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 230 TYR OH : rot -120:sc= -1.33! USER MOD Set 1.2: A 246 CYS SG : rot 150:sc= 0.602 USER MOD Set 2.1: A 185 HIS : no HD1:sc= -3.95! C(o=-9.1!,f=-24!) USER MOD Set 2.2: A 245 TYR OH : rot -139:sc= -5.12! USER MOD Single : A 184 ASN : amide:sc= -0.379 K(o=-0.38,f=-1.2) USER MOD Single : A 210 ASN : amide:sc= -0.105 X(o=-0.1,f=-0.0013) USER MOD Single : A 211 TYR OH : rot 180:sc= 0 USER MOD Single : A 216 LYS NZ :NH3+ 180:sc= -0.0371 (180deg=-0.0371) USER MOD Single : A 225 ASN :FLIP amide:sc= -2.62 F(o=-5.9!,f=-2.6) USER MOD Single : A 226 THR OG1 : rot -87:sc= 0.963! 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 K(o=0,f=-1.4!) USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 ASN : amide:sc= -0.665 K(o=-0.66,f=-2.8!) USER MOD Single : A 247 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 248 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 179 6.153 -1.337 -3.816 1.00 0.00 N ATOM 106 CA ILE A 179 5.501 -2.330 -2.914 1.00 0.00 C ATOM 107 C ILE A 179 6.188 -3.692 -3.050 1.00 0.00 C ATOM 108 O ILE A 179 6.344 -4.211 -4.138 1.00 0.00 O ATOM 109 CB ILE A 179 4.028 -2.377 -3.370 1.00 0.00 C ATOM 110 CG1 ILE A 179 3.129 -2.324 -2.139 1.00 0.00 C ATOM 111 CG2 ILE A 179 3.721 -3.661 -4.153 1.00 0.00 C ATOM 112 CD1 ILE A 179 1.665 -2.408 -2.571 1.00 0.00 C ATOM 0 HA ILE A 179 5.575 -2.059 -1.861 1.00 0.00 H new ATOM 0 HB ILE A 179 3.845 -1.525 -4.025 1.00 0.00 H new ATOM 0 HG12 ILE A 179 3.368 -3.147 -1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 179 3.304 -1.400 -1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 179 2.675 -3.660 -4.458 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.357 -3.709 -5.037 1.00 0.00 H new ATOM 0 HG23 ILE A 179 3.913 -4.528 -3.521 1.00 0.00 H new ATOM 0 HD11 ILE A 179 1.023 -2.370 -1.691 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.431 -1.570 -3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 179 1.496 -3.344 -3.103 1.00 0.00 H new ATOM 124 N ASP A 180 6.593 -4.280 -1.960 1.00 0.00 N ATOM 125 CA ASP A 180 7.258 -5.606 -2.048 1.00 0.00 C ATOM 126 C ASP A 180 6.218 -6.714 -1.914 1.00 0.00 C ATOM 127 O ASP A 180 6.188 -7.645 -2.693 1.00 0.00 O ATOM 128 CB ASP A 180 8.247 -5.647 -0.883 1.00 0.00 C ATOM 129 CG ASP A 180 9.452 -6.509 -1.266 1.00 0.00 C ATOM 130 OD1 ASP A 180 9.355 -7.223 -2.251 1.00 0.00 O ATOM 131 OD2 ASP A 180 10.450 -6.440 -0.568 1.00 0.00 O ATOM 0 H ASP A 180 6.493 -3.902 -1.018 1.00 0.00 H new ATOM 0 HA ASP A 180 7.764 -5.752 -3.002 1.00 0.00 H new ATOM 0 HB2 ASP A 180 8.573 -4.637 -0.634 1.00 0.00 H new ATOM 0 HB3 ASP A 180 7.763 -6.054 0.005 1.00 0.00 H new ATOM 136 N ILE A 181 5.363 -6.621 -0.932 1.00 0.00 N ATOM 137 CA ILE A 181 4.334 -7.682 -0.756 1.00 0.00 C ATOM 138 C ILE A 181 3.162 -7.180 0.097 1.00 0.00 C ATOM 139 O ILE A 181 3.346 -6.546 1.115 1.00 0.00 O ATOM 140 CB ILE A 181 5.065 -8.794 -0.007 1.00 0.00 C ATOM 141 CG1 ILE A 181 6.047 -9.504 -0.937 1.00 0.00 C ATOM 142 CG2 ILE A 181 4.057 -9.815 0.531 1.00 0.00 C ATOM 143 CD1 ILE A 181 6.570 -10.759 -0.240 1.00 0.00 C ATOM 0 H ILE A 181 5.333 -5.863 -0.250 1.00 0.00 H new ATOM 0 HA ILE A 181 3.917 -8.003 -1.710 1.00 0.00 H new ATOM 0 HB ILE A 181 5.613 -8.347 0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 181 5.555 -9.770 -1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 181 6.874 -8.840 -1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 181 4.588 -10.604 1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 181 3.365 -9.319 1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 181 3.500 -10.249 -0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 181 7.272 -11.274 -0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 181 7.075 -10.478 0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 181 5.736 -11.422 -0.010 1.00 0.00 H new ATOM 155 N VAL A 182 1.961 -7.505 -0.295 1.00 0.00 N ATOM 156 CA VAL A 182 0.774 -7.098 0.506 1.00 0.00 C ATOM 157 C VAL A 182 0.533 -8.162 1.582 1.00 0.00 C ATOM 158 O VAL A 182 -0.074 -9.185 1.334 1.00 0.00 O ATOM 159 CB VAL A 182 -0.381 -7.051 -0.496 1.00 0.00 C ATOM 160 CG1 VAL A 182 -1.569 -6.311 0.122 1.00 0.00 C ATOM 161 CG2 VAL A 182 0.076 -6.315 -1.759 1.00 0.00 C ATOM 0 H VAL A 182 1.751 -8.037 -1.139 1.00 0.00 H new ATOM 0 HA VAL A 182 0.892 -6.138 1.009 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.682 -8.067 -0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.390 -6.279 -0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -1.893 -6.832 1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -1.271 -5.294 0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.744 -6.279 -2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 182 0.376 -5.300 -1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.922 -6.842 -2.201 1.00 0.00 H new ATOM 171 N ILE A 183 1.043 -7.944 2.762 1.00 0.00 N ATOM 172 CA ILE A 183 0.890 -8.956 3.849 1.00 0.00 C ATOM 173 C ILE A 183 -0.583 -9.223 4.169 1.00 0.00 C ATOM 174 O ILE A 183 -0.969 -10.339 4.460 1.00 0.00 O ATOM 175 CB ILE A 183 1.589 -8.341 5.063 1.00 0.00 C ATOM 176 CG1 ILE A 183 3.013 -7.941 4.690 1.00 0.00 C ATOM 177 CG2 ILE A 183 1.644 -9.359 6.196 1.00 0.00 C ATOM 178 CD1 ILE A 183 3.670 -9.072 3.893 1.00 0.00 C ATOM 0 H ILE A 183 1.562 -7.105 3.023 1.00 0.00 H new ATOM 0 HA ILE A 183 1.317 -9.916 3.558 1.00 0.00 H new ATOM 0 HB ILE A 183 1.031 -7.462 5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 183 3.002 -7.025 4.100 1.00 0.00 H new ATOM 0 HG13 ILE A 183 3.591 -7.733 5.590 1.00 0.00 H new ATOM 0 HG21 ILE A 183 