USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=10 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 -153:sc= -3.91! USER MOD Set 1.2: A 246 CYS SG : rot 114:sc= -1.26! USER MOD Set 2.1: A 229 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 232 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 184 ASN : amide:sc= -0.0491 K(o=-8.2,f=-12!) USER MOD Set 3.2: A 185 HIS : no HD1:sc= -3.45! C(o=-8.2!,f=-24!) USER MOD Set 3.3: A 245 TYR OH : rot -158:sc= -4.73! 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= -1.08 F(o=-3.8!,f=-1.1) USER MOD Single : A 226 THR OG1 : rot -84:sc= -1.51! USER MOD Single : A 235 GLN : amide:sc= -0.525 K(o=-0.52,f=-4!) USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 ASN :FLIP amide:sc= -0.551 F(o=-1.4,f=-0.55) USER MOD Single : A 247 LYS NZ :NH3+ 144:sc= -0.191 (180deg=-0.523) USER MOD Single : A 248 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 179 6.113 -1.096 -3.917 1.00 0.00 N ATOM 106 CA ILE A 179 5.459 -2.131 -3.063 1.00 0.00 C ATOM 107 C ILE A 179 6.174 -3.477 -3.219 1.00 0.00 C ATOM 108 O ILE A 179 6.402 -3.944 -4.318 1.00 0.00 O ATOM 109 CB ILE A 179 3.999 -2.197 -3.563 1.00 0.00 C ATOM 110 CG1 ILE A 179 3.061 -2.134 -2.358 1.00 0.00 C ATOM 111 CG2 ILE A 179 3.731 -3.500 -4.340 1.00 0.00 C ATOM 112 CD1 ILE A 179 1.615 -2.347 -2.812 1.00 0.00 C ATOM 0 HA ILE A 179 5.502 -1.888 -2.001 1.00 0.00 H new ATOM 0 HB ILE A 179 3.825 -1.356 -4.234 1.00 0.00 H new ATOM 0 HG12 ILE A 179 3.339 -2.896 -1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 179 3.157 -1.168 -1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 179 2.695 -3.515 -4.678 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.395 -3.552 -5.203 1.00 0.00 H new ATOM 0 HG23 ILE A 179 3.913 -4.356 -3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 179 0.952 -2.301 -1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.339 -1.569 -3.524 1.00 0.00 H new ATOM 0 HD13 ILE A 179 1.523 -3.323 -3.288 1.00 0.00 H new ATOM 124 N ASP A 180 6.514 -4.115 -2.132 1.00 0.00 N ATOM 125 CA ASP A 180 7.189 -5.434 -2.244 1.00 0.00 C ATOM 126 C ASP A 180 6.152 -6.544 -2.132 1.00 0.00 C ATOM 127 O ASP A 180 6.111 -7.451 -2.940 1.00 0.00 O ATOM 128 CB ASP A 180 8.175 -5.496 -1.077 1.00 0.00 C ATOM 129 CG ASP A 180 9.385 -6.343 -1.476 1.00 0.00 C ATOM 130 OD1 ASP A 180 9.508 -6.648 -2.652 1.00 0.00 O ATOM 131 OD2 ASP A 180 10.168 -6.673 -0.600 1.00 0.00 O ATOM 0 H ASP A 180 6.355 -3.782 -1.181 1.00 0.00 H new ATOM 0 HA ASP A 180 7.702 -5.558 -3.198 1.00 0.00 H new ATOM 0 HB2 ASP A 180 8.496 -4.491 -0.804 1.00 0.00 H new ATOM 0 HB3 ASP A 180 7.690 -5.925 -0.200 1.00 0.00 H new ATOM 136 N ILE A 181 5.310 -6.482 -1.138 1.00 0.00 N ATOM 137 CA ILE A 181 4.283 -7.546 -0.982 1.00 0.00 C ATOM 138 C ILE A 181 3.110 -7.066 -0.119 1.00 0.00 C ATOM 139 O ILE A 181 3.282 -6.337 0.837 1.00 0.00 O ATOM 140 CB ILE A 181 5.015 -8.670 -0.256 1.00 0.00 C ATOM 141 CG1 ILE A 181 6.006 -9.355 -1.200 1.00 0.00 C ATOM 142 CG2 ILE A 181 3.993 -9.692 0.255 1.00 0.00 C ATOM 143 CD1 ILE A 181 6.602 -10.577 -0.504 1.00 0.00 C ATOM 0 H ILE A 181 5.289 -5.746 -0.432 1.00 0.00 H new ATOM 0 HA ILE A 181 3.866 -7.846 -1.943 1.00 0.00 H new ATOM 0 HB ILE A 181 5.568 -8.252 0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 181 5.503 -9.655 -2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 181 6.797 -8.660 -1.482 1.00 0.00 H new ATOM 0 HG21 ILE A 181 4.512 -10.497 0.775 1.00 0.00 H new ATOM 0 HG22 ILE A 181 3.302 -9.203 0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 181 3.437 -10.103 -0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 181 7.309 -11.068 -1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 181 7.119 -10.263 0.403 1.00 0.00 H new ATOM 0 HD13 ILE A 181 5.804 -11.273 -0.244 1.00 0.00 H new ATOM 155 N VAL A 182 1.924 -7.504 -0.435 1.00 0.00 N ATOM 156 CA VAL A 182 0.737 -7.119 0.379 1.00 0.00 C ATOM 157 C VAL A 182 0.547 -8.165 1.485 1.00 0.00 C ATOM 158 O VAL A 182 -0.112 -9.169 1.303 1.00 0.00 O ATOM 159 CB VAL A 182 -0.434 -7.129 -0.607 1.00 0.00 C ATOM 160 CG1 VAL A 182 -1.689 -6.584 0.078 1.00 0.00 C ATOM 161 CG2 VAL A 182 -0.084 -6.246 -1.808 1.00 0.00 C ATOM 0 H VAL A 182 1.724 -8.116 -1.226 1.00 0.00 H new ATOM 0 HA VAL A 182 0.832 -6.146 0.861 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.622 -8.149 -0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.521 -6.592 -0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -1.935 -7.208 0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -1.507 -5.563 0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.914 -6.248 -2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 182 0.101 -5.227 -1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.810 -6.634 -2.296 1.00 0.00 H new ATOM 171 N ILE A 183 1.152 -7.945 2.623 1.00 0.00 N ATOM 172 CA ILE A 183 1.053 -8.931 3.743 1.00 0.00 C ATOM 173 C ILE A 183 -0.404 -9.250 4.084 1.00 0.00 C ATOM 174 O ILE A 183 -0.735 -10.363 4.444 1.00 0.00 O ATOM 175 CB ILE A 183 1.734 -8.246 4.928 1.00 0.00 C ATOM 176 CG1 ILE A 183 3.194 -7.952 4.578 1.00 0.00 C ATOM 177 CG2 ILE A 183 1.681 -9.164 6.150 1.00 0.00 C ATOM 178 CD1 ILE A 183 3.902 -9.253 4.194 1.00 0.00 C ATOM 0 H ILE A 183 1.715 -7.119 2.827 1.00 0.00 H new ATOM 0 HA ILE A 183 1.519 -9.881 3.480 1.00 0.00 H new ATOM 0 HB ILE A 183 1.217 -7.313 5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 183 3.245 -7.241 3.753 1.00 0.00 H new ATOM 0 HG13 ILE A 183 3.696 -7.490 5.428 1.00 0.00 H new ATOM 0 HG21 ILE A 183 2.167 -8.675 6.994 1.00 0.00 H new ATOM 0 HG22 ILE A 183 0.642 -9.375 6.402 1.00 0.00 H new ATOM 0 HG23 ILE A 183 2.197 -10.098 5.926 1.00 0.00 H new ATOM 0 HD11 ILE A 183 4.942 -9.042 3.945 1.00 0.00 H new ATOM 0 HD12 ILE A 183 3.864 -9.949 5.032 1.00 0.00 H new ATOM 0 HD13 ILE A 183 3.405 -9.697 3.331 1.00 0.00 H new ATOM 190 N ASN A 184 -1.275 -8.290 3.989 1.00 0.00 N ATOM 191 CA ASN A 184 -2.703 -8.548 4.322 1.00 0.00 C ATOM 192 C ASN A 184 -3.529 -7.284 4.089 1.00 0.00 C ATOM 193 O ASN A 184 -3.063 -6.330 3.498 1.00 0.00 O ATOM 194 CB ASN A 184 -2.703 -8.926 5.805 1.00 0.00 C ATOM 195 CG ASN A 184 -3.901 -9.830 6.101 1.00 0.00 C ATOM 196 OD1 ASN A 184 -4.775 -9.991 5.271 1.00 0.00 O ATOM 197 ND2 ASN A 184 -3.979 -10.430 7.257 1.00 0.00 N ATOM 0 H ASN A 184 -1.062 -7.337 3.695 1.00 0.00 H new ATOM 0 HA ASN A 184 -3.139 -9.333 3.704 1.00 0.00 H new ATOM 0 HB2 ASN A 184 -1.775 -9.438 6.061 1.00 0.00 H new ATOM 0 HB3 ASN A 184 -2.751 -8.028 6.420 1.00 0.00 H new ATOM 0 HD21 ASN A 184 -4.774 -11.035 7.465 1.00 0.00 H new ATOM 0 HD22 ASN A 184 -3.245 -10.294 7.953 1.00 0.00 H new ATOM 204 N HIS A 185 -4.750 -7.265 4.544 1.00 0.00 N ATOM 205 CA HIS A 185 -5.589 -6.053 4.338 1.00 0.00 C ATOM 206 C HIS A 185 -6.843 -6.103 5.219 1.00 0.00 C ATOM 207 O HIS A 185 -7.087 -7.067 5.916 1.00 0.00 O ATOM 208 CB HIS A 185 -5.964 -6.086 2.850 1.00 0.00 C ATOM 209 CG HIS A 185 -7.125 -7.023 2.634 1.00 0.00 C ATOM 210 ND1 HIS A 185 -6.960 -8.390 2.479 1.00 0.00 N ATOM 211 CD2 HIS A 185 -8.475 -6.798 2.553 1.00 0.00 C ATOM 212 CE1 HIS A 185 -8.181 -8.930 2.314 1.00 0.00 C ATOM 213 NE2 HIS A 185 -9.140 -8.003 2.351 1.00 0.00 N ATOM 0 H HIS A 185 -5.201 -8.030 5.046 1.00 0.00 H new ATOM 0 HA HIS A 185 -5.063 -5.137 4.608 1.00 0.00 H new ATOM 0 HB2 HIS A 185 -6.226 -5.084 2.510 1.00 0.00 H new ATOM 0 HB3 HIS A 185 -5.109 -6.410 2.258 1.00 0.00 H new ATOM 0 HD2 HIS A 185 -8.950 -5.832 2.634 1.00 0.00 H new ATOM 0 HE1 HIS A 185 -8.363 -9.985 2.169 1.00 0.00 H new ATOM 0 HE2 HIS A 185 -10.145 -8.147 2.252 1.00 0.00 H new ATOM 221 N ARG A 186 -7.639 -5.069 5.180 1.00 0.00 N ATOM 222 CA ARG A 186 -8.887 -5.038 5.999 1.00 0.00 C ATOM 223 C ARG A 186 -9.484 -3.629 5.985 1.00 0.00 C ATOM 224 O ARG A 186 -8.821 -2.669 5.641 1.00 0.00 O ATOM 225 CB ARG A 186 -8.461 -5.422 7.419 1.00 0.00 C ATOM 226 CG ARG A 186 -7.143 -4.730 7.765 1.00 0.00 C ATOM 227 CD ARG A 186 -7.256 -4.077 9.143 1.00 0.00 C ATOM 228 NE ARG A 186 -6.170 -4.698 9.951 1.00 0.00 N ATOM 229 CZ ARG A 186 -6.095 -4.464 11.233 1.00 0.00 C ATOM 230 NH1 ARG A 186 -7.184 -4.400 11.948 1.00 0.00 N ATOM 231 NH2 ARG A 186 -4.931 -4.296 11.799 1.00 0.00 N ATOM 0 H ARG A 186 -7.478 -4.237 4.612 1.00 0.00 H new ATOM 0 HA ARG A 186 -9.646 -5.718 5.612 1.00 0.00 H new ATOM 0 HB2 ARG A 186 -9.233 -5.132 8.132 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -8.346 -6.503 7.495 1.00 0.00 H new ATOM 0 HG2 ARG A 186 -6.328 -5.454 7.759 1.00 0.00 H new ATOM 0 HG3 ARG A 186 -6.907 -3.978 7.013 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -7.132 -2.996 9.079 1.00 0.00 H new ATOM 0 HD3 ARG A 186 -8.234 -4.260 9.588 1.00 0.00 H new ATOM 0 HE ARG A 186 -5.485 -5.306 9.503 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -8.093 -4.533 11.505 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -7.126 -4.217 12.950 1.00 0.00 H new ATOM 0 HH21 ARG A 186 -4.080 -4.348 11.240 1.00 0.00 H new ATOM 0 HH22 ARG A 186 -4.873 -4.113 12.801 1.00 0.00 H new ATOM 612 N ASN A 210 -13.108 1.375 0.174 1.00 0.00 N ATOM 613 CA ASN A 210 -13.048 1.456 1.663 1.00 0.00 C ATOM 614 C ASN A 210 -12.277 0.264 2.238 1.00 0.00 C ATOM 615 O ASN A 210 -12.843 -0.603 2.873 1.00 0.00 O ATOM 616 CB ASN A 210 -14.508 1.411 2.117 1.00 0.00 C ATOM 617 CG ASN A 210 -15.082 2.829 2.143 1.00 0.00 C ATOM 618 OD1 ASN A 210 -15.760 3.238 1.222 1.00 0.00 O ATOM 619 ND2 ASN A 210 -14.838 3.600 3.166 1.00 0.00 N ATOM 0 HA ASN A 210 -12.535 2.356 2.003 1.00 0.00 H new ATOM 0 HB2 ASN A 210 -15.090 0.785 1.441 1.00 0.00 H new ATOM 0 HB3 ASN A 210 -14.578 0.962 3.108 1.00 0.00 H new ATOM 0 HD21 ASN A 210 -15.217 4.547 3.193 1.00 0.00 H new ATOM 0 HD22 ASN A 210 -14.269 3.256 3.939 1.00 0.00 H new ATOM 626 N TYR A 211 -10.991 0.209 2.019 1.00 0.00 N ATOM 627 CA TYR A 211 -10.196 -0.935 2.558 1.00 0.00 C ATOM 628 C TYR A 211 -8.708 -0.587 2.631 1.00 0.00 C ATOM 629 O TYR A 211 -8.176 0.106 1.787 1.00 0.00 O ATOM 630 CB TYR A 211 -10.414 -2.064 1.563 1.00 0.00 C ATOM 631 CG TYR A 211 -11.281 -3.132 2.185 1.00 0.00 C ATOM 632 CD1 TYR A 211 -10.696 -4.151 2.946 1.00 0.00 C ATOM 633 CD2 TYR A 211 -12.668 -3.108 1.998 1.00 0.00 C ATOM 634 CE1 TYR A 211 -11.496 -5.146 3.521 1.00 0.00 C ATOM 635 CE2 TYR A 211 -13.469 -4.102 2.571 1.00 0.00 C ATOM 636 CZ TYR A 211 -12.883 -5.121 3.332 1.00 0.00 C ATOM 637 OH TYR A 211 -13.673 -6.103 3.895 1.00 0.00 O ATOM 0 H TYR A 211 -10.458 0.902 1.493 1.00 0.00 H new ATOM 0 HA TYR A 211 -10.507 -1.197 3.569 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -10.887 -1.679 0.660 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -9.455 -2.489 1.265 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -9.626 -4.170 3.090 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -13.120 -2.322 1.411 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -11.044 -5.931 4.109 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -14.539 -4.083 2.426 1.00 0.00 H new ATOM 0 HH TYR A 211 -14.612 -5.937 3.668 1.00 0.00 H new ATOM 647 N GLU A 212 -8.031 -1.088 3.628 1.00 0.00 N ATOM 648 CA GLU A 212 -6.572 -0.818 3.756 1.00 0.00 C ATOM 649 C GLU A 212 -5.794 -2.087 3.402 1.00 0.00 C ATOM 650 O GLU A 212 -6.355 -3.160 3.319 1.00 0.00 O ATOM 651 CB GLU A 212 -6.361 -0.457 5.227 1.00 0.00 C ATOM 652 CG GLU A 212 -6.029 1.032 5.352 1.00 0.00 C ATOM 653 CD GLU A 212 -5.727 1.365 6.815 1.00 0.00 C ATOM 654 OE1 GLU A 212 -4.691 0.936 7.298 1.00 0.00 O ATOM 655 OE2 GLU A 212 -6.536 2.042 7.426 1.00 0.00 O ATOM 0 H GLU A 212 -8.428 -1.675 4.362 1.00 0.00 H new ATOM 0 HA GLU A 212 -6.230 -0.022 3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -7.259 -0.688 5.800 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -5.552 -1.056 5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -5.171 1.278 4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -6.865 1.633 4.996 1.00 0.00 H new ATOM 662 N PHE A 213 -4.514 -1.980 3.193 1.00 0.00 N ATOM 663 CA PHE A 213 -3.722 -3.193 2.846 1.00 0.00 C ATOM 664 C PHE A 213 -2.351 -3.146 3.515 1.00 0.00 C ATOM 665 O PHE A 213 -1.638 -2.170 3.405 1.00 0.00 O ATOM 666 CB PHE A 213 -3.543 -3.133 1.327 1.00 0.00 C ATOM 667 CG PHE A 213 -4.880 -3.250 0.641 1.00 0.00 C ATOM 668 CD1 PHE A 213 -5.673 -2.112 0.455 1.00 0.00 C ATOM 669 CD2 PHE A 213 -5.322 -4.496 0.184 1.00 0.00 C ATOM 670 CE1 PHE A 213 -6.910 -2.220 -0.187 1.00 0.00 C ATOM 671 CE2 PHE A 213 -6.558 -4.604 -0.458 1.00 0.00 C ATOM 672 CZ PHE A 213 -7.353 -3.468 -0.644 1.00 0.00 C ATOM 0 H PHE A 213 -3.983 -1.111 3.247 1.00 0.00 H new ATOM 0 HA PHE A 213 -4.220 -4.104 3.177 1.00 0.00 H new ATOM 0 HB2 PHE A 213 -3.063 -2.195 1.047 1.00 0.00 H new ATOM 0 HB3 PHE A 213 -2.886 -3.938 0.999 1.00 0.00 H new ATOM 0 HD1 PHE A 213 -5.329 -1.151 0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 213 -4.709 -5.373 0.327 1.00 0.00 H new ATOM 0 HE1 PHE A 213 -7.523 -1.343 -0.330 1.00 0.00 H new ATOM 0 HE2 PHE A 213 -6.900 -5.566 -0.811 1.00 0.00 H new ATOM 0 HZ PHE A 213 -8.309 -3.553 -1.140 1.00 0.00 H new ATOM 682 N LEU A 214 -1.954 -4.194 4.182 1.00 0.00 N ATOM 683 CA LEU A 214 -0.604 -4.174 4.806 1.00 0.00 C ATOM 684 C LEU A 214 0.425 -4.254 3.693 1.00 0.00 C ATOM 685 O LEU A 214 0.595 -5.277 3.058 1.00 0.00 O ATOM 686 CB LEU A 214 -0.530 -5.408 5.702 1.00 0.00 C ATOM 687 CG LEU A 214 0.718 -5.357 6.598 1.00 0.00 C ATOM 688 CD1 LEU A 214 1.010 -3.927 7.061 1.00 0.00 C ATOM 689 CD2 LEU A 214 0.480 -6.243 7.819 1.00 0.00 C ATOM 0 H LEU A 214 -2.495 -5.048 4.320 1.00 0.00 H new ATOM 0 HA LEU A 214 -0.417 -3.272 5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 214 -1.425 -5.468 6.321 1.00 0.00 H new ATOM 0 HB3 LEU A 214 -0.506 -6.308 5.088 1.00 0.00 H new ATOM 0 HG LEU A 214 1.575 -5.711 6.025 1.00 0.00 H new ATOM 0 HD11 LEU A 214 1.898 -3.923 7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 214 1.180 -3.291 6.192 1.00 0.00 H new ATOM 0 HD13 LEU A 214 0.160 -3.547 7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 214 1.358 -6.217 8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 214 -0.387 -5.878 8.370 1.00 0.00 H new ATOM 0 HD23 LEU A 214 0.298 -7.268 7.495 1.00 0.00 H new ATOM 701 N ILE A 215 1.079 -3.173 3.421 1.00 0.00 N ATOM 702 CA ILE A 215 2.061 -3.172 2.313 1.00 0.00 C ATOM 703 C ILE A 215 3.475 -3.479 2.799 1.00 0.00 C ATOM 704 O ILE A 215 4.126 -2.651 3.405 1.00 0.00 O ATOM 705 CB ILE A 215 2.011 -1.756 1.763 1.00 0.00 C ATOM 706 CG1 ILE A 215 0.559 -1.286 1.630 1.00 0.00 C ATOM 707 CG2 ILE A 215 2.687 -1.731 0.401 1.00 0.00 C ATOM 708 CD1 ILE A 215 -0.197 -2.203 0.672 1.00 0.00 C ATOM 0 H ILE A 215 0.978 -2.287 3.917 1.00 0.00 H new ATOM 0 HA ILE A 215 1.820 -3.937 1.575 1.00 0.00 H new ATOM 0 HB ILE A 215 2.530 -1.085 2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 215 0.076 -1.288 2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.532 -0.260 1.263 1.00 0.00 H new ATOM 0 HG21 ILE A 215 2.656 -0.719 -0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 215 3.724 -2.049 0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 215 2.166 -2.407 -0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -1.229 -1.864 0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.280 -2.179 -0.308 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.183 -3.223 1.057 1.00 0.00 H new ATOM 720 N LYS A 216 3.976 -4.647 2.505 1.00 0.00 N ATOM 721 CA LYS A 216 5.371 -4.966 2.914 1.00 0.00 C ATOM 722 C LYS A 216 6.327 -4.164 2.024 1.00 0.00 C ATOM 723 O LYS A 216 6.673 -4.580 0.936 1.00 0.00 O ATOM 724 CB LYS A 216 5.547 -6.470 2.675 1.00 0.00 C ATOM 725 CG LYS A 216 7.036 -6.820 2.708 1.00 0.00 C ATOM 726 CD LYS A 216 7.209 -8.336 2.606 1.00 0.00 C ATOM 727 CE LYS A 216 7.510 -8.909 3.993 1.00 0.00 C ATOM 728 NZ LYS A 216 8.992 -8.850 4.120 1.00 0.00 N ATOM 0 H LYS A 216 3.485 -5.387 2.004 1.00 0.00 H new ATOM 0 HA LYS A 216 5.576 -4.715 3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 216 5.012 -7.036 3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 216 5.118 -6.749 1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 216 7.554 -6.329 1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 216 7.486 -6.454 3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 216 6.304 -8.790 2.202 1.00 0.00 H new ATOM 0 HD3 LYS A 216 8.020 -8.575 1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 216 7.023 -8.326 4.775 1.00 0.00 H new ATOM 0 HE3 LYS A 216 7.146 -9.932 4.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 216 9.276 -9.227 5.