USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 493 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 Single : A 10 MET CE :methyl 180:sc= -2.62! (180deg=-2.62!) USER MOD Single : A 16 MET CE :methyl 170:sc= -5.54! (180deg=-6.08!) USER MOD Single : A 24 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.057) USER MOD Single : A 25 CYS SG : rot 170:sc= -1.15 USER MOD Single : A 32 MET CE :methyl 164:sc= -0.022 (180deg=-0.301) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -5.83! C(o=-5.8!,f=-5.3!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS :FLIP no HE2:sc=-0.00334 F(o=-0.8,f=-0.0033) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.0175 X(o=-0.017,f=-0.33) USER MOD Single : A 66 HIS :FLIP no HD1:sc= -2.51 F(o=-3.8!,f=-2.5) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 99:sc= 0.784 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -1.261 -6.437 -17.456 1.00 0.00 N ATOM 67 CA ARG A 8 -2.583 -6.972 -17.151 1.00 0.00 C ATOM 68 C ARG A 8 -3.401 -7.160 -18.425 1.00 0.00 C ATOM 69 O ARG A 8 -3.601 -6.217 -19.189 1.00 0.00 O ATOM 70 CB ARG A 8 -3.323 -6.040 -16.189 1.00 0.00 C ATOM 71 CG ARG A 8 -2.540 -5.720 -14.926 1.00 0.00 C ATOM 72 CD ARG A 8 -2.899 -4.347 -14.381 1.00 0.00 C ATOM 73 NE ARG A 8 -1.953 -3.898 -13.363 1.00 0.00 N ATOM 74 CZ ARG A 8 -2.195 -2.895 -12.526 1.00 0.00 C ATOM 75 NH1 ARG A 8 -3.346 -2.241 -12.585 1.00 0.00 N ATOM 76 NH2 ARG A 8 -1.284 -2.546 -11.627 1.00 0.00 N ATOM 0 HA ARG A 8 -2.454 -7.945 -16.677 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -3.557 -5.110 -16.706 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.272 -6.498 -15.911 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.743 -6.478 -14.169 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.472 -5.760 -15.139 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.921 -3.627 -15.199 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.902 -4.377 -13.956 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.057 -4.381 -13.291 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.049 -2.507 -13.274 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.529 -1.471 -11.941 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.397 -3.048 -11.578 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.470 -1.776 -10.985 1.00 0.00 H new ATOM 90 N GLU A 9 -3.871 -8.384 -18.645 1.00 0.00 N ATOM 91 CA GLU A 9 -4.666 -8.695 -19.827 1.00 0.00 C ATOM 92 C GLU A 9 -6.153 -8.731 -19.489 1.00 0.00 C ATOM 93 O GLU A 9 -6.532 -8.865 -18.326 1.00 0.00 O ATOM 94 CB GLU A 9 -4.234 -10.037 -20.421 1.00 0.00 C ATOM 95 CG GLU A 9 -2.992 -9.947 -21.291 1.00 0.00 C ATOM 96 CD GLU A 9 -3.184 -9.037 -22.489 1.00 0.00 C ATOM 97 OE1 GLU A 9 -4.018 -9.368 -23.357 1.00 0.00 O ATOM 98 OE2 GLU A 9 -2.500 -7.995 -22.558 1.00 0.00 O ATOM 0 H GLU A 9 -3.715 -9.175 -18.021 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.498 -7.909 -20.563 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.048 -10.741 -19.610 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.054 -10.443 -21.014 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.159 -9.581 -20.691 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.722 -10.945 -21.637 1.00 0.00 H new ATOM 105 N MET A 10 -6.990 -8.609 -20.513 1.00 0.00 N ATOM 106 CA MET A 10 -8.436 -8.628 -20.325 1.00 0.00 C ATOM 107 C MET A 10 -9.120 -9.408 -21.443 1.00 0.00 C ATOM 108 O MET A 10 -8.766 -9.272 -22.614 1.00 0.00 O ATOM 109 CB MET A 10 -8.984 -7.201 -20.273 1.00 0.00 C ATOM 110 CG MET A 10 -8.253 -6.304 -19.287 1.00 0.00 C ATOM 111 SD MET A 10 -9.076 -4.718 -19.049 1.00 0.00 S ATOM 112 CE MET A 10 -9.290 -4.189 -20.746 1.00 0.00 C ATOM 0 H MET A 10 -6.692 -8.496 -21.482 1.00 0.00 H new ATOM 0 HA MET A 10 -8.647 -9.125 -19.378 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.921 -6.760 -21.268 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.040 -7.236 -20.006 1.00 0.00 H new ATOM 0 HG2 MET A 10 -8.173 -6.815 -18.327 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.237 -6.132 -19.642 1.00 0.00 H new ATOM 0 HE1 MET A 10 -9.788 -3.219 -20.765 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.315 -4.106 -21.227 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.898 -4.919 -21.281 1.00 0.00 H new ATOM 122 N GLY A 11 -10.102 -10.226 -21.075 1.00 0.00 N ATOM 123 CA GLY A 11 -10.819 -11.015 -22.059 1.00 0.00 C ATOM 124 C GLY A 11 -12.208 -11.400 -21.592 1.00 0.00 C ATOM 125 O GLY A 11 -12.785 -10.743 -20.725 1.00 0.00 O ATOM 0 H GLY A 11 -10.413 -10.356 -20.112 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.895 -10.450 -22.988 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.250 -11.918 -22.281 1.00 0.00 H new ATOM 129 N VAL A 12 -12.750 -12.468 -22.169 1.00 0.00 N ATOM 130 CA VAL A 12 -14.081 -12.940 -21.808 1.00 0.00 C ATOM 131 C VAL A 12 -14.052 -14.409 -21.401 1.00 0.00 C ATOM 132 O VAL A 12 -13.244 -15.188 -21.907 1.00 0.00 O ATOM 133 CB VAL A 12 -15.075 -12.761 -22.971 1.00 0.00 C ATOM 134 CG1 VAL A 12 -15.208 -11.291 -23.338 1.00 0.00 C ATOM 135 CG2 VAL A 12 -14.640 -13.583 -24.175 1.00 0.00 C ATOM 0 H VAL A 12 -12.287 -13.023 -22.889 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.411 -12.338 -20.962 1.00 0.00 H new ATOM 0 HB VAL A 12 -16.053 -13.120 -22.649 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.914 -11.184 -24.161 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.569 -10.732 -22.475 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.236 -10.902 -23.641 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.354 -13.445 -24.987 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.652 -13.257 -24.500 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.602 -14.637 -23.901 1.00 0.00 H new ATOM 145 N ILE A 13 -14.939 -14.781 -20.484 1.00 0.00 N ATOM 146 CA ILE A 13 -15.016 -16.157 -20.010 1.00 0.00 C ATOM 147 C ILE A 13 -15.889 -17.006 -20.927 1.00 0.00 C ATOM 148 O ILE A 13 -17.115 -16.996 -20.819 1.00 0.00 O ATOM 149 CB ILE A 13 -15.575 -16.229 -18.577 1.00 0.00 C ATOM 150 CG1 ILE A 13 -14.655 -15.480 -17.609 1.00 0.00 C ATOM 151 CG2 ILE A 13 -15.740 -17.678 -18.144 1.00 0.00 C ATOM 152 CD1 ILE A 13 -13.405 -16.250 -17.245 1.00 0.00 C ATOM 0 H ILE A 13 -15.614 -14.149 -20.055 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.999 -16.549 -20.014 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.555 -15.752 -18.561 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.368 -14.528 -18.056 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -15.209 -15.251 -16.699 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.136 -17.712 -17.129 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.430 -18.183 -18.820 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -14.772 -18.179 -18.173 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -12.801 -15.659 -16.557 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -13.683 -17.190 -16.769 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -12.829 -16.457 -18.147 1.00 0.00 H new ATOM 164 N ALA A 14 -15.249 -17.743 -21.830 1.00 0.00 N ATOM 165 CA ALA A 14 -15.967 -18.601 -22.764 1.00 0.00 C ATOM 166 C ALA A 14 -16.525 -19.833 -22.059 1.00 0.00 C ATOM 167 O ALA A 14 -17.516 -20.415 -22.499 1.00 0.00 O ATOM 168 CB ALA A 14 -15.054 -19.015 -23.909 1.00 0.00 C ATOM 0 H ALA A 14 -14.234 -17.763 -21.934 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.806 -18.034 -23.169 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.603 -19.656 -24.599 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.707 -18.127 -24.437 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.197 -19.560 -23.512 1.00 0.00 H new ATOM 174 N ALA A 15 -15.883 -20.224 -20.963 1.00 0.00 N ATOM 175 CA ALA A 15 -16.317 -21.386 -20.197 1.00 0.00 C ATOM 176 C ALA A 15 -15.879 -21.277 -18.740 1.00 0.00 C ATOM 177 O ALA A 15 -14.822 -20.723 -18.440 1.00 0.00 O ATOM 178 CB ALA A 15 -15.772 -22.662 -20.820 1.00 0.00 C ATOM 0 H