2.143 -8.917 7.059 1.00 0.00 H new ATOM 0 HG22 ILE A 183 0.631 -9.651 6.473 1.00 0.00 H new ATOM 0 HG23 ILE A 183 2.198 -10.239 5.868 1.00 0.00 H new ATOM 0 HD11 ILE A 183 4.687 -8.786 3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 183 3.695 -9.978 4.499 1.00 0.00 H new ATOM 0 HD13 ILE A 183 3.096 -9.258 2.985 1.00 0.00 H new ATOM 190 N ASN A 184 -1.406 -8.215 4.138 1.00 0.00 N ATOM 191 CA ASN A 184 -2.846 -8.426 4.461 1.00 0.00 C ATOM 192 C ASN A 184 -3.640 -7.143 4.201 1.00 0.00 C ATOM 193 O ASN A 184 -3.144 -6.204 3.611 1.00 0.00 O ATOM 194 CB ASN A 184 -2.863 -8.770 5.951 1.00 0.00 C ATOM 195 CG ASN A 184 -3.449 -10.168 6.150 1.00 0.00 C ATOM 196 OD1 ASN A 184 -4.164 -10.409 7.102 1.00 0.00 O ATOM 197 ND2 ASN A 184 -3.174 -11.106 5.286 1.00 0.00 N ATOM 0 H ASN A 184 -1.147 -7.257 3.904 1.00 0.00 H new ATOM 0 HA ASN A 184 -3.298 -9.208 3.852 1.00 0.00 H new ATOM 0 HB2 ASN A 184 -1.852 -8.728 6.355 1.00 0.00 H new ATOM 0 HB3 ASN A 184 -3.455 -8.036 6.497 1.00 0.00 H new ATOM 0 HD21 ASN A 184 -3.559 -12.042 5.410 1.00 0.00 H new ATOM 0 HD22 ASN A 184 -2.574 -10.903 4.487 1.00 0.00 H new ATOM 204 N HIS A 185 -4.868 -7.094 4.643 1.00 0.00 N ATOM 205 CA HIS A 185 -5.685 -5.868 4.421 1.00 0.00 C ATOM 206 C HIS A 185 -6.950 -5.903 5.288 1.00 0.00 C ATOM 207 O HIS A 185 -7.221 -6.873 5.969 1.00 0.00 O ATOM 208 CB HIS A 185 -6.044 -5.893 2.930 1.00 0.00 C ATOM 209 CG HIS A 185 -7.201 -6.825 2.694 1.00 0.00 C ATOM 210 ND1 HIS A 185 -7.036 -8.189 2.525 1.00 0.00 N ATOM 211 CD2 HIS A 185 -8.549 -6.595 2.596 1.00 0.00 C ATOM 212 CE1 HIS A 185 -8.255 -8.726 2.336 1.00 0.00 C ATOM 213 NE2 HIS A 185 -9.215 -7.797 2.370 1.00 0.00 N ATOM 0 H HIS A 185 -5.338 -7.847 5.146 1.00 0.00 H new ATOM 0 HA HIS A 185 -5.147 -4.960 4.693 1.00 0.00 H new ATOM 0 HB2 HIS A 185 -6.301 -4.889 2.593 1.00 0.00 H new ATOM 0 HB3 HIS A 185 -5.182 -6.215 2.345 1.00 0.00 H new ATOM 0 HD2 HIS A 185 -9.023 -5.628 2.681 1.00 0.00 H new ATOM 0 HE1 HIS A 185 -8.436 -9.779 2.176 1.00 0.00 H new ATOM 0 HE2 HIS A 185 -10.219 -7.938 2.255 1.00 0.00 H new ATOM 221 N ARG A 186 -7.732 -4.858 5.255 1.00 0.00 N ATOM 222 CA ARG A 186 -8.987 -4.835 6.064 1.00 0.00 C ATOM 223 C ARG A 186 -9.645 -3.454 5.986 1.00 0.00 C ATOM 224 O ARG A 186 -9.036 -2.487 5.572 1.00 0.00 O ATOM 225 CB ARG A 186 -8.560 -5.148 7.502 1.00 0.00 C ATOM 226 CG ARG A 186 -7.258 -4.418 7.835 1.00 0.00 C ATOM 227 CD ARG A 186 -7.417 -3.668 9.158 1.00 0.00 C ATOM 228 NE ARG A 186 -6.037 -3.558 9.706 1.00 0.00 N ATOM 229 CZ ARG A 186 -5.822 -3.756 10.978 1.00 0.00 C ATOM 230 NH1 ARG A 186 -6.632 -3.242 11.863 1.00 0.00 N ATOM 231 NH2 ARG A 186 -4.797 -4.464 11.364 1.00 0.00 N ATOM 0 H ARG A 186 -7.557 -4.018 4.703 1.00 0.00 H new ATOM 0 HA ARG A 186 -9.717 -5.557 5.698 1.00 0.00 H new ATOM 0 HB2 ARG A 186 -9.344 -4.845 8.196 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -8.425 -6.223 7.624 1.00 0.00 H new ATOM 0 HG2 ARG A 186 -6.437 -5.131 7.906 1.00 0.00 H new ATOM 0 HG3 ARG A 186 -7.006 -3.720 7.037 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -7.860 -2.684 9.003 1.00 0.00 H new ATOM 0 HD3 ARG A 186 -8.072 -4.208 9.842 1.00 0.00 H new ATOM 0 HE ARG A 186 -5.259 -3.328 9.087 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -7.432 -2.686 11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -6.465 -3.396 12.857 1.00 0.00 H new ATOM 0 HH21 ARG A 186 -4.163 -4.863 10.672 1.00 0.00 H new ATOM 0 HH22 ARG A 186 -4.629 -4.619 12.358 1.00 0.00 H new ATOM 612 N ASN A 210 -13.202 1.444 0.283 1.00 0.00 N ATOM 613 CA ASN A 210 -13.239 1.454 1.775 1.00 0.00 C ATOM 614 C ASN A 210 -12.422 0.295 2.349 1.00 0.00 C ATOM 615 O ASN A 210 -12.947 -0.574 3.014 1.00 0.00 O ATOM 616 CB ASN A 210 -14.716 1.291 2.134 1.00 0.00 C ATOM 617 CG ASN A 210 -15.432 2.630 1.960 1.00 0.00 C ATOM 618 OD1 ASN A 210 -16.415 2.718 1.252 1.00 0.00 O ATOM 619 ND2 ASN A 210 -14.976 3.684 2.579 1.00 0.00 N ATOM 0 HA ASN A 210 -12.811 2.369 2.184 1.00 0.00 H new ATOM 0 HB2 ASN A 210 -15.175 0.535 1.497 1.00 0.00 H new ATOM 0 HB3 ASN A 210 -14.815 0.944 3.162 1.00 0.00 H new ATOM 0 HD21 ASN A 210 -15.445 4.583 2.469 1.00 0.00 H new ATOM 0 HD22 ASN A 210 -14.150 3.609 3.173 1.00 0.00 H new ATOM 626 N TYR A 211 -11.141 0.272 2.102 1.00 0.00 N ATOM 627 CA TYR A 211 -10.306 -0.838 2.648 1.00 0.00 C ATOM 628 C TYR A 211 -8.834 -0.434 2.731 1.00 0.00 C ATOM 629 O TYR A 211 -8.335 0.320 1.920 1.00 0.00 O ATOM 630 CB TYR A 211 -10.468 -1.980 1.653 1.00 0.00 C ATOM 631 CG TYR A 211 -11.428 -3.006 2.206 1.00 0.00 C ATOM 632 CD1 TYR A 211 -10.954 -4.037 3.024 1.00 0.00 C ATOM 633 CD2 TYR A 211 -12.790 -2.927 1.895 1.00 0.00 C ATOM 634 CE1 TYR A 211 -11.844 -4.990 3.535 1.00 0.00 C ATOM 635 CE2 TYR A 211 -13.679 -3.880 2.405 1.00 0.00 C ATOM 636 CZ TYR A 211 -13.206 -4.911 3.225 1.00 0.00 C ATOM 637 OH TYR A 211 -14.082 -5.850 3.728 1.00 0.00 O ATOM 0 H TYR A 211 -10.638 0.967 1.550 1.00 0.00 H new ATOM 0 HA TYR A 211 -10.617 -1.108 3.657 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -10.839 -1.597 0.702 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -9.501 -2.442 1.455 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -9.902 -4.098 3.261 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -13.155 -2.132 1.262 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -11.479 -5.785 4.168 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -14.730 -3.820 2.166 1.00 0.00 H new ATOM 0 HH TYR A 211 -14.990 -5.650 3.418 1.00 0.00 H new ATOM 647 N GLU A 212 -8.134 -0.960 3.696 1.00 0.00 N ATOM 648 CA GLU A 212 -6.685 -0.649 3.832 1.00 0.00 C