USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 569 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 60 GLN : amide:sc= -0.327 K(o=-2.2,f=-0.23) USER MOD Set 1.2: A 67 GLN : amide:sc= -1.84 K(o=-2.2,f=-0.23) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.712 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.0169 X(o=-0.017,f=-0.44) USER MOD Single : A 20 GLN : amide:sc= -0.369 K(o=-0.37,f=-3.3!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0182) USER MOD Single : A 28 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-0.48) USER MOD Single : A 30 SER OG : rot -54:sc= 0.0331 USER MOD Single : A 31 HIS : no HD1:sc= -0.051 X(o=-0.051,f=-0.17) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0167 X(o=-0.017,f=-0.017) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0392 USER MOD Single : A 38 HIS : no HD1:sc= -0.415 K(o=-0.41,f=-4!) USER MOD Single : A 58 GLN : amide:sc= -0.925 X(o=-0.92,f=-0.91) USER MOD Single : A 62 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.9!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -21:sc= 0.445 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 0.469 -2.622 -2.641 1.00 0.00 N ATOM 19 CA ASP A 2 0.592 -3.859 -3.403 1.00 0.00 C ATOM 20 C ASP A 2 1.168 -3.589 -4.789 1.00 0.00 C ATOM 21 O ASP A 2 0.558 -2.892 -5.600 1.00 0.00 O ATOM 22 CB ASP A 2 -0.769 -4.545 -3.527 1.00 0.00 C ATOM 23 CG ASP A 2 -0.648 -6.044 -3.714 1.00 0.00 C ATOM 24 OD1 ASP A 2 -0.445 -6.484 -4.865 1.00 0.00 O ATOM 25 OD2 ASP A 2 -0.756 -6.779 -2.710 1.00 0.00 O ATOM 0 HA ASP A 2 1.275 -4.519 -2.868 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.358 -4.340 -2.633 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.311 -4.119 -4.371 1.00 0.00 H new ATOM 30 N ARG A 3 2.346 -4.144 -5.054 1.00 0.00 N ATOM 31 CA ARG A 3 3.005 -3.960 -6.342 1.00 0.00 C ATOM 32 C ARG A 3 2.827 -5.192 -7.224 1.00 0.00 C ATOM 33 O ARG A 3 2.865 -6.324 -6.741 1.00 0.00 O ATOM 34 CB ARG A 3 4.494 -3.675 -6.140 1.00 0.00 C ATOM 35 CG ARG A 3 4.777 -2.654 -5.050 1.00 0.00 C ATOM 36 CD ARG A 3 6.269 -2.510 -4.795 1.00 0.00 C ATOM 37 NE ARG A 3 6.802 -3.627 -4.020 1.00 0.00 N ATOM 38 CZ ARG A 3 8.094 -3.788 -3.757 1.00 0.00 C ATOM 39 NH1 ARG A 3 8.980 -2.909 -4.205 1.00 0.00 N ATOM 40 NH2 ARG A 3 8.502 -4.831 -3.045 1.00 0.00 N ATOM 0 H ARG A 3 2.864 -4.725 -4.394 1.00 0.00 H new ATOM 0 HA ARG A 3 2.543 -3.108 -6.840 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.003 -4.607 -5.894 1.00 0.00 H new ATOM 0 HB3 ARG A 3 4.918 -3.318 -7.079 1.00 0.00 H new ATOM 0 HG2 ARG A 3 4.361 -1.688 -5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 3 4.277 -2.955 -4.129 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.795 -2.446 -5.748 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.458 -1.577 -4.263 1.00 0.00 H new ATOM 0 HE ARG A 3 6.147 -4.321 -3.661 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.670 -2.107 -4.753 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.971 -3.035 -4.001 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.823 -5.510 -2.699 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.494 -4.954 -2.843 1.00 0.00 H new ATOM 54 N ILE A 4 2.631 -4.963 -8.518 1.00 0.00 N ATOM 55 CA ILE A 4 2.448 -6.054 -9.467 1.00 0.00 C ATOM 56 C ILE A 4 3.299 -5.846 -10.715 1.00 0.00 C ATOM 57 O ILE A 4 3.016 -4.971 -11.534 1.00 0.00 O ATOM 58 CB ILE A 4 0.972 -6.195 -9.884 1.00 0.00 C ATOM 59 CG1 ILE A 4 0.096 -6.454 -8.657 1.00 0.00 C ATOM 60 CG2 ILE A 4 0.814 -7.316 -10.901 1.00 0.00 C ATOM 61 CD1 ILE A 4 -1.037 -5.463 -8.504 1.00 0.00 C ATOM 0 H ILE A 4 2.595 -4.032 -8.933 1.00 0.00 H new ATOM 0 HA ILE A 4 2.764 -6.967 -8.963 1.00 0.00 H new ATOM 0 HB ILE A 4 0.649 -5.263 -10.347 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.318 -7.460 -8.722 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.719 -6.423 -7.763 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.234 -7.404 -11.186 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.413 -7.093 -11.784 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.150 -8.255 -10.462 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.616 -5.707 -7.614 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.630 -4.457 -8.407 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.683 -5.510 -9.381 1.00 0.00 H new ATOM 73 N PHE A 5 4.343 -6.657 -10.855 1.00 0.00 N ATOM 74 CA PHE A 5 5.236 -6.562 -12.004 1.00 0.00 C ATOM 75 C PHE A 5 5.033 -7.743 -12.949 1.00 0.00 C ATOM 76 O PHE A 5 5.177 -8.900 -12.553 1.00 0.00 O ATOM 77 CB PHE A 5 6.694 -6.510 -11.541 1.00 0.00 C ATOM 78 CG PHE A 5 6.991 -5.357 -10.626 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.649 -5.414 -9.284 1.00 0.00 C ATOM 80 CD2 PHE A 5 7.611 -4.215 -11.107 1.00 0.00 C ATOM 81 CE1 PHE A 5 6.921 -4.355 -8.439 1.00 0.00 C ATOM 82 CE2 PHE A 5 7.887 -3.153 -10.267 1.00 0.00 C ATOM 83 CZ PHE A 5 7.540 -3.222 -8.932 1.00 0.00 C ATOM 0 H PHE A 5 4.591 -7.387 -10.187 1.00 0.00 H new ATOM 0 HA PHE A 5 5.000 -5.644 -12.541 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.938 -7.441 -11.030 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.342 -6.446 -12.415 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.164 -6.297 -8.894 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.882 -4.154 -12.151 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.650 -4.413 -7.395 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.374 -2.270 -10.654 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.752 -2.392 -8.274 1.00 0.00 H new ATOM 93 N MET A 6 4.697 -7.442 -14.199 1.00 0.00 N ATOM 94 CA MET A 6 4.475 -8.478 -15.201 1.00 0.00 C ATOM 95 C MET A 6 5.233 -8.163 -16.486 1.00 0.00 C ATOM 96 O MET A 6 5.521 -7.003 -16.781 1.00 0.00 O ATOM 97 CB MET A 6 2.980 -8.618 -15.498 1.00 0.00 C ATOM 98 CG MET A 6 2.332 -9.806 -14.806 1.00 0.00 C ATOM 99 SD MET A 6 2.191 -9.579 -13.023 1.00 0.00 S ATOM 100 CE MET A 6 1.094 -10.930 -12.595 1.00 0.00 C ATOM 0 H MET A 6 4.573 -6.490 -14.542 1.00 0.00 H new ATOM 0 HA MET A 6 4.849 -9.421 -14.802 1.00 0.00 H new ATOM 0 HB2 MET A 6 2.470 -7.706 -15.190 1.00 0.00 H new ATOM 0 HB3 MET A 6 2.839 -8.714 -16.575 1.00 0.00 H new ATOM 0 HG2 MET A 6 1.340 -9.970 -15.227 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.917 -10.703 -15.009 1.00 0.00 H new ATOM 0 HE1 MET A 6 0.911 -10.923 -11.521 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.149 -10.813 -13.125 1.00 0.00 H new ATOM 0 HE3 MET A 6 1.554 -11.876 -12.879 1.00 0.00 H new ATOM 110 N THR A 7 5.554 -9.204 -17.249 1.00 0.00 N ATOM 111 CA THR A 7 6.281 -9.039 -18.501 1.00 0.00 C ATOM 112 C THR A 7 5.355 -8.565 -19.615 1.00 0.00 C ATOM 113 O THR A 7 4.164 -8.344 -19.394 1.00 0.00 O ATOM 114 CB THR A 7 6.958 -10.352 -18.936 1.00 0.00 C ATOM 115 OG1 THR A 7 5.974 -11.273 -19.421 1.00 0.00 O ATOM 116 CG2 THR A 7 7.718 -10.979 -17.777 1.00 0.00 C ATOM 0 H THR A 7 5.321 -10.171 -17.021 1.00 0.00 H new ATOM 0 HA THR A 7 7.048 -8.285 -18.324 1.00 0.00 H new ATOM 0 HB THR A 7 7.666 -10.123 -19.733 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.412 -12.105 -19.697 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.188 -11.905 -18.108 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.485 -10.288 -17.428 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.026 -11.194 -16.962 1.00 0.00 H new ATOM 124 N ARG A 8 5.909 -8.411 -20.813 1.00 0.00 N ATOM 125 CA ARG A 8 5.131 -7.962 -21.963 1.00 0.00 C ATOM 126 C ARG A 8 3.912 -8.855 -22.176 1.00 0.00 C ATOM 127 O ARG A 8 2.800 -8.368 -22.380 1.00 0.00 O ATOM 128 CB ARG A 8 6.000 -7.957 -23.222 1.00 0.00 C ATOM 129 CG ARG A 8 6.714 -9.274 -23.475 1.00 0.00 C ATOM 130 CD ARG A 8 7.713 -9.156 -24.615 1.00 0.00 C ATOM 131 NE ARG A 8 8.727 -10.207 -24.565 1.00 0.00 N ATOM 132 CZ ARG A 8 9.736 -10.215 -23.701 1.00 0.00 C ATOM 133 NH1 ARG A 8 9.865 -9.233 -22.819 1.00 0.00 N ATOM 134 NH2 ARG A 8 10.618 -11.206 -23.718 1.00 0.00 N ATOM 0 H ARG A 8 6.893 -8.590 -21.013 1.00 0.00 H new ATOM 0 HA ARG A 8 4.786 -6.947 -21.764 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.375 -7.721 -24.083 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.741 -7.162 -23.138 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.231 -9.589 -22.568 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.982 -10.047 -23.710 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.185 -9.207 -25.567 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.199 -8.181 -24.572 1.00 0.00 H new ATOM 0 HE ARG A 8 8.656 -10.977 -25.230 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.189 -8.470 -22.803 1.00 0.00 H new ATOM 0 HH12 ARG A 8 10.641 -9.241 -22.156 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.522 -11.963 -24.395 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.392 -11.211 -23.054 1.00 0.00 H new ATOM 148 N THR A 9 4.130 -10.166 -22.129 1.00 0.00 N ATOM 149 CA THR A 9 3.050 -11.126 -22.319 1.00 