USER MOD reduce.3.24.130724 H: found=0, std=0, add=908, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 907 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 11 LYS NZ :NH3+ -161:sc= 0.653 (180deg=0) USER MOD Set 1.2: A 67 THR OG1 : rot -83:sc= 1.03 USER MOD Set 1.3: A 68 ASN : amide:sc= -0.0637 K(o=1.6,f=0.85) USER MOD Set 2.1: A 37 CYS SG : rot 130:sc= 0.0692 USER MOD Set 2.2: A 40 CYS SG : rot 86:sc= 0.161 USER MOD Set 3.1: A 26 LYS NZ :NH3+ -173:sc= 1.08 (180deg=0.416) USER MOD Set 3.2: A 59 THR OG1 : rot 180:sc= 0.636 USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00352) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.0424 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= 0.815 (180deg=0.719) USER MOD Single : A 7 SER OG : rot -175:sc= 1.08 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 67:sc= 1.04 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.883 K(o=0.88,f=-0.061) USER MOD Single : A 35 THR OG1 : rot -34:sc= 0.0494 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 178:sc= 0 (180deg=-0.0114) USER MOD Single : A 52 THR OG1 : rot 83:sc= 0.95 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= 1.7 (180deg=1.12) USER MOD Single : A 71 THR OG1 : rot 86:sc= 0.372 USER MOD Single : A 74 ASN : amide:sc= 1.14 K(o=1.1,f=-0.53) USER MOD Single : A 76 GLN : amide:sc= 0.754 K(o=0.75,f=-3.7!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 128:sc= 1.11 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 93 LYS NZ :NH3+ -178:sc= 2.39 (180deg=2.32) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 158:sc= 2.41 (180deg=2.06) USER MOD Single : A 109 SER OG : rot 89:sc= 1.17 USER MOD Single : A 114 ASN : amide:sc= 0.527 K(o=0.53,f=-6.6!) USER MOD Single : A 116 ASN : amide:sc= 0.907 K(o=0.91,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.856 -2.705 22.589 1.00 0.00 N ATOM 2 CA MET A 1 0.476 -3.166 23.069 1.00 0.00 C ATOM 3 C MET A 1 1.567 -2.819 22.052 1.00 0.00 C ATOM 4 O MET A 1 1.289 -2.692 20.856 1.00 0.00 O ATOM 5 CB MET A 1 0.502 -4.679 23.381 1.00 0.00 C ATOM 6 CG MET A 1 -0.380 -5.063 24.579 1.00 0.00 C ATOM 7 SD MET A 1 -0.227 -6.790 25.128 1.00 0.00 S ATOM 8 CE MET A 1 -0.991 -7.667 23.734 1.00 0.00 C ATOM 0 H1 MET A 1 -1.170 -1.896 23.162 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.785 -2.417 21.592 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.544 -3.480 22.677 1.00 0.00 H new ATOM 0 HA MET A 1 0.673 -2.639 24.003 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.170 -5.231 22.502 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.529 -4.985 23.581 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.134 -4.409 25.416 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.421 -4.871 24.320 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.004 -8.737 23.940 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.012 -7.312 23.596 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.416 -7.479 22.827 1.00 0.00 H new ATOM 19 N THR A 2 2.815 -2.670 22.507 1.00 0.00 N ATOM 20 CA THR A 2 3.988 -2.391 21.652 1.00 0.00 C ATOM 21 C THR A 2 5.247 -3.139 22.118 1.00 0.00 C ATOM 22 O THR A 2 5.307 -3.641 23.244 1.00 0.00 O ATOM 23 CB THR A 2 4.221 -0.876 21.519 1.00 0.00 C ATOM 24 OG1 THR A 2 5.074 -0.630 20.422 1.00 0.00 O ATOM 25 CG2 THR A 2 4.823 -0.218 22.762 1.00 0.00 C ATOM 0 H THR A 2 3.049 -2.740 23.497 1.00 0.00 H new ATOM 0 HA THR A 2 3.766 -2.778 20.657 1.00 0.00 H new ATOM 0 HB THR A 2 3.235 -0.433 21.377 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.223 0.335 20.333 1.00 0.00 H new ATOM 0 HG21 THR A 2 4.954 0.849 22.582 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.154 -0.363 23.611 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.790 -0.670 22.981 1.00 0.00 H new ATOM 33 N ASP A 3 6.248 -3.239 21.242 1.00 0.00 N ATOM 34 CA ASP A 3 7.513 -3.955 21.452 1.00 0.00 C ATOM 35 C ASP A 3 8.660 -3.300 20.653 1.00 0.00 C ATOM 36 O ASP A 3 8.431 -2.713 19.592 1.00 0.00 O ATOM 37 CB ASP A 3 7.327 -5.426 21.043 1.00 0.00 C ATOM 38 CG ASP A 3 8.602 -6.251 21.271 1.00 0.00 C ATOM 39 OD1 ASP A 3 8.816 -6.733 22.408 1.00 0.00 O ATOM 40 OD2 ASP A 3 9.402 -6.383 20.317 1.00 0.00 O ATOM 0 H ASP A 3 6.199 -2.803 20.321 1.00 0.00 H new ATOM 0 HA ASP A 3 7.785 -3.904 22.506 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.507 -5.860 21.615 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.045 -5.477 19.991 1.00 