ATOM 649 C GLU A 212 -5.884 -1.875 3.392 1.00 0.00 C ATOM 650 O GLU A 212 -6.450 -2.879 3.012 1.00 0.00 O ATOM 651 CB GLU A 212 -6.473 -0.370 5.320 1.00 0.00 C ATOM 652 CG GLU A 212 -5.864 1.021 5.501 1.00 0.00 C ATOM 653 CD GLU A 212 -5.553 1.255 6.981 1.00 0.00 C ATOM 654 OE1 GLU A 212 -6.229 0.665 7.808 1.00 0.00 O ATOM 655 OE2 GLU A 212 -4.645 2.019 7.262 1.00 0.00 O ATOM 0 H GLU A 212 -8.506 -1.596 4.401 1.00 0.00 H new ATOM 0 HA GLU A 212 -6.367 0.198 3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -7.423 -0.434 5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -5.815 -1.125 5.751 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -4.953 1.110 4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -6.555 1.782 5.139 1.00 0.00 H new ATOM 662 N PHE A 213 -4.585 -1.814 3.434 1.00 0.00 N ATOM 663 CA PHE A 213 -3.784 -2.997 3.008 1.00 0.00 C ATOM 664 C PHE A 213 -2.405 -2.981 3.664 1.00 0.00 C ATOM 665 O PHE A 213 -1.663 -2.027 3.536 1.00 0.00 O ATOM 666 CB PHE A 213 -3.629 -2.848 1.494 1.00 0.00 C ATOM 667 CG PHE A 213 -4.951 -3.092 0.812 1.00 0.00 C ATOM 668 CD1 PHE A 213 -5.364 -4.399 0.538 1.00 0.00 C ATOM 669 CD2 PHE A 213 -5.759 -2.009 0.444 1.00 0.00 C ATOM 670 CE1 PHE A 213 -6.586 -4.627 -0.102 1.00 0.00 C ATOM 671 CE2 PHE A 213 -6.982 -2.237 -0.198 1.00 0.00 C ATOM 672 CZ PHE A 213 -7.395 -3.546 -0.471 1.00 0.00 C ATOM 0 H PHE A 213 -4.045 -1.005 3.741 1.00 0.00 H new ATOM 0 HA PHE A 213 -4.268 -3.931 3.293 1.00 0.00 H new ATOM 0 HB2 PHE A 213 -3.266 -1.848 1.254 1.00 0.00 H new ATOM 0 HB3 PHE A 213 -2.885 -3.554 1.125 1.00 0.00 H new ATOM 0 HD1 PHE A 213 -4.739 -5.233 0.821 1.00 0.00 H new ATOM 0 HD2 PHE A 213 -5.439 -0.999 0.655 1.00 0.00 H new ATOM 0 HE1 PHE A 213 -6.906 -5.637 -0.312 1.00 0.00 H new ATOM 0 HE2 PHE A 213 -7.607 -1.403 -0.482 1.00 0.00 H new ATOM 0 HZ PHE A 213 -8.338 -3.722 -0.967 1.00 0.00 H new ATOM 682 N LEU A 214 -2.033 -4.033 4.339 1.00 0.00 N ATOM 683 CA LEU A 214 -0.678 -4.051 4.956 1.00 0.00 C ATOM 684 C LEU A 214 0.342 -4.163 3.836 1.00 0.00 C ATOM 685 O LEU A 214 0.429 -5.165 3.157 1.00 0.00 O ATOM 686 CB LEU A 214 -0.637 -5.289 5.852 1.00 0.00 C ATOM 687 CG LEU A 214 0.580 -5.251 6.793 1.00 0.00 C ATOM 688 CD1 LEU A 214 0.880 -3.823 7.256 1.00 0.00 C ATOM 689 CD2 LEU A 214 0.283 -6.125 8.010 1.00 0.00 C ATOM 0 H LEU A 214 -2.598 -4.869 4.489 1.00 0.00 H new ATOM 0 HA LEU A 214 -0.460 -3.155 5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 214 -1.553 -5.347 6.439 1.00 0.00 H new ATOM 0 HB3 LEU A 214 -0.596 -6.187 5.235 1.00 0.00 H new ATOM 0 HG LEU A 214 1.452 -5.622 6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 214 1.745 -3.830 7.919 1.00 0.00 H new ATOM 0 HD12 LEU A 214 1.092 -3.197 6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 214 0.017 -3.425 7.789 1.00 0.00 H new ATOM 0 HD21 LEU A 214 1.137 -6.108 8.687 1.00 0.00 H new ATOM 0 HD22 LEU A 214 -0.597 -5.742 8.527 1.00 0.00 H new ATOM 0 HD23 LEU A 214 0.097 -7.149 7.686 1.00 0.00 H new ATOM 701 N ILE A 215 1.082 -3.128 3.609 1.00 0.00 N ATOM 702 CA ILE A 215 2.059 -3.162 2.500 1.00 0.00 C ATOM 703 C ILE A 215 3.466 -3.507 2.987 1.00 0.00 C ATOM 704 O ILE A 215 4.123 -2.708 3.620 1.00 0.00 O ATOM 705 CB ILE A 215 2.045 -1.749 1.942 1.00 0.00 C ATOM 706 CG1 ILE A 215 0.604 -1.286 1.706 1.00 0.00 C ATOM 707 CG2 ILE A 215 2.818 -1.733 0.631 1.00 0.00 C ATOM 708 CD1 ILE A 215 -0.161 -2.347 0.918 1.00 0.00 C ATOM 0 H ILE A 215 1.054 -2.259 4.142 1.00 0.00 H new ATOM 0 HA ILE A 215 1.797 -3.923 1.766 1.00 0.00 H new ATOM 0 HB ILE A 215 2.511 -1.070 2.655 1.00 0.00 H new ATOM 0 HG12 ILE A 215 0.111 -1.104 2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.601 -0.343 1.160 1.00 0.00 H new ATOM 0 HG21 ILE A 215 2.816 -0.724 0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 215 3.846 -2.049 0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 215 2.347 -2.415 -0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -1.185 -2.011 0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.326 -2.508 -0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.171 -3.281 1.480 1.00 0.00 H new ATOM 720 N LYS A 216 3.948 -4.675 2.667 1.00 0.00 N ATOM 721 CA LYS A 216 5.334 -5.032 3.081 1.00 0.00 C ATOM 722 C LYS A 216 6.326 -4.293 2.175 1.00 0.00 C ATOM 723 O LYS A 216 6.632 -4.738 1.086 1.00 0.00 O ATOM 724 CB LYS A 216 5.457 -6.543 2.877 1.00 0.00 C ATOM 725 CG LYS A 216 6.843 -7.006 3.330 1.00 0.00 C ATOM 726 CD LYS A 216 7.669 -7.419 2.112 1.00 0.00 C ATOM 727 CE LYS A 216 8.075 -8.889 2.241 1.00 0.00 C ATOM 728 NZ LYS A 216 9.189 -9.068 1.269 1.00 0.00 N ATOM 0 H LYS A 216 3.448 -5.392 2.142 1.00 0.00 H new ATOM 0 HA LYS A 216 5.543 -4.757 4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 216 4.685 -7.062 3.445 1.00 0.00 H new ATOM 0 HB3 LYS A 216 5.303 -6.793 1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 216 7.347 -6.204 3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 216 6.750 -7.844 4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 216 7.091 -7.270 1.200 1.00 0.00 H new ATOM 0 HD3 LYS A 216 8.557 -6.792 2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 216 8.396 -9.122 3.256 1.00 0.00 H new ATOM 0 HE3 LYS A 216 7.240 -9.551 2.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 216 9.521 -10.053 1.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 216 8.852 -8.846 0.