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 244 ASN : amide:sc= -1.05 K(o=-1.1,f=-2.5!) USER MOD Set 1.2: A 247 LYS NZ :NH3+ -150:sc= -0.043 (180deg=-0.618) USER MOD Set 2.1: A 230 TYR OH : rot 53:sc= -1.18! USER MOD Set 2.2: A 246 CYS SG : rot 9:sc= -1.76 USER MOD Set 3.1: A 229 THR OG1 : rot 180:sc= 0.63 USER MOD Set 3.2: A 232 SER OG : rot 109:sc= 0.702 USER MOD Set 4.1: A 184 ASN : amide:sc= -1.71 K(o=-13,f=-17!) USER MOD Set 4.2: A 185 HIS : no HE2:sc= -8.44! C(o=-13!,f=-30!) USER MOD Set 4.3: A 245 TYR OH : rot 138:sc= -3.27! USER MOD Single : A 210 ASN : amide:sc= -0.0269 X(o=-0.027,f=-0.39) USER MOD Single : A 211 TYR OH : rot 180:sc= 0 USER MOD Single : A 216 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 225 ASN : amide:sc= -1.07! C(o=-1.1!,f=-1.9!) USER MOD Single : A 226 THR OG1 : rot -86:sc= 2.06! USER MOD Single : A 235 GLN : amide:sc= -0.21 K(o=-0.21,f=-2.8!) USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 248 GLN :FLIP amide:sc= -0.447 F(o=-1,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 179 5.936 -1.133 -4.246 1.00 0.00 N ATOM 106 CA ILE A 179 5.360 -2.136 -3.306 1.00 0.00 C ATOM 107 C ILE A 179 6.074 -3.482 -3.469 1.00 0.00 C ATOM 108 O ILE A 179 6.168 -4.015 -4.557 1.00 0.00 O ATOM 109 CB ILE A 179 3.869 -2.217 -3.693 1.00 0.00 C ATOM 110 CG1 ILE A 179 3.025 -2.173 -2.425 1.00 0.00 C ATOM 111 CG2 ILE A 179 3.553 -3.513 -4.454 1.00 0.00 C ATOM 112 CD1 ILE A 179 1.542 -2.268 -2.792 1.00 0.00 C ATOM 0 HA ILE A 179 5.481 -1.862 -2.258 1.00 0.00 H new ATOM 0 HB ILE A 179 3.640 -1.373 -4.343 1.00 0.00 H new ATOM 0 HG12 ILE A 179 3.300 -2.995 -1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 179 3.217 -1.249 -1.880 1.00 0.00 H new ATOM 0 HG21 ILE A 179 2.494 -3.535 -4.710 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.148 -3.554 -5.366 1.00 0.00 H new ATOM 0 HG23 ILE A 179 3.793 -4.371 -3.826 1.00 0.00 H new ATOM 0 HD11 ILE A 179 0.940 -2.236 -1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.272 -1.431 -3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 179 1.357 -3.205 -3.318 1.00 0.00 H new ATOM 124 N ASP A 180 6.574 -4.039 -2.399 1.00 0.00 N ATOM 125 CA ASP A 180 7.271 -5.348 -2.512 1.00 0.00 C ATOM 126 C ASP A 180 6.264 -6.484 -2.345 1.00 0.00 C ATOM 127 O ASP A 180 6.241 -7.421 -3.117 1.00 0.00 O ATOM 128 CB ASP A 180 8.295 -5.362 -1.376 1.00 0.00 C ATOM 129 CG ASP A 180 9.512 -6.188 -1.794 1.00 0.00 C ATOM 130 OD1 ASP A 180 9.330 -7.344 -2.139 1.00 0.00 O ATOM 131 OD2 ASP A 180 10.607 -5.650 -1.762 1.00 0.00 O ATOM 0 H ASP A 180 6.530 -3.646 -1.459 1.00 0.00 H new ATOM 0 HA ASP A 180 7.750 -5.481 -3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 180 8.599 -4.344 -1.134 1.00 0.00 H new ATOM 0 HB3 ASP A 180 7.849 -5.783 -0.475 1.00 0.00 H new ATOM 136 N ILE A 181 5.430 -6.413 -1.343 1.00 0.00 N ATOM 137 CA ILE A 181 4.437 -7.502 -1.135 1.00 0.00 C ATOM 138 C ILE A 181 3.268 -7.026 -0.262 1.00 0.00 C ATOM 139 O ILE A 181 3.448 -6.306 0.698 1.00 0.00 O ATOM 140 CB ILE A 181 5.219 -8.587 -0.397 1.00 0.00 C ATOM 141 CG1 ILE A 181 6.143 -9.324 -1.368 1.00 0.00 C ATOM 142 CG2 ILE A 181 4.248 -9.588 0.234 1.00 0.00 C ATOM 143 CD1 ILE A 181 6.704 -10.567 -0.678 1.00 0.00 C ATOM 0 H ILE A 181 5.394 -5.653 -0.664 1.00 0.00 H new ATOM 0 HA ILE A 181 4.006 -7.844 -2.076 1.00 0.00 H new ATOM 0 HB ILE A 181 5.818 -8.117 0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 181 5.595 -9.608 -2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 181 6.956 -8.670 -1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 181 4.811 -10.360 0.759 1.00 0.00 H new ATOM 0 HG22 ILE A 181 3.598 -9.070 0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 181 3.642 -10.049 -0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 181 7.364 -11.098 -1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 181 7.265 -10.269 0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 181 5.883 -11.222 -0.384 1.00 0.00 H new ATOM 155 N VAL A 182 2.079 -7.458 -0.571 1.00 0.00 N ATOM 156 CA VAL A 182 0.901 -7.073 0.257 1.00 0.00 C ATOM 157 C VAL A 182 0.734 -8.105 1.377 1.00 0.00 C ATOM 158 O VAL A 182 0.127 -9.142 1.197 1.00 0.00 O ATOM 159 CB VAL A 182 -0.287 -7.101 -0.706 1.00 0.00 C ATOM 160 CG1 VAL A 182 -1.492 -6.421 -0.053 1.00 0.00 C ATOM 161 CG2 VAL A 182 0.090 -6.350 -1.985 1.00 0.00 C ATOM 0 H VAL A 182 1.870 -8.064 -1.365 1.00 0.00 H new ATOM 0 HA VAL A 182 0.999 -6.094 0.725 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.542 -8.133 -0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.338 -6.442 -0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -1.756 -6.949 0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -1.242 -5.387 0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.752 -6.365 -2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 182 0.340 -5.318 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.951 -6.832 -2.449 1.00 0.00 H new ATOM 171 N ILE A 183 1.301 -7.838 2.522 1.00 0.00 N ATOM 172 CA ILE A 183 1.216 -8.812 3.652 1.00 0.00 C ATOM 173 C ILE A 183 -0.238 -9.149 3.990 1.00 0.00 C ATOM 174 O ILE A 183 -0.564 -10.277 4.300 1.00 0.00 O ATOM 175 CB ILE A 183 1.886 -8.107 4.832 1.00 0.00 C ATOM 176 CG1 ILE A 183 3.338 -7.790 4.479 1.00 0.00 C ATOM 177 CG2 ILE A 183 1.855 -9.022 6.055 1.00 0.00 C ATOM 178 CD1 ILE A 183 4.093 -9.093 4.214 1.00 0.00 C ATOM 0 H ILE A 183 1.822 -6.985 2.726 1.00 0.00 H new ATOM 0 HA ILE A 183 1.698 -9.757 3.402 1.00 0.00 H new ATOM 0 HB ILE A 183 1.352 -7.182 5.051 1.00 0.00 H new ATOM 0 HG12 ILE A 183 3.378 -7.148 3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 