0.00 H new ATOM 45 N SER A 4 9.901 -3.421 21.135 1.00 0.00 N ATOM 46 CA SER A 4 11.103 -2.831 20.516 1.00 0.00 C ATOM 47 C SER A 4 11.382 -3.297 19.075 1.00 0.00 C ATOM 48 O SER A 4 12.067 -2.592 18.331 1.00 0.00 O ATOM 49 CB SER A 4 12.333 -3.147 21.376 1.00 0.00 C ATOM 50 OG SER A 4 12.136 -2.721 22.719 1.00 0.00 O ATOM 0 H SER A 4 10.108 -3.943 21.986 1.00 0.00 H new ATOM 0 HA SER A 4 10.905 -1.760 20.463 1.00 0.00 H new ATOM 0 HB2 SER A 4 12.531 -4.219 21.355 1.00 0.00 H new ATOM 0 HB3 SER A 4 13.210 -2.653 20.958 1.00 0.00 H new ATOM 0 HG SER A 4 12.932 -2.934 23.250 1.00 0.00 H new ATOM 56 N GLU A 5 10.853 -4.454 18.657 1.00 0.00 N ATOM 57 CA GLU A 5 10.987 -5.011 17.299 1.00 0.00 C ATOM 58 C GLU A 5 9.677 -4.962 16.479 1.00 0.00 C ATOM 59 O GLU A 5 9.609 -5.528 15.382 1.00 0.00 O ATOM 60 CB GLU A 5 11.573 -6.435 17.368 1.00 0.00 C ATOM 61 CG GLU A 5 12.957 -6.496 18.005 1.00 0.00 C ATOM 62 CD GLU A 5 13.570 -7.906 17.895 1.00 0.00 C ATOM 63 OE1 GLU A 5 14.254 -8.199 16.883 1.00 0.00 O ATOM 64 OE2 GLU A 5 13.387 -8.732 18.823 1.00 0.00 O ATOM 0 H GLU A 5 10.301 -5.050 19.273 1.00 0.00 H new ATOM 0 HA GLU A 5 11.682 -4.370 16.756 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.893 -7.071 17.935 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.628 -6.845 16.360 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.614 -5.774 17.520 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.888 -6.209 19.054 1.00 0.00 H new ATOM 71 N LYS A 6 8.628 -4.284 16.975 1.00 0.00 N ATOM 72 CA LYS A 6 7.333 -4.133 16.284 1.00 0.00 C ATOM 73 C LYS A 6 7.466 -3.289 15.004 1.00 0.00 C ATOM 74 O LYS A 6 8.071 -2.214 15.019 1.00 0.00 O ATOM 75 CB LYS A 6 6.303 -3.537 17.261 1.00 0.00 C ATOM 76 CG LYS A 6 4.880 -3.477 16.682 1.00 0.00 C ATOM 77 CD LYS A 6 3.895 -2.916 17.714 1.00 0.00 C ATOM 78 CE LYS A 6 2.486 -2.815 17.117 1.00 0.00 C ATOM 79 NZ LYS A 6 1.549 -2.116 18.036 1.00 0.00 N ATOM 0 H LYS A 6 8.655 -3.818 17.882 1.00 0.00 H new ATOM 0 HA LYS A 6 6.985 -5.115 15.964 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.292 -4.132 18.174 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.617 -2.531 17.540 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.872 -2.853 15.789 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.565 -4.475 16.377 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.877 -3.558 18.594 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.227 -1.932 18.044 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.530 -2.282 16.167 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.108 -3.815 16.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.573 -2.242 17.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.639 -2.514 18.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.778 -1.102 18.060 1.00 0.00 H new ATOM 93 N SER A 7 6.871 -3.762 13.908 1.00 0.00 N ATOM 94 CA SER A 7 6.825 -3.078 12.605 1.00 0.00 C ATOM 95 C SER A 7 5.642 -2.105 12.478 1.00 0.00 C ATOM 96 O SER A 7 4.631 -2.231 13.176 1.00 0.00 O ATOM 97 CB SER A 7 6.820 -4.107 11.471 1.00 0.00 C ATOM 98 OG SER A 7 5.772 -5.050 11.634 1.00 0.00 O ATOM 0 H SER A 7 6.390 -4.662 13.898 1.00 0.00 H new ATOM 0 HA SER A 7 7.725 -2.467 12.530 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.707 -3.597 10.515 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.778 -4.626 11.444 1.00 0.00 H new ATOM 0 HG SER A 7 5.842 -5.740 10.942 1.00 0.00 H new ATOM 104 N ALA A 8 5.764 -1.113 11.589 1.00 0.00 N ATOM 105 CA ALA A 8 4.851 0.039 11.513 1.00 0.00 C ATOM 106 C ALA A 8 3.755 -0.053 10.420 1.00 0.00 C ATOM 107 O ALA A 8 3.267 0.974 9.942 1.00 0.00 O ATOM 108 CB ALA A 8 5.704 1.310 11.417 1.00 0.00 C ATOM 0 H ALA A 8 6.508 -1.085 10.892 1.00 0.00 H new ATOM 0 HA ALA A 8 4.253 0.056 12.424 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.052 2.182 11.359 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.339 1.389 12.299 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.327 1.263 10.524 1.00 0.00 H new ATOM 114 N THR A 9 3.348 -1.263 10.016 1.00 0.00 N ATOM 115 CA THR A 9 2.269 -1.494 9.029 1.00 0.00 C ATOM 116 C THR A 9 0.878 -1.601 9.675 1.00 0.00 C ATOM 117 O THR A 9 0.743 -1.974 10.844 1.00 0.00 O ATOM 118 CB THR A 9 2.535 -2.745 8.172 1.00 0.00 C ATOM 119 OG1 THR A 9 2.771 -3.869 8.993 1.00 0.00 O ATOM 120 CG2 THR A 9 3.750 -2.574 7.261 1.00 0.00 C ATOM 0 H THR A 9 3.761 -2.127 10.367 1.00 0.00 H new