0.00 C ATOM 150 C THR A 9 2.125 -11.161 -21.108 1.00 0.00 C ATOM 151 O THR A 9 0.905 -11.081 -21.246 1.00 0.00 O ATOM 152 CB THR A 9 3.598 -12.544 -22.572 1.00 0.00 C ATOM 153 OG1 THR A 9 4.615 -12.503 -23.580 1.00 0.00 O ATOM 154 CG2 THR A 9 2.484 -13.485 -23.006 1.00 0.00 C ATOM 0 H THR A 9 5.044 -10.586 -21.961 1.00 0.00 H new ATOM 0 HA THR A 9 2.487 -10.799 -23.193 1.00 0.00 H new ATOM 0 HB THR A 9 4.025 -12.917 -21.641 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.960 -13.407 -23.734 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.895 -14.480 -23.179 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.726 -13.536 -22.225 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.032 -13.114 -23.926 1.00 0.00 H new ATOM 162 N GLU A 10 2.714 -11.279 -19.922 1.00 0.00 N ATOM 163 CA GLU A 10 1.940 -11.324 -18.687 1.00 0.00 C ATOM 164 C GLU A 10 1.127 -10.045 -18.508 1.00 0.00 C ATOM 165 O GLU A 10 0.159 -10.013 -17.749 1.00 0.00 O ATOM 166 CB GLU A 10 2.866 -11.525 -17.486 1.00 0.00 C ATOM 167 CG GLU A 10 3.801 -12.714 -17.630 1.00 0.00 C ATOM 168 CD GLU A 10 3.066 -14.040 -17.603 1.00 0.00 C ATOM 169 OE1 GLU A 10 1.916 -14.070 -17.117 1.00 0.00 O ATOM 170 OE2 GLU A 10 3.640 -15.047 -18.068 1.00 0.00 O ATOM 0 H GLU A 10 3.723 -11.345 -19.790 1.00 0.00 H new ATOM 0 HA GLU A 10 1.251 -12.166 -18.750 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.460 -10.622 -17.341 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.261 -11.656 -16.589 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.352 -12.627 -18.567 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.536 -12.693 -16.825 1.00 0.00 H new ATOM 177 N ALA A 11 1.529 -8.992 -19.212 1.00 0.00 N ATOM 178 CA ALA A 11 0.838 -7.711 -19.132 1.00 0.00 C ATOM 179 C ALA A 11 -0.664 -7.884 -19.330 1.00 0.00 C ATOM 180 O ALA A 11 -1.463 -7.104 -18.810 1.00 0.00 O ATOM 181 CB ALA A 11 1.400 -6.743 -20.163 1.00 0.00 C ATOM 0 H ALA A 11 2.330 -9.001 -19.844 1.00 0.00 H new ATOM 0 HA ALA A 11 1.002 -7.300 -18.136 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.875 -5.791 -20.092 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.462 -6.587 -19.974 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.266 -7.158 -21.162 1.00 0.00 H new ATOM 187 N LEU A 12 -1.042 -8.910 -20.085 1.00 0.00 N ATOM 188 CA LEU A 12 -2.450 -9.185 -20.352 1.00 0.00 C ATOM 189 C LEU A 12 -3.258 -9.196 -19.059 1.00 0.00 C ATOM 190 O LEU A 12 -4.321 -8.582 -18.975 1.00 0.00 O ATOM 191 CB LEU A 12 -2.599 -10.526 -21.072 1.00 0.00 C ATOM 192 CG LEU A 12 -1.935 -10.629 -22.445 1.00 0.00 C ATOM 193 CD1 LEU A 12 -1.484 -12.057 -22.714 1.00 0.00 C ATOM 194 CD2 LEU A 12 -2.885 -10.154 -23.534 1.00 0.00 C ATOM 0 H LEU A 12 -0.394 -9.565 -20.523 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.835 -8.391 -20.992 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.187 -11.307 -20.432 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.662 -10.737 -21.188 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.056 -9.985 -22.451 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.014 -12.111 -23.696 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.768 -12.362 -21.951 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.347 -12.722 -22.688 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.395 -10.234 -24.504 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.783 -10.772 -23.528 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.158 -9.115 -23.351 1.00 0.00 H new ATOM 206 N GLU A 13 -2.744 -9.896 -18.052 1.00 0.00 N ATOM 207 CA GLU A 13 -3.418 -9.984 -16.762 1.00 0.00 C ATOM 208 C GLU A 13 -3.763 -8.596 -16.232 1.00 0.00 C ATOM 209 O GLU A 13 -4.844 -8.379 -15.682 1.00 0.00 O ATOM 210 CB GLU A 13 -2.539 -10.724 -15.752 1.00 0.00 C ATOM 211 CG GLU A 13 -2.437 -12.218 -16.013 1.00 0.00 C ATOM 212 CD GLU A 13 -3.607 -12.992 -15.435 1.00 0.00 C ATOM 213 OE1 GLU A 13 -3.867 -12.854 -14.222 1.00 0.00 O ATOM 214 OE2 GLU A 13 -4.261 -13.735 -16.196 1.00 0.00 O ATOM 0 H GLU A 13 -1.864 -10.410 -18.105 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.345 -10.540 -16.903 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.539 -10.292 -15.768 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.938 -10.565 -14.750 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.386 -12.393 -17.088 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.509 -12.596 -15.584 1.00 0.00 H new ATOM 221 N PHE A 14 -2.837 -7.658 -16.400 1.00 0.00 N ATOM 222 CA PHE A 14 -3.041 -6.290 -15.937 1.00 0.00 C ATOM 223 C PHE A 14 -4.106 -5.587 -16.772 1.00 0.00 C ATOM 224 O PHE A 14 -5.024 -4.967 -16.234 1.00 0.00 O ATOM 225 CB PHE A 14 -1.728 -5.507 -16.000 1.00 0.00 C ATOM 226 CG PHE A 14 -1.901 -4.029 -15.791 1.00 0.00 C ATOM 227 CD1 PHE A 14 -2.729 -3.550 -14.789 1.00 0.00 C ATOM 228 CD2 PHE A 14 -1.235 -3.120 -16.597 1.00 0.00 C ATOM 229 CE1 PHE A 14 -2.890 -2.191 -14.595 1.00 0.00 C ATOM 230 CE2 PHE A 14 -1.392 -1.760 -16.407 1.00 0.00 C ATOM 231 CZ PHE A 14 -2.220 -1.295 -15.405 1.00 0.00 C ATOM 0 H PHE A 14 -1.938 -7.820 -16.853 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.383 -6.330 -14.903 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.046 -5.895 -15.244 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.259 -5.676 -16.969 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.255 -4.246 -14.152 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.586 -3.478 -17.382 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.539 -1.830 -13.811 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.867 -1.062 -17.042 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.344 -0.233 -15.255 1.00 0.00 H new ATOM 241 N LEU A 15 -3.978 -5.687 -18.090 1.00 0.00 N ATOM 242 CA LEU A 15 -4.929 -5.060 -19.002 1.00 0.00 C ATOM 243 C LEU A 15 -6.360 -5.449 -18.647 1.00 0.00 C ATOM 244 O LEU A 15 -7.258 -4.606 -18.632 1.00 0.00 O ATOM 245 CB LEU A 15 -4.622 -5.462 -20.446 1.00 0.00 C ATOM 246 CG LEU A 15 -3.201 -5.176 -20.934 1.00 0.00 C ATOM 247 CD1 LEU A 15 -2.969 -5.808 -22.298 1.00 0.00 C ATOM 248 CD2 LEU A 15 -2.948 -3.676 -20.990 1.00 0.00 C ATOM 0 H LEU A 15 -3.225 -6.197 -18.552 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.831 -3.979 -18.904 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.814 -6.530 -20.554 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.321 -4.945 -21.103 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.498 -5.617 -20.227 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.953 -5.594 -22.630 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.109 -6.887 -22.228 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.679 -5.396 -23.015 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.932 -3.491 -21.339 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.657 -3.213 -21.676 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.073 -3.249 -19.995 1.00 0.00 H new ATOM 260 N LEU A 16 -6.566 -6.730 -18.360 1.00 0.00 N ATOM 261 CA LEU A 16 -7.888 -7.231 -18.002 1.00 0.00 C ATOM 262 C LEU A 16 -8.190 -6.969 -16.530 1.00 0.00 C ATOM 263 O LEU A 16 -9.350 -6.846 -16.135 1.00 0.00 O ATOM 264 CB LEU A 16 -7.984 -8.729 -18.296 1.00 0.00 C ATOM 265 CG LEU A 16 -9.397 -9.294 -18.450 1.00 0.00 C ATOM 266 CD1 LEU A 16 -9.838 -9.239 -19.904 1.00 0.00 C ATOM 267 CD2 LEU A 16 -9.461 -10.720 -17.924 1.00 0.00 C ATOM 0 H LEU A 16 -5.834 -7.440 -18.368 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.626 -6.701 -18.604 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.430 -8.935 -19.212 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.484 -9.269 -17.492 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.080 -8.681 -17.862 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.845 -9.645 -19.994 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.832 -8.204 -20.247 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.153 -9.828 -20.514 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.474 -11.106 -18.041 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.767 -11.346 -18.484 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.189 -10.731 -16.869 1.00 0.00 H new ATOM 279 N LYS A 17 -7.139 -6.882 -15.723 1.00 0.00 N ATOM 280 CA LYS A 17 -7.289 -6.631 -14.294 1.00 0.00 C ATOM 281 C LYS A 17 -7.960 -5.284 -14.046 1.00 0.00 C ATOM 282 O LYS A 17 -9.016 -5.212 -13.417 1.00 0.00 O ATOM 283 CB LYS A 17 -5.925 -6.668 -13.602 1.00 0.00 C ATOM 284 CG LYS A 17 -5.960 -6.186 -12.162 1.00 0.00 C ATOM 285 CD LYS A 17 -4.573 -6.182 -11.542 1.00 0.00 C ATOM 286 CE LYS A 17 -4.183 -7.564 -11.039 1.00 0.00 C ATOM 287 NZ LYS A 17 -4.675 -7.809 -9.655 1.00 0.00 N ATOM 0 H LYS A 17 -6.173 -6.982 -16.034 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.922 -7.415 -13.878 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.543 -7.688 -13.626 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.224 -6.052 -14.166 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.380 -5.181 -12.124 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.619 -6.829 -11.578 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.845 -5.843 -12.279 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.545 -5.472 -10.716 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.589 -8.322 -11.708 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.098 -7.666 -11.