -4.886 4.328 1.00 0.00 H new ATOM 0 HA LEU A 214 -0.373 -3.159 5.390 1.00 0.00 H new ATOM 0 HB2 LEU A 214 -1.459 -5.395 6.241 1.00 0.00 H new ATOM 0 HB3 LEU A 214 -0.430 -6.186 5.064 1.00 0.00 H new ATOM 0 HG LEU A 214 1.559 -5.555 6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 214 1.727 -3.764 7.844 1.00 0.00 H new ATOM 0 HD12 LEU A 214 1.103 -3.144 6.296 1.00 0.00 H new ATOM 0 HD13 LEU A 214 -0.009 -3.424 7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 214 1.184 -6.067 8.576 1.00 0.00 H new ATOM 0 HD22 LEU A 214 -0.556 -5.766 8.361 1.00 0.00 H new ATOM 0 HD23 LEU A 214 0.217 -7.140 7.536 1.00 0.00 H new ATOM 701 N ILE A 215 1.120 -3.075 3.420 1.00 0.00 N ATOM 702 CA ILE A 215 2.088 -3.083 2.302 1.00 0.00 C ATOM 703 C ILE A 215 3.509 -3.392 2.771 1.00 0.00 C ATOM 704 O ILE A 215 4.156 -2.579 3.404 1.00 0.00 O ATOM 705 CB ILE A 215 2.025 -1.670 1.744 1.00 0.00 C ATOM 706 CG1 ILE A 215 0.566 -1.241 1.566 1.00 0.00 C ATOM 707 CG2 ILE A 215 2.740 -1.640 0.401 1.00 0.00 C ATOM 708 CD1 ILE A 215 -0.185 -2.294 0.757 1.00 0.00 C ATOM 0 H ILE A 215 1.054 -2.197 3.935 1.00 0.00 H new ATOM 0 HA ILE A 215 1.842 -3.853 1.571 1.00 0.00 H new ATOM 0 HB ILE A 215 2.509 -0.981 2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 215 0.094 -1.112 2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.520 -0.277 1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 215 2.701 -0.631 -0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 215 3.780 -1.937 0.536 1.00 0.00 H new ATOM 0 HG23 ILE A 215 2.252 -2.330 -0.287 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -1.223 -1.985 0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.282 -2.402 -0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.151 -3.249 1.282 1.00 0.00 H new ATOM 720 N LYS A 216 4.019 -4.545 2.430 1.00 0.00 N ATOM 721 CA LYS A 216 5.421 -4.869 2.818 1.00 0.00 C ATOM 722 C LYS A 216 6.367 -4.091 1.898 1.00 0.00 C ATOM 723 O LYS A 216 6.668 -4.516 0.801 1.00 0.00 O ATOM 724 CB LYS A 216 5.587 -6.378 2.599 1.00 0.00 C ATOM 725 CG LYS A 216 7.053 -6.763 2.810 1.00 0.00 C ATOM 726 CD LYS A 216 7.126 -8.117 3.520 1.00 0.00 C ATOM 727 CE LYS A 216 8.557 -8.367 4.000 1.00 0.00 C ATOM 728 NZ LYS A 216 8.562 -9.780 4.472 1.00 0.00 N ATOM 0 H LYS A 216 3.531 -5.270 1.905 1.00 0.00 H new ATOM 0 HA LYS A 216 5.642 -4.603 3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 216 4.951 -6.929 3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 216 5.270 -6.648 1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 216 7.569 -6.815 1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 216 7.559 -6.001 3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 216 6.440 -8.133 4.367 1.00 0.00 H new ATOM 0 HD3 LYS A 216 6.815 -8.912 2.842 1.00 0.00 H new ATOM 0 HE2 LYS A 216 9.276 -8.217 3.194 1.00 0.00 H new ATOM 0 HE3 LYS A 216 8.830 -7.682 4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 216 9.511 -10.027 4.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 216 7.873 -9.891 5.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 216 8.305 -10.410 3.685 1.00 0.00 H new ATOM 742 N TRP A 217 6.822 -2.945 2.321 1.00 0.00 N ATOM 743 CA TRP A 217 7.734 -2.146 1.452 1.00 0.00 C ATOM 744 C TRP A 217 9.160 -2.696 1.538 1.00 0.00 C ATOM 745 O TRP A 217 9.700 -3.201 0.574 1.00 0.00 O ATOM 746 CB TRP A 217 7.675 -0.722 2.007 1.00 0.00 C ATOM 747 CG TRP A 217 6.258 -0.242 2.024 1.00 0.00 C ATOM 748 CD1 TRP A 217 5.418 -0.344 3.081 1.00 0.00 C ATOM 749 CD2 TRP A 217 5.499 0.410 0.960 1.00 0.00 C ATOM 750 NE1 TRP A 217 4.205 0.223 2.744 1.00 0.00 N ATOM 751 CE2 TRP A 217 4.198 0.691 1.444 1.00 0.00 C ATOM 752 CE3 TRP A 217 5.806 0.784 -0.363 1.00 0.00 C ATOM 753 CZ2 TRP A 217 3.236 1.319 0.647 1.00 0.00 C ATOM 754 CZ3 TRP A 217 4.841 1.414 -1.168 1.00 0.00 C ATOM 755 CH2 TRP A 217 3.560 1.679 -0.664 1.00 0.00 C ATOM 0 H TRP A 217 6.604 -2.528 3.226 1.00 0.00 H new ATOM 0 HA TRP A 217 7.439 -2.184 0.403 1.00 0.00 H new ATOM 0 HB2 TRP A 217 8.089 -0.698 3.015 1.00 0.00 H new ATOM 0 HB3 TRP A 217 8.286 -0.058 1.395 1.00 0.00 H new ATOM 0 HD1 TRP A 217 5.658 -0.795 4.032 1.00 0.00 H new ATOM 0 HE1 TRP A 217 3.409 0.289 3.379 1.00 0.00 H new ATOM 0 HE3 TRP A 217 6.790 0.585 -0.