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 216 9.428 -9.419 3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 216 9.309 -7.863 4.035 1.00 0.00 H new ATOM 742 N TRP A 217 6.739 -3.005 2.459 1.00 0.00 N ATOM 743 CA TRP A 217 7.653 -2.183 1.614 1.00 0.00 C ATOM 744 C TRP A 217 9.081 -2.727 1.687 1.00 0.00 C ATOM 745 O TRP A 217 9.433 -3.464 2.586 1.00 0.00 O ATOM 746 CB TRP A 217 7.593 -0.773 2.202 1.00 0.00 C ATOM 747 CG TRP A 217 6.185 -0.267 2.174 1.00 0.00 C ATOM 748 CD1 TRP A 217 5.306 -0.379 3.193 1.00 0.00 C ATOM 749 CD2 TRP A 217 5.478 0.420 1.097 1.00 0.00 C ATOM 750 NE1 TRP A 217 4.116 0.215 2.825 1.00 0.00 N ATOM 751 CE2 TRP A 217 4.165 0.713 1.539 1.00 0.00 C ATOM 752 CE3 TRP A 217 5.842 0.817 -0.203 1.00 0.00 C ATOM 753 CZ2 TRP A 217 3.246 1.375 0.721 1.00 0.00 C ATOM 754 CZ3 TRP A 217 4.918 1.483 -1.029 1.00 0.00 C ATOM 755 CH2 TRP A 217 3.624 1.759 -0.568 1.00 0.00 C ATOM 0 H TRP A 217 6.485 -2.593 3.357 1.00 0.00 H new ATOM 0 HA TRP A 217 7.357 -2.199 0.565 1.00 0.00 H new ATOM 0 HB2 TRP A 217 7.965 -0.781 3.227 1.00 0.00 H new ATOM 0 HB3 TRP A 217 8.240 -0.105 1.633 1.00 0.00 H new ATOM 0 HD1 TRP A 217 5.502 -0.856 4.142 1.00 0.00 H new ATOM 0 HE1 TRP A 217 3.298 0.278 3.431 1.00 0.00 H new ATOM 0 HE3 TRP A 217 6.837 0.609 -0.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 217 2.251 1.588 1.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 217 5.208 1.783 -2.025 1.00 0.00 H new ATOM 0 HH2 TRP A 217 2.919 2.268 -1.209 1.00 0.00 H new ATOM 871 N ASN A 225 7.110 -3.146 6.976 1.00 0.00 N ATOM 872 CA ASN A 225 5.684 -3.324 6.574 1.00 0.00 C ATOM 873 C ASN A 225 4.808 -2.259 7.234 1.00 0.00 C ATOM 874 O ASN A 225 5.028 -1.867 8.363 1.00 0.00 O ATOM 875 CB ASN A 225 5.303 -4.717 7.074 1.00 0.00 C ATOM 876 CG ASN A 225 6.399 -5.714 6.690 1.00 0.00 C ATOM 877 OD1 ASN A 225 7.183 -5.446 5.682 1.00 0.00 O flip ATOM 878 ND2 ASN A 225 6.542 -6.747 7.313 1.00 0.00 N flip ATOM 0 HA ASN A 225 5.544 -3.224 5.498 1.00 0.00 H new ATOM 0 HB2 ASN A 225 5.172 -4.703 8.156 1.00 0.00 H new ATOM 0 HB3 ASN A 225 4.350 -5.023 6.641 1.00 0.00 H new ATOM 0 HD21 ASN A 225 5.929 -6.956 8.101 1.00 0.00 H new ATOM 0 HD22 ASN A 225 7.275 -7.405 7.048 1.00 0.00 H new ATOM 885 N THR A 226 3.813 -1.794 6.534 1.00 0.00 N ATOM 886 CA THR A 226 2.910 -0.761 7.106 1.00 0.00 C ATOM 887 C THR A 226 1.536 -0.881 6.455 1.00 0.00 C ATOM 888 O THR A 226 1.395 -1.441 5.387 1.00 0.00 O ATOM 889 CB THR A 226 3.557 0.580 6.754 1.00 0.00 C ATOM 890 OG1 THR A 226 3.996 0.553 5.402 1.00 0.00 O ATOM 891 CG2 THR A 226 4.747 0.834 7.682 1.00 0.00 C ATOM 0 H THR A 226 3.586 -2.088 5.584 1.00 0.00 H new ATOM 0 HA THR A 226 2.776 -0.867 8.183 1.00 0.00 H new ATOM 0 HB THR A 226 2.828 1.381 6.880 1.00 0.00 H new ATOM 0 HG1 THR A 226 4.881 0.136 5.354 1.00 0.00 H new ATOM 0 HG21 THR A 226 5.207 1.790 7.430 1.00 0.00 H new ATOM 0 HG22 THR A 226 4.403 0.858 8.716 1.00 0.00 H new ATOM 0 HG23 THR A 226 5.479 0.036 7.561 1.00 0.00 H new ATOM 899 N TRP A 227 0.521 -0.372 7.086 1.00 0.00 N ATOM 900 CA TRP A 227 -0.837 -0.474 6.492 1.00 0.00 C ATOM 901 C TRP A 227 -1.179 0.798 5.720 1.00 0.00 C ATOM 902 O TRP A 227 -1.484 1.825 6.294 1.00 0.00 O ATOM 903 CB TRP A 227 -1.767 -0.667 7.685 1.00 0.00 C ATOM 904 CG TRP A 227 -1.692 -2.094 8.109 1.00 0.00 C ATOM 905 CD1 TRP A 227 -0.722 -2.626 8.890 1.00 0.00 C ATOM 906 CD2 TRP A 227 -2.592 -3.186 7.769 1.00 0.00 C ATOM 907 NE1 TRP A 227 -0.974 -3.976 9.054 1.00 0.00 N ATOM 908 CE2 TRP A 227 -2.118 -4.367 8.385 1.00 0.00 C ATOM 909 CE3 TRP A 227 -3.763 -3.263 6.997 1.00 0.00 C ATOM 910 CZ2 TRP A 227 -2.782 -5.583 8.236 1.00 0.00 C ATOM 911 CZ3 TRP A 227 -4.432 -4.488 6.846 1.00 0.00 C ATOM 912 CH2 TRP A 227 -3.940 -5.644 7.466 1.00 0.00 C ATOM 0 H TRP A 227 0.571 0.109 7.984 1.00 0.00 H new ATOM 0 HA TRP A 227 -0.922 -1.293 5.778 1.00 0.00 H new ATOM 0 HB2 TRP A 227 -1.474 -0.011 8.505 1.00 0.00 H new ATOM 0 HB3 TRP A 227 -2.790 -0.404 7.416 1.00 0.00 H new ATOM 0 HD1 TRP A 227 0.111 -2.085 9.315 1.00 0.00 H new ATOM 0 HE1 TRP A 227 -0.387 -4.606 9.602 1.00 0.00 H new ATOM 0 HE3 TRP A 227 -4.150 -2.376 6.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 227 -2.401 -6.473 8.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 227 -5.330 -4.539 6.249 1.00 0.00 H new ATOM 0 HH2 TRP A 227 -4.460 -6.583 7.346 1.00 0.00 H new ATOM 923 N GLU A 228 -1.129 0.738 4.417 1.00 0.00 N ATOM 924 CA GLU A 228 -1.449 1.943 3.604 1.00 0.00 C ATOM 925 C GLU A 228 -2.803 1.776 2.915 1.00 0.00 C ATOM 926 O GLU A 228 -3.528 0.832 3.159 1.00 0.00 O ATOM 927 CB GLU A 228 -0.330 2.036 2.567 1.00 0.00 C ATOM 928 CG GLU A 228 1.027 1.987 3.272 1.00 0.00 C ATOM 929 CD GLU A 228 1.713 3.349 3.156 1.00 0.00 C ATOM 930 OE1 GLU A 228 2.163 3.674 2.069 1.00 0.00 O ATOM 931 OE2 GLU A 228 1.777 4.046 4.155 1.00 0.00 O ATOM 0 H GLU A 228 -0.880 -0.094 3.882 1.00 0.00 H new ATOM 0 HA GLU A 228 -1.513 2.843 4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 228 -0.411 1.215 1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 228 -0.423 2.961 1.999 1.00 0.00 H new ATOM 0 HG2 GLU A 228 0.894 1.723 4.321 1.00 0.00 H new ATOM 0 HG3 GLU A 228 1.653 1.214 2.826 1.00 0.00 H new ATOM 938 N THR A 229 -3.143 2.688 2.049 1.00 0.00 N ATOM 939 CA THR A 229 -4.440 2.601 1.328 1.00 0.00 C ATOM 940 C THR A 229 -4.231 3.031 -0.121 1.00 0.00 C ATOM 941 O THR A 229 -3.348 3.810 -0.416 1.00 0.00 O ATOM 942 CB THR A 229 -5.364 3.582 2.049 1.00 0.00 C ATOM 943 OG1 THR A 229 -4.601 4.683 2.525 1.00 0.00 O ATOM 944 CG2 THR A 229 -6.038 2.881 3.228 1.00 0.00 C ATOM 0 H THR A 229 -2.571 3.498 1.808 1.00 0.00 H new ATOM 0 HA THR A 229 -4.855 1.593 1.321 1.00 0.00 H new ATOM 0 HB THR A 229 -6.128 3.938 1.357 1.00 0.00 H new ATOM 0 HG1 THR A 229 -5.191 5.315 2.986 1.00 0.00 H new ATOM 0 HG21 THR A 229 -6.696 3.583 3.740 1.00 0.00 H new ATOM 0 HG22 THR A 229 -6.622 2.036 2.863 1.00 0.00 H new ATOM 