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 216 9.972 -8.431 1.517 1.00 0.00 H new ATOM 742 N TRP A 217 6.818 -3.161 2.597 1.00 0.00 N ATOM 743 CA TRP A 217 7.774 -2.405 1.734 1.00 0.00 C ATOM 744 C TRP A 217 9.177 -3.007 1.847 1.00 0.00 C ATOM 745 O TRP A 217 9.424 -3.886 2.651 1.00 0.00 O ATOM 746 CB TRP A 217 7.756 -0.972 2.268 1.00 0.00 C ATOM 747 CG TRP A 217 6.349 -0.469 2.306 1.00 0.00 C ATOM 748 CD1 TRP A 217 5.516 -0.587 3.364 1.00 0.00 C ATOM 749 CD2 TRP A 217 5.593 0.222 1.266 1.00 0.00 C ATOM 750 NE1 TRP A 217 4.305 -0.001 3.048 1.00 0.00 N ATOM 751 CE2 TRP A 217 4.299 0.506 1.763 1.00 0.00 C ATOM 752 CE3 TRP A 217 5.902 0.627 -0.046 1.00 0.00 C ATOM 753 CZ2 TRP A 217 3.342 1.166 0.986 1.00 0.00 C ATOM 754 CZ3 TRP A 217 4.943 1.292 -0.830 1.00 0.00 C ATOM 755 CH2 TRP A 217 3.667 1.559 -0.316 1.00 0.00 C ATOM 0 H TRP A 217 6.603 -2.728 3.495 1.00 0.00 H new ATOM 0 HA TRP A 217 7.496 -2.444 0.681 1.00 0.00 H new ATOM 0 HB2 TRP A 217 8.192 -0.940 3.267 1.00 0.00 H new ATOM 0 HB3 TRP A 217 8.366 -0.329 1.633 1.00 0.00 H new ATOM 0 HD1 TRP A 217 5.758 -1.062 4.303 1.00 0.00 H new ATOM 0 HE1 TRP A 217 3.511 0.051 3.687 1.00 0.00 H new ATOM 0 HE3 TRP A 217 6.882 0.426 -0.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 217 2.361 1.370 1.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 217 5.191 1.599 -1.835 1.00 0.00 H new ATOM 0 HH2 TRP A 217 2.935 2.068 -0.925 1.00 0.00 H new ATOM 871 N ASN A 225 6.774 -3.762 7.271 1.00 0.00 N ATOM 872 CA ASN A 225 5.412 -3.640 6.677 1.00 0.00 C ATOM 873 C ASN A 225 4.650 -2.482 7.317 1.00 0.00 C ATOM 874 O ASN A 225 4.978 -2.018 8.392 1.00 0.00 O ATOM 875 CB ASN A 225 4.718 -4.968 6.988 1.00 0.00 C ATOM 876 CG ASN A 225 5.686 -6.129 6.744 1.00 0.00 C ATOM 877 OD1 ASN A 225 6.699 -5.961 5.940 1.00 0.00 O flip ATOM 878 ND2 ASN A 225 5.518 -7.200 7.293 1.00 0.00 N flip ATOM 0 HA ASN A 225 5.453 -3.439 5.606 1.00 0.00 H new ATOM 0 HB2 ASN A 225 4.378 -4.977 8.024 1.00 0.00 H new ATOM 0 HB3 ASN A 225 3.834 -5.082 6.361 1.00 0.00 H new ATOM 0 HD21 ASN A 225 4.726 -7.332 7.922 1.00 0.00 H new ATOM 0 HD22 ASN A 225 6.169 -7.967 7.125 1.00 0.00 H new ATOM 885 N THR A 226 3.627 -2.022 6.660 1.00 0.00 N ATOM 886 CA THR A 226 2.815 -0.905 7.205 1.00 0.00 C ATOM 887 C THR A 226 1.417 -0.982 6.604 1.00 0.00 C ATOM 888 O THR A 226 1.198 -1.656 5.618 1.00 0.00 O ATOM 889 CB THR A 226 3.526 0.374 6.759 1.00 0.00 C ATOM 890 OG1 THR A 226 3.640 0.379 5.343 1.00 0.00 O ATOM 891 CG2 THR A 226 4.920 0.437 7.385 1.00 0.00 C ATOM 0 H THR A 226 3.315 -2.377 5.756 1.00 0.00 H new ATOM 0 HA THR A 226 2.718 -0.939 8.290 1.00 0.00 H new ATOM 0 HB THR A 226 2.949 1.240 7.083 1.00 0.00 H new ATOM 0 HG1 THR A 226 4.459 -0.090 5.079 1.00 0.00 H new ATOM 0 HG21 THR A 226 5.422 1.350 7.064 1.00 0.00 H new ATOM 0 HG22 THR A 226 4.831 0.434 8.471 1.00 0.00 H new ATOM 0 HG23 THR A 226 5.501 -0.428 7.066 1.00 0.00 H new ATOM 899 N TRP A 227 0.467 -0.317 7.183 1.00 0.00 N ATOM 900 CA TRP A 227 -0.907 -0.387 6.625 1.00 0.00 C ATOM 901 C TRP A 227 -1.226 0.868 5.816 1.00 0.00 C ATOM 902 O TRP A 227 -1.521 1.915 6.357 1.00 0.00 O ATOM 903 CB TRP A 227 -1.809 -0.518 7.845 1.00 0.00 C ATOM 904 CG TRP A 227 -1.790 -1.943 8.284 1.00 0.00 C ATOM 905 CD1 TRP A 227 -0.862 -2.498 9.100 1.00 0.00 C ATOM 906 CD2 TRP A 227 -2.706 -3.013 7.920 1.00 0.00 C ATOM 907 NE1 TRP A 227 -1.159 -3.838 9.266 1.00 0.00 N ATOM 908 CE2 TRP A 227 -2.289 -4.201 8.560 1.00 0.00 C ATOM 909 CE3 TRP A 227 -3.852 -3.062 7.108 1.00 0.00 C ATOM 910 CZ2 TRP A 227 -2.983 -5.397 8.397 1.00 0.00 C ATOM 911 CZ3 TRP A 227 -4.549 -4.268 6.943 1.00 0.00 C ATOM 912 CH2 TRP A 227 -4.114 -5.431 7.588 1.00 0.00 C ATOM 0 H TRP A 227 0.578 0.268 8.011 1.00 0.00 H new ATOM 0 HA TRP A 227 -1.039 -1.221 5.936 1.00 0.00 H new ATOM 0 HB2 TRP A 227 -1.461 0.132 8.647 1.00 0.00 H new ATOM 0 HB3 TRP A 227 -2.825 -0.208 7.602 1.00 0.00 H new ATOM 0 HD1 TRP A 227 -0.027 -1.979 9.547 1.00 0.00 H new ATOM 0 HE1 TRP A 227 -0.611 -4.479 9.839 1.00 0.00 H new ATOM 0 HE3 TRP A 227 -4.197 -2.168 6.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 227 -2.645 -6.293 8.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 227 -5.427 -4.299 6.314 1.00 0.00 H new ATOM 0 HH2 TRP A 227 -4.657 -6.356 7.458 1.00 0.00 H new ATOM 923 N GLU A 228 -1.164 0.763 4.517 1.00 0.00 N ATOM 924 CA GLU A 228 -1.458 1.940 3.655 1.00 0.00 C ATOM 925 C GLU A 228 -2.812 1.769 2.969 1.00 0.00 C ATOM 926 O GLU A 228 -3.548 0.840 3.239 1.00 0.00 O ATOM 927 CB GLU A 228 -0.339 1.964 2.613 1.00 0.00 C ATOM 928 CG GLU A 228 1.019 1.985 3.315 1.00 0.00 C ATOM 929 CD GLU A 228 1.842 3.166 2.800 1.00 0.00 C ATOM 930 OE1 GLU A 228 1.583 3.606 1.693 1.00 0.00 O ATOM 931 OE2 GLU A 228 2.721 3.610 3.522 1.00 0.00 O ATOM 0 H GLU A 228 -0.921 -0.091 4.015 1.00 0.00 H new ATOM 0 HA GLU A 228 -1.503 2.865 4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 228 -0.412 1.089 1.967 1.00 0.00 H new ATOM 0 HB3 GLU A 228 -0.443 2.841 1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 228 0.882 2.067 4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 228 1.550 1.051 3.131 1.00 0.00 H new ATOM 938 N THR A 229 -3.136 2.655 2.074 1.00 0.00 N ATOM 939 CA THR A 229 -4.428 2.556 1.347 1.00 0.00 C ATOM 940 C THR A 229 -4.199 2.939 -0.110 1.00 0.00 C ATOM 941 O THR A 229 -3.253 3.628 -0.431 1.00 0.00 O ATOM 942 CB THR A 229 -5.349 3.560 2.034 1.00 0.00 C ATOM 943 OG1 THR A 229 -4.696 4.819 2.119 1.00 0.00 O ATOM 944 CG2 THR A 229 -5.683 3.057 3.436 1.00 0.00 C ATOM 0 H THR A 229 -2.555 3.452 1.812 1.00 0.00 H new ATOM 0 HA THR A 229 -4.856 1.554 1.364 1.00 0.00 H new ATOM 0 HB THR A 229 -6.268 3.670 1.459 1.00 0.00 H new ATOM 0 HG1 THR A 229 -5.287 5.465 2.559 1.00 0.00 H new ATOM 0 HG21 THR A 229 -6.341 3.771 3.932 1.00 0.00 H new ATOM 0 HG22 THR A 