ALA A 15 -15.061 -19.753 -20.586 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.406 -21.420 -20.220 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.104 -23.522 -20.238 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.138 -22.753 -21.843 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.683 -22.627 -20.827 1.00 0.00 H new ATOM 184 N MET A 16 -16.699 -21.810 -17.840 1.00 0.00 N ATOM 185 CA MET A 16 -16.395 -21.773 -16.414 1.00 0.00 C ATOM 186 C MET A 16 -17.128 -22.886 -15.673 1.00 0.00 C ATOM 187 O MET A 16 -18.157 -22.650 -15.039 1.00 0.00 O ATOM 188 CB MET A 16 -16.777 -20.414 -15.824 1.00 0.00 C ATOM 189 CG MET A 16 -18.258 -20.094 -15.945 1.00 0.00 C ATOM 190 SD MET A 16 -19.012 -19.684 -14.359 1.00 0.00 S ATOM 191 CE MET A 16 -18.016 -18.281 -13.864 1.00 0.00 C ATOM 0 H MET A 16 -17.578 -22.272 -18.072 1.00 0.00 H new ATOM 0 HA MET A 16 -15.322 -21.925 -16.293 1.00 0.00 H new ATOM 0 HB2 MET A 16 -16.493 -20.391 -14.772 1.00 0.00 H new ATOM 0 HB3 MET A 16 -16.203 -19.635 -16.326 1.00 0.00 H new ATOM 0 HG2 MET A 16 -18.390 -19.259 -16.633 1.00 0.00 H new ATOM 0 HG3 MET A 16 -18.776 -20.949 -16.379 1.00 0.00 H new ATOM 0 HE1 MET A 16 -18.466 -17.804 -12.993 1.00 0.00 H new ATOM 0 HE2 MET A 16 -17.011 -18.619 -13.613 1.00 0.00 H new ATOM 0 HE3 MET A 16 -17.964 -17.565 -14.684 1.00 0.00 H new ATOM 201 N ARG A 17 -16.592 -24.100 -15.757 1.00 0.00 N ATOM 202 CA ARG A 17 -17.197 -25.249 -15.095 1.00 0.00 C ATOM 203 C ARG A 17 -17.058 -25.140 -13.580 1.00 0.00 C ATOM 204 O ARG A 17 -16.623 -24.113 -13.059 1.00 0.00 O ATOM 205 CB ARG A 17 -16.550 -26.546 -15.585 1.00 0.00 C ATOM 206 CG ARG A 17 -16.497 -26.666 -17.100 1.00 0.00 C ATOM 207 CD ARG A 17 -17.876 -26.922 -17.687 1.00 0.00 C ATOM 208 NE ARG A 17 -18.777 -25.790 -17.482 1.00 0.00 N ATOM 209 CZ ARG A 17 -18.647 -24.625 -18.106 1.00 0.00 C ATOM 210 NH1 ARG A 17 -17.659 -24.439 -18.971 1.00 0.00 N ATOM 211 NH2 ARG A 17 -19.507 -23.643 -17.867 1.00 0.00 N ATOM 0 H ARG A 17 -15.741 -24.313 -16.277 1.00 0.00 H new ATOM 0 HA ARG A 17 -18.258 -25.263 -15.345 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.537 -26.609 -15.188 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.104 -27.394 -15.181 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.084 -25.751 -17.524 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.825 -27.478 -17.378 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -17.784 -27.123 -18.754 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -18.305 -27.814 -17.230 1.00 0.00 H new ATOM 0 HE ARG A 17 -19.548 -25.901 -16.824 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.997 -25.192 -19.158 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.561 -23.543 -19.449 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -20.269 -23.783 -17.203 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -19.406 -22.749 -18.347 1.00 0.00 H new ATOM 225 N ASP A 18 -17.430 -26.205 -12.878 1.00 0.00 N ATOM 226 CA ASP A 18 -17.346 -26.229 -11.422 1.00 0.00 C ATOM 227 C ASP A 18 -15.914 -26.486 -10.965 1.00 0.00 C ATOM 228 O ASP A 18 -15.511 -27.632 -10.767 1.00 0.00 O ATOM 229 CB ASP A 18 -18.277 -27.302 -10.854 1.00 0.00 C ATOM 230 CG ASP A 18 -17.912 -28.695 -11.329 1.00 0.00 C ATOM 231 OD1 ASP A 18 -18.207 -29.019 -12.498 1.00 0.00 O ATOM 232 OD2 ASP A 18 -17.333 -29.461 -10.531 1.00 0.00 O ATOM 0 H ASP A 18 -17.793 -27.063 -13.294 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.658 -25.254 -11.048 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -18.240 -27.271 -9.765 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -19.304 -27.079 -11.145 1.00 0.00 H new ATOM 237 N GLY A 19 -15.148 -25.412 -10.800 1.00 0.00 N ATOM 238 CA GLY A 19 -13.769 -25.543 -10.369 1.00 0.00 C ATOM 239 C GLY A 19 -12.815 -24.731 -11.222 1.00 0.00 C ATOM 240 O GLY A 19 -11.942 -24.036 -10.701 1.00 0.00 O ATOM 0 H GLY A 19 -15.458 -24.453 -10.957 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.684 -25.224 -9.330 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.479 -26.593 -10.404 1.00 0.00 H new ATOM 244 N PHE A 20 -12.979 -24.820 -12.538 1.00 0.00 N ATOM 245 CA PHE A 20 -12.123 -24.090 -13.466 1.00 0.00 C ATOM 246 C PHE A 20 -12.945 -23.477 -14.596 1.00 0.00 C ATOM 247 O PHE A 20 -14.172 -23.566 -14.605 1.00 0.00 O ATOM 248 CB PHE A 20 -11.053 -25.018 -14.044 1.00 0.00 C ATOM 249 CG PHE A 20 -11.501 -25.759 -15.271 1.00 0.00 C ATOM 250 CD1 PHE A 20 -12.335 -26.861 -15.166 1.00 0.00 C ATOM 251 CD2 PHE A 20 -11.088 -25.354 -16.530 1.00 0.00 C ATOM 252 CE1 PHE A 20 -12.749 -27.544 -16.293 1.00 0.00 C ATOM 253 CE2 PHE A 20 -11.500 -26.033 -17.661 1.00 0.00 C ATOM 254 CZ PHE A 20 -12.331 -27.131 -17.542 1.00 0.00 C ATOM 0 H PHE A 20 -13.697 -25.390 -12.986 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.636 -23.285 -12.916 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -10.167 -24.431 -14.287 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.758 -25.739 -13.281 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -12.665 -27.190 -14.192 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.437 -24.498 -16.629 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -13.399 -28.401 -16.197 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -11.173 -25.706 -18.637 1.00 0.00 H new ATOM 0 HZ PHE A 20 -12.653 -27.665 -18.424 1.00 0.00 H new ATOM 264 N GLY A 21 -12.258 -22.853 -15.548 1.00 0.00 N ATOM 265 CA GLY A 21 -12.940 -22.233 -16.670 1.00 0.00 C ATOM 266 C GLY A 21 -12.003 -21.931 -17.822 1.00 0.00 C ATOM 267 O GLY A 21 -11.041 -22.663 -18.059 1.00 0.00 O ATOM 0 H GLY A 21 -11.242 -22.766 -15.563 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.736 -22.892 -17.016 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.413 -21.309 -16.338 1.00 0.00 H new ATOM 271 N PHE A 22 -12.283 -20.850 -18.543 1.00 0.00 N ATOM 272 CA PHE A 22 -11.459 -20.453 -19.679 1.00 0.00 C ATOM 273 C PHE A 22 -11.667 -18.979 -20.013 1.00 0.00 C ATOM 274 O PHE A 22 -12.733 -18.418 -19.758 1.00 0.00 O ATOM 275 CB PHE A 22 -11.788 -21.316 -20.900 1.00 0.00 C ATOM 276 CG PHE A 22 -11.061 -22.630 -20.918 1.00 0.00 C ATOM 277 CD1 PHE A 22 -9.692 -22.683 -20.712 1.00 0.00 C ATOM 278 CD2 PHE A 22 -11.748 -23.813 -21.142 1.00 0.00 C ATOM 279 CE1 PHE A 22 -9.021 -23.891 -20.727 1.00 0.00 C ATOM 280 CE2 PHE A 22 -11.082 -25.024 -21.158 1.00 0.00 C ATOM 281 CZ PHE A 22 -9.716 -25.063 -20.952 1.00 0.00 C ATOM 0 H PHE A 22 -13.075 -20.233 -18.361 1.00 0.00 H new ATOM 0 HA PHE A 22 -10.414 -20.602 -19.408 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -12.862 -21.503 -20.924 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.541 -20.761 -21.805 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -9.143 -21.770 -20.538 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -12.815 -23.788 -21.306 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.954 -23.919 -20.563 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -11.629 -25.939 -21.331 1.00 0.00 H new ATOM 0 HZ PHE A 22 -9.193 -26.008 -20.967 1.00 0.00 H new ATOM 291 N ILE A 23 -10.641 -18.358 -20.585 1.00 0.00 N ATOM 292 CA ILE A 23 -10.710 -16.950 -20.954 1.00 0.00 C ATOM 293 C ILE A 23 -10.166 -16.723 -22.361 1.00 0.00 C ATOM 294 O ILE A 23 -8.972 -16.888 -22.611 1.00 0.00 O ATOM 295 CB ILE A 23 -9.926 -16.069 -19.964 1.00 0.00 C ATOM 296 CG1 ILE A 23 -10.496 -16.219 -18.552 1.00 0.00 C ATOM 297 CG2 ILE A 23 -9.965 -14.613 -20.405 1.00 0.00 C ATOM 298 CD1 ILE A 23 -9.508 -15.867 -17.462 1.00 0.00 C ATOM 0 H ILE A 23 -9.752 -18.808 -20.803 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.762 -16.667 -20.924 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.887 -16.397 -19.953 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.375 -15.582 -18.454 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.830 -17.247 -18.411 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.407 -14.003 -19.695 