ATOM 0 HA THR A 9 2.273 -0.614 8.386 1.00 0.00 H new ATOM 0 HB THR A 9 1.644 -2.890 7.560 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.936 -4.655 8.432 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.897 -3.482 6.677 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.585 -1.732 6.588 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.636 -2.385 7.867 1.00 0.00 H new ATOM 128 N ILE A 10 -0.169 -1.285 8.901 1.00 0.00 N ATOM 129 CA ILE A 10 -1.594 -1.354 9.293 1.00 0.00 C ATOM 130 C ILE A 10 -2.460 -1.955 8.172 1.00 0.00 C ATOM 131 O ILE A 10 -2.106 -1.850 6.997 1.00 0.00 O ATOM 132 CB ILE A 10 -2.136 0.040 9.709 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.035 1.081 8.566 1.00 0.00 C ATOM 134 CG2 ILE A 10 -1.435 0.535 10.987 1.00 0.00 C ATOM 135 CD1 ILE A 10 -2.682 2.436 8.875 1.00 0.00 C ATOM 0 H ILE A 10 -0.047 -0.960 7.942 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.655 -2.014 10.158 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.198 -0.077 9.923 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.983 1.241 8.331 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.502 0.666 7.673 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.829 1.513 11.262 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.616 -0.170 11.798 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.363 0.613 10.807 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.562 3.100 8.019 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.743 2.294 9.079 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.201 2.878 9.747 1.00 0.00 H new ATOM 147 N LYS A 11 -3.616 -2.543 8.508 1.00 0.00 N ATOM 148 CA LYS A 11 -4.652 -2.918 7.526 1.00 0.00 C ATOM 149 C LYS A 11 -5.697 -1.802 7.382 1.00 0.00 C ATOM 150 O LYS A 11 -6.119 -1.223 8.385 1.00 0.00 O ATOM 151 CB LYS A 11 -5.281 -4.280 7.888 1.00 0.00 C ATOM 152 CG LYS A 11 -6.078 -4.883 6.715 1.00 0.00 C ATOM 153 CD LYS A 11 -6.712 -6.234 7.080 1.00 0.00 C ATOM 154 CE LYS A 11 -7.380 -6.862 5.844 1.00 0.00 C ATOM 155 NZ LYS A 11 -8.090 -8.128 6.166 1.00 0.00 N ATOM 0 H LYS A 11 -3.863 -2.774 9.470 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.184 -3.037 6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.495 -4.974 8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.940 -4.157 8.748 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.860 -4.186 6.413 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.418 -5.013 5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.949 -6.907 7.471 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.450 -6.095 7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.087 -6.151 5.416 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.623 -7.056 5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.242 -8.673 5.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.517 -8.689 6.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.009 -7.910 6.602 1.00 0.00 H new ATOM 169 N VAL A 12 -6.133 -1.528 6.153 1.00 0.00 N ATOM 170 CA VAL A 12 -7.247 -0.613 5.822 1.00 0.00 C ATOM 171 C VAL A 12 -8.290 -1.326 4.959 1.00 0.00 C ATOM 172 O VAL A 12 -7.951 -2.247 4.217 1.00 0.00 O ATOM 173 CB VAL A 12 -6.763 0.687 5.142 1.00 0.00 C ATOM 174 CG1 VAL A 12 -5.922 1.530 6.107 1.00 0.00 C ATOM 175 CG2 VAL A 12 -5.958 0.443 3.857 1.00 0.00 C ATOM 0 H VAL A 12 -5.711 -1.947 5.324 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.711 -0.320 6.764 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.670 1.224 4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.594 2.440 5.604 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.522 1.793 6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.051 0.957 6.426 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.650 1.399 3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.075 -0.152 4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.577 -0.091 3.136 1.00 0.00 H new ATOM 185 N THR A 13 -9.560 -0.924 5.064 1.00 0.00 N ATOM 186 CA THR A 13 -10.710 -1.532 4.360 1.00 0.00 C ATOM 187 C THR A 13 -11.726 -0.466 3.940 1.00 0.00 C ATOM 188 O THR A 13 -11.785 0.607 4.540 1.00 0.00 O ATOM 189 CB THR A 13 -11.418 -2.589 5.230 1.00 0.00 C ATOM 190 OG1 THR A 13 -11.978 -1.997 6.384 1.00 0.00 O ATOM 191 CG2 THR A 13 -10.485 -3.707 5.701 1.00 0.00 C ATOM 0 H THR A 13 -9.833 -0.142 5.659 1.00 0.00 H new ATOM 0 HA THR A 13 -10.310 -2.021 3.472 1.00 0.00 H new ATOM 0 