0 HG23 THR A 229 -5.277 2.524 3.922 1.00 0.00 H new ATOM 952 N TYR A 230 -5.021 2.536 -1.028 1.00 0.00 N ATOM 953 CA TYR A 230 -4.836 2.931 -2.451 1.00 0.00 C ATOM 954 C TYR A 230 -4.607 4.442 -2.551 1.00 0.00 C ATOM 955 O TYR A 230 -3.886 4.917 -3.406 1.00 0.00 O ATOM 956 CB TYR A 230 -6.140 2.549 -3.152 1.00 0.00 C ATOM 957 CG TYR A 230 -6.183 1.060 -3.402 1.00 0.00 C ATOM 958 CD1 TYR A 230 -5.320 0.478 -4.338 1.00 0.00 C ATOM 959 CD2 TYR A 230 -7.100 0.264 -2.706 1.00 0.00 C ATOM 960 CE1 TYR A 230 -5.376 -0.900 -4.578 1.00 0.00 C ATOM 961 CE2 TYR A 230 -7.154 -1.114 -2.944 1.00 0.00 C ATOM 962 CZ TYR A 230 -6.294 -1.696 -3.881 1.00 0.00 C ATOM 963 OH TYR A 230 -6.351 -3.053 -4.119 1.00 0.00 O ATOM 0 H TYR A 230 -5.781 1.880 -0.850 1.00 0.00 H new ATOM 0 HA TYR A 230 -3.974 2.440 -2.902 1.00 0.00 H new ATOM 0 HB2 TYR A 230 -6.991 2.847 -2.539 1.00 0.00 H new ATOM 0 HB3 TYR A 230 -6.224 3.086 -4.097 1.00 0.00 H new ATOM 0 HD1 TYR A 230 -4.612 1.092 -4.875 1.00 0.00 H new ATOM 0 HD2 TYR A 230 -7.766 0.714 -1.985 1.00 0.00 H new ATOM 0 HE1 TYR A 230 -4.711 -1.350 -5.301 1.00 0.00 H new ATOM 0 HE2 TYR A 230 -7.860 -1.728 -2.404 1.00 0.00 H new ATOM 0 HH TYR A 230 -7.253 -3.382 -3.921 1.00 0.00 H new ATOM 973 N GLU A 231 -5.217 5.198 -1.682 1.00 0.00 N ATOM 974 CA GLU A 231 -5.042 6.679 -1.722 1.00 0.00 C ATOM 975 C GLU A 231 -3.593 7.050 -1.398 1.00 0.00 C ATOM 976 O GLU A 231 -3.187 8.187 -1.536 1.00 0.00 O ATOM 977 CB GLU A 231 -5.988 7.213 -0.645 1.00 0.00 C ATOM 978 CG GLU A 231 -6.430 8.632 -1.009 1.00 0.00 C ATOM 979 CD GLU A 231 -5.780 9.631 -0.050 1.00 0.00 C ATOM 980 OE1 GLU A 231 -4.882 9.231 0.672 1.00 0.00 O ATOM 981 OE2 GLU A 231 -6.192 10.780 -0.054 1.00 0.00 O ATOM 0 H GLU A 231 -5.831 4.855 -0.943 1.00 0.00 H new ATOM 0 HA GLU A 231 -5.262 7.097 -2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -6.858 6.562 -0.555 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.489 7.214 0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -6.146 8.860 -2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -7.516 8.712 -0.953 1.00 0.00 H new ATOM 988 N SER A 232 -2.810 6.102 -0.964 1.00 0.00 N ATOM 989 CA SER A 232 -1.386 6.406 -0.627 1.00 0.00 C ATOM 990 C SER A 232 -0.447 5.393 -1.290 1.00 0.00 C ATOM 991 O SER A 232 0.755 5.564 -1.300 1.00 0.00 O ATOM 992 CB SER A 232 -1.309 6.287 0.894 1.00 0.00 C ATOM 993 OG SER A 232 -2.206 7.217 1.485 1.00 0.00 O ATOM 0 H SER A 232 -3.091 5.131 -0.827 1.00 0.00 H new ATOM 0 HA SER A 232 -1.083 7.392 -0.980 1.00 0.00 H new ATOM 0 HB2 SER A 232 -1.562 5.273 1.204 1.00 0.00 H new ATOM 0 HB3 SER A 232 -0.291 6.480 1.234 1.00 0.00 H new ATOM 0 HG SER A 232 -2.160 7.141 2.461 1.00 0.00 H new ATOM 999 N ILE A 233 -0.983 4.338 -1.837 1.00 0.00 N ATOM 1000 CA ILE A 233 -0.116 3.312 -2.490 1.00 0.00 C ATOM 1001 C ILE A 233 -0.586 3.082 -3.937 1.00 0.00 C ATOM 1002 O ILE A 233 -0.181 2.143 -4.594 1.00 0.00 O ATOM 1003 CB ILE A 233 -0.240 2.034 -1.611 1.00 0.00 C ATOM 1004 CG1 ILE A 233 -0.444 0.786 -2.475 1.00 0.00 C ATOM 1005 CG2 ILE A 233 -1.417 2.145 -0.636 1.00 0.00 C ATOM 1006 CD1 ILE A 233 -0.744 -0.412 -1.571 1.00 0.00 C ATOM 0 H ILE A 233 -1.983 4.140 -1.861 1.00 0.00 H new ATOM 0 HA ILE A 233 0.928 3.619 -2.557 1.00 0.00 H new ATOM 0 HB ILE A 233 0.692 1.945 -1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 233 -1.266 0.944 -3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 233 0.448 0.592 -3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 233 -1.479 1.238 -0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 233 -1.268 3.004 0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 233 -2.343 2.273 -1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 233 -0.890 -1.302 -2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 233 0.092 -0.573 -0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 233 -1.648 -0.216 -0.995 1.00 0.00 H new ATOM 1018 N GLY A 234 -1.433 3.938 -4.439 1.00 0.00 N ATOM 1019 CA GLY A 234 -1.923 3.766 -5.837 1.00 0.00 C ATOM 1020 C GLY A 234 -1.061 4.586 -6.803 1.00 0.00 C ATOM 1021 O GLY A 234 -1.565 5.372 -7.579 1.00 0.00 O ATOM 0 H GLY A 234 -1.807 4.747 -3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 234 -1.891 2.712 -6.114 1.00 0.00 H new ATOM 0 HA3 GLY A 234 -2.963 4.083 -5.907 1.00 0.00 H new ATOM 1025 N GLN A 235 0.234 4.406 -6.773 1.00 0.00 N ATOM 1026 CA GLN A 235 1.110 5.179 -7.705 1.00 0.00 C ATOM 1027 C GLN A 235 2.582 4.789 -7.519 1.00 0.00 C ATOM 1028 O GLN A 235 3.468 5.614 -7.611 1.00 0.00 O ATOM 1029 CB GLN A 235 0.891 6.646 -7.332 1.00 0.00 C ATOM 1030 CG GLN A 235 1.198 6.850 -5.848 1.00 0.00 C ATOM 1031 CD GLN A 235 2.333 7.864 -5.697 1.00 0.00 C ATOM 1032 OE1 GLN A 235 2.915 8.291 -6.675 1.00 0.00 O ATOM 1033 NE2 GLN A 235 2.673 8.274 -4.505 1.00 0.00 N ATOM 0 H GLN A 235 0.721 3.763 -6.149 1.00 0.00 H new ATOM 0 HA GLN A 235 0.867 4.981 -8.749 1.00 0.00 H new ATOM 0 HB2 GLN A 235 1.533 7.285 -7.938 1.00 0.00 H new ATOM 0 HB3 GLN A 235 -0.138 6.936 -7.544 1.00 0.00 H new ATOM 0 HG2 GLN A 235 0.308 7.204 -5.327 1.00 0.00 H new ATOM 0 HG3 GLN A 235 1.480 5.902 -5.390 1.00 0.00 H new ATOM 0 HE21 GLN A 235 2.185 7.916 -3.684 1.00 0.00 H new ATOM 0 HE22 GLN A 235 3.427 8.952 -4.395 1.00 0.00 H new ATOM 1042 N VAL A 236 2.848 3.536 -7.268 1.00 0.00 N ATOM 1043 CA VAL A 236 4.261 3.087 -7.082 1.00 0.00 C ATOM 1044 C VAL A 236 4.357 1.582 -7.337 1.00 0.00 C ATOM 1045 O VAL A 236 5.034 0.865 -6.627 1.00 0.00 O ATOM 1046 CB VAL A 236 4.589 3.392 -5.621 1.00 0.00 C ATOM 1047 CG1 VAL A 236 4.710 4.901 -5.418 1.00 0.00 C ATOM 1048 CG2 VAL