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.389 -8.761 -9.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.268 -7.101 -9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.712 -7.737 -9.637 1.00 0.00 H new ATOM 301 N ALA A 18 -7.342 -4.219 -14.546 1.00 0.00 N ATOM 302 CA ALA A 18 -7.882 -2.875 -14.381 1.00 0.00 C ATOM 303 C ALA A 18 -9.254 -2.750 -15.034 1.00 0.00 C ATOM 304 O ALA A 18 -10.098 -1.974 -14.586 1.00 0.00 O ATOM 305 CB ALA A 18 -6.923 -1.846 -14.963 1.00 0.00 C ATOM 0 H ALA A 18 -6.467 -4.261 -15.069 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.998 -2.686 -13.314 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.339 -0.847 -14.833 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.964 -1.910 -14.448 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.778 -2.043 -16.025 1.00 0.00 H new ATOM 311 N HIS A 19 -9.471 -3.520 -16.096 1.00 0.00 N ATOM 312 CA HIS A 19 -10.742 -3.496 -16.811 1.00 0.00 C ATOM 313 C HIS A 19 -11.878 -3.982 -15.916 1.00 0.00 C ATOM 314 O HIS A 19 -13.017 -3.535 -16.046 1.00 0.00 O ATOM 315 CB HIS A 19 -10.661 -4.362 -18.068 1.00 0.00 C ATOM 316 CG HIS A 19 -10.143 -3.630 -19.268 1.00 0.00 C ATOM 317 ND1 HIS A 19 -9.265 -2.571 -19.182 1.00 0.00 N ATOM 318 CD2 HIS A 19 -10.385 -3.810 -20.588 1.00 0.00 C ATOM 319 CE1 HIS A 19 -8.989 -2.130 -20.397 1.00 0.00 C ATOM 320 NE2 HIS A 19 -9.655 -2.866 -21.268 1.00 0.00 N ATOM 0 H HIS A 19 -8.783 -4.168 -16.480 1.00 0.00 H new ATOM 0 HA HIS A 19 -10.948 -2.466 -17.102 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -10.016 -5.218 -17.869 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -11.652 -4.755 -18.293 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -11.032 -4.557 -21.025 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.331 -1.308 -20.637 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.631 -2.752 -22.281 1.00 0.00 H new ATOM 328 N GLN A 20 -11.559 -4.900 -15.009 1.00 0.00 N ATOM 329 CA GLN A 20 -12.554 -5.447 -14.095 1.00 0.00 C ATOM 330 C GLN A 20 -13.014 -4.391 -13.095 1.00 0.00 C ATOM 331 O GLN A 20 -14.210 -4.239 -12.843 1.00 0.00 O ATOM 332 CB GLN A 20 -11.983 -6.656 -13.351 1.00 0.00 C ATOM 333 CG GLN A 20 -12.086 -7.956 -14.133 1.00 0.00 C ATOM 334 CD GLN A 20 -13.488 -8.530 -14.128 1.00 0.00 C ATOM 335 OE1 GLN A 20 -14.473 -7.795 -14.046 1.00 0.00 O ATOM 336 NE2 GLN A 20 -13.587 -9.852 -14.216 1.00 0.00 N ATOM 0 H GLN A 20 -10.620 -5.280 -14.888 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.415 -5.764 -14.683 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.936 -6.466 -13.115 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -12.508 -6.770 -12.403 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.772 -7.782 -15.162 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.397 -8.686 -13.709 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.745 -10.423 -14.282 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.505 -10.296 -14.217 1.00 0.00 H new ATOM 345 N THR A 21 -12.057 -3.663 -12.529 1.00 0.00 N ATOM 346 CA THR A 21 -12.364 -2.622 -11.556 1.00 0.00 C ATOM 347 C THR A 21 -12.935 -1.384 -12.237 1.00 0.00 C ATOM 348 O THR A 21 -13.813 -0.714 -11.693 1.00 0.00 O ATOM 349 CB THR A 21 -11.114 -2.220 -10.750 1.00 0.00 C ATOM 350 OG1 THR A 21 -10.361 -3.387 -10.399 1.00 0.00 O ATOM 351 CG2 THR A 21 -11.503 -1.464 -9.489 1.00 0.00 C ATOM 0 H THR A 21 -11.063 -3.775 -12.728 1.00 0.00 H new ATOM 0 HA THR A 21 -13.109 -3.035 -10.876 1.00 0.00 H new ATOM 0 HB THR A 21 -10.502 -1.567 -11.372 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.567 -3.123 -9.888 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.604 -1.191 -8.937 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.051 -0.561 -9.760 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.134 -2.097 -8.865 1.00 0.00 H new ATOM 359 N ALA A 22 -12.432 -1.085 -13.430 1.00 0.00 N ATOM 360 CA ALA A 22 -12.895 0.072 -14.186 1.00 0.00 C ATOM 361 C ALA A 22 -14.380 -0.043 -14.511 1.00 0.00 C ATOM 362 O ALA A 22 -15.173 0.830 -14.157 1.00 0.00 O ATOM 363 CB ALA A 22 -12.083 0.225 -15.464 1.00 0.00 C ATOM 0 H ALA A 22 -11.704 -1.628 -13.894 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.753 0.959 -13.569 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.439 1.093 -16.019 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.031 0.361 -15.213 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.197 -0.669 -16.077 1.00 0.00 H new ATOM 369 N VAL A 23 -14.751 -1.125 -15.188 1.00 0.00 N ATOM 370 CA VAL A 23 -16.142 -1.354 -15.561 1.00 0.00 C ATOM 371 C VAL A 23 -17.045 -1.368 -14.332 1.00 0.00 C ATOM 372 O VAL A 23 -18.228 -1.039 -14.415 1.00 0.00 O ATOM 373 CB VAL A 23 -16.308 -2.684 -16.321 1.00 0.00 C ATOM 374 CG1 VAL A 23 -17.769 -2.919 -16.673 1.00 0.00 C ATOM 375 CG2 VAL A 23 -15.441 -2.694 -17.571 1.00 0.00 C ATOM 0 H VAL A 23 -14.108 -1.857 -15.489 1.00 0.00 H new ATOM 0 HA VAL A 23 -16.434 -0.532 -16.214 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.981 -3.497 -15.673 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -17.867 -3.863 -17.209 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -18.362 -2.958 -15.759 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -18.127 -2.105 -17.303 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -15.570 -3.641 -18.096 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.736 -1.873 -18.225 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.395 -2.575 -17.289 1.00 0.00 H new ATOM 385 N ASP A 24 -16.479 -1.750 -13.193 1.00 0.00 N ATOM 386 CA ASP A 24 -17.232 -1.805 -11.945 1.00 0.00 C ATOM 387 C ASP A 24 -17.397 -0.410 -11.349 1.00 0.00 C ATOM 388 O ASP A 24 -18.412 -0.108 -10.721 1.00 0.00 O ATOM 389 CB ASP A 24 -16.532 -2.723 -10.942 1.00 0.00 C ATOM 390 CG ASP A 24 -17.255 -2.785 -9.611 1.00 0.00 C ATOM 391 OD1 ASP A 24 -18.287 -3.484 -9.529 1.00 0.00 O ATOM 392 OD2 ASP A 24 -16.790 -2.134 -8.653 1.00 0.00 O ATOM 0 H ASP A 24 -15.501 -2.026 -13.108 1.00 0.00 H new ATOM 0 HA ASP A 24 -18.221 -2.207 -12.163 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.461 -3.727 -11.361 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.513 -2.372 -10.782 1.00 0.00 H new ATOM 397 N LYS A 25 -16.392 0.436 -11.548 1.00 0.00 N ATOM 398 CA LYS A 25 -16.425 1.799 -11.031 1.00 0.00 C ATOM 399 C LYS A 25 -17.611 2.569 -11.602 1.00 0.00 C ATOM 400 O LYS A 25 -18.233 3.373 -10.907 1.00 0.00 O ATOM 401 CB LYS A 25 -15.121 2.525 -11.367 1.00 0.00 C ATOM 402 CG LYS A 25 -14.015 2.293 -10.352 1.00 0.00 C ATOM 403 CD LYS A 25 -12.839 3.225 -10.586 1.00 0.00 C ATOM 404 CE LYS A 25 -11.556 2.663 -9.992 1.00 0.00 C ATOM 405 NZ LYS A 25 -10.871 1.733 -10.932 1.00 0.00 N ATOM 0 H LYS A 25 -15.544 0.202 -12.064 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.536 1.748 -9.948 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.776 2.199 -12.348 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.319 3.595 -11.438 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.406 2.444 -9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.678 1.258 -10.410 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.707 3.384 -11.656 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.051 4.198 -10.143 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.884 3.483 -9.738 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.785 2.139 -9.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.038 1.319 -10.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.526 0.974 -11.