USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 738 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 NoAdj-H: A 14 ARGHH11 : A 14 ARG NH1 : A 82 ILE C :(H bumps) USER MOD Set 1.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 71 THR OG1 : rot -117:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= -0.993! (180deg=-1.84!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= -0.533 F(o=-4.4!,f=-0.53) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= -0.779! USER MOD Single : A 11 THR OG1 : rot -96:sc= 0.39 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.61 USER MOD Single : A 29 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.45) USER MOD Single : A 35 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.35) USER MOD Single : A 36 GLN : amide:sc= -0.0112 K(o=-0.011,f=-1.5!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.547 F(o=-1.4,f=-0.55) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 156:sc= -0.0391 (180deg=-0.349) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN :FLIP amide:sc=-0.00122 F(o=-1.2!,f=-0.0012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.410 -14.486 -18.221 1.00 0.00 N ATOM 2 CA MET A 1 -14.769 -14.356 -16.882 1.00 0.00 C ATOM 3 C MET A 1 -14.885 -15.682 -16.135 1.00 0.00 C ATOM 4 O MET A 1 -14.416 -15.810 -15.004 1.00 0.00 O ATOM 5 CB MET A 1 -15.468 -13.244 -16.092 1.00 0.00 C ATOM 6 CG MET A 1 -16.985 -13.343 -16.289 1.00 0.00 C ATOM 7 SD MET A 1 -17.434 -12.625 -17.888 1.00 0.00 S ATOM 8 CE MET A 1 -19.173 -13.129 -17.883 1.00 0.00 C ATOM 0 H1 MET A 1 -15.730 -13.551 -18.545 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.722 -14.870 -18.899 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.226 -15.127 -18.154 1.00 0.00 H new ATOM 0 HA MET A 1 -13.715 -14.104 -16.998 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.223 -13.328 -15.033 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.111 -12.269 -16.425 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.301 -14.385 -16.245 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.502 -12.819 -15.485 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.655 -12.783 -18.798 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.237 -14.216 -17.828 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.676 -12.692 -17.020 1.00 0.00 H new ATOM 18 N VAL A 2 -15.511 -16.664 -16.775 1.00 0.00 N ATOM 19 CA VAL A 2 -15.682 -17.976 -16.161 1.00 0.00 C ATOM 20 C VAL A 2 -14.336 -18.674 -15.994 1.00 0.00 C ATOM 21 O VAL A 2 -13.839 -18.821 -14.877 1.00 0.00 O ATOM 22 CB VAL A 2 -16.608 -18.838 -17.019 1.00 0.00 C ATOM 23 CG1 VAL A 2 -16.778 -20.212 -16.366 1.00 0.00 C ATOM 24 CG2 VAL A 2 -17.974 -18.158 -17.133 1.00 0.00 C ATOM 0 H VAL A 2 -15.906 -16.578 -17.712 1.00 0.00 H new ATOM 0 HA VAL A 2 -16.127 -17.838 -15.175 1.00 0.00 H new ATOM 0 HB VAL A 2 -16.175 -18.958 -18.012 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -17.438 -20.826 -16.978 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -15.806 -20.697 -16.281 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -17.211 -20.092 -15.373 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -18.636 -18.771 -17.745 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -18.405 -18.039 -16.139 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -17.855 -17.179 -17.597 1.00 0.00 H new ATOM 34 N THR A 3 -13.746 -19.110 -17.107 1.00 0.00 N ATOM 35 CA THR A 3 -12.456 -19.794 -17.053 1.00 0.00 C ATOM 36 C THR A 3 -11.300 -18.796 -16.934 1.00 0.00 C ATOM 37 O THR A 3 -10.319 -19.071 -16.243 1.00 0.00 O ATOM 38 CB THR A 3 -12.258 -20.675 -18.298 1.00 0.00 C ATOM 39 OG1 THR A 3 -13.488 -21.302 -18.632 1.00 0.00 O ATOM 40 CG2 THR A 3 -11.201 -21.746 -18.012 1.00 0.00 C ATOM 0 H THR A 3 -14.135 -19.004 -18.044 1.00 0.00 H new ATOM 0 HA THR A 3 -12.457 -20.426 -16.165 1.00 0.00 H new ATOM 0 HB THR A 3 -11.925 -20.054 -19.130 1.00 0.00 H new ATOM 0 HG1 THR A 3 -13.364 -21.863 -19.426 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.064 -22.368 -18.897 1.00 0.00 H new ATOM 0 HG22 THR A 3 -10.256 -21.266 -17.756 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.529 -22.368 -17.179 1.00 0.00 H new ATOM 48 N PRO A 4 -11.381 -17.652 -17.578 1.00 0.00 N ATOM 49 CA PRO A 4 -10.307 -16.630 -17.518 1.00 0.00 C ATOM 50 C PRO A 4 -10.534 -15.633 -16.384 1.00 0.00 C ATOM 51 O PRO A 4 -11.252 -14.647 -16.547 1.00 0.00 O ATOM 52 CB PRO A 4 -10.422 -15.953 -18.881 1.00 0.00 C ATOM 53 CG PRO A 4 -11.892 -15.981 -19.193 1.00 0.00 C ATOM 54 CD PRO A 4 -12.488 -17.190 -18.438 1.00 0.00 C ATOM 0 HA PRO A 4 -9.322 -17.054 -17.320 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.042 -14.932 -18.850 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -9.845 -16.485 -19.638 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.371 -15.054 -18.878 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.057 -16.076 -20.266 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -13.359 -16.903 -17.849 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -12.812 -17.971 -19.126 1.00 0.00 H new ATOM 62 N VAL A 5 -9.917 -15.898 -15.237 1.00 0.00 N ATOM 63 CA VAL A 5 -10.059 -15.018 -14.082 1.00 0.00 C ATOM 64 C VAL A 5 -9.100 -13.837 -14.190 1.00 0.00 C ATOM 65 O VAL A 5 -7.985 -13.973 -14.694 1.00 0.00 O ATOM 66 CB VAL A 5 -9.777 -15.795 -12.795 1.00 0.00 C ATOM 67 CG1 VAL A 5 -8.332 -16.295 -12.802 1.00 0.00 C ATOM 68 CG2 VAL A 5 -9.994 -14.878 -11.589 1.00 0.00 C ATOM 0 H VAL A 5 -9.318 -16.709 -15.082 1.00 0.00 H new ATOM 0 HA VAL A 5 -11.081 -14.640 -14.058 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.453 -16.647 -12.732 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.134 -16.848 -11.884 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.177 -16.949 -13.660 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.653 -15.445 -12.867 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.793 -15.430 -10.671 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.318 -14.025 -11.654 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.025 -14.524 -11.582 1.00 0.00 H new ATOM 78 N ASN A 6 -9.545 -12.675 -13.713 1.00 0.00 N ATOM 79 CA ASN A 6 -8.723 -11.467 -13.758 1.00 0.00 C ATOM 80 C ASN A 6 -9.030 -10.571 -12.562 1.00 0.00 C ATOM 81 O ASN A 6 -9.970 -10.827 -11.810 1.00 0.00 O ATOM 82 CB ASN A 6 -8.991 -10.699 -15.056 1.00 0.00 C ATOM 83 CG ASN A 6 -10.493 -10.596 -15.305 1.00 0.00 C ATOM 84 OD1 ASN A 6 -11.330 -10.898 -14.350 1.00 0.00 O flip ATOM 85 ND2 ASN A 6 -10.917 -10.229 -16.401 1.00 0.00 N flip ATOM 0 H ASN A 6 -10.465 -12.545 -13.293 1.00 0.00 H new ATOM 0 HA ASN A 6 -7.674 -11.760 -13.722 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -8.556 -9.702 -14.994 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -8.510 -11.205 -15.893 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -10.263 -9.993 -17.148 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -11.922 -10.161 -16.562 1.00 0.00 H new ATOM 92 N MET A 7 -8.222 -9.520 -12.401 1.00 0.00 N ATOM 93 CA MET A 7 -8.386 -8.566 -11.301 1.00 0.00 C ATOM 94 C MET A 7 -8.938 -9.242 -10.046 1.00 0.00 C ATOM 95 O MET A 7 -10.151 -9.342 -9.863 1.00 0.00 O ATOM 96 CB MET A 7 -9.309 -7.417 -11.731 1.00 0.00 C ATOM 97 CG MET A 7 -10.489 -7.964 -12.539 1.00 0.00 C ATOM 98 SD MET A 7 -11.633 -6.615 -12.918 1.00 0.00 S ATOM 99 CE MET A 7 -13.040 -7.641 -13.410 1.00 0.00 C ATOM 0 H MET A 7 -7.442 -9.307 -13.023 1.00 0.00 H new ATOM 0 HA MET A 7 -7.401 -8.167 -11.058 1.00 0.00 H new ATOM 0 HB2 MET A 7 -9.675 -6.886 -10.852 1.00 0.00 H new ATOM 0 HB3 MET A 7 -8.751 -6.697 -12.329 1.00 0.00 H new ATOM 0 HG2 MET A 7 -10.131 -8.422 -13.461 1.00 0.00 H new ATOM 0 HG3 MET A 7 -11.002 -8.742 -11.974 1.00 0.00 H new ATOM 0 HE1 MET A 7 -13.877 -7.001 -13.690 1.00 0.00 H new ATOM 0 HE2 MET A 7 -12.758 -8.262 -14.260 1.00 0.00 H new ATOM 0 HE3 MET A 7 -13.335 -8.279 -12.576 1.00 0.00 H new ATOM 109 N SER A 8 -8.033 -9.703 -9.180 1.00 0.00 N ATOM 110 CA SER A 8 -8.421 -10.369 -7.933 1.00 0.00 C ATOM 111 C SER A 8 -7.931 -9.566 -6.732 1.00 0.00 C ATOM 112 O SER A 8 -7.292 -8.526 -6.892 1.00 0.00 O ATOM 113 CB SER A 8 -7.823 -11.778 -7.888 1.00 0.00 C ATOM 114 OG SER A 8 -7.776 -12.226 -6.539 1.00 0.00 O ATOM 0 H SER A 8 -7.025 -9.628 -9.319 1.00 0.00 H new ATOM 0 HA SER A 8 -9.508 -10.436 -7.895 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.424 -12.460 -8.489 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.821 -11.774 -8.317 1.00 0.00 H new ATOM 0 HG SER A 8 -7.395 -13.128 -6.507 1.00 0.00 H new ATOM 120 N ARG A 9 -8.229 -10.052 -5.531 1.00 0.00 N ATOM 121 CA ARG A 9 -7.814 -9.374 -4.325 1.00 0.00 C ATOM 122 C ARG A 9 -6.309 -9.501 -4.157 1.00 0.00 C ATOM 123 O ARG A 9 -5.658 -8.585 -3.686 1.00 0.00 O ATOM 124 CB ARG A 9 -8.533 -9.989 -3.120 1.00 0.00 C ATOM 125 CG ARG A 9 -8.020 -11.416 -2.896 1.00 0.00 C ATOM 126 CD ARG A 9 -8.932 -12.156 -1.913 1.00 0.00 C ATOM 127 NE ARG A 9 -8.214 -13.280 -1.323 1.00 0.00 N ATOM 128 CZ ARG A 9 -8.728 -13.982 -0.318 1.00 0.00 C ATOM 129 NH1 ARG A 9 -9.906 -13.681 0.156 1.00 0.00 N ATOM 130 NH2 ARG A 9 -8.054 -14.977 0.191 1.00 0.00 N ATOM 0 H ARG A 9 -8.756 -10.912 -5.375 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.073 -8.317 -4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.358 -9.384 -2.230 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.609 -10.000 -3.291 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.985 -11.951 -3.845 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.002 -11.388 -2.508 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.267 -11.475 -1.130 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.824 -12.513 -2.428 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.297 -13.533 -1.690 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.434 -12.906 -0.245 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.299 -14.221 0.927 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.135 -15.214 -0.182 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.446 -15.517 0.962 1.00 0.00 H new ATOM 144 N GLU A 10 -5.771 -10.651 -4.559 1.00 0.00 N ATOM 145 CA GLU A 10 -4.339 -10.910 -4.457 1.00 0.00 C ATOM 146 C GLU A 10 -3.517 -9.682 -4.834 1.00 0.00 C ATOM 147 O GLU A 10 -2.406 -9.490 -4.338 1.00 0.00 O ATOM 148 CB GLU A 10 -3.969 -12.069 -5.386 1.00 0.00 C ATOM 149 CG GLU A 10 -4.132 -11.633 -6.852 1.00 0.00 C ATOM 150 CD GLU A 10 -4.342 -12.849 -7.748 1.00 0.00 C ATOM 151 OE1 GLU A 10 -4.203 -13.956 -7.253 1.00 0.00 O ATOM 152 OE2 GLU A 10 -4.642 -12.657 -8.914 1.00 0.00 O ATOM 0 H GLU A 10 -6.309 -11.420 -4.960 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.114 -11.163 -3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.941 -12.381 -5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.605 -12.930 -5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.980 -10.955 -6.944 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.248 -11.084 -7.175 1.00 0.00 H new ATOM 159 N THR A 11 -4.070 -8.853 -5.706 1.00 0.00 N ATOM 160 CA THR A 11 -3.385 -7.639 -6.146 1.00 0.00 C ATOM 161 C THR A 11 -3.658 -6.488 -5.184 1.00 0.00 C ATOM 162 O THR A 11 -2.855 -5.565 -5.055 1.00 0.00 O ATOM 163 CB THR A 11 -3.872 -7.254 -7.544 1.00 0.00 C ATOM 164 OG1 THR A 11 -3.550 -8.291 -8.462 1.00 0.00 O ATOM 165 CG2 THR A 11 -3.198 -5.953 -7.982 1.00 0.00 C ATOM 0 H THR A 11 -4.989 -8.995 -6.125 1.00 0.00 H new ATOM 0 HA THR A 11 -2.313 -7.834 -6.166 1.00 0.00 H new ATOM 0 HB THR A 11 -4.952 -7.111 -7.524 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.710 -8.075 -8.918 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.546 -5.680 -8.978 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.450 -5.158 -7.280 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.117 -6.092 -8.001 1.00 0.00 H new ATOM 173 N ALA A 12 -4.815 -6.547 -4.537 1.00 0.00 N ATOM 174 CA ALA A 12 -5.246 -5.512 -3.604 1.00 0.00 C ATOM 175 C ALA A 12 -4.686 -5.705 -2.196 1.00 0.00 C ATOM 176 O ALA A 12 -5.086 -5.003 -1.269 1.00 0.00 O ATOM 177 CB ALA A 12 -6.761 -5.557 -3.521 1.00 0.00 C ATOM 0 H ALA A 12 -5.481 -7.312 -4.644 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.875 -4.557 -3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.110 -4.791 -2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.185 -5.374 -4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.077 -6.538 -3.167 1.00 0.00 H new ATOM 183 N LEU A 13 -3.760 -6.645 -2.035 1.00 0.00 N ATOM 184 CA LEU A 13 -3.152 -6.901 -0.713 1.00 0.00 C ATOM 185 C LEU A 13 -1.708 -6.393 -0.686 1.00 0.00 C ATOM 186 O LEU A 13 -1.183 -6.050 0.372 1.00 0.00 O ATOM 187 CB LEU A 13 -3.182 -8.417 -0.357 1.00 0.00 C ATOM 188 CG LEU A 13 -4.231 -9.165 -1.190 1.00 0.00 C ATOM 189 CD1 LEU A 13 -4.137 -10.662 -0.879 1.00 0.00 C ATOM 190 CD2 LEU A 13 -5.653 -8.660 -0.859 1.00 0.00 C ATOM 0 H LEU A 13 -3.411 -7.240 -2.786 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.740 -6.364 0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.198 -8.853 -0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.402 -8.539 0.704 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.038 -8.986 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.879 -11.203 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.140 -11.024 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.325 -10.826 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.381 -9.204 -1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.861 -8.825 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.722 -7.595 -1.081 1.00 0.00 H new ATOM 202 N ARG A 14 -1.071 -6.360 -1.853 1.00 0.00 N ATOM 203 CA ARG A 14 0.314 -5.906 -1.950 1.00 0.00 C ATOM 204 C ARG A 14 0.393 -4.381 -1.986 1.00 0.00 C ATOM 205 O ARG A 14 1.442 -3.802 -1.708 1.00 0.00 O ATOM 206 CB ARG A 14 0.956 -6.491 -3.219 1.00 0.00 C ATOM 207 CG ARG A 14 2.370 -5.917 -3.426 1.00 0.00 C ATOM 208 CD ARG A 14 2.306 -4.515 -4.059 1.00 0.00 C ATOM 209 NE ARG A 14 1.410 -4.508 -5.221 1.00 0.00 N ATOM 210 CZ ARG A 14 1.851 -4.368 -6.476 1.00 0.00 C ATOM 211 NH1 ARG A 14 3.129 -4.255 -6.733 1.00 0.00 N ATOM 212 NH2 ARG A 14 0.994 -4.353 -7.460 1.00 0.00 N ATOM 0 H ARG A 14 -1.488 -6.640 -2.740 1.00 0.00 H new ATOM 0 HA ARG A 14 0.854 -6.252 -1.068 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.007 -7.577 -3.140 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.335 -6.263 -4.085 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.890 -5.865 -2.469 1.00 0.00 H new ATOM 0 HG3 ARG A 14 2.947 -6.584 -4.066 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.957 -3.793 -3.321 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.305 -4.202 -4.363 1.00 0.00 H new ATOM 0 HE ARG A 14 0.408 -4.614 -5.065 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.448 -4.149 -7.696 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.003 -4.448 -7.269 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.322 -4.247 -8.420 1.00 0.00 H new ATOM 226 N ILE A 15 -0.707 -3.732 -2.347 1.00 0.00 N ATOM 227 CA ILE A 15 -0.719 -2.274 -2.433 1.00 0.00 C ATOM 228 C ILE A 15 -0.458 -1.638 -1.070 1.00 0.00 C ATOM 229 O ILE A 15 0.013 -0.504 -0.986 1.00 0.00 O ATOM 230 CB ILE A 15 -2.071 -1.787 -2.972 1.00 0.00 C ATOM 231 CG1 ILE A 15 -2.538 -2.703 -4.109 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.934 -0.355 -3.494 1.00 0.00 C ATOM 233 CD1 ILE A 15 -1.424 -2.872 -5.149 1.00 0.00 C ATOM 0 H ILE A 15 -1.591 -4.183 -2.582 1.00 0.00 H new ATOM 0 HA ILE A 15 0.077 -1.974 -3.114 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.804 -1.810 -2.166 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.821 -3.676 -3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.426 -2.283 -4.582 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.896 -0.013 -3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.612 0.299 -2.683 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.196 -0.329 -4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.770 -3.525 -5.950 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.161 -1.898 -5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.547 -3.313 -4.675 1.00 0.00 H new ATOM 245 N ALA A 16 -0.789 -2.361 -0.001 1.00 0.00 N ATOM 246 CA ALA A 16 -0.611 -1.846 1.352 1.00 0.00 C ATOM 247 C ALA A 16 0.741 -2.229 1.937 1.00 0.00 C ATOM 248 O ALA A 16 1.251 -1.546 2.821 1.00 0.00 O ATOM 249 CB ALA A 16 -1.738 -2.354 2.244 1.00 0.00 C ATOM 0 H ALA A 16 -1.180 -3.302 -0.047 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.642 -0.758 1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.604 -1.969 3.255 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.696 -2.014 1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.721 -3.444 2.266 1.00 0.00 H new ATOM 255 N LEU A 17 1.336 -3.297 1.440 1.00 0.00 N ATOM 256 CA LEU A 17 2.644 -3.697 1.941 1.00 0.00 C ATOM 257 C LEU A 17 3.647 -2.605 1.587 1.00 0.00 C ATOM 258 O LEU A 17 4.589 -2.337 2.332 1.00 0.00 O ATOM 259 CB LEU A 17 3.065 -5.045 1.324 1.00 0.00 C ATOM 260 CG LEU A 17 2.611 -6.224 2.213 1.00 0.00 C ATOM 261 CD1 LEU A 17 3.494 -6.327 3.473 1.00 0.00 C ATOM 262 CD2 LEU A 17 1.136 -6.040 2.626 1.00 0.00 C ATOM 0 H LEU A 17 0.949 -3.893 0.708 1.00 0.00 H new ATOM 0 HA LEU A 17 2.607 -3.826 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.630 -5.146 0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.148 -5.072 1.203 1.00 0.00 H new ATOM 0 HG LEU A 17 2.712 -7.145 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.158 -7.163 4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.531 -6.487 3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.418 -5.403 4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.826 -6.877 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.028 -5.110 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.510 -6.003 1.734 1.00 0.00 H new ATOM 274 N ALA A 18 3.419 -1.979 0.441 1.00 0.00 N ATOM 275 CA ALA A 18 4.281 -0.907 -0.027 1.00 0.00 C ATOM 276 C ALA A 18 4.391 0.188 1.029 1.00 0.00 C ATOM 277 O ALA A 18 5.486 0.663 1.321 1.00 0.00 O ATOM 278 CB ALA A 18 3.716 -0.344 -1.332 1.00 0.00 C ATOM 0 H ALA A 18 2.642 -2.197 -0.182 1.00 0.00 H new ATOM 0 HA ALA A 18 5.282 -1.298 -0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.358 0.461 -1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.674 -1.134 -2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.712 0.043 -1.157 1.00 0.00 H new ATOM 284 N ALA A 19 3.254 0.579 1.606 1.00 0.00 N ATOM 285 CA ALA A 19 3.265 1.616 2.642 1.00 0.00 C ATOM 286 C ALA A 19 4.421 1.357 3.606 1.00 0.00 C ATOM 287 O ALA A 19 5.070 2.287 4.084 1.00 0.00 O ATOM 288 CB ALA A 19 1.943 1.636 3.405 1.00 0.00 C ATOM 0 H ALA A 19 2.332 0.204 1.381 1.00 0.00 H new ATOM 0 HA ALA A 19 3.396 2.587 2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.975 2.413 4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.126 1.841 2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.782 0.668 3.880 1.00 0.00 H new ATOM 294 N ARG A 20 4.683 0.077 3.860 1.00 0.00 N ATOM 295 CA ARG A 20 5.776 -0.310 4.739 1.00 0.00 C ATOM 296 C ARG A 20 7.098 0.141 4.124 1.00 0.00 C ATOM 297 O ARG A 20 7.979 0.652 4.816 1.00 0.00 O ATOM 298 CB ARG A 20 5.773 -1.834 4.922 1.00 0.00 C ATOM 299 CG ARG A 20 6.591 -2.217 6.160 1.00 0.00 C ATOM 300 CD ARG A 20 6.924 -3.711 6.109 1.00 0.00 C ATOM 301 NE ARG A 20 7.640 -4.114 7.313 1.00 0.00 N ATOM 302 CZ ARG A 20 8.141 -5.338 7.432 1.00 0.00 C ATOM 303 NH1 ARG A 20 7.993 -6.200 6.464 1.00 0.00 N ATOM 304 NH2 ARG A 20 8.780 -5.679 8.517 1.00 0.00 N ATOM 0 H ARG A 20 4.155 -0.704 3.470 1.00 0.00 H new ATOM 0 HA ARG A 20 5.652 0.163 5.713 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.749 -2.193 5.027 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.190 -2.315 4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.509 -1.630 6.199 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.029 -1.989 7.066 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.006 -4.291 6.013 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.530 -3.925 5.229 1.00 0.00 H new ATOM 0 HE ARG A 20 7.758 -3.446 8.075 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.493 -5.934 5.616 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.378 -7.140 6.555 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.895 -5.005 9.274 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.165 -6.619 8.608 1.00 0.00 H new ATOM 318 N ALA A 21 7.217 -0.048 2.812 1.00 0.00 N ATOM 319 CA ALA A 21 8.418 0.340 2.082 1.00 0.00 C ATOM 320 C ALA A 21 8.631 1.841 2.142 1.00 0.00 C ATOM 321 O ALA A 21 9.658 2.346 1.689 1.00 0.00 O ATOM 322 CB ALA A 21 8.276 -0.054 0.614 1.00 0.00 C ATOM 0 H ALA A 21 6.492 -0.470 2.232 1.00 0.00 H new ATOM 0 HA ALA A 21 9.266 -0.168 2.542 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.175 0.237 0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.140 -1.133 0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.412 0.452 0.183 1.00 0.00 H new ATOM 328 N LEU A 22 7.655 2.554 2.691 1.00 0.00 N ATOM 329 CA LEU A 22 7.731 4.008 2.795 1.00 0.00 C ATOM 330 C LEU A 22 7.659 4.426 4.273 1.00 0.00 C ATOM 331 O LEU A 22 6.606 4.285 4.894 1.00 0.00 O ATOM 332 CB LEU A 22 6.548 4.636 2.043 1.00 0.00 C ATOM 333 CG LEU A 22 6.288 3.914 0.704 1.00 0.00 C ATOM 334 CD1 LEU A 22 4.976 4.439 0.104 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.460 4.149 -0.276 1.00 0.00 C ATOM 0 H LEU A 22 6.800 2.149 3.072 1.00 0.00 H new ATOM 0 HA LEU A 22 8.671 4.349 2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.653 4.589 2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.751 5.691 1.857 1.00 0.00 H new ATOM 0 HG LEU A 22 6.208 2.841 0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.782 3.936 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.156 4.242 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.058 5.513 -0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.259 3.632 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.567 5.217 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.382 3.764 0.160 1.00 0.00 H new ATOM 347 N PRO A 23 8.728 4.922 4.859 1.00 0.00 N ATOM 348 CA PRO A 23 8.717 5.334 6.291 1.00 0.00 C ATOM 349 C PRO A 23 8.126 6.730 