229 -6.183 2.091 3.366 1.00 0.00 H new ATOM 0 HG23 THR A 229 -4.764 2.950 4.013 1.00 0.00 H new ATOM 952 N TYR A 230 -5.037 2.499 -0.999 1.00 0.00 N ATOM 953 CA TYR A 230 -4.824 2.847 -2.428 1.00 0.00 C ATOM 954 C TYR A 230 -4.494 4.335 -2.564 1.00 0.00 C ATOM 955 O TYR A 230 -3.662 4.729 -3.356 1.00 0.00 O ATOM 956 CB TYR A 230 -6.149 2.536 -3.128 1.00 0.00 C ATOM 957 CG TYR A 230 -6.186 1.091 -3.561 1.00 0.00 C ATOM 958 CD1 TYR A 230 -5.872 0.075 -2.652 1.00 0.00 C ATOM 959 CD2 TYR A 230 -6.549 0.768 -4.874 1.00 0.00 C ATOM 960 CE1 TYR A 230 -5.920 -1.264 -3.057 1.00 0.00 C ATOM 961 CE2 TYR A 230 -6.594 -0.570 -5.280 1.00 0.00 C ATOM 962 CZ TYR A 230 -6.280 -1.587 -4.370 1.00 0.00 C ATOM 963 OH TYR A 230 -6.329 -2.906 -4.769 1.00 0.00 O ATOM 0 H TYR A 230 -5.853 1.919 -0.803 1.00 0.00 H new ATOM 0 HA TYR A 230 -3.995 2.288 -2.862 1.00 0.00 H new ATOM 0 HB2 TYR A 230 -6.981 2.742 -2.455 1.00 0.00 H new ATOM 0 HB3 TYR A 230 -6.272 3.186 -3.995 1.00 0.00 H new ATOM 0 HD1 TYR A 230 -5.593 0.324 -1.639 1.00 0.00 H new ATOM 0 HD2 TYR A 230 -6.795 1.553 -5.574 1.00 0.00 H new ATOM 0 HE1 TYR A 230 -5.679 -2.049 -2.355 1.00 0.00 H new ATOM 0 HE2 TYR A 230 -6.871 -0.818 -6.294 1.00 0.00 H new ATOM 0 HH TYR A 230 -5.701 -3.048 -5.508 1.00 0.00 H new ATOM 973 N GLU A 231 -5.142 5.160 -1.793 1.00 0.00 N ATOM 974 CA GLU A 231 -4.875 6.625 -1.868 1.00 0.00 C ATOM 975 C GLU A 231 -3.445 6.928 -1.412 1.00 0.00 C ATOM 976 O GLU A 231 -2.971 8.042 -1.519 1.00 0.00 O ATOM 977 CB GLU A 231 -5.886 7.256 -0.909 1.00 0.00 C ATOM 978 CG GLU A 231 -6.998 7.936 -1.710 1.00 0.00 C ATOM 979 CD GLU A 231 -7.316 9.298 -1.091 1.00 0.00 C ATOM 980 OE1 GLU A 231 -6.397 9.931 -0.596 1.00 0.00 O ATOM 981 OE2 GLU A 231 -8.472 9.686 -1.121 1.00 0.00 O ATOM 0 H GLU A 231 -5.848 4.884 -1.111 1.00 0.00 H new ATOM 0 HA GLU A 231 -4.973 7.012 -2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -6.309 6.492 -0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.389 7.984 -0.268 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -6.689 8.060 -2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -7.891 7.310 -1.716 1.00 0.00 H new ATOM 988 N SER A 232 -2.755 5.946 -0.899 1.00 0.00 N ATOM 989 CA SER A 232 -1.359 6.181 -0.433 1.00 0.00 C ATOM 990 C SER A 232 -0.404 5.164 -1.066 1.00 0.00 C ATOM 991 O SER A 232 0.801 5.303 -0.990 1.00 0.00 O ATOM 992 CB SER A 232 -1.414 5.992 1.082 1.00 0.00 C ATOM 993 OG SER A 232 -2.092 7.095 1.668 1.00 0.00 O ATOM 0 H SER A 232 -3.097 4.992 -0.783 1.00 0.00 H new ATOM 0 HA SER A 232 -0.994 7.170 -0.711 1.00 0.00 H new ATOM 0 HB2 SER A 232 -1.929 5.063 1.326 1.00 0.00 H new ATOM 0 HB3 SER A 232 -0.405 5.913 1.487 1.00 0.00 H new ATOM 0 HG SER A 232 -2.131 6.976 2.640 1.00 0.00 H new ATOM 999 N ILE A 233 -0.928 4.143 -1.689 1.00 0.00 N ATOM 1000 CA ILE A 233 -0.040 3.122 -2.320 1.00 0.00 C ATOM 1001 C ILE A 233 -0.449 2.913 -3.786 1.00 0.00 C ATOM 1002 O ILE A 233 0.015 2.005 -4.448 1.00 0.00 O ATOM 1003 CB ILE A 233 -0.189 1.822 -1.475 1.00 0.00 C ATOM 1004 CG1 ILE A 233 -0.487 0.612 -2.369 1.00 0.00 C ATOM 1005 CG2 ILE A 233 -1.310 1.946 -0.436 1.00 0.00 C ATOM 1006 CD1 ILE A 233 -0.757 -0.609 -1.491 1.00 0.00 C ATOM 0 H ILE A 233 -1.928 3.971 -1.789 1.00 0.00 H new ATOM 0 HA ILE A 233 1.004 3.435 -2.332 1.00 0.00 H new ATOM 0 HB ILE A 233 0.762 1.677 -0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 233 -1.350 0.817 -3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 233 0.356 0.418 -3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 233 -1.383 1.019 0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 233 -1.089 2.771 0.241 1.00 0.00 H new ATOM 0 HG23 ILE A 233 -2.256 2.136 -0.943 1.00 0.00 H new ATOM 0 HD11 ILE A 233 -0.969 -1.472 -2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 233 0.119 -0.816 -0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 233 -1.614 -0.412 -0.847 1.00 0.00 H new ATOM 1018 N GLY A 234 -1.306 3.751 -4.301 1.00 0.00 N ATOM 1019 CA GLY A 234 -1.734 3.597 -5.720 1.00 0.00 C ATOM 1020 C GLY A 234 -0.860 4.471 -6.622 1.00 0.00 C ATOM 1021 O GLY A 234 -1.343 5.360 -7.296 1.00 0.00 O ATOM 0 H GLY A 234 -1.728 4.534 -3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 234 -1.655 2.553 -6.022 1.00 0.00 H new ATOM 0 HA3 GLY A 234 -2.781 3.881 -5.827 1.00 0.00 H new ATOM 1025 N GLN A 235 0.423 4.225 -6.645 1.00 0.00 N ATOM 1026 CA GLN A 235 1.323 5.044 -7.509 1.00 0.00 C ATOM 1027 C GLN A 235 2.786 4.638 -7.296 1.00 0.00 C ATOM 1028 O GLN A 235 3.684 5.453 -7.369 1.00 0.00 O ATOM 1029 CB GLN A 235 1.099 6.488 -7.060 1.00 0.00 C ATOM 1030 CG GLN A 235 1.104 6.554 -5.532 1.00 0.00 C ATOM 1031 CD GLN A 235 0.881 7.998 -5.082 1.00 0.00 C ATOM 1032 OE1 GLN A 235 0.415 8.820 -5.846 1.00 0.00 O ATOM 1033 NE2 GLN A 235 1.193 8.344 -3.863 1.00 0.00 N ATOM 0 H GLN A 235 0.886 3.494 -6.104 1.00 0.00 H new ATOM 0 HA GLN A 235 1.109 4.907 -8.569 1.00 0.00 H new ATOM 0 HB2 GLN A 235 1.880 7.131 -7.465 1.00 0.00 H new ATOM 0 HB3 GLN A 235 0.149 6.857 -7.447 1.00 0.00 H new ATOM 0 HG2 GLN A 235 0.322 5.911 -5.127 1.00 0.00 H new ATOM 0 HG3 GLN A 235 2.053 6.184 -5.145 1.00 0.00 H new ATOM 0 HE21 GLN A 235 1.584 7.654 -3.221 1.00 0.00 H new ATOM 0 HE22 GLN A 235 1.046 9.304 -3.552 1.00 0.00 H new ATOM 1042 N VAL A 236 3.031 3.383 -7.037 1.00 0.00 N ATOM 1043 CA VAL A 236 4.434 2.919 -6.821 1.00 0.00 C ATOM 1044 C VAL A 236 4.520 1.412 -7.063 1.00 0.00 C ATOM 1045 O VAL A 236 5.177 0.694 -6.337 1.00 0.00 O ATOM 1046 CB VAL A 236 4.735 3.239 -5.357 1.00 0.00 C ATOM 1047 CG1 VAL A 236 4.835 4.752 -5.171 1.00 0.00 C