USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 645 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 32 GLN : amide:sc= -0.352 X(o=-0.61,f=-0.6) USER MOD Set 1.2: A 34 HIS : no HD1:sc= -0.259 X(o=-0.61,f=-0.58) USER MOD Set 2.1: A 25 ASN : amide:sc= -8.39! C(o=-11!,f=-15!) USER MOD Set 2.2: A 69 GLN : amide:sc= -3.04! C(o=-11!,f=-11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0164 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -2.01 X(o=-2,f=-2.1!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.135 K(o=-0.14,f=-0.8) USER MOD Single : A 22 GLN : amide:sc= -0.555 X(o=-0.56,f=-0.74) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.359 K(o=-0.36,f=-2.9!) USER MOD Single : A 36 GLN : amide:sc= -0.0208 X(o=-0.021,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 41:sc= 0.56 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -102:sc= 0.12 USER MOD Single : A 51 HIS : no HE2:sc= -6.6! C(o=-6.6!,f=-4.7!) USER MOD Single : A 58 ASN : amide:sc= -9.45! C(o=-9.4!,f=-6!) USER MOD Single : A 60 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.18) USER MOD Single : A 63 LYS NZ :NH3+ -135:sc= -0.287 (180deg=-1.68!) USER MOD Single : A 68 SER OG : rot -72:sc= 0.961 USER MOD Single : A 73 TYR OH : rot -90:sc= -3.04! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.0166 X(o=-0.017,f=-0.058) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.655 -34.795 9.686 1.00 0.00 N ATOM 2 CA MET A 1 9.202 -33.467 9.461 1.00 0.00 C ATOM 3 C MET A 1 8.238 -32.386 9.952 1.00 0.00 C ATOM 4 O MET A 1 7.023 -32.522 9.814 1.00 0.00 O ATOM 5 CB MET A 1 9.469 -33.272 7.967 1.00 0.00 C ATOM 6 CG MET A 1 10.805 -33.899 7.562 1.00 0.00 C ATOM 7 SD MET A 1 10.520 -35.311 6.507 1.00 0.00 S ATOM 8 CE MET A 1 12.207 -35.791 6.171 1.00 0.00 C ATOM 0 H1 MET A 1 8.912 -35.415 8.892 1.00 0.00 H new ATOM 0 H2 MET A 1 9.042 -35.185 10.569 1.00 0.00 H new ATOM 0 H3 MET A 1 7.619 -34.736 9.758 1.00 0.00 H new ATOM 0 HA MET A 1 10.133 -33.378 10.021 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.662 -33.721 7.388 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.476 -32.208 7.731 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.419 -33.164 7.042 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.358 -34.204 8.451 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.214 -36.665 5.520 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.728 -34.969 5.680 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.710 -36.032 7.107 1.00 0.00 H new ATOM 18 N ARG A 2 8.815 -31.337 10.520 1.00 0.00 N ATOM 19 CA ARG A 2 8.023 -30.233 11.033 1.00 0.00 C ATOM 20 C ARG A 2 8.149 -29.016 10.115 1.00 0.00 C ATOM 21 O ARG A 2 9.210 -28.773 9.543 1.00 0.00 O ATOM 22 CB ARG A 2 8.467 -29.847 12.445 1.00 0.00 C ATOM 23 CG ARG A 2 9.794 -29.085 12.413 1.00 0.00 C ATOM 24 CD ARG A 2 10.740 -29.584 13.508 1.00 0.00 C ATOM 25 NE ARG A 2 11.890 -30.289 12.899 1.00 0.00 N ATOM 26 CZ ARG A 2 12.727 -31.085 13.577 1.00 0.00 C ATOM 27 NH1 ARG A 2 12.547 -31.283 14.890 1.00 0.00 N ATOM 28 NH2 ARG A 2 13.745 -31.683 12.942 1.00 0.00 N ATOM 0 H ARG A 2 9.823 -31.229 10.636 1.00 0.00 H new ATOM 0 HA ARG A 2 6.983 -30.559 11.067 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.701 -29.231 12.915 1.00 0.00 H new ATOM 0 HB3 ARG A 2 8.573 -30.744 13.055 1.00 0.00 H new ATOM 0 HG2 ARG A 2 10.264 -29.208 11.437 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.609 -28.019 12.546 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.093 -28.744 14.106 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.208 -30.254 14.183 1.00 0.00 H new ATOM 0 HE ARG A 2 12.055 -30.161 11.901 1.00 0.00 H new ATOM 0 HH11 ARG A 2 11.773 -30.828 15.373 1.00 0.00 H new ATOM 0 HH12 ARG A 2 13.184 -31.889 15.406 1.00 0.00 H new ATOM 0 HH21 ARG A 2 13.882 -31.532 11.943 1.00 0.00 H new ATOM 0 HH22 ARG A 2 14.383 -32.289 13.458 1.00 0.00 H new ATOM 42 N SER A 3 7.051 -28.283 10.003 1.00 0.00 N ATOM 43 CA SER A 3 7.026 -27.097 9.163 1.00 0.00 C ATOM 44 C SER A 3 7.920 -26.011 9.765 1.00 0.00 C ATOM 45 O SER A 3 8.259 -26.066 10.946 1.00 0.00 O ATOM 46 CB SER A 3 5.598 -26.575 8.992 1.00 0.00 C ATOM 47 OG SER A 3 5.459 -25.776 7.820 1.00 0.00 O ATOM 0 H SER A 3 6.173 -28.487 10.480 1.00 0.00 H new ATOM 0 HA SER A 3 7.406 -27.366 8.178 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.908 -27.417 8.941 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.320 -25.987 9.867 1.00 0.00 H new ATOM 0 HG SER A 3 4.533 -25.463 7.745 1.00 0.00 H new ATOM 53 N LEU A 4 8.276 -25.050 8.925 1.00 0.00 N ATOM 54 CA LEU A 4 9.125 -23.954 9.359 1.00 0.00 C ATOM 55 C LEU A 4 8.339 -22.643 9.276 1.00 0.00 C ATOM 56 O LEU A 4 7.275 -22.592 8.663 1.00 0.00 O ATOM 57 CB LEU A 4 10.431 -23.939 8.562 1.00 0.00 C ATOM 58 CG LEU A 4 10.293 -23.734 7.052 1.00 0.00 C ATOM 59 CD1 LEU A 4 11.289 -22.687 6.548 1.00 0.00 C ATOM 60 CD2 LEU A 4 10.429 -25.062 6.304 1.00 0.00 C ATOM 0 H LEU A 4 7.992 -25.008 7.946 1.00 0.00 H new ATOM 0 HA LEU A 4 9.416 -24.087 10.401 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.067 -23.148 8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.950 -24.882 8.735 1.00 0.00 H new ATOM 0 HG LEU A 4 9.293 -23.351 6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.170 -22.560 5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 4 11.102 -21.737 7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 4 12.305 -23.017 6.764 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.327 -24.888 5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 4 11.407 -25.497 6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.650 -25.748 6.636 1.00 0.00 H new ATOM 72 N GLU A 5 8.895 -21.617 9.904 1.00 0.00 N ATOM 73 CA GLU A 5 8.259 -20.310 9.909 1.00 0.00 C ATOM 74 C GLU A 5 9.062 -19.327 9.055 1.00 0.00 C ATOM 75 O GLU A 5 10.289 -19.285 9.138 1.00 0.00 O ATOM 76 CB GLU A 5 8.092 -19.787 11.336 1.00 0.00 C ATOM 77 CG GLU A 5 7.052 -18.667 11.393 1.00 0.00 C ATOM 78 CD GLU A 5 6.908 -18.122 12.814 1.00 0.00 C ATOM 79 OE1 GLU A 5 7.961 -17.805 13.410 1.00 0.00 O ATOM 80 OE2 GLU A 5 5.749 -18.034 13.275 1.00 0.00 O ATOM 0 H GLU A 5 9.778 -21.664 10.412 1.00 0.00 H new ATOM 0 HA GLU A 5 7.264 -20.410 9.476 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.789 -20.603 11.993 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.049 -19.418 11.706 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.343 -17.861 10.719 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.090 -19.042 11.045 1.00 0.00 H new ATOM 87 N THR A 6 8.338 -18.558 8.255 1.00 0.00 N ATOM 88 CA THR A 6 8.967 -17.577 7.388 1.00 0.00 C ATOM 89 C THR A 6 8.361 -16.192 7.621 1.00 0.00 C ATOM 90 O THR A 6 7.337 -16.063 8.292 1.00 0.00 O ATOM 91 CB THR A 6 8.830 -18.066 5.945 1.00 0.00 C ATOM 92 OG1 THR A 6 7.463 -18.454 5.838 1.00 0.00 O ATOM 93 CG2 THR A 6 9.606 -19.359 5.688 1.00 0.00 C ATOM 0 H THR A 6 7.321 -18.595 8.189 1.00 0.00 H new ATOM 0 HA THR A 6 10.029 -17.473 7.612 1.00 0.00 H new ATOM 0 HB THR A 6 9.182 -17.291 5.265 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.286 -18.783 4.932 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.475 -19.662 4.649 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.665 -19.193 5.887 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.232 -20.144 6.345 1.00 0.00 H new ATOM 101 N PHE A 7 9.018 -15.190 7.055 1.00 0.00 N ATOM 102 CA PHE A 7 8.557 -13.819 7.192 1.00 0.00 C ATOM 103 C PHE A 7 9.421 -12.865 6.366 1.00 0.00 C ATOM 104 O PHE A 7 10.588 -13.149 6.101 1.00 0.00 O ATOM 105 CB PHE A 7 8.683 -13.451 8.672 1.00 0.00 C ATOM 106 CG PHE A 7 9.858 -14.126 9.382 1.00 0.00 C ATOM 107 CD1 PHE A 7 11.109 -13.603 9.275 1.00 0.00 C ATOM 108 CD2 PHE A 7 9.653 -15.248 10.122 1.00 0.00 C ATOM 109 CE1 PHE A 7 12.200 -14.228 9.934 1.00 0.00 C ATOM 110 CE2 PHE A 7 10.743 -15.875 10.781 1.00 0.00 C ATOM 111 CZ PHE A 7 11.994 -15.351 10.674 1.00 0.00 C ATOM 0 H PHE A 7 9.867 -15.301 6.500 1.00 0.00 H new ATOM 0 HA PHE A 7 7.530 -13.734 6.838 1.00 0.00 H new ATOM 0 HB2 PHE A 7 8.791 -12.370 8.759 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.759 -13.721 9.183 1.00 0.00 H new ATOM 0 HD1 PHE A 7 11.272 -12.711 8.688 1.00 0.00 H new ATOM 0 HD2 PHE A 7 8.660 -15.663 10.209 1.00 0.00 H new ATOM 0 HE1 PHE A 7 13.193 -13.812 9.848 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.579 -16.767 11.367 1.00 0.00 H new ATOM 0 HZ PHE A 7 12.823 -15.826 11.176 1.00 0.00 H new ATOM 121 N VAL A 8 8.814 -11.751 5.982 1.00 0.00 N ATOM 122 CA VAL A 8 9.512 -10.753 5.190 1.00 0.00 C ATOM 123 C VAL A 8 9.373 -9.386 5.864 1.00 0.00 C ATOM 124 O VAL A 8 9.260 -9.302 7.085 1.00 0.00 O ATOM 125 CB VAL A 8 8.991 -10.766 3.752 1.00 0.00 C ATOM 126 CG1 VAL A 8 7.717 -9.928 3.622 1.00 0.00 C ATOM 127 CG2 VAL A 8 10.066 -10.285 2.775 1.00 0.00 C ATOM 0 H VAL A 8 7.846 -11.518 6.205 1.00 0.00 H new ATOM 0 HA VAL A 8 10.576 -10.984 5.137 1.00 0.00 H new ATOM 0 HB VAL A 8 8.742 -11.796 3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.368 -9.954 2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.946 -10.334 4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.929 -8.897 3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.670 -10.304 1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.361 -9.267 3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.934 -10.941 2.838 1.00 0.00 H new ATOM 137 N GLY A 9 9.388 -8.351 5.037 1.00 0.00 N ATOM 138 CA GLY A 9 9.266 -6.992 5.538 1.00 0.00 C ATOM 139 C GLY A 9 8.209 -6.212 4.753 1.00 0.00 C ATOM 140 O GLY A 9 8.541 -5.449 3.847 1.00 0.00 O ATOM 0 H GLY A 9 9.483 -8.426 4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.998 -7.013 6.594 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.228 -6.485 5.463 1.00 0.00 H new ATOM 144 N ASP A 10 6.957 -6.430 5.131 1.00 0.00 N ATOM 145 CA ASP A 10 5.850 -5.757 4.474 1.00 0.00 C ATOM 146 C ASP A 10 5.528 -4.464 5.225 1.00 0.00 C ATOM 147 O ASP A 10 6.087 -4.203 6.289 1.00 0.00 O ATOM 148 CB ASP A 10 4.594 -6.631 4.478 1.00 0.00 C ATOM 149 CG ASP A 10 4.474 -7.586 5.667 1.00 0.00 C ATOM 150 OD1 ASP A 10 4.127 -7.089 6.760 1.00 0.00 O ATOM 151 OD2 ASP A 10 4.733 -8.790 5.455 1.00 0.00 O ATOM 0 H ASP A 10 6.686 -7.063 5.883 1.00 0.00 H new ATOM 0 HA ASP A 10 6.143 -5.551 3.445 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.718 -5.982 4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.574 -7.216 3.558 1.00 0.00 H new ATOM 156 N GLN A 11 4.627 -3.687 4.640 1.00 0.00 N ATOM 157 CA GLN A 11 4.224 -2.426 5.241 1.00 0.00 C ATOM 158 C GLN A 11 2.871 -1.981 4.682 1.00 0.00 C ATOM 159 O GLN A 11 2.597 -2.159 3.496 1.00 0.00 O ATOM 160 CB GLN A 11 5.288 -1.349 5.022 1.00 0.00 C ATOM 161 CG GLN A 11 4.994 -0.108 5.867 1.00 0.00 C ATOM 162 CD GLN A 11 4.879 1.139 4.989 1.00 0.00 C ATOM 163 OE1 GLN A 11 3.947 1.302 4.218 1.00 0.00 O ATOM 164 NE2 GLN A 11 5.874 2.007 5.148 1.00 0.00 N ATOM 0 H GLN A 11 4.165 -3.906 3.757 1.00 0.00 H new ATOM 0 HA GLN A 11 4.121 -2.575 6.316 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.270 -1.745 5.281 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.322 -1.076 3.967 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.067 -0.253 6.422 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.787 0.032 6.602 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.623 1.808 5.811 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.888 2.872 4.607 1.00 0.00 H new ATOM 173 N VAL A 12 2.061 -1.412 5.563 1.00 0.00 N ATOM 174 CA VAL A 12 0.744 -0.940 5.172 1.00 0.00 C ATOM 175 C VAL A 12 0.803 0.566 4.906 1.00 0.00 C ATOM 176 O VAL A 12 1.783 1.222 5.253 1.00 0.00 O ATOM 177 CB VAL A 12 -0.285 -1.318 6.240 1.00 0.00 C ATOM 178 CG1 VAL A 12 -1.659 -1.567 5.614 1.00 0.00 C ATOM 179 CG2 VAL A 12 0.181 -2.533 7.044 1.00 0.00 C ATOM 0 H VAL A 12 2.292 -1.267 6.546 1.00 0.00 H new ATOM 0 HA VAL A 12 0.426 -1.421 4.247 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.379 -0.478 6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.371 -1.834 6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.997 -0.663 5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.588 -2.382 4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.568 -2.781 7.796 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.317 -3.382 6.374 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.126 -2.303 7.536 1.00 0.00 H new ATOM 189 N LEU A 13 -0.257 1.068 4.291 1.00 0.00 N ATOM 190 CA LEU A 13 -0.337 2.484 3.974 1.00 0.00 C ATOM 191 C LEU A 13 -1.801 2.871 3.754 1.00 0.00 C ATOM 192 O LEU A 13 -2.609 2.043 3.336 1.00 0.00 O ATOM 193 CB LEU A 13 0.573 2.821 2.791 1.00 0.00 C ATOM 194 CG LEU A 13 -0.049 2.663 1.401 1.00 0.00 C ATOM 195 CD1 LEU A 13 -0.461 4.021 0.829 1.00 0.00 C ATOM 196 CD2 LEU A 13 0.893 1.907 0.461 1.00 0.00 C ATOM 0 H LEU A 13 -1.068 0.520 4.004 1.00 0.00 H new ATOM 0 HA LEU A 13 0.029 3.082 4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.912 3.851 2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.458 2.186 2.846 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.955 2.065 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.900 3.882 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.193 4.487 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.416 4.663 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.427 1.809 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.829 2.457 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.095 0.916 0.868 1.00 0.00 H new ATOM 208 N GLU A 14 -2.098 4.129 4.044 1.00 0.00 N ATOM 209 CA GLU A 14 -3.449 4.636 3.884 1.00 0.00 C ATOM 210 C GLU A 14 -3.586 5.369 2.547 1.00 0.00 C ATOM 211 O GLU A 14 -2.640 6.004 2.085 1.00 0.00 O ATOM 212 CB GLU A 14 -3.837 5.546 5.051 1.00 0.00 C ATOM 213 CG GLU A 14 -5.325 5.897 5.002 1.00 0.00 C ATOM 214 CD GLU A 14 -5.562 7.343 5.442 1.00 0.00 C ATOM 215 OE1 GLU A 14 -5.090 8.242 4.712 1.00 0.00 O ATOM 216 OE2 GLU A 14 -6.210 7.517 6.495 1.00 0.00 O ATOM 0 H GLU A 14 -1.425 4.813 4.389 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.136 3.789 3.884 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.607 5.051 5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.243 6.459 5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.703 5.755 3.989 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.883 5.220 5.649 1.00 0.00 H new ATOM 223 N ILE A 15 -4.771 5.256 1.966 1.00 0.00 N ATOM 224 CA ILE A 15 -5.043 5.901 0.692 1.00 0.00 C ATOM 225 C ILE A 15 -6.403 6.599 0.760 1.00 0.00 C ATOM 226 O ILE A 15 -7.347 6.073 1.347 1.00 0.00 O ATOM 227 CB ILE A 15 -4.926 4.894 -0.454 1.00 0.00 C ATOM 228 CG1 ILE A 15 -3.621 4.101 -0.355 1.00 0.00 C ATOM 229 CG2 ILE A 15 -5.074 5.587 -1.810 1.00 0.00 C ATOM 230 CD1 ILE A 15 -3.713 2.794 -1.145 1.00 0.00 C ATOM 0 H ILE A 15 -5.553 4.728 2.353 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.298 6.670 0.487 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.745 4.180 -0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.796 4.703 -0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.402 3.884 0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.987 4.849 -2.607 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.050 6.070 -1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.291 6.337 -1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.773 2.249 -1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.524 2.184 -0.746 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.908 3.016 -2.194 1.00 0.00 H new ATOM 242 N VAL A 16 -6.460 7.774 0.150 1.00 0.00 N ATOM 243 CA VAL A 16 -7.688 8.551 0.133 1.00 0.00 C ATOM 244 C VAL A 16 -7.945 9.061 -1.285 1.00 0.00 C ATOM 245 O VAL A 16 -7.415 10.097 -1.682 1.00 0.00 O ATOM 246 CB VAL A 16 -7.610 9.676 1.168 1.00 0.00 C ATOM 247 CG1 VAL A 16 -8.919 10.466 1.218 1.00 0.00 C ATOM 248 CG2 VAL A 16 -7.248 9.126 2.550 1.00 0.00 C ATOM 0 H VAL A 16 -5.675 8.207 -0.336 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.537 7.928 0.413 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.818 10.359 0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.837 11.259 1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.117 10.904 0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.737 9.798 1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.199 9.946 3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.007 8.411 2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.279 8.629 2.501 1.00 0.00 H new ATOM 258 N PRO A 17 -8.780 8.289 -2.032 1.00 0.00 N ATOM 259 CA PRO A 17 -9.113 8.651 -3.399 1.00 0.00 C ATOM 260 C PRO A 17 -10.105 9.815 -3.430 1.00 0.00 C ATOM 261 O PRO A 17 -10.460 10.362 -2.387 1.00 0.00 O ATOM 262 CB PRO A 17 -9.668 7.379 -4.018 1.00 0.00 C ATOM 263 CG PRO A 17 -10.058 6.483 -2.853 1.00 0.00 C ATOM 264 CD PRO A 17 -9.425 7.054 -1.595 1.00 0.00 C ATOM 0 HA PRO A 17 -8.251 9.008 -3.963 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.530 7.596 -4.649 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.923 6.895 -4.650 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.142 6.441 -2.750 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.714 5.463 -3.024 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.175 7.249 -0.828 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.702 6.360 -1.166 1.00 0.00 H new ATOM 272 N SER A 18 -10.527 10.158 -4.638 1.00 0.00 N ATOM 273 CA SER A 18 -11.472 11.248 -4.819 1.00 0.00 C ATOM 274 C SER A 18 -12.146 11.133 -6.188 1.00 0.00 C ATOM 275 O SER A 18 -13.357 11.311 -6.304 1.00 0.00 O ATOM 276 CB SER A 18 -10.780 12.606 -4.680 1.00 0.00 C ATOM 277 OG SER A 18 -11.697 13.688 -4.819 1.00 0.00 O ATOM 0 H SER A 18 -10.232 9.701 -5.501 1.00 0.00 H new ATOM 0 HA SER A 18 -12.231 11.176 -4.040 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.292 12.667 -3.707 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.998 12.694 -5.435 1.00 0.00 H new ATOM 0 HG SER A 18 -11.218 14.537 -4.723 1.00 0.00 H new ATOM 283 N ASN A 19 -11.331 10.838 -7.191 1.00 0.00 N ATOM 284 CA ASN A 19 -11.834 10.698 -8.546 1.00 0.00 C ATOM 285 C ASN A 19 -11.894 9.214 -8.912 1.00 0.00 C ATOM 286 O ASN A 19 -11.450 8.362 -8.144 1.00 0.00 O ATOM 287 CB ASN A 19 -10.913 11.394 -9.550 1.00 0.00 C ATOM 288 CG ASN A 19 -11.330 12.851 -9.758 1.00 0.00 C ATOM 289 OD1 ASN A 19 -12.502 13.186 -9.821 1.00 0.00 O ATOM 290 ND2 ASN A 19 -10.309 13.698 -9.860 1.00 0.00 N ATOM 0 H ASN A 19 -10.326 10.692 -7.092 1.00 0.00 H new ATOM 0 HA ASN A 19 -12.823 11.154 -8.587 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.884 11.354 -9.193 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -10.941 10.864 -10.502 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.484 14.693 -10.000 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.351 13.352 -9.799 1.00 0.00 H new ATOM 297 N GLU A 20 -12.449 8.949 -10.086 1.00 0.00 N ATOM 298 CA GLU A 20 -12.574 7.582 -10.563 1.00 0.00 C ATOM 299 C GLU A 20 -11.238 7.091 -11.125 1.00 0.00 C ATOM 300 O GLU A 20 -10.848 5.947 -10.900 1.00 0.00 O ATOM 301 CB GLU A 20 -13.684 7.465 -11.610 1.00 0.00 C ATOM 302 CG GLU A 20 -15.029 7.152 -10.950 1.00 0.00 C ATOM 303 CD GLU A 20 -15.806 8.436 -10.653 1.00 0.00 C ATOM 304 OE1 GLU A 20 -16.182 9.112 -11.634 1.00 0.00 O ATOM 305 OE2 GLU A 20 -16.007 8.712 -9.450 1.00 0.00 O ATOM 0 H GLU A 20 -12.817 9.658 -10.721 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.847 6.948 -9.719 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.758 8.396 -12.172 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.434 6.681 -12.324 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.618 6.509 -11.604 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.864 