6.491 1.00 0.00 C ATOM 350 O PRO A 23 8.822 7.653 6.915 1.00 0.00 O ATOM 351 CB PRO A 23 10.200 5.292 6.671 1.00 0.00 C ATOM 352 CG PRO A 23 10.924 5.654 5.410 1.00 0.00 C ATOM 353 CD PRO A 23 10.054 5.150 4.246 1.00 0.00 C ATOM 0 HA PRO A 23 8.092 4.688 6.908 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.424 5.996 7.473 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.491 4.303 7.025 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.073 6.732 5.344 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.912 5.193 5.384 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.000 5.884 3.442 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.457 4.233 3.815 1.00 0.00 H new ATOM 361 N GLY A 24 6.836 6.877 6.190 1.00 0.00 N ATOM 362 CA GLY A 24 6.168 8.165 6.352 1.00 0.00 C ATOM 363 C GLY A 24 4.912 8.261 5.487 1.00 0.00 C ATOM 364 O GLY A 24 3.911 8.847 5.898 1.00 0.00 O ATOM 0 H GLY A 24 6.240 6.129 5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.901 8.308 7.399 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.856 8.968 6.086 1.00 0.00 H new ATOM 368 N THR A 25 4.975 7.696 4.285 1.00 0.00 N ATOM 369 CA THR A 25 3.838 7.739 3.367 1.00 0.00 C ATOM 370 C THR A 25 2.802 6.675 3.713 1.00 0.00 C ATOM 371 O THR A 25 3.145 5.541 4.047 1.00 0.00 O ATOM 372 CB THR A 25 4.317 7.517 1.934 1.00 0.00 C ATOM 373 OG1 THR A 25 5.413 8.379 1.661 1.00 0.00 O ATOM 374 CG2 THR A 25 3.180 7.808 0.956 1.00 0.00 C ATOM 0 H THR A 25 5.794 7.206 3.924 1.00 0.00 H new ATOM 0 HA THR A 25 3.374 8.721 3.461 1.00 0.00 H new ATOM 0 HB THR A 25 4.632 6.480 1.817 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.721 8.235 0.742 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.528 7.648 -0.064 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.343 7.141 1.163 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.857 8.843 1.071 1.00 0.00 H new ATOM 382 N THR A 26 1.530 7.053 3.618 1.00 0.00 N ATOM 383 CA THR A 26 0.434 6.148 3.904 1.00 0.00 C ATOM 384 C THR A 26 0.079 5.346 2.649 1.00 0.00 C ATOM 385 O THR A 26 0.522 5.673 1.548 1.00 0.00 O ATOM 386 CB THR A 26 -0.774 6.982 4.386 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.327 8.290 4.705 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.393 6.361 5.633 1.00 0.00 C ATOM 0 H THR A 26 1.237 7.990 3.342 1.00 0.00 H new ATOM 0 HA THR A 26 0.719 5.441 4.683 1.00 0.00 H new ATOM 0 HB THR A 26 -1.523 7.009 3.594 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.086 8.830 5.011 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.242 6.963 5.956 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.731 5.350 5.406 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.649 6.325 6.429 1.00 0.00 H new ATOM 396 N VAL A 27 -0.713 4.297 2.826 1.00 0.00 N ATOM 397 CA VAL A 27 -1.110 3.453 1.705 1.00 0.00 C ATOM 398 C VAL A 27 -1.877 4.254 0.661 1.00 0.00 C ATOM 399 O VAL A 27 -1.470 4.334 -0.498 1.00 0.00 O ATOM 400 CB VAL A 27 -1.997 2.298 2.189 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.263 1.335 1.025 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.309 1.540 3.334 1.00 0.00 C ATOM 0 H VAL A 27 -1.092 4.011 3.729 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.199 3.057 1.256 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.940 2.706 2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.893 0.514 1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.769 1.868 0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.317 0.937 0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.950 0.724 3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.359 1.136 2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.129 2.222 4.165 1.00 0.00 H new ATOM 412 N GLY A 28 -2.999 4.823 1.075 1.00 0.00 N ATOM 413 CA GLY A 28 -3.834 5.592 0.164 1.00 0.00 C ATOM 414 C GLY A 28 -3.222 6.947 -0.178 1.00 0.00 C ATOM 415 O GLY A 28 -3.894 7.797 -0.762 1.00 0.00 O ATOM 0 H GLY A 28 -3.351 4.768 2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.987 5.023 -0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.816 5.742 0.613 1.00 0.00 H new ATOM 419 N GLN A 29 -1.950 7.161 0.174 1.00 0.00 N ATOM 420 CA GLN A 29 -1.297 8.440 -0.129 1.00 0.00 C ATOM 421 C GLN A 29 -0.444 8.313 -1.384 1.00 0.00 C ATOM 422 O GLN A 29 -0.069 9.315 -1.991 1.00 0.00 O ATOM 423 CB GLN A 29 -0.420 8.888 1.057 1.00 0.00 C ATOM 424 CG GLN A 29 -1.272 9.626 2.099 1.00 0.00 C ATOM 425 CD GLN A 29 -1.745 10.966 1.542 1.00 0.00 C ATOM 426 OE1 GLN A 29 -2.888 11.088 1.104 1.00 0.00 O ATOM 427 NE2 GLN A 29 -0.928 11.984 1.534 1.00 0.00 N ATOM 0 H GLN A 29 -1.362 6.482 0.658 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.069 9.190 -0.300 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.056 8.021 1.514 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.378 9.540 0.702 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.132 9.015 2.375 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.690 9.786 3.007 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.019 11.881 1.898 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.237 12.883 1.164 1.00 0.00 H new ATOM 436 N LEU A 30 -0.135 7.078 -1.768 1.00 0.00 N ATOM 437 CA LEU A 30 0.687 6.836 -2.955 1.00 0.00 C ATOM 438 C LEU A 30 -0.191 6.619 -4.190 1.00 0.00 C ATOM 439 O LEU A 30 0.283 6.730 -5.319 1.00 0.00 O ATOM 440 CB LEU A 30 1.584 5.616 -2.704 1.00 0.00 C ATOM 441 CG LEU A 30 2.347 5.211 -3.975 1.00 0.00 C ATOM 442 CD1 LEU A 30 3.197 6.385 -4.474 1.00 0.00 C ATOM 443 CD2 LEU A 30 3.264 4.028 -3.648 1.00 0.00 C ATOM 0 H LEU A 30 -0.437 6.234 -1.281 1.00 0.00 H new ATOM 0 HA LEU A 30 1.311 7.710 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.294 5.842 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.975 4.779 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 30 1.634 4.932 -4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.734 6.088 -5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.550 7.233 -4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.912 6.670 -3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.810 3.733 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.971 4.320 -2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.664 3.189 -3.296 1.00 0.00 H new ATOM 455 N LEU A 31 -1.469 6.306 -3.980 1.00 0.00 N ATOM 456 CA LEU A 31 -2.382 6.076 -5.100 1.00 0.00 C ATOM 457 C LEU A 31 -2.951 7.394 -5.628 1.00 0.00 C ATOM 458 O LEU A 31 -3.102 7.575 -6.836 1.00 0.00 O ATOM 459 CB LEU A 31 -3.533 5.171 -4.649 1.00 0.00 C ATOM 460 CG LEU A 31 -2.988 4.048 -3.762 1.00 0.00 C ATOM 461 CD1 LEU A 31 -4.126 3.096 -3.392 1.00 0.00 C ATOM 462 CD2 LEU A 31 -1.905 3.275 -4.519 1.00 0.00 C ATOM 0 H LEU A 31 -1.892 6.207 -3.057 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.822 5.595 -5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.274 5.754 -4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.039 4.749 -5.518 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.560 4.477 -2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.740 2.296 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.898 3.644 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.552 2.668 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.518 2.476 -3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.331 2.845 -5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.093 3.952 -4.785 1.00 0.00 H new ATOM 474 N GLU A 32 -3.272 8.305 -4.715 1.00 0.00 N ATOM 475 CA GLU A 32 -3.836 9.601 -5.094 1.00 0.00 C ATOM 476 C GLU A 32 -3.131 10.174 -6.325 1.00 0.00 C ATOM 477 O GLU A 32 -3.683 11.016 -7.031 1.00 0.00 O ATOM 478 CB GLU A 32 -3.698 10.584 -3.926 1.00 0.00 C ATOM 479 CG GLU A 32 -4.633 11.779 -4.138 1.00 0.00 C ATOM 480 CD GLU A 32 -6.073 11.370 -3.845 1.00 0.00 C ATOM 481 OE1 GLU A 32 -6.341 10.973 -2.723 1.00 0.00 O ATOM 482 OE2 GLU A 32 -6.888 11.460 -4.749 1.00 0.00 O ATOM 0 H GLU A 32 -3.153 8.173 -3.711 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.888 9.455 -5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.939 10.084 -2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.666 10.927 -3.848 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.340 12.602 -3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.550 12.140 -5.163 1.00 0.00 H new ATOM 489 N ILE A 33 -1.907 9.720 -6.569 1.00 0.00 N ATOM 490 CA ILE A 33 -1.135 10.208 -7.708 1.00 0.00 C ATOM 491 C ILE A 33 -1.928 10.105 -9.009 1.00 0.00 C ATOM 492 O ILE A 33 -1.764 10.926 -9.910 1.00 0.00 O ATOM 493 CB ILE A 33 0.167 9.412 -7.838 1.00 0.00 C ATOM 494 CG1 ILE A 33 -0.148 7.934 -8.101 1.00 0.00 C ATOM 495 CG2 ILE A 33 0.961 9.537 -6.539 1.00 0.00 C ATOM 496 CD1 ILE A 33 1.160 7.149 -8.220 1.00 0.00 C ATOM 0 H ILE A 33 -1.430 9.021 -6.000 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.909 11.259 -7.529 1.00 0.00 H new ATOM 0 HB ILE A 33 0.750 9.806 -8.670 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.755 7.530 -7.290 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.731 7.832 -9.017 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.890 8.973 -6.624 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.190 10.586 -6.352 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.371 9.142 -5.712 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.938 6.098 -8.407 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.750 7.548 -9.045 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.725 7.241 -7.293 1.00 0.00 H new ATOM 508 N LEU A 34 -2.774 9.086 -9.107 1.00 0.00 N ATOM 509 CA LEU A 34 -3.567 8.883 -10.314 1.00 0.00 C ATOM 510 C LEU A 34 -4.709 9.899 -10.390 1.00 0.00 C ATOM 511 O LEU A 34 -4.994 10.445 -11.455 1.00 0.00 O ATOM 512 CB LEU A 34 -4.124 7.444 -10.331 1.00 0.00 C ATOM 513 CG LEU A 34 -4.246 6.913 -11.776 1.00 0.00 C ATOM 514 CD1 LEU A 34 -5.058 7.898 -12.628 1.00 0.00 C ATOM 515 CD2 LEU A 34 -2.847 6.708 -12.402 1.00 0.00 C ATOM 0 H LEU A 34 -2.928 8.394 -8.374 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.928 9.030 -11.184 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.470 6.790 -9.754 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.101 7.423 -9.849 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.759 5.951 -11.749 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.140 7.517 -13.646 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.055 8.012 -12.202 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.557 8.866 -12.642 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.955 6.334 -13.420 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.314 7.658 -12.420 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.285 5.987 -11.808 1.00 0.00 H new ATOM 527 N HIS A 35 -5.359 10.145 -9.258 1.00 0.00 N ATOM 528 CA HIS A 35 -6.467 11.093 -9.218 1.00 0.00 C ATOM 529 C HIS A 35 -7.567 10.671 -10.188 1.00 0.00 C ATOM 530 O HIS A 35 -7.746 11.282 -11.243 1.00 0.00 O ATOM 531 CB HIS A 35 -5.974 12.496 -9.580 1.00 0.00 C ATOM 532 CG HIS A 35 -7.075 13.489 -9.336 1.00 0.00 C ATOM 533 ND1 HIS A 35 -7.887 13.431 -8.216 1.00 0.00 N ATOM 534 CD2 HIS A 35 -7.514 14.569 -10.062 1.00 