HB THR A 13 -12.188 -3.018 4.589 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.424 -2.685 6.921 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.046 -4.417 6.308 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.067 -4.221 4.835 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.677 -3.280 6.295 1.00 0.00 H new ATOM 199 N ASP A 14 -12.557 -0.747 2.931 1.00 0.00 N ATOM 200 CA ASP A 14 -13.514 0.199 2.325 1.00 0.00 C ATOM 201 C ASP A 14 -14.450 0.911 3.327 1.00 0.00 C ATOM 202 O ASP A 14 -14.849 2.055 3.097 1.00 0.00 O ATOM 203 CB ASP A 14 -14.342 -0.568 1.282 1.00 0.00 C ATOM 204 CG ASP A 14 -15.224 0.365 0.442 1.00 0.00 C ATOM 205 OD1 ASP A 14 -14.673 1.085 -0.422 1.00 0.00 O ATOM 206 OD2 ASP A 14 -16.466 0.354 0.623 1.00 0.00 O ATOM 0 H ASP A 14 -12.587 -1.669 2.495 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.928 1.001 1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.672 -1.121 0.624 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.970 -1.302 1.787 1.00 0.00 H new ATOM 211 N ALA A 15 -14.752 0.279 4.467 1.00 0.00 N ATOM 212 CA ALA A 15 -15.581 0.846 5.535 1.00 0.00 C ATOM 213 C ALA A 15 -14.922 2.023 6.297 1.00 0.00 C ATOM 214 O ALA A 15 -15.632 2.815 6.925 1.00 0.00 O ATOM 215 CB ALA A 15 -15.948 -0.296 6.492 1.00 0.00 C ATOM 0 H ALA A 15 -14.419 -0.662 4.677 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.468 1.284 5.078 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.567 0.092 7.301 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.500 -1.063 5.949 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.038 -0.730 6.907 1.00 0.00 H new ATOM 221 N SER A 16 -13.590 2.158 6.237 1.00 0.00 N ATOM 222 CA SER A 16 -12.799 3.173 6.964 1.00 0.00 C ATOM 223 C SER A 16 -11.704 3.841 6.115 1.00 0.00 C ATOM 224 O SER A 16 -11.055 4.777 6.582 1.00 0.00 O ATOM 225 CB SER A 16 -12.163 2.546 8.215 1.00 0.00 C ATOM 226 OG SER A 16 -13.139 1.964 9.071 1.00 0.00 O ATOM 0 H SER A 16 -13.010 1.546 5.663 1.00 0.00 H new ATOM 0 HA SER A 16 -13.502 3.960 7.238 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.444 1.784 7.914 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.609 3.309 8.762 1.00 0.00 H new ATOM 0 HG SER A 16 -12.697 1.574 9.854 1.00 0.00 H new ATOM 232 N PHE A 17 -11.508 3.411 4.862 1.00 0.00 N ATOM 233 CA PHE A 17 -10.438 3.854 3.958 1.00 0.00 C ATOM 234 C PHE A 17 -10.393 5.378 3.804 1.00 0.00 C ATOM 235 O PHE A 17 -9.319 5.978 3.827 1.00 0.00 O ATOM 236 CB PHE A 17 -10.643 3.181 2.588 1.00 0.00 C ATOM 237 CG PHE A 17 -9.431 3.202 1.678 1.00 0.00 C ATOM 238 CD1 PHE A 17 -9.105 4.356 0.939 1.00 0.00 C ATOM 239 CD2 PHE A 17 -8.650 2.039 1.534 1.00 0.00 C ATOM 240 CE1 PHE A 17 -8.002 4.348 0.068 1.00 0.00 C ATOM 241 CE2 PHE A 17 -7.560 2.026 0.648 1.00 0.00 C ATOM 242 CZ PHE A 17 -7.231 3.184 -0.081 1.00 0.00 C ATOM 0 H PHE A 17 -12.117 2.715 4.432 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.481 3.560 4.389 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -10.940 2.145 2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.471 3.674 2.078 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.704 5.249 1.042 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.890 1.155 2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.747 5.238 -0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.974 1.127 0.526 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.387 3.177 -0.754 1.00 0.00 H new ATOM 252 N ALA A 18 -11.554 6.027 3.693 1.00 0.00 N ATOM 253 CA ALA A 18 -11.619 7.477 3.557 1.00 0.00 C ATOM 254 C ALA A 18 -11.158 8.226 4.822 1.00 0.00 C ATOM 255 O ALA A 18 -10.543 9.286 4.714 1.00 0.00 O ATOM 256 CB ALA A 18 -13.032 7.871 3.119 1.00 0.00 C ATOM 0 H ALA A 18 -12.464 5.566 3.695 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.910 7.784 2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.092 8.954 3.014 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.261 7.401 2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.751 7.539 3.868 1.00 0.00 H new ATOM 262 N THR A 19 -11.396 7.671 6.012 1.00 0.00 N ATOM 263 CA THR A 19 -10.927 8.227 7.297 1.00 0.00 C ATOM 264 C THR A 19 -9.454 7.907 7.576 1.00 0.00 C ATOM 265 O THR A 19 -8.756 8.703 8.206 1.00 0.00 O ATOM 266 CB THR A 19 -11.805 7.713 8.455 1.00 0.00 C ATOM 267 OG1 THR A 19 -13.179 7.839 8.130 1.00 0.00 O ATOM 268 CG2 THR A 19 -11.592 8.485 9.758 1.00 0.00 C ATOM 0 H THR A 19 -11.929 6.808 6.119 1.00 0.00 H new ATOM 0 HA THR A 19 -11.014 9.311 7.223 1.00 0.00 H new ATOM 0 HB THR A 19 -11.513 6.673 8.599 1.00 0.00 H new ATOM 0 HG1 THR A 19 -13.723 7.507 8.874 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.239 8.075 10.534 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.551 8.395 10.068 1.00 0.00 H new ATOM 0 HG23 THR A 19 -11.834 9.536 9.602 1.00 0.00 H new ATOM 276 N ASP A 20 -8.949 6.763 7.102 1.00 0.00 N ATOM 277 CA ASP A 20 -7.573 6.317 7.373 1.00 0.00 C ATOM 278 C ASP A 20 -6.551 6.832 6.346 1.00 0.00 C ATOM 279 O ASP A 20 -5.445 7.232 6.713 1.00 0.00 O ATOM 280 CB ASP A 20 -7.523 4.780 7.437 1.00 0.00 C ATOM 281 CG ASP A 20 -8.255 4.178 8.650 1.00 0.00 C ATOM 282 OD1 ASP A 20 -8.208 4.765 9.758 1.00 0.00 O ATOM 283 OD2 ASP A 20 -8.837 3.076 8.507 1.00 0.00 O ATOM 0 H ASP A 20 -9.481 6.118 6.519 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.291 6.745 8.335 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.960 4.375 6.524 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.481 4.462 7.460 1.00 0.00 H new ATOM 288 N VAL A 21 -6.917 6.820 5.062 1.00 0.00 N ATOM 289 CA VAL A 21 -6.034 7.131 3.928 1.00 0.00 C ATOM 290 C VAL A 21 -6.344 8.512 3.346 1.00 0.00 C ATOM 291 O VAL A 21 -5.452 9.351 3.229 1.00 0.00 O ATOM 292 CB VAL A 21 -6.149 6.035 2.845 1.00 0.00 C ATOM 293 CG1 VAL A 21 -5.151 6.254 1.707 1.00 0.00 C ATOM 294 CG2 VAL A 21 -5.915 4.626 3.412 1.00 0.00 C ATOM 0 H VAL A 21 -7.866 6.586 4.770 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.006 7.153 4.291 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.169 6.110 2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.264 5.462 0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.340 7.219 1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.136 6.237 2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.007 3.892 2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.916 4.569 3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.656 4.416 4.183 1.00 0.00 H new ATOM 304 N LEU A 22 -7.614 8.771 3.012 1.00 0.00 N ATOM 305 CA LEU A 22 -8.022 9.981 2.279 1.00 0.00 C ATOM 306 C LEU A 22 -8.185 11.227 3.173 1.00 0.00 C ATOM 307 O LEU A 22 -8.241 12.344 2.657 1.00 0.00 O ATOM 308 CB LEU A 22 -9.273 9.714 1.419 1.00 0.00 C ATOM 309 CG LEU A 22 -9.221 8.435 0.557 1.00 0.00 C ATOM 310 CD1 LEU A 22 -10.537 8.257 -0.202 1.00 0.00 C ATOM 311 CD2 LEU A 22 -8.091 8.431 -0.469 1.00 0.00 C ATOM 0 H LEU A 22 -8.389 8.149 3.241 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.197 10.222 1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.140 9.654 2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.431 10.569 0.762 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.044 7.619 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.489 7.351 -0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.359 8.175 0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.703 9.118 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.118 7.501 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.213 9.275 -1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.133 8.515 0.044 1.00 0.00 H new ATOM 323 N SER A 23 -8.222 11.058 4.500 1.00 0.00 N ATOM 324 CA SER A 23 -8.275 12.167 5.471 1.00 0.00 C ATOM 325 C SER A 23 -6.885 12.668 5.901 1.00 0.00 C ATOM 326 O SER A 23 -6.782 13.690 6.584 1.00 0.00 O ATOM 327 CB SER A 23 -9.113 11.788 6.692 1.00 0.00 C ATOM 328 OG SER A 23 -10.464 11.592 6.309 1.00 0.00 O ATOM 0 H SER A 23 -8.216 10.137 4.939 1.00 0.00 H new ATOM 0 HA SER A 23 -8.756 12.997 4.954 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.719 10.879 7.146 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.050 12.573 7.445 1.00 0.00 H new ATOM 0 HG SER A 23 -10.529 10.802 5.733 1.00 0.00 H new ATOM 334 N SER A 24 -5.809 11.956 5.538 1.00 0.00 N ATOM 335 CA SER A 24 -4.438 12.256 5.975 1.00 0.00 C ATOM 336 C SER A 24 -3.803 13.433 5.220 1.00 0.00 C ATOM 337 O SER A 24 -3.952 13.560 4.002 1.00 0.00 O ATOM 338 CB SER A 24 -3.557 11.017 5.848 1.00 0.00 C ATOM 339 OG SER A 24 -2.333 11.259 6.516 1.00 0.00 O ATOM 0 H SER A 24 -5.867 11.144 4.924 1.00 0.00 H new ATOM 0 HA SER A 24 -4.508 12.556 7.021 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.058 10.151 6.280 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.375 10.789 4.798 1.00 0.00 H new ATOM 0 HG SER A 24 -1.758 10.469 6.443 1.00 