183 3.811 -7.242 5.294 1.00 0.00 H new ATOM 0 HG21 ILE A 183 2.332 -8.520 6.897 1.00 0.00 H new ATOM 0 HG22 ILE A 183 0.821 -9.254 6.310 1.00 0.00 H new ATOM 0 HG23 ILE A 183 2.390 -9.945 5.832 1.00 0.00 H new ATOM 0 HD11 ILE A 183 5.129 -8.868 3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 183 4.064 -9.718 5.106 1.00 0.00 H new ATOM 0 HD13 ILE A 183 3.625 -9.623 3.384 1.00 0.00 H new ATOM 190 N ASN A 184 -1.109 -8.184 3.946 1.00 0.00 N ATOM 191 CA ASN A 184 -2.535 -8.457 4.278 1.00 0.00 C ATOM 192 C ASN A 184 -3.365 -7.184 4.108 1.00 0.00 C ATOM 193 O ASN A 184 -2.905 -6.201 3.563 1.00 0.00 O ATOM 194 CB ASN A 184 -2.522 -8.898 5.743 1.00 0.00 C ATOM 195 CG ASN A 184 -2.832 -10.394 5.828 1.00 0.00 C ATOM 196 OD1 ASN A 184 -3.129 -11.023 4.832 1.00 0.00 O ATOM 197 ND2 ASN A 184 -2.777 -10.994 6.986 1.00 0.00 N ATOM 0 H ASN A 184 -0.897 -7.218 3.695 1.00 0.00 H new ATOM 0 HA ASN A 184 -2.975 -9.214 3.629 1.00 0.00 H new ATOM 0 HB2 ASN A 184 -1.548 -8.692 6.187 1.00 0.00 H new ATOM 0 HB3 ASN A 184 -3.259 -8.330 6.311 1.00 0.00 H new ATOM 0 HD21 ASN A 184 -2.983 -11.991 7.054 1.00 0.00 H new ATOM 0 HD22 ASN A 184 -2.528 -10.466 7.822 1.00 0.00 H new ATOM 204 N HIS A 185 -4.584 -7.191 4.571 1.00 0.00 N ATOM 205 CA HIS A 185 -5.433 -5.977 4.432 1.00 0.00 C ATOM 206 C HIS A 185 -6.683 -6.096 5.311 1.00 0.00 C ATOM 207 O HIS A 185 -6.893 -7.090 5.975 1.00 0.00 O ATOM 208 CB HIS A 185 -5.815 -5.932 2.946 1.00 0.00 C ATOM 209 CG HIS A 185 -6.982 -6.850 2.686 1.00 0.00 C ATOM 210 ND1 HIS A 185 -6.825 -8.210 2.474 1.00 0.00 N ATOM 211 CD2 HIS A 185 -8.330 -6.615 2.611 1.00 0.00 C ATOM 212 CE1 HIS A 185 -8.049 -8.735 2.282 1.00 0.00 C ATOM 213 NE2 HIS A 185 -9.003 -7.806 2.355 1.00 0.00 N ATOM 0 H HIS A 185 -5.027 -7.982 5.038 1.00 0.00 H new ATOM 0 HA HIS A 185 -4.915 -5.071 4.748 1.00 0.00 H new ATOM 0 HB2 HIS A 185 -6.073 -4.913 2.659 1.00 0.00 H new ATOM 0 HB3 HIS A 185 -4.964 -6.230 2.334 1.00 0.00 H new ATOM 0 HD1 HIS A 185 -5.942 -8.721 2.465 1.00 0.00 H new ATOM 0 HD2 HIS A 185 -8.800 -5.650 2.732 1.00 0.00 H new ATOM 0 HE1 HIS A 185 -8.236 -9.782 2.092 1.00 0.00 H new ATOM 221 N ARG A 186 -7.516 -5.091 5.303 1.00 0.00 N ATOM 222 CA ARG A 186 -8.760 -5.140 6.125 1.00 0.00 C ATOM 223 C ARG A 186 -9.453 -3.776 6.104 1.00 0.00 C ATOM 224 O ARG A 186 -8.925 -2.808 5.591 1.00 0.00 O ATOM 225 CB ARG A 186 -8.300 -5.479 7.542 1.00 0.00 C ATOM 226 CG ARG A 186 -7.072 -4.640 7.898 1.00 0.00 C ATOM 227 CD ARG A 186 -7.342 -3.874 9.194 1.00 0.00 C ATOM 228 NE ARG A 186 -7.468 -4.927 10.238 1.00 0.00 N ATOM 229 CZ ARG A 186 -8.649 -5.272 10.674 1.00 0.00 C ATOM 230 NH1 ARG A 186 -9.422 -4.381 11.232 1.00 0.00 N ATOM 231 NH2 ARG A 186 -9.056 -6.506 10.551 1.00 0.00 N ATOM 0 H ARG A 186 -7.389 -4.236 4.762 1.00 0.00 H new ATOM 0 HA ARG A 186 -9.472 -5.873 5.746 1.00 0.00 H new ATOM 0 HB2 ARG A 186 -9.104 -5.285 8.252 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -8.061 -6.540 7.613 1.00 0.00 H new ATOM 0 HG2 ARG A 186 -6.200 -5.283 8.017 1.00 0.00 H new ATOM 0 HG3 ARG A 186 -6.847 -3.943 7.090 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -6.529 -3.185 9.423 1.00 0.00 H new ATOM 0 HD3 ARG A 186 -8.252 -3.279 9.120 1.00 0.00 H new ATOM 0 HE ARG A 186 -6.633 -5.378 10.612 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -9.103 -3.417 11.327 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -10.345 -4.649 11.573 1.00 0.00 H new ATOM 0 HH21 ARG A 186 -8.451 -7.201 10.114 1.00 0.00 H new ATOM 0 HH22 ARG A 186 -9.979 -6.775 10.892 1.00 0.00 H new ATOM 612 N ASN A 210 -13.180 1.332 0.590 1.00 0.00 N ATOM 613 CA ASN A 210 -13.100 1.361 2.080 1.00 0.00 C ATOM 614 C ASN A 210 -12.266 0.190 2.605 1.00 0.00 C ATOM 615 O ASN A 210 -12.778 -0.711 3.239 1.00 0.00 O ATOM 616 CB ASN A 210 -14.548 1.239 2.554 1.00 0.00 C ATOM 617 CG ASN A 210 -15.164 2.633 2.683 1.00 0.00 C ATOM 618 OD1 ASN A 210 -14.581 3.515 3.282 1.00 0.00 O ATOM 619 ND2 ASN A 210 -16.327 2.871 2.141 1.00 0.00 N ATOM 0 HA ASN A 210 -12.620 2.270 2.443 1.00 0.00 H new ATOM 0 HB2 ASN A 210 -15.123 0.640 1.848 1.00 0.00 H new ATOM 0 HB3 ASN A 210 -14.585 0.724 3.514 1.00 0.00 H new ATOM 0 HD21 ASN A 210 -16.747 3.797 2.220 1.00 0.00 H new ATOM 0 HD22 ASN A 210 -16.816 2.131 1.638 1.00 0.00 H new ATOM 626 N TYR A 211 -10.985 0.192 2.349 1.00 0.00 N ATOM 627 CA TYR A 211 -10.131 -0.929 2.843 1.00 0.00 C ATOM 628 C TYR A 211 -8.650 -0.544 2.837 1.00 0.00 C ATOM 629 O TYR A 211 -8.161 0.073 1.911 1.00 0.00 O ATOM 630 CB TYR A 211 -10.369 -2.064 1.858 1.00 0.00 C ATOM 631 CG TYR A 211 -11.225 -3.131 2.499 1.00 0.00 C ATOM 632 CD1 TYR A 211 -10.629 -4.126 3.280 1.00 0.00 C ATOM 633 CD2 TYR A 211 -12.612 -3.130 2.305 1.00 0.00 C ATOM 634 CE1 TYR A 211 -11.417 -5.121 3.868 1.00 0.00 C ATOM 635 CE2 TYR A 211 -13.401 -4.125 2.894 1.00 0.00 C ATOM 636 CZ TYR A 211 -12.804 -5.121 3.675 1.00 0.00 C ATOM 637 OH TYR A 211 -13.582 -6.103 4.254 1.00 0.00 O ATOM 0 H TYR A 211 -10.495 0.916 1.823 1.00 0.00 H new ATOM 0 HA TYR A 211 -10.381 -1.197 3.869 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -10.859 -1.683 0.962 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -9.416 -2.490 1.544 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -9.559 -4.126 3.429 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -13.073 -2.362 1.701 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -10.956 -5.889 4.471 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -14.471 -4.124 2.746 1.00 0.00 H new ATOM 0 HH TYR A 211 -14.522 -5.955 4.021 1.00 0.00 H new ATOM 647 N GLU A 212 -7.928 -0.934 3.852 1.00 0.00 