0.00 C ATOM 535 CE1 HIS A 35 -8.764 14.448 -8.297 1.00 0.00 C ATOM 536 NE2 HIS A 35 -8.580 15.172 -9.404 1.00 0.00 N ATOM 0 H HIS A 35 -5.141 9.706 -8.363 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.873 11.104 -8.206 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.099 12.752 -8.982 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.666 12.527 -10.625 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.095 14.899 -11.001 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -9.524 14.654 -7.557 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -9.108 15.992 -9.703 1.00 0.00 H new ATOM 545 N GLN A 36 -8.298 9.623 -9.823 1.00 0.00 N ATOM 546 CA GLN A 36 -9.380 9.122 -10.665 1.00 0.00 C ATOM 547 C GLN A 36 -10.406 10.218 -10.936 1.00 0.00 C ATOM 548 O GLN A 36 -10.096 11.406 -10.850 1.00 0.00 O ATOM 549 CB GLN A 36 -10.064 7.938 -9.978 1.00 0.00 C ATOM 550 CG GLN A 36 -10.766 8.421 -8.707 1.00 0.00 C ATOM 551 CD GLN A 36 -11.116 7.231 -7.820 1.00 0.00 C ATOM 552 OE1 GLN A 36 -10.905 6.081 -8.208 1.00 0.00 O ATOM 553 NE2 GLN A 36 -11.642 7.439 -6.644 1.00 0.00 N ATOM 0 H GLN A 36 -8.163 9.106 -8.954 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.956 8.799 -11.616 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.786 7.480 -10.653 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.328 7.172 -9.731 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.120 9.112 -8.165 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.671 8.969 -8.968 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.816 8.392 -6.324 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.879 6.649 -6.044 1.00 0.00 H new ATOM 562 N ARG A 37 -11.629 9.811 -11.264 1.00 0.00 N ATOM 563 CA ARG A 37 -12.691 10.770 -11.546 1.00 0.00 C ATOM 564 C ARG A 37 -14.044 10.068 -11.637 1.00 0.00 C ATOM 565 O ARG A 37 -15.091 10.716 -11.610 1.00 0.00 O ATOM 566 CB ARG A 37 -12.399 11.497 -12.860 1.00 0.00 C ATOM 567 CG ARG A 37 -13.416 12.625 -13.059 1.00 0.00 C ATOM 568 CD ARG A 37 -12.967 13.536 -14.208 1.00 0.00 C ATOM 569 NE ARG A 37 -11.975 14.493 -13.734 1.00 0.00 N ATOM 570 CZ ARG A 37 -11.505 15.445 -14.533 1.00 0.00 C ATOM 571 NH1 ARG A 37 -11.922 15.523 -15.768 1.00 0.00 N ATOM 572 NH2 ARG A 37 -10.625 16.299 -14.086 1.00 0.00 N ATOM 0 H ARG A 37 -11.907 8.833 -11.340 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.728 11.492 -10.730 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.388 11.904 -12.846 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.449 10.797 -13.694 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.398 12.206 -13.278 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.514 13.204 -12.141 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.547 12.936 -15.015 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.827 14.066 -14.619 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.636 14.431 -12.774 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.608 14.854 -16.118 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.562 16.253 -16.383 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.297 16.236 -13.122 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.265 17.029 -14.701 1.00 0.00 H new ATOM 586 N ILE A 38 -14.017 8.743 -11.742 1.00 0.00 N ATOM 587 CA ILE A 38 -15.251 7.967 -11.833 1.00 0.00 C ATOM 588 C ILE A 38 -15.010 6.527 -11.388 1.00 0.00 C ATOM 589 O ILE A 38 -13.871 6.063 -11.343 1.00 0.00 O ATOM 590 CB ILE A 38 -15.779 7.989 -13.273 1.00 0.00 C ATOM 591 CG1 ILE A 38 -16.971 7.034 -13.400 1.00 0.00 C ATOM 592 CG2 ILE A 38 -14.672 7.551 -14.235 1.00 0.00 C ATOM 593 CD1 ILE A 38 -17.724 7.325 -14.700 1.00 0.00 C ATOM 0 H ILE A 38 -13.162 8.187 -11.766 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.994 8.416 -11.173 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.097 9.001 -13.522 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -16.625 6.001 -13.392 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.638 7.153 -12.547 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -15.050 7.568 -15.257 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -13.826 8.233 -14.150 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -14.350 6.540 -13.984 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -18.571 6.645 -14.790 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -18.083 8.354 -14.690 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -17.054 7.183 -15.548 1.00 0.00 H new ATOM 605 N GLU A 39 -16.092 5.826 -11.063 1.00 0.00 N ATOM 606 CA GLU A 39 -15.990 4.439 -10.626 1.00 0.00 C ATOM 607 C GLU A 39 -15.379 3.578 -11.727 1.00 0.00 C ATOM 608 O GLU A 39 -15.708 3.731 -12.903 1.00 0.00 O ATOM 609 CB GLU A 39 -17.376 3.901 -10.264 1.00 0.00 C ATOM 610 CG GLU A 39 -17.887 4.603 -9.003 1.00 0.00 C ATOM 611 CD GLU A 39 -18.118 6.083 -9.287 1.00 0.00 C ATOM 612 OE1 GLU A 39 -19.093 6.393 -9.952 1.00 0.00 O ATOM 613 OE2 GLU A 39 -17.318 6.886 -8.835 1.00 0.00 O ATOM 0 H GLU A 39 -17.043 6.193 -11.094 1.00 0.00 H new ATOM 0 HA GLU A 39 -15.346 4.399 -9.747 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -18.068 4.066 -11.090 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.328 2.825 -10.099 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.815 4.139 -8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -17.165 4.488 -8.195 1.00 0.00 H new ATOM 620 N GLY A 40 -14.487 2.674 -11.337 1.00 0.00 N ATOM 621 CA GLY A 40 -13.834 1.793 -12.298 1.00 0.00 C ATOM 622 C GLY A 40 -12.787 0.922 -11.611 1.00 0.00 C ATOM 623 O GLY A 40 -12.491 1.107 -10.431 1.00 0.00 O ATOM 0 H GLY A 40 -14.201 2.532 -10.368 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.578 1.161 -12.782 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.362 2.387 -13.081 1.00 0.00 H new ATOM 627 N PRO A 41 -12.227 -0.017 -12.326 1.00 0.00 N ATOM 628 CA PRO A 41 -11.190 -0.938 -11.777 1.00 0.00 C ATOM 629 C PRO A 41 -9.849 -0.231 -11.577 1.00 0.00 C ATOM 630 O PRO A 41 -9.671 0.912 -11.999 1.00 0.00 O ATOM 631 CB PRO A 41 -11.093 -2.039 -12.842 1.00 0.00 C ATOM 632 CG PRO A 41 -11.481 -1.367 -14.120 1.00 0.00 C ATOM 633 CD PRO A 41 -12.522 -0.306 -13.741 1.00 0.00 C ATOM 0 HA PRO A 41 -11.450 -1.322 -10.790 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.084 -2.446 -12.900 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.760 -2.871 -12.614 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.615 -0.910 -14.599 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.895 -2.085 -14.828 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.428 0.586 -14.360 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.538 -0.678 -13.870 1.00 0.00 H new ATOM 641 N LEU A 42 -8.916 -0.919 -10.931 1.00 0.00 N ATOM 642 CA LEU A 42 -7.597 -0.351 -10.676 1.00 0.00 C ATOM 643 C LEU A 42 -6.591 -1.464 -10.399 1.00 0.00 C ATOM 644 O LEU A 42 -5.979 -1.511 -9.331 1.00 0.00 O ATOM 645 CB LEU A 42 -7.665 0.603 -9.475 1.00 0.00 C ATOM 646 CG LEU A 42 -6.433 1.535 -9.458 1.00 0.00 C ATOM 647 CD1 LEU A 42 -6.660 2.742 -10.381 1.00 0.00 C ATOM 648 CD2 LEU A 42 -6.194 2.044 -8.032 1.00 0.00 C ATOM 0 H LEU A 42 -9.046 -1.866 -10.575 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.274 0.204 -11.557 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.578 1.197 -9.525 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.708 0.030 -8.549 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.568 0.971 -9.807 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.783 3.388 -10.357 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.827 2.394 -11.400 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.532 3.301 -10.041 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.325 2.701 -8.021 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.070 2.595 -7.691 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.017 1.198 -7.368 1.00 0.00 H new ATOM 660 N THR A 43 -6.433 -2.360 -11.367 1.00 0.00 N ATOM 661 CA THR A 43 -5.505 -3.474 -11.221 1.00 0.00 C ATOM 662 C THR A 43 -4.064 -2.980 -11.226 1.00 0.00 C ATOM 663 O THR A 43 -3.807 -1.779 -11.300 1.00 0.00 O ATOM 664 CB THR A 43 -5.698 -4.471 -12.369 1.00 0.00 C ATOM 665 OG1 THR A 43 -4.923 -4.056 -13.484 1.00 0.00 O ATOM 666 CG2 THR A 43 -7.174 -4.522 -12.767 1.00 0.00 C ATOM 0 H THR A 43 -6.933 -2.337 -12.256 1.00 0.00 H new ATOM 0 HA THR A 43 -5.710 -3.964 -10.269 1.00 0.00 H new ATOM 0 HB THR A 43 -5.379 -5.462 -12.046 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.042 -4.692 -14.220 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.306 -5.232 -13.583 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.771 -4.838 -11.911 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.498 -3.533 -13.090 1.00 0.00 H new ATOM 674 N GLU A 44 -3.129 -3.919 -11.152 1.00 0.00 N ATOM 675 CA GLU A 44 -1.712 -3.578 -11.156 1.00 0.00 C ATOM 676 C GLU A 44 -1.258 -3.220 -12.566 1.00 0.00 C ATOM 677 O GLU A 44 -0.296 -2.475 -12.747 1.00 0.00 O ATOM 678 CB GLU A 44 -0.895 -4.767 -10.645 1.00 0.00 C ATOM 679 CG GLU A 44 -1.143 -5.984 -11.543 1.00 0.00 C ATOM 680 CD GLU A 44 -0.693 -7.258 -10.836 1.00 0.00 C ATOM 681 OE1 GLU A 44 -0.921 -7.360 -9.640 1.00 0.00 O ATOM 682 OE2 GLU A 44 -0.128 -8.112 -11.497 1.00 0.00 O ATOM 0 H GLU A 44 -3.325 -4.918 -11.089 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.556 -2.718 -10.504 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.166 -4.517 -10.639 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.174 -4.998 -9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.202 -6.052 -11.792 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.601 -5.869 -12.482 1.00 0.00 H new ATOM 689 N GLU A 45 -1.957 -3.759 -13.559 1.00 0.00 N ATOM 690 CA GLU A 45 -1.614 -3.497 -14.953 1.00 0.00 C ATOM 691 C GLU A 45 -1.992 -2.070 -15.346 1.00 0.00 C ATOM 692 O GLU A 45 -1.313 -1.440 -16.158 1.00 0.00 O ATOM 693 CB GLU A 45 -2.339 -4.492 -15.862 1.00 0.00 C ATOM 694 CG GLU A 45 -1.785 -5.899 -15.624 1.00 0.00 C ATOM 695 CD GLU A 45 -0.415 -6.039 -16.282 1.00 0.00 C ATOM 696 OE1 GLU A 45 -0.362 -6.031 -17.500 1.00 0.00 O ATOM 697 OE2 GLU A 45 0.559 -6.151 -15.557 1.00 0.00 O ATOM 0 H GLU A 45 -2.759 -4.376 -13.427 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.537 -3.615 -15.070 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.410 -4.472 -15.659 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.207 -4.210 -16.906 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.705 -6.091 -14.554 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.471 -6.642 -16.031 1.00 0.00 H new ATOM 704 N SER A 46 -3.079 -1.569 -14.768 1.00 0.00 N ATOM 705 CA SER A 46 -3.538 -0.216 -15.067 1.00 0.00 C ATOM 706 C SER A 46 -2.575 0.819 -14.486 1.00 0.00 C ATOM 707 O SER A 46 -2.392 1.897 -15.053 1.00 0.00 O ATOM 708 CB SER A 46 -4.943 -0.004 -14.488 1.00 0.00 C ATOM 709 OG SER A 46 -5.900 -0.581 -15.366 1.00 0.00 O ATOM 0 H SER A 46 -3.655 -2.074 -14.095 1.00 0.00 H new ATOM 0 HA SER A 46 -3.570 -0.091 -16.149 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.016 -0.460 -13.501 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.141 1.060 -14.363 1.00 0.00 H new ATOM 0 HG SER A 46 -6.800 -0.450 -15.001 1.00 0.00 H new ATOM 715 N LEU A 47 -1.968 0.489 -13.351 1.00 0.00 N ATOM 716 CA LEU A 47 -1.033 1.403 -12.706 1.00 0.00 C ATOM 717 C LEU A 47 0.262 1.506 -13.509 1.00 0.00 C ATOM 718 O LEU A 47 0.936 2.535 -13.483 1.00 0.00 O ATOM 719 CB LEU A 47 -0.722 0.915 -11.284 1.00 0.00 C ATOM 720 CG LEU A 47 -0.123 2.066 -10.443 1.00 0.00 C ATOM 721 CD1 LEU A 47 -1.244 2.895 -9.802 1.00 0.00 C ATOM 722 CD2 LEU A 47 0.761 1.487 -9.331 1.00 0.00 C ATOM 0 H LEU A 47 -2.105 -0.396 -12.863 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.493 2.390 -12.659 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.632 0.545 -10.812 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.021 0.081 -11.323 1.00 0.00 H new ATOM 0 HG LEU A 47 0.470 2.703 -11.099 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.808 3.702 -9.213 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.877 3.317 -10.583 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.844 2.256 -9.154 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.182 2.300 -8.740 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.161 0.843 -8.687 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.569 0.905 -9.774 1.00 0.00 H new ATOM 734 N GLN A 48 0.601 0.436 -14.222 1.00 0.00 N ATOM 735 CA GLN A 48 1.818 0.423 -15.030 1.00 0.00 C ATOM 736 C GLN A 48 1.722 1.461 -16.141 1.00 0.00 C ATOM 737 O GLN A 48 1.605 1.118 -17.318 1.00 0.00 O ATOM 738 CB GLN A 48 2.036 -0.964 -15.644 1.00 0.00 C ATOM 739 CG GLN A 48 2.533 -1.941 -14.575 1.00 0.00 C ATOM 740 CD GLN A 48 2.973 -3.248 -15.229 1.00 0.00 C ATOM 741 OE1 GLN A 48 2.293 -4.339 -15.009 1.00 0.00 O flip ATOM 742 NE2 GLN A 48 3.963 -3.274 -15.960 1.00 0.00 N flip ATOM 0 H GLN A 48 0.057 -0.426 -14.258 1.00 0.00 H new ATOM 0 HA GLN A 48 2.662 0.664 -14.384 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.104 -1.329 -16.076 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.761 -0.901 -16.455 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.366 -1.501 -14.026 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.741 -2.135 -13.851 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.493 -2.420 -16.131 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.253 -4.150 -16.395 1.00 0.00 H new ATOM 751 N GLY A 49 1.774 2.732 -15.758 1.00 0.00 N ATOM 752 CA GLY A 49 1.695 3.822 -16.724 1.00 0.00 C ATOM 753 C GLY A 49 2.409 5.059 -16.193 1.00 0.00 C ATOM 754 O GLY A 49 2.337 6.134 -16.790 1.00 0.00 O ATOM 0 H GLY A 49 1.870 3.033 -14.788 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.144 3.513 -17.668 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.651 4.058 -16.930 1.00 0.00 H new ATOM 758 N VAL A 50 3.097 4.898 -15.061 1.00 0.00 N ATOM 759 CA VAL A 50 3.832 6.005 -14.435 1.00 0.00 C ATOM 760 C VAL A 50 5.302 5.614 -14.248 1.00 0.00 C ATOM 761 O VAL A 50 5.687 4.479 -14.524 1.00 0.00 O ATOM 762 CB VAL A 50 3.160 6.359 -13.077 1.00 0.00 C ATOM 763 CG1 VAL A 50 3.817 5.601 -11.908 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.254 7.871 -12.816 1.00 0.00 C ATOM 0 H VAL A 50 3.162 4.013 -14.557 1.00 0.00 H new ATOM 0 HA VAL A 50 3.802 6.886 -15.076 1.00 0.00 H new ATOM 0 HB VAL A 50 2.114 6.059 -13.141 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.323 5.872 -10.975 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.721 4.527 -12.071 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.873 5.866 -11.850 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.780 8.106 -11.863 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.302 8.170 -12.784 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.747 8.411 -13.616 1.00 0.00 H new ATOM 774 N SER A 51 6.116 6.555 -13.769 1.00 0.00 N ATOM 775 CA SER A 51 7.541 6.302 -13.531 1.00 0.00 C ATOM 776 C SER A 51 7.834 6.517 -12.054 1.00 0.00 C ATOM 777 O SER A 51 7.024 7.116 -11.357 1.00 0.00 O ATOM 778 CB SER A 51 8.393 7.252 -14.373 1.00 0.00 C ATOM 779 OG SER A 51 8.232 6.933 -15.750 1.00 0.00 O ATOM 0 H SER A 51 5.814 7.501 -13.537 1.00 0.00 H new ATOM 0 HA SER A 51 7.784 5.278 -13.814 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.096 8.285 -14.190 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.442 7.167 -14.088 1.00 0.00 H new ATOM 0 HG SER A 51 8.776 7.542 -16.293 1.00 0.00 H new ATOM 785 N VAL A 52 8.978 6.029 -11.581 1.00 0.00 N ATOM 786 CA VAL A 52 9.336 6.175 -10.168 1.00 0.00 C ATOM 787 C VAL A 52 9.337 7.652 -9.741 1.00 0.00 C ATOM 788 O VAL A 52 8.853 7.992 -8.662 1.00 0.00 O ATOM 789 CB VAL A 52 10.718 5.531 -9.902 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.367 6.133 -8.640 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.545 4.017 -9.707 1.00 0.00 C ATOM 0 H VAL A 52 9.668 5.534 -12.146 1.00 0.00 H new ATOM 0 HA VAL A 52 8.584 5.659 -9.571 1.00 0.00 H new ATOM 0 HB VAL A 52 11.364 5.729 -10.757 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.337 5.666 -8.472 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.500 7.206 -8.776 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.724 5.953 -7.779 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.517 3.561 -9.519 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.888 3.832 -8.857 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.107 3.582 -10.606 1.00 0.00 H new ATOM 801 N THR A 53 9.908 8.512 -10.573 1.00 0.00 N ATOM 802 CA THR A 53 9.994 9.938 -10.250 1.00 0.00 C ATOM 803 C THR A 53 8.618 10.549 -9.980 1.00 0.00 C ATOM 804 O THR A 53 8.522 11.571 -9.318 1.00 0.00 O ATOM 805 CB THR A 53 10.676 10.690 -11.405 1.00 0.00 C ATOM 806 OG1 THR A 53 12.074 10.452 -11.361 1.00 0.00 O ATOM 807 CG2 THR A 53 10.411 12.197 -11.287 1.00 0.00 C ATOM 0 H THR A 53 10.317 8.255 -11.471 1.00 0.00 H new ATOM 0 HA THR A 53 10.584 10.036 -9.339 1.00 0.00 H new ATOM 0 HB THR A 53 10.270 10.332 -12.351 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.510 10.929 -12.097 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.899 12.718 -12.111 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.338 12.382 -11.326 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.808 12.563 -10.340 1.00 0.00 H new ATOM 815 N ASP A 54 7.569 9.948 -10.500 1.00 0.00 N ATOM 816 CA ASP A 54 6.231 10.486 -10.298 1.00 0.00 C ATOM 817 C ASP A 54 5.740 10.201 -8.884 1.00 0.00 C ATOM 818 O ASP A 54 4.961 10.964 -8.313 1.00 0.00 O ATOM 819 CB ASP A 54 5.269 9.859 -11.299 1.00 0.00 C ATOM 820 CG ASP A 54 3.889 10.497 -11.170 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.191 10.167 -10.226 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.552 11.307 -12.018 1.00 0.00 O ATOM 0 H ASP A 54 7.610 9.096 -11.060 1.00 0.00 H new ATOM 0 HA ASP A 54 6.270 11.565 -10.445 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.647 9.994 -12.312 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.200 8.785 -11.125 1.00 0.00 H new ATOM 827 N LEU A 55 6.169 9.070 -8.348 1.00 0.00 N ATOM 828 CA LEU A 55 5.746 8.643 -7.015 1.00 0.00 C ATOM 829 C LEU A 55 6.212 9.598 -5.916 1.00 0.00 C ATOM 830 O LEU A 55 5.391 10.229 -5.258 1.00 0.00 O ATOM 831 CB LEU A 55 6.286 7.237 -6.706 1.00 0.00 C ATOM 832 CG LEU A 55 5.588 6.184 -7.589 1.00 0.00 C ATOM 833 CD1 LEU A 55 5.863 6.477 -9.063 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.130 4.793 -7.228 1.00 0.00 C ATOM 0 H LEU A 55 6.811 8.427 -8.812 1.00 0.00 H new ATOM 0 HA LEU A 55 4.656 8.640 -7.025 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.362 7.209 -6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.125 7.002 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 55 4.512 6.218 -7.418 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.367 5.729 -9.681 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.482 7.467 -9.315 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.937 6.445 -9.246 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.642 4.040 -7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.206 4.765 -7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.927 4.585 -6.177 1.00 0.00 H new ATOM 846 N LYS A 56 7.523 9.673 -5.698 1.00 0.00 N ATOM 847 CA LYS A 56 8.071 10.523 -4.632 1.00 0.00 C ATOM 848 C LYS A 56 7.609 11.976 -4.721 1.00 0.00 C ATOM 849 O LYS A 56 7.414 12.629 -3.697 1.00 0.00 O ATOM 850 CB LYS A 56 9.596 10.488 -4.665 1.00 0.00 C ATOM 851 CG LYS A 56 10.150 11.327 -3.508 1.00 0.00 C ATOM 852 CD LYS A 56 11.615 10.959 -3.241 1.00 0.00 C ATOM 853 CE LYS A 56 12.400 10.946 -4.555 1.00 0.00 C ATOM 854 NZ LYS A 56 13.859 11.023 -4.263 1.00 0.00 N ATOM 0 H LYS A 56 8.223 9.163 -6.237 1.00 0.00 H new ATOM 0 HA LYS A 56 7.694 10.115 -3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.949 9.460 -4.585 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.959 10.876 -5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.072 12.387 -3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.556 11.159 -2.610 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.058 11.676 -2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.672 9.980 -2.764 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.178 10.037 -5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.098 11.787 -5.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.393 11.014 -5.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.064 11.902 -3.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.141 10.207 -3.683 1.00 0.00 H new ATOM 868 N ILE A 57 7.438 12.482 -5.931 1.00 0.00 N ATOM 869 CA ILE A 57 7.001 13.865 -6.104 1.00 0.00 C ATOM 870 C ILE A 57 5.499 13.957 -5.869 1.00 0.00 C ATOM 871 O ILE A 57 4.963 15.028 -5.594 1.00 0.00 O ATOM 872 CB ILE A 57 7.365 14.362 -7.511 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.486 13.665 -8.559 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.837 14.036 -7.773 1.00 0.00 C ATOM 875 CD1 ILE A 57 6.890 14.101 -9.974 1.00 0.00 C ATOM 0 H ILE A 57 7.591 11.968 -6.799 1.00 0.00 H new ATOM 0 HA ILE A 57 7.509 14.500 -5.378 1.00 0.00 H new ATOM 0 HB ILE A 57 7.200 15.437 -7.578 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.584 12.584 -8.463 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.438 13.907 -8.383 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.115 14.382 -8.769 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.458 14.535 -7.029 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.988 12.959 -7.708 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.257 13.597 -10.705 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.769 15.180 -10.071 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.932 13.836 -10.153 1.00 0.00 H new ATOM 887 N GLY A 58 4.829 12.815 -5.986 1.00 0.00 N ATOM 888 CA GLY A 58 3.387 12.756 -5.796 1.00 0.00 C ATOM 889 C GLY A 58 2.993 13.024 -4.344 1.00 0.00 C ATOM 890 O GLY A 58 1.974 13.664 -4.084 1.00 0.00 O ATOM 0 H GLY A 58 5.262 11.920 -6.211 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.905 13.488 -6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.021 11.774 -6.096 1.00 0.00 H new ATOM 894 N LEU A 59 3.798 12.539 -3.398 1.00 0.00 N ATOM 895 CA LEU A 59 3.495 