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 217 2.252 1.524 1.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 217 5.088 1.696 -2.181 1.00 0.00 H new ATOM 0 HH2 TRP A 217 2.823 2.162 -1.289 1.00 0.00 H new ATOM 871 N ASN A 225 6.982 -3.029 6.744 1.00 0.00 N ATOM 872 CA ASN A 225 5.541 -3.238 6.422 1.00 0.00 C ATOM 873 C ASN A 225 4.690 -2.147 7.067 1.00 0.00 C ATOM 874 O ASN A 225 5.012 -1.629 8.118 1.00 0.00 O ATOM 875 CB ASN A 225 5.195 -4.605 7.011 1.00 0.00 C ATOM 876 CG ASN A 225 5.594 -4.641 8.489 1.00 0.00 C ATOM 877 OD1 ASN A 225 5.033 -3.929 9.298 1.00 0.00 O ATOM 878 ND2 ASN A 225 6.543 -5.447 8.877 1.00 0.00 N ATOM 0 HA ASN A 225 5.350 -3.196 5.350 1.00 0.00 H new ATOM 0 HB2 ASN A 225 4.127 -4.798 6.907 1.00 0.00 H new ATOM 0 HB3 ASN A 225 5.716 -5.391 6.464 1.00 0.00 H new ATOM 0 HD21 ASN A 225 6.814 -5.480 9.860 1.00 0.00 H new ATOM 0 HD22 ASN A 225 7.014 -6.045 8.198 1.00 0.00 H new ATOM 885 N THR A 226 3.604 -1.802 6.441 1.00 0.00 N ATOM 886 CA THR A 226 2.717 -0.752 7.001 1.00 0.00 C ATOM 887 C THR A 226 1.326 -0.900 6.395 1.00 0.00 C ATOM 888 O THR A 226 1.144 -1.571 5.399 1.00 0.00 O ATOM 889 CB THR A 226 3.349 0.573 6.582 1.00 0.00 C ATOM 890 OG1 THR A 226 3.753 0.492 5.221 1.00 0.00 O ATOM 891 CG2 THR A 226 4.562 0.864 7.467 1.00 0.00 C ATOM 0 H THR A 226 3.291 -2.206 5.558 1.00 0.00 H new ATOM 0 HA THR A 226 2.615 -0.817 8.084 1.00 0.00 H new ATOM 0 HB THR A 226 2.623 1.378 6.696 1.00 0.00 H new ATOM 0 HG1 THR A 226 4.621 0.041 5.164 1.00 0.00 H new ATOM 0 HG21 THR A 226 5.013 1.810 7.167 1.00 0.00 H new ATOM 0 HG22 THR A 226 4.246 0.926 8.508 1.00 0.00 H new ATOM 0 HG23 THR A 226 5.293 0.063 7.357 1.00 0.00 H new ATOM 899 N TRP A 227 0.343 -0.289 6.981 1.00 0.00 N ATOM 900 CA TRP A 227 -1.028 -0.412 6.423 1.00 0.00 C ATOM 901 C TRP A 227 -1.386 0.831 5.613 1.00 0.00 C ATOM 902 O TRP A 227 -1.868 1.814 6.139 1.00 0.00 O ATOM 903 CB TRP A 227 -1.927 -0.558 7.643 1.00 0.00 C ATOM 904 CG TRP A 227 -1.861 -1.973 8.107 1.00 0.00 C ATOM 905 CD1 TRP A 227 -0.913 -2.480 8.930 1.00 0.00 C ATOM 906 CD2 TRP A 227 -2.745 -3.076 7.768 1.00 0.00 C ATOM 907 NE1 TRP A 227 -1.168 -3.824 9.126 1.00 0.00 N ATOM 908 CE2 TRP A 227 -2.288 -4.237 8.431 1.00 0.00 C ATOM 909 CE3 TRP A 227 -3.890 -3.178 6.961 1.00 0.00 C ATOM 910 CZ2 TRP A 227 -2.945 -5.457 8.297 1.00 0.00 C ATOM 911 CZ3 TRP A 227 -4.552 -4.408 6.823 1.00 0.00 C ATOM 912 CH2 TRP A 227 -4.077 -5.545 7.491 1.00 0.00 C ATOM 0 H TRP A 227 0.426 0.288 7.818 1.00 0.00 H new ATOM 0 HA TRP A 227 -1.131 -1.257 5.742 1.00 0.00 H new ATOM 0 HB2 TRP A 227 -1.604 0.117 8.436 1.00 0.00 H new ATOM 0 HB3 TRP A 227 -2.953 -0.288 7.393 1.00 0.00 H new ATOM 0 HD1 TRP A 227 -0.093 -1.926 9.362 1.00 0.00 H new ATOM 0 HE1 TRP A 227 -0.599 -4.436 9.712 1.00 0.00 H new ATOM 0 HE3 TRP A 227 -4.263 -2.306 6.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 227 -2.579 -6.331 8.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 227 -5.431 -4.479 6.200 1.00 0.00 H new ATOM 0 HH2 TRP A 227 -4.589 -6.489 7.381 1.00 0.00 H new ATOM 923 N GLU A 228 -1.147 0.793 4.332 1.00 0.00 N ATOM 924 CA GLU A 228 -1.465 1.969 3.481 1.00 0.00 C ATOM 925 C GLU A 228 -2.811 1.771 2.783 1.00 0.00 C ATOM 926 O GLU A 228 -3.524 0.822 3.038 1.00 0.00 O ATOM 927 CB GLU A 228 -0.333 2.033 2.456 1.00 0.00 C ATOM 928 CG GLU A 228 1.011 1.872 3.170 1.00 0.00 C ATOM 929 CD GLU A 228 1.844 3.142 2.984 1.00 0.00 C ATOM 930 OE1 GLU A 228 1.601 3.852 2.023 1.00 0.00 O ATOM 931 OE2 GLU A 228 2.711 3.382 3.808 1.00 0.00 O ATOM 0 H GLU A 228 -0.744 -0.004 3.838 1.00 0.00 