N ATOM 648 CA GLU A 212 -6.471 -0.627 3.896 1.00 0.00 C ATOM 649 C GLU A 212 -5.697 -1.878 3.482 1.00 0.00 C ATOM 650 O GLU A 212 -6.279 -2.913 3.228 1.00 0.00 O ATOM 651 CB GLU A 212 -6.177 -0.269 5.354 1.00 0.00 C ATOM 652 CG GLU A 212 -5.655 1.166 5.429 1.00 0.00 C ATOM 653 CD GLU A 212 -5.184 1.466 6.853 1.00 0.00 C ATOM 654 OE1 GLU A 212 -4.806 0.530 7.540 1.00 0.00 O ATOM 655 OE2 GLU A 212 -5.209 2.625 7.232 1.00 0.00 O ATOM 0 H GLU A 212 -8.286 -1.453 4.654 1.00 0.00 H new ATOM 0 HA GLU A 212 -6.184 0.184 3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -7.081 -0.371 5.954 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -5.440 -0.958 5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -4.832 1.302 4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -6.440 1.865 5.140 1.00 0.00 H new ATOM 662 N PHE A 213 -4.400 -1.804 3.408 1.00 0.00 N ATOM 663 CA PHE A 213 -3.625 -3.010 3.001 1.00 0.00 C ATOM 664 C PHE A 213 -2.226 -2.990 3.617 1.00 0.00 C ATOM 665 O PHE A 213 -1.504 -2.021 3.495 1.00 0.00 O ATOM 666 CB PHE A 213 -3.506 -2.909 1.480 1.00 0.00 C ATOM 667 CG PHE A 213 -4.844 -3.155 0.831 1.00 0.00 C ATOM 668 CD1 PHE A 213 -5.733 -2.091 0.634 1.00 0.00 C ATOM 669 CD2 PHE A 213 -5.187 -4.443 0.407 1.00 0.00 C ATOM 670 CE1 PHE A 213 -6.968 -2.318 0.016 1.00 0.00 C ATOM 671 CE2 PHE A 213 -6.420 -4.669 -0.213 1.00 0.00 C ATOM 672 CZ PHE A 213 -7.310 -3.608 -0.408 1.00 0.00 C ATOM 0 H PHE A 213 -3.846 -0.971 3.609 1.00 0.00 H new ATOM 0 HA PHE A 213 -4.113 -3.927 3.330 1.00 0.00 H new ATOM 0 HB2 PHE A 213 -3.136 -1.922 1.203 1.00 0.00 H new ATOM 0 HB3 PHE A 213 -2.779 -3.636 1.117 1.00 0.00 H new ATOM 0 HD1 PHE A 213 -5.466 -1.096 0.959 1.00 0.00 H new ATOM 0 HD2 PHE A 213 -4.500 -5.263 0.558 1.00 0.00 H new ATOM 0 HE1 PHE A 213 -7.656 -1.499 -0.134 1.00 0.00 H new ATOM 0 HE2 PHE A 213 -6.685 -5.663 -0.541 1.00 0.00 H new ATOM 0 HZ PHE A 213 -8.262 -3.784 -0.886 1.00 0.00 H new ATOM 682 N LEU A 214 -1.813 -4.058 4.245 1.00 0.00 N ATOM 683 CA LEU A 214 -0.438 -4.072 4.814 1.00 0.00 C ATOM 684 C LEU A 214 0.540 -4.165 3.658 1.00 0.00 C ATOM 685 O LEU A 214 0.619 -5.167 2.973 1.00 0.00 O ATOM 686 CB LEU A 214 -0.353 -5.316 5.698 1.00 0.00 C ATOM 687 CG LEU A 214 0.876 -5.254 6.622 1.00 0.00 C ATOM 688 CD1 LEU A 214 1.139 -3.827 7.103 1.00 0.00 C ATOM 689 CD2 LEU A 214 0.625 -6.155 7.831 1.00 0.00 C ATOM 0 H LEU A 214 -2.359 -4.908 4.387 1.00 0.00 H new ATOM 0 HA LEU A 214 -0.208 -3.180 5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 214 -1.259 -5.403 6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 214 -0.298 -6.207 5.073 1.00 0.00 H new ATOM 0 HG LEU A 214 1.750 -5.590 6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 214 2.014 -3.818 7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 214 1.319 -3.181 6.244 1.00 0.00 H new ATOM 0 HD13 LEU A 214 0.272 -3.464 7.655 1.00 0.00 H new ATOM 0 HD21 LEU A 214 1.488 -6.121 8.495 1.00 0.00 H new ATOM 0 HD22 LEU A 214 -0.259 -5.808 8.366 1.00 0.00 H new ATOM 0 HD23 LEU A 214 0.466 -7.180 7.495 1.00 0.00 H new ATOM 701 N ILE A 215 1.254 -3.119 3.405 1.00 0.00 N ATOM 702 CA ILE A 215 2.190 -3.135 2.261 1.00 0.00 C ATOM 703 C ILE A 215 3.623 -3.442 2.692 1.00 0.00 C ATOM 704 O ILE A 215 4.291 -2.619 3.281 1.00 0.00 O ATOM 705 CB ILE A 215 2.119 -1.723 1.700 1.00 0.00 C ATOM 706 CG1 ILE A 215 0.657 -1.288 1.544 1.00 0.00 C ATOM 707 CG2 ILE A 215 2.817 -1.697 0.348 1.00 0.00 C ATOM 708 CD1 ILE A 215 -0.118 -2.344 0.760 1.00 0.00 C ATOM 0 H ILE A 215 1.232 -2.251 3.940 1.00 0.00 H new ATOM 0 HA ILE A 215 1.920 -3.908 1.541 1.00 0.00 H new ATOM 0 HB ILE A 215 2.612 -1.032 2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 215 0.204 -1.146 2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.607 -0.329 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 215 2.773 -0.689 -0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 215 3.859 -1.994 0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 215 2.320 -2.390 -0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -1.156 -2.029 0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.328 -2.465 -0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.081 -3.294 1.294 1.00 0.00 H new ATOM 720 N LYS A 216 4.117 -4.606 2.366 1.00 0.00 N ATOM 721 CA LYS A 216 5.529 -4.922 2.720 1.00 0.00 C ATOM 722 C LYS A 216 6.447 -4.157 1.762 1.00 0.00 C ATOM 723 O LYS A 216 6.650 -4.559 0.633 1.00 0.00 O ATOM 724 CB LYS A 216 5.695 -6.432 2.522 1.00 0.00 C ATOM 725 CG LYS A 216 7.182 -6.784 2.572 1.00 0.00 C ATOM 726 CD LYS A 216 7.352 -8.236 3.022 1.00 0.00 C ATOM 727 CE LYS A 216 8.797 -8.678 2.779 1.00 0.00 C ATOM 728 NZ LYS A 216 9.497 -8.425 4.069 1.00 0.00 N ATOM 0 H LYS A 216 3.611 -5.343 1.876 1.00 0.00 H new ATOM 0 HA LYS A 216 5.777 -4.639 3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 216 5.154 -6.974 3.298 1.00 0.00 H new ATOM 0 HB3 LYS A 216 5.269 -6.735 1.565 1.00 0.00 H new ATOM 0 HG2 LYS A 216 7.633 -6.642 1.590 1.00 0.00 H new ATOM 0 HG3 LYS A 216 7.701 -6.117 3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 216 7.104 -8.332 4.079 1.00 0.00 H new ATOM 0 HD3 LYS A 216 6.666 -8.881 2.473 1.00 0.00 H new ATOM 0 HE2 LYS A 216 8.847 -9.731 2.502 1.00 0.00 H new ATOM 0 HE3 LYS A 216 9.252 -8.113 1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 216 10.495 -8.703 3.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 216 9.439 -7.413 4.