ATOM 1048 CG2 VAL A 236 3.609 2.692 -4.477 1.00 0.00 C ATOM 0 H VAL A 236 2.319 2.656 -6.965 1.00 0.00 H new ATOM 0 HA VAL A 236 5.142 3.399 -7.496 1.00 0.00 H new ATOM 0 HB VAL A 236 5.680 2.777 -5.073 1.00 0.00 H new ATOM 0 HG11 VAL A 236 5.050 4.977 -4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 236 5.636 5.144 -5.798 1.00 0.00 H new ATOM 0 HG13 VAL A 236 3.891 5.217 -5.456 1.00 0.00 H new ATOM 0 HG21 VAL A 236 3.821 2.919 -3.432 1.00 0.00 H new ATOM 0 HG22 VAL A 236 2.665 3.155 -4.764 1.00 0.00 H new ATOM 0 HG23 VAL A 236 3.538 1.612 -4.607 1.00 0.00 H new ATOM 1058 N ARG A 237 3.837 0.925 -8.068 1.00 0.00 N ATOM 1059 CA ARG A 237 3.849 -0.542 -8.354 1.00 0.00 C ATOM 1060 C ARG A 237 3.020 -1.282 -7.296 1.00 0.00 C ATOM 1061 O ARG A 237 2.856 -2.490 -7.345 1.00 0.00 O ATOM 1062 CB ARG A 237 5.319 -0.964 -8.286 1.00 0.00 C ATOM 1063 CG ARG A 237 5.549 -2.165 -9.206 1.00 0.00 C ATOM 1064 CD ARG A 237 6.460 -1.755 -10.366 1.00 0.00 C ATOM 1065 NE ARG A 237 5.626 -1.929 -11.588 1.00 0.00 N ATOM 1066 CZ ARG A 237 6.065 -1.513 -12.745 1.00 0.00 C ATOM 1067 NH1 ARG A 237 7.315 -1.161 -12.882 1.00 0.00 N ATOM 1068 NH2 ARG A 237 5.255 -1.449 -13.766 1.00 0.00 N ATOM 0 H ARG A 237 3.269 1.483 -8.706 1.00 0.00 H new ATOM 0 HA ARG A 237 3.416 -0.777 -9.326 1.00 0.00 H new ATOM 0 HB2 ARG A 237 5.960 -0.135 -8.585 1.00 0.00 H new ATOM 0 HB3 ARG A 237 5.588 -1.221 -7.261 1.00 0.00 H new ATOM 0 HG2 ARG A 237 6.002 -2.983 -8.646 1.00 0.00 H new ATOM 0 HG3 ARG A 237 4.596 -2.530 -9.590 1.00 0.00 H new ATOM 0 HD2 ARG A 237 6.795 -0.723 -10.260 1.00 0.00 H new ATOM 0 HD3 ARG A 237 7.354 -2.378 -10.406 1.00 0.00 H new ATOM 0 HE ARG A 237 4.711 -2.374 -11.521 1.00 0.00 H new ATOM 0 HH11 ARG A 237 7.949 -1.211 -12.085 1.00 0.00 H new ATOM 0 HH12 ARG A 237 7.657 -0.836 -13.786 1.00 0.00 H new ATOM 0 HH21 ARG A 237 4.278 -1.724 -13.660 1.00 0.00 H new ATOM 0 HH22 ARG A 237 5.598 -1.124 -14.670 1.00 0.00 H new ATOM 1082 N GLY A 238 2.486 -0.562 -6.344 1.00 0.00 N ATOM 1083 CA GLY A 238 1.665 -1.207 -5.290 1.00 0.00 C ATOM 1084 C GLY A 238 0.399 -1.769 -5.922 1.00 0.00 C ATOM 1085 O GLY A 238 0.133 -2.949 -5.855 1.00 0.00 O ATOM 0 H GLY A 238 2.587 0.449 -6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 238 2.231 -2.004 -4.807 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.410 -0.483 -4.516 1.00 0.00 H new ATOM 1089 N LEU A 239 -0.383 -0.933 -6.541 1.00 0.00 N ATOM 1090 CA LEU A 239 -1.631 -1.425 -7.180 1.00 0.00 C ATOM 1091 C LEU A 239 -1.355 -2.723 -7.937 1.00 0.00 C ATOM 1092 O LEU A 239 -2.200 -3.585 -8.027 1.00 0.00 O ATOM 1093 CB LEU A 239 -2.052 -0.310 -8.138 1.00 0.00 C ATOM 1094 CG LEU A 239 -2.782 0.783 -7.358 1.00 0.00 C ATOM 1095 CD1 LEU A 239 -2.651 2.113 -8.100 1.00 0.00 C ATOM 1096 CD2 LEU A 239 -4.263 0.414 -7.229 1.00 0.00 C ATOM 0 H LEU A 239 -0.212 0.068 -6.632 1.00 0.00 H new ATOM 0 HA LEU A 239 -2.413 -1.646 -6.454 1.00 0.00 H new ATOM 0 HB2 LEU A 239 -1.176 0.107 -8.636 1.00 0.00 H new ATOM 0 HB3 LEU A 239 -2.701 -0.711 -8.917 1.00 0.00 H new ATOM 0 HG LEU A 239 -2.342 0.877 -6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 239 -3.172 2.893 -7.544 1.00 0.00 H new ATOM 0 HD12 LEU A 239 -1.597 2.376 -8.193 1.00 0.00 H new ATOM 0 HD13 LEU A 239 -3.091 2.020 -9.093 1.00 0.00 H new ATOM 0 HD21 LEU A 239 -4.785 1.193 -6.673 1.00 0.00 H new ATOM 0 HD22 LEU A 239 -4.703 0.321 -8.222 1.00 0.00 H new ATOM 0 HD23 LEU A 239 -4.357 -0.534 -6.700 1.00 0.00 H new ATOM 1108 N LYS A 240 -0.176 -2.878 -8.473 1.00 0.00 N ATOM 1109 CA LYS A 240 0.136 -4.134 -9.210 1.00 0.00 C ATOM 1110 C LYS A 240 0.150 -5.310 -8.238 1.00 0.00 C ATOM 1111 O LYS A 240 -0.635 -6.231 -8.351 1.00 0.00 O ATOM 1112 CB LYS A 240 1.524 -3.920 -9.807 1.00 0.00 C ATOM 1113 CG LYS A 240 1.994 -5.207 -10.488 1.00 0.00 C ATOM 1114 CD LYS A 240 1.313 -5.343 -11.852 1.00 0.00 C ATOM 1115 CE LYS A 240 2.337 -5.801 -12.893 1.00 0.00 C ATOM 1116 NZ LYS A 240 1.643 -5.662 -14.203 1.00 0.00 N ATOM 0 H LYS A 240 0.580 -2.194 -8.433 1.00 0.00 H new ATOM 0 HA LYS A 240 -0.602 -4.355 -9.981 1.00 0.00 H new ATOM 0 HB2 LYS A 240 1.499 -3.103 -10.528 1.00 0.00 H new ATOM 0 HB3 LYS A 240 2.227 -3.633 -9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 240 3.077 -5.191 -10.611 1.00 0.00 H new ATOM 0 HG3 LYS A 240 1.756 -6.069 -9.864 1.00 0.00 H new ATOM 0 HD2 LYS A 240 0.495 -6.061 -11.791 1.00 0.00 H new ATOM 0 HD3 LYS A 240 0.878 -4.389 -12.150 1.00 0.00 H new ATOM 0 HE2 LYS A 240 3.238 -5.188 -12.857 1.00 0.00 H new ATOM 0 HE3 LYS A 240 2.645 -6.832 -12.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 2.283 -5.958 -14.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 0.793 -6.261 -14.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 1.368 -4.669 -14.346 1.00 0.00 H new ATOM 1130 N ARG A 241 1.024 -5.285 -7.269 1.00 0.00 N ATOM 1131 CA ARG A 241 1.055 -6.407 -6.286 1.00 0.00 C ATOM 1132 C ARG A 241 -0.196 -6.327 -5.415 1.00 0.00 C ATOM 1133 O ARG A 241 -0.687 -7.318 -4.911 1.00 0.00 O ATOM 1134 CB ARG A 241 2.318 -6.196 -5.455 1.00 0.00 C ATOM 1135 CG ARG A 241 3.477 -5.805 -6.374 1.00 0.00 C ATOM 1136 CD ARG A 241 4.785 -6.369 -5.819 1.00 0.00 C ATOM 1137 NE ARG A 241 4.846 -7.769 -6.323 1.00 0.00 N ATOM 1138 CZ ARG A 241 5.919 -8.487 -6.128 1.00 0.00 C ATOM 1139 NH1 ARG A 241 7.094 -7.918 -6.129 1.00 0.00 N ATOM 1140 NH2 ARG A 241 5.818 -9.774 -5.931 1.00 0.00 N ATOM 0 H ARG A 241 1.710 -4.546 -7.115 1.00 0.00 H new ATOM 0 HA ARG A 241 1.068 -7.388 -6.761 1.00 0.00 H new ATOM 0 HB2 ARG A 241 2.151 -5.416 -4.712 1.00 0.00 H new ATOM 0 HB3 ARG A 241 2.564 -7.108 -4.910 1.00 0.00 H new ATOM 0 HG2 ARG A 241 3.302 -6.188 -7.379 1.00 0.00 H new ATOM 0 HG3 ARG A 241 3.542 -4.720 -6.453 1.00 0.00 H new ATOM 0 HD2 ARG A 241 5.642 -5.789 -6.161 1.00 0.00 H new ATOM 0 HD3 ARG A 241 4.796 -6.341 -4.729 1.00 0.00 H new ATOM 0 HE ARG A 241 4.050 -8.167 -6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 241 7.174 -6.913 -6.282 1.00 0.00 H new ATOM 0 HH12 ARG A 241 7.932 -8.479 -5.977 1.00 0.00 H new ATOM 0 HH21 ARG A 241 4.900 -10.219 -5.929 1.00 0.00 H new ATOM 0 HH22 ARG A 241 6.657 -10.334 -5.779 1.00 0.00 H new ATOM 1154 N LEU A 242 -0.728 -5.145 -5.263 1.00 0.00 N ATOM 1155 CA LEU A 242 -1.966 -4.976 -4.458 1.00 0.00 C ATOM 1156 C LEU A 242 -3.139 -5.525 -5.259 1.00 0.00 C ATOM 1157 O LEU A 242 -4.057 -6.115 -4.722 1.00 0.00 O ATOM 1158 CB LEU A 242 -2.104 -3.463 -4.271 1.00 0.00 C ATOM 1159 CG LEU A 242 -2.922 -3.160 -3.012 1.00 0.00 C ATOM 1160 CD1 LEU A 242 -4.160 -4.056 -2.982 1.00 0.00 C ATOM 1161 CD2 LEU A 242 -2.068 -3.422 -1.770 1.00 0.00 C ATOM 0 H LEU A 242 -0.354 -4.285 -5.665 1.00 0.00 H new ATOM 0 HA LEU A 242 -1.938 -5.497 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -1.117 -3.007 -4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -2.588 -3.024 -5.143 1.00 0.00 H new ATOM 0 HG LEU A 242 -3.231 -2.115 -3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -4.743 -3.841 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -4.769 -3.865 -3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -3.852 -5.102 -2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -2.651 -3.206 -0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -1.756 -4.466 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.187 -2.781 -1.792 1.00 0.00 H new ATOM 1173 N ASP A 243 -3.100 -5.350 -6.551 1.00 0.00 N ATOM 1174 CA ASP A 243 -4.202 -5.880 -7.404 1.00 0.00 C ATOM 1175 C ASP A 243 -4.177 -7.404 -7.351 1.00 0.00 C ATOM 1176 O ASP A 243 -5.179 -8.044 -7.105 1.00 0.00 O ATOM 1177 CB ASP A 243 -3.905 -5.385 -8.820 1.00 0.00 C ATOM 1178 CG ASP A 243 -4.523 -3.999 -9.019 1.00 0.00 C ATOM 1179 OD1 ASP A 243 -4.559 -3.245 -8.061 1.00 0.00 O ATOM 1180 OD2 ASP A 243 -4.952 -3.717 -10.126 1.00 0.00 O ATOM 0 H ASP A 243 -2.356 -4.865 -7.052 1.00 0.00 H new ATOM 0 HA ASP A 243 -5.186 -5.548 -7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -2.828 -5.341 -8.982 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -4.309 -6.083 -9.553 1.00 0.00 H new ATOM 1185 N ASN A 244 -3.030 -7.990 -7.564 1.00 0.00 N ATOM 1186 CA ASN A 244 -2.941 -9.476 -7.503 1.00 0.00 C ATOM 1187 C ASN A 244 -3.218 -9.939 -6.072 1.00 0.00 C ATOM 1188 O ASN A 244 -3.586 -11.073 -5.833 1.00 0.00 O ATOM 1189 CB ASN A 244 -1.508 -9.810 -7.918 1.00 0.00 C ATOM 1190 CG ASN A 244 -1.523 -10.525 -9.271 1.00 0.00 C ATOM 1191 OD1 ASN A 244 -2.443 -10.363 -10.047 1.00 0.00 O ATOM 1192 ND2 ASN A 244 -0.534 -11.316 -9.588 1.00 0.00 N ATOM 0 H ASN A 244 -2.157 -7.508 -7.776 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.665 -9.971 -8.151 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -0.915 -8.898 -7.983 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -1.038 -10.443 -7.165 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -0.534 -11.798 -10.487 1.00 0.00 H new ATOM 0 HD22 ASN A 244 0.239 -11.452 -8.937 1.00 0.00 H new ATOM 1199 N TYR A 245 -3.069 -9.062 -5.114 1.00 0.00 N ATOM 1200 CA TYR A 245 -3.356 -9.445 -3.711 1.00 0.00 C ATOM 1201 C TYR A 245 -4.864 -9.401 -3.504 1.00 0.00 C ATOM 1202 O TYR A 245 -5.443 -10.239 -2.843 1.00 0.00 O ATOM 1203 CB TYR A 245 -2.666 -8.391 -2.846 1.00 0.00 C ATOM 1204 CG TYR A 245 -3.197 -8.487 -1.437 1.00 0.00 C ATOM 1205 CD1 TYR A 245 -2.681 -9.447 -0.557 1.00 0.00 C ATOM 1206 CD2 TYR A 245 -4.213 -7.622 -1.011 1.00 0.00 C ATOM 1207 CE1 TYR A 245 -3.180 -9.541 0.747 1.00 0.00 C ATOM 1208 CE2 TYR A 245 -4.712 -7.717 0.293 1.00 0.00 C ATOM 1209 CZ TYR A 245 -4.195 -8.677 1.172 1.00 0.00 C ATOM 1210 OH TYR A 245 -4.688 -8.773 2.456 1.00 0.00 O ATOM 0 H TYR A 245 -2.761 -8.099 -5.248 1.00 0.00 H new ATOM 0 HA TYR A 245 -3.003 -10.445 -3.461 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -1.587 -8.546 -2.853 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -2.848 -7.395 -3.250 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -1.898 -10.115 -0.885 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -4.611 -6.882 -1.689 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -2.781 -10.281 1.426 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -5.496 -7.050 0.621 1.00 0.00 H new ATOM 0 HH TYR A 245 -5.663 -8.673 2.440 1.00 0.00 H new ATOM 1220 N CYS A 246 -5.506 -8.429 -4.089 1.00 0.00 N ATOM 1221 CA CYS A 246 -6.978 -8.323 -3.955 1.00 0.00 C ATOM 1222 C CYS A 246 -7.631 -9.514 -4.648 1.00 0.00 C ATOM 1223 O CYS A 246 -8.642 -10.017 -4.214 1.00 0.00 O ATOM 1224 CB CYS A 246 -7.352 -7.017 -4.654 1.00 0.00 C ATOM 1225 SG CYS A 246 -7.096 -5.633 -3.516 1.00 0.00 S ATOM 0 H CYS A 246 -5.069 -7.702 -4.656 1.00 0.00 H new ATOM 0 HA CYS A 246 -7.310 -8.325 -2.917 1.00 0.00 H new ATOM 0 HB2 CYS A 246 -6.744 -6.884 -5.549 1.00 0.00 H new ATOM 0 HB3 CYS A 246 -8.393 -7.049 -4.977 1.00 0.00 H new ATOM 0 HG CYS A 246 -6.781 -4.568 -4.192 1.00 0.00 H new ATOM 1231 N LYS A 247 -7.053 -9.977 -5.721 1.00 0.00 N ATOM 1232 CA LYS A 247 -7.642 -11.146 -6.426 1.00 0.00 C ATOM 1233 C LYS A 247 -7.257 -12.431 -5.687 1.00 0.00 C ATOM 1234 O LYS A 247 -7.940 -13.433 -5.761 1.00 0.00 O ATOM 1235 CB LYS A 247 -7.050 -11.100 -7.847 1.00 0.00 C ATOM 1236 CG LYS A 247 -5.721 -11.864 -7.907 1.00 0.00 C ATOM 1237 CD