0.00 H new ATOM 345 N ASN A 25 -3.056 14.271 5.947 1.00 0.00 N ATOM 346 CA ASN A 25 -2.299 15.411 5.410 1.00 0.00 C ATOM 347 C ASN A 25 -0.795 15.109 5.194 1.00 0.00 C ATOM 348 O ASN A 25 -0.076 15.929 4.618 1.00 0.00 O ATOM 349 CB ASN A 25 -2.581 16.628 6.311 1.00 0.00 C ATOM 350 CG ASN A 25 -1.924 17.921 5.845 1.00 0.00 C ATOM 351 OD1 ASN A 25 -1.152 18.542 6.566 1.00 0.00 O ATOM 352 ND2 ASN A 25 -2.220 18.397 4.657 1.00 0.00 N ATOM 0 H ASN A 25 -2.957 14.173 6.957 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.639 15.636 4.399 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.659 16.782 6.367 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.238 16.404 7.321 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.808 19.276 4.343 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.861 17.888 4.049 1.00 0.00 H new ATOM 359 N LYS A 26 -0.324 13.923 5.607 1.00 0.00 N ATOM 360 CA LYS A 26 0.971 13.346 5.195 1.00 0.00 C ATOM 361 C LYS A 26 0.773 12.324 4.060 1.00 0.00 C ATOM 362 O LYS A 26 -0.348 11.837 3.880 1.00 0.00 O ATOM 363 CB LYS A 26 1.717 12.742 6.404 1.00 0.00 C ATOM 364 CG LYS A 26 0.970 11.573 7.070 1.00 0.00 C ATOM 365 CD LYS A 26 1.777 10.857 8.162 1.00 0.00 C ATOM 366 CE LYS A 26 2.970 10.073 7.595 1.00 0.00 C ATOM 367 NZ LYS A 26 3.476 9.088 8.584 1.00 0.00 N ATOM 0 H LYS A 26 -0.841 13.323 6.250 1.00 0.00 H new ATOM 0 HA LYS A 26 1.600 14.145 4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.698 12.396 6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.884 13.524 7.145 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.043 11.948 7.504 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.693 10.849 6.304 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.138 11.591 8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.123 10.174 8.704 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.671 9.557 6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.768 10.764 7.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.351 8.655 8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.671 9.569 9.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.761 8.348 8.734 1.00 0.00 H new ATOM 381 N PRO A 27 1.828 11.949 3.316 1.00 0.00 N ATOM 382 CA PRO A 27 1.759 10.843 2.367 1.00 0.00 C ATOM 383 C PRO A 27 1.327 9.512 3.008 1.00 0.00 C ATOM 384 O PRO A 27 1.791 9.141 4.091 1.00 0.00 O ATOM 385 CB PRO A 27 3.150 10.754 1.733 1.00 0.00 C ATOM 386 CG PRO A 27 3.667 12.187 1.838 1.00 0.00 C ATOM 387 CD PRO A 27 3.088 12.661 3.170 1.00 0.00 C ATOM 0 HA PRO A 27 0.987 11.031 1.621 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.792 10.053 2.266 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.101 10.417 0.697 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.756 12.225 1.834 1.00 0.00 H new ATOM 0 HG3 PRO A 27 3.324 12.802 1.006 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.764 12.437 3.995 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.932 13.740 3.170 1.00 0.00 H new ATOM 395 N VAL A 28 0.465 8.770 2.310 1.00 0.00 N ATOM 396 CA VAL A 28 -0.034 7.442 2.705 1.00 0.00 C ATOM 397 C VAL A 28 0.069 6.498 1.507 1.00 0.00 C ATOM 398 O VAL A 28 -0.345 6.840 0.399 1.00 0.00 O ATOM 399 CB VAL A 28 -1.478 7.482 3.252 1.00 0.00 C ATOM 400 CG1 VAL A 28 -1.890 6.110 3.807 1.00 0.00 C ATOM 401 CG2 VAL A 28 -1.647 8.497 4.387 1.00 0.00 C ATOM 0 H VAL A 28 0.078 9.085 1.420 1.00 0.00 H new ATOM 0 HA VAL A 28 0.586 7.078 3.524 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.105 7.771 2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.910 6.163 4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.836 5.365 3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.216 5.827 4.616 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.680 8.485 4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.983 8.235 5.211 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.398 9.494 4.024 1.00 0.00 H new ATOM 411 N LEU A 29 0.631 5.313 1.726 1.00 0.00 N ATOM 412 CA LEU A 29 0.960 4.333 0.693 1.00 0.00 C ATOM 413 C LEU A 29 0.258 3.011 1.009 1.00 0.00 C ATOM 414 O LEU A 29 0.481 2.438 2.074 1.00 0.00 O ATOM 415 CB LEU A 29 2.498 4.231 0.645 1.00 0.00 C ATOM 416 CG LEU A 29 3.133 3.370 -0.462 1.00 0.00 C ATOM 417 CD1 LEU A 29 3.308 1.916 -0.030 1.00 0.00 C ATOM 418 CD2 LEU A 29 2.369 3.352 -1.785 1.00 0.00 C ATOM 0 H LEU A 29 0.880 4.996 2.663 1.00 0.00 H new ATOM 0 HA