A 236 3.472 2.850 -4.728 1.00 0.00 C ATOM 0 H VAL A 236 2.147 2.800 -7.183 1.00 0.00 H new ATOM 0 HA VAL A 236 4.948 3.585 -7.766 1.00 0.00 H new ATOM 0 HB VAL A 236 5.535 2.918 -5.360 1.00 0.00 H new ATOM 0 HG11 VAL A 236 4.944 5.110 -4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 236 5.505 5.291 -6.053 1.00 0.00 H new ATOM 0 HG13 VAL A 236 3.767 5.380 -5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 236 3.703 3.066 -3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 236 2.529 3.325 -4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 236 3.387 1.772 -4.865 1.00 0.00 H new ATOM 1058 N ARG A 237 3.657 1.094 -8.328 1.00 0.00 N ATOM 1059 CA ARG A 237 3.675 -0.372 -8.616 1.00 0.00 C ATOM 1060 C ARG A 237 2.881 -1.115 -7.532 1.00 0.00 C ATOM 1061 O ARG A 237 2.725 -2.325 -7.569 1.00 0.00 O ATOM 1062 CB ARG A 237 5.150 -0.782 -8.590 1.00 0.00 C ATOM 1063 CG ARG A 237 5.398 -1.865 -9.643 1.00 0.00 C ATOM 1064 CD ARG A 237 6.901 -2.110 -9.783 1.00 0.00 C ATOM 1065 NE ARG A 237 7.064 -3.585 -9.660 1.00 0.00 N ATOM 1066 CZ ARG A 237 8.242 -4.127 -9.810 1.00 0.00 C ATOM 1067 NH1 ARG A 237 9.229 -3.766 -9.035 1.00 0.00 N ATOM 1068 NH2 ARG A 237 8.434 -5.029 -10.734 1.00 0.00 N ATOM 0 H ARG A 237 3.072 1.649 -8.952 1.00 0.00 H new ATOM 0 HA ARG A 237 3.220 -0.613 -9.577 1.00 0.00 H new ATOM 0 HB2 ARG A 237 5.782 0.084 -8.787 1.00 0.00 H new ATOM 0 HB3 ARG A 237 5.418 -1.154 -7.601 1.00 0.00 H new ATOM 0 HG2 ARG A 237 4.894 -2.788 -9.356 1.00 0.00 H new ATOM 0 HG3 ARG A 237 4.979 -1.558 -10.601 1.00 0.00 H new ATOM 0 HD2 ARG A 237 7.272 -1.751 -10.743 1.00 0.00 H new ATOM 0 HD3 ARG A 237 7.460 -1.585 -9.009 1.00 0.00 H new ATOM 0 HE ARG A 237 6.255 -4.172 -9.458 1.00 0.00 H new ATOM 0 HH11 ARG A 237 9.079 -3.061 -8.313 1.00 0.00 H new ATOM 0 HH12 ARG A 237 10.150 -4.189 -9.151 1.00 0.00 H new ATOM 0 HH21 ARG A 237 7.663 -5.311 -11.340 1.00 0.00 H new ATOM 0 HH22 ARG A 237 9.355 -5.452 -10.850 1.00 0.00 H new ATOM 1082 N GLY A 238 2.362 -0.392 -6.569 1.00 0.00 N ATOM 1083 CA GLY A 238 1.574 -1.040 -5.493 1.00 0.00 C ATOM 1084 C GLY A 238 0.319 -1.643 -6.108 1.00 0.00 C ATOM 1085 O GLY A 238 0.090 -2.831 -6.035 1.00 0.00 O ATOM 0 H GLY A 238 2.455 0.621 -6.488 1.00 0.00 H new ATOM 0 HA2 GLY A 238 2.166 -1.814 -5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.308 -0.311 -4.727 1.00 0.00 H new ATOM 1089 N LEU A 239 -0.491 -0.831 -6.726 1.00 0.00 N ATOM 1090 CA LEU A 239 -1.728 -1.358 -7.357 1.00 0.00 C ATOM 1091 C LEU A 239 -1.416 -2.651 -8.106 1.00 0.00 C ATOM 1092 O LEU A 239 -2.241 -3.530 -8.202 1.00 0.00 O ATOM 1093 CB LEU A 239 -2.175 -0.266 -8.328 1.00 0.00 C ATOM 1094 CG LEU A 239 -2.882 0.849 -7.557 1.00 0.00 C ATOM 1095 CD1 LEU A 239 -2.699 2.174 -8.300 1.00 0.00 C ATOM 1096 CD2 LEU A 239 -4.373 0.525 -7.449 1.00 0.00 C ATOM 0 H LEU A 239 -0.349 0.175 -6.821 1.00 0.00 H new ATOM 0 HA LEU A 239 -2.503 -1.590 -6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 239 -1.313 0.136 -8.860 1.00 0.00 H new ATOM 0 HB3 LEU A 239 -2.846 -0.685 -9.078 1.00 0.00 H new ATOM 0 HG LEU A 239 -2.455 0.931 -6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 239 -3.202 2.971 -7.752 1.00 0.00 H new ATOM 0 HD12 LEU A 239 -1.636 2.403 -8.379 1.00 0.00 H new ATOM 0 HD13 LEU A 239 -3.128 2.093 -9.299 1.00 0.00 H new ATOM 0 HD21 LEU A 239 -4.879 1.319 -6.900 1.00 0.00 H new ATOM 0 HD22 LEU A 239 -4.801 0.445 -8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 239 -4.503 -0.420 -6.922 1.00 0.00 H new ATOM 1108 N LYS A 240 -0.229 -2.782 -8.629 1.00 0.00 N ATOM 1109 CA LYS A 240 0.120 -4.033 -9.358 1.00 0.00 C ATOM 1110 C LYS A 240 0.126 -5.206 -8.382 1.00 0.00 C ATOM 1111 O LYS A 240 -0.652 -6.131 -8.505 1.00 0.00 O ATOM 1112 CB LYS A 240 1.518 -3.797 -9.920 1.00 0.00 C ATOM 1113 CG LYS A 240 1.920 -4.976 -10.810 1.00 0.00 C ATOM 1114 CD LYS A 240 0.805 -5.258 -11.818 1.00 0.00 C ATOM 1115 CE LYS A 240 1.390 -5.956 -13.047 1.00 0.00 C ATOM 1116 NZ LYS A 240 0.418 -7.038 -13.369 1.00 0.00 N ATOM 0 H LYS A 240 0.511 -2.081 -8.584 1.00 0.00 H new ATOM 0 HA LYS A 240 -0.593 -4.268 -10.148 1.00 0.00 H new ATOM 0 HB2 LYS A 240 1.538 -2.871 -10.495 1.00 0.00 H new ATOM 0 HB3 LYS A 240 2.234 -3.682 -9.106 1.00 0.00 H new ATOM 0 HG2 LYS A 240 2.849 -4.750 -11.333 1.00 0.00 H new ATOM 0 HG3 LYS A 240 2.105 -5.860 -10.199 1.00 0.00 H new ATOM 0 HD2 LYS A 240 0.038 -5.884 -11.362 1.00 0.00 H new ATOM 0 HD3 LYS A 240 0.322 -4.326 -12.112 1.00 0.00 H new ATOM 0 HE2 LYS A 240 1.500 -5.262 -13.881 1.00 0.00 H new ATOM 0 HE3 LYS A 240 2.379 -6.363 -12.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 0.748 -7.565 -14.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 0.339 -7.686 -12.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 -0.513 -6.620 -13.570 1.00 0.00 H new ATOM 1130 N ARG A 241 0.983 -5.169 -7.398 1.00 0.00 N ATOM 1131 CA ARG A 241 1.004 -6.286 -6.409 1.00 0.00 C ATOM 1132 C ARG A 241 -0.264 -6.211 -5.562 1.00 0.00 C ATOM 1133 O ARG A 241 -0.790 -7.208 -5.109 1.00 0.00 O ATOM 1134 CB ARG A 241 2.251 -6.055 -5.557 1.00 0.00 C ATOM 1135 CG ARG A 241 3.438 -5.750 -6.472 1.00 0.00 C ATOM 1136 CD ARG A 241 4.657 -6.556 -6.016 1.00 0.00 C ATOM 1137 NE ARG A 241 4.737 -7.699 -6.967 1.00 0.00 N ATOM 1138 CZ ARG A 241 5.897 -8.218 -7.268 1.00 0.00 C ATOM 1139 NH1 ARG A 241 6.930 -7.443 -7.453 1.00 0.00 N ATOM 1140 NH2 ARG A 241 6.023 -9.512 -7.382 1.00 0.00 N ATOM 0 H ARG A 241 1.661 -4.425 -7.236 1.00 0.00 H new ATOM 0 HA ARG A 241 1.033 -7.271 -6.876 1.00 0.00 H new ATOM 0 HB2 ARG A 241 2.086 -5.227 -4.867 1.00 0.00 H new ATOM 0 HB3 ARG A 241 