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 216 9.047 -8.981 4.823 1.00 0.00 H new ATOM 742 N TRP A 217 6.988 -3.048 2.185 1.00 0.00 N ATOM 743 CA TRP A 217 7.875 -2.268 1.275 1.00 0.00 C ATOM 744 C TRP A 217 9.300 -2.827 1.328 1.00 0.00 C ATOM 745 O TRP A 217 10.045 -2.745 0.372 1.00 0.00 O ATOM 746 CB TRP A 217 7.836 -0.834 1.804 1.00 0.00 C ATOM 747 CG TRP A 217 6.419 -0.357 1.870 1.00 0.00 C ATOM 748 CD1 TRP A 217 5.619 -0.458 2.955 1.00 0.00 C ATOM 749 CD2 TRP A 217 5.620 0.288 0.832 1.00 0.00 C ATOM 750 NE1 TRP A 217 4.390 0.099 2.659 1.00 0.00 N ATOM 751 CE2 TRP A 217 4.336 0.566 1.360 1.00 0.00 C ATOM 752 CE3 TRP A 217 5.882 0.658 -0.499 1.00 0.00 C ATOM 753 CZ2 TRP A 217 3.346 1.187 0.594 1.00 0.00 C ATOM 754 CZ3 TRP A 217 4.887 1.282 -1.274 1.00 0.00 C ATOM 755 CH2 TRP A 217 3.622 1.544 -0.727 1.00 0.00 C ATOM 0 H TRP A 217 6.856 -2.650 3.115 1.00 0.00 H new ATOM 0 HA TRP A 217 7.550 -2.320 0.236 1.00 0.00 H new ATOM 0 HB2 TRP A 217 8.291 -0.789 2.793 1.00 0.00 H new ATOM 0 HB3 TRP A 217 8.419 -0.181 1.155 1.00 0.00 H new ATOM 0 HD1 TRP A 217 5.896 -0.902 3.900 1.00 0.00 H new ATOM 0 HE1 TRP A 217 3.616 0.158 3.320 1.00 0.00 H new ATOM 0 HE3 TRP A 217 6.853 0.462 -0.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 217 2.375 1.389 1.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 217 5.098 1.561 -2.296 1.00 0.00 H new ATOM 0 HH2 TRP A 217 2.862 2.022 -1.328 1.00 0.00 H new ATOM 871 N ASN A 225 7.332 -2.991 6.452 1.00 0.00 N ATOM 872 CA ASN A 225 5.872 -3.259 6.286 1.00 0.00 C ATOM 873 C ASN A 225 5.050 -2.150 6.943 1.00 0.00 C ATOM 874 O ASN A 225 5.394 -1.639 7.990 1.00 0.00 O ATOM 875 CB ASN A 225 5.619 -4.599 6.986 1.00 0.00 C ATOM 876 CG ASN A 225 6.765 -5.567 6.682 1.00 0.00 C ATOM 877 OD1 ASN A 225 7.510 -5.368 5.743 1.00 0.00 O ATOM 878 ND2 ASN A 225 6.937 -6.613 7.443 1.00 0.00 N ATOM 0 HA ASN A 225 5.583 -3.291 5.236 1.00 0.00 H new ATOM 0 HB2 ASN A 225 5.535 -4.447 8.062 1.00 0.00 H new ATOM 0 HB3 ASN A 225 4.673 -5.023 6.649 1.00 0.00 H new ATOM 0 HD21 ASN A 225 7.698 -7.265 7.250 1.00 0.00 H new ATOM 0 HD22 ASN A 225 6.311 -6.779 8.231 1.00 0.00 H new ATOM 885 N THR A 226 3.959 -1.782 6.332 1.00 0.00 N ATOM 886 CA THR A 226 3.095 -0.713 6.902 1.00 0.00 C ATOM 887 C THR A 226 1.684 -0.852 6.334 1.00 0.00 C ATOM 888 O THR A 226 1.474 -1.504 5.330 1.00 0.00 O ATOM 889 CB THR A 226 3.726 0.605 6.448 1.00 0.00 C ATOM 890 OG1 THR A 226 3.742 0.655 5.028 1.00 0.00 O ATOM 891 CG2 THR A 226 5.156 0.705 6.980 1.00 0.00 C ATOM 0 H THR A 226 3.626 -2.180 5.454 1.00 0.00 H new ATOM 0 HA THR A 226 3.024 -0.767 7.988 1.00 0.00 H new ATOM 0 HB THR A 226 3.141 1.438 6.837 1.00 0.00 H new ATOM 0 HG1 THR A 226 4.549 0.211 4.694 1.00 0.00 H new ATOM 0 HG21 THR A 226 5.601 1.645 6.654 1.00 0.00 H new ATOM 0 HG22 THR A 226 5.142 0.669 8.069 1.00 0.00 H new ATOM 0 HG23 THR A 226 5.746 -0.128 6.597 1.00 0.00 H new ATOM 899 N TRP A 227 0.717 -0.250 6.957 1.00 0.00 N ATOM 900 CA TRP A 227 -0.671 -0.361 6.436 1.00 0.00 C ATOM 901 C TRP A 227 -1.031 0.892 5.636 1.00 0.00 C ATOM 902 O TRP A 227 -1.322 1.935 6.190 1.00 0.00 O ATOM 903 CB TRP A 227 -1.543 -0.505 7.679 1.00 0.00 C ATOM 904 CG TRP A 227 -1.477 -1.924 8.137 1.00 0.00 C ATOM 905 CD1 TRP A 227 -0.503 -2.447 8.919 1.00 0.00 C ATOM 906 CD2 TRP A 227 -2.391 -3.016 7.837 1.00 0.00 C ATOM 907 NE1 TRP A 227 -0.762 -3.790 9.116 1.00 0.00 N ATOM 908 CE2 TRP A 227 -1.919 -4.187 8.473 1.00 0.00 C ATOM 909 CE3 TRP A 227 -3.576 -3.103 7.083 1.00 0.00 C ATOM 910 CZ2 TRP A 227 -2.595 -5.401 8.362 1.00 0.00 C ATOM 911 CZ3 TRP A 227 -4.258 -4.325 6.972 1.00 0.00 C ATOM 912 CH2 TRP A 227 -3.766 -5.471 7.611 1.00 0.00 C ATOM 0 H TRP A 227 0.824 0.312 7.801 1.00 0.00 H new ATOM 0 HA TRP A 227 -0.804 -1.204 5.758 1.00 0.00 H new ATOM 0 HB2 TRP A 227 -1.196 0.164 8.466 1.00 0.00 H new ATOM 0 HB3 TRP A 227 -2.573 -0.226 7.455 1.00 0.00 H new ATOM 0 HD1 TRP A 227 0.338 -1.903 9.323 1.00 0.00 H new ATOM 0 HE1 TRP A 227 -0.172 -4.412 9.668 1.00 0.00 H new ATOM 0 HE3 TRP A 227 -3.963 -2.225 6.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 227 -2.213 -6.282 8.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 227 -5.167 -4.382 6.391 1.00 0.00 H new ATOM 0 HH2 TRP A 227 -4.295 -6.408 7.521 1.00 0.00 H new ATOM 923 N GLU A 228 -0.998 0.798 4.336 1.00 0.00 N ATOM 924 CA GLU A 228 -1.321 1.982 3.493 1.00 0.00 C ATOM 925 C GLU A 228 -2.708 1.839 2.865 1.00 0.00 C ATOM 926 O GLU A 228 -3.457 0.936 3.182 1.00 0.00 O ATOM 927 CB GLU A 228 -0.245 1.997 2.407 1.00 0.00 C ATOM 928 CG GLU A 228 1.138 2.053 3.059 1.00 0.00 C ATOM 929 CD GLU A 228 1.860 3.326 2.612 1.00 0.00 C ATOM 930 OE1 GLU A 228 1.702 3.699 1.461 1.00 0.00 O ATOM 931 OE2 GLU A 228 2.556 3.906 3.428 1.00 0.00 O ATOM 0 H GLU A 228 -0.761 -0.049 3.820 1.00 0.00 H new ATOM 0 HA GLU A 228 -1.335 2.904 4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 228 -0.329 1.106 1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 228 -0.385 2.858 1.753 1.00 0.00 H new ATOM 0 HG2 GLU A 228 1.041 2.039 4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 228 1.720 1.175 2.779 1.00 0.00 H new ATOM 938 N THR A 229 -3.049 2.725 1.971 1.00 0.00 N ATOM 939 CA THR A 229 -4.375 2.651 1.304 1.00 0.00 C ATOM 940 C THR A 229 -4.212 3.012 -0.169 1.00 0.00 C ATOM 941 O THR A 229 -3.298 3.718 -0.542 1.00 0.00 O ATOM 942 CB THR A 229 -5.246 3.682 2.019 1.00 0.00 C ATOM 943 OG1 THR A 229 -4.517 4.892 2.172 1.00 0.00 O ATOM 944 CG2 THR A 229 -5.644 3.144 3.392 1.00 0.00 C ATOM 0 H THR A 229 -2.460 3.502 1.673 1.00 0.00 H new ATOM 0 HA THR A 229 -4.819 1.657 1.354 1.00 0.00 H new ATOM 0 HB THR A 229 -6.144 3.874 1.431 1.00 0.00 H new ATOM 0 HG1 THR A 229 -5.076 5.555 2.629 1.00 0.00 H new ATOM 0 HG21 THR A 229 -6.266 3.878 3.904 1.00 0.00 H new ATOM 0 HG22 THR A 229 -6.203 