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.517 -14.520 -21.394 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.999 -14.272 -20.442 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.980 -15.996 -16.488 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.639 -16.521 -17.534 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.193 -14.830 -17.578 1.00 0.00 H new ATOM 310 N LYS A 24 -11.050 -16.342 -23.277 1.00 0.00 N ATOM 311 CA LYS A 24 -10.660 -16.088 -24.658 1.00 0.00 C ATOM 312 C LYS A 24 -9.901 -14.770 -24.776 1.00 0.00 C ATOM 313 O LYS A 24 -10.456 -13.699 -24.530 1.00 0.00 O ATOM 314 CB LYS A 24 -11.895 -16.060 -25.562 1.00 0.00 C ATOM 315 CG LYS A 24 -11.564 -16.022 -27.044 1.00 0.00 C ATOM 316 CD LYS A 24 -12.617 -15.260 -27.831 1.00 0.00 C ATOM 317 CE LYS A 24 -13.840 -16.123 -28.104 1.00 0.00 C ATOM 318 NZ LYS A 24 -13.582 -17.129 -29.171 1.00 0.00 N ATOM 0 H LYS A 24 -12.042 -16.202 -23.087 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.002 -16.896 -24.977 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.505 -16.940 -25.357 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.499 -15.188 -25.311 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.591 -15.553 -27.188 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.488 -17.040 -27.427 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.914 -14.370 -27.276 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.192 -14.920 -28.775 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.136 -16.633 -27.188 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.675 -15.487 -28.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.475 -17.592 -29.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.179 -16.655 -30.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.912 -17.843 -28.820 1.00 0.00 H new ATOM 332 N CYS A 25 -8.630 -14.857 -25.155 1.00 0.00 N ATOM 333 CA CYS A 25 -7.795 -13.671 -25.306 1.00 0.00 C ATOM 334 C CYS A 25 -8.142 -12.921 -26.588 1.00 0.00 C ATOM 335 O CYS A 25 -8.156 -13.501 -27.674 1.00 0.00 O ATOM 336 CB CYS A 25 -6.316 -14.060 -25.313 1.00 0.00 C ATOM 337 SG CYS A 25 -5.254 -12.944 -24.366 1.00 0.00 S ATOM 0 H CYS A 25 -8.156 -15.736 -25.363 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.986 -13.013 -24.458 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.215 -15.068 -24.911 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.964 -14.091 -26.344 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.069 -13.466 -24.252 1.00 0.00 H new ATOM 343 N VAL A 26 -8.424 -11.629 -26.455 1.00 0.00 N ATOM 344 CA VAL A 26 -8.772 -10.800 -27.602 1.00 0.00 C ATOM 345 C VAL A 26 -7.618 -10.722 -28.595 1.00 0.00 C ATOM 346 O VAL A 26 -7.830 -10.623 -29.803 1.00 0.00 O ATOM 347 CB VAL A 26 -9.158 -9.373 -27.167 1.00 0.00 C ATOM 348 CG1 VAL A 26 -10.469 -9.386 -26.397 1.00 0.00 C ATOM 349 CG2 VAL A 26 -8.047 -8.752 -26.335 1.00 0.00 C ATOM 0 H VAL A 26 -8.418 -11.134 -25.563 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.630 -11.270 -28.083 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.296 -8.764 -28.060 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.725 -8.370 -26.098 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.259 -9.788 -27.031 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.363 -10.010 -25.509 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.336 -7.744 -26.036 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.875 -9.359 -25.446 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.132 -8.707 -26.926 1.00 0.00 H new ATOM 359 N ASP A 27 -6.395 -10.768 -28.076 1.00 0.00 N ATOM 360 CA ASP A 27 -5.205 -10.705 -28.917 1.00 0.00 C ATOM 361 C ASP A 27 -4.677 -12.104 -29.217 1.00 0.00 C ATOM 362 O ASP A 27 -4.317 -12.412 -30.354 1.00 0.00 O ATOM 363 CB ASP A 27 -4.119 -9.871 -28.237 1.00 0.00 C ATOM 364 CG ASP A 27 -4.378 -8.381 -28.348 1.00 0.00 C ATOM 365 OD1 ASP A 27 -4.497 -7.883 -29.487 1.00 0.00 O ATOM 366 OD2 ASP A 27 -4.462 -7.714 -27.296 1.00 0.00 O ATOM 0 H ASP A 27 -6.202 -10.849 -27.078 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.480 -10.231 -29.859 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.057 -10.149 -27.185 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.153 -10.103 -28.685 1.00 0.00 H new ATOM 371 N ARG A 28 -4.632 -12.947 -28.191 1.00 0.00 N ATOM 372 CA ARG A 28 -4.146 -14.313 -28.344 1.00 0.00 C ATOM 373 C ARG A 28 -5.266 -15.241 -28.804 1.00 0.00 C ATOM 374 O ARG A 28 -6.440 -15.000 -28.521 1.00 0.00 O ATOM 375 CB ARG A 28 -3.558 -14.819 -27.025 1.00 0.00 C ATOM 376 CG ARG A 28 -2.040 -14.774 -26.978 1.00 0.00 C ATOM 377 CD ARG A 28 -1.489 -15.700 -25.905 1.00 0.00 C ATOM 378 NE ARG A 28 -0.044 -15.554 -25.745 1.00 0.00 N ATOM 379 CZ ARG A 28 0.526 -14.533 -25.116 1.00 0.00 C ATOM 380 NH1 ARG A 28 -0.222 -13.572 -24.590 1.00 0.00 N ATOM 381 NH2 ARG A 28 1.847 -14.470 -25.011 1.00 0.00 N ATOM 0 H ARG A 28 -4.926 -12.708 -27.244 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.365 -14.311 -29.104 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.956 -14.220 -26.206 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.888 -15.845 -26.860 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.636 -15.060 -27.949 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.711 -13.753 -26.784 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.982 -15.489 -24.956 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.723 -16.733 -26.163 1.00 0.00 H new ATOM 0 HE ARG A 28 0.560 -16.276 -26.138 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.238 -13.616 -24.668 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.219 -12.789 -24.107 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.426 -15.207 -25.414 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.283 -13.685 -24.528 1.00 0.00 H new ATOM 395 N ASP A 29 -4.895 -16.301 -29.513 1.00 0.00 N ATOM 396 CA ASP A 29 -5.869 -17.266 -30.012 1.00 0.00 C ATOM 397 C ASP A 29 -5.881 -18.522 -29.146 1.00 0.00 C ATOM 398 O ASP A 29 -6.135 -19.623 -29.635 1.00 0.00 O ATOM 399 CB ASP A 29 -5.556 -17.634 -31.463 1.00 0.00 C ATOM 400 CG ASP A 29 -6.780 -17.562 -32.355 1.00 0.00 C ATOM 401 OD1 ASP A 29 -7.568 -16.605 -32.205 1.00 0.00 O ATOM 402 OD2 ASP A 29 -6.948 -18.463 -33.204 1.00 0.00 O ATOM 0 H ASP A 29 -3.927 -16.514 -29.755 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.856 -16.806 -29.967 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.789 -16.962 -31.848 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.143 -18.642 -31.498 1.00 0.00 H new ATOM 407 N VAL A 30 -5.605 -18.349 -27.858 1.00 0.00 N ATOM 408 CA VAL A 30 -5.584 -19.468 -26.923 1.00 0.00 C ATOM 409 C VAL A 30 -6.190 -19.075 -25.581 1.00 0.00 C ATOM 410 O VAL A 30 -5.746 -18.120 -24.944 1.00 0.00 O ATOM 411 CB VAL A 30 -4.151 -19.983 -26.696 1.00 0.00 C ATOM 412 CG1 VAL A 30 -3.769 -20.992 -27.768 1.00 0.00 C ATOM 413 CG2 VAL A 30 -3.166 -18.823 -26.669 1.00 0.00 C ATOM 0 H VAL A 30 -5.393 -17.444 -27.437 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.181 -20.263 -27.369 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.113 -20.485 -25.729 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.753 -21.344 -27.590 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.457 -21.837 -27.734 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.823 -20.519 -28.749 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.158 -19.205 -26.508 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.204 -18.291 -27.619 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.429 -18.141 -25.860 1.00 0.00 H new ATOM 423 N ARG A 31 -7.208 -19.817 -25.157 1.00 0.00 N ATOM 424 CA ARG A 31 -7.876 -19.546 -23.890 1.00 0.00 C ATOM 425 C ARG A 31 -6.911 -19.712 -22.720 1.00 0.00 C ATOM 426 O ARG A 31 -5.879 -20.371 -22.843 1.00 0.00 O ATOM 427 CB ARG A 31 -9.076 -20.478 -23.712 1.00 0.00 C ATOM 428 CG ARG A 31 -10.097 -20.377 -24.833 1.00 0.00 C ATOM 