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.570 2.255 -11.779 1.00 0.00 H new ATOM 419 N ILE A 26 -17.919 2.318 -12.870 1.00 0.00 N ATOM 420 CA ILE A 26 -19.031 2.987 -13.532 1.00 0.00 C ATOM 421 C ILE A 26 -20.368 2.534 -12.954 1.00 0.00 C ATOM 422 O ILE A 26 -21.367 3.247 -13.040 1.00 0.00 O ATOM 423 CB ILE A 26 -19.025 2.721 -15.049 1.00 0.00 C ATOM 424 CG1 ILE A 26 -17.660 3.073 -15.645 1.00 0.00 C ATOM 425 CG2 ILE A 26 -20.128 3.518 -15.731 1.00 0.00 C ATOM 426 CD1 ILE A 26 -17.259 4.515 -15.427 1.00 0.00 C ATOM 0 H ILE A 26 -17.414 1.656 -13.459 1.00 0.00 H new ATOM 0 HA ILE A 26 -18.905 4.056 -13.358 1.00 0.00 H new ATOM 0 HB ILE A 26 -19.212 1.661 -15.218 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.903 2.423 -15.206 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -17.676 2.867 -16.715 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -20.111 3.319 -16.803 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -21.095 3.224 -15.323 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -19.969 4.582 -15.557 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -16.282 4.693 -15.876 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -17.996 5.171 -15.890 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -17.210 4.721 -14.358 1.00 0.00 H new ATOM 438 N GLY A 27 -20.378 1.343 -12.363 1.00 0.00 N ATOM 439 CA GLY A 27 -21.596 0.816 -11.777 1.00 0.00 C ATOM 440 C GLY A 27 -22.478 0.124 -12.797 1.00 0.00 C ATOM 441 O GLY A 27 -23.705 0.163 -12.696 1.00 0.00 O ATOM 0 H GLY A 27 -19.564 0.734 -12.280 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.340 0.112 -10.986 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.153 1.629 -11.312 1.00 0.00 H new ATOM 445 N HIS A 28 -21.854 -0.509 -13.785 1.00 0.00 N ATOM 446 CA HIS A 28 -22.590 -1.211 -14.829 1.00 0.00 C ATOM 447 C HIS A 28 -23.302 -2.436 -14.263 1.00 0.00 C ATOM 448 O HIS A 28 -22.922 -2.980 -13.225 1.00 0.00 O ATOM 449 CB HIS A 28 -21.645 -1.632 -15.955 1.00 0.00 C ATOM 450 CG HIS A 28 -21.449 -0.575 -16.998 1.00 0.00 C ATOM 451 ND1 HIS A 28 -21.744 0.755 -16.787 1.00 0.00 N ATOM 452 CD2 HIS A 28 -20.981 -0.658 -18.266 1.00 0.00 C ATOM 453 CE1 HIS A 28 -21.469 1.444 -17.880 1.00 0.00 C ATOM 454 NE2 HIS A 28 -21.004 0.610 -18.792 1.00 0.00 N ATOM 0 H HIS A 28 -20.840 -0.550 -13.884 1.00 0.00 H new ATOM 0 HA HIS A 28 -23.340 -0.529 -15.230 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -20.677 -1.893 -15.527 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -22.037 -2.532 -16.430 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -20.651 -1.555 -18.770 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -21.602 2.508 -18.006 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -20.710 0.866 -19.734 1.00 0.00 H new ATOM 462 N PRO A 29 -24.359 -2.882 -14.957 1.00 0.00 N ATOM 463 CA PRO A 29 -25.145 -4.047 -14.542 1.00 0.00 C ATOM 464 C PRO A 29 -24.372 -5.352 -14.693 1.00 0.00 C ATOM 465 O PRO A 29 -23.188 -5.348 -15.031 1.00 0.00 O ATOM 466 CB PRO A 29 -26.345 -4.023 -15.492 1.00 0.00 C ATOM 467 CG PRO A 29 -25.856 -3.300 -16.700 1.00 0.00 C ATOM 468 CD PRO A 29 -24.868 -2.283 -16.203 1.00 0.00 C ATOM 0 HA PRO A 29 -25.418 -3.999 -13.488 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -26.674 -5.032 -15.740 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -27.196 -3.512 -15.042 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -25.387 -3.988 -17.403 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -26.680 -2.818 -17.227 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -24.068 -2.114 -16.924 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -25.342 -1.318 -16.021 1.00 0.00 H new ATOM 476 N SER A 30 -25.049 -6.469 -14.443 1.00 0.00 N ATOM 477 CA SER A 30 -24.424 -7.782 -14.548 1.00 0.00 C ATOM 478 C SER A 30 -25.085 -8.612 -15.644 1.00 0.00 C ATOM 479 O SER A 30 -25.009 -9.841 -15.640 1.00 0.00 O ATOM 480 CB SER A 30 -24.510 -8.520 -13.211 1.00 0.00 C ATOM 481 OG SER A 30 -23.499 -9.508 -13.108 1.00 0.00 O ATOM 0 H SER A 30 -26.031 -6.490 -14.166 1.00 0.00 H new ATOM 0 HA SER A 30 -23.375 -7.638 -14.808 1.00 0.00 H new ATOM 0 HB2 SER A 30 -24.412 -7.808 -12.392 1.00 0.00 H new ATOM 0 HB3 SER A 30 -25.490 -8.986 -13.112 1.00 0.00 H new ATOM 0 HG SER A 30 -23.545 -10.105 -13.884 1.00 0.00 H new ATOM 487 N HIS A 31 -25.736 -7.931 -16.583 1.00 0.00 N ATOM 488 CA HIS A 31 -26.411 -8.604 -17.686 1.00 0.00 C ATOM 489 C HIS A 31 -25.400 -9.167 -18.680 1.00 0.00 C ATOM 490 O HIS A 31 -24.222 -8.809 -18.653 1.00 0.00 O ATOM 491 CB HIS A 31 -27.359 -7.638 -18.397 1.00 0.00 C ATOM 492 CG HIS A 31 -28.496 -8.319 -19.095 1.00 0.00 C ATOM 493 ND1 HIS A 31 -28.517 -8.545 -20.456 1.00 0.00 N ATOM 494 CD2 HIS A 31 -29.654 -8.828 -18.613 1.00 0.00 C ATOM 495 CE1 HIS A 31 -29.640 -9.160 -20.780 1.00 0.00 C ATOM 496 NE2 HIS A 31 -30.347 -9.344 -19.680 1.00 0.00 N ATOM 0 H HIS A 31 -25.810 -6.914 -16.601 1.00 0.00 H new ATOM 0 HA HIS A 31 -26.989 -9.432 -17.275 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -27.760 -6.934 -17.668 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -26.793 -7.056 -19.125 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -29.973 -8.828 -17.581 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -29.931 -9.461 -21.776 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -31.260 -9.796 -19.631 1.00 0.00 H new ATOM 504 N LYS A 32 -25.867 -10.050 -19.556 1.00 0.00 N ATOM 505 CA LYS A 32 -25.004 -10.662 -20.560 1.00 0.00 C ATOM 506 C LYS A 32 -24.412 -9.605 -21.486 1.00 0.00 C ATOM 507 O LYS A 32 -24.984 -8.529 -21.661 1.00 0.00 O ATOM 508 CB LYS A 32 -25.789 -11.690 -21.378 1.00 0.00 C ATOM 509 CG LYS A 32 -25.959 -13.025 -20.675 1.00 0.00 C ATOM 510 CD LYS A 32 -26.532 -14.078 -21.609 1.00 0.00 C ATOM 511 CE LYS A 32 -26.112 -15.480 -21.193 1.00 0.00 C ATOM 512 NZ LYS A 32 -27.109 -16.504 -21.609 1.00 0.00 N ATOM 0 H LYS A 32 -26.839 -10.358 -19.591 1.00 0.00 H new ATOM 0 HA LYS A 32 -24.187 -11.165 -20.043 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -26.773 -11.283 -21.609 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -25.280 -11.851 -22.328 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -24.995 -13.362 -20.293 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -26.617 -12.903 -19.815 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -27.620 -14.009 -21.613 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -26.196 -13.884 -22.628 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -25.144 -15.715 -21.635 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -25.985 -15.515 -20.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -26.786 -17.445 -21.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -28.027 -16.294 -21.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -27.211 -16.488 -22.644 1.00 0.00 H new ATOM 526 N GLN A 33 -23.264 -9.919 -22.078 1.00 0.00 N ATOM 527 CA GLN A 33 -22.595 -8.996 -22.986 1.00 0.00 C ATOM 528 C GLN A 33 -23.470 -8.696 -24.199 1.00 0.00 C ATOM 529 O GLN A 33 -24.204 -9.561 -24.678 1.00 0.00 O ATOM 530 CB GLN A 33 -21.254 -9.575 -23.441 1.00 0.00 C ATOM 531 CG GLN A 33 -20.158 -9.466 -22.393 1.00 0.00 C ATOM 532 CD GLN A 33 -20.177 -10.618 -21.407 1.00 0.00 C ATOM 533 OE1 GLN A 33 -19.899 -11.762 -21.766 1.00 0.00 O ATOM 534 NE2 GLN A 33 -20.505 -10.320 -20.155 1.00 0.00 N ATOM 0 H GLN A 33 -22.778 -10.806 -21.945 1.00 0.00 H new ATOM 0 HA GLN A 33 -22.417 -8.064 -22.449 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -21.391 -10.624 -23.704 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -20.933 -9.059 -24.346 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -19.188 -9.433 -22.889 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -20.271 -8.527 -21.851 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -20.728 -9.358 -19.902 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -20.534 -11.054 -19.447 1.00 0.00 H new ATOM 543 N THR A 34 -23.387 -7.465 -24.693 1.00 0.00 N ATOM 544 CA THR A 34 -24.172 -7.050 -25.849 1.00 0.00 C ATOM 545 C THR A 34 -23.357 -7.153 -27.133 1.00 0.00 C ATOM 546 O THR A 34 -22.126 -7.178 -27.115 1.00 0.00 O ATOM 547 CB THR A 34 -24.683 -5.605 -25.693 1.00 0.00 C ATOM 548 OG1 THR A 34 -23.741 -4.832 -24.940 1.00 0.00 O ATOM 549 CG2 THR A 34 -26.036 -5.581 -24.999 1.00 0.00 C ATOM 0 H THR A 34 -22.783 -6.737 -24.310 1.00 0.00 H new ATOM 0 HA THR A 34 -25.026 -7.725 -25.909 1.00 0.00 H new ATOM 0 HB THR A 34 -24.795 -5.173 -26.687 1.00 0.00 H new ATOM 0 HG1 THR A 34 -24.072 -3.914 -24.846 1.00 0.00 H new ATOM 0 HG21 THR A 34 -26.376 -4.550 -24.900 1.00 0.00 H new ATOM 0 HG22 THR A 34 -26.758 -6.146 -25.589 1.00 0.00 H new ATOM 0 HG23 THR A 34 -25.945 -6.029 -24.010 1.00 0.00 H new ATOM 557 N PRO A 35 -24.056 -7.214 -28.276 1.00 0.00 N ATOM 558 CA PRO A 35 -23.417 -7.314 -29.591 1.00 0.00 C ATOM 559 C PRO A 35 -22.698 -6.028 -29.985 1.00 0.00 C ATOM 560 O PRO A 35 -21.655 -6.064 -30.637 1.00 0.00 O ATOM 561 CB PRO A 35 -24.590 -7.582 -30.536 1.00 0.00 C ATOM 562 CG PRO A 35 -25.775 -7.004 -29.843 1.00 0.00 C ATOM 563 CD PRO A 35 -25.525 -7.190 -28.372 1.00 0.00 C ATOM 0 HA PRO A 35 -22.649 -8.087 -29.613 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -24.431 -7.113 -31.507 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -24.718 -8.650 -30.715 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -25.894 -5.949 -30.088 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -26.691 -7.508 -30.150 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -25.953 -6.377 -27.786 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -25.967 -8.116 -28.003 1.00 0.00 H new ATOM 571 N ALA A 36 -23.262 -4.894 -29.584 1.00 0.00 N ATOM 572 CA ALA A 36 -22.673 -3.597 -29.893 1.00 0.00 C ATOM 573 C ALA A 36 -21.292 -3.457 -29.262 1.00 0.00 C ATOM 574 O ALA A 36 -20.507 -2.590 -29.649 1.00 0.00 O