H new ATOM 0 HA GLU A 228 -1.543 2.889 4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 228 -0.458 1.247 1.711 1.00 0.00 H new ATOM 0 HB3 GLU A 228 -0.363 2.984 1.924 1.00 0.00 H new ATOM 0 HG2 GLU A 228 0.850 1.682 4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 228 1.547 1.011 2.770 1.00 0.00 H new ATOM 938 N THR A 229 -3.156 2.661 1.897 1.00 0.00 N ATOM 939 CA THR A 229 -4.443 2.536 1.168 1.00 0.00 C ATOM 940 C THR A 229 -4.227 2.950 -0.284 1.00 0.00 C ATOM 941 O THR A 229 -3.302 3.673 -0.594 1.00 0.00 O ATOM 942 CB THR A 229 -5.400 3.496 1.872 1.00 0.00 C ATOM 943 OG1 THR A 229 -4.663 4.583 2.413 1.00 0.00 O ATOM 944 CG2 THR A 229 -6.123 2.755 2.996 1.00 0.00 C ATOM 0 H THR A 229 -2.596 3.476 1.646 1.00 0.00 H new ATOM 0 HA THR A 229 -4.838 1.520 1.168 1.00 0.00 H new ATOM 0 HB THR A 229 -6.132 3.875 1.159 1.00 0.00 H new ATOM 0 HG1 THR A 229 -5.275 5.201 2.864 1.00 0.00 H new ATOM 0 HG21 THR A 229 -6.807 3.437 3.501 1.00 0.00 H new ATOM 0 HG22 THR A 229 -6.686 1.920 2.578 1.00 0.00 H new ATOM 0 HG23 THR A 229 -5.393 2.378 3.712 1.00 0.00 H new ATOM 952 N TYR A 230 -5.052 2.501 -1.176 1.00 0.00 N ATOM 953 CA TYR A 230 -4.858 2.877 -2.600 1.00 0.00 C ATOM 954 C TYR A 230 -4.568 4.376 -2.717 1.00 0.00 C ATOM 955 O TYR A 230 -3.802 4.808 -3.556 1.00 0.00 O ATOM 956 CB TYR A 230 -6.183 2.540 -3.290 1.00 0.00 C ATOM 957 CG TYR A 230 -6.187 1.097 -3.740 1.00 0.00 C ATOM 958 CD1 TYR A 230 -6.095 0.063 -2.800 1.00 0.00 C ATOM 959 CD2 TYR A 230 -6.295 0.795 -5.104 1.00 0.00 C ATOM 960 CE1 TYR A 230 -6.111 -1.270 -3.223 1.00 0.00 C ATOM 961 CE2 TYR A 230 -6.310 -0.539 -5.526 1.00 0.00 C ATOM 962 CZ TYR A 230 -6.218 -1.571 -4.586 1.00 0.00 C ATOM 963 OH TYR A 230 -6.234 -2.886 -5.005 1.00 0.00 O ATOM 0 H TYR A 230 -5.849 1.893 -0.986 1.00 0.00 H new ATOM 0 HA TYR A 230 -4.017 2.350 -3.050 1.00 0.00 H new ATOM 0 HB2 TYR A 230 -7.013 2.717 -2.606 1.00 0.00 H new ATOM 0 HB3 TYR A 230 -6.332 3.196 -4.148 1.00 0.00 H new ATOM 0 HD1 TYR A 230 -6.012 0.295 -1.748 1.00 0.00 H new ATOM 0 HD2 TYR A 230 -6.367 1.592 -5.830 1.00 0.00 H new ATOM 0 HE1 TYR A 230 -6.041 -2.067 -2.498 1.00 0.00 H new ATOM 0 HE2 TYR A 230 -6.393 -0.772 -6.577 1.00 0.00 H new ATOM 0 HH TYR A 230 -6.646 -3.445 -4.313 1.00 0.00 H new ATOM 973 N GLU A 231 -5.177 5.169 -1.880 1.00 0.00 N ATOM 974 CA GLU A 231 -4.943 6.642 -1.937 1.00 0.00 C ATOM 975 C GLU A 231 -3.500 6.965 -1.542 1.00 0.00 C ATOM 976 O GLU A 231 -3.052 8.088 -1.650 1.00 0.00 O ATOM 977 CB GLU A 231 -5.922 7.235 -0.923 1.00 0.00 C ATOM 978 CG GLU A 231 -5.956 8.758 -1.074 1.00 0.00 C ATOM 979 CD GLU A 231 -6.512 9.386 0.206 1.00 0.00 C ATOM 980 OE1 GLU A 231 -7.723 9.441 0.338 1.00 0.00 O ATOM 981 OE2 GLU A 231 -5.716 9.801 1.032 1.00 0.00 O ATOM 0 H GLU A 231 -5.828 4.862 -1.157 1.00 0.00 H new ATOM 0 HA GLU A 231 -5.095 7.047 -2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -6.918 6.821 -1.079 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.620 6.966 0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -4.953 9.137 -1.272 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -6.576 9.036 -1.927 1.00 0.00 H new ATOM 988 N SER A 232 -2.770 5.987 -1.080 1.00 0.00 N ATOM 989 CA SER A 232 -1.357 6.241 -0.673 1.00 0.00 C ATOM 990 C SER A 232 -0.417 5.225 -1.331 1.00 0.00 C ATOM 991 O SER A 232 0.785 5.402 -1.348 1.00 0.00 O ATOM 992 CB SER A 232 -1.347 6.072 0.845 1.00 0.00 C ATOM 993 OG SER A 232 -2.621 6.432 1.365 1.00 0.00 O ATOM 0 H SER A 232 -3.089 5.025 -0.967 1.00 0.00 H new ATOM 0 HA SER A 232 -1.014 7.230 -0.979 1.00 0.00 H new ATOM 0 HB2 SER A 232 -1.113 5.040 1.106 1.00 0.00 H new ATOM 0 HB3 SER A 232 -0.571 6.697 1.287 1.00 0.00 H new ATOM 0 HG SER A 232 -3.108 5.623 1.628 1.00 0.00 H new ATOM 999 N ILE A 233 -0.952 4.165 -1.869 1.00 0.00 N ATOM 1000 CA ILE A 233 -0.086 3.140 -2.523 1.00 0.00 C ATOM 1001 C ILE A 233 -0.526 2.945 -3.981 1.00 0.00 C ATOM 