2.216 3.271 1.00 0.00 H new ATOM 0 HG23 THR A 229 -4.747 2.953 3.982 1.00 0.00 H new ATOM 952 N TYR A 230 -5.072 2.528 -1.012 1.00 0.00 N ATOM 953 CA TYR A 230 -4.932 2.842 -2.459 1.00 0.00 C ATOM 954 C TYR A 230 -4.623 4.325 -2.664 1.00 0.00 C ATOM 955 O TYR A 230 -3.774 4.689 -3.454 1.00 0.00 O ATOM 956 CB TYR A 230 -6.283 2.496 -3.083 1.00 0.00 C ATOM 957 CG TYR A 230 -6.271 1.075 -3.589 1.00 0.00 C ATOM 958 CD1 TYR A 230 -5.740 0.053 -2.796 1.00 0.00 C ATOM 959 CD2 TYR A 230 -6.799 0.779 -4.851 1.00 0.00 C ATOM 960 CE1 TYR A 230 -5.735 -1.264 -3.265 1.00 0.00 C ATOM 961 CE2 TYR A 230 -6.795 -0.538 -5.321 1.00 0.00 C ATOM 962 CZ TYR A 230 -6.262 -1.561 -4.528 1.00 0.00 C ATOM 963 OH TYR A 230 -6.257 -2.861 -4.990 1.00 0.00 O ATOM 0 H TYR A 230 -5.862 1.932 -0.767 1.00 0.00 H new ATOM 0 HA TYR A 230 -4.115 2.281 -2.912 1.00 0.00 H new ATOM 0 HB2 TYR A 230 -7.076 2.621 -2.345 1.00 0.00 H new ATOM 0 HB3 TYR A 230 -6.500 3.181 -3.903 1.00 0.00 H new ATOM 0 HD1 TYR A 230 -5.334 0.281 -1.822 1.00 0.00 H new ATOM 0 HD2 TYR A 230 -7.210 1.569 -5.462 1.00 0.00 H new ATOM 0 HE1 TYR A 230 -5.324 -2.053 -2.653 1.00 0.00 H new ATOM 0 HE2 TYR A 230 -7.203 -0.766 -6.295 1.00 0.00 H new ATOM 0 HH TYR A 230 -6.679 -3.446 -4.326 1.00 0.00 H new ATOM 973 N GLU A 231 -5.306 5.184 -1.963 1.00 0.00 N ATOM 974 CA GLU A 231 -5.051 6.645 -2.124 1.00 0.00 C ATOM 975 C GLU A 231 -3.627 6.987 -1.681 1.00 0.00 C ATOM 976 O GLU A 231 -3.159 8.093 -1.865 1.00 0.00 O ATOM 977 CB GLU A 231 -6.073 7.332 -1.220 1.00 0.00 C ATOM 978 CG GLU A 231 -6.387 8.725 -1.773 1.00 0.00 C ATOM 979 CD GLU A 231 -7.821 9.110 -1.405 1.00 0.00 C ATOM 980 OE1 GLU A 231 -8.065 9.354 -0.236 1.00 0.00 O ATOM 981 OE2 GLU A 231 -8.648 9.157 -2.300 1.00 0.00 O ATOM 0 H GLU A 231 -6.029 4.940 -1.286 1.00 0.00 H new ATOM 0 HA GLU A 231 -5.146 6.966 -3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -6.984 6.737 -1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.682 7.411 -0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -5.688 9.455 -1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -6.263 8.734 -2.856 1.00 0.00 H new ATOM 988 N SER A 232 -2.933 6.047 -1.099 1.00 0.00 N ATOM 989 CA SER A 232 -1.540 6.325 -0.648 1.00 0.00 C ATOM 990 C SER A 232 -0.568 5.344 -1.311 1.00 0.00 C ATOM 991 O SER A 232 0.617 5.593 -1.398 1.00 0.00 O ATOM 992 CB SER A 232 -1.565 6.120 0.864 1.00 0.00 C ATOM 993 OG SER A 232 -2.588 6.928 1.430 1.00 0.00 O ATOM 0 H SER A 232 -3.269 5.101 -0.917 1.00 0.00 H new ATOM 0 HA SER A 232 -1.209 7.329 -0.915 1.00 0.00 H new ATOM 0 HB2 SER A 232 -1.744 5.070 1.097 1.00 0.00 H new ATOM 0 HB3 SER A 232 -0.598 6.382 1.294 1.00 0.00 H new ATOM 0 HG SER A 232 -3.326 6.358 1.731 1.00 0.00 H new ATOM 999 N ILE A 233 -1.065 4.233 -1.784 1.00 0.00 N ATOM 1000 CA ILE A 233 -0.171 3.238 -2.448 1.00 0.00 C ATOM 1001 C ILE A 233 -0.613 3.047 -3.904 1.00 0.00 C ATOM 1002 O ILE A 233 -0.132 2.177 -4.602 1.00 0.00 O ATOM 1003 CB ILE A 233 -0.278 1.922 -1.623 1.00 0.00 C ATOM 1004 CG1 ILE A 233 -0.569 0.722 -2.534 1.00 0.00 C ATOM 1005 CG2 ILE A 233 -1.378 2.009 -0.562 1.00 0.00 C ATOM 1006 CD1 ILE A 233 -0.862 -0.508 -1.674 1.00 0.00 C ATOM 0 H ILE A 233 -2.050 3.971 -1.740 1.00 0.00 H new ATOM 0 HA ILE A 233 0.868 3.568 -2.475 1.00 0.00 H new ATOM 0 HB ILE A 233 0.684 1.784 -1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 233 -1.420 0.939 -3.180 1.00 0.00 H new ATOM 0 HG13 ILE A 233 0.284 0.530 -3.185 1.00 0.00 H new ATOM 0 HG21 ILE A 233 -1.423 1.072 -0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 233 -1.158 2.827 0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 233 -2.338 2.189 -1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 233 -1.069 -1.362 -2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 233 0.002 -0.728 -1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 233 -1.728 -0.312 -1.042 1.00 0.00 H new ATOM 1018 N GLY A 234 -1.522 3.861 -4.369 1.00 0.00 N ATOM 1019 CA GLY A 234 -1.987 3.730 -5.777 1.00 0.00 C ATOM 1020 C GLY A 234 -1.134 4.621 -6.678 1.00 0.00 C ATOM 1021 O GLY A 234 -1.631 5.512 -7.337 1.00 0.00 O ATOM 0 H GLY A 234 -1.962 4.610 -3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 234 -1.915 2.692 -6.100 1.00 0.00 H new ATOM 0 HA3 GLY A 234 -3.036 4.015 -5.853 1.00 0.00 H new ATOM 1025 N GLN A 235 0.150 4.391 -6.712 1.00 0.00 N ATOM 1026 CA GLN A 235 1.032 5.231 -7.572 1.00 0.00 C ATOM 1027 C GLN A 235 2.497 4.813 -7.407 1.00 0.00 C ATOM 1028 O GLN A 235 3.395 5.626 -7.496 1.00 0.00 O ATOM 1029 CB GLN A 235 0.826 6.666 -7.077 1.00 0.00 C ATOM 1030 CG GLN A 235 0.745 6.679 -5.547 1.00 0.00 C ATOM 1031 CD GLN A 235 1.305 7.998 -5.014 1.00 0.00 C ATOM 1032 OE1 GLN A 235 1.698 8.857 -5.777 1.00 0.00 O ATOM 1033 NE2 GLN A 235 1.356 8.195 -3.725 1.00 0.00 N ATOM 0 H GLN A 235 0.626 3.660 -6.183 1.00 0.00 H new ATOM 0 HA GLN A 235 0.791 5.125 -8.630 1.00 0.00 H new ATOM 0 HB2 GLN A 235 1.648 7.298 -7.412 1.00 0.00 H new ATOM 0 HB3 GLN A 235 -0.088 7.080 -7.503 1.00 0.00 H new ATOM 0 HG2 GLN A 235 -0.290 6.556 -5.227 1.00 0.00 H new ATOM 0 HG3 GLN A 235 1.308 5.841 -5.136 1.00 0.00 H new ATOM 0 HE21 GLN A 235 1.026 7.473 -3.085 1.00 0.00 H new ATOM 0 HE22 GLN A 235 1.726 9.071 -3.357 1.00 0.00 H new ATOM 1042 N VAL A 236 2.743 3.555 -7.169 1.00 0.00 N ATOM 1043 CA VAL A 236 4.151 3.088 -7.002 1.00 0.00 C ATOM 1044 C VAL A 236 4.232 1.583 -7.254 1.00 0.00 C ATOM 1045 O VAL A 236 4.888 0.857 -6.534 1.00 0.00 O ATOM 1046 CB VAL A 236 4.505 3.403 -5.549 1.00 0.00 C ATOM 1047 CG1 VAL A 236 4.732 4.907 -5.391 1.00 0.00 C ATOM 1048 CG2 VAL A 236 3.355 2.964 -4.640 1.00 0.00 C ATOM 0 H VAL A 236 2.032 2.829 -7.083 1.00 0.00 H new ATOM 0 HA VAL A 236 4.834 3.571 -7.701 1.00 0.00 H new ATOM 0 HB VAL A 236 5.414 2.869 -5.273 1.00 0.00 H new ATOM 0 HG11 VAL A 236 4.984 5.130 -4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 236 5.550 5.222 -6.039 1.00 0.00 H new ATOM 0 HG13 VAL A 236 3.824 5.443 -5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 236 3.605 3.188 -3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 236 2.447 3.499 -4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 236 3.192 1.892 -4.751 1.00 0.00 H new ATOM 1058 N ARG A 237 3.553 1.104 -8.265 1.00 0.00 N ATOM 1059 CA ARG A 237 3.569 -0.360 -8.561 1.00 0.00 C ATOM 1060 C ARG A 237 2.765 -1.118 -7.499 1.00 0.00 C ATOM 1061 O ARG A 237 2.633 -2.329 -7.546 1.00 0.00 O ATOM 1062 CB ARG A 237 5.042 -0.771 -8.515 1.00 0.00 C ATOM 1063 CG ARG A 237 5.240 -2.048 -9.333 1.00 0.00 C ATOM 1064 CD ARG A 237 6.530 -1.938 -10.147 1.00 0.00 C ATOM 1065 NE ARG A 237 7.624 -2.165 -9.163 1.00 0.00 N ATOM 1066 CZ ARG A 237 8.564 -3.032 -9.423 1.00 0.00 C ATOM 1067 NH1 ARG A 237 8.255 -4.272 -9.686 1.00 0.00 N ATOM 1068 NH2 ARG A 237 9.815 -2.659 -9.420 1.00 0.00 N ATOM 0 H ARG A 237 2.986 1.666 -8.900 1.00 0.00 H new ATOM 0 HA ARG A 237 3.120 -0.588 -9.528 1.00 0.00 H new ATOM 0 HB2 ARG A 237 5.667 0.029 -8.913 1.00 0.00 H new ATOM 0 HB3 ARG A 237 5.353 -0.935 -7.483 1.00 0.00 H new ATOM 0 HG2 ARG A 237 5.288 -2.913 -8.671 1.00 0.00 H new ATOM 0 HG3 ARG A 237 4.390 -2.202 -9.998 1.00 0.00 H new ATOM 0 HD2 ARG A 237 6.557 -2.679 -10.946 1.00 0.00 H new ATOM 0 HD3 ARG A 237 6.618 -0.959 -10.617 1.00 0.00 H new ATOM 0 HE ARG A 237 7.639 -1.643 -8.287 1.00 0.00 H new ATOM 0 HH11 ARG A 237 7.278 -4.565 -9.689 1.00 0.00 H new ATOM 0 HH12 ARG A 237 8.991 -4.949 -9.889 1.00 0.00 H new ATOM 0 HH21 ARG A 237 10.058 -1.690 -9.214 1.00 0.00 H new ATOM 0 HH22 ARG A 237 10.550 -3.337 -9.623 1.00 0.00 H new ATOM 1082 N GLY A 238 2.219 -0.412 -6.543 1.00 0.00 N ATOM 1083 CA GLY A 238 1.423 -1.084 -5.486 1.00 0.00 C ATOM 1084 C GLY A 238 0.145 -1.634 -6.101 1.00 0.00 C ATOM 1085 O GLY A 238 -0.106 -2.815 -6.070 1.00 0.00 O ATOM 0 H GLY A 238 2.293 0.601 -6.453 1.00 0.00 H new ATOM 0 HA2 GLY A 238 2.001 -1.891 -5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.184 -0.379 -4.689 1.00 0.00 H new ATOM 1089 N LEU A 239 -0.663 -0.786 -6.665 1.00 0.00 N ATOM 1090 CA LEU A 239 -1.925 -1.268 -7.283 1.00 0.00 C ATOM 1091 C LEU A 239 -1.668 -2.538 -8.092 1.00 0.00 C ATOM 1092 O LEU A 239 -2.520 -3.393 -8.197 1.00 0.00 O ATOM 1093 CB LEU A 239 -2.383 -0.128 -8.191 1.00 0.00 C ATOM 1094 CG LEU A 239 -3.176 0.883 -7.365 1.00 0.00 C ATOM 1095 CD1 LEU A 239 -3.323 2.187 -8.151 1.00 0.00 C ATOM 1096 CD2 LEU A 239 -4.562 0.311 -7.057 1.00 0.00 C ATOM 0 H LEU A 239 -0.505 0.220 -6.725 1.00 0.00 H new ATOM 0 HA LEU A 239 -2.680 -1.520 -6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 239 -1.521 0.356 -8.651 1.00 0.00 H new ATOM 0 HB3 LEU A 239 -3.000 -0.517 -9.001 1.00 0.00 H new ATOM 0 HG LEU A 239 -2.649 1.083 -6.432 1.00 0.00 H new ATOM 0 HD11 LEU A 239 -3.889 2.907 -7.559 1.00 0.00 H new ATOM 0 HD12 LEU A 239 -2.335 2.594 -8.369 1.00 0.00 H new ATOM 0 HD13 LEU A 239 -3.849 1.991 -9.085 1.00 0.00 H new ATOM 0 HD21 LEU A 239 -5.130 1.031 -6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 239 -5.088 0.110 -7.990 1.00 0.00 H new ATOM 0 HD23 LEU A 239 -4.456 -0.616 -6.494 1.00 0.00 H new ATOM 1108 N LYS A 240 -0.501 -2.678 -8.660 1.00 0.00 N ATOM 1109 CA LYS A 240 -0.217 -3.909 -9.447 1.00 0.00 C ATOM 1110 C LYS A 240 -0.136 -5.112 -8.511 1.00 0.00 C ATOM 1111 O LYS A 240 -0.908 -6.045 -8.618 1.00 0.00 O ATOM 1112 CB LYS A 240 1.127 -3.662 -10.126 1.00 0.00 C ATOM 1113 CG LYS A 240 1.200 -4.487 -11.411 1.00 0.00 C ATOM 1114 CD LYS A 240 2.074 -5.720 -11.178 1.00 0.00 C ATOM 1115 CE LYS A 240 3.393 -5.560 -11.937 1.00 0.00 C ATOM 1116 NZ LYS A 240 4.288 -6.610 -11.379 1.00 0.00 N ATOM 0 H LYS A 240 0.260 -2.000 -8.614 1.00 0.00 H new ATOM 0 HA LYS A 240 -0.997 -4.120 -10.179 1.00 0.00 H new ATOM 0 HB2 LYS A 240 1.244 -2.602 -10.353 1.00 0.00 H new ATOM 0 HB3 LYS A 240 1.942 -3.937 -9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 240 0.199 -4.791 -11.718 1.00 0.00 H new ATOM 0 HG3 LYS A 240 1.612 -3.884 -12.220 1.00 0.00 H new ATOM 0 HD2 LYS A 240 2.268 -5.846 -10.113 1.00 0.00 H new ATOM 0 HD3 LYS A 240 1.554 -6.617 -11.515 1.00 0.00 H new ATOM 0 HE2 LYS A 240 3.250 -5.692 -13.009 1.00 0.00 H new ATOM 0 HE3 LYS A 240 3.814 -4.565 -11.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 5.214 -6.564 -11.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 4.411 -6.454 -10.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 3.865 -7.547 -11.538 1.00 0.00 H new ATOM 1130 N ARG A 241 0.775 -5.094 -7.577 1.00 0.00 N ATOM 1131 CA ARG A 241 0.868 -6.240 -6.629 1.00 0.00 C ATOM 1132 C ARG A 241 -0.329 -6.194 -5.683 1.00 0.00 C ATOM 1133 O ARG A 241 -0.758 -7.196 -5.147 1.00 0.00 O ATOM 1134 CB ARG A 241 2.179 -6.040 -5.872 1.00 0.00 C ATOM 1135 CG ARG A 241 3.307 -6.760 -6.612 1.00 0.00 C ATOM 1136 CD ARG A 241 4.469 -7.022 -5.649 1.00 0.00 C ATOM 1137 NE ARG A 241 4.606 -8.504 -5.606 1.00 0.00 N ATOM 1138 CZ ARG A 241 4.886 -9.166 -6.695 1.00 0.00 C ATOM 1139 NH1 ARG A 241 6.047 -9.015 -7.270 1.00 0.00 N ATOM 1140 NH2 ARG A 241 4.005 -9.981 -7.207 1.00 0.00 N ATOM 0 H ARG A 241 1.452 -4.345 -7.430 1.00 0.00 H new ATOM 0 HA ARG A 241 0.856 -7.209 -7.128 1.00 0.00 H new ATOM 0 HB2 ARG A 241 2.405 -4.977 -5.788 1.00 0.00 H new ATOM 0 HB3 ARG A 241 2.089 -6.428 -4.857 1.00 0.00 H