6.600 -10.025 1.00 0.00 H new ATOM 312 N GLU A 21 -10.573 7.982 -11.846 1.00 0.00 N ATOM 313 CA GLU A 21 -9.288 7.654 -12.442 1.00 0.00 C ATOM 314 C GLU A 21 -8.329 7.122 -11.375 1.00 0.00 C ATOM 315 O GLU A 21 -7.719 6.069 -11.554 1.00 0.00 O ATOM 316 CB GLU A 21 -8.692 8.866 -13.159 1.00 0.00 C ATOM 317 CG GLU A 21 -7.183 8.701 -13.353 1.00 0.00 C ATOM 318 CD GLU A 21 -6.866 7.416 -14.120 1.00 0.00 C ATOM 319 OE1 GLU A 21 -7.160 7.392 -15.335 1.00 0.00 O ATOM 320 OE2 GLU A 21 -6.336 6.486 -13.475 1.00 0.00 O ATOM 0 H GLU A 21 -10.899 8.930 -12.031 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.443 6.873 -13.186 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.175 8.994 -14.128 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.892 9.769 -12.582 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.786 9.559 -13.895 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.688 8.681 -12.382 1.00 0.00 H new ATOM 327 N GLN A 22 -8.227 7.874 -10.289 1.00 0.00 N ATOM 328 CA GLN A 22 -7.351 7.491 -9.193 1.00 0.00 C ATOM 329 C GLN A 22 -7.737 6.108 -8.665 1.00 0.00 C ATOM 330 O GLN A 22 -6.869 5.284 -8.380 1.00 0.00 O ATOM 331 CB GLN A 22 -7.385 8.534 -8.075 1.00 0.00 C ATOM 332 CG GLN A 22 -6.315 9.605 -8.292 1.00 0.00 C ATOM 333 CD GLN A 22 -6.607 10.851 -7.455 1.00 0.00 C ATOM 334 OE1 GLN A 22 -6.923 10.779 -6.278 1.00 0.00 O ATOM 335 NE2 GLN A 22 -6.486 11.994 -8.123 1.00 0.00 N ATOM 0 H GLN A 22 -8.736 8.746 -10.144 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.329 7.443 -9.569 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.369 9.001 -8.038 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.227 8.046 -7.113 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.336 9.205 -8.026 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.273 9.874 -9.348 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.218 11.984 -9.107 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.661 12.881 -7.651 1.00 0.00 H new ATOM 344 N ILE A 23 -9.041 5.895 -8.550 1.00 0.00 N ATOM 345 CA ILE A 23 -9.551 4.626 -8.062 1.00 0.00 C ATOM 346 C ILE A 23 -9.313 3.544 -9.117 1.00 0.00 C ATOM 347 O ILE A 23 -9.008 2.400 -8.780 1.00 0.00 O ATOM 348 CB ILE A 23 -11.018 4.764 -7.644 1.00 0.00 C ATOM 349 CG1 ILE A 23 -11.133 5.353 -6.236 1.00 0.00 C ATOM 350 CG2 ILE A 23 -11.750 3.427 -7.767 1.00 0.00 C ATOM 351 CD1 ILE A 23 -12.598 5.568 -5.851 1.00 0.00 C ATOM 0 H ILE A 23 -9.758 6.580 -8.787 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.013 4.320 -7.165 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.504 5.462 -8.326 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.659 4.684 -5.518 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.598 6.301 -6.190 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.790 3.552 -7.464 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.712 3.085 -8.801 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.271 2.689 -7.123 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.652 5.987 -4.846 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.063 6.256 -6.557 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.124 4.614 -5.875 1.00 0.00 H new ATOM 363 N LYS A 24 -9.458 3.943 -10.371 1.00 0.00 N ATOM 364 CA LYS A 24 -9.262 3.022 -11.477 1.00 0.00 C ATOM 365 C LYS A 24 -7.788 2.616 -11.542 1.00 0.00 C ATOM 366 O LYS A 24 -7.442 1.617 -12.170 1.00 0.00 O ATOM 367 CB LYS A 24 -9.790 3.627 -12.780 1.00 0.00 C ATOM 368 CG LYS A 24 -9.063 3.041 -13.991 1.00 0.00 C ATOM 369 CD LYS A 24 -9.899 3.201 -15.263 1.00 0.00 C ATOM 370 CE LYS A 24 -9.410 2.258 -16.363 1.00 0.00 C ATOM 371 NZ LYS A 24 -10.452 1.260 -16.693 1.00 0.00 N ATOM 0 H LYS A 24 -9.709 4.893 -10.646 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.839 2.111 -11.319 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.860 3.436 -12.866 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.660 4.709 -12.762 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.102 3.539 -14.118 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.855 1.985 -13.819 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.946 2.996 -15.042 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.843 4.232 -15.612 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.153 2.831 -17.254 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.502 1.750 -16.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.103 0.628 -17.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.678 0.701 -15.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.308 1.749 -17.024 1.00 0.00 H new ATOM 385 N ASN A 25 -6.958 3.414 -10.883 1.00 0.00 N ATOM 386 CA ASN A 25 -5.529 3.149 -10.859 1.00 0.00 C ATOM 387 C ASN A 25 -5.255 1.937 -9.967 1.00 0.00 C ATOM 388 O ASN A 25 -4.665 0.955 -10.414 1.00 0.00 O ATOM 389 CB ASN A 25 -4.760 4.342 -10.286 1.00 0.00 C ATOM 390 CG ASN A 25 -3.359 4.433 -10.894 1.00 0.00 C ATOM 391 OD1 ASN A 25 -2.351 4.294 -10.221 1.00 0.00 O ATOM 392 ND2 ASN A 25 -3.352 4.675 -12.202 1.00 0.00 N ATOM 0 H ASN A 25 -7.248 4.242 -10.363 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.201 2.965 -11.882 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.308 5.263 -10.486 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.685 4.245 -9.203 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.466 4.755 -12.701 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.233 4.781 -12.706 1.00 0.00 H new ATOM 399 N LEU A 26 -5.695 2.046 -8.721 1.00 0.00 N ATOM 400 CA LEU A 26 -5.503 0.971 -7.763 1.00 0.00 C ATOM 401 C LEU A 26 -6.001 -0.343 -8.371 1.00 0.00 C ATOM 402 O LEU A 26 -5.237 -1.295 -8.510 1.00 0.00 O ATOM 403 CB LEU A 26 -6.162 1.319 -6.427 1.00 0.00 C ATOM 404 CG LEU A 26 -5.488 0.750 -5.178 1.00 0.00 C ATOM 405 CD1 LEU A 26 -4.490 1.749 -4.591 1.00 0.00 C ATOM 406 CD2 LEU A 26 -6.529 0.308 -4.147 1.00 0.00 C ATOM 0 H LEU A 26 -6.184 2.862 -8.354 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.443 0.841 -7.544 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.197 2.404 -6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.193 0.967 -6.451 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.924 -0.137 -5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.025 1.320 -3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.722 1.973 -5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.011 2.667 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.024 -0.093 -3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.139 1.163 -3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.167 -0.462 -4.581 1.00 0.00 H new ATOM 418 N LEU A 27 -7.280 -0.349 -8.718 1.00 0.00 N ATOM 419 CA LEU A 27 -7.889 -1.530 -9.307 1.00 0.00 C ATOM 420 C LEU A 27 -6.930 -2.135 -10.333 1.00 0.00 C ATOM 421 O LEU A 27 -6.638 -3.329 -10.288 1.00 0.00 O ATOM 422 CB LEU A 27 -9.268 -1.193 -9.876 1.00 0.00 C ATOM 423 CG LEU A 27 -10.449 -1.356 -8.918 1.00 0.00 C ATOM 424 CD1 LEU A 27 -11.215 -0.041 -8.763 1.00 0.00 C ATOM 425 CD2 LEU A 27 -11.361 -2.502 -9.361 1.00 0.00 C ATOM 0 H LEU A 27 -7.911 0.444 -8.603 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.061 -2.291 -8.546 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.251 -0.161 -10.228 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.443 -1.824 -10.747 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.057 -1.618 -7.935 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.050 -0.185 -8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.547 0.724 -8.367 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.595 0.276 -9.734 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.192 -2.596 -8.663 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.747 -2.295 -10.359 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.794 -3.433 -9.377 1.00 0.00 H new ATOM 437 N GLN A 28 -6.466 -1.283 -11.236 1.00 0.00 N ATOM 438 CA GLN A 28 -5.545 -1.718 -12.272 1.00 0.00 C ATOM 439 C GLN A 28 -4.314 -2.376 -11.647 1.00 0.00 C ATOM 440 O GLN A 28 -3.801 -3.364 -12.169 1.00 0.00 O ATOM 441 CB GLN A 28 -5.143 -0.550 -13.175 1.00 0.00 C ATOM 442 CG GLN A 28 -4.879 -1.027 -14.604 1.00 0.00 C ATOM 443 CD GLN A 28 -3.441 -0.720 -15.028 1.00 0.00 C ATOM 444 OE1 GLN A 28 -2.700 -0.031 -14.346 1.00 0.00 O ATOM 445 NE2 GLN A 28 -3.090 -1.266 -16.189 1.00 0.00 N ATOM 0 H GLN A 28 -6.711 -0.293 -11.271 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.052 -2.457 -12.893 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.934 0.200 -13.179 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.249 -0.069 -12.777 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.061 -2.100 -14.673 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.575 -0.541 -15.288 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.760 -1.832 -16.709 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.151 -1.118 -16.559 1.00 0.00 H new ATOM 454 N LEU A 29 -3.876 -1.801 -10.536 1.00 0.00 N ATOM 455 CA LEU A 29 -2.714 -2.319 -9.833 1.00 0.00 C ATOM 456 C LEU A 29 -3.042 -3.700 -9.263 1.00 0.00 C ATOM 457 O LEU A 29 -2.431 -4.696 -9.648 1.00 0.00 O ATOM 458 CB LEU A 29 -2.233 -1.318 -8.782 1.00 0.00 C ATOM 459 CG LEU A 29 -1.322 -1.879 -7.689 1.00 0.00 C ATOM 460 CD1 LEU A 29 0.098 -2.097 -8.215 1.00 0.00 C ATOM 461 CD2 LEU A 29 -1.342 -0.985 -6.446 1.00 0.00 C ATOM 0 H LEU A 29 -4.305 -0.982 -10.106 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.879 -2.448 -10.521 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.703 -0.513 -9.291 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.107 -0.873 -8.306 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.707 -2.854 -7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.724 -2.496 -7.417 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.074 -2.803 -9.045 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.509 -1.147 -8.558 