1002 O ILE A 233 -0.054 2.062 -4.669 1.00 0.00 O ATOM 1003 CB ILE A 233 -0.246 1.839 -1.683 1.00 0.00 C ATOM 1004 CG1 ILE A 233 -0.474 0.624 -2.591 1.00 0.00 C ATOM 1005 CG2 ILE A 233 -1.422 1.943 -0.706 1.00 0.00 C ATOM 1006 CD1 ILE A 233 -0.788 -0.600 -1.728 1.00 0.00 C ATOM 0 H ILE A 233 -1.952 3.962 -1.885 1.00 0.00 H new ATOM 0 HA ILE A 233 0.962 3.438 -2.553 1.00 0.00 H new ATOM 0 HB ILE A 233 0.679 1.712 -1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 233 -1.297 0.819 -3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 233 0.412 0.438 -3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 233 -1.504 1.018 -0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 233 -1.255 2.776 -0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 233 -2.344 2.109 -1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 233 -0.951 -1.466 -2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 233 0.049 -0.797 -1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 233 -1.686 -0.410 -1.140 1.00 0.00 H new ATOM 1018 N GLY A 234 -1.421 3.766 -4.455 1.00 0.00 N ATOM 1019 CA GLY A 234 -1.883 3.625 -5.864 1.00 0.00 C ATOM 1020 C GLY A 234 -1.037 4.516 -6.777 1.00 0.00 C ATOM 1021 O GLY A 234 -1.549 5.380 -7.460 1.00 0.00 O ATOM 0 H GLY A 234 -1.852 4.527 -3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 234 -1.804 2.585 -6.180 1.00 0.00 H new ATOM 0 HA3 GLY A 234 -2.934 3.903 -5.942 1.00 0.00 H new ATOM 1025 N GLN A 235 0.253 4.312 -6.798 1.00 0.00 N ATOM 1026 CA GLN A 235 1.123 5.152 -7.672 1.00 0.00 C ATOM 1027 C GLN A 235 2.594 4.749 -7.519 1.00 0.00 C ATOM 1028 O GLN A 235 3.483 5.573 -7.591 1.00 0.00 O ATOM 1029 CB GLN A 235 0.911 6.584 -7.181 1.00 0.00 C ATOM 1030 CG GLN A 235 1.124 6.638 -5.667 1.00 0.00 C ATOM 1031 CD GLN A 235 0.685 8.004 -5.138 1.00 0.00 C ATOM 1032 OE1 GLN A 235 1.489 8.756 -4.623 1.00 0.00 O ATOM 1033 NE2 GLN A 235 -0.564 8.360 -5.245 1.00 0.00 N ATOM 0 H GLN A 235 0.741 3.603 -6.250 1.00 0.00 H new ATOM 0 HA GLN A 235 0.874 5.036 -8.727 1.00 0.00 H new ATOM 0 HB2 GLN A 235 1.606 7.259 -7.681 1.00 0.00 H new ATOM 0 HB3 GLN A 235 -0.095 6.921 -7.430 1.00 0.00 H new ATOM 0 HG2 GLN A 235 0.553 5.847 -5.180 1.00 0.00 H new ATOM 0 HG3 GLN A 235 2.174 6.465 -5.430 1.00 0.00 H new ATOM 0 HE21 GLN A 235 -1.239 7.729 -5.677 1.00 0.00 H new ATOM 0 HE22 GLN A 235 -0.867 9.270 -4.897 1.00 0.00 H new ATOM 1042 N VAL A 236 2.856 3.488 -7.309 1.00 0.00 N ATOM 1043 CA VAL A 236 4.270 3.031 -7.152 1.00 0.00 C ATOM 1044 C VAL A 236 4.359 1.529 -7.421 1.00 0.00 C ATOM 1045 O VAL A 236 5.031 0.802 -6.717 1.00 0.00 O ATOM 1046 CB VAL A 236 4.620 3.326 -5.694 1.00 0.00 C ATOM 1047 CG1 VAL A 236 4.765 4.834 -5.491 1.00 0.00 C ATOM 1048 CG2 VAL A 236 3.506 2.791 -4.791 1.00 0.00 C ATOM 0 H VAL A 236 2.153 2.752 -7.239 1.00 0.00 H new ATOM 0 HA VAL A 236 4.948 3.529 -7.845 1.00 0.00 H new ATOM 0 HB VAL A 236 5.563 2.841 -5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 236 5.015 5.039 -4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 236 5.558 5.213 -6.136 1.00 0.00 H new ATOM 0 HG13 VAL A 236 3.826 5.327 -5.743 1.00 0.00 H new ATOM 0 HG21 VAL A 236 3.751 2.999 -3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 236 2.565 3.278 -5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 236 3.408 1.715 -4.933 1.00 0.00 H new ATOM 1058 N ARG A 237 3.664 1.054 -8.422 1.00 0.00 N ATOM 1059 CA ARG A 237 3.682 -0.408 -8.726 1.00 0.00 C ATOM 1060 C ARG A 237 2.883 -1.163 -7.658 1.00 0.00 C ATOM 1061 O ARG A 237 2.751 -2.374 -7.701 1.00 0.00 O ATOM 1062 CB ARG A 237 5.156 -0.819 -8.694 1.00 0.00 C ATOM 1063 CG ARG A 237 5.354 -2.069 -9.554 1.00 0.00 C ATOM 1064 CD ARG A 237 6.407 -1.789 -10.628 1.00 0.00 C ATOM 1065 NE ARG A 237 5.831 -2.343 -11.884 1.00 0.00 N ATOM 1066 CZ ARG A 237 6.005 -1.714 -13.014 1.00 0.00 C ATOM 1067 NH1 ARG A 237 5.948 -0.410 -13.049 1.00 0.00 N ATOM 1068 NH2 ARG A 237 