429 CD ARG A 31 -10.544 -21.752 -25.304 1.00 0.00 C ATOM 430 NE ARG A 31 -11.694 -22.242 -24.549 1.00 0.00 N ATOM 431 CZ ARG A 31 -12.095 -23.509 -24.560 1.00 0.00 C ATOM 432 NH1 ARG A 31 -11.442 -24.408 -25.284 1.00 0.00 N ATOM 433 NH2 ARG A 31 -13.151 -23.878 -23.846 1.00 0.00 N ATOM 0 H ARG A 31 -7.588 -20.611 -25.673 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.226 -18.514 -23.906 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.720 -21.506 -23.648 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.565 -20.250 -22.765 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.962 -19.810 -24.489 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.667 -19.826 -25.670 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.798 -21.708 -26.363 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.718 -22.456 -25.204 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.218 -21.575 -23.982 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.630 -24.128 -25.834 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.752 -25.380 -25.291 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.656 -23.189 -23.288 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.458 -24.851 -23.855 1.00 0.00 H new ATOM 447 N MET A 32 -7.254 -19.109 -21.586 1.00 0.00 N ATOM 448 CA MET A 32 -6.418 -19.191 -20.394 1.00 0.00 C ATOM 449 C MET A 32 -7.098 -20.020 -19.309 1.00 0.00 C ATOM 450 O MET A 32 -8.282 -19.838 -19.026 1.00 0.00 O ATOM 451 CB MET A 32 -6.111 -17.790 -19.863 1.00 0.00 C ATOM 452 CG MET A 32 -5.166 -17.784 -18.672 1.00 0.00 C ATOM 453 SD MET A 32 -3.498 -18.312 -19.107 1.00 0.00 S ATOM 454 CE MET A 32 -2.934 -16.904 -20.058 1.00 0.00 C ATOM 0 H MET A 32 -8.105 -18.559 -21.468 1.00 0.00 H new ATOM 0 HA MET A 32 -5.484 -19.681 -20.669 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.675 -17.194 -20.665 1.00 0.00 H new ATOM 0 HB3 MET A 32 -7.045 -17.306 -19.578 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.127 -16.780 -18.249 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.560 -18.441 -17.897 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.849 -16.942 -20.156 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.389 -16.928 -21.048 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.220 -15.983 -19.549 1.00 0.00 H new ATOM 464 N PHE A 33 -6.342 -20.932 -18.706 1.00 0.00 N ATOM 465 CA PHE A 33 -6.873 -21.790 -17.653 1.00 0.00 C ATOM 466 C PHE A 33 -6.741 -21.121 -16.288 1.00 0.00 C ATOM 467 O PHE A 33 -5.648 -21.038 -15.728 1.00 0.00 O ATOM 468 CB PHE A 33 -6.144 -23.135 -17.647 1.00 0.00 C ATOM 469 CG PHE A 33 -6.846 -24.193 -16.845 1.00 0.00 C ATOM 470 CD1 PHE A 33 -7.077 -24.015 -15.490 1.00 0.00 C ATOM 471 CD2 PHE A 33 -7.275 -25.366 -17.445 1.00 0.00 C ATOM 472 CE1 PHE A 33 -7.722 -24.987 -14.749 1.00 0.00 C ATOM 473 CE2 PHE A 33 -7.921 -26.342 -16.709 1.00 0.00 C ATOM 474 CZ PHE A 33 -8.145 -26.151 -15.359 1.00 0.00 C ATOM 0 H PHE A 33 -5.360 -21.096 -18.929 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.931 -21.958 -17.854 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.032 -23.483 -18.674 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.140 -22.993 -17.247 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.749 -23.106 -15.008 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.103 -25.520 -18.500 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.895 -24.836 -13.694 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.250 -27.252 -17.188 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.650 -26.911 -14.782 1.00 0.00 H new ATOM 484 N PHE A 34 -7.863 -20.644 -15.759 1.00 0.00 N ATOM 485 CA PHE A 34 -7.874 -19.981 -14.460 1.00 0.00 C ATOM 486 C PHE A 34 -8.502 -20.877 -13.397 1.00 0.00 C ATOM 487 O PHE A 34 -9.239 -21.812 -13.713 1.00 0.00 O ATOM 488 CB PHE A 34 -8.639 -18.659 -14.546 1.00 0.00 C ATOM 489 CG PHE A 34 -10.128 -18.832 -14.638 1.00 0.00 C ATOM 490 CD1 PHE A 34 -10.890 -19.005 -13.494 1.00 0.00 C ATOM 491 CD2 PHE A 34 -10.765 -18.821 -15.868 1.00 0.00 C ATOM 492 CE1 PHE A 34 -12.261 -19.166 -13.576 1.00 0.00 C ATOM 493 CE2 PHE A 34 -12.135 -18.981 -15.956 1.00 0.00 C ATOM 494 CZ PHE A 34 -12.884 -19.153 -14.809 1.00 0.00 C ATOM 0 H PHE A 34 -8.776 -20.704 -16.210 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.842 -19.778 -14.175 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.405 -18.056 -13.669 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.291 -18.104 -15.417 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -10.408 -19.014 -12.528 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.184 -18.686 -16.769 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -12.844 -19.302 -12.677 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.619 -18.971 -16.921 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.955 -19.277 -14.876 1.00 0.00 H new ATOM 504 N HIS A 35 -8.205 -20.585 -12.135 1.00 0.00 N ATOM 505 CA HIS A 35 -8.741 -21.364 -11.024 1.00 0.00 C ATOM 506 C HIS A 35 -9.775 -20.558 -10.244 1.00 0.00 C ATOM 507 O HIS A 35 -9.747 -19.327 -10.244 1.00 0.00 O ATOM 508 CB HIS A 35 -7.612 -21.804 -10.091 1.00 0.00 C ATOM 509 CG HIS A 35 -6.813 -22.955 -10.619 1.00 0.00 C ATOM 510 ND1 HIS A 35 -7.009 -24.257 -10.209 1.00 0.00 N ATOM 511 CD2 HIS A 35 -5.813 -22.996 -11.530 1.00 0.00 C ATOM 512 CE1 HIS A 35 -6.163 -25.049 -10.844 1.00 0.00 C ATOM 513 NE2 HIS A 35 -5.426 -24.307 -11.652 1.00 0.00 N ATOM 0 H HIS A 35 -7.597 -19.815 -11.856 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.229 -22.248 -11.435 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.946 -20.959 -9.917 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.036 -22.079 -9.125 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.397 -22.153 -12.062 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.087 -26.120 -10.723 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.689 -24.653 -12.267 1.00 0.00 H new ATOM 521 N PHE A 36 -10.688 -21.260 -9.582 1.00 0.00 N ATOM 522 CA PHE A 36 -11.734 -20.610 -8.800 1.00 0.00 C ATOM 523 C PHE A 36 -11.219 -20.228 -7.415 1.00 0.00 C ATOM 524 O PHE A 36 -11.930 -20.359 -6.419 1.00 0.00 O ATOM 525 CB PHE A 36 -12.949 -21.531 -8.668 1.00 0.00 C ATOM 526 CG PHE A 36 -14.005 -21.281 -9.706 1.00 0.00 C ATOM 527 CD1 PHE A 36 -13.736 -21.483 -11.050 1.00 0.00 C ATOM 528 CD2 PHE A 36 -15.267 -20.844 -9.338 1.00 0.00 C ATOM 529 CE1 PHE A 36 -14.706 -21.253 -12.007 1.00 0.00 C ATOM 530 CE2 PHE A 36 -16.242 -20.613 -10.291 1.00 0.00 C ATOM 531 CZ PHE A 36 -15.961 -20.819 -11.627 1.00 0.00 C ATOM 0 H PHE A 36 -10.725 -22.279 -9.571 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.031 -19.701 -9.322 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.619 -22.567 -8.739 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -13.386 -21.403 -7.678 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.757 -21.824 -11.353 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -15.492 -20.682 -8.294 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -14.483 -21.413 -13.052 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -17.222 -20.272 -9.991 1.00 0.00 H new ATOM 0 HZ PHE A 36 -16.721 -20.641 -12.373 1.00 0.00 H new ATOM 541 N SER A 37 -9.978 -19.755 -7.361 1.00 0.00 N ATOM 542 CA SER A 37 -9.365 -19.357 -6.099 1.00 0.00 C ATOM 543 C SER A 37 -8.907 -17.903 -6.152 1.00 0.00 C ATOM 544 O SER A 37 -8.915 -17.202 -5.141 1.00 0.00 O ATOM 545 CB SER A 37 -8.178 -20.266 -5.776 1.00 0.00 C ATOM 546 OG SER A 37 -7.608 -19.934 -4.521 1.00 0.00 O ATOM 0 H SER A 37 -9.377 -19.638 -8.177 1.00 0.00 H new ATOM 0 HA SER A 37 -10.114 -19.455 -5.313 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.504 -21.306 -5.767 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.423 -20.175 -6.557 1.00 0.00 H new ATOM 0 HG SER A 37 -6.852 -20.530 -4.337 1.00 0.00 H new ATOM 552 N GLU A 38 -8.508 -17.457 -7.340 1.00 0.00 N ATOM 553 CA GLU A 38 -8.045 -16.087 -7.525 1.00 