LYS A 247 -5.285 -12.014 -9.366 1.00 0.00 C ATOM 1238 CE LYS A 247 -5.513 -13.457 -9.824 1.00 0.00 C ATOM 1239 NZ LYS A 247 -6.275 -13.340 -11.099 1.00 0.00 N ATOM 0 H LYS A 247 -6.203 -9.598 -6.138 1.00 0.00 H new ATOM 0 HA LYS A 247 -8.731 -11.122 -6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -7.757 -11.534 -8.555 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -6.893 -10.064 -8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -4.957 -11.331 -7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -5.832 -12.846 -7.447 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -5.850 -11.328 -9.997 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -4.233 -11.751 -9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -4.567 -13.977 -9.976 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -6.073 -14.024 -9.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -6.470 -14.290 -11.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -7.173 -12.847 -10.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -5.715 -12.802 -11.790 1.00 0.00 H new ATOM 1253 N GLN A 248 -6.174 -12.399 -4.962 1.00 0.00 N ATOM 1254 CA GLN A 248 -5.749 -13.605 -4.201 1.00 0.00 C ATOM 1255 C GLN A 248 -6.244 -13.497 -2.758 1.00 0.00 C ATOM 1256 O GLN A 248 -5.936 -14.323 -1.921 1.00 0.00 O ATOM 1257 CB GLN A 248 -4.221 -13.589 -4.247 1.00 0.00 C ATOM 1258 CG GLN A 248 -3.693 -15.023 -4.193 1.00 0.00 C ATOM 1259 CD GLN A 248 -2.667 -15.233 -5.308 1.00 0.00 C ATOM 1260 OE1 GLN A 248 -1.488 -15.364 -5.048 1.00 0.00 O ATOM 1261 NE2 GLN A 248 -3.070 -15.271 -6.549 1.00 0.00 N ATOM 0 H GLN A 248 -5.564 -11.587 -4.864 1.00 0.00 H new ATOM 0 HA GLN A 248 -6.153 -14.528 -4.617 1.00 0.00 H new ATOM 0 HB2 GLN A 248 -3.879 -13.099 -5.159 1.00 0.00 H new ATOM 0 HB3 GLN A 248 -3.828 -13.014 -3.409 1.00 0.00 H new ATOM 0 HG2 GLN A 248 -3.236 -15.217 -3.223 1.00 0.00 H new ATOM 0 HG3 GLN A 248 -4.516 -15.729 -4.304 1.00 0.00 H new ATOM 0 HE21 GLN A 248 -4.060 -15.161 -6.767 1.00 0.00 H new ATOM 0 HE22 GLN A 248 -2.395 -15.411 -7.300 1.00 0.00 H new ATOM 1270 N PHE A 249 -7.002 -12.476 -2.459 1.00 0.00 N ATOM 1271 CA PHE A 249 -7.508 -12.313 -1.065 1.00 0.00 C ATOM 1272 C PHE A 249 -8.872 -11.603 -1.032 1.00 0.00 C ATOM 1273 O PHE A 249 -9.583 -11.686 -0.050 1.00 0.00 O ATOM 1274 CB PHE A 249 -6.449 -11.468 -0.356 1.00 0.00 C ATOM 1275 CG PHE A 249 -5.198 -12.290 -0.175 1.00 0.00 C ATOM 1276 CD1 PHE A 249 -5.199 -13.370 0.714 1.00 0.00 C ATOM 1277 CD2 PHE A 249 -4.039 -11.976 -0.895 1.00 0.00 C ATOM 1278 CE1 PHE A 249 -4.042 -14.139 0.884 1.00 0.00 C ATOM 1279 CE2 PHE A 249 -2.882 -12.745 -0.726 1.00 0.00 C ATOM 1280 CZ PHE A 249 -2.882 -13.826 0.164 1.00 0.00 C ATOM 0 H PHE A 249 -7.292 -11.751 -3.116 1.00 0.00 H new ATOM 0 HA PHE A 249 -7.663 -13.279 -0.585 1.00 0.00 H new ATOM 0 HB2 PHE A 249 -6.230 -10.574 -0.939 1.00 0.00 H new ATOM 0 HB3 PHE A 249 -6.822 -11.133 0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 249 -6.093 -13.611 1.270 1.00 0.00 H new ATOM 0 HD2 PHE A 249 -4.038 -11.141 -1.580 1.00 0.00 H new ATOM 0 HE1 PHE A 249 -4.044 -14.973 1.570 1.00 0.00 H new ATOM 0 HE2 PHE A 249 -1.988 -12.504 -1.283 1.00 0.00 H new ATOM 0 HZ PHE A 249 -1.988 -14.418 0.295 1.00 0.00 H new ATOM 1290 N ILE A 250 -9.253 -10.904 -2.072 1.00 0.00 N ATOM 1291 CA ILE A 250 -10.572 -10.210 -2.038 1.00 0.00 C ATOM 1292 C ILE A 250 -11.447 -10.676 -3.209 1.00 0.00 C ATOM 1293 O ILE A 250 -12.642 -10.830 -3.078 1.00 0.00 O ATOM 1294 CB ILE A 250 -10.226 -8.715 -2.123 1.00 0.00 C ATOM 1295 CG1 ILE A 250 -9.963 -8.182 -0.714 1.00 0.00 C ATOM 1296 CG2 ILE A 250 -11.385 -7.928 -2.733 1.00 0.00 C ATOM 1297 CD1 ILE A 250 -8.547 -7.608 -0.635 1.00 0.00 C ATOM 0 H ILE A 250 -8.715 -10.786 -2.931 1.00 0.00 H new ATOM 0 HA ILE A 250 -11.149 -10.427 -1.139 1.00 0.00 H new ATOM 0 HB ILE A 250 -9.343 -8.596 -2.751 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -10.692 -7.411 -0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -10.082 -8.983 0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -11.120 -6.872 -2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -11.589 -8.300 -3.737 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -12.273 -8.050 -2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -8.364 -7.229 0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -7.824 -8.390 -0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -8.443 -6.795 -1.353 1.00 0.00 H new ATOM 1309 N ILE A 251 -10.860 -10.923 -4.347 1.00 0.00 N ATOM 1310 CA ILE A 251 -11.664 -11.400 -5.514 1.00 0.00 C ATOM 1311 C ILE A 251 -11.009 -12.652 -6.114 1.00 0.00 C ATOM 1312 O ILE A 251 -10.251 -13.338 -5.456 1.00 0.00 O ATOM 1313 CB ILE A 251 -11.665 -10.249 -6.530 1.00 0.00 C ATOM 1314 CG1 ILE A 251 -11.727 -8.903 -5.808 1.00 0.00 C ATOM 1315 CG2 ILE A 251 -12.892 -10.372 -7.431 1.00 0.00 C ATOM 1316 CD1 ILE A 251 -10.367 -8.213 -5.898 1.00 0.00 C ATOM 0 H ILE A 251 -9.861 -10.816 -4.522 1.00 0.00 H new ATOM 0 HA ILE A 251 -12.681 -11.667 -5.227 1.00 0.00 H new ATOM 0 HB ILE A 251 -10.750 -10.304 -7.120 1.00 0.00 H new ATOM 0 HG12 ILE A 251 -12.496 -8.274 -6.255 1.00 0.00 H new ATOM 0 HG13 ILE A 251 -12.003 -9.051 -4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 251 -12.896 -9.556 -8.154 1.00 0.00 H new ATOM 0 HG22 ILE A 251 -12.861 -11.325 -7.959 1.00 0.00 H new ATOM 0 HG23 ILE A 251 -13.796 -10.323 -6.824 1.00 0.00 H new ATOM 0 HD11 ILE A 251 -10.411 -7.253 -5.383 1.00 0.00 H new ATOM 0 HD12 ILE A 251 -9.609 -8.841 -5.430 1.00 0.00 H new ATOM 0 HD13 ILE A 251 -10.109 -8.052 -6.945 1.00 0.00 H new