6.234 -2.388 -14.108 1.00 0.00 N ATOM 0 H ARG A 237 3.083 1.617 -9.043 1.00 0.00 H new ATOM 0 HA ARG A 237 3.232 -0.636 -9.692 1.00 0.00 H new ATOM 0 HB2 ARG A 237 5.780 -0.006 -9.066 1.00 0.00 H new ATOM 0 HB3 ARG A 237 5.468 -1.017 -7.668 1.00 0.00 H new ATOM 0 HG2 ARG A 237 5.669 -2.906 -8.931 1.00 0.00 H new ATOM 0 HG3 ARG A 237 4.411 -2.356 -10.020 1.00 0.00 H new ATOM 0 HD2 ARG A 237 6.602 -0.721 -10.721 1.00 0.00 H new ATOM 0 HD3 ARG A 237 7.356 -2.266 -10.385 1.00 0.00 H new ATOM 0 HE ARG A 237 5.301 -3.214 -11.861 1.00 0.00 H new ATOM 0 HH11 ARG A 237 5.768 0.116 -12.194 1.00 0.00 H new ATOM 0 HH12 ARG A 237 6.084 0.083 -13.932 1.00 0.00 H new ATOM 0 HH21 ARG A 237 6.277 -3.407 -14.080 1.00 0.00 H new ATOM 0 HH22 ARG A 237 6.370 -1.896 -14.991 1.00 0.00 H new ATOM 1082 N GLY A 238 2.338 -0.454 -6.704 1.00 0.00 N ATOM 1083 CA GLY A 238 1.542 -1.119 -5.642 1.00 0.00 C ATOM 1084 C GLY A 238 0.264 -1.673 -6.258 1.00 0.00 C ATOM 1085 O GLY A 238 0.004 -2.851 -6.202 1.00 0.00 O ATOM 0 H GLY A 238 2.413 0.560 -6.618 1.00 0.00 H new ATOM 0 HA2 GLY A 238 2.120 -1.923 -5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.302 -0.409 -4.850 1.00 0.00 H new ATOM 1089 N LEU A 239 -0.532 -0.830 -6.849 1.00 0.00 N ATOM 1090 CA LEU A 239 -1.795 -1.314 -7.474 1.00 0.00 C ATOM 1091 C LEU A 239 -1.551 -2.621 -8.225 1.00 0.00 C ATOM 1092 O LEU A 239 -2.383 -3.500 -8.236 1.00 0.00 O ATOM 1093 CB LEU A 239 -2.206 -0.204 -8.442 1.00 0.00 C ATOM 1094 CG LEU A 239 -2.880 0.926 -7.667 1.00 0.00 C ATOM 1095 CD1 LEU A 239 -2.597 2.260 -8.359 1.00 0.00 C ATOM 1096 CD2 LEU A 239 -4.389 0.682 -7.627 1.00 0.00 C ATOM 0 H LEU A 239 -0.364 0.173 -6.927 1.00 0.00 H new ATOM 0 HA LEU A 239 -2.569 -1.518 -6.735 1.00 0.00 H new ATOM 0 HB2 LEU A 239 -1.331 0.175 -8.970 1.00 0.00 H new ATOM 0 HB3 LEU A 239 -2.887 -0.599 -9.196 1.00 0.00 H new ATOM 0 HG LEU A 239 -2.488 0.956 -6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 239 -3.078 3.066 -7.806 1.00 0.00 H new ATOM 0 HD12 LEU A 239 -1.521 2.433 -8.390 1.00 0.00 H new ATOM 0 HD13 LEU A 239 -2.990 2.233 -9.376 1.00 0.00 H new ATOM 0 HD21 LEU A 239 -4.873 1.487 -7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 239 -4.780 0.654 -8.644 1.00 0.00 H new ATOM 0 HD23 LEU A 239 -4.591 -0.269 -7.134 1.00 0.00 H new ATOM 1108 N LYS A 240 -0.415 -2.764 -8.848 1.00 0.00 N ATOM 1109 CA LYS A 240 -0.136 -4.028 -9.585 1.00 0.00 C ATOM 1110 C LYS A 240 -0.043 -5.190 -8.596 1.00 0.00 C ATOM 1111 O LYS A 240 -0.802 -6.137 -8.661 1.00 0.00 O ATOM 1112 CB LYS A 240 1.204 -3.800 -10.277 1.00 0.00 C ATOM 1113 CG LYS A 240 1.620 -5.069 -11.018 1.00 0.00 C ATOM 1114 CD LYS A 240 2.518 -5.913 -10.112 1.00 0.00 C ATOM 1115 CE LYS A 240 3.826 -6.228 -10.841 1.00 0.00 C ATOM 1116 NZ LYS A 240 4.704 -6.842 -9.806 1.00 0.00 N ATOM 0 H LYS A 240 0.328 -2.066 -8.879 1.00 0.00 H new ATOM 0 HA LYS A 240 -0.919 -4.276 -10.301 1.00 0.00 H new ATOM 0 HB2 LYS A 240 1.127 -2.967 -10.976 1.00 0.00 H new ATOM 0 HB3 LYS A 240 1.963 -3.530 -9.543 1.00 0.00 H new ATOM 0 HG2 LYS A 240 0.738 -5.640 -11.308 1.00 0.00 H new ATOM 0 HG3 LYS A 240 2.149 -4.811 -11.935 1.00 0.00 H new ATOM 0 HD2 LYS A 240 2.725 -5.377 -9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 240 2.010 -6.838 -9.838 1.00 0.00 H new ATOM 0 HE2 LYS A 240 3.659 -6.911 -11.674 1.00 0.00 H new ATOM 0 HE3 LYS A 240 4.275 -5.325 -11.