new ATOM 0 HG2 ARG A 241 2.943 -7.702 -7.023 1.00 0.00 H new ATOM 0 HG3 ARG A 241 3.648 -6.156 -7.453 1.00 0.00 H new ATOM 0 HD2 ARG A 241 5.387 -6.551 -6.000 1.00 0.00 H new ATOM 0 HD3 ARG A 241 4.261 -6.616 -4.659 1.00 0.00 H new ATOM 0 HE ARG A 241 4.481 -9.002 -4.725 1.00 0.00 H new ATOM 0 HH11 ARG A 241 6.736 -8.379 -6.868 1.00 0.00 H new ATOM 0 HH12 ARG A 241 6.266 -9.533 -8.121 1.00 0.00 H new ATOM 0 HH21 ARG A 241 3.098 -10.100 -6.756 1.00 0.00 H new ATOM 0 HH22 ARG A 241 4.223 -10.499 -8.058 1.00 0.00 H new ATOM 1154 N LEU A 242 -0.889 -5.030 -5.507 1.00 0.00 N ATOM 1155 CA LEU A 242 -2.081 -4.892 -4.635 1.00 0.00 C ATOM 1156 C LEU A 242 -3.284 -5.438 -5.391 1.00 0.00 C ATOM 1157 O LEU A 242 -4.145 -6.088 -4.834 1.00 0.00 O ATOM 1158 CB LEU A 242 -2.225 -3.384 -4.407 1.00 0.00 C ATOM 1159 CG LEU A 242 -3.043 -3.113 -3.141 1.00 0.00 C ATOM 1160 CD1 LEU A 242 -4.236 -4.067 -3.081 1.00 0.00 C ATOM 1161 CD2 LEU A 242 -2.163 -3.318 -1.905 1.00 0.00 C ATOM 0 H LEU A 242 -0.566 -4.162 -5.935 1.00 0.00 H new ATOM 0 HA LEU A 242 -1.999 -5.430 -3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -1.239 -2.927 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -2.711 -2.924 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 242 -3.404 -2.085 -3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -4.814 -3.870 -2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -4.867 -3.916 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -3.878 -5.096 -3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -2.748 -3.124 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -1.796 -4.344 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.317 -2.631 -1.943 1.00 0.00 H new ATOM 1173 N ASP A 243 -3.328 -5.195 -6.672 1.00 0.00 N ATOM 1174 CA ASP A 243 -4.461 -5.726 -7.482 1.00 0.00 C ATOM 1175 C ASP A 243 -4.406 -7.250 -7.444 1.00 0.00 C ATOM 1176 O ASP A 243 -5.388 -7.914 -7.183 1.00 0.00 O ATOM 1177 CB ASP A 243 -4.231 -5.218 -8.908 1.00 0.00 C ATOM 1178 CG ASP A 243 -4.886 -3.845 -9.072 1.00 0.00 C ATOM 1179 OD1 ASP A 243 -5.524 -3.398 -8.133 1.00 0.00 O ATOM 1180 OD2 ASP A 243 -4.738 -3.263 -10.135 1.00 0.00 O ATOM 0 H ASP A 243 -2.634 -4.656 -7.190 1.00 0.00 H new ATOM 0 HA ASP A 243 -5.434 -5.406 -7.109 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -3.163 -5.150 -9.113 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -4.650 -5.921 -9.628 1.00 0.00 H new ATOM 1185 N ASN A 244 -3.248 -7.804 -7.684 1.00 0.00 N ATOM 1186 CA ASN A 244 -3.111 -9.284 -7.642 1.00 0.00 C ATOM 1187 C ASN A 244 -3.388 -9.775 -6.220 1.00 0.00 C ATOM 1188 O ASN A 244 -3.781 -10.904 -6.008 1.00 0.00 O ATOM 1189 CB ASN A 244 -1.660 -9.562 -8.037 1.00 0.00 C ATOM 1190 CG ASN A 244 -1.629 -10.518 -9.228 1.00 0.00 C ATOM 1191 OD1 ASN A 244 -2.323 -11.515 -9.241 1.00 0.00 O ATOM 1192 ND2 ASN A 244 -0.846 -10.256 -10.239 1.00 0.00 N ATOM 0 H ASN A 244 -2.393 -7.294 -7.907 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.809 -9.793 -8.307 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -1.157 -8.630 -8.293 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -1.120 -9.995 -7.195 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -0.817 -10.888 -11.039 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -0.263 -9.419 -10.229 1.00 0.00 H new ATOM 1199 N TYR A 245 -3.206 -8.927 -5.243 1.00 0.00 N ATOM 1200 CA TYR A 245 -3.486 -9.346 -3.849 1.00 0.00 C ATOM 1201 C TYR A 245 -4.989 -9.264 -3.615 1.00 0.00 C ATOM 1202 O TYR A 245 -5.588 -10.133 -3.015 1.00 0.00 O ATOM 1203 CB TYR A 245 -2.748 -8.344 -2.964 1.00 0.00 C ATOM 1204 CG TYR A 245 -3.222 -8.513 -1.544 1.00 0.00 C ATOM 1205 CD1 TYR A 245 -4.366 -7.837 -1.104 1.00 0.00 C ATOM 1206 CD2 TYR A 245 -2.524 -9.354 -0.670 1.00 0.00 C ATOM 1207 CE1 TYR A 245 -4.812 -8.001 0.212 1.00 0.00 C ATOM 1208 CE2 TYR A 245 -2.970 -9.520 0.645 1.00 0.00 C ATOM 1209 CZ TYR A 245 -4.112 -8.843 1.086 1.00 0.00 C ATOM 1210 OH TYR A 245 -4.551 -9.008 2.382 1.00 0.00 O ATOM 0 H TYR A 245 -2.877 -7.968 -5.354 1.00 0.00 H new ATOM 0 HA TYR A 245 -3.163 -10.365 -3.636 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -1.672 -8.507 -3.025 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -2.936 -7.327 -3.307 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -4.904 -7.189 -1.780 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -1.641 -9.875 -1.011 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -5.694 -7.480 0.553 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -2.433 -10.170 1.320 1.00 0.00 H new ATOM 0 HH TYR A 245 -4.484 -9.953 2.632 1.00 0.00 H new ATOM 1220 N CYS A 246 -5.605 -8.224 -4.106 1.00 0.00 N ATOM 1221 CA CYS A 246 -7.070 -8.078 -3.938 1.00 0.00 C ATOM 1222 C CYS A 246 -7.777 -9.199 -4.695 1.00 0.00 C ATOM 1223 O CYS A 246 -8.814 -9.682 -4.290 1.00 0.00 O ATOM 1224 CB CYS A 246 -7.408 -6.718 -4.546 1.00 0.00 C ATOM 1225 SG CYS A 246 -7.046 -5.412 -3.348 1.00 0.00 S ATOM 0 H CYS A 246 -5.151 -7.468 -4.618 1.00 0.00 H new ATOM 0 HA CYS A 246 -7.385 -8.137 -2.896 1.00 0.00 H new ATOM 0 HB2 CYS A 246 -6.829 -6.561 -5.456 1.00 0.00 H new ATOM 0 HB3 CYS A 246 -8.460 -6.686 -4.828 1.00 0.00 H new ATOM 0 HG CYS A 246 -6.406 -5.917 -2.336 1.00 0.00 H new ATOM 1231 N LYS A 247 -7.213 -9.619 -5.793 1.00 0.00 N ATOM 1232 CA LYS A 247 -7.843 -10.716 -6.575 1.00 0.00 C ATOM 1233 C LYS A 247 -7.489 -12.060 -5.934 1.00 0.00 C ATOM 1234 O LYS A 247 -8.206 -13.033 -6.064 1.00 0.00 O ATOM 1235 CB LYS A 247 -7.263 -10.582 -7.995 1.00 0.00 C ATOM 1236 CG LYS A 247 -5.968 -11.390 -8.132 1.00 0.00 C ATOM 1237 CD LYS A 247 -5.525 -11.403 -9.598 1.00 0.00 C ATOM 1238 CE LYS A 247 -5.771 -12.790 -10.197 1.00 0.00 C ATOM 1239 NZ LYS A 247 -4.779 -13.678 -9.529 1.00 0.00 N ATOM 0 H LYS A 247 -6.345 -9.250 -6.181 1.00 0.00 H new ATOM 0 HA LYS A 247 -8.931 -10.660 -6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -7.993 -10.930 -8.725 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -7.067 -9.533 -8.215 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -5.187 -10.953 -7.509 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -6.124 -12.410 -7.779 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -6.076 -10.650 -10.161 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -4.468 -11.146 -9.671 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -6.791 -13.126 -10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -5.631 -12.784 -11.