2.461 -6.937 -4.952 1.00 0.00 H new ATOM 0 HG2 ARG A 241 3.189 -6.000 -7.503 1.00 0.00 H new ATOM 0 HG3 ARG A 241 3.664 -4.684 -6.448 1.00 0.00 H new ATOM 0 HD2 ARG A 241 5.564 -5.952 -6.047 1.00 0.00 H new ATOM 0 HD3 ARG A 241 4.540 -6.903 -4.990 1.00 0.00 H new ATOM 0 HE ARG A 241 3.886 -8.077 -7.383 1.00 0.00 H new ATOM 0 HH11 ARG A 241 6.832 -6.432 -7.363 1.00 0.00 H new ATOM 0 HH12 ARG A 241 7.836 -7.848 -7.688 1.00 0.00 H new ATOM 0 HH21 ARG A 241 5.216 -10.118 -7.236 1.00 0.00 H new ATOM 0 HH22 ARG A 241 6.929 -9.917 -7.617 1.00 0.00 H new ATOM 1154 N LEU A 242 -0.775 -5.024 -5.377 1.00 0.00 N ATOM 1155 CA LEU A 242 -2.027 -4.857 -4.596 1.00 0.00 C ATOM 1156 C LEU A 242 -3.184 -5.416 -5.417 1.00 0.00 C ATOM 1157 O LEU A 242 -4.122 -5.982 -4.892 1.00 0.00 O ATOM 1158 CB LEU A 242 -2.166 -3.342 -4.420 1.00 0.00 C ATOM 1159 CG LEU A 242 -2.932 -3.025 -3.134 1.00 0.00 C ATOM 1160 CD1 LEU A 242 -4.177 -3.905 -3.047 1.00 0.00 C ATOM 1161 CD2 LEU A 242 -2.034 -3.286 -1.923 1.00 0.00 C ATOM 0 H LEU A 242 -0.373 -4.158 -5.737 1.00 0.00 H new ATOM 0 HA LEU A 242 -2.020 -5.373 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -1.179 -2.881 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -2.688 -2.916 -5.277 1.00 0.00 H new ATOM 0 HG LEU A 242 -3.231 -1.977 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -4.720 -3.677 -2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -4.819 -3.713 -3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -3.881 -4.954 -3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -2.582 -3.059 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -1.730 -4.333 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.149 -2.652 -1.983 1.00 0.00 H new ATOM 1173 N ASP A 243 -3.109 -5.276 -6.714 1.00 0.00 N ATOM 1174 CA ASP A 243 -4.197 -5.821 -7.577 1.00 0.00 C ATOM 1175 C ASP A 243 -4.172 -7.341 -7.494 1.00 0.00 C ATOM 1176 O ASP A 243 -5.176 -7.977 -7.243 1.00 0.00 O ATOM 1177 CB ASP A 243 -3.880 -5.357 -9.001 1.00 0.00 C ATOM 1178 CG ASP A 243 -4.524 -3.992 -9.249 1.00 0.00 C ATOM 1179 OD1 ASP A 243 -5.643 -3.797 -8.802 1.00 0.00 O ATOM 1180 OD2 ASP A 243 -3.888 -3.164 -9.881 1.00 0.00 O ATOM 0 H ASP A 243 -2.348 -4.812 -7.210 1.00 0.00 H new ATOM 0 HA ASP A 243 -5.185 -5.479 -7.269 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -2.801 -5.293 -9.142 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -4.253 -6.083 -9.723 1.00 0.00 H new ATOM 1185 N ASN A 244 -3.025 -7.932 -7.687 1.00 0.00 N ATOM 1186 CA ASN A 244 -2.944 -9.415 -7.598 1.00 0.00 C ATOM 1187 C ASN A 244 -3.250 -9.856 -6.167 1.00 0.00 C ATOM 1188 O ASN A 244 -3.566 -10.999 -5.916 1.00 0.00 O ATOM 1189 CB ASN A 244 -1.506 -9.768 -7.974 1.00 0.00 C ATOM 1190 CG ASN A 244 -1.492 -11.082 -8.756 1.00 0.00 C ATOM 1191 OD1 ASN A 244 -1.963 -11.107 -9.973 1.00 0.00 O flip ATOM 1192 ND2 ASN A 244 -1.050 -12.096 -8.256 1.00 0.00 N flip ATOM 0 H ASN A 244 -2.148 -7.456 -7.901 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.659 -9.912 -8.254 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -1.069 -8.970 -8.575 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -0.896 -9.861 -7.075 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -0.682 -12.077 -7.305 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -1.047 -12.967 -8.787 1.00 0.00 H new ATOM 1199 N TYR A 245 -3.178 -8.953 -5.224 1.00 0.00 N ATOM 1200 CA TYR A 245 -3.491 -9.333 -3.827 1.00 0.00 C ATOM 1201 C TYR A 245 -5.002 -9.302 -3.638 1.00 0.00 C ATOM 1202 O TYR A 245 -5.591 -10.195 -3.061 1.00 0.00 O ATOM 1203 CB TYR A 245 -2.823 -8.278 -2.948 1.00 0.00 C ATOM 1204 CG TYR A 245 -3.301 -8.461 -1.531 1.00 0.00 C ATOM 1205 CD1 TYR A 245 -2.644 -9.361 -0.686 1.00 0.00 C ATOM 1206 CD2 TYR A 245 -4.410 -7.743 -1.067 1.00 0.00 C ATOM 1207 CE1 TYR A 245 -3.093 -9.543 0.626 1.00 0.00 C ATOM 1208 CE2 TYR A 245 -4.859 -7.924 0.247 1.00 0.00 C ATOM 1209 CZ TYR A 245 -4.199 -8.825 1.093 1.00 0.00 C ATOM 1210 OH TYR A 245 -4.639 -9.008 2.386 1.00 0.00 O ATOM 0 H TYR A 245 -2.917 -7.977 -5.365 1.00 0.00 H new ATOM 0 HA TYR A 245 -3.136 -10.333 -3.576 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -1.739 -8.376 -2.997 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -3.069 -7.278 -3.304 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -1.790 -9.915 -1.046 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -4.918 -7.051 -1.722 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -2.586 -10.238 1.279 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -5.713 -7.370 0.608 1.00 0.00 H new ATOM 0 HH TYR A 245 -5.576 -8.731 2.455 1.00 0.00 H new ATOM 1220 N CYS A 246 -5.638 -8.280 -4.141 1.00 0.00 N ATOM 1221 CA CYS A 246 -7.112 -8.188 -4.016 1.00 0.00 C ATOM 1222 C CYS A 246 -7.749 -9.363 -4.757 1.00 0.00 C ATOM 1223 O CYS A 246 -8.777 -9.878 -4.370 1.00 0.00 O ATOM 1224 CB CYS A 246 -7.489 -6.862 -4.676 1.00 0.00 C ATOM 1225 SG CYS A 246 -7.449 -5.539 -3.441 1.00 0.00 S ATOM 0 H CYS A 246 -5.195 -7.505 -4.634 1.00 0.00 H new ATOM 0 HA CYS A 246 -7.454 -8.226 -2.982 1.00 0.00 H new ATOM 0 HB2 CYS A 246 -6.796 -6.638 -5.487 1.00 0.00 H new ATOM 0 HB3 CYS A 246 -8.484 -6.933 -5.116 1.00 0.00 H new ATOM 0 HG CYS A 246 -6.500 -4.700 -3.734 1.00 0.00 H new ATOM 1231 N LYS A 247 -7.132 -9.795 -5.820 1.00 0.00 N ATOM 1232 CA LYS A 247 -7.691 -10.941 -6.583 1.00 0.00 C ATOM 1233 C LYS A 247 -7.283 -12.252 -5.907 1.00 0.00 C ATOM 1234 O LYS A 247 -7.949 -13.261 -6.027 1.00 0.00 O ATOM 1235 CB LYS A 247 -7.087 -10.812 -7.991 1.00 0.00 C ATOM 1236 CG LYS A 247 -5.697 -11.454 -8.035 1.00 0.00 C ATOM 