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.686 -1.406 -5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.996 0.014 -6.711 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.358 -0.925 -6.057 1.00 0.00 H new ATOM 473 N GLU A 30 -4.006 -3.716 -8.354 1.00 0.00 N ATOM 474 CA GLU A 30 -4.423 -4.958 -7.726 1.00 0.00 C ATOM 475 C GLU A 30 -4.668 -6.032 -8.788 1.00 0.00 C ATOM 476 O GLU A 30 -4.338 -7.199 -8.583 1.00 0.00 O ATOM 477 CB GLU A 30 -5.667 -4.746 -6.863 1.00 0.00 C ATOM 478 CG GLU A 30 -5.692 -5.721 -5.685 1.00 0.00 C ATOM 479 CD GLU A 30 -6.870 -6.691 -5.801 1.00 0.00 C ATOM 480 OE1 GLU A 30 -8.012 -6.190 -5.882 1.00 0.00 O ATOM 481 OE2 GLU A 30 -6.602 -7.912 -5.806 1.00 0.00 O ATOM 0 H GLU A 30 -4.510 -2.888 -8.037 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.621 -5.298 -7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.686 -3.721 -6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.562 -4.881 -7.470 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.757 -6.281 -5.652 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.764 -5.165 -4.750 1.00 0.00 H new ATOM 488 N ALA A 31 -5.245 -5.600 -9.899 1.00 0.00 N ATOM 489 CA ALA A 31 -5.539 -6.510 -10.993 1.00 0.00 C ATOM 490 C ALA A 31 -4.285 -7.323 -11.324 1.00 0.00 C ATOM 491 O ALA A 31 -4.355 -8.541 -11.485 1.00 0.00 O ATOM 492 CB ALA A 31 -6.051 -5.715 -12.195 1.00 0.00 C ATOM 0 H ALA A 31 -5.517 -4.631 -10.066 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.323 -7.212 -10.708 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.271 -6.398 -13.016 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.958 -5.178 -11.916 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.289 -5.002 -12.511 1.00 0.00 H new ATOM 498 N GLN A 32 -3.167 -6.618 -11.416 1.00 0.00 N ATOM 499 CA GLN A 32 -1.901 -7.259 -11.725 1.00 0.00 C ATOM 500 C GLN A 32 -1.602 -8.362 -10.709 1.00 0.00 C ATOM 501 O GLN A 32 -1.142 -8.084 -9.603 1.00 0.00 O ATOM 502 CB GLN A 32 -0.765 -6.234 -11.772 1.00 0.00 C ATOM 503 CG GLN A 32 -0.734 -5.512 -13.120 1.00 0.00 C ATOM 504 CD GLN A 32 -0.322 -6.464 -14.244 1.00 0.00 C ATOM 505 OE1 GLN A 32 -1.114 -6.851 -15.088 1.00 0.00 O ATOM 506 NE2 GLN A 32 0.960 -6.821 -14.209 1.00 0.00 N ATOM 0 H GLN A 32 -3.112 -5.608 -11.282 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.978 -7.714 -12.713 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.892 -5.508 -10.969 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.188 -6.734 -11.601 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.717 -5.094 -13.335 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.036 -4.676 -13.073 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.570 -6.461 -13.475 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.332 -7.455 -14.916 1.00 0.00 H new ATOM 515 N GLU A 33 -1.877 -9.591 -11.121 1.00 0.00 N ATOM 516 CA GLU A 33 -1.643 -10.738 -10.259 1.00 0.00 C ATOM 517 C GLU A 33 -0.355 -10.547 -9.457 1.00 0.00 C ATOM 518 O GLU A 33 -0.375 -10.574 -8.228 1.00 0.00 O ATOM 519 CB GLU A 33 -1.595 -12.034 -11.073 1.00 0.00 C ATOM 520 CG GLU A 33 -1.985 -13.236 -10.211 1.00 0.00 C ATOM 521 CD GLU A 33 -2.128 -14.499 -11.063 1.00 0.00 C ATOM 522 OE1 GLU A 33 -1.247 -14.704 -11.926 1.00 0.00 O ATOM 523 OE2 GLU A 33 -3.116 -15.230 -10.834 1.00 0.00 O ATOM 0 H GLU A 33 -2.259 -9.818 -12.039 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.475 -10.817 -9.559 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.271 -11.958 -11.925 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.592 -12.179 -11.474 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.230 -13.396 -9.441 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.925 -13.031 -9.698 1.00 0.00 H new ATOM 530 N HIS A 34 0.735 -10.355 -10.186 1.00 0.00 N ATOM 531 CA HIS A 34 2.030 -10.159 -9.557 1.00 0.00 C ATOM 532 C HIS A 34 1.876 -9.251 -8.336 1.00 0.00 C ATOM 533 O HIS A 34 2.460 -9.512 -7.285 1.00 0.00 O ATOM 534 CB HIS A 34 3.049 -9.627 -10.567 1.00 0.00 C ATOM 535 CG HIS A 34 2.970 -10.285 -11.924 1.00 0.00 C ATOM 536 ND1 HIS A 34 3.304 -11.612 -12.134 1.00 0.00 N ATOM 537 CD2 HIS A 34 2.592 -9.786 -13.136 1.00 0.00 C ATOM 538 CE1 HIS A 34 3.132 -11.887 -13.419 1.00 0.00 C ATOM 539 NE2 HIS A 34 2.691 -10.754 -14.038 1.00 0.00 N ATOM 0 H HIS A 34 0.748 -10.331 -11.206 1.00 0.00 H new ATOM 0 HA HIS A 34 2.417 -11.116 -9.207 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.901 -8.554 -10.686 1.00 0.00 H new ATOM 0 HB3 HIS A 34 4.052 -9.768 -10.164 1.00 0.00 H new ATOM 0 HD2 HIS A 34 2.267 -8.774 -13.329 1.00 0.00 H new ATOM 0 HE1 HIS A 34 3.310 -12.841 -13.893 1.00 0.00 H new ATOM 0 HE2 HIS A 34 2.473 -10.666 -15.031 1.00 0.00 H new ATOM 548 N LEU A 35 1.086 -8.202 -8.515 1.00 0.00 N ATOM 549 CA LEU A 35 0.847 -7.253 -7.441 1.00 0.00 C ATOM 550 C LEU A 35 -0.505 -7.554 -6.791 1.00 0.00 C ATOM 551 O LEU A 35 -1.316 -6.651 -6.590 1.00 0.00 O ATOM 552 CB LEU A 35 0.977 -5.818 -7.954 1.00 0.00 C ATOM 553 CG LEU A 35 2.401 -5.269 -8.057 1.00 0.00 C ATOM 554 CD1 LEU A 35 2.418 -3.919 -8.777 1.00 0.00 C ATOM 555 CD2 LEU A 35 3.060 -5.190 -6.677 1.00 0.00 C ATOM 0 H LEU A 35 0.603 -7.989 -9.388 1.00 0.00 H new ATOM 0 HA LEU A 35 1.605 -7.359 -6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.515 -5.762 -8.940 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.404 -5.165 -7.296 1.00 0.00 H new ATOM 0 HG LEU A 35 2.991 -5.962 -8.657 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.442 -3.551 -8.837 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.016 -4.038 -9.783 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.808 -3.204 -8.225 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.071 -4.797 -6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.478 -4.531 -6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.101 -6.186 -6.236 1.00 0.00 H new ATOM 567 N GLN A 36 -0.707 -8.827 -6.482 1.00 0.00 N ATOM 568 CA GLN A 36 -1.948 -9.258 -5.860 1.00 0.00 C ATOM 569 C GLN A 36 -2.052 -8.696 -4.441 1.00 0.00 C ATOM 570 O GLN A 36 -2.044 -9.450 -3.469 1.00 0.00 O ATOM 571 CB GLN A 36 -2.057 -10.784 -5.855 1.00 0.00 C ATOM 572 CG GLN A 36 -2.770 -11.286 -7.113 1.00 0.00 C ATOM 573 CD GLN A 36 -3.972 -12.160 -6.749 1.00 0.00 C ATOM 574 OE1 GLN A 36 -3.855 -13.177 -6.085 1.00 0.00 O ATOM 575 NE2 GLN A 36 -5.131 -11.709 -7.220 1.00 0.00 N ATOM 0 H GLN A 36 -0.033 -9.573 -6.651 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.781 -8.869 -6.446 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.061 -11.223 -5.797 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.601 -11.111 -4.969 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.101 -10.437 -7.711 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.073 -11.857 -7.727 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.159 -10.850 -7.769 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.992 -12.222 -7.032 1.00 0.00 H new ATOM 584 N LEU A 37 -2.150 -7.377 -4.367 1.00 0.00 N ATOM 585 CA LEU A 37 -2.257 -6.705 -3.082 1.00 0.00 C ATOM 586 C LEU A 37 -3.683 -6.860 -2.548 1.00 0.00 C ATOM 587 O LEU A 37 -4.635 -6.936 -3.323 1.00 0.00 O ATOM 588 CB LEU A 37 -1.798 -5.251 -3.198 1.00 0.00 C ATOM 589 CG LEU A 37 -0.727 -4.968 -4.254 1.00 0.00 C ATOM 590 CD1 LEU A 37 -1.293 -4.119 -5.395 1.00 0.00 C ATOM 591 CD2 LEU A 37 0.509 -4.326 -3.621 1.00 0.00 C ATOM 0 H LEU A 37 -2.158 -6.755 -5.175 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.591 -7.167 -2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.668 -4.632 -3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.417 -4.933 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.412 -5.918 -4.685 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.512 -3.932 -6.132 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.119 -4.650 -5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.652 -3.169 -4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.255 -4.135 -4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.228 -3.386 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.926 -5.000 -2.872 1.00 0.00 H new ATOM 603 N ASP A 38 -3.784 -6.902 -1.228 1.00 0.00 N ATOM 604 CA ASP A 38 -5.077 -7.046 -0.581 1.00 0.00 C ATOM 605 C ASP A 38 -5.492 -5.704 0.024 1.00 0.00 C ATOM 606 O ASP A 38 -4.779 -5.146 0.856 1.00 0.00 O ATOM 607 CB ASP A 38 -5.015 -8.075 0.550 1.00 0.00 C ATOM 608 CG ASP A 38 -5.332 -9.513 0.134 1.00 0.00 C ATOM 609 OD1 ASP A 38 -6.498 -9.749 -0.252 1.00 0.00 O ATOM 610 OD2 ASP A 38 -4.401 -10.343 0.210 1.00 0.00 O ATOM 0 H ASP A 38 -2.992 -6.839 -0.589 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.795 -7.377 -1.332 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.017 -8.051 0.988 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.714 -7.776 1.331 1.00 0.00 H new ATOM 615 N PHE A 39 -6.645 -5.223 -0.419 1.00 0.00 N ATOM 616 CA PHE A 39 -7.164 -3.956 0.068 1.00 0.00 C ATOM 617 C PHE A 39 -8.072 -4.166 1.282 1.00 0.00 C ATOM 618 O PHE A 39 -9.017 -4.952 1.227 1.00 0.00 O ATOM 619 CB PHE A 39 -7.985 -3.343 -1.067 1.00 0.00 C ATOM 620 CG PHE A 39 -7.164 -2.997 -2.312 1.00 0.00 C ATOM 621 CD1 PHE A 39 -5.899 -2.515 -2.180 1.00 0.00 C ATOM 622 CD2 PHE A 39 -7.699 -3.172 -3.550 1.00 0.00 C ATOM 623 CE1 PHE A 39 -5.138 -2.194 -3.334 1.00 0.00 C ATOM 624 CE2 PHE A 39 -6.938 -2.852 -4.704 1.00 0.00 C ATOM 625 CZ PHE A 39 -5.673 -2.370 -4.572 1.00 0.00 C ATOM 0 H PHE A 39 -7.234 -5.688 -1.110 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.341 -3.309 0.371 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -8.775 -4.039 -1.347 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.472 -2.439 -0.702 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.474 -2.377 -1.197 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.703 -3.555 -3.655 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.134 -1.810 -3.229 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.363 -2.991 -5.687 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.093 -2.127 -5.450 1.00 0.00 H new ATOM 635 N TRP A 40 -7.754 -3.448 2.350 1.00 0.00 N ATOM 636 CA TRP A 40 -8.529 -3.546 3.575 1.00 0.00 C ATOM 637 C TRP A 40 -9.947 -3.050 3.278 1.00 0.00 C ATOM 638 O TRP A 40 -10.909 -3.808 3.392 1.00 0.00 O ATOM 639 CB TRP A 40 -7.854 -2.780 4.714 1.00 0.00 C ATOM 640 CG TRP A 40 -6.789 -3.586 5.461 1.00 0.00 C ATOM 641 CD1 TRP A 40 -6.227 -4.747 5.096 1.00 0.00 C ATOM 642 CD2 TRP A 40 -6.177 -3.241 6.720 1.00 0.00 C ATOM 643 NE1 TRP A 40 -5.302 -5.174 6.026 1.00 0.00 N ATOM 644 CE2 TRP A 40 -5.269 -4.229 7.046 1.00 0.00 C ATOM 645 CE3 TRP A 40 -6.382 -2.131 7.558 1.00 0.00 C ATOM 646 CZ2 TRP A 40 -4.497 -4.206 8.213 1.00 0.00 C ATOM 647 CZ3 TRP A 40 -5.602 -2.123 8.721 1.00 0.00 C ATOM 648 CH2 TRP A 40 -4.684 -3.109 9.062 1.00 0.00 C ATOM 0 H TRP A 40 -6.970 -2.796 2.392 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.585 -4.580 3.914 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -7.395 -1.878 4.309 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -8.616 -2.459 5.424 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.468 -5.281 4.188 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.744 -6.027 5.975 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.086 -1.346 7.