ATOM 575 CB ALA A 36 -23.587 -2.476 -29.422 1.00 0.00 C ATOM 0 H ALA A 36 -24.126 -4.847 -29.044 1.00 0.00 H new ATOM 0 HA ALA A 36 -22.558 -3.526 -30.975 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -23.134 -1.513 -29.659 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -24.551 -2.557 -29.924 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.732 -2.553 -28.344 1.00 0.00 H new ATOM 581 N ASP A 37 -21.001 -4.313 -28.289 1.00 0.00 N ATOM 582 CA ASP A 37 -19.714 -4.285 -27.604 1.00 0.00 C ATOM 583 C ASP A 37 -18.566 -4.433 -28.598 1.00 0.00 C ATOM 584 O ASP A 37 -17.442 -4.007 -28.332 1.00 0.00 O ATOM 585 CB ASP A 37 -19.645 -5.397 -26.557 1.00 0.00 C ATOM 586 CG ASP A 37 -18.536 -5.174 -25.547 1.00 0.00 C ATOM 587 OD1 ASP A 37 -17.384 -5.558 -25.837 1.00 0.00 O ATOM 588 OD2 ASP A 37 -18.821 -4.616 -24.467 1.00 0.00 O ATOM 0 H ASP A 37 -21.640 -5.036 -27.957 1.00 0.00 H new ATOM 0 HA ASP A 37 -19.617 -3.321 -27.105 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -20.600 -5.461 -26.035 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -19.490 -6.353 -27.057 1.00 0.00 H new ATOM 593 N HIS A 38 -18.857 -5.039 -29.745 1.00 0.00 N ATOM 594 CA HIS A 38 -17.849 -5.244 -30.779 1.00 0.00 C ATOM 595 C HIS A 38 -17.136 -3.936 -31.109 1.00 0.00 C ATOM 596 O HIS A 38 -15.962 -3.934 -31.477 1.00 0.00 O ATOM 597 CB HIS A 38 -18.492 -5.821 -32.040 1.00 0.00 C ATOM 598 CG HIS A 38 -19.278 -4.816 -32.825 1.00 0.00 C ATOM 599 ND1 HIS A 38 -20.429 -4.224 -32.351 1.00 0.00 N ATOM 600 CD2 HIS A 38 -19.070 -4.298 -34.058 1.00 0.00 C ATOM 601 CE1 HIS A 38 -20.897 -3.387 -33.259 1.00 0.00 C ATOM 602 NE2 HIS A 38 -20.091 -3.412 -34.305 1.00 0.00 N ATOM 0 H HIS A 38 -19.783 -5.397 -29.982 1.00 0.00 H new ATOM 0 HA HIS A 38 -17.113 -5.953 -30.399 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -17.712 -6.238 -32.677 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -19.149 -6.644 -31.759 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -18.254 -4.537 -34.724 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -21.788 -2.784 -33.163 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -20.207 -2.863 -35.157 1.00 0.00 H new ATOM 610 N ALA A 39 -17.855 -2.826 -30.976 1.00 0.00 N ATOM 611 CA ALA A 39 -17.291 -1.512 -31.259 1.00 0.00 C ATOM 612 C ALA A 39 -16.084 -1.230 -30.370 1.00 0.00 C ATOM 613 O ALA A 39 -15.089 -0.662 -30.820 1.00 0.00 O ATOM 614 CB ALA A 39 -18.348 -0.434 -31.075 1.00 0.00 C ATOM 0 H ALA A 39 -18.829 -2.811 -30.674 1.00 0.00 H new ATOM 0 HA ALA A 39 -16.955 -1.503 -32.296 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -17.913 0.542 -31.290 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -19.179 -0.619 -31.756 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -18.711 -0.452 -30.047 1.00 0.00 H new ATOM 620 N ALA A 40 -16.180 -1.630 -29.106 1.00 0.00 N ATOM 621 CA ALA A 40 -15.095 -1.420 -28.155 1.00 0.00 C ATOM 622 C ALA A 40 -13.817 -2.111 -28.619 1.00 0.00 C ATOM 623 O ALA A 40 -12.714 -1.707 -28.251 1.00 0.00 O ATOM 624 CB ALA A 40 -15.498 -1.923 -26.776 1.00 0.00 C ATOM 0 H ALA A 40 -16.997 -2.101 -28.717 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.898 -0.350 -28.097 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -14.679 -1.760 -26.076 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.380 -1.382 -26.435 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.724 -2.988 -26.829 1.00 0.00 H new ATOM 630 N ILE A 41 -13.974 -3.154 -29.426 1.00 0.00 N ATOM 631 CA ILE A 41 -12.832 -3.900 -29.940 1.00 0.00 C ATOM 632 C ILE A 41 -11.870 -2.985 -30.690 1.00 0.00 C ATOM 633 O ILE A 41 -10.679 -3.274 -30.796 1.00 0.00 O ATOM 634 CB ILE A 41 -13.278 -5.037 -30.879 1.00 0.00 C ATOM 635 CG1 ILE A 41 -14.255 -5.968 -30.158 1.00 0.00 C ATOM 636 CG2 ILE A 41 -12.070 -5.814 -31.381 1.00 0.00 C ATOM 637 CD1 ILE A 41 -14.816 -7.059 -31.045 1.00 0.00 C ATOM 0 H ILE A 41 -14.881 -3.502 -29.738 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.323 -4.330 -29.078 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.787 -4.601 -31.738 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -13.748 -6.426 -29.309 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -15.079 -5.377 -29.757 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.401 -6.614 -32.043 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.407 -5.143 -31.926 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -11.535 -6.243 -30.533 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -15.501 -7.681 -30.468 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.351 -6.609 -31.881 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -14.000 -7.674 -31.425 1.00 0.00 H new ATOM 649 N GLU A 42 -12.396 -1.879 -31.207 1.00 0.00 N ATOM 650 CA GLU A 42 -11.582 -0.921 -31.946 1.00 0.00 C ATOM 651 C GLU A 42 -10.352 -0.516 -31.140 1.00 0.00 C ATOM 652 O GLU A 42 -9.276 -0.296 -31.697 1.00 0.00 O ATOM 653 CB GLU A 42 -12.407 0.320 -32.296 1.00 0.00 C ATOM 654 CG GLU A 42 -12.821 1.137 -31.084 1.00 0.00 C ATOM 655 CD GLU A 42 -13.949 2.104 -31.390 1.00 0.00 C ATOM 656 OE1 GLU A 42 -14.910 1.698 -32.075 1.00 0.00 O ATOM 657 OE2 GLU A 42 -13.869 3.268 -30.943 1.00 0.00 O ATOM 0 H GLU A 42 -13.381 -1.625 -31.128 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.250 -1.400 -32.867 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.829 0.952 -32.970 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.301 0.011 -32.838 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.131 0.463 -30.285 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.960 1.694 -30.715 1.00 0.00 H new ATOM 664 N ALA A 43 -10.519 -0.418 -29.825 1.00 0.00 N ATOM 665 CA ALA A 43 -9.422 -0.041 -28.942 1.00 0.00 C ATOM 666 C ALA A 43 -8.560 -1.248 -28.591 1.00 0.00 C ATOM 667 O ALA A 43 -7.350 -1.124 -28.393 1.00 0.00 O ATOM 668 CB ALA A 43 -9.963 0.609 -27.677 1.00 0.00 C ATOM 0 H ALA A 43 -11.403 -0.594 -29.348 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.795 0.679 -29.469 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.133 0.886 -27.027 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.530 1.502 -27.941 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.613 -0.094 -27.156 1.00 0.00 H new ATOM 674 N LEU A 44 -9.188 -2.416 -28.515 1.00 0.00 N ATOM 675 CA LEU A 44 -8.478 -3.647 -28.187 1.00 0.00 C ATOM 676 C LEU A 44 -7.363 -3.917 -29.192 1.00 0.00 C ATOM 677 O LEU A 44 -6.278 -4.368 -28.825 1.00 0.00 O ATOM 678 CB LEU A 44 -9.450 -4.828 -28.158 1.00 0.00 C ATOM 679 CG LEU A 44 -10.254 -5.004 -26.869 1.00 0.00 C ATOM 680 CD1 LEU A 44 -11.419 -5.955 -27.093 1.00 0.00 C ATOM 681 CD2 LEU A 44 -9.359 -5.508 -25.747 1.00 0.00 C ATOM 0 H LEU A 44 -10.188 -2.536 -28.676 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.032 -3.527 -27.200 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.149 -4.718 -28.987 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.885 -5.742 -28.338 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.655 -4.033 -26.578 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.980 -6.068 -26.165 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.074 -5.553 -27.866 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.040 -6.927 -27.409 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.948 -5.627 -24.838 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.928 -6.469 -26.029 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.559 -4.790 -25.569 1.00 0.00 H new ATOM 693 N ASP A 45 -7.637 -3.636 -30.461 1.00 0.00 N ATOM 694 CA ASP A 45 -6.655 -3.844 -31.520 1.00 0.00 C ATOM 695 C ASP A 45 -5.368 -3.080 -31.226 1.00 0.00 C ATOM 696 O ASP A 45 -4.296 -3.673 -31.106 1.00 0.00 O ATOM 697 CB ASP A 45 -7.227 -3.405 -32.869 1.00 0.00 C ATOM 698 CG ASP A 45 -6.327 -3.780 -34.029 1.00 0.00 C ATOM 699 OD1 ASP A 45 -5.725 -4.874 -33.984 1.00 0.00 O ATOM 700 OD2 ASP A 45 -6.224 -2.981 -34.983 1.00 0.00 O ATOM 0 H ASP A 45 -8.531 -3.264 -30.782 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.423 -4.908 -31.562 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.207 -3.861 -33.011 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.376 -2.325 -32.863 1.00 0.00 H new ATOM 705 N ARG A 46 -5.483 -1.761 -31.112 1.00 0.00 N ATOM 706 CA ARG A 46 -4.328 -0.915 -30.835 1.00 0.00 C ATOM 707 C ARG A 46 -3.577 -1.407 -29.602 1.00 0.00 C ATOM 708 O ARG A 46 -2.346 -1.387 -29.562 1.00 0.00 O ATOM 709 CB ARG A 46 -4.769 0.536 -30.631 1.00 0.00 C ATOM 710 CG ARG A 46 -3.617 1.528 -30.629 1.00 0.00 C ATOM 711 CD ARG A 46 -3.064 1.743 -32.029 1.00 0.00 C ATOM 712 NE ARG A 46 -3.993 2.487 -32.875 1.00 0.00 N ATOM 713 CZ ARG A 46 -3.741 2.806 -34.140 1.00 0.00 C ATOM 714 NH1 ARG A 46 -2.594 2.447 -34.701 1.00 0.00 N ATOM 715 NH2 ARG A 46 -4.636 3.484 -34.846 1.00 0.00 N ATOM 0 H ARG A 46 -6.364 -1.255 -31.207 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.657 -0.967 -31.693 