LEU A 29 0.609 4.624 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.896 5.241 0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.837 3.842 1.605 1.00 0.00 H new ATOM 0 HG LEU A 29 4.094 3.858 -0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.759 1.347 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.955 1.872 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.335 1.490 0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.895 2.719 -2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.366 2.958 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.301 4.366 -2.179 1.00 0.00 H new ATOM 430 N VAL A 30 -0.602 2.536 0.107 1.00 0.00 N ATOM 431 CA VAL A 30 -1.466 1.370 0.343 1.00 0.00 C ATOM 432 C VAL A 30 -1.175 0.256 -0.662 1.00 0.00 C ATOM 433 O VAL A 30 -1.220 0.484 -1.871 1.00 0.00 O ATOM 434 CB VAL A 30 -2.960 1.741 0.323 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.781 0.589 0.918 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.284 3.019 1.109 1.00 0.00 C ATOM 0 H VAL A 30 -0.722 2.951 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.235 1.003 1.343 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.217 1.923 -0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.839 0.851 0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.623 -0.313 0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.465 0.410 1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.354 3.220 1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.994 2.888 2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.734 3.858 0.682 1.00 0.00 H new ATOM 446 N ASP A 31 -0.900 -0.951 -0.169 1.00 0.00 N ATOM 447 CA ASP A 31 -0.618 -2.144 -0.975 1.00 0.00 C ATOM 448 C ASP A 31 -1.781 -3.151 -0.961 1.00 0.00 C ATOM 449 O ASP A 31 -2.153 -3.692 0.082 1.00 0.00 O ATOM 450 CB ASP A 31 0.694 -2.766 -0.491 1.00 0.00 C ATOM 451 CG ASP A 31 0.963 -4.130 -1.141 1.00 0.00 C ATOM 452 OD1 ASP A 31 0.916 -4.223 -2.388 1.00 0.00 O ATOM 453 OD2 ASP A 31 1.216 -5.095 -0.384 1.00 0.00 O ATOM 0 H ASP A 31 -0.866 -1.134 0.834 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.510 -1.848 -2.019 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.519 -2.090 -0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.661 -2.882 0.592 1.00 0.00 H new ATOM 458 N PHE A 32 -2.344 -3.417 -2.137 1.00 0.00 N ATOM 459 CA PHE A 32 -3.438 -4.353 -2.387 1.00 0.00 C ATOM 460 C PHE A 32 -2.838 -5.708 -2.791 1.00 0.00 C ATOM 461 O PHE A 32 -2.201 -5.823 -3.842 1.00 0.00 O ATOM 462 CB PHE A 32 -4.387 -3.761 -3.446 1.00 0.00 C ATOM 463 CG PHE A 32 -5.154 -2.518 -3.005 1.00 0.00 C ATOM 464 CD1 PHE A 32 -4.486 -1.305 -2.738 1.00 0.00 C ATOM 465 CD2 PHE A 32 -6.558 -2.562 -2.876 1.00 0.00 C ATOM 466 CE1 PHE A 32 -5.206 -0.173 -2.326 1.00 0.00 C ATOM 467 CE2 PHE A 32 -7.280 -1.415 -2.493 1.00 0.00 C ATOM 468 CZ PHE A 32 -6.601 -0.213 -2.232 1.00 0.00 C ATOM 0 H PHE A 32 -2.030 -2.958 -2.992 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.039 -4.517 -1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.806 -3.514 -4.335 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.105 -4.528 -3.737 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.414 -1.247 -2.851 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.084 -3.484 -3.073 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.679 0.737 -2.079 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.355 -1.459 -2.400 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.153 0.675 -1.960 1.00 0.00 H new ATOM 478 N TRP A 33 -2.987 -6.713 -1.923 1.00 0.00 N ATOM 479 CA TRP A 33 -2.213 -7.965 -1.931 1.00 0.00 C ATOM 480 C TRP A 33 -3.052 -9.190 -1.525 1.00 0.00 C ATOM 481 O TRP A 33 -4.179 -9.044 -1.054 1.00 0.00 O ATOM 482 CB TRP A 33 -1.021 -7.801 -0.970 1.00 0.00 C ATOM 483 CG TRP A 33 -1.342 -7.934 0.493 1.00 0.00 C ATOM 484 CD1 TRP A 33 -2.047 -7.036 1.216 1.00 0.00 C ATOM 485 CD2 TRP A 33 -1.018 -9.019 1.422 1.00 0.00 C ATOM 486 NE1 TRP A 33 -2.245 -7.516 2.494 1.00 0.00 N ATOM 487 CE2 TRP A 33 -1.611 -8.722 2.687 1.00 0.00 C ATOM 488 CE3 TRP A 33 -0.265 -10.212 1.344 1.00 0.00 C ATOM 489 CZ2 TRP A 33 -1.478 -9.559 3.804 1.00 0.00 C ATOM 490 CZ3 TRP A 33 -0.114 -11.057 2.459 1.00 0.00 C ATOM 491 CH2 TRP A 33 -0.724 -10.738 3.685 1.00 0.00 C ATOM 0 H TRP A 33 -3.672 -6.679 -1.168 1.00 0.00 H new ATOM 0 HA TRP A 33 -1.874 -8.149 -2.951 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.266 -8.544 -1.227 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.574 -6.821 -1.138 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -2.402 -6.085 0.848 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -2.794 -7.036 3.208 1.00 0.00 H new ATOM 0 HE3 TRP A 33 0.204 -10.481 0.