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.795 -4.993 8.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.722 -1.292 9.401 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.117 -3.029 9.978 1.00 0.00 H new ATOM 659 N LYS A 41 -10.029 -1.782 2.904 1.00 0.00 N ATOM 660 CA LYS A 41 -11.312 -1.176 2.591 1.00 0.00 C ATOM 661 C LYS A 41 -11.441 -1.022 1.073 1.00 0.00 C ATOM 662 O LYS A 41 -10.744 -0.210 0.467 1.00 0.00 O ATOM 663 CB LYS A 41 -11.488 0.135 3.359 1.00 0.00 C ATOM 664 CG LYS A 41 -12.153 -0.110 4.716 1.00 0.00 C ATOM 665 CD LYS A 41 -12.555 1.211 5.374 1.00 0.00 C ATOM 666 CE LYS A 41 -13.176 0.970 6.753 1.00 0.00 C ATOM 667 NZ LYS A 41 -12.573 1.874 7.757 1.00 0.00 N ATOM 0 H LYS A 41 -9.228 -1.157 2.811 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.128 -1.821 2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.517 0.608 3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.094 0.826 2.772 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.034 -0.739 4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.468 -0.652 5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.680 1.854 5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.267 1.737 4.737 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.253 1.134 6.707 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.024 -0.067 7.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.005 1.698 8.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.549 1.698 7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.740 2.862 7.479 1.00 0.00 H new ATOM 681 N SER A 42 -12.338 -1.814 0.505 1.00 0.00 N ATOM 682 CA SER A 42 -12.567 -1.775 -0.929 1.00 0.00 C ATOM 683 C SER A 42 -12.576 -0.326 -1.419 1.00 0.00 C ATOM 684 O SER A 42 -13.570 0.381 -1.260 1.00 0.00 O ATOM 685 CB SER A 42 -13.882 -2.468 -1.295 1.00 0.00 C ATOM 686 OG SER A 42 -14.993 -1.903 -0.606 1.00 0.00 O ATOM 0 H SER A 42 -12.914 -2.486 1.011 1.00 0.00 H new ATOM 0 HA SER A 42 -11.755 -2.312 -1.420 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.045 -2.391 -2.370 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.810 -3.530 -1.058 1.00 0.00 H new ATOM 0 HG SER A 42 -14.902 -0.928 -0.583 1.00 0.00 H new ATOM 692 N PRO A 43 -11.428 0.084 -2.020 1.00 0.00 N ATOM 693 CA PRO A 43 -11.294 1.437 -2.535 1.00 0.00 C ATOM 694 C PRO A 43 -12.079 1.608 -3.837 1.00 0.00 C ATOM 695 O PRO A 43 -12.078 2.686 -4.429 1.00 0.00 O ATOM 696 CB PRO A 43 -9.799 1.645 -2.711 1.00 0.00 C ATOM 697 CG PRO A 43 -9.184 0.255 -2.731 1.00 0.00 C ATOM 698 CD PRO A 43 -10.230 -0.725 -2.228 1.00 0.00 C ATOM 0 HA PRO A 43 -11.710 2.186 -1.862 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.585 2.180 -3.636 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.389 2.242 -1.896 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.869 -0.008 -3.741 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.295 0.222 -2.101 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.410 -1.519 -2.953 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.911 -1.204 -1.303 1.00 0.00 H new ATOM 706 N THR A 44 -12.730 0.528 -4.246 1.00 0.00 N ATOM 707 CA THR A 44 -13.516 0.546 -5.466 1.00 0.00 C ATOM 708 C THR A 44 -14.236 1.888 -5.618 1.00 0.00 C ATOM 709 O THR A 44 -14.471 2.348 -6.734 1.00 0.00 O ATOM 710 CB THR A 44 -14.466 -0.652 -5.434 1.00 0.00 C ATOM 711 OG1 THR A 44 -13.717 -1.671 -4.778 1.00 0.00 O ATOM 712 CG2 THR A 44 -14.732 -1.227 -6.827 1.00 0.00 C ATOM 0 H THR A 44 -12.728 -0.365 -3.753 1.00 0.00 H new ATOM 0 HA THR A 44 -12.880 0.452 -6.347 1.00 0.00 H new ATOM 0 HB THR A 44 -15.410 -0.354 -4.977 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.259 -2.485 -4.713 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.412 -2.075 -6.747 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.181 -0.460 -7.458 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.792 -1.556 -7.270 1.00 0.00 H new ATOM 720 N THR A 45 -14.567 2.477 -4.479 1.00 0.00 N ATOM 721 CA THR A 45 -15.256 3.757 -4.470 1.00 0.00 C ATOM 722 C THR A 45 -14.483 4.772 -3.627 1.00 0.00 C ATOM 723 O THR A 45 -13.747 4.396 -2.716 1.00 0.00 O ATOM 724 CB THR A 45 -16.686 3.521 -3.980 1.00 0.00 C ATOM 725 OG1 THR A 45 -16.548 3.367 -2.570 1.00 0.00 O ATOM 726 CG2 THR A 45 -17.251 2.179 -4.447 1.00 0.00 C ATOM 0 H THR A 45 -14.371 2.092 -3.555 1.00 0.00 H new ATOM 0 HA THR A 45 -15.308 4.186 -5.471 1.00 0.00 H new ATOM 0 HB THR A 45 -17.328 4.328 -4.333 1.00 0.00 H new ATOM 0 HG1 THR A 45 -17.429 3.211 -2.170 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.268 2.062 -4.072 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.260 2.148 -5.537 1.00 0.00 H new ATOM 0 HG23 THR A 45 -16.628 1.370 -4.066 1.00 0.00 H new ATOM 734 N PRO A 46 -14.683 6.074 -3.968 1.00 0.00 N ATOM 735 CA PRO A 46 -14.014 7.147 -3.252 1.00 0.00 C ATOM 736 C PRO A 46 -14.653 7.373 -1.881 1.00 0.00 C ATOM 737 O PRO A 46 -15.531 6.617 -1.469 1.00 0.00 O ATOM 738 CB PRO A 46 -14.124 8.357 -4.166 1.00 0.00 C ATOM 739 CG PRO A 46 -15.245 8.043 -5.142 1.00 0.00 C ATOM 740 CD PRO A 46 -15.548 6.556 -5.041 1.00 0.00 C ATOM 0 HA PRO A 46 -12.970 6.922 -3.035 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.345 9.259 -3.595 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.186 8.535 -4.693 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.132 8.630 -4.906 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -14.951 8.305 -6.158 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.599 6.381 -4.811 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.337 6.044 -5.980 1.00 0.00 H new ATOM 748 N GLY A 47 -14.187 8.417 -1.211 1.00 0.00 N ATOM 749 CA GLY A 47 -14.702 8.752 0.105 1.00 0.00 C ATOM 750 C GLY A 47 -14.472 7.606 1.093 1.00 0.00 C ATOM 751 O GLY A 47 -15.050 7.591 2.178 1.00 0.00 O ATOM 0 H GLY A 47 -13.458 9.042 -1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.214 9.656 0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.768 8.970 0.037 1.00 0.00 H new ATOM 755 N GLU A 48 -13.625 6.674 0.680 1.00 0.00 N ATOM 756 CA GLU A 48 -13.310 5.527 1.514 1.00 0.00 C ATOM 757 C GLU A 48 -11.797 5.301 1.559 1.00 0.00 C ATOM 758 O GLU A 48 -11.163 5.118 0.522 1.00 0.00 O ATOM 759 CB GLU A 48 -14.037 4.273 1.021 1.00 0.00 C ATOM 760 CG GLU A 48 -15.479 4.240 1.529 1.00 0.00 C ATOM 761 CD GLU A 48 -15.906 2.812 1.873 1.00 0.00 C ATOM 762 OE1 GLU A 48 -15.899 1.979 0.942 1.00 0.00 O ATOM 763 OE2 GLU A 48 -16.231 2.585 3.059 1.00 0.00 O ATOM 0 H GLU A 48 -13.147 6.690 -0.221 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.657 5.734 2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.031 4.250 -0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.507 3.384 1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.572 4.874 2.411 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -16.145 4.650 0.770 1.00 0.00 H new ATOM 770 N THR A 49 -11.264 5.323 2.772 1.00 0.00 N ATOM 771 CA THR A 49 -9.837 5.122 2.966 1.00 0.00 C ATOM 772 C THR A 49 -9.477 3.646 2.786 1.00 0.00 C ATOM 773 O THR A 49 -10.226 2.765 3.206 1.00 0.00 O ATOM 774 CB THR A 49 -9.465 5.676 4.342 1.00 0.00 C ATOM 775 OG1 THR A 49 -10.532 5.253 5.186 1.00 0.00 O ATOM 776 CG2 THR A 49 -9.531 7.204 4.396 1.00 0.00 C ATOM 0 H THR A 49 -11.794 5.477 3.630 1.00 0.00 H new ATOM 0 HA THR A 49 -9.256 5.659 2.216 1.00 0.00 H new ATOM 0 HB THR A 49 -8.460 5.347 4.606 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.141 6.004 5.345 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.258 7.545 5.395 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.838 7.624 3.667 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.544 7.533 4.165 1.00 0.00 H new ATOM 784 N ALA A 50 -8.329 3.422 2.163 1.00 0.00 N ATOM 785 CA ALA A 50 -7.860 2.067 1.924 1.00 0.00 C ATOM 786 C ALA A 50 -6.577 1.829 2.722 1.00 0.00 C ATOM 787 O ALA A 50 -5.856 2.772 3.042 1.00 0.00 O ATOM 788 CB ALA A 50 -7.661 1.854 0.421 1.00 0.00 C ATOM 0 H ALA A 50 -7.710 4.155 1.817 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.598 1.339 2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.309 0.838 0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.608 2.007 -0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.924 2.565 0.047 1.00 0.00 H new ATOM 794 N HIS A 51 -6.332 0.562 3.021 1.00 0.00 N ATOM 795 CA HIS A 51 -5.148 0.185 3.775 1.00 0.00 C ATOM 796 C HIS A 51 -4.714 -1.227 3.380 1.00 0.00 C ATOM 797 O HIS A 51 -5.272 -2.210 3.865 1.00 