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.470 0.808 -31.420 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.306 0.614 -29.686 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.956 2.480 -30.220 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.824 1.165 -29.975 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.119 2.282 -31.967 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.850 0.777 -32.487 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.884 2.778 -32.473 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.904 1.925 -34.161 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.402 2.693 -35.672 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.519 3.761 -34.418 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.441 3.728 -35.817 1.00 0.00 H new ATOM 729 N LEU A 47 -4.325 -1.850 -28.597 1.00 0.00 N ATOM 730 CA LEU A 47 -3.730 -2.348 -27.362 1.00 0.00 C ATOM 731 C LEU A 47 -2.928 -3.620 -27.617 1.00 0.00 C ATOM 732 O LEU A 47 -1.730 -3.677 -27.338 1.00 0.00 O ATOM 733 CB LEU A 47 -4.819 -2.618 -26.321 1.00 0.00 C ATOM 734 CG LEU A 47 -4.406 -3.478 -25.126 1.00 0.00 C ATOM 735 CD1 LEU A 47 -3.149 -2.920 -24.476 1.00 0.00 C ATOM 736 CD2 LEU A 47 -5.540 -3.563 -24.114 1.00 0.00 C ATOM 0 H LEU A 47 -5.345 -1.874 -28.613 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.052 -1.584 -26.981 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.181 -1.661 -25.946 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.658 -3.103 -26.820 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.189 -4.484 -25.484 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.870 -3.545 -23.628 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.337 -2.911 -25.203 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.338 -1.903 -24.131 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.229 -4.179 -23.270 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.788 -2.562 -23.761 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.416 -4.009 -24.585 1.00 0.00 H new ATOM 748 N LEU A 48 -3.596 -4.636 -28.151 1.00 0.00 N ATOM 749 CA LEU A 48 -2.945 -5.908 -28.447 1.00 0.00 C ATOM 750 C LEU A 48 -1.685 -5.694 -29.280 1.00 0.00 C ATOM 751 O LEU A 48 -0.689 -6.399 -29.112 1.00 0.00 O ATOM 752 CB LEU A 48 -3.909 -6.836 -29.189 1.00 0.00 C ATOM 753 CG LEU A 48 -5.226 -7.144 -28.477 1.00 0.00 C ATOM 754 CD1 LEU A 48 -6.341 -7.362 -29.488 1.00 0.00 C ATOM 755 CD2 LEU A 48 -5.073 -8.363 -27.578 1.00 0.00 C ATOM 0 H LEU A 48 -4.588 -4.604 -28.388 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.660 -6.371 -27.502 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.138 -6.390 -30.157 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.396 -7.778 -29.385 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.490 -6.289 -27.855 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.271 -7.580 -28.963 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.467 -6.462 -30.090 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.085 -8.200 -30.136 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.020 -8.568 -27.079 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.786 -9.225 -28.180 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.303 -8.170 -26.831 1.00 0.00 H new ATOM 767 N LEU A 49 -1.734 -4.715 -30.176 1.00 0.00 N ATOM 768 CA LEU A 49 -0.595 -4.405 -31.034 1.00 0.00 C ATOM 769 C LEU A 49 0.491 -3.671 -30.254 1.00 0.00 C ATOM 770 O LEU A 49 1.682 -3.870 -30.491 1.00 0.00 O ATOM 771 CB LEU A 49 -1.045 -3.558 -32.225 1.00 0.00 C ATOM 772 CG LEU A 49 0.071 -2.961 -33.084 1.00 0.00 C ATOM 773 CD1 LEU A 49 0.801 -4.056 -33.846 1.00 0.00 C ATOM 774 CD2 LEU A 49 -0.491 -1.924 -34.045 1.00 0.00 C ATOM 0 H LEU A 49 -2.550 -4.122 -30.328 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.181 -5.344 -31.400 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.678 -4.173 -32.864 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.665 -2.743 -31.852 1.00 0.00 H new ATOM 0 HG LEU A 49 0.785 -2.466 -32.425 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.591 -3.613 -34.452 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.238 -4.762 -33.139 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.098 -4.579 -34.494 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.318 -1.510 -34.648 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.226 -2.394 -34.698 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.967 -1.124 -33.479 1.00 0.00 H new ATOM 786 N ASP A 50 0.071 -2.823 -29.321 1.00 0.00 N ATOM 787 CA ASP A 50 1.008 -2.061 -28.504 1.00 0.00 C ATOM 788 C ASP A 50 1.721 -2.968 -27.506 1.00 0.00 C ATOM 789 O ASP A 50 2.879 -2.737 -27.158 1.00 0.00 O ATOM 790 CB ASP A 50 0.276 -0.942 -27.761 1.00 0.00 C ATOM 791 CG ASP A 50 -0.047 0.235 -28.660 1.00 0.00 C ATOM 792 OD1 ASP A 50 0.681 0.440 -29.653 1.00 0.00 O ATOM 793 OD2 ASP A 50 -1.029 0.951 -28.371 1.00 0.00 O ATOM 0 H ASP A 50 -0.912 -2.646 -29.112 1.00 0.00 H new ATOM 0 HA ASP A 50 1.754 -1.621 -29.166 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.648 -1.335 -27.336 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.890 -0.601 -26.927 1.00 0.00 H new ATOM 798 N VAL A 51 1.022 -4.002 -27.049 1.00 0.00 N ATOM 799 CA VAL A 51 1.588 -4.945 -26.092 1.00 0.00 C ATOM 800 C VAL A 51 2.418 -6.012 -26.796 1.00 0.00 C ATOM 801 O VAL A 51 3.434 -6.469 -26.272 1.00 0.00 O ATOM 802 CB VAL A 51 0.487 -5.632 -25.262 1.00 0.00 C ATOM 803 CG1 VAL A 51 -0.286 -4.606 -24.447 1.00 0.00 C ATOM 804 CG2 VAL A 51 -0.448 -6.420 -26.167 1.00 0.00 C ATOM 0 H VAL A 51 0.062 -4.208 -27.326 1.00 0.00 H new ATOM 0 HA VAL A 51 2.231 -4.370 -25.425 1.00 0.00 H new ATOM 0 HB VAL A 51 0.959 -6.329 -24.570 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.059 -5.110 -23.867 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.396 -4.090 -23.771 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.749 -3.882 -25.118 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.220 -6.899 -25.564 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.915 -5.745 -26.884 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.119 -7.182 -26.702 1.00 0.00 H new ATOM 814 N ARG A 52 1.979 -6.404 -27.988 1.00 0.00 N ATOM 815 CA ARG A 52 2.682 -7.418 -28.765 1.00 0.00 C ATOM 816 C ARG A 52 3.911 -6.825 -29.448 1.00 0.00 C ATOM 817 O ARG A 52 4.888 -7.527 -29.706 1.00 0.00 O ATOM 818 CB ARG A 52 1.747 -8.027 -29.812 1.00 0.00 C ATOM 819 CG ARG A 52 1.586 -7.169 -31.056 1.00 0.00 C ATOM 820 CD ARG A 52 2.581 -7.563 -32.137 1.00 0.00 C ATOM 821 NE ARG A 52 2.095 -7.235 -33.474 1.00 0.00 N ATOM 822 CZ ARG A 52 2.711 -7.606 -34.592 1.00 0.00 C ATOM 823 NH1 ARG A 52 3.830 -8.314 -34.532 1.00 0.00 N ATOM 824 NH2 ARG A 52 2.206 -7.268 -35.772 1.00 0.00 N ATOM 0 H ARG A 52 1.140 -6.035 -28.436 1.00 0.00 H new ATOM 0 HA ARG A 52 3.010 -8.201 -28.081 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.129 -9.006 -30.103 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.767 -8.188 -29.362 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.571 -7.270 -31.440 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.726 -6.120 -30.796 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.528 -7.054 -31.961 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.778 -8.633 -32.075 1.00 0.00 H new ATOM 0 HE ARG A 52 1.236 -6.691 -33.555 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.220 -8.575 -33.627 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.301 -8.598 -35.391 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.345 -6.723 -35.821 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.679 -7.553 -36.630 1.00 0.00 H new ATOM 838 N ALA A 53 3.853 -5.530 -29.737 1.00 0.00 N ATOM 839 CA ALA A 53 4.961 -4.842 -30.389 1.00 0.00 C ATOM 840 C ALA A 53 5.912 -4.238 -29.361 1.00 0.00 C ATOM 841 O ALA A 53 6.756 -3.407 -29.696 1.00 0.00 O ATOM 842 CB ALA A 53 4.436 -3.763 -31.324 1.00 0.00 C ATOM 0 H ALA A 53 3.051 -4.935 -29.530 1.00 0.00 H new ATOM 0 HA ALA A 53 5.517 -5.574 -30.974 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.274 -3.258 -31.804 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.803 -4.218 -32.086 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.854 -3.039 -30.754 1.00 0.00 H new ATOM 848 N ARG A 54 5.769 -4.660 -28.109 1.00 0.00 N ATOM 849 CA ARG A 54 6.615 -4.159 -27.033 1.00 0.00 C ATOM 850 C ARG A 54 6.624 -2.633 -27.015 1.00 0.00 C ATOM 851 O ARG A 54 7.612 -2.013 -26.620 1.00 0.00 O ATOM 852 CB ARG A 54 8.042 -4.686 -27.188 1.00 0.00 C ATOM 853 CG ARG A 54 8.204 -6.138 -26.767 1.00 0.00 C ATOM 854 CD ARG A 54 7.958 -7.086 -27.929 1.00 0.00 C ATOM 855 NE ARG A 54 9.088 -7.125 -28.854 1.00 0.00 N ATOM 856 CZ ARG A 54 8.994 -7.541 -30.112 1.00 0.00 C ATOM 857 NH1 ARG A 54 7.829 -7.952 -30.593 1.00 0.00 N ATOM 858 NH2 ARG A 54 10.068 -7.546 -30.892 1.00 0.00 N ATOM 0 H ARG A 54 5.075 -5.348 -27.815 1.00 0.00 H new