0.00 C ATOM 554 C GLU A 38 -9.225 -15.128 -7.662 1.00 0.00 C ATOM 555 O GLU A 38 -9.055 -13.909 -7.622 1.00 0.00 O ATOM 556 CB GLU A 38 -7.149 -15.990 -8.761 1.00 0.00 C ATOM 557 CG GLU A 38 -5.885 -16.828 -8.664 1.00 0.00 C ATOM 558 CD GLU A 38 -4.980 -16.389 -7.529 1.00 0.00 C ATOM 559 OE1 GLU A 38 -4.400 -15.288 -7.626 1.00 0.00 O ATOM 560 OE2 GLU A 38 -4.852 -17.146 -6.544 1.00 0.00 O ATOM 0 H GLU A 38 -8.496 -18.024 -8.187 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.468 -15.804 -6.644 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.717 -16.304 -9.637 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.872 -14.947 -8.918 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.157 -17.874 -8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.338 -16.765 -9.605 1.00 0.00 H new ATOM 567 N ILE A 39 -10.419 -15.688 -7.824 1.00 0.00 N ATOM 568 CA ILE A 39 -11.626 -14.884 -7.966 1.00 0.00 C ATOM 569 C ILE A 39 -11.995 -14.208 -6.650 1.00 0.00 C ATOM 570 O ILE A 39 -12.991 -13.488 -6.566 1.00 0.00 O ATOM 571 CB ILE A 39 -12.817 -15.736 -8.444 1.00 0.00 C ATOM 572 CG1 ILE A 39 -12.463 -16.461 -9.744 1.00 0.00 C ATOM 573 CG2 ILE A 39 -14.048 -14.864 -8.636 1.00 0.00 C ATOM 574 CD1 ILE A 39 -13.412 -17.590 -10.083 1.00 0.00 C ATOM 0 H ILE A 39 -10.576 -16.695 -7.860 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.411 -14.122 -8.715 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.040 -16.483 -7.682 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.460 -15.741 -10.563 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.451 -16.859 -9.665 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -14.881 -15.480 -8.974 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.308 -14.389 -7.690 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.838 -14.097 -9.382 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.101 -18.059 -11.016 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -13.398 -18.330 -9.283 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.422 -17.195 -10.194 1.00 0.00 H new ATOM 586 N LEU A 40 -11.185 -14.444 -5.623 1.00 0.00 N ATOM 587 CA LEU A 40 -11.425 -13.856 -4.310 1.00 0.00 C ATOM 588 C LEU A 40 -11.588 -12.343 -4.411 1.00 0.00 C ATOM 589 O LEU A 40 -12.224 -11.719 -3.562 1.00 0.00 O ATOM 590 CB LEU A 40 -10.273 -14.193 -3.361 1.00 0.00 C ATOM 591 CG LEU A 40 -8.864 -13.948 -3.901 1.00 0.00 C ATOM 592 CD1 LEU A 40 -8.583 -12.457 -4.001 1.00 0.00 C ATOM 593 CD2 LEU A 40 -7.828 -14.631 -3.020 1.00 0.00 C ATOM 0 H LEU A 40 -10.357 -15.038 -5.675 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.350 -14.277 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.397 -13.609 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.355 -15.243 -3.081 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.799 -14.377 -4.901 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.576 -12.302 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.305 -11.995 -4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.667 -12.004 -3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.831 -14.446 -3.420 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.892 -14.233 -2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.017 -15.704 -3.001 1.00 0.00 H new ATOM 605 N ASP A 41 -11.012 -11.760 -5.457 1.00 0.00 N ATOM 606 CA ASP A 41 -11.097 -10.320 -5.672 1.00 0.00 C ATOM 607 C ASP A 41 -12.523 -9.822 -5.460 1.00 0.00 C ATOM 608 O ASP A 41 -12.743 -8.654 -5.141 1.00 0.00 O ATOM 609 CB ASP A 41 -10.623 -9.965 -7.082 1.00 0.00 C ATOM 610 CG ASP A 41 -9.156 -9.586 -7.122 1.00 0.00 C ATOM 611 OD1 ASP A 41 -8.331 -10.353 -6.584 1.00 0.00 O ATOM 612 OD2 ASP A 41 -8.833 -8.522 -7.690 1.00 0.00 O ATOM 0 H ASP A 41 -10.482 -12.262 -6.169 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.449 -9.830 -4.945 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.794 -10.814 -7.744 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.220 -9.137 -7.465 1.00 0.00 H new ATOM 617 N GLY A 42 -13.490 -10.716 -5.641 1.00 0.00 N ATOM 618 CA GLY A 42 -14.883 -10.348 -5.467 1.00 0.00 C ATOM 619 C GLY A 42 -15.587 -10.101 -6.787 1.00 0.00 C ATOM 620 O GLY A 42 -15.573 -8.986 -7.306 1.00 0.00 O ATOM 0 H GLY A 42 -13.334 -11.689 -5.905 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.400 -11.140 -4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.944 -9.450 -4.852 1.00 0.00 H new ATOM 624 N ASN A 43 -16.203 -11.145 -7.332 1.00 0.00 N ATOM 625 CA ASN A 43 -16.913 -11.037 -8.601 1.00 0.00 C ATOM 626 C ASN A 43 -17.324 -12.414 -9.113 1.00 0.00 C ATOM 627 O ASN A 43 -16.477 -13.234 -9.466 1.00 0.00 O ATOM 628 CB ASN A 43 -16.038 -10.334 -9.641 1.00 0.00 C ATOM 629 CG ASN A 43 -16.361 -8.857 -9.764 1.00 0.00 C ATOM 630 OD1 ASN A 43 -17.517 -8.476 -9.951 1.00 0.00 O ATOM 631 ND2 ASN A 43 -15.338 -8.017 -9.660 1.00 0.00 N ATOM 0 H ASN A 43 -16.225 -12.075 -6.915 1.00 0.00 H new ATOM 0 HA ASN A 43 -17.814 -10.446 -8.435 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.989 -10.452 -9.369 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -16.173 -10.815 -10.610 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -15.494 -7.012 -9.735 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.396 -8.377 -9.505 1.00 0.00 H new ATOM 638 N GLN A 44 -18.630 -12.660 -9.151 1.00 0.00 N ATOM 639 CA GLN A 44 -19.153 -13.937 -9.621 1.00 0.00 C ATOM 640 C GLN A 44 -19.109 -14.017 -11.143 1.00 0.00 C ATOM 641 O GLN A 44 -20.066 -13.644 -11.823 1.00 0.00 O ATOM 642 CB GLN A 44 -20.588 -14.137 -9.129 1.00 0.00 C ATOM 643 CG GLN A 44 -20.758 -15.345 -8.222 1.00 0.00 C ATOM 644 CD GLN A 44 -22.152 -15.443 -7.636 1.00 0.00 C ATOM 645 OE1 GLN A 44 -23.147 -15.420 -8.362 1.00 0.00 O ATOM 646 NE2 GLN A 44 -22.233 -15.553 -6.315 1.00 0.00 N ATOM 0 H GLN A 44 -19.345 -11.992 -8.862 1.00 0.00 H new ATOM 0 HA GLN A 44 -18.524 -14.729 -9.216 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.907 -13.243 -8.593 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.247 -14.245 -9.991 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -20.541 -16.252 -8.786 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.030 -15.292 -7.412 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -21.383 -15.568 -5.751 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.145 -15.622 -5.864 1.00 0.00 H new ATOM 655 N LEU A 45 -17.993 -14.506 -11.673 1.00 0.00 N ATOM 656 CA LEU A 45 -17.824 -14.635 -13.116 1.00 0.00 C ATOM 657 C LEU A 45 -18.963 -15.445 -13.728 1.00 0.00 C ATOM 658 O LEU A 45 -19.735 -16.086 -13.015 1.00 0.00 O ATOM 659 CB LEU A 45 -16.483 -15.298 -13.435 1.00 0.00 C ATOM 660 CG LEU A 45 -15.242 -14.614 -12.859 1.00 0.00 C ATOM 661 CD1 LEU A 45 -13.982 -15.355 -13.277 1.00 0.00 C ATOM 662 CD2 LEU A 45 -15.181 -13.160 -13.301 1.00 0.00 C ATOM 0 H LEU A 45 -17.192 -14.820 -11.125 1.00 0.00 H new ATOM 0 HA LEU A 45 -17.840 -13.635 -13.549 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.511 -16.324 -13.068 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -16.375 -15.350 -14.518 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.308 -14.639 -11.771 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -13.109 -14.854 -12.858 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -14.024 -16.380 -12.909 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -13.908 -15.363 -14.364 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -14.292 -12.689 -12.882 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -15.138 -13.112 -14.389 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -16.069 -12.635 -12.949 1.00 0.00 H new ATOM 674 N HIS A 46 -19.060 -15.412 -15.053 1.00 0.00 N ATOM 675 CA HIS A 46 -20.103 -16.146 -15.761 1.00 0.00 C ATOM 676 C HIS A 46 -19.810 -16.197 -17.258 1.00 0.00 C ATOM 677 O HIS A 46 -18.741 -15.782 -17.705 1.00 0.00 O ATOM 678 CB HIS A 46 -21.466 -15.498 -15.518 1.00 0.00 C ATOM 679 CG HIS A 46 -22.405 -16.358 -14.729 1.00 0.00 C ATOM 