0.00 O ATOM 798 CB HIS A 51 -5.394 0.332 5.278 1.00 0.00 C ATOM 799 CG HIS A 51 -6.409 1.391 5.635 1.00 0.00 C ATOM 800 ND1 HIS A 51 -7.647 1.091 6.175 1.00 0.00 N ATOM 801 CD2 HIS A 51 -6.355 2.749 5.523 1.00 0.00 C ATOM 802 CE1 HIS A 51 -8.302 2.225 6.375 1.00 0.00 C ATOM 803 NE2 HIS A 51 -7.500 3.252 5.970 1.00 0.00 N ATOM 0 H HIS A 51 -6.934 -0.217 2.755 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.327 0.859 3.531 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.729 -0.626 5.676 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.450 0.569 5.769 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -7.996 0.156 6.384 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.523 3.319 5.137 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.296 2.320 6.786 1.00 0.00 H new ATOM 812 N VAL A 52 -3.722 -1.283 2.503 1.00 0.00 N ATOM 813 CA VAL A 52 -3.206 -2.558 2.037 1.00 0.00 C ATOM 814 C VAL A 52 -1.762 -2.724 2.513 1.00 0.00 C ATOM 815 O VAL A 52 -1.011 -1.752 2.580 1.00 0.00 O ATOM 816 CB VAL A 52 -3.350 -2.657 0.517 1.00 0.00 C ATOM 817 CG1 VAL A 52 -3.262 -1.274 -0.133 1.00 0.00 C ATOM 818 CG2 VAL A 52 -2.307 -3.608 -0.072 1.00 0.00 C ATOM 0 H VAL A 52 -3.262 -0.465 2.103 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.783 -3.381 2.459 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.336 -3.067 0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.367 -1.372 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.060 -0.639 0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.296 -0.824 0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.432 -3.660 -1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.307 -3.241 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.438 -4.602 0.356 1.00 0.00 H new ATOM 828 N ARG A 53 -1.415 -3.963 2.830 1.00 0.00 N ATOM 829 CA ARG A 53 -0.073 -4.269 3.297 1.00 0.00 C ATOM 830 C ARG A 53 0.868 -4.477 2.110 1.00 0.00 C ATOM 831 O ARG A 53 1.051 -5.602 1.648 1.00 0.00 O ATOM 832 CB ARG A 53 -0.068 -5.524 4.171 1.00 0.00 C ATOM 833 CG ARG A 53 -1.096 -5.414 5.298 1.00 0.00 C ATOM 834 CD ARG A 53 -1.925 -6.695 5.411 1.00 0.00 C ATOM 835 NE ARG A 53 -1.049 -7.834 5.766 1.00 0.00 N ATOM 836 CZ ARG A 53 -0.485 -8.003 6.970 1.00 0.00 C ATOM 837 NH1 ARG A 53 -0.702 -7.107 7.942 1.00 0.00 N ATOM 838 NH2 ARG A 53 0.295 -9.067 7.200 1.00 0.00 N ATOM 0 H ARG A 53 -2.040 -4.767 2.773 1.00 0.00 H new ATOM 0 HA ARG A 53 0.272 -3.424 3.893 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.288 -6.398 3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.926 -5.672 4.594 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.587 -5.222 6.242 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.755 -4.565 5.113 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.700 -6.571 6.168 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.431 -6.895 4.467 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.863 -8.535 5.049 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.296 -6.297 7.765 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.273 -7.235 8.859 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.460 -9.748 6.459 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.724 -9.196 8.116 1.00 0.00 H new ATOM 852 N VAL A 54 1.440 -3.374 1.648 1.00 0.00 N ATOM 853 CA VAL A 54 2.357 -3.422 0.523 1.00 0.00 C ATOM 854 C VAL A 54 3.760 -3.768 1.028 1.00 0.00 C ATOM 855 O VAL A 54 4.158 -3.333 2.108 1.00 0.00 O ATOM 856 CB VAL A 54 2.309 -2.102 -0.249 1.00 0.00 C ATOM 857 CG1 VAL A 54 3.403 -2.050 -1.317 1.00 0.00 C ATOM 858 CG2 VAL A 54 0.927 -1.879 -0.867 1.00 0.00 C ATOM 0 H VAL A 54 1.286 -2.442 2.033 1.00 0.00 H new ATOM 0 HA VAL A 54 2.061 -4.203 -0.177 1.00 0.00 H new ATOM 0 HB VAL A 54 2.494 -1.293 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.346 -1.101 -1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.380 -2.141 -0.842 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.264 -2.871 -2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.919 -0.934 -1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.700 -2.694 -1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.176 -1.850 -0.078 1.00 0.00 H new ATOM 868 N PRO A 55 4.489 -4.565 0.202 1.00 0.00 N ATOM 869 CA PRO A 55 5.837 -4.973 0.554 1.00 0.00 C ATOM 870 C PRO A 55 6.826 -3.820 0.369 1.00 0.00 C ATOM 871 O PRO A 55 6.784 -3.119 -0.641 1.00 0.00 O ATOM 872 CB PRO A 55 6.136 -6.163 -0.345 1.00 0.00 C ATOM 873 CG PRO A 55 5.132 -6.086 -1.484 1.00 0.00 C ATOM 874 CD PRO A 55 4.049 -5.097 -1.085 1.00 0.00 C ATOM 0 HA PRO A 55 5.931 -5.250 1.604 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.158 -6.121 -0.722 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.036 -7.101 0.202 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.622 -5.765 -2.403 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.700 -7.067 -1.679 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.944 -4.305 -1.826 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.078 -5.585 -1.001 1.00 0.00 H new ATOM 882 N PHE A 56 7.691 -3.659 1.359 1.00 0.00 N ATOM 883 CA PHE A 56 8.687 -2.603 1.318 1.00 0.00 C ATOM 884 C PHE A 56 9.425 -2.596 -0.023 1.00 0.00 C ATOM 885 O PHE A 56 9.720 -1.534 -0.568 1.00 0.00 O ATOM 886 CB PHE A 56 9.691 -2.890 2.437 1.00 0.00 C ATOM 887 CG PHE A 56 10.451 -1.655 2.924 1.00 0.00 C ATOM 888 CD1 PHE A 56 11.493 -1.168 2.199 1.00 0.00 C ATOM 889 CD2 PHE A 56 10.084 -1.044 4.082 1.00 0.00 C ATOM 890 CE1 PHE A 56 12.199 -0.022 2.651 1.00 0.00 C ATOM 891 CE2 PHE A 56 10.790 0.102 4.534 1.00 0.00 C ATOM 892 CZ PHE A 56 11.832 0.590 3.809 1.00 0.00 C ATOM 0 H PHE A 56 7.723 -4.243 2.195 1.00 0.00 H new ATOM 0 HA PHE A 56 8.205 -1.633 1.442 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.162 -3.334 3.280 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.409 -3.631 2.085 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.784 -1.653 1.279 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.256 -1.430 4.658 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.027 0.364 2.075 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.499 0.587 5.454 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.368 1.463 4.152 1.00 0.00 H new ATOM 902 N VAL A 57 9.701 -3.795 -0.515 1.00 0.00 N ATOM 903 CA VAL A 57 10.398 -3.941 -1.782 1.00 0.00 C ATOM 904 C VAL A 57 9.510 -3.415 -2.912 1.00 0.00 C ATOM 905 O VAL A 57 10.000 -3.091 -3.991 1.00 0.00 O ATOM 906 CB VAL A 57 10.820 -5.398 -1.982 1.00 0.00 C ATOM 907 CG1 VAL A 57 9.675 -6.353 -1.635 1.00 0.00 C ATOM 908 CG2 VAL A 57 11.317 -5.633 -3.409 1.00 0.00 C ATOM 0 H VAL A 57 9.455 -4.674 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 57 11.313 -3.348 -1.785 1.00 0.00 H new ATOM 0 HB VAL A 57 11.646 -5.605 -1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.001 -7.382 -1.786 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.387 -6.213 -0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.820 -6.145 -2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.611 -6.676 -3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.520 -5.400 -4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.175 -4.990 -3.606 1.00 0.00 H new ATOM 918 N ASN A 58 8.218 -3.347 -2.623 1.00 0.00 N ATOM 919 CA ASN A 58 7.257 -2.867 -3.601 1.00 0.00 C ATOM 920 C ASN A 58 6.587 -1.598 -3.069 1.00 0.00 C ATOM 921 O ASN A 58 5.589 -1.140 -3.624 1.00 0.00 O ATOM 922 CB ASN A 58 6.166 -3.907 -3.857 1.00 0.00 C ATOM 923 CG ASN A 58 5.443 -3.629 -5.177 1.00 0.00 C ATOM 924 OD1 ASN A 58 5.995 -3.759 -6.257 1.00 0.00 O ATOM 925 ND2 ASN A 58 4.179 -3.240 -5.030 1.00 0.00 N ATOM 0 H ASN A 58 7.815 -3.616 -1.726 1.00 0.00 H new ATOM 0 HA ASN A 58 7.791 -2.669 -4.531 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.607 -4.903 -3.883 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.449 -3.897 -3.036 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.611 -3.030 -5.851 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.778 -3.151 -4.096 1.00 0.00 H new ATOM 932 N VAL A 59 7.161 -1.067 -2.000 1.00 0.00 N ATOM 933 CA VAL A 59 6.632 0.140 -1.388 1.00 0.00 C ATOM 934 C VAL A 59 7.018 1.350 -2.238 1.00 0.00 C ATOM 935 O VAL A 59 6.295 2.344 -2.275 1.00 0.00 O ATOM 936 CB VAL A 59 7.115 0.248 0.060 1.00 0.00 C ATOM 937 CG1 VAL A 59 7.268 1.711 0.480 1.00 0.00 C ATOM 938 CG2 VAL A 59 6.176 -0.500 1.009 1.00 0.00 C ATOM 0 H VAL A 59 7.988 -1.450 -1.542 1.00 0.00 H new ATOM 0 HA VAL A 59 5.543 0.103 -1.352 1.00 0.00 H new ATOM 0 HB VAL A 59 8.097 -0.222 0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.612 1.759 1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.995 2.201 -0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.306 2.217 0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.542 -0.407 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.175 -0.073 0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.141 -1.553 0.730 1.00 0.00 H new ATOM 948 N GLN A 60 8.158 1.228 -2.902 1.00 0.00 N ATOM 949 CA GLN A 60 8.650 2.300 -3.751 1.00 0.00 C ATOM 950 C GLN A 60 7.831 2.373 -5.042 1.00 0.00 C ATOM 951 O GLN A 60 7.171 3.377 -5.307 1.00 0.00 O ATOM 952 CB GLN A 60 10.138 2.120 -4.055 1.00 0.00 C ATOM 953 CG GLN A 60 10.799 3.462 -4.378 1.00 0.00 C ATOM 954 CD GLN A 60 10.969 4.307 -3.113 1.00 0.00 C ATOM 955 OE1 GLN A 60 11.707 3.967 -2.203 1.00 0.00 O ATOM 956 NE2 GLN A 60 10.245 5.423 -3.108 1.00 0.00 N ATOM 0 H GLN A 60 8.756 0.402 -2.869 1.00 0.00 H new ATOM 0 HA GLN A 60 8.534 3.243 -3.216 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.635 1.663 -3.199 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.261 1.438 -4.897 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.772 3.291 -4.839 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.193 4.005 -5.104 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.648 