12.750 -1.984 1.00 0.00 C ATOM 896 C LEU A 59 3.845 14.174 -1.587 1.00 0.00 C ATOM 897 O LEU A 59 3.001 14.901 -1.061 1.00 0.00 O ATOM 898 CB LEU A 59 4.268 11.769 -1.086 1.00 0.00 C ATOM 899 CG LEU A 59 3.911 10.303 -1.412 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.387 10.099 -1.399 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.476 9.903 -2.785 1.00 0.00 C ATOM 0 H LEU A 59 4.649 12.007 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 59 2.428 12.574 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.339 11.921 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.042 11.976 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 59 4.358 9.669 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.157 9.059 -1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.995 10.346 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.927 10.747 -2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.215 8.866 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.054 10.549 -3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.561 10.009 -2.777 1.00 0.00 H new ATOM 913 N ALA A 60 5.079 14.588 -1.855 1.00 0.00 N ATOM 914 CA ALA A 60 5.485 15.944 -1.530 1.00 0.00 C ATOM 915 C ALA A 60 4.764 16.912 -2.452 1.00 0.00 C ATOM 916 O ALA A 60 4.371 18.003 -2.040 1.00 0.00 O ATOM 917 CB ALA A 60 6.997 16.105 -1.695 1.00 0.00 C ATOM 0 H ALA A 60 5.802 14.013 -2.289 1.00 0.00 H new ATOM 0 HA ALA A 60 5.226 16.155 -0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.283 17.127 -1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.511 15.413 -1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.275 15.890 -2.727 1.00 0.00 H new ATOM 923 N GLY A 61 4.584 16.494 -3.709 1.00 0.00 N ATOM 924 CA GLY A 61 3.892 17.326 -4.698 1.00 0.00 C ATOM 925 C GLY A 61 4.788 17.614 -5.894 1.00 0.00 C ATOM 926 O GLY A 61 4.402 17.377 -7.039 1.00 0.00 O ATOM 0 H GLY A 61 4.905 15.593 -4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.985 16.821 -5.032 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.583 18.264 -4.237 1.00 0.00 H new ATOM 930 N SER A 62 5.988 18.131 -5.629 1.00 0.00 N ATOM 931 CA SER A 62 6.930 18.451 -6.701 1.00 0.00 C ATOM 932 C SER A 62 8.348 18.059 -6.313 1.00 0.00 C ATOM 933 O SER A 62 8.702 18.049 -5.133 1.00 0.00 O ATOM 934 CB SER A 62 6.883 19.948 -7.006 1.00 0.00 C ATOM 935 OG SER A 62 5.528 20.377 -7.047 1.00 0.00 O ATOM 0 H SER A 62 6.328 18.336 -4.690 1.00 0.00 H new ATOM 0 HA SER A 62 6.641 17.886 -7.587 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.429 20.503 -6.244 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.370 20.152 -7.960 1.00 0.00 H new ATOM 0 HG SER A 62 5.495 21.337 -7.241 1.00 0.00 H new ATOM 941 N GLU A 63 9.154 17.729 -7.316 1.00 0.00 N ATOM 942 CA GLU A 63 10.537 17.331 -7.094 1.00 0.00 C ATOM 943 C GLU A 63 11.340 18.439 -6.413 1.00 0.00 C ATOM 944 O GLU A 63 12.567 18.468 -6.502 1.00 0.00 O ATOM 945 CB GLU A 63 11.195 16.971 -8.429 1.00 0.00 C ATOM 946 CG GLU A 63 11.014 18.124 -9.421 1.00 0.00 C ATOM 947 CD GLU A 63 11.899 17.904 -10.643 1.00 0.00 C ATOM 948 OE1 GLU A 63 12.611 16.913 -10.665 1.00 0.00 O ATOM 949 OE2 GLU A 63 11.853 18.730 -11.540 1.00 0.00 O ATOM 0 H GLU A 63 8.870 17.730 -8.296 1.00 0.00 H new ATOM 0 HA GLU A 63 10.531 16.463 -6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.256 16.770 -8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.751 16.060 -8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.970 18.192 -9.726 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.269 19.070 -8.943 1.00 0.00 H new ATOM 956 N GLU A 64 10.647 19.350 -5.729 1.00 0.00 N ATOM 957 CA GLU A 64 11.302 20.451 -5.035 1.00 0.00 C ATOM 958 C GLU A 64 11.501 20.114 -3.559 1.00 0.00 C ATOM 959 O GLU A 64 12.628 20.107 -3.062 1.00 0.00 O ATOM 960 CB GLU A 64 10.450 21.718 -5.149 1.00 0.00 C ATOM 961 CG GLU A 64 10.132 22.004 -6.620 1.00 0.00 C ATOM 962 CD GLU A 64 9.062 23.087 -6.719 1.00 0.00 C ATOM 963 OE1 GLU A 64 9.387 24.237 -6.478 1.00 0.00 O ATOM 964 OE2 GLU A 64 7.933 22.747 -7.034 1.00 0.00 O ATOM 0 H GLU A 64 9.631 19.344 -5.643 1.00 0.00 H new ATOM 0 HA GLU A 64 12.275 20.616 -5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.525 21.596 -4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.981 22.564 -4.712 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.035 22.324 -7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.787 21.094 -7.110 1.00 0.00 H new ATOM 971 N ASP A 65 10.396 19.869 -2.850 1.00 0.00 N ATOM 972 CA ASP A 65 10.457 19.573 -1.418 1.00 0.00 C ATOM 973 C ASP A 65 10.762 18.100 -1.135 1.00 0.00 C ATOM 974 O ASP A 65 11.075 17.742 0.001 1.00 0.00 O ATOM 975 CB ASP A 65 9.113 19.955 -0.764 1.00 0.00 C ATOM 976 CG ASP A 65 9.321 20.384 0.688 1.00 0.00 C ATOM 977 OD1 ASP A 65 9.745 21.509 0.897 1.00 0.00 O ATOM 978 OD2 ASP A 65 9.055 19.581 1.568 1.00 0.00 O ATOM 0 H ASP A 65 9.454 19.870 -3.242 1.00 0.00 H new ATOM 0 HA ASP A 65 11.273 20.159 -0.995 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.648 20.766 -1.325 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.430 19.107 -0.803 1.00 0.00 H new ATOM 983 N VAL A 66 10.668 17.243 -2.146 1.00 0.00 N ATOM 984 CA VAL A 66 10.939 15.824 -1.930 1.00 0.00 C ATOM 985 C VAL A 66 12.237 15.644 -1.149 1.00 0.00 C ATOM 986 O VAL A 66 12.437 14.629 -0.481 1.00 0.00 O ATOM 987 CB VAL A 66 11.036 15.079 -3.259 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.647 14.945 -3.880 1.00 0.00 C ATOM 989 CG2 VAL A 66 11.933 15.848 -4.220 1.00 0.00 C ATOM 0 H VAL A 66 10.413 17.495 -3.101 1.00 0.00 H new ATOM 0 HA VAL A 66 10.111 15.409 -1.355 1.00 0.00 H new ATOM 0 HB VAL A 66 11.456 14.090 -3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.722 14.413 -4.828 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.998 14.390 -3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.229 15.937 -4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.998 15.311 -5.166 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.515 16.839 -4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.929 15.945 -3.789 1.00 0.00 H new ATOM 999 N ASP A 67 13.112 16.640 -1.234 1.00 0.00 N ATOM 1000 CA ASP A 67 14.384 16.586 -0.526 1.00 0.00 C ATOM 1001 C ASP A 67 14.150 16.442 0.975 1.00 0.00 C ATOM 1002 O ASP A 67 14.915 15.776 1.673 1.00 0.00 O ATOM 1003 CB ASP A 67 15.190 17.858 -0.798 1.00 0.00 C ATOM 1004 CG ASP A 67 16.475 17.844 0.020 1.00 0.00 C ATOM 1005 OD1 ASP A 67 16.936 16.761 0.344 1.00 0.00 O ATOM 1006 OD2 ASP A 67 16.980 18.916 0.312 1.00 0.00 O ATOM 0 H ASP A 67 12.965 17.488 -1.782 1.00 0.00 H new ATOM 0 HA ASP A 67 14.943 15.721 -0.884 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.426 17.929 -1.860 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.596 18.736 -0.544 1.00 0.00 H new ATOM 1011 N MET A 68 13.086 17.074 1.463 1.00 0.00 N ATOM 1012 CA MET A 68 12.753 17.015 2.885 1.00 0.00 C ATOM 1013 C MET A 68 11.936 15.764 3.195 1.00 0.00 C ATOM 1014 O MET A 68 12.058 15.187 4.275 1.00 0.00 O ATOM 1015 CB MET A 68 11.957 18.259 3.286 1.00 0.00 C ATOM 1016 CG MET A 68 12.813 19.508 3.066 1.00 0.00 C ATOM 1017 SD MET A 68 14.145 19.549 4.292 1.00 0.00 S ATOM 1018 CE MET A 68 14.952 21.058 3.704 1.00 0.00 C ATOM 0 H MET A 68 12.443 17.630 0.900 1.00 0.00 H new ATOM 0 HA MET A 68 13.682 16.977 3.455 1.00 0.00 H new ATOM 0 HB2 MET A 68 11.043 18.324 2.696 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.658 18.190 4.332 1.00 0.00 H new ATOM 0 HG2 MET A 68 13.231 19.503 2.059 1.00 0.00 H new ATOM 0 HG3 MET A 68 12.198 20.404 3.151 1.00 0.00 H new ATOM 0 HE1 MET A 68 15.818 21.275 4.330 1.00 0.00 H new ATOM 0 HE2 MET A 68 15.276 20.919 2.672 1.00 0.00 H new ATOM 0 HE3 MET A 68 14.249 21.890 3.755 1.00 0.00 H new ATOM 1028 N LEU A 69 11.104 15.348 2.244 1.00 0.00 N ATOM 1029 CA LEU A 69 10.277 14.163 2.439 1.00 0.00 C ATOM 1030 C LEU A 69 11.134 12.998 2.930 1.00 0.00 C ATOM 1031 O LEU A 69 12.104 12.610 2.278 1.00 0.00 O ATOM 1032 CB LEU A 69 9.585 13.786 1.126 1.00 0.00 C ATOM 1033 CG LEU A 69 8.446 12.784 1.394 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.294 13.459 2.170 1.00 0.00 C ATOM 1035 CD2 LEU A 69 7.922 12.253 0.051 1.00 0.00 C ATOM 0 H LEU A 69 10.986 15.808 1.341 1.00 0.00 H new ATOM 0 HA LEU A 69 9.518 14.383 3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.187 14.680 0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.308 13.350 0.437 1.00 0.00 H new ATOM 0 HG LEU A 69 8.831 11.963 1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.501 12.733 2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.667 13.831 3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.900 14.291 1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.115 11.543 0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.548 13.084 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.731 11.756 -0.484 1.00 0.00 H new ATOM 1047 N ASP A 70 10.778 12.459 4.091 1.00 0.00 N ATOM 1048 CA ASP A 70 11.527 11.351 4.679 1.00 0.00 C ATOM 1049 C ASP A 70 11.628 10.167 3.720 1.00 0.00 C ATOM 1050 O ASP A 70 12.562 9.374 3.812 1.00 0.00 O ATOM 1051 CB ASP A 70 10.854 10.895 5.974 1.00 0.00 C ATOM 1052 CG ASP A 70 11.776 9.944 6.732 1.00 0.00 C ATOM 1053 OD1 ASP A 70 12.980 10.123 6.642 1.00 0.00 O ATOM 1054 OD2 ASP A 70 11.265 9.053 7.388 1.00 0.00 O ATOM 0 H ASP A 70 9.978 12.769 4.643 1.00 0.00 H new ATOM 0 HA ASP A 70 12.535 11.709 4.888 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.618 11.759 6.595 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.911 10.398 5.748 1.00 0.00 H new ATOM 1059 N THR A 71 10.674 10.054 2.800 1.00 0.00 N ATOM 1060 CA THR A 71 10.689 8.955 1.836 1.00 0.00 C ATOM 1061 C THR A 71 12.069 8.851 1.171 1.00 0.00 C ATOM 1062 O THR A 71 12.418 9.714 0.365 1.00 0.00 O ATOM 1063 CB THR A 71 9.638 9.195 0.751 1.00 0.00 C ATOM 1064 OG1 THR A 71 8.382 9.469 1.357 1.00 0.00 O ATOM 1065 CG2 THR A 71 9.523 7.948 -0.130 1.00 0.00 C ATOM 0 H THR A 71 9.891 10.699 2.701 1.00 0.00 H new ATOM 0 HA THR A 71 10.467 8.030 2.368 1.00 0.00 H new ATOM 0 HB THR A 71 9.935 10.046 0.138 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.743 8.766 1.117 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.774 8.117 -0.904 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.486 7.742 -0.596 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.226 7.096 0.482 1.00 0.00 H new ATOM 1073 N PRO A 72 12.868 7.841 1.469 1.00 0.00 N ATOM 1074 CA PRO A 72 14.217 7.703 0.838 1.00 0.00 C ATOM 1075 C PRO A 72 14.144 7.713 -0.691 1.00 0.00 C ATOM 1076 O PRO A 72 13.211 8.255 -1.281 1.00 0.00 O ATOM 1077 CB PRO A 72 14.742 6.349 1.353 1.00 0.00 C ATOM 1078 CG PRO A 72 13.965 6.067 2.599 1.00 0.00 C ATOM 1079 CD PRO A 72 12.600 6.737 2.418 1.00 0.00 C ATOM 0 HA PRO A 72 14.868 8.537 1.098 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.594 5.563 0.612 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.811 6.395 1.559 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.853 4.994 2.753 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.479 6.463 3.475 