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -4.515 -14.450 -10.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -3.931 -13.128 -9.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -5.197 -14.076 -8.664 1.00 0.00 H new ATOM 1253 N GLN A 248 -6.393 -12.109 -5.230 1.00 0.00 N ATOM 1254 CA GLN A 248 -5.990 -13.376 -4.561 1.00 0.00 C ATOM 1255 C GLN A 248 -6.485 -13.371 -3.112 1.00 0.00 C ATOM 1256 O GLN A 248 -6.379 -14.354 -2.406 1.00 0.00 O ATOM 1257 CB GLN A 248 -4.461 -13.377 -4.603 1.00 0.00 C ATOM 1258 CG GLN A 248 -3.947 -14.815 -4.529 1.00 0.00 C ATOM 1259 CD GLN A 248 -4.365 -15.574 -5.790 1.00 0.00 C ATOM 1260 OE1 GLN A 248 -5.443 -16.309 -5.768 1.00 0.00 O flip ATOM 1261 NE2 GLN A 248 -3.702 -15.498 -6.807 1.00 0.00 N flip ATOM 0 H GLN A 248 -5.758 -11.324 -5.089 1.00 0.00 H new ATOM 0 HA GLN A 248 -6.409 -14.258 -5.046 1.00 0.00 H new ATOM 0 HB2 GLN A 248 -4.112 -12.902 -5.520 1.00 0.00 H new ATOM 0 HB3 GLN A 248 -4.064 -12.795 -3.771 1.00 0.00 H new ATOM 0 HG2 GLN A 248 -2.861 -14.819 -4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 248 -4.348 -15.310 -3.644 1.00 0.00 H new ATOM 0 HE21 GLN A 248 -2.859 -14.924 -6.825 1.00 0.00 H new ATOM 0 HE22 GLN A 248 -3.989 -16.009 -7.642 1.00 0.00 H new ATOM 1270 N PHE A 249 -7.014 -12.263 -2.659 1.00 0.00 N ATOM 1271 CA PHE A 249 -7.502 -12.196 -1.252 1.00 0.00 C ATOM 1272 C PHE A 249 -8.860 -11.486 -1.161 1.00 0.00 C ATOM 1273 O PHE A 249 -9.536 -11.570 -0.154 1.00 0.00 O ATOM 1274 CB PHE A 249 -6.437 -11.395 -0.503 1.00 0.00 C ATOM 1275 CG PHE A 249 -5.188 -12.231 -0.353 1.00 0.00 C ATOM 1276 CD1 PHE A 249 -5.202 -13.367 0.464 1.00 0.00 C ATOM 1277 CD2 PHE A 249 -4.017 -11.870 -1.031 1.00 0.00 C ATOM 1278 CE1 PHE A 249 -4.046 -14.143 0.605 1.00 0.00 C ATOM 1279 CE2 PHE A 249 -2.860 -12.646 -0.889 1.00 0.00 C ATOM 1280 CZ PHE A 249 -2.875 -13.782 -0.071 1.00 0.00 C ATOM 0 H PHE A 249 -7.128 -11.406 -3.201 1.00 0.00 H new ATOM 0 HA PHE A 249 -7.649 -13.192 -0.835 1.00 0.00 H new ATOM 0 HB2 PHE A 249 -6.210 -10.477 -1.045 1.00 0.00 H new ATOM 0 HB3 PHE A 249 -6.811 -11.102 0.478 1.00 0.00 H new ATOM 0 HD1 PHE A 249 -6.106 -13.645 0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 249 -4.006 -10.994 -1.663 1.00 0.00 H new ATOM 0 HE1 PHE A 249 -4.058 -15.020 1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 249 -1.956 -12.368 -1.411 1.00 0.00 H new ATOM 0 HZ PHE A 249 -1.982 -14.380 0.038 1.00 0.00 H new ATOM 1290 N ILE A 250 -9.277 -10.780 -2.183 1.00 0.00 N ATOM 1291 CA ILE A 250 -10.594 -10.082 -2.089 1.00 0.00 C ATOM 1292 C ILE A 250 -11.481 -10.418 -3.296 1.00 0.00 C ATOM 1293 O ILE A 250 -12.661 -10.135 -3.301 1.00 0.00 O ATOM 1294 CB ILE A 250 -10.248 -8.589 -2.039 1.00 0.00 C ATOM 1295 CG1 ILE A 250 -9.959 -8.193 -0.590 1.00 0.00 C ATOM 1296 CG2 ILE A 250 -11.423 -7.753 -2.550 1.00 0.00 C ATOM 1297 CD1 ILE A 250 -8.541 -7.630 -0.480 1.00 0.00 C ATOM 0 H ILE A 250 -8.773 -10.658 -3.062 1.00 0.00 H new ATOM 0 HA ILE A 250 -11.163 -10.391 -1.212 1.00 0.00 H new ATOM 0 HB ILE A 250 -9.377 -8.407 -2.668 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -10.682 -7.449 -0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -10.068 -9.060 0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -11.162 -6.695 -2.508 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -11.647 -8.031 -3.580 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -12.298 -7.936 -1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -8.340 -7.349 0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -7.823 -8.387 -0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -8.448 -6.752 -1.119 1.00 0.00 H new ATOM 1309 N ILE A 251 -10.937 -11.021 -4.314 1.00 0.00 N ATOM 1310 CA ILE A 251 -11.777 -11.368 -5.497 1.00 0.00 C ATOM 1311 C ILE A 251 -11.310 -12.698 -6.099 1.00 0.00 C ATOM 1312 O ILE A 251 -11.083 -13.659 -5.392 1.00 0.00 O ATOM 1313 CB ILE A 251 -11.584 -10.215 -6.489 1.00 0.00 C ATOM 1314 CG1 ILE A 251 -11.486 -8.884 -5.734 1.00 0.00 C ATOM 1315 CG2 ILE A 251 -12.779 -10.160 -7.444 1.00 0.00 C ATOM 1316 CD1 ILE A 251 -11.377 -7.735 -6.737 1.00 0.00 C ATOM 0 H ILE A 251 -9.955 -11.288 -4.381 1.00 0.00 H new ATOM 0 HA ILE A 251 -12.828 -11.492 -5.236 1.00 0.00 H new ATOM 0 HB ILE A 251 -10.665 -10.381 -7.051 1.00 0.00 H new ATOM 0 HG12 ILE A 251 -12.363 -8.747 -5.102 1.00 0.00 H new ATOM 0 HG13 ILE A 251 -10.617 -8.890 -5.076 1.00 0.00 H new ATOM 0 HG21 ILE A 251 -12.643 -9.341 -8.150 1.00 0.00 H new ATOM 0 HG22 ILE A 251 -12.852 -11.101 -7.990 1.00 0.00 H new ATOM 0 HG23 ILE A 251 -13.694 -9.999 -6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 251 -11.307 -6.789 -6.200 1.00 0.00 H new ATOM 0 HD12 ILE A 251 -10.486 -7.871 -7.350 1.00 0.00 H new ATOM 0 HD13 ILE A 251 -12.260 -7.725 -7.376 1.00 0.00 H new