ATOM 0 HA ARG A 54 6.205 -4.515 -26.088 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.348 -4.582 -28.229 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.715 -4.067 -26.595 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.209 -6.294 -26.375 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.508 -6.363 -25.959 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.769 -8.089 -27.545 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.061 -6.776 -28.466 1.00 0.00 H new ATOM 0 HE ARG A 54 9.999 -6.816 -28.515 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.002 -7.949 -29.997 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.760 -8.271 -31.559 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.966 -7.230 -30.525 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.995 -7.866 -31.858 1.00 0.00 H new ATOM 872 N ARG A 55 5.518 -2.034 -27.445 1.00 0.00 N ATOM 873 CA ARG A 55 5.400 -0.582 -27.480 1.00 0.00 C ATOM 874 C ARG A 55 4.657 -0.067 -26.251 1.00 0.00 C ATOM 875 O ARG A 55 4.041 0.999 -26.286 1.00 0.00 O ATOM 876 CB ARG A 55 4.674 -0.138 -28.751 1.00 0.00 C ATOM 877 CG ARG A 55 5.559 -0.134 -29.987 1.00 0.00 C ATOM 878 CD ARG A 55 5.106 0.914 -30.993 1.00 0.00 C ATOM 879 NE ARG A 55 4.099 0.390 -31.912 1.00 0.00 N ATOM 880 CZ ARG A 55 4.385 -0.390 -32.948 1.00 0.00 C ATOM 881 NH1 ARG A 55 5.640 -0.737 -33.195 1.00 0.00 N ATOM 882 NH2 ARG A 55 3.413 -0.827 -33.740 1.00 0.00 N ATOM 0 H ARG A 55 4.691 -2.532 -27.774 1.00 0.00 H new ATOM 0 HA ARG A 55 6.405 -0.161 -27.478 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.825 -0.799 -28.924 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.272 0.864 -28.599 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.591 0.061 -29.696 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.540 -1.119 -30.453 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.699 1.775 -30.462 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.967 1.267 -31.561 1.00 0.00 H new ATOM 0 HE ARG A 55 3.123 0.637 -31.749 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.390 -0.405 -32.588 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.856 -1.336 -33.992 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.446 -0.564 -33.553 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.634 -1.426 -34.535 1.00 0.00 H new ATOM 896 N VAL A 56 4.718 -0.831 -25.165 1.00 0.00 N ATOM 897 CA VAL A 56 4.051 -0.453 -23.925 1.00 0.00 C ATOM 898 C VAL A 56 5.065 -0.105 -22.840 1.00 0.00 C ATOM 899 O VAL A 56 6.182 -0.622 -22.831 1.00 0.00 O ATOM 900 CB VAL A 56 3.135 -1.580 -23.413 1.00 0.00 C ATOM 901 CG1 VAL A 56 3.959 -2.783 -22.980 1.00 0.00 C ATOM 902 CG2 VAL A 56 2.264 -1.081 -22.271 1.00 0.00 C ATOM 0 H VAL A 56 5.223 -1.716 -25.119 1.00 0.00 H new ATOM 0 HA VAL A 56 3.444 0.425 -24.147 1.00 0.00 H new ATOM 0 HB VAL A 56 2.482 -1.892 -24.228 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.295 -3.569 -22.621 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.535 -3.154 -23.828 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.639 -2.490 -22.180 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.623 -1.891 -21.922 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.898 -0.741 -21.452 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.646 -0.254 -22.620 1.00 0.00 H new ATOM 912 N ASP A 57 4.667 0.775 -21.927 1.00 0.00 N ATOM 913 CA ASP A 57 5.540 1.191 -20.836 1.00 0.00 C ATOM 914 C ASP A 57 4.807 1.128 -19.499 1.00 0.00 C ATOM 915 O ASP A 57 3.633 0.762 -19.442 1.00 0.00 O ATOM 916 CB ASP A 57 6.058 2.609 -21.081 1.00 0.00 C ATOM 917 CG ASP A 57 4.954 3.567 -21.485 1.00 0.00 C ATOM 918 OD1 ASP A 57 4.154 3.954 -20.608 1.00 0.00 O ATOM 919 OD2 ASP A 57 4.891 3.929 -22.678 1.00 0.00 O ATOM 0 H ASP A 57 3.746 1.213 -21.921 1.00 0.00 H new ATOM 0 HA ASP A 57 6.386 0.505 -20.799 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.542 2.977 -20.176 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.818 2.585 -21.862 1.00 0.00 H new ATOM 924 N GLN A 58 5.507 1.488 -18.428 1.00 0.00 N ATOM 925 CA GLN A 58 4.923 1.470 -17.093 1.00 0.00 C ATOM 926 C GLN A 58 4.375 2.844 -16.720 1.00 0.00 C ATOM 927 O GLN A 58 4.935 3.871 -17.103 1.00 0.00 O ATOM 928 CB GLN A 58 5.963 1.026 -16.063 1.00 0.00 C ATOM 929 CG GLN A 58 7.175 1.942 -15.989 1.00 0.00 C ATOM 930 CD GLN A 58 8.279 1.527 -16.941 1.00 0.00 C ATOM 931 OE1 GLN A 58 8.709 0.373 -16.947 1.00 0.00 O ATOM 932 NE2 GLN A 58 8.745 2.468 -17.754 1.00 0.00 N ATOM 0 H GLN A 58 6.479 1.796 -18.459 1.00 0.00 H new ATOM 0 HA GLN A 58 4.098 0.758 -17.095 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.493 0.979 -15.081 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.295 0.017 -16.306 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.869 2.963 -16.217 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.561 1.945 -14.970 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.360 3.412 -17.716 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.488 2.247 -18.417 1.00 0.00 H new ATOM 941 N PHE A 59 3.278 2.855 -15.971 1.00 0.00 N ATOM 942 CA PHE A 59 2.653 4.103 -15.547 1.00 0.00 C ATOM 943 C PHE A 59 1.544 3.839 -14.533 1.00 0.00 C ATOM 944 O PHE A 59 1.052 2.717 -14.415 1.00 0.00 O ATOM 945 CB PHE A 59 2.088 4.851 -16.756 1.00 0.00 C ATOM 946 CG PHE A 59 1.903 6.322 -16.518 1.00 0.00 C ATOM 947 CD1 PHE A 59 2.975 7.194 -16.625 1.00 0.00 C ATOM 948 CD2 PHE A 59 0.659 6.834 -16.188 1.00 0.00 C ATOM 949 CE1 PHE A 59 2.808 8.548 -16.406 1.00 0.00 C ATOM 950 CE2 PHE A 59 0.486 8.187 -15.968 1.00 0.00 C ATOM 951 CZ PHE A 59 1.562 9.046 -16.078 1.00 0.00 C ATOM 0 H PHE A 59 2.803 2.014 -15.645 1.00 0.00 H new ATOM 0 HA PHE A 59 3.416 4.719 -15.071 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.756 4.710 -17.605 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.128 4.412 -17.029 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.951 6.811 -16.882 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.186 6.167 -16.102 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.652 9.217 -16.491 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.489 8.572 -15.710 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.430 10.104 -15.908 1.00 0.00 H new ATOM 961 N GLN A 60 1.156 4.881 -13.805 1.00 0.00 N ATOM 962 CA GLN A 60 0.106 4.762 -12.800 1.00 0.00 C ATOM 963 C GLN A 60 -0.679 6.064 -12.677 1.00 0.00 C ATOM 964 O GLN A 60 -0.140 7.086 -12.252 1.00 0.00 O ATOM 965 CB GLN A 60 0.708 4.385 -11.446 1.00 0.00 C ATOM 966 CG GLN A 60 1.945 5.190 -11.084 1.00 0.00 C ATOM 967 CD GLN A 60 2.058 5.450 -9.595 1.00 0.00 C ATOM 968 OE1 GLN A 60 2.051 6.598 -9.151 1.00 0.00 O ATOM 969 NE2 GLN A 60 2.162 4.381 -8.813 1.00 0.00 N ATOM 0 H GLN A 60 1.553 5.817 -13.892 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.579 3.975 -13.117 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.046 4.525 -10.671 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.964 3.325 -11.454 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.833 4.657 -11.424 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.922 6.142 -11.614 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.164 3.447 -9.223 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.240 4.494 -7.802 1.00 0.00 H new ATOM 978 N ILE A 61 -1.953 6.018 -13.051 1.00 0.00 N ATOM 979 CA ILE A 61 -2.812 7.194 -12.980 1.00 0.00 C ATOM 980 C ILE A 61 -3.389 7.370 -11.580 1.00 0.00 C ATOM 981 O ILE A 61 -3.710 8.483 -11.166 1.00 0.00 O ATOM 982 CB ILE A 61 -3.968 7.107 -13.993 1.00 0.00 C ATOM 983 CG1 ILE A 61 -4.903 5.950 -13.636 1.00 0.00 C ATOM 984 CG2 ILE A 61 -3.425 6.940 -15.405 1.00 0.00 C ATOM 985 CD1 ILE A 61 -6.085 5.816 -14.571 1.00 0.00 C ATOM 0 H ILE A 61 -2.413 5.180 -13.406 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.190 8.055 -13.224 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.537 8.035 -13.951 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.336 5.019 -13.645 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.269 6.090 -12.619 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.255 6.880 -16.109 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.797 7.794 -15.657 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.834 6.026 -15.462 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.704 4.976 -14.257 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.676 6.732 -14.544 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.728 5.644 -15.586 1.00 0.00 H new ATOM 997 N ASN A 62 -3.517 6.263 -10.855 1.00 0.00 N ATOM 998 CA ASN A 62 -4.055 6.295 -9.500 1.00 0.00 C ATOM 999 C ASN A 62 -3.020 5.805 -8.492 1.00 0.00 C ATOM 1000 O ASN A 62 -2.115 5.045 -8.836 1.00 0.00 O ATOM 1001 CB ASN A 62 -5.318 5.437 -9.410 1.00 0.00 C ATOM 1002 CG ASN A 62 -6.563 6.195 -9.825 1.00 0.00 C ATOM 1003 OD1 ASN A 62 -6.614 7.422 -9.739 1.00 0.00 O ATOM 1004 ND2 ASN A 62 -7.576 5.466 -10.279 1.00 