1237 CD LYS A 247 -5.170 -11.419 -9.471 1.00 0.00 C ATOM 1238 CE LYS A 247 -5.247 -9.987 -10.007 1.00 0.00 C ATOM 1239 NZ LYS A 247 -6.415 -9.983 -10.932 1.00 0.00 N ATOM 0 H LYS A 247 -6.266 -9.404 -6.192 1.00 0.00 H new ATOM 0 HA LYS A 247 -8.780 -10.939 -6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -7.740 -11.293 -8.719 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -7.018 -9.760 -8.269 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -5.016 -10.920 -7.372 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -5.747 -12.483 -7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -4.140 -11.775 -9.501 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -5.757 -12.087 -10.102 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -5.382 -9.270 -9.198 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -4.330 -9.711 -10.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -6.907 -9.069 -10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -6.086 -10.129 -11.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -7.068 -10.748 -10.669 1.00 0.00 H new ATOM 1253 N GLN A 248 -6.199 -12.236 -5.182 1.00 0.00 N ATOM 1254 CA GLN A 248 -5.751 -13.470 -4.479 1.00 0.00 C ATOM 1255 C GLN A 248 -6.267 -13.456 -3.040 1.00 0.00 C ATOM 1256 O GLN A 248 -6.120 -14.414 -2.308 1.00 0.00 O ATOM 1257 CB GLN A 248 -4.224 -13.407 -4.492 1.00 0.00 C ATOM 1258 CG GLN A 248 -3.653 -14.815 -4.310 1.00 0.00 C ATOM 1259 CD GLN A 248 -2.465 -15.015 -5.253 1.00 0.00 C ATOM 1260 OE1 GLN A 248 -2.473 -15.906 -6.080 1.00 0.00 O ATOM 1261 NE2 GLN A 248 -1.435 -14.218 -5.164 1.00 0.00 N ATOM 0 H GLN A 248 -5.603 -11.419 -5.046 1.00 0.00 H new ATOM 0 HA GLN A 248 -6.123 -14.377 -4.955 1.00 0.00 H new ATOM 0 HB2 GLN A 248 -3.875 -12.980 -5.432 1.00 0.00 H new ATOM 0 HB3 GLN A 248 -3.870 -12.754 -3.695 1.00 0.00 H new ATOM 0 HG2 GLN A 248 -3.338 -14.959 -3.277 1.00 0.00 H new ATOM 0 HG3 GLN A 248 -4.422 -15.559 -4.516 1.00 0.00 H new ATOM 0 HE21 GLN A 248 -1.427 -13.470 -4.470 1.00 0.00 H new ATOM 0 HE22 GLN A 248 -0.638 -14.343 -5.788 1.00 0.00 H new ATOM 1270 N PHE A 249 -6.860 -12.368 -2.623 1.00 0.00 N ATOM 1271 CA PHE A 249 -7.369 -12.292 -1.226 1.00 0.00 C ATOM 1272 C PHE A 249 -8.757 -11.641 -1.167 1.00 0.00 C ATOM 1273 O PHE A 249 -9.444 -11.741 -0.171 1.00 0.00 O ATOM 1274 CB PHE A 249 -6.351 -11.427 -0.486 1.00 0.00 C ATOM 1275 CG PHE A 249 -5.074 -12.208 -0.294 1.00 0.00 C ATOM 1276 CD1 PHE A 249 -4.959 -13.105 0.773 1.00 0.00 C ATOM 1277 CD2 PHE A 249 -4.009 -12.036 -1.184 1.00 0.00 C ATOM 1278 CE1 PHE A 249 -3.776 -13.831 0.952 1.00 0.00 C ATOM 1279 CE2 PHE A 249 -2.825 -12.762 -1.006 1.00 0.00 C ATOM 1280 CZ PHE A 249 -2.708 -13.660 0.062 1.00 0.00 C ATOM 0 H PHE A 249 -7.012 -11.533 -3.188 1.00 0.00 H new ATOM 0 HA PHE A 249 -7.479 -13.284 -0.788 1.00 0.00 H new ATOM 0 HB2 PHE A 249 -6.152 -10.517 -1.051 1.00 0.00 H new ATOM 0 HB3 PHE A 249 -6.752 -11.121 0.480 1.00 0.00 H new ATOM 0 HD1 PHE A 249 -5.783 -13.237 1.459 1.00 0.00 H new ATOM 0 HD2 PHE A 249 -4.100 -11.344 -2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 249 -3.687 -14.523 1.776 1.00 0.00 H new ATOM 0 HE2 PHE A 249 -2.002 -12.629 -1.693 1.00 0.00 H new ATOM 0 HZ PHE A 249 -1.795 -14.220 0.199 1.00 0.00 H new ATOM 1290 N ILE A 250 -9.185 -10.968 -2.205 1.00 0.00 N ATOM 1291 CA ILE A 250 -10.531 -10.328 -2.139 1.00 0.00 C ATOM 1292 C ILE A 250 -11.411 -10.784 -3.307 1.00 0.00 C ATOM 1293 O ILE A 250 -12.623 -10.742 -3.230 1.00 0.00 O ATOM 1294 CB ILE A 250 -10.256 -8.821 -2.193 1.00 0.00 C ATOM 1295 CG1 ILE A 250 -9.911 -8.325 -0.788 1.00 0.00 C ATOM 1296 CG2 ILE A 250 -11.494 -8.077 -2.695 1.00 0.00 C ATOM 1297 CD1 ILE A 250 -8.474 -7.801 -0.771 1.00 0.00 C ATOM 0 H ILE A 250 -8.673 -10.836 -3.077 1.00 0.00 H new ATOM 0 HA ILE A 250 -11.075 -10.603 -1.236 1.00 0.00 H new ATOM 0 HB ILE A 250 -9.425 -8.634 -2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -10.601 -7.536 -0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -10.023 -9.135 -0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -11.287 -7.007 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -11.750 -8.429 -3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -12.329 -8.263 -2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -8.228 -7.447 0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -7.791 -8.603 -1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -8.378 -6.979 -1.480 1.00 0.00 H new ATOM 1309 N ILE A 251 -10.824 -11.219 -4.386 1.00 0.00 N ATOM 1310 CA ILE A 251 -11.651 -11.672 -5.542 1.00 0.00 C ATOM 1311 C ILE A 251 -11.044 -12.939 -6.156 1.00 0.00 C ATOM 1312 O ILE A 251 -10.352 -13.687 -5.496 1.00 0.00 O ATOM 1313 CB ILE A 251 -11.621 -10.517 -6.551 1.00 0.00 C ATOM 1314 CG1 ILE A 251 -11.543 -9.172 -5.819 1.00 0.00 C ATOM 1315 CG2 ILE A 251 -12.897 -10.551 -7.395 1.00 0.00 C ATOM 1316 CD1 ILE A 251 -11.426 -8.041 -6.844 1.00 0.00 C ATOM 0 H ILE A 251 -9.815 -11.281 -4.519 1.00 0.00 H new ATOM 0 HA ILE A 251 -12.671 -11.914 -5.244 1.00 0.00 H new ATOM 0 HB ILE A 251 -10.744 -10.628 -7.189 1.00 0.00 H new ATOM 0 HG12 ILE A 251 -12.431 -9.029 -5.203 1.00 0.00 H new ATOM 0 HG13 ILE A 251 -10.684 -9.160 -5.148 1.00 0.00 H new ATOM 0 HG21 ILE A 251 -12.880 -9.732 -8.114 1.00 0.00 H new ATOM 0 HG22 ILE A 251 -12.955 -11.500 -7.928 1.00 0.00 H new ATOM 0 HG23 ILE A 251 -13.766 -10.446 -6.745 1.00 0.00 H new ATOM 0 HD11 ILE A 251 -11.370 -7.084 -6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 251 -10.525 -8.183 -7.441 1.00 0.00 H new ATOM 0 HD13 ILE A 251 -12.299 -8.050 -7.497 1.00 0.00 H new