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.862 6.040 2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.209 7.110 3.365 1.00 0.00 H new ATOM 1087 N MET A 73 15.138 7.092 -1.319 1.00 0.00 N ATOM 1088 CA MET A 73 15.204 7.003 -2.778 1.00 0.00 C ATOM 1089 C MET A 73 15.093 5.551 -3.204 1.00 0.00 C ATOM 1090 O MET A 73 14.736 5.243 -4.341 1.00 0.00 O ATOM 1091 CB MET A 73 16.536 7.566 -3.271 1.00 0.00 C ATOM 1092 CG MET A 73 17.680 6.672 -2.785 1.00 0.00 C ATOM 1093 SD MET A 73 19.261 7.521 -3.037 1.00 0.00 S ATOM 1094 CE MET A 73 19.651 6.813 -4.658 1.00 0.00 C ATOM 0 H MET A 73 15.915 6.639 -0.838 1.00 0.00 H new ATOM 0 HA MET A 73 14.383 7.578 -3.207 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.540 7.620 -4.360 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.672 8.582 -2.901 1.00 0.00 H new ATOM 0 HG2 MET A 73 17.547 6.435 -1.729 1.00 0.00 H new ATOM 0 HG3 MET A 73 17.672 5.727 -3.328 1.00 0.00 H new ATOM 0 HE1 MET A 73 20.605 7.209 -5.008 1.00 0.00 H new ATOM 0 HE2 MET A 73 19.717 5.728 -4.575 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.867 7.076 -5.368 1.00 0.00 H new ATOM 1104 N SER A 74 15.394 4.664 -2.268 1.00 0.00 N ATOM 1105 CA SER A 74 15.322 3.232 -2.518 1.00 0.00 C ATOM 1106 C SER A 74 13.931 2.723 -2.166 1.00 0.00 C ATOM 1107 O SER A 74 13.513 1.658 -2.621 1.00 0.00 O ATOM 1108 CB SER A 74 16.362 2.503 -1.666 1.00 0.00 C ATOM 1109 OG SER A 74 17.664 2.903 -2.071 1.00 0.00 O ATOM 0 H SER A 74 15.692 4.912 -1.324 1.00 0.00 H new ATOM 0 HA SER A 74 15.524 3.042 -3.572 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.210 2.732 -0.611 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.249 1.425 -1.777 1.00 0.00 H new ATOM 0 HG SER A 74 18.333 2.439 -1.526 1.00 0.00 H new ATOM 1115 N ALA A 75 13.214 3.497 -1.352 1.00 0.00 N ATOM 1116 CA ALA A 75 11.871 3.123 -0.945 1.00 0.00 C ATOM 1117 C ALA A 75 10.942 3.105 -2.151 1.00 0.00 C ATOM 1118 O ALA A 75 10.032 2.283 -2.235 1.00 0.00 O ATOM 1119 CB ALA A 75 11.356 4.112 0.098 1.00 0.00 C ATOM 0 H ALA A 75 13.544 4.382 -0.966 1.00 0.00 H new ATOM 0 HA ALA A 75 11.896 2.124 -0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.348 3.829 0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.014 4.100 0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.338 5.115 -0.329 1.00 0.00 H new ATOM 1125 N LEU A 76 11.173 4.017 -3.090 1.00 0.00 N ATOM 1126 CA LEU A 76 10.338 4.064 -4.280 1.00 0.00 C ATOM 1127 C LEU A 76 10.567 2.804 -5.097 1.00 0.00 C ATOM 1128 O LEU A 76 9.622 2.111 -5.476 1.00 0.00 O ATOM 1129 CB LEU A 76 10.665 5.275 -5.154 1.00 0.00 C ATOM 1130 CG LEU A 76 10.614 6.584 -4.349 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.300 6.676 -3.570 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.804 6.692 -3.379 1.00 0.00 C ATOM 0 H LEU A 76 11.914 4.717 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 76 9.300 4.141 -3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.657 5.153 -5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.958 5.328 -5.982 1.00 0.00 H new ATOM 0 HG LEU A 76 10.674 7.412 -5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.277 7.607 -3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.462 6.653 -4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.224 5.833 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.738 7.629 -2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.781 5.855 -2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.736 6.669 -3.943 1.00 0.00 H new ATOM 1144 N LYS A 77 11.836 2.511 -5.355 1.00 0.00 N ATOM 1145 CA LYS A 77 12.190 1.326 -6.117 1.00 0.00 C ATOM 1146 C LYS A 77 11.594 0.099 -5.429 1.00 0.00 C ATOM 1147 O LYS A 77 11.227 -0.877 -6.084 1.00 0.00 O ATOM 1148 CB LYS A 77 13.729 1.204 -6.223 1.00 0.00 C ATOM 1149 CG LYS A 77 14.240 1.826 -7.541 1.00 0.00 C ATOM 1150 CD LYS A 77 14.035 3.355 -7.541 1.00 0.00 C ATOM 1151 CE LYS A 77 15.227 4.054 -6.872 1.00 0.00 C ATOM 1152 NZ LYS A 77 16.414 3.974 -7.768 1.00 0.00 N ATOM 0 H LYS A 77 12.629 3.074 -5.049 1.00 0.00 H new ATOM 0 HA LYS A 77 11.788 1.400 -7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.197 1.703 -5.375 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.019 0.154 -6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.298 1.596 -7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.712 1.384 -8.386 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.922 3.713 -8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 77 13.115 3.605 -7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.983 5.096 -6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.448 3.583 -5.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.071 4.749 -7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.894 3.062 -7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 16.107 4.055 -8.758 1.00 0.00 H new ATOM 1166 N ASP A 78 11.495 0.164 -4.104 1.00 0.00 N ATOM 1167 CA ASP A 78 10.934 -0.935 -3.336 1.00 0.00 C ATOM 1168 C ASP A 78 9.431 -1.020 -3.579 1.00 0.00 C ATOM 1169 O ASP A 78 8.919 -2.057 -3.998 1.00 0.00 O ATOM 1170 CB ASP A 78 11.216 -0.722 -1.842 1.00 0.00 C ATOM 1171 CG ASP A 78 12.663 -1.092 -1.523 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.488 -0.997 -2.417 1.00 0.00 O ATOM 1173 OD2 ASP A 78 12.923 -1.465 -0.391 1.00 0.00 O ATOM 0 H ASP A 78 11.795 0.963 -3.546 1.00 0.00 H new ATOM 0 HA ASP A 78 11.397 -1.869 -3.654 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.031 0.318 -1.574 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.537 -1.331 -1.245 1.00 0.00 H new ATOM 1178 N ALA A 79 8.728 0.076 -3.309 1.00 0.00 N ATOM 1179 CA ALA A 79 7.283 0.115 -3.494 1.00 0.00 C ATOM 1180 C ALA A 79 6.903 -0.043 -4.970 1.00 0.00 C ATOM 1181 O ALA A 79 6.195 -0.985 -5.325 1.00 0.00 O ATOM 1182 CB ALA A 79 6.727 1.437 -2.953 1.00 0.00 C ATOM 0 H ALA A 79 9.134 0.945 -2.963 1.00 0.00 H new ATOM 0 HA ALA A 79 6.849 -0.720 -2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.646 1.462 -3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.957 1.521 -1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.182 2.270 -3.490 1.00 0.00 H new ATOM 1188 N VAL A 80 7.352 0.894 -5.818 1.00 0.00 N ATOM 1189 CA VAL A 80 7.030 0.855 -7.253 1.00 0.00 C ATOM 1190 C VAL A 80 6.984 -0.581 -7.770 1.00 0.00 C ATOM 1191 O VAL A 80 6.294 -0.887 -8.739 1.00 0.00 O ATOM 1192 CB VAL A 80 8.046 1.674 -8.057 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.310 0.853 -8.320 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.428 2.080 -9.400 1.00 0.00 C ATOM 0 H VAL A 80 7.935 1.683 -5.538 1.00 0.00 H new ATOM 0 HA VAL A 80 6.042 1.296 -7.383 1.00 0.00 H new ATOM 0 HB VAL A 80 8.310 2.561 -7.481 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.020 1.451 -8.892 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.761 0.565 -7.370 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.051 -0.042 -8.885 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.150 2.662 -9.972 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.157 1.186 -9.961 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.536 2.681 -9.223 1.00 0.00 H new ATOM 1204 N ARG A 81 7.721 -1.451 -7.099 1.00 0.00 N ATOM 1205 CA ARG A 81 7.762 -2.856 -7.476 1.00 0.00 C ATOM 1206 C ARG A 81 6.512 -3.547 -6.957 1.00 0.00 C ATOM 1207 O ARG A 81 5.790 -4.216 -7.696 1.00 0.00 O ATOM 1208 CB ARG A 81 8.998 -3.529 -6.872 1.00 0.00 C ATOM 1209 CG ARG A 81 9.159 -4.937 -7.463 1.00 0.00 C ATOM 1210 CD ARG A 81 10.164 -5.748 -6.635 1.00 0.00 C ATOM 1211 NE ARG A 81 11.529 -5.322 -6.937 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.562 -6.148 -6.788 1.00 0.00 C ATOM 1213 NH1 ARG A 81 12.371 -7.372 -6.377 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.772 -5.734 -7.054 1.00 0.00 N ATOM 0 H ARG A 81 8.298 -1.211 -6.293 1.00 0.00 H new ATOM 0 HA ARG A 81 7.810 -2.934 -8.562 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.887 -2.933 -7.079 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.899 -3.588 -5.788 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.195 -5.445 -7.478 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.499 -4.869 -8.496 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.961 -5.616 -5.572 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.051 -6.810 -6.851 1.00 0.00 H new ATOM 0 HE ARG A 81 11.694 -4.372 -7.269 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.427 -7.699 -6.169 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.165 -8.002 -6.264 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.925 -4.778 -7.376 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.564 -6.367 -6.940 1.00 0.00 H new ATOM 1228 N ILE A 82 6.294 -3.387 -5.663 1.00 0.00 N ATOM 1229 CA ILE A 82 5.164 -3.999 -4.992 1.00 0.00 C ATOM 1230 C ILE A 82 3.837 -3.726 -5.724 1.00 0.00 C ATOM 1231 O ILE A 82 3.036 -4.646 -5.890 1.00 0.00 O ATOM 1232 CB ILE A 82 5.116 -3.508 -3.536 1.00 0.00 C ATOM 1233 CG1 ILE A 82 6.203 -4.230 -2.724 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.747 -3.804 -2.922 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.347 -3.574 -1.349 1.00 0.00 C ATOM 0 H ILE A 82 6.893 -2.832 -5.052 1.00 0.00 H new ATOM 0 HA ILE A 82 5.298 -5.081 -5.002 1.00 0.00 H new ATOM 0 HB ILE A 82 5.288 -2.432 -3.517 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.945 -5.283 -2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.153 -4.191 -3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.727 -3.451 -1.891 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.973 -3.294 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.564 -4.878 -2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.119 -4.090 -0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.626 -2.528 -1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.399 -3.636 -0.815 1.00 0.00 H new ATOM 1247 N LEU A 83 3.586 -2.487 -6.168 1.00 0.00 N ATOM 1248 CA LEU A 83 2.325 -2.215 -6.872 1.00 0.00 C ATOM 1249 C LEU A 83 2.406 -2.756 -8.297 1.00 0.00 C ATOM 1250 O LEU A 83 1.413 -3.239 -8.841 1.00 0.00 O ATOM 1251 CB LEU A 83 1.936 -0.703 -6.925 1.00 0.00 C ATOM 1252 CG LEU A 83 2.613 0.137 -5.821 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.698 -0.613 -4.481 1.00 0.00 C ATOM 1254 CD2 LEU A 83 3.991 0.567 -6.287 1.00 0.00 C ATOM 0 H LEU A 83 4.210 -1.687 -6.059 1.00 0.00 H new ATOM 0 HA LEU A 83 1.547 -2.718 -6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.209 -0.298 -7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.854 -0.609 -6.832 1.00 0.00 H new ATOM 0 HG LEU A 83 1.995 1.017 -5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.182 0.022 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.694 -0.867 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.278 -1.526 -4.611 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.470 1.160 -5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.596 -0.315 -6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.898 1.165 -7.193 1.00 0.00 H new ATOM 1266 N TRP A 84 3.591 -2.671 -8.897 1.00 0.00 N ATOM 1267 CA TRP A 84 3.770 -3.161 -10.267 1.00 0.00 C ATOM 1268 C TRP A 84 3.118 -4.539 -10.427 1.00 0.00 C ATOM 1269 O TRP A 84 2.706 -4.917 -11.523 1.00 0.00 O ATOM 1270 CB TRP A 84 5.284 -3.246 -10.593 1.00 0.00 C ATOM 1271 CG TRP A 84 5.659 -2.318 -11.712 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.284 -2.697 -12.850 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.463 -0.877 -11.813 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.484 -1.583 -13.642 1.00 0.00 N ATOM 1275 CE2 TRP A 84 5.998 -0.437 -13.048 1.00 0.00 C ATOM 1276 CE3 TRP A 84 4.881 0.081 -10.964 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 5.958 0.905 -13.425 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 4.839 1.434 -11.342 1.00 0.00 C ATOM 1279 CH2 TRP A 84 5.377 1.843 -12.569 1.00 0.00 C ATOM 0 H TRP A 84 4.428 -2.276 -8.469 1.00 0.00 H new ATOM 0 HA TRP A 84 3.291 -2.469 -10.960 1.00 0.00 H new ATOM 0 HB2 TRP A 84 5.863 -2.998 -9.704 1.00 0.00 H new ATOM 0 HB3 TRP A 84 5.542 -4.269 -10.866 1.00 0.00 H new ATOM 0 HD1 TRP A 84 6.579 -3.706 -13.099 1.00 0.00 H new ATOM 0 HE1 TRP A 84 6.937 -1.605 -14.556 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.464 -0.225 -10.