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 5.622 -7.086 -10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 4.850 -6.166 -9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 4.254 -7.703 -9.435 1.00 0.00 H new ATOM 1130 N ARG A 241 0.871 -5.119 -7.668 1.00 0.00 N ATOM 1131 CA ARG A 241 0.994 -6.214 -6.664 1.00 0.00 C ATOM 1132 C ARG A 241 -0.232 -6.194 -5.751 1.00 0.00 C ATOM 1133 O ARG A 241 -0.661 -7.206 -5.232 1.00 0.00 O ATOM 1134 CB ARG A 241 2.263 -5.887 -5.881 1.00 0.00 C ATOM 1135 CG ARG A 241 3.466 -6.548 -6.557 1.00 0.00 C ATOM 1136 CD ARG A 241 4.229 -7.391 -5.533 1.00 0.00 C ATOM 1137 NE ARG A 241 3.583 -8.732 -5.582 1.00 0.00 N ATOM 1138 CZ ARG A 241 4.239 -9.787 -5.185 1.00 0.00 C ATOM 1139 NH1 ARG A 241 4.351 -10.042 -3.909 1.00 0.00 N ATOM 1140 NH2 ARG A 241 4.783 -10.587 -6.061 1.00 0.00 N ATOM 0 H ARG A 241 1.536 -4.353 -7.561 1.00 0.00 H new ATOM 0 HA ARG A 241 1.049 -7.205 -7.114 1.00 0.00 H new ATOM 0 HB2 ARG A 241 2.406 -4.807 -5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 241 2.170 -6.240 -4.854 1.00 0.00 H new ATOM 0 HG2 ARG A 241 3.132 -7.175 -7.384 1.00 0.00 H new ATOM 0 HG3 ARG A 241 4.123 -5.787 -6.979 1.00 0.00 H new ATOM 0 HD2 ARG A 241 5.288 -7.453 -5.783 1.00 0.00 H new ATOM 0 HD3 ARG A 241 4.162 -6.957 -4.536 1.00 0.00 H new ATOM 0 HE ARG A 241 2.627 -8.825 -5.926 1.00 0.00 H new ATOM 0 HH11 ARG A 241 3.926 -9.416 -3.225 1.00 0.00 H new ATOM 0 HH12 ARG A 241 4.864 -10.867 -3.597 1.00 0.00 H new ATOM 0 HH21 ARG A 241 4.695 -10.387 -7.057 1.00 0.00 H new ATOM 0 HH22 ARG A 241 5.296 -11.412 -5.749 1.00 0.00 H new ATOM 1154 N LEU A 242 -0.809 -5.038 -5.578 1.00 0.00 N ATOM 1155 CA LEU A 242 -2.023 -4.915 -4.730 1.00 0.00 C ATOM 1156 C LEU A 242 -3.205 -5.486 -5.500 1.00 0.00 C ATOM 1157 O LEU A 242 -4.086 -6.115 -4.945 1.00 0.00 O ATOM 1158 CB LEU A 242 -2.188 -3.406 -4.525 1.00 0.00 C ATOM 1159 CG LEU A 242 -2.983 -3.131 -3.249 1.00 0.00 C ATOM 1160 CD1 LEU A 242 -4.237 -4.000 -3.235 1.00 0.00 C ATOM 1161 CD2 LEU A 242 -2.123 -3.451 -2.024 1.00 0.00 C ATOM 0 H LEU A 242 -0.486 -4.164 -5.994 1.00 0.00 H new ATOM 0 HA LEU A 242 -1.955 -5.446 -3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -1.209 -2.931 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -2.700 -2.969 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 242 -3.268 -2.079 -3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -4.805 -3.805 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -4.852 -3.766 -4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -3.951 -5.051 -3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -2.694 -3.253 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -1.832 -4.501 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.230 -2.827 -2.034 1.00 0.00 H new ATOM 1173 N ASP A 243 -3.211 -5.290 -6.788 1.00 0.00 N ATOM 1174 CA ASP A 243 -4.317 -5.842 -7.617 1.00 0.00 C ATOM 1175 C ASP A 243 -4.226 -7.362 -7.591 1.00 0.00 C ATOM 1176 O ASP A 243 -5.216 -8.057 -7.479 1.00 0.00 O ATOM 1177 CB ASP A 243 -4.079 -5.310 -9.031 1.00 0.00 C ATOM 1178 CG ASP A 243 -4.728 -3.932 -9.175 1.00 0.00 C ATOM 1179 OD1 ASP A 243 -4.818 -3.234 -8.179 1.00 0.00 O ATOM 1180 OD2 ASP A 243 -5.123 -3.596 -10.280 1.00 0.00 O ATOM 0 H ASP A 243 -2.499 -4.772 -7.302 1.00 0.00 H new ATOM 0 HA ASP A 243 -5.304 -5.554 -7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -3.009 -5.242 -9.230 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -4.497 -5.999 -9.765 1.00 0.00 H new ATOM 1185 N ASN A 244 -3.031 -7.882 -7.674 1.00 0.00 N ATOM 1186 CA ASN A 244 -2.863 -9.359 -7.630 1.00 0.00 C ATOM 1187 C ASN A 244 -3.139 -9.852 -6.210 1.00 0.00 C ATOM 1188 O ASN A 244 -3.456 -11.004 -5.993 1.00 0.00 O ATOM 1189 CB ASN A 244 -1.405 -9.611 -8.020 1.00 0.00 C ATOM 1190 CG ASN A 244 -1.147 -11.117 -8.077 1.00 0.00 C ATOM 1191 OD1 ASN A 244 -1.057 -11.769 -7.056 1.00 0.00 O ATOM 1192 ND2 ASN A 244 -1.024 -11.702 -9.237 1.00 0.00 N ATOM 0 H ASN A 244 -2.167 -7.348 -7.770 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.546 -9.883 -8.298 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -1.193 -9.158 -8.988 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -0.737 -9.144 -7.296 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -0.852 -12.706 -9.286 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -1.100 -11.155 -10.095 1.00 0.00 H new ATOM 1199 N TYR A 245 -3.049 -8.983 -5.238 1.00 0.00 N ATOM 