680 ND1 HIS A 46 -22.522 -16.548 -13.394 1.00 0.00 N flip ATOM 681 CD2 HIS A 46 -23.370 -17.151 -15.313 1.00 0.00 C flip ATOM 682 CE1 HIS A 46 -23.546 -17.441 -13.198 1.00 0.00 C flip ATOM 683 NE2 HIS A 46 -24.042 -17.790 -14.372 1.00 0.00 N flip ATOM 0 H HIS A 46 -18.430 -14.885 -15.658 1.00 0.00 H new ATOM 0 HA HIS A 46 -20.121 -17.166 -15.377 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.322 -14.554 -14.992 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.923 -15.261 -16.479 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -21.955 -16.109 -12.669 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -23.549 -17.236 -16.375 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -23.890 -17.800 -12.239 1.00 0.00 H new ATOM 691 N ILE A 47 -20.767 -16.708 -18.025 1.00 0.00 N ATOM 692 CA ILE A 47 -20.611 -16.813 -19.471 1.00 0.00 C ATOM 693 C ILE A 47 -20.514 -15.434 -20.114 1.00 0.00 C ATOM 694 O ILE A 47 -21.465 -14.653 -20.081 1.00 0.00 O ATOM 695 CB ILE A 47 -21.782 -17.583 -20.109 1.00 0.00 C ATOM 696 CG1 ILE A 47 -21.855 -19.003 -19.544 1.00 0.00 C ATOM 697 CG2 ILE A 47 -21.632 -17.616 -21.623 1.00 0.00 C ATOM 698 CD1 ILE A 47 -20.625 -19.833 -19.836 1.00 0.00 C ATOM 0 H ILE A 47 -21.658 -17.056 -17.670 1.00 0.00 H new ATOM 0 HA ILE A 47 -19.686 -17.361 -19.650 1.00 0.00 H new ATOM 0 HB ILE A 47 -22.712 -17.068 -19.867 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -21.999 -18.949 -18.465 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -22.729 -19.506 -19.958 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -22.467 -18.164 -22.060 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -21.624 -16.597 -22.010 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -20.697 -18.111 -21.885 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -20.746 -20.827 -19.406 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -20.491 -19.918 -20.914 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -19.750 -19.353 -19.398 1.00 0.00 H new ATOM 710 N ALA A 48 -19.358 -15.140 -20.701 1.00 0.00 N ATOM 711 CA ALA A 48 -19.138 -13.857 -21.356 1.00 0.00 C ATOM 712 C ALA A 48 -19.043 -12.729 -20.335 1.00 0.00 C ATOM 713 O ALA A 48 -19.816 -11.772 -20.380 1.00 0.00 O ATOM 714 CB ALA A 48 -20.251 -13.576 -22.355 1.00 0.00 C ATOM 0 H ALA A 48 -18.559 -15.774 -20.736 1.00 0.00 H new ATOM 0 HA ALA A 48 -18.190 -13.908 -21.891 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.073 -12.614 -22.837 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -20.269 -14.362 -23.110 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -21.209 -13.550 -21.835 1.00 0.00 H new ATOM 720 N ASP A 49 -18.091 -12.847 -19.416 1.00 0.00 N ATOM 721 CA ASP A 49 -17.896 -11.836 -18.383 1.00 0.00 C ATOM 722 C ASP A 49 -16.472 -11.291 -18.420 1.00 0.00 C ATOM 723 O ASP A 49 -15.507 -12.035 -18.248 1.00 0.00 O ATOM 724 CB ASP A 49 -18.195 -12.423 -17.003 1.00 0.00 C ATOM 725 CG ASP A 49 -19.631 -12.889 -16.870 1.00 0.00 C ATOM 726 OD1 ASP A 49 -20.095 -13.640 -17.754 1.00 0.00 O ATOM 727 OD2 ASP A 49 -20.291 -12.504 -15.882 1.00 0.00 O ATOM 0 H ASP A 49 -17.442 -13.632 -19.365 1.00 0.00 H new ATOM 0 HA ASP A 49 -18.586 -11.015 -18.577 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.525 -13.262 -16.816 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.987 -11.673 -16.240 1.00 0.00 H new ATOM 732 N GLU A 50 -16.349 -9.986 -18.647 1.00 0.00 N ATOM 733 CA GLU A 50 -15.042 -9.342 -18.709 1.00 0.00 C ATOM 734 C GLU A 50 -14.254 -9.586 -17.425 1.00 0.00 C ATOM 735 O GLU A 50 -14.826 -9.660 -16.337 1.00 0.00 O ATOM 736 CB GLU A 50 -15.201 -7.839 -18.946 1.00 0.00 C ATOM 737 CG GLU A 50 -16.050 -7.500 -20.159 1.00 0.00 C ATOM 738 CD GLU A 50 -17.037 -6.381 -19.886 1.00 0.00 C ATOM 739 OE1 GLU A 50 -17.948 -6.582 -19.057 1.00 0.00 O ATOM 740 OE2 GLU A 50 -16.897 -5.304 -20.503 1.00 0.00 O ATOM 0 H GLU A 50 -17.138 -9.355 -18.791 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.489 -9.777 -19.542 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.649 -7.386 -18.062 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.214 -7.393 -19.068 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.399 -7.212 -20.984 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -16.594 -8.389 -20.477 1.00 0.00 H new ATOM 747 N VAL A 51 -12.938 -9.710 -17.560 1.00 0.00 N ATOM 748 CA VAL A 51 -12.071 -9.944 -16.411 1.00 0.00 C ATOM 749 C VAL A 51 -10.667 -9.404 -16.663 1.00 0.00 C ATOM 750 O VAL A 51 -10.232 -9.291 -17.809 1.00 0.00 O ATOM 751 CB VAL A 51 -11.979 -11.445 -16.075 1.00 0.00 C ATOM 752 CG1 VAL A 51 -13.347 -11.992 -15.697 1.00 0.00 C ATOM 753 CG2 VAL A 51 -11.390 -12.218 -17.245 1.00 0.00 C ATOM 0 H VAL A 51 -12.449 -9.652 -18.453 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.514 -9.416 -15.567 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.316 -11.568 -15.219 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.263 -13.053 -15.463 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.725 -11.457 -14.826 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -14.036 -11.858 -16.531 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.332 -13.276 -16.990 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.025 -12.090 -18.122 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.390 -11.842 -17.463 1.00 0.00 H new ATOM 763 N GLU A 52 -9.964 -9.073 -15.585 1.00 0.00 N ATOM 764 CA GLU A 52 -8.609 -8.544 -15.690 1.00 0.00 C ATOM 765 C GLU A 52 -7.656 -9.305 -14.773 1.00 0.00 C ATOM 766 O GLU A 52 -7.839 -9.335 -13.556 1.00 0.00 O ATOM 767 CB GLU A 52 -8.591 -7.055 -15.340 1.00 0.00 C ATOM 768 CG GLU A 52 -7.213 -6.422 -15.446 1.00 0.00 C ATOM 769 CD GLU A 52 -7.240 -4.924 -15.214 1.00 0.00 C ATOM 770 OE1 GLU A 52 -8.125 -4.250 -15.782 1.00 0.00 O ATOM 771 OE2 GLU A 52 -6.376 -4.425 -14.463 1.00 0.00 O ATOM 0 H GLU A 52 -10.310 -9.162 -14.629 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.275 -8.672 -16.720 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.277 -6.526 -16.002 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.965 -6.924 -14.324 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.547 -6.887 -14.719 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.799 -6.626 -16.433 1.00 0.00 H new ATOM 778 N PHE A 53 -6.638 -9.920 -15.366 1.00 0.00 N ATOM 779 CA PHE A 53 -5.656 -10.682 -14.604 1.00 0.00 C ATOM 780 C PHE A 53 -4.244 -10.419 -15.120 1.00 0.00 C ATOM 781 O PHE A 53 -4.058 -9.937 -16.238 1.00 0.00 O ATOM 782 CB PHE A 53 -5.969 -12.178 -14.682 1.00 0.00 C ATOM 783 CG PHE A 53 -6.271 -12.656 -16.073 1.00 0.00 C ATOM 784 CD1 PHE A 53 -7.489 -12.370 -16.668 1.00 0.00 C ATOM 785 CD2 PHE A 53 -5.338 -13.392 -16.785 1.00 0.00 C ATOM 786 CE1 PHE A 53 -7.771 -12.808 -17.949 1.00 0.00 C ATOM 787 CE2 PHE A 53 -5.614 -13.832 -18.066 1.00 0.00 C ATOM 788 CZ PHE A 53 -6.832 -13.541 -18.648 1.00 0.00 C ATOM 0 H PHE A 53 -6.472 -9.905 -16.372 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.710 -10.360 -13.564 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.121 -12.739 -14.290 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.821 -12.397 -14.038 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.227 -11.798 -16.125 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.385 -13.625 -16.334 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -8.724 -12.577 -18.402 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.877 -14.403 -18.611 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.050 -13.886 -19.648 1.00 0.00 H new ATOM 798 N THR A 54 -3.250 -10.740 -14.297 1.00 0.00 N ATOM 799 CA THR A 54 -1.855 -10.537 -14.667 1.00 0.00 C ATOM 800 C THR A 54 -1.228 -11.830 -15.176 1.00 0.00 C ATOM 801 O THR A 54 -0.772 -12.662 -14.390 1.00 0.00 O ATOM 802 CB THR A 54 -1.029 -10.012 -13.478 1.00 0.00 C ATOM 803 OG1 THR A 54 -1.679 -8.879 -12.892 1.00 0.00 O ATOM 804 CG2 THR A 54 0.374 -9.625 -13.923 1.00 0.00 C ATOM 0 H THR A 54 -3.386 -11.142 -13.369 1.00 0.00 H new ATOM 0 HA THR A 54 -1.844 -9.793 -15.463 1.00 0.00 H new ATOM 0 HB THR A 54 -0.952 -10.808 -12.738 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.148 -8.552 -12.136 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.939 -9.257 -13.066 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.876 -10.497 -14.342 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.313 -8.843 -14.680 1.00 0.00 H new ATOM 968 N ASN A 65 1.575 -20.321 -17.790 1.00 0.00 N ATOM 969 CA ASN A 65 0.842 -19.063 -17.711 1.00 0.00 C ATOM 970 C ASN A 65 -0.445 -19.233 -16.910 1.00 0.00 C ATOM 971 O ASN A 65 -1.270 -20.094 -17.215 1.00 0.00 O ATOM 972 CB ASN A 65 0.517 -18.549 -19.115 1.00 0.00 C ATOM 973 CG ASN A 65 1.624 -18.843 -20.109 1.00 0.00 C ATOM 974 OD1 ASN A 65 2.807 -18.711 -19.795 1.00 0.00 O ATOM 975 ND2 ASN A 65 1.244 -19.244 -21.317 1.00 0.00 N ATOM 0 HA ASN A 65 1.473 -18.335 -17.201 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.410 -19.007 -19.461 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.345 -17.473 -19.074 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.944 -19.456 -22.028 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.252 -19.340 -21.534 1.00 0.00 H new ATOM 982 N HIS A 66 -0.610 -18.405 -15.883 1.00 0.00 N ATOM 983 CA HIS A 66 -1.797 -18.462 -15.037 1.00 0.00 C ATOM 984 C HIS A 66 -2.351 -17.063 -14.783 1.00 0.00 C ATOM 985 O HIS A 66 -1.717 -16.064 -15.120 1.00 0.00 O ATOM 986 CB HIS A 66 -1.470 -19.143 -13.708 1.00 0.00 C ATOM 987 CG HIS A 66 -0.777 -18.245 -12.730 1.00 0.00 C ATOM 988 ND1 HIS A 66 0.095 -17.228 -12.925 1.00 0.00 N flip ATOM 989 CD2 HIS A 66 -0.949 -18.343 -11.365 1.00 0.00 C flip ATOM 990 CE1 HIS A 66 0.429 -16.735 -11.688 1.00 0.00 C flip ATOM 991 NE2 HIS A 66 -0.215 -17.425 -10.763 1.00 0.00 N flip ATOM 0 H HIS A 66 0.063 -17.687 -15.617 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.556 -19.045 -15.558 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.393 -19.510 -13.260 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -0.841 -20.012 -13.900 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -1.585 -19.059 -10.866 1.00 0.00 H new ATOM 0 HE1 HIS A 66 1.108 -15.916 -11.501 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -0.155 -17.274 -9.756 1.00 0.00 H new ATOM 999 N ALA A 67 -3.538 -17.001 -14.189 1.00 0.00 N ATOM 1000 CA ALA A 67 -4.176 -15.726 -13.889 1.00 0.00 C ATOM 1001 C ALA A 67 -4.368 -15.548 -12.387 1.00 0.00 C ATOM 1002 O ALA A 67 -5.036 -16.353 -11.737 1.00 0.00 O ATOM 1003 CB ALA A 67 -5.512 -15.622 -14.610 1.00 0.00 C ATOM 0 H ALA A 67 -4.077 -17.819 -13.906 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.522 -14.929 -14.242 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.978 -14.664 -14.377 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.352 -15.695 -15.686 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.165 -16.432 -14.285 1.00 0.00 H new ATOM 1009 N ILE A 68 -3.779 -14.489 -11.841 1.00 0.00 N ATOM 1010 CA ILE A 68 -3.887 -14.206 -10.415 1.00 0.00 C ATOM 1011 C ILE A 68 -4.916 -13.113 -10.147 1.00 0.00 C ATOM 1012 O ILE A 68 -5.237 -12.318 -11.031 1.00 0.00 O ATOM 1013 CB ILE A 68 -2.532 -13.776 -9.823 1.00 0.00 C ATOM 1014 CG1 ILE A 68 -2.037 -12.497 -10.501 1.00 0.00 C ATOM 1015 CG2 ILE A 68 -1.509 -14.892 -9.975 1.00 0.00 C ATOM 1016 CD1 ILE A 68 -1.207 -11.615 -9.596 1.00 0.00 C ATOM 0 H ILE A 68 -3.222 -13.813 -12.364 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.209 -15.130 -9.934 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.665 -13.574 -8.760 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.445 -12.765 -11.376 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.896 -11.930 -10.859 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.557 -14.573 -9.552 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.859 -15.781 -9.450 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.377 -15.123 -11.032 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.891 -10.727 -10.144 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.802 -11.316 -8.733 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.329 -12.165 -9.258 1.00 0.00 H new ATOM 1028 N ARG A 69 -5.429 -13.079 -8.922 1.00 0.00 N ATOM 1029 CA ARG A 69 -6.422 -12.083 -8.537 1.00 0.00 C ATOM 1030 C ARG A 69 -7.345 -11.755 -9.707 1.00 0.00 C ATOM 1031 O ARG A 69 -7.103 -10.807 -10.455 1.00 0.00 O ATOM 1032 CB ARG A 69 -5.733 -10.808 -8.045 1.00 0.00 C ATOM 1033 CG ARG A 69 -4.821 -11.032 -6.850 1.00 0.00 C ATOM 1034 CD ARG A 69 -5.281 -10.233 -5.641 1.00 0.00 C ATOM 1035 NE ARG A 69 -4.156 -9.757 -4.840 1.00 0.00 N ATOM 1036 CZ ARG A 69 -4.261 -9.405 -3.563 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -5.432 -9.475 -2.946 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -3.192 -8.981 -2.901 1.00 0.00 N ATOM 0 H ARG A 69 -5.174 -13.729 -8.179 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.022 -12.499 -7.728 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.150 -10.382 -8.861 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.493 -10.074 -7.779 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.801 -12.093 -6.600 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.802 -10.746 -7.110 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.875 -9.382 -5.974 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.930 -10.853 -5.022 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.241 -9.691 -5.285 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.256 -9.800 -3.452 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.509 -9.204 -1.966 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.289 -8.925 -3.372 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.273 -8.711 -1.921 1.00 0.00 H new ATOM 1052 N ILE A 70 -8.403 -12.546 -9.859 1.00 0.00 N ATOM 1053 CA ILE A 70 -9.362 -12.339 -10.937 1.00 0.00 C ATOM 1054 C ILE A 70 -10.497 -11.423 -10.494 1.00 0.00 C ATOM 1055 O ILE A 70 -11.304 -11.785 -9.638 1.00 0.00 O ATOM 1056 CB ILE A 70 -9.955 -13.674 -11.426 1.00 0.00 C ATOM 1057 CG1 ILE A 70 -8.861 -14.545 -12.047 1.00 0.00 C ATOM 1058 CG2 ILE A 70 -11.071 -13.421 -12.428 1.00 0.00 C ATOM 1059 CD1 ILE A 70 -9.375 -15.855 -12.603 1.00 0.00 C ATOM 0 H ILE A 70 -8.617 -13.335 -9.249 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.819 -11.870 -11.757 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.374 -14.205 -10.571 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.373 -13.987 -12.846 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.101 -14.752 -11.293 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.480 -14.373 -12.765 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.859 -12.834 -11.955 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.675 -12.874 -13.283 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.545 -16.421 -13.027 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.837 -16.433 -11.803 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.113 -15.656 -13.380 1.00 0.00 H new ATOM 1071 N LYS A 71 -10.556 -10.234 -11.085 1.00 0.00 N ATOM 1072 CA LYS A 71 -11.594 -9.265 -10.755 1.00 0.00 C ATOM 1073 C LYS A 71 -12.360 -8.842 -12.004 1.00 0.00 C ATOM 1074 O LYS A 71 -11.849 -8.088 -12.833 1.00 0.00 O ATOM 1075 CB LYS A 71 -10.979 -8.037 -10.080 1.00 0.00 C ATOM 1076 CG LYS A 71 -12.005 -7.010 -9.635 1.00 0.00 C ATOM 1077 CD LYS A 71 -11.472 -5.594 -9.770 1.00 0.00 C ATOM 1078 CE LYS A 71 -12.548 -4.637 -10.260 1.00 0.00 C ATOM 1079 NZ LYS A 71 -13.064 -3.774 -9.161 1.00 0.00 N ATOM 0 H LYS A 71 -9.896 -9.918 -11.796 1.00 0.00 H new ATOM 0 HA LYS A 71 -12.292 -9.739 -10.065 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.401 -8.360 -9.214 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.281 -7.565 -10.771 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.911 -7.117 -10.232 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.283 -7.198 -8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.092 -5.254 -8.807 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.632 -5.585 -10.465 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.142 -4.010 -11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.371 -5.206 -10.