5.647 -3.904 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.287 6.055 -2.308 1.00 0.00 H new ATOM 965 N ALA A 61 7.901 1.296 -5.811 1.00 0.00 N ATOM 966 CA ALA A 61 7.174 1.226 -7.067 1.00 0.00 C ATOM 967 C ALA A 61 5.727 1.668 -6.840 1.00 0.00 C ATOM 968 O ALA A 61 5.117 2.279 -7.716 1.00 0.00 O ATOM 969 CB ALA A 61 7.268 -0.193 -7.632 1.00 0.00 C ATOM 0 H ALA A 61 8.450 0.465 -5.589 1.00 0.00 H new ATOM 0 HA ALA A 61 7.613 1.900 -7.802 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.723 -0.246 -8.574 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.314 -0.448 -7.803 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.834 -0.897 -6.922 1.00 0.00 H new ATOM 975 N VAL A 62 5.221 1.344 -5.659 1.00 0.00 N ATOM 976 CA VAL A 62 3.858 1.701 -5.306 1.00 0.00 C ATOM 977 C VAL A 62 3.801 3.188 -4.948 1.00 0.00 C ATOM 978 O VAL A 62 2.884 3.895 -5.363 1.00 0.00 O ATOM 979 CB VAL A 62 3.355 0.795 -4.181 1.00 0.00 C ATOM 980 CG1 VAL A 62 2.011 1.288 -3.639 1.00 0.00 C ATOM 981 CG2 VAL A 62 3.258 -0.659 -4.649 1.00 0.00 C ATOM 0 H VAL A 62 5.731 0.838 -4.935 1.00 0.00 H new ATOM 0 HA VAL A 62 3.190 1.545 -6.153 1.00 0.00 H new ATOM 0 HB VAL A 62 4.080 0.837 -3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.676 0.626 -2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.125 2.299 -3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.274 1.290 -4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.898 -1.282 -3.830 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.565 -0.726 -5.487 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.242 -1.006 -4.963 1.00 0.00 H new ATOM 991 N LYS A 63 4.792 3.617 -4.181 1.00 0.00 N ATOM 992 CA LYS A 63 4.867 5.006 -3.763 1.00 0.00 C ATOM 993 C LYS A 63 4.937 5.904 -4.999 1.00 0.00 C ATOM 994 O LYS A 63 4.417 7.019 -4.992 1.00 0.00 O ATOM 995 CB LYS A 63 6.027 5.211 -2.787 1.00 0.00 C ATOM 996 CG LYS A 63 5.572 5.000 -1.341 1.00 0.00 C ATOM 997 CD LYS A 63 5.992 6.176 -0.457 1.00 0.00 C ATOM 998 CE LYS A 63 5.465 6.006 0.969 1.00 0.00 C ATOM 999 NZ LYS A 63 6.524 6.324 1.953 1.00 0.00 N ATOM 0 H LYS A 63 5.550 3.027 -3.838 1.00 0.00 H new ATOM 0 HA LYS A 63 3.967 5.287 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.833 4.516 -3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.430 6.217 -2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.488 4.886 -1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.001 4.077 -0.952 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.079 6.253 -0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.614 7.107 -0.880 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.606 6.659 1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.119 4.983 1.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.535 5.598 2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.447 6.344 1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.334 7.254 2.379 1.00 0.00 H new ATOM 1013 N VAL A 64 5.584 5.384 -6.032 1.00 0.00 N ATOM 1014 CA VAL A 64 5.729 6.125 -7.273 1.00 0.00 C ATOM 1015 C VAL A 64 4.405 6.092 -8.040 1.00 0.00 C ATOM 1016 O VAL A 64 4.052 7.056 -8.719 1.00 0.00 O ATOM 1017 CB VAL A 64 6.902 5.566 -8.083 1.00 0.00 C ATOM 1018 CG1 VAL A 64 6.821 6.011 -9.544 1.00 0.00 C ATOM 1019 CG2 VAL A 64 8.239 5.971 -7.459 1.00 0.00 C ATOM 0 H VAL A 64 6.013 4.459 -6.035 1.00 0.00 H new ATOM 0 HA VAL A 64 5.961 7.170 -7.068 1.00 0.00 H new ATOM 0 HB VAL A 64 6.837 4.478 -8.061 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.666 5.600 -10.097 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.891 5.651 -9.983 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.849 7.099 -9.595 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.056 5.562 -8.053 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.316 7.058 -7.437 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.299 5.582 -6.443 1.00 0.00 H new ATOM 1029 N PHE A 65 3.709 4.973 -7.906 1.00 0.00 N ATOM 1030 CA PHE A 65 2.431 4.802 -8.577 1.00 0.00 C ATOM 1031 C PHE A 65 1.402 5.812 -8.065 1.00 0.00 C ATOM 1032 O PHE A 65 0.839 6.580 -8.843 1.00 0.00 O ATOM 1033 CB PHE A 65 1.943 3.388 -8.257 1.00 0.00 C ATOM 1034 CG PHE A 65 0.792 2.911 -9.145 1.00 0.00 C ATOM 1035 CD1 PHE A 65 0.893 3.008 -10.498 1.00 0.00 C ATOM 1036 CD2 PHE A 65 -0.330 2.389 -8.582 1.00 0.00 C ATOM 1037 CE1 PHE A 65 -0.175 2.564 -11.322 1.00 0.00 C ATOM 1038 CE2 PHE A 65 -1.398 1.946 -9.407 1.00 0.00 C ATOM 1039 CZ PHE A 65 -1.298 2.043 -10.760 1.00 0.00 C ATOM 0 H PHE A 65 4.005 4.176 -7.343 1.00 0.00 H new ATOM 0 HA PHE A 65 2.551 4.958 -9.649 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.778 2.695 -8.359 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.624 3.352 -7.215 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.785 3.422 -10.945 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.409 2.311 -7.508 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.095 2.640 -12.396 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.290 1.532 -8.960 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.110 1.706 -11.387 1.00 0.00 H new ATOM 1049 N LEU A 66 1.189 5.779 -6.757 1.00 0.00 N ATOM 1050 CA LEU A 66 0.238 6.682 -6.132 1.00 0.00 C ATOM 1051 C LEU A 66 0.453 8.097 -6.672 1.00 0.00 C ATOM 1052 O LEU A 66 -0.477 8.717 -7.186 1.00 0.00 O ATOM 1053 CB LEU A 66 0.330 6.585 -4.607 1.00 0.00 C ATOM 1054 CG LEU A 66 -0.355 5.375 -3.969 1.00 0.00 C ATOM 1055 CD1 LEU A 66 0.617 4.604 -3.073 1.00 0.00 C ATOM 1056 CD2 LEU A 66 -1.620 5.793 -3.217 1.00 0.00 C ATOM 0 H LEU A 66 1.659 5.142 -6.114 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.783 6.396 -6.386 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.383 6.571 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.102 7.490 -4.179 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.664 4.698 -4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.105 3.749 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.461 4.254 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.979 5.259 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.087 4.914 -2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.359 6.501 -2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.317 6.263 -3.911 1.00 0.00 H new ATOM 1068 N GLU A 67 1.684 8.567 -6.536 1.00 0.00 N ATOM 1069 CA GLU A 67 2.033 9.898 -7.004 1.00 0.00 C ATOM 1070 C GLU A 67 1.725 10.033 -8.496 1.00 0.00 C ATOM 1071 O GLU A 67 1.138 11.026 -8.925 1.00 0.00 O ATOM 1072 CB GLU A 67 3.503 10.211 -6.717 1.00 0.00 C ATOM 1073 CG GLU A 67 3.665 10.878 -5.350 1.00 0.00 C ATOM 1074 CD GLU A 67 4.001 12.362 -5.499 1.00 0.00 C ATOM 1075 OE1 GLU A 67 5.187 12.651 -5.771 1.00 0.00 O ATOM 1076 OE2 GLU A 67 3.065 13.176 -5.338 1.00 0.00 O ATOM 0 H GLU A 67 2.452 8.050 -6.108 1.00 0.00 H new ATOM 0 HA GLU A 67 1.428 10.624 -6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.087 9.291 -6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.897 10.866 -7.494 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.745 10.766 -4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.454 10.378 -4.789 1.00 0.00 H new ATOM 1083 N SER A 68 2.135 9.021 -9.247 1.00 0.00 N ATOM 1084 CA SER A 68 1.909 9.015 -10.683 1.00 0.00 C ATOM 1085 C SER A 68 0.422 9.217 -10.980 1.00 0.00 C ATOM 1086 O SER A 68 0.063 9.986 -11.869 1.00 0.00 O ATOM 1087 CB SER A 68 2.404 7.711 -11.312 1.00 0.00 C ATOM 1088 OG SER A 68 1.386 6.714 -11.344 1.00 0.00 O ATOM 0 H SER A 68 2.622 8.200 -8.888 1.00 0.00 H new ATOM 0 HA SER A 68 2.475 9.837 -11.122 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.752 7.907 -12.326 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.259 7.338 -10.748 1.00 0.00 H new ATOM 0 HG SER A 68 1.223 6.384 -10.436 1.00 0.00 H new ATOM 1094 N GLN A 69 -0.402 8.512 -10.218 1.00 0.00 N ATOM 1095 CA GLN A 69 -1.841 8.605 -10.389 1.00 0.00 C ATOM 1096 C GLN A 69 -2.378 9.863 -9.702 1.00 0.00 C ATOM 1097 O GLN A 69 -3.589 10.053 -9.606 1.00 0.00 O ATOM 1098 CB GLN A 69 -2.539 7.351 -9.858 1.00 0.00 C ATOM 1099 CG GLN A 69 -2.257 7.156 -8.367 1.00 0.00 C ATOM 1100 CD GLN A 69 -3.118 6.033 -7.787 1.00 0.00 C ATOM 1101 OE1 GLN A 69 -2.631 5.091 -7.183 1.00 0.00 O ATOM 1102 NE2 GLN A 69 -4.421 6.183 -8.004 1.00 0.00 N ATOM 0 H GLN A 69 -0.100 7.874 -9.481 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.056 8.677 -11.455 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.614 7.432 -10.021 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.198 6.478 -10.414 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.202 6.923 -8.220 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.455 8.084 -7.832 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.762 6.996 -8.517 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.079 5.485 -7.657 1.00 0.00 H new ATOM 1111 N GLY A 70 -1.449 10.688 -9.242 1.00 0.00 N ATOM 1112 CA GLY A 70 -1.814 11.923 -8.568 1.00 0.00 C ATOM 1113 C GLY A 70 -2.823 11.659 -7.449 1.00 0.00 C ATOM 1114 O GLY A 70 -3.876 12.293 -7.396 1.00 0.00 O ATOM 0 H GLY A 70 -0.445 10.526 -9.322 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.922 12.393 -8.155 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.239 12.623 -9.288 1.00 0.00 H new ATOM 1118 N ILE A 71 -2.467 10.722 -6.583 1.00 0.00 N ATOM 1119 CA ILE A 71 -3.329 10.366 -5.468 1.00 0.00 C ATOM 1120 C ILE A 71 -2.686 10.834 -4.162 1.00 0.00 C ATOM 1121 O ILE A 71 -1.583 11.379 -4.169 1.00 0.00 O ATOM 1122 CB ILE A 71 -3.649 8.870 -5.496 1.00 0.00 C ATOM 1123 CG1 ILE A 71 -4.908 8.564 -4.680 1.00 0.00 C ATOM 1124 CG2 ILE A 71 -2.450 8.044 -5.029 1.00 0.00 C ATOM 1125 CD1 ILE A 71 -5.682 7.391 -5.285 1.00 0.00 C ATOM 0 H ILE A 71 -1.593 10.198 -6.631 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.289 10.875 -5.550 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.855 8.584 -6.527 