0.00 N ATOM 0 H ASN A 62 -3.256 5.333 -11.183 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.308 7.328 -9.261 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.203 4.558 -10.044 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.438 5.079 -8.388 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -8.440 5.921 -10.574 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.490 4.451 -10.333 1.00 0.00 H new ATOM 1011 N ALA A 63 -3.161 6.244 -7.246 1.00 0.00 N ATOM 1012 CA ALA A 63 -2.240 5.848 -6.187 1.00 0.00 C ATOM 1013 C ALA A 63 -2.894 4.853 -5.235 1.00 0.00 C ATOM 1014 O ALA A 63 -2.239 3.945 -4.724 1.00 0.00 O ATOM 1015 CB ALA A 63 -1.755 7.072 -5.424 1.00 0.00 C ATOM 0 H ALA A 63 -3.904 6.874 -6.945 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.382 5.359 -6.649 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.068 6.761 -4.637 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.241 7.747 -6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.608 7.585 -4.980 1.00 0.00 H new ATOM 1021 N SER A 64 -4.190 5.031 -4.998 1.00 0.00 N ATOM 1022 CA SER A 64 -4.932 4.151 -4.103 1.00 0.00 C ATOM 1023 C SER A 64 -5.198 2.802 -4.764 1.00 0.00 C ATOM 1024 O SER A 64 -5.103 1.756 -4.123 1.00 0.00 O ATOM 1025 CB SER A 64 -6.255 4.802 -3.695 1.00 0.00 C ATOM 1026 OG SER A 64 -6.072 6.169 -3.369 1.00 0.00 O ATOM 0 H SER A 64 -4.748 5.777 -5.414 1.00 0.00 H new ATOM 0 HA SER A 64 -4.327 3.986 -3.212 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.974 4.712 -4.509 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.675 4.274 -2.839 1.00 0.00 H new ATOM 0 HG SER A 64 -6.932 6.562 -3.113 1.00 0.00 H new ATOM 1032 N ALA A 65 -5.531 2.836 -6.050 1.00 0.00 N ATOM 1033 CA ALA A 65 -5.809 1.617 -6.799 1.00 0.00 C ATOM 1034 C ALA A 65 -4.590 0.702 -6.831 1.00 0.00 C ATOM 1035 O ALA A 65 -3.582 0.972 -6.178 1.00 0.00 O ATOM 1036 CB ALA A 65 -6.254 1.957 -8.214 1.00 0.00 C ATOM 0 H ALA A 65 -5.615 3.694 -6.595 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.616 1.086 -6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.458 1.037 -8.762 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.158 2.565 -8.175 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.465 2.513 -8.720 1.00 0.00 H new ATOM 1042 N ALA A 66 -4.688 -0.381 -7.595 1.00 0.00 N ATOM 1043 CA ALA A 66 -3.593 -1.335 -7.713 1.00 0.00 C ATOM 1044 C ALA A 66 -2.479 -0.784 -8.597 1.00 0.00 C ATOM 1045 O ALA A 66 -2.740 -0.211 -9.654 1.00 0.00 O ATOM 1046 CB ALA A 66 -4.102 -2.658 -8.265 1.00 0.00 C ATOM 0 H ALA A 66 -5.515 -0.619 -8.142 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.182 -1.504 -6.718 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.273 -3.361 -8.348 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.858 -3.066 -7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.541 -2.497 -9.250 1.00 0.00 H new ATOM 1052 N GLN A 67 -1.237 -0.962 -8.157 1.00 0.00 N ATOM 1053 CA GLN A 67 -0.084 -0.482 -8.909 1.00 0.00 C ATOM 1054 C GLN A 67 0.575 -1.620 -9.680 1.00 0.00 C ATOM 1055 O GLN A 67 1.349 -2.397 -9.119 1.00 0.00 O ATOM 1056 CB GLN A 67 0.931 0.167 -7.967 1.00 0.00 C ATOM 1057 CG GLN A 67 0.325 1.216 -7.048 1.00 0.00 C ATOM 1058 CD GLN A 67 -0.635 2.140 -7.771 1.00 0.00 C ATOM 1059 OE1 GLN A 67 -1.726 2.429 -7.278 1.00 0.00 O ATOM 1060 NE2 GLN A 67 -0.233 2.610 -8.946 1.00 0.00 N ATOM 0 H GLN A 67 -1.004 -1.435 -7.284 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.433 0.263 -9.625 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.399 -0.609 -7.361 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.721 0.628 -8.560 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.200 0.719 -6.232 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.124 1.807 -6.600 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.679 2.344 -9.317 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.837 3.237 -9.478 1.00 0.00 H new ATOM 1069 N ILE A 68 0.264 -1.713 -10.969 1.00 0.00 N ATOM 1070 CA ILE A 68 0.827 -2.756 -11.817 1.00 0.00 C ATOM 1071 C ILE A 68 1.881 -2.187 -12.761 1.00 0.00 C ATOM 1072 O ILE A 68 1.554 -1.640 -13.815 1.00 0.00 O ATOM 1073 CB ILE A 68 -0.264 -3.457 -12.647 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -1.387 -3.957 -11.735 1.00 0.00 C ATOM 1075 CG2 ILE A 68 0.333 -4.610 -13.441 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -2.477 -2.935 -11.504 1.00 0.00 C ATOM 0 H ILE A 68 -0.375 -1.079 -11.448 1.00 0.00 H new ATOM 0 HA ILE A 68 1.292 -3.485 -11.154 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.684 -2.737 -13.349 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.827 -4.853 -12.172 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.962 -4.247 -10.774 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.451 -5.096 -14.023 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.101 -4.229 -14.114 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.777 -5.332 -12.756 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.239 -3.357 -10.849 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.050 -2.047 -11.038 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.929 -2.663 -12.458 1.00 0.00 H new ATOM 1088 N ILE A 69 3.146 -2.322 -12.378 1.00 0.00 N ATOM 1089 CA ILE A 69 4.248 -1.824 -13.192 1.00 0.00 C ATOM 1090 C ILE A 69 4.576 -2.792 -14.324 1.00 0.00 C ATOM 1091 O ILE A 69 4.513 -4.009 -14.152 1.00 0.00 O ATOM 1092 CB ILE A 69 5.514 -1.593 -12.345 1.00 0.00 C ATOM 1093 CG1 ILE A 69 5.221 -0.613 -11.208 1.00 0.00 C ATOM 1094 CG2 ILE A 69 6.648 -1.077 -13.218 1.00 0.00 C ATOM 1095 CD1 ILE A 69 4.712 -1.281 -9.950 1.00 0.00 C ATOM 0 H ILE A 69 3.433 -2.772 -11.509 1.00 0.00 H new ATOM 0 HA ILE A 69 3.925 -0.872 -13.613 1.00 0.00 H new ATOM 0 HB ILE A 69 5.821 -2.544 -11.909 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.130 -0.059 -10.973 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.483 0.114 -11.547 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.536 -0.919 -12.605 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.870 -1.808 -13.996 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.352 -0.135 -13.679 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.526 -0.525 -9.187 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.785 -1.812 -10.169 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.458 -1.988 -9.586 1.00 0.00 H new ATOM 1107 N VAL A 70 4.929 -2.242 -15.481 1.00 0.00 N ATOM 1108 CA VAL A 70 5.271 -3.056 -16.642 1.00 0.00 C ATOM 1109 C VAL A 70 6.774 -3.296 -16.721 1.00 0.00 C ATOM 1110 O VAL A 70 7.570 -2.363 -16.611 1.00 0.00 O ATOM 1111 CB VAL A 70 4.798 -2.395 -17.950 1.00 0.00 C ATOM 1112 CG1 VAL A 70 5.156 -3.262 -19.147 1.00 0.00 C ATOM 1113 CG2 VAL A 70 3.301 -2.130 -17.902 1.00 0.00 C ATOM 0 H VAL A 70 4.986 -1.236 -15.640 1.00 0.00 H new ATOM 0 HA VAL A 70 4.759 -4.011 -16.521 1.00 0.00 H new ATOM 0 HB VAL A 70 5.310 -1.439 -18.059 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.814 -2.778 -20.062 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.237 -3.395 -19.189 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.674 -4.235 -19.049 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.984 -1.663 -18.834 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.769 -3.072 -17.769 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.076 -1.465 -17.068 1.00 0.00 H new ATOM 1123 N THR A 71 7.157 -4.555 -16.912 1.00 0.00 N ATOM 1124 CA THR A 71 8.565 -4.919 -17.005 1.00 0.00 C ATOM 1125 C THR A 71 8.930 -5.349 -18.422 1.00 0.00 C ATOM 1126 O THR A 71 8.914 -6.537 -18.743 1.00 0.00 O ATOM 1127 CB THR A 71 8.917 -6.058 -16.029 1.00 0.00 C ATOM 1128 OG1 THR A 71 8.112 -7.209 -16.309 1.00 0.00 O ATOM 1129 CG2 THR A 71 8.702 -5.620 -14.588 1.00 0.00 C ATOM 0 H THR A 71 6.511 -5.339 -17.005 1.00 0.00 H new ATOM 0 HA THR A 71 9.139 -4.031 -16.738 1.00 0.00 H new ATOM 0 HB THR A 71 9.969 -6.310 -16.162 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.310 -6.935 -16.801 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.957 -6.440 -13.917 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.337 -4.762 -14.370 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.657 -5.344 -14.444 1.00 0.00 H new ATOM 1137 N ASP A 72 9.258 -4.376 -19.264 1.00 0.00 N ATOM 1138 CA ASP A 72 9.628 -4.654 -20.647 1.00 0.00 C ATOM 1139 C ASP A 72 11.052 -4.187 -20.933 1.00 0.00 C ATOM 1140 O ASP A 72 11.653 -3.470 -20.132 1.00 0.00 O ATOM 1141 CB ASP A 72 8.652 -3.971 -21.606 1.00 0.00 C ATOM 1142 CG ASP A 72 9.174 -3.927 -23.029 1.00 0.00 C ATOM 1143 OD1 ASP A 72 9.629 -4.978 -23.526 1.00 0.00 O ATOM 1144 OD2 ASP A 72 9.128 -2.841 -23.645 1.00 0.00 O ATOM 0 H ASP A 72 9.275 -3.387 -19.013 1.00 0.00 H new ATOM 0 HA ASP A 72 9.581 -5.732 -20.800 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.699 -4.500 -21.588 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.459 -2.955 -21.261 1.00 0.00 H new