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.795 -3.136 -9.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.474 -4.371 -8.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.284 -3.212 -8.765 1.00 0.00 H new ATOM 1093 N LYS A 72 -13.589 -9.330 -12.133 1.00 0.00 N ATOM 1094 CA LYS A 72 -14.427 -9.000 -13.280 1.00 0.00 C ATOM 1095 C LYS A 72 -14.357 -7.509 -13.594 1.00 0.00 C ATOM 1096 O LYS A 72 -14.178 -6.683 -12.698 1.00 0.00 O ATOM 1097 CB LYS A 72 -15.877 -9.408 -13.011 1.00 0.00 C ATOM 1098 CG LYS A 72 -16.829 -9.049 -14.140 1.00 0.00 C ATOM 1099 CD LYS A 72 -18.278 -9.100 -13.685 1.00 0.00 C ATOM 1100 CE LYS A 72 -19.217 -9.384 -14.847 1.00 0.00 C ATOM 1101 NZ LYS A 72 -20.387 -8.462 -14.853 1.00 0.00 N ATOM 0 H LYS A 72 -14.027 -9.956 -11.457 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.054 -9.552 -14.142 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.917 -10.484 -12.841 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.217 -8.927 -12.094 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.597 -8.050 -14.509 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.684 -9.737 -14.973 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -18.395 -9.872 -12.924 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -18.548 -8.152 -13.221 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.673 -9.286 -15.786 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.567 -10.415 -14.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -21.003 -8.688 -15.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -20.921 -8.573 -13.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -20.055 -7.480 -14.935 1.00 0.00 H new ATOM 1115 N LEU A 73 -14.501 -7.171 -14.871 1.00 0.00 N ATOM 1116 CA LEU A 73 -14.455 -5.779 -15.303 1.00 0.00 C ATOM 1117 C LEU A 73 -15.861 -5.234 -15.534 1.00 0.00 C ATOM 1118 O LEU A 73 -16.767 -5.948 -15.965 1.00 0.00 O ATOM 1119 CB LEU A 73 -13.629 -5.649 -16.584 1.00 0.00 C ATOM 1120 CG LEU A 73 -12.135 -5.947 -16.453 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -11.594 -6.539 -17.744 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -11.370 -4.685 -16.081 1.00 0.00 C ATOM 0 H LEU A 73 -14.651 -7.842 -15.625 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.984 -5.195 -14.513 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -14.049 -6.321 -17.333 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.745 -4.635 -16.966 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.998 -6.679 -15.657 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.529 -6.745 -17.632 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.121 -7.466 -17.968 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.743 -5.831 -18.559 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.308 -4.916 -15.992 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.514 -3.931 -16.855 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.739 -4.303 -15.129 1.00 0.00 H new ATOM 1134 N PRO A 74 -16.049 -3.938 -15.242 1.00 0.00 N ATOM 1135 CA PRO A 74 -17.342 -3.268 -15.413 1.00 0.00 C ATOM 1136 C PRO A 74 -17.715 -3.093 -16.881 1.00 0.00 C ATOM 1137 O PRO A 74 -16.845 -2.977 -17.744 1.00 0.00 O ATOM 1138 CB PRO A 74 -17.125 -1.905 -14.750 1.00 0.00 C ATOM 1139 CG PRO A 74 -15.656 -1.672 -14.836 1.00 0.00 C ATOM 1140 CD PRO A 74 -15.015 -3.028 -14.725 1.00 0.00 C ATOM 0 HA PRO A 74 -18.160 -3.843 -14.979 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -17.681 -1.121 -15.265 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -17.465 -1.910 -13.714 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.392 -1.191 -15.778 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -15.318 -1.014 -14.036 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -14.098 -3.088 -15.311 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -14.751 -3.264 -13.694 1.00 0.00 H new ATOM 1148 N LYS A 75 -19.015 -3.075 -17.158 1.00 0.00 N ATOM 1149 CA LYS A 75 -19.505 -2.912 -18.521 1.00 0.00 C ATOM 1150 C LYS A 75 -18.893 -1.677 -19.176 1.00 0.00 C ATOM 1151 O LYS A 75 -18.778 -0.624 -18.550 1.00 0.00 O ATOM 1152 CB LYS A 75 -21.031 -2.803 -18.527 1.00 0.00 C ATOM 1153 CG LYS A 75 -21.675 -3.341 -19.793 1.00 0.00 C ATOM 1154 CD LYS A 75 -23.188 -3.399 -19.668 1.00 0.00 C ATOM 1155 CE LYS A 75 -23.871 -2.744 -20.859 1.00 0.00 C ATOM 1156 NZ LYS A 75 -24.383 -1.386 -20.527 1.00 0.00 N ATOM 0 H LYS A 75 -19.748 -3.171 -16.455 1.00 0.00 H new ATOM 0 HA LYS A 75 -19.208 -3.790 -19.094 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -21.429 -3.345 -17.669 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -21.313 -1.757 -18.402 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -21.403 -2.708 -20.638 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -21.288 -4.338 -20.004 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -23.508 -4.438 -19.590 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -23.498 -2.900 -18.750 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -23.167 -2.674 -21.688 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -24.697 -3.371 -21.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -24.841 -0.973 -21.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -25.074 -1.455 -19.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -23.592 -0.779 -20.231 1.00 0.00 H new ATOM 1170 N GLY A 76 -18.504 -1.814 -20.440 1.00 0.00 N ATOM 1171 CA GLY A 76 -17.910 -0.701 -21.157 1.00 0.00 C ATOM 1172 C GLY A 76 -16.430 -0.549 -20.869 1.00 0.00 C ATOM 1173 O GLY A 76 -15.988 0.493 -20.384 1.00 0.00 O ATOM 0 H GLY A 76 -18.590 -2.675 -20.980 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -18.056 -0.843 -22.228 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -18.426 0.220 -20.885 1.00 0.00 H new ATOM 1177 N THR A 77 -15.660 -1.591 -21.167 1.00 0.00 N ATOM 1178 CA THR A 77 -14.222 -1.569 -20.934 1.00 0.00 C ATOM 1179 C THR A 77 -13.475 -2.312 -22.036 1.00 0.00 C ATOM 1180 O THR A 77 -12.493 -1.810 -22.582 1.00 0.00 O ATOM 1181 CB THR A 77 -13.863 -2.197 -19.574 1.00 0.00 C ATOM 1182 OG1 THR A 77 -14.502 -1.472 -18.517 1.00 0.00 O ATOM 1183 CG2 THR A 77 -12.357 -2.196 -19.358 1.00 0.00 C ATOM 0 H THR A 77 -16.009 -2.461 -21.570 1.00 0.00 H new ATOM 0 HA THR A 77 -13.918 -0.522 -20.934 1.00 0.00 H new ATOM 0 HB THR A 77 -14.214 -3.229 -19.571 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.314 -1.946 -18.240 1.00 0.00 H new ATOM 0 HG21 THR A 77 -12.128 -2.644 -18.391 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.876 -2.772 -20.148 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.987 -1.171 -19.380 1.00 0.00 H new ATOM 1191 N VAL A 78 -13.948 -3.512 -22.359 1.00 0.00 N ATOM 1192 CA VAL A 78 -13.326 -4.324 -23.398 1.00 0.00 C ATOM 1193 C VAL A 78 -14.177 -4.345 -24.663 1.00 0.00 C ATOM 1194 O VAL A 78 -15.394 -4.171 -24.607 1.00 0.00 O ATOM 1195 CB VAL A 78 -13.101 -5.771 -22.920 1.00 0.00 C ATOM 1196 CG1 VAL A 78 -12.083 -6.474 -23.805 1.00 0.00 C ATOM 1197 CG2 VAL A 78 -12.658 -5.789 -21.465 1.00 0.00 C ATOM 0 H VAL A 78 -14.760 -3.943 -21.916 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.361 -3.868 -23.620 1.00 0.00 H new ATOM 0 HB VAL A 78 -14.045 -6.310 -22.995 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.937 -7.495 -23.452 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.446 -6.494 -24.832 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.135 -5.938 -23.766 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.504 -6.819 -21.144 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.726 -5.233 -21.362 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.426 -5.327 -20.845 1.00 0.00 H new