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.373 1.217 -14.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 4.390 2.162 -10.683 1.00 0.00 H new ATOM 0 HH2 TRP A 84 5.342 2.884 -12.853 1.00 0.00 H new ATOM 1290 N GLY A 85 3.047 -5.286 -9.327 1.00 0.00 N ATOM 1291 CA GLY A 85 2.464 -6.627 -9.349 1.00 0.00 C ATOM 1292 C GLY A 85 3.561 -7.673 -9.499 1.00 0.00 C ATOM 1293 O GLY A 85 3.291 -8.839 -9.786 1.00 0.00 O ATOM 0 H GLY A 85 3.385 -4.987 -8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.905 -6.804 -8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.756 -6.711 -10.174 1.00 0.00 H new ATOM 1297 N GLU A 86 4.805 -7.238 -9.297 1.00 0.00 N ATOM 1298 CA GLU A 86 5.965 -8.126 -9.404 1.00 0.00 C ATOM 1299 C GLU A 86 6.507 -8.448 -8.014 1.00 0.00 C ATOM 1300 O GLU A 86 7.453 -9.223 -7.870 1.00 0.00 O ATOM 1301 CB GLU A 86 7.055 -7.447 -10.244 1.00 0.00 C ATOM 1302 CG GLU A 86 8.056 -8.490 -10.749 1.00 0.00 C ATOM 1303 CD GLU A 86 9.083 -7.827 -11.661 1.00 0.00 C ATOM 1304 OE1 GLU A 86 10.086 -7.360 -11.148 1.00 0.00 O ATOM 1305 OE2 GLU A 86 8.851 -7.797 -12.858 1.00 0.00 O ATOM 0 H GLU A 86 5.036 -6.274 -9.058 1.00 0.00 H new ATOM 0 HA GLU A 86 5.662 -9.055 -9.888 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.603 -6.927 -11.088 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.571 -6.696 -9.646 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.558 -8.963 -9.905 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.532 -9.278 -11.290 1.00 0.00 H new ATOM 1312 N ALA A 87 5.895 -7.841 -6.997 1.00 0.00 N ATOM 1313 CA ALA A 87 6.302 -8.049 -5.605 1.00 0.00 C ATOM 1314 C ALA A 87 6.808 -9.478 -5.378 1.00 0.00 C ATOM 1315 O ALA A 87 7.720 -9.705 -4.584 1.00 0.00 O ATOM 1316 CB ALA A 87 5.105 -7.759 -4.678 1.00 0.00 C ATOM 0 H ALA A 87 5.112 -7.198 -7.111 1.00 0.00 H new ATOM 0 HA ALA A 87 7.122 -7.367 -5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.403 -7.912 -3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.781 -6.727 -4.814 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.284 -8.432 -4.923 1.00 0.00 H new ATOM 1322 N GLU A 88 6.209 -10.431 -6.084 1.00 0.00 N ATOM 1323 CA GLU A 88 6.604 -11.829 -5.953 1.00 0.00 C ATOM 1324 C GLU A 88 8.125 -11.960 -5.973 1.00 0.00 C ATOM 1325 O GLU A 88 8.712 -12.634 -5.128 1.00 0.00 O ATOM 1326 CB GLU A 88 6.002 -12.650 -7.095 1.00 0.00 C ATOM 1327 CG GLU A 88 4.476 -12.620 -6.993 1.00 0.00 C ATOM 1328 CD GLU A 88 4.020 -13.394 -5.761 1.00 0.00 C ATOM 1329 OE1 GLU A 88 4.431 -14.533 -5.616 1.00 0.00 O ATOM 1330 OE2 GLU A 88 3.264 -12.837 -4.982 1.00 0.00 O ATOM 0 H GLU A 88 5.453 -10.263 -6.748 1.00 0.00 H new ATOM 0 HA GLU A 88 6.232 -12.206 -5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.321 -12.246 -8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.361 -13.678 -7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.128 -11.589 -6.934 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.035 -13.055 -7.890 1.00 0.00 H new ATOM 1337 N VAL A 89 8.755 -11.306 -6.944 1.00 0.00 N ATOM 1338 CA VAL A 89 10.208 -11.353 -7.066 1.00 0.00 C ATOM 1339 C VAL A 89 10.872 -10.770 -5.823 1.00 0.00 C ATOM 1340 O VAL A 89 11.086 -9.560 -5.733 1.00 0.00 O ATOM 1341 CB VAL A 89 10.651 -10.563 -8.298 1.00 0.00 C ATOM 1342 CG1 VAL A 89 12.178 -10.543 -8.371 1.00 0.00 C ATOM 1343 CG2 VAL A 89 10.092 -11.228 -9.559 1.00 0.00 C ATOM 0 H VAL A 89 8.287 -10.741 -7.653 1.00 0.00 H new ATOM 0 HA VAL A 89 10.511 -12.395 -7.170 1.00 0.00 H new ATOM 0 HB VAL A 89 10.276 -9.542 -8.227 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.493 -9.980 -9.249 1.00 0.00 H new ATOM 0 HG12 VAL A 89 12.579 -10.071 -7.474 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.552 -11.564 -8.442 1.00 0.00 H new ATOM 0 HG21 VAL A 89 10.408 -10.665 -10.438 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.467 -12.249 -9.628 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.003 -11.244 -9.510 1.00 0.00 H new ATOM 1353 N ASP A 90 11.204 -11.635 -4.869 1.00 0.00 N ATOM 1354 CA ASP A 90 11.852 -11.190 -3.638 1.00 0.00 C ATOM 1355 C ASP A 90 13.354 -11.038 -3.852 1.00 0.00 C ATOM 1356 O ASP A 90 14.003 -11.920 -4.414 1.00 0.00 O ATOM 1357 CB ASP A 90 11.592 -12.197 -2.515 1.00 0.00 C ATOM 1358 CG ASP A 90 10.093 -12.417 -2.346 1.00 0.00 C ATOM 1359 OD1 ASP A 90 9.333 -11.654 -2.920 1.00 0.00 O ATOM 1360 OD2 ASP A 90 9.726 -13.345 -1.645 1.00 0.00 O ATOM 0 H ASP A 90 11.037 -12.640 -4.923 1.00 0.00 H new ATOM 0 HA ASP A 90 11.435 -10.222 -3.358 1.00 0.00 H new ATOM 0 HB2 ASP A 90 12.083 -13.143 -2.743 1.00 0.00 H new ATOM 0 HB3 ASP A 90 12.021 -11.832 -1.582 1.00 0.00 H new ATOM 1365 N SER A 91 13.898 -9.911 -3.403 1.00 0.00 N ATOM 1366 CA SER A 91 15.326 -9.649 -3.553 1.00 0.00 C ATOM 1367 C SER A 91 16.152 -10.683 -2.796 1.00 0.00 C ATOM 1368 O SER A 91 15.611 -11.506 -2.058 1.00 0.00 O ATOM 1369 CB SER A 91 15.658 -8.251 -3.030 1.00 0.00 C ATOM 1370 OG SER A 91 15.332 -8.179 -1.648 1.00 0.00 O ATOM 0 H SER A 91 13.377 -9.169 -2.936 1.00 0.00 H new ATOM 0 HA SER A 91 15.573 -9.713 -4.613 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.716 -8.036 -3.178 1.00 0.00 H new ATOM 0 HB3 SER A 91 15.099 -7.499 -3.587 1.00 0.00 H new ATOM 0 HG SER A 91 15.545 -7.285 -1.308 1.00 0.00 H new ATOM 1376 N LEU A 92 17.466 -10.632 -2.988 1.00 0.00 N ATOM 1377 CA LEU A 92 18.369 -11.567 -2.324 1.00 0.00 C ATOM 1378 C LEU A 92 18.670 -11.080 -0.901 1.00 0.00 C ATOM 1379 O LEU A 92 18.658 -9.876 -0.645 1.00 0.00 O ATOM 1380 CB LEU A 92 19.680 -11.672 -3.118 1.00 0.00 C ATOM 1381 CG LEU A 92 19.474 -12.469 -4.421 1.00 0.00 C ATOM 1382 CD1 LEU A 92 19.177 -13.949 -4.118 1.00 0.00 C ATOM 1383 CD2 LEU A 92 18.316 -11.864 -5.226 1.00 0.00 C ATOM 0 H LEU A 92 17.929 -9.956 -3.596 1.00 0.00 H new ATOM 0 HA LEU A 92 17.894 -12.547 -2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 92 20.048 -10.673 -3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 92 20.441 -12.157 -2.507 1.00 0.00 H new ATOM 0 HG LEU A 92 20.392 -12.413 -5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 92 19.035 -14.491 -5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 92 20.013 -14.383 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 92 18.272 -14.022 -3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 92 18.176 -12.432 -6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 92 17.402 -11.902 -4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 92 18.546 -10.827 -5.472 1.00 0.00 H new ATOM 1395 N PRO A 93 18.937 -11.974 0.026 1.00 0.00 N ATOM 1396 CA PRO A 93 19.243 -11.592 1.439 1.00 0.00 C ATOM 1397 C PRO A 93 20.617 -10.933 1.563 1.00 0.00 C ATOM 1398 O PRO A 93 21.639 -11.543 1.245 1.00 0.00 O ATOM 1399 CB PRO A 93 19.191 -12.929 2.194 1.00 0.00 C ATOM 1400 CG PRO A 93 19.539 -13.959 1.169 1.00 0.00 C ATOM 1401 CD PRO A 93 18.981 -13.439 -0.159 1.00 0.00 C ATOM 0 HA PRO A 93 18.543 -10.856 1.834 1.00 0.00 H new ATOM 0 HB2 PRO A 93 19.897 -12.942 3.024 1.00 0.00 H new ATOM 0 HB3 PRO A 93 18.201 -13.108 2.615 1.00 0.00 H new ATOM 0 HG2 PRO A 93 20.618 -14.101 1.110 1.00 0.00 H new ATOM 0 HG3 PRO A 93 19.104 -14.925 1.423 1.00 0.00 H new ATOM 0 HD2 PRO A 93 19.620 -13.717 -0.997 1.00 0.00 H new ATOM 0 HD3 PRO A 93 17.991 -13.846 -0.364 1.00 0.00 H new ATOM 1409 N GLN A 94 20.633 -9.687 2.025 1.00 0.00 N ATOM 1410 CA GLN A 94 21.888 -8.959 2.182 1.00 0.00 C ATOM 1411 C GLN A 94 22.766 -9.638 3.239 1.00 0.00 C ATOM 1412 O GLN A 94 22.247 -10.217 4.193 1.00 0.00 O ATOM 1413 CB GLN A 94 21.598 -7.515 2.602 1.00 0.00 C ATOM 1414 CG GLN A 94 20.774 -7.512 3.891 1.00 0.00 C ATOM 1415 CD GLN A 94 20.260 -6.105 4.173 1.00 0.00 C ATOM 1416 OE1 GLN A 94 20.671 -5.110 3.435 1.00 0.00 O flip ATOM 1417 NE2 GLN A 94 19.464 -5.906 5.091 1.00 0.00 N flip ATOM 0 H GLN A 94 19.800 -9.164 2.295 1.00 0.00 H new ATOM 0 HA GLN A 94 22.418 -8.960 1.230 1.00 0.00 H new ATOM 0 HB2 GLN A 94 22.533 -6.975 2.754 1.00 0.00 H new ATOM 0 HB3 GLN A 94 21.056 -6.997 1.811 1.00 0.00 H new ATOM 0 HG2 GLN A 94 19.936 -8.203 3.799 1.00 0.00 H new ATOM 0 HG3 GLN A 94 21.385 -7.860 4.724 1.00 0.00 H new ATOM 0 HE21 GLN A 94 19.144 -6.685 5.666 1.00 0.00 H new ATOM 0 HE22 GLN A 94 19.124 -4.962 5.276 1.00 0.00 H new ATOM 1426 N PRO A 95 24.072 -9.585 3.099 1.00 0.00 N ATOM 1427 CA PRO A 95 25.002 -10.221 4.081 1.00 0.00 C ATOM 1428 C PRO A 95 24.970 -9.512 5.436 1.00 0.00 C ATOM 1429 O PRO A 95 25.374 -8.356 5.555 1.00 0.00 O ATOM 1430 CB PRO A 95 26.382 -10.096 3.411 1.00 0.00 C ATOM 1431 CG PRO A 95 26.258 -8.921 2.497 1.00 0.00 C ATOM 1432 CD PRO A 95 24.810 -8.923 2.006 1.00 0.00 C ATOM 0 HA PRO A 95 24.732 -11.254 4.301 1.00 0.00 H new ATOM 0 HB2 PRO A 95 27.168 -9.941 4.150 1.00 0.00 H new ATOM 0 HB3 PRO A 95 26.637 -11.001 2.859 1.00 0.00 H new ATOM 0 HG2 PRO A 95 26.492 -7.993 3.019 1.00 0.00 H new ATOM 0 HG3 PRO A 95 26.954 -9.001 1.662 1.00 0.00 H new ATOM 0 HD2 PRO A 95 24.445 -7.911 1.832 1.00 0.00 H new ATOM 0 HD3 PRO A 95 24.706 -9.466 1.066 1.00 0.00 H new ATOM 1440 N VAL A 96 24.484 -10.219 6.454 1.00 0.00 N ATOM 1441 CA VAL A 96 24.400 -9.655 7.797 1.00 0.00 C ATOM 1442 C VAL A 96 25.746 -9.765 8.508 1.00 0.00 C ATOM 1443 O VAL A 96 26.506 -10.654 8.162 1.00 0.00 O ATOM 1444 CB VAL A 96 23.331 -10.392 8.606 1.00 0.00 C ATOM 1445 CG1 VAL A 96 21.946 -10.036 8.063 1.00 0.00 C ATOM 1446 CG2 VAL A 96 23.551 -11.902 8.489 1.00 0.00 C ATOM 1447 OXT VAL A 96 25.997 -8.957 9.388 1.00 0.00 O ATOM 0 H VAL A 96 24.145 -11.178 6.375 1.00 0.00 H new ATOM 0 HA VAL A 96 24.130 -8.602 7.714 1.00 0.00 H new ATOM 0 HB VAL A 96 23.400 -10.095 9.653 1.00 0.00 H new ATOM 0 HG11 VAL A 96 21.184 -10.561 8.639 1.00 0.00 H new ATOM 0 HG12 VAL A 96 21.788 -8.961 8.146 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.878 -10.333 7.016 1.00 0.00 H new ATOM 0 HG21 VAL A 96 22.789 -12.426 9.066 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.483 -12.200 7.443 1.00 0.00 H new ATOM 0 HG23 VAL A 96 24.538 -12.157 8.875 1.00 0.00 H new TER 1457 VAL A 96