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.631 8.330 -3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.547 9.447 -4.645 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.704 6.985 -5.059 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.601 8.232 -5.686 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.189 8.326 -4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.571 7.195 -4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.978 7.638 -6.305 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.049 6.504 -5.296 1.00 0.00 H new ATOM 1137 N ALA A 72 -3.402 10.604 -3.071 1.00 0.00 N ATOM 1138 CA ALA A 72 -2.915 10.995 -1.759 1.00 0.00 C ATOM 1139 C ALA A 72 -2.987 9.795 -0.814 1.00 0.00 C ATOM 1140 O ALA A 72 -4.062 9.241 -0.589 1.00 0.00 O ATOM 1141 CB ALA A 72 -3.724 12.189 -1.249 1.00 0.00 C ATOM 0 H ALA A 72 -4.316 10.152 -3.069 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.872 11.308 -1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.359 12.482 -0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.615 13.025 -1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.776 11.912 -1.178 1.00 0.00 H new ATOM 1147 N TYR A 73 -1.829 9.426 -0.286 1.00 0.00 N ATOM 1148 CA TYR A 73 -1.748 8.301 0.629 1.00 0.00 C ATOM 1149 C TYR A 73 -1.054 8.704 1.933 1.00 0.00 C ATOM 1150 O TYR A 73 -0.822 9.886 2.177 1.00 0.00 O ATOM 1151 CB TYR A 73 -0.901 7.242 -0.079 1.00 0.00 C ATOM 1152 CG TYR A 73 0.244 7.817 -0.915 1.00 0.00 C ATOM 1153 CD1 TYR A 73 -0.033 8.525 -2.067 1.00 0.00 C ATOM 1154 CD2 TYR A 73 1.551 7.627 -0.518 1.00 0.00 C ATOM 1155 CE1 TYR A 73 1.045 9.066 -2.855 1.00 0.00 C ATOM 1156 CE2 TYR A 73 2.629 8.168 -1.306 1.00 0.00 C ATOM 1157 CZ TYR A 73 2.322 8.861 -2.436 1.00 0.00 C ATOM 1158 OH TYR A 73 3.339 9.372 -3.180 1.00 0.00 O ATOM 0 H TYR A 73 -0.939 9.887 -0.475 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.745 7.939 0.882 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.487 6.564 0.667 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.547 6.648 -0.726 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.057 8.673 -2.377 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.766 7.073 0.384 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.843 9.622 -3.759 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.657 8.027 -1.007 1.00 0.00 H new ATOM 0 HH TYR A 73 3.620 8.712 -3.847 1.00 0.00 H new ATOM 1168 N SER A 74 -0.743 7.697 2.735 1.00 0.00 N ATOM 1169 CA SER A 74 -0.081 7.931 4.008 1.00 0.00 C ATOM 1170 C SER A 74 0.579 6.642 4.499 1.00 0.00 C ATOM 1171 O SER A 74 0.193 5.547 4.090 1.00 0.00 O ATOM 1172 CB SER A 74 -1.067 8.455 5.054 1.00 0.00 C ATOM 1173 OG SER A 74 -0.423 9.260 6.038 1.00 0.00 O ATOM 0 H SER A 74 -0.937 6.717 2.529 1.00 0.00 H new ATOM 0 HA SER A 74 0.686 8.691 3.860 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.844 9.039 4.560 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.561 7.614 5.540 1.00 0.00 H new ATOM 0 HG SER A 74 -1.086 9.577 6.687 1.00 0.00 H new ATOM 1179 N ILE A 75 1.564 6.813 5.370 1.00 0.00 N ATOM 1180 CA ILE A 75 2.280 5.675 5.922 1.00 0.00 C ATOM 1181 C ILE A 75 1.726 5.354 7.311 1.00 0.00 C ATOM 1182 O ILE A 75 1.931 6.114 8.256 1.00 0.00 O ATOM 1183 CB ILE A 75 3.788 5.934 5.906 1.00 0.00 C ATOM 1184 CG1 ILE A 75 4.277 6.240 4.488 1.00 0.00 C ATOM 1185 CG2 ILE A 75 4.551 4.767 6.536 1.00 0.00 C ATOM 1186 CD1 ILE A 75 4.211 7.741 4.197 1.00 0.00 C ATOM 0 H ILE A 75 1.882 7.722 5.706 1.00 0.00 H new ATOM 0 HA ILE A 75 2.124 4.790 5.305 1.00 0.00 H new ATOM 0 HB ILE A 75 3.990 6.816 6.513 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.302 5.888 4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.667 5.699 3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.620 4.976 6.512 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.230 4.638 7.569 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.347 3.854 5.976 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.564 7.931 3.183 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.181 8.085 4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.841 8.277 4.907 1.00 0.00 H new ATOM 1198 N MET A 76 1.036 4.227 7.391 1.00 0.00 N ATOM 1199 CA MET A 76 0.451 3.794 8.649 1.00 0.00 C ATOM 1200 C MET A 76 1.517 3.214 9.579 1.00 0.00 C ATOM 1201 O MET A 76 1.836 3.805 10.610 1.00 0.00 O ATOM 1202 CB MET A 76 -0.621 2.737 8.377 1.00 0.00 C ATOM 1203 CG MET A 76 -1.692 2.749 9.470 1.00 0.00 C ATOM 1204 SD MET A 76 -0.956 2.367 11.051 1.00 0.00 S ATOM 1205 CE MET A 76 -1.928 3.424 12.110 1.00 0.00 C ATOM 0 H MET A 76 0.868 3.599 6.605 1.00 0.00 H new ATOM 0 HA MET A 76 0.004 4.660 9.137 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.083 2.924 7.408 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.160 1.751 8.326 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.172 3.727 9.510 1.00 0.00 H new ATOM 0 HG3 MET A 76 -2.470 2.022 9.237 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.597 3.309 13.142 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.802 4.462 11.802 1.00 0.00 H new ATOM 0 HE3 MET A 76 -2.980 3.148 12.033 1.00 0.00 H new ATOM 1215 N ILE A 77 2.040 2.063 9.182 1.00 0.00 N ATOM 1216 CA ILE A 77 3.064 1.395 9.967 1.00 0.00 C ATOM 1217 C ILE A 77 4.361 1.331 9.158 1.00 0.00 C ATOM 1218 O ILE A 77 4.329 1.329 7.928 1.00 0.00 O ATOM 1219 CB ILE A 77 2.569 0.028 10.443 1.00 0.00 C ATOM 1220 CG1 ILE A 77 3.662 -0.713 11.216 1.00 0.00 C ATOM 1221 CG2 ILE A 77 2.033 -0.799 9.273 1.00 0.00 C ATOM 1222 CD1 ILE A 77 3.212 -2.129 11.580 1.00 0.00 C ATOM 0 H ILE A 77 1.773 1.576 8.326 1.00 0.00 H new ATOM 0 HA ILE A 77 3.280 1.963 10.872 1.00 0.00 H new ATOM 0 HB ILE A 77 1.739 0.186 11.132 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.570 -0.759 10.615 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.908 -0.161 12.123 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.688 -1.766 9.639 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.203 -0.271 8.804 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.826 -0.950 8.541 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.007 -2.634 12.129 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.318 -2.078 12.201 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.990 -2.685 10.669 1.00 0.00 H new ATOM 1234 N GLU A 78 5.470 1.280 9.880 1.00 0.00 N ATOM 1235 CA GLU A 78 6.775 1.217 9.243 1.00 0.00 C ATOM 1236 C GLU A 78 7.717 0.323 10.053 1.00 0.00 C ATOM 1237 O GLU A 78 7.291 -0.683 10.618 1.00 0.00 O ATOM 1238 CB GLU A 78 7.367 2.616 9.065 1.00 0.00 C ATOM 1239 CG GLU A 78 8.283 2.671 7.839 1.00 0.00 C ATOM 1240 CD GLU A 78 9.523 3.521 8.121 1.00 0.00 C ATOM 1241 OE1 GLU A 78 10.403 3.016 8.852 1.00 0.00 O ATOM 1242 OE2 GLU A 78 9.565 4.656 7.598 1.00 0.00 O ATOM 0 H GLU A 78 5.492 1.281 10.900 1.00 0.00 H new ATOM 0 HA GLU A 78 6.653 0.781 8.251 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.563 3.344 8.956 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.929 2.893 9.957 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.585 1.661 7.560 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.738 3.086 6.991 1.00 0.00 H new ATOM 1249 N ASP A 79 8.979 0.723 10.084 1.00 0.00 N ATOM 1250 CA ASP A 79 9.986 -0.029 10.815 1.00 0.00 C ATOM 1251 C ASP A 79 9.991 0.422 12.276 1.00 0.00 C ATOM 1252 O ASP A 79 10.902 1.126 12.708 1.00 0.00 O ATOM 1253 CB ASP A 79 11.382 0.215 10.239 1.00 0.00 C ATOM 1254 CG ASP A 79 11.804 -0.756 9.134 1.00 0.00 C ATOM 1255 OD1 ASP A 79 10.939 -1.060 8.284 1.00 0.00 O ATOM 1256 OD2 ASP A 79 12.983 -1.171 9.163 1.00 0.00 O ATOM 0 H ASP A 79 9.328 1.559 9.615 1.00 0.00 H new ATOM 0 HA ASP A 79 9.743 -1.088 10.732 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.424 1.230 9.845 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.108 0.157 11.050 1.00 0.00 H new ATOM 1261 N VAL A 80 8.964 -0.002 12.998 1.00 0.00 N ATOM 1262 CA VAL A 80 8.840 0.349 14.402 1.00 0.00 C ATOM 1263 C VAL A 80 10.215 0.273 15.067 1.00 0.00 C ATOM 1264 O VAL A 80 10.735 -0.816 15.304 1.00 0.00 O ATOM 1265 CB VAL A 80 7.799 -0.548 15.076 1.00 0.00 C ATOM 1266 CG1 VAL A 80 8.385 -1.927 15.387 1.00 0.00 C ATOM 1267 CG2 VAL A 80 7.243 0.110 16.340 1.00 0.00 C ATOM 0 H VAL A 80 8.210 -0.586 12.636 1.00 0.00 H new ATOM 0 HA VAL A 80 8.485 1.374 14.509 1.00 0.00 H new ATOM 0 HB VAL A 80 6.972 -0.684 14.379 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.626 -2.546 15.866 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.709 -2.402 14.461 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.238 -1.817 16.056 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.506 -0.549 16.799 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.056 0.291 17.044 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.771 1.057 16.080 1.00 0.00 H new ATOM 1277 N GLN A 81 10.766 1.445 15.348 1.00 0.00 N ATOM 1278 CA GLN A 81 12.072 1.524 15.981 1.00 0.00 C ATOM 1279 C GLN A 81 12.080 0.722 17.283 1.00 0.00 C ATOM 1280 O GLN A 81 13.127 0.561 17.911 1.00 0.00 O ATOM 1281 CB GLN A 81 12.473 2.979 16.230 1.00 0.00 C ATOM 1282 CG GLN A 81 11.443 3.688 17.112 1.00 0.00 C ATOM 1283 CD GLN A 81 10.968 4.990 16.462 1.00 0.00 C ATOM 1284 OE1 GLN A 81 11.751 5.815 16.021 1.00 0.00 O ATOM 1285 NE2 GLN A 81 9.645 5.126 16.429 1.00 0.00 N ATOM 0 H GLN A 81 10.333 2.347 15.149 1.00 0.00 H new ATOM 0 HA GLN A 81 12.809 1.089 15.305 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.452 3.014 16.708 1.00 0.00 H new ATOM 0 HB3 GLN A 81 12.564 3.503 15.278 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.591 3.030 17.282 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.880 3.903 18.087 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.047 4.396 16.817 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.228 5.960 16.016 1.00 0.00 H new TER 1294 GLN A 81