1200 CA TYR A 245 -3.337 -9.404 -3.847 1.00 0.00 C ATOM 1201 C TYR A 245 -4.847 -9.348 -3.631 1.00 0.00 C ATOM 1202 O TYR A 245 -5.445 -10.251 -3.085 1.00 0.00 O ATOM 1203 CB TYR A 245 -2.629 -8.387 -2.956 1.00 0.00 C ATOM 1204 CG TYR A 245 -3.152 -8.519 -1.549 1.00 0.00 C ATOM 1205 CD1 TYR A 245 -2.576 -9.447 -0.673 1.00 0.00 C ATOM 1206 CD2 TYR A 245 -4.220 -7.721 -1.123 1.00 0.00 C ATOM 1207 CE1 TYR A 245 -3.069 -9.574 0.630 1.00 0.00 C ATOM 1208 CE2 TYR A 245 -4.711 -7.849 0.179 1.00 0.00 C ATOM 1209 CZ TYR A 245 -4.136 -8.775 1.055 1.00 0.00 C ATOM 1210 OH TYR A 245 -4.623 -8.902 2.340 1.00 0.00 O ATOM 0 H TYR A 245 -2.789 -8.003 -5.352 1.00 0.00 H new ATOM 0 HA TYR A 245 -2.998 -10.416 -3.628 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -1.552 -8.555 -2.975 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -2.800 -7.377 -3.328 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -1.753 -10.064 -1.003 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -4.664 -7.007 -1.800 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -2.626 -10.289 1.308 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -5.534 -7.233 0.509 1.00 0.00 H new ATOM 0 HH TYR A 245 -5.591 -8.747 2.340 1.00 0.00 H new ATOM 1220 N CYS A 246 -5.466 -8.293 -4.083 1.00 0.00 N ATOM 1221 CA CYS A 246 -6.938 -8.174 -3.932 1.00 0.00 C ATOM 1222 C CYS A 246 -7.618 -9.278 -4.739 1.00 0.00 C ATOM 1223 O CYS A 246 -8.674 -9.763 -4.389 1.00 0.00 O ATOM 1224 CB CYS A 246 -7.290 -6.796 -4.494 1.00 0.00 C ATOM 1225 SG CYS A 246 -7.134 -5.552 -3.190 1.00 0.00 S ATOM 0 H CYS A 246 -5.013 -7.508 -4.551 1.00 0.00 H new ATOM 0 HA CYS A 246 -7.266 -8.276 -2.897 1.00 0.00 H new ATOM 0 HB2 CYS A 246 -6.629 -6.551 -5.325 1.00 0.00 H new ATOM 0 HB3 CYS A 246 -8.307 -6.801 -4.886 1.00 0.00 H new ATOM 0 HG CYS A 246 -6.246 -5.941 -2.323 1.00 0.00 H new ATOM 1231 N LYS A 247 -7.013 -9.688 -5.818 1.00 0.00 N ATOM 1232 CA LYS A 247 -7.620 -10.769 -6.637 1.00 0.00 C ATOM 1233 C LYS A 247 -7.290 -12.127 -6.012 1.00 0.00 C ATOM 1234 O LYS A 247 -8.034 -13.078 -6.135 1.00 0.00 O ATOM 1235 CB LYS A 247 -6.992 -10.622 -8.030 1.00 0.00 C ATOM 1236 CG LYS A 247 -5.601 -11.256 -8.045 1.00 0.00 C ATOM 1237 CD LYS A 247 -5.056 -11.264 -9.475 1.00 0.00 C ATOM 1238 CE LYS A 247 -5.566 -12.506 -10.210 1.00 0.00 C ATOM 1239 NZ LYS A 247 -4.663 -13.610 -9.774 1.00 0.00 N ATOM 0 H LYS A 247 -6.127 -9.322 -6.166 1.00 0.00 H new ATOM 0 HA LYS A 247 -8.707 -10.702 -6.692 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -7.627 -11.100 -8.776 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -6.923 -9.568 -8.298 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -4.929 -10.699 -7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -5.650 -12.274 -7.658 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -5.371 -10.363 -10.000 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -3.966 -11.259 -9.460 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -6.603 -12.719 -9.952 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -5.528 -12.369 -11.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -4.596 -14.322 -10.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -3.717 -13.227 -9.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -5.046 -14.052 -8.914 1.00 0.00 H new ATOM 1253 N GLN A 248 -6.184 -12.214 -5.325 1.00 0.00 N ATOM 1254 CA GLN A 248 -5.810 -13.498 -4.672 1.00 0.00 C ATOM 1255 C GLN A 248 -6.331 -13.506 -3.234 1.00 0.00 C ATOM 1256 O GLN A 248 -6.194 -14.479 -2.519 1.00 0.00 O ATOM 1257 CB GLN A 248 -4.281 -13.527 -4.687 1.00 0.00 C ATOM 1258 CG GLN A 248 -3.796 -14.975 -4.763 1.00 0.00 C ATOM 1259 CD GLN A 248 -3.081 -15.204 -6.097 1.00 0.00 C ATOM 1260 OE1 GLN A 248 -2.559 -14.279 -6.685 1.00 0.00 O ATOM 1261 NE2 GLN A 248 -3.036 -16.406 -6.603 1.00 0.00 N ATOM 0 H GLN A 248 -5.523 -11.449 -5.188 1.00 0.00 H new ATOM 0 HA GLN A 248 -6.232 -14.365 -5.180 1.00 0.00 H new ATOM 0 HB2 GLN A 248 -3.905 -12.962 -5.540 1.00 0.00 H new ATOM 0 HB3 GLN A 248 -3.889 -13.048 -3.789 1.00 0.00 H new ATOM 0 HG2 GLN A 248 -3.120 -15.187 -3.935 1.00 0.00 H new ATOM 0 HG3 GLN A 248 -4.640 -15.658 -4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 248 -3.474 -17.184 -6.110 1.00 0.00 H new ATOM 0 HE22 GLN A 248 -2.563 -16.568 -7.492 1.00 0.00 H new ATOM 1270 N PHE A 249 -6.919 -12.420 -2.798 1.00 0.00 N ATOM 1271 CA PHE A 249 -7.435 -12.370 -1.400 1.00 0.00 C ATOM 1272 C PHE A 249 -8.805 -11.684 -1.327 1.00 0.00 C ATOM 1273 O PHE A 249 -9.528 -11.848 -0.363 1.00 0.00 O ATOM 1274 CB PHE A 249 -6.398 -11.560 -0.623 1.00 0.00 C ATOM 1275 CG PHE A 249 -5.152 -12.386 -0.434 1.00 0.00 C ATOM 1276 CD1 PHE A 249 -5.117 -13.373 0.557 1.00 0.00 C ATOM 1277 CD2 PHE A 249 -4.034 -12.169 -1.246 1.00 0.00 C ATOM 1278 CE1 PHE A 249 -3.964 -14.145 0.736 1.00 0.00 C ATOM 1279 CE2 PHE A 249 -2.880 -12.939 -1.067 1.00 0.00 C ATOM 1280 CZ PHE A 249 -2.843 -13.928 -0.075 1.00 0.00 C ATOM 0 H PHE A 249 -7.062 -11.572 -3.347 1.00 0.00 H new ATOM 0 HA PHE A 249 -7.575 -13.372 -0.995 1.00 0.00 H new ATOM 0 HB2 PHE A 249 -6.160 -10.642 -1.161 1.00 0.00 H new ATOM 0 HB3 PHE A 249 -6.802 -11.266 0.346 1.00 0.00 H new ATOM 0 HD1 PHE A 249 -5.980 -13.539 1.184 1.00 0.00 H new ATOM 0 HD2 PHE A 249 -4.062 -11.407 -2.011 1.00 0.00 H new ATOM 0 HE1 PHE A 249 -3.938 -14.908 1.500 1.00 0.00 H new ATOM 0 HE2 PHE A 249 -2.017 -12.771 -1.694 1.00 0.00 H new ATOM 0 HZ PHE A 249 -1.952 -14.522 0.064 1.00 0.00 H new ATOM 1290 N ILE A 250 -9.177 -10.911 -2.314 1.00 0.00 N ATOM 1291 CA ILE A 250 -10.504 -10.232 -2.242 1.00 0.00 C ATOM 1292 C ILE A 250 -11.373 -10.609 -3.448 1.00 0.00 C ATOM 1293 O ILE A 250 -12.581 -10.505 -3.405 1.00 0.00 O ATOM 1294 CB ILE A 250 -10.183 -8.730 -2.231 1.00 0.00 C ATOM 1295 CG1 ILE A 250 -9.868 -8.292 -0.801 1.00 0.00 C ATOM 1296 CG2 ILE A 250 -11.380 -7.929 -2.743 1.00 0.00 C ATOM 1297 CD1 ILE A 250 -8.446 -7.730 -0.740 1.00 0.00 C ATOM 0 H ILE A 250 -8.629 -10.723 -3.154 1.00 0.00 H new ATOM 0 HA ILE A 250 -11.071 -10.528 -1.359 1.00 0.00 H new ATOM 0 HB ILE A 250 -9.325 -8.547 -2.879 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -10.583 -7.537 -0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -9.965 -9.138 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -11.139 -6.866 -2.730 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -11.614 -8.236 -3.763 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -12.242 -8.113 -2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -8.222 -7.418 0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -7.737 -8.499 -1.048 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -8.365 -6.873 -1.408 1.00 0.00 H new ATOM 1309 N ILE A 251 -10.778 -11.045 -4.520 1.00 0.00 N ATOM 1310 CA ILE A 251 -11.597 -11.418 -5.708 1.00 0.00 C ATOM 1311 C ILE A 251 -11.057 -12.707 -6.334 1.00 0.00 C ATOM 1312 O ILE A 251 -10.299 -13.433 -5.723 1.00 0.00 O ATOM 1313 CB ILE A 251 -11.464 -10.241 -6.682 1.00 0.00 C ATOM 1314 CG1 ILE A 251 -11.373 -8.920 -5.909 1.00 0.00 C ATOM 1315 CG2 ILE A 251 -12.693 -10.198 -7.591 1.00 0.00 C ATOM 1316 CD1 ILE A 251 -11.142 -7.768 -6.888 1.00 0.00 C ATOM 0 H ILE A 251 -9.770 -11.159 -4.627 1.00 0.00 H new ATOM 0 HA ILE A 251 -12.639 -11.604 -5.448 1.00 0.00 H new ATOM 0 HB ILE A 251 -10.559 -10.374 -7.275 1.00 0.00 H new ATOM 0 HG12 ILE A 251 -12.291 -8.753 -5.345 1.00 0.00 H new ATOM 0 HG13 ILE A 251 -10.558 -8.965 -5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 251 -12.603 -9.363 -8.285 1.00 0.00 H new ATOM 0 HG22 ILE A 251 -12.764 -11.130 -8.152 1.00 0.00 H new ATOM 0 HG23 ILE A 251 -13.590 -10.071 -6.985 1.00 0.00 H new ATOM 0 HD11 ILE A 251 -11.078 -6.830 -6.337 1.00 0.00 H new ATOM 0 HD12 ILE A 251 -10.212 -7.934 -7.432 1.00 0.00 H new ATOM 0 HD13 ILE A 251 -11.971 -7.718 -7.594 1.00 0.00 H new