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -1.948 -9.301 4.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 0.475 -11.958 2.372 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -0.613 -11.398 4.533 1.00 0.00 H new ATOM 502 N ALA A 34 -2.492 -10.400 -1.643 1.00 0.00 N ATOM 503 CA ALA A 34 -3.027 -11.599 -0.984 1.00 0.00 C ATOM 504 C ALA A 34 -1.931 -12.569 -0.516 1.00 0.00 C ATOM 505 O ALA A 34 -0.907 -12.736 -1.183 1.00 0.00 O ATOM 506 CB ALA A 34 -3.983 -12.324 -1.933 1.00 0.00 C ATOM 0 H ALA A 34 -1.655 -10.576 -2.198 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.555 -11.262 -0.092 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.379 -13.213 -1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.806 -11.660 -2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.447 -12.616 -2.836 1.00 0.00 H new ATOM 512 N THR A 35 -2.190 -13.288 0.580 1.00 0.00 N ATOM 513 CA THR A 35 -1.309 -14.345 1.120 1.00 0.00 C ATOM 514 C THR A 35 -1.081 -15.492 0.123 1.00 0.00 C ATOM 515 O THR A 35 -0.024 -16.124 0.136 1.00 0.00 O ATOM 516 CB THR A 35 -1.903 -14.922 2.422 1.00 0.00 C ATOM 517 OG1 THR A 35 -2.354 -13.881 3.264 1.00 0.00 O ATOM 518 CG2 THR A 35 -0.893 -15.728 3.242 1.00 0.00 C ATOM 0 H THR A 35 -3.036 -13.154 1.134 1.00 0.00 H new ATOM 0 HA THR A 35 -0.345 -13.876 1.317 1.00 0.00 H new ATOM 0 HB THR A 35 -2.714 -15.575 2.100 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.771 -13.100 3.159 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.375 -16.105 4.144 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.528 -16.566 2.648 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.055 -15.088 3.519 1.00 0.00 H new ATOM 526 N TRP A 36 -2.040 -15.741 -0.780 1.00 0.00 N ATOM 527 CA TRP A 36 -1.957 -16.779 -1.816 1.00 0.00 C ATOM 528 C TRP A 36 -1.057 -16.426 -3.018 1.00 0.00 C ATOM 529 O TRP A 36 -0.851 -17.272 -3.893 1.00 0.00 O ATOM 530 CB TRP A 36 -3.378 -17.213 -2.228 1.00 0.00 C ATOM 531 CG TRP A 36 -4.389 -16.165 -2.625 1.00 0.00 C ATOM 532 CD1 TRP A 36 -5.524 -15.891 -1.938 1.00 0.00 C ATOM 533 CD2 TRP A 36 -4.443 -15.299 -3.810 1.00 0.00 C ATOM 534 NE1 TRP A 36 -6.294 -14.983 -2.629 1.00 0.00 N ATOM 535 CE2 TRP A 36 -5.660 -14.547 -3.769 1.00 0.00 C ATOM 536 CE3 TRP A 36 -3.599 -15.065 -4.920 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -6.010 -13.608 -4.749 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -3.925 -14.102 -5.896 1.00 0.00 C ATOM 539 CH2 TRP A 36 -5.127 -13.377 -5.815 1.00 0.00 C ATOM 0 H TRP A 36 -2.913 -15.215 -0.811 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.443 -17.631 -1.372 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.279 -17.905 -3.065 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.801 -17.777 -1.397 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.787 -16.323 -0.984 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.219 -14.672 -2.333 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.687 -15.635 -5.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.945 -13.071 -4.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.245 -13.919 -6.715 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -5.370 -12.645 -6.571 1.00 0.00 H new ATOM 550 N CYS A 37 -0.501 -15.208 -3.079 1.00 0.00 N ATOM 551 CA CYS A 37 0.339 -14.728 -4.181 1.00 0.00 C ATOM 552 C CYS A 37 1.824 -14.621 -3.766 1.00 0.00 C ATOM 553 O CYS A 37 2.172 -13.894 -2.834 1.00 0.00 O ATOM 554 CB CYS A 37 -0.258 -13.397 -4.658 1.00 0.00 C ATOM 555 SG CYS A 37 0.696 -12.699 -6.036 1.00 0.00 S ATOM 0 H CYS A 37 -0.627 -14.513 -2.343 1.00 0.00 H new ATOM 0 HA CYS A 37 0.340 -15.438 -5.008 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.291 -13.551 -4.970 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.277 -12.688 -3.831 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.110 -12.381 -7.005 1.00 0.00 H new ATOM 561 N GLY A 38 2.719 -15.312 -4.483 1.00 0.00 N ATOM 562 CA GLY A 38 4.166 -15.314 -4.203 1.00 0.00 C ATOM 563 C GLY A 38 4.829 -13.930 -4.315 1.00 0.00 C ATOM 564 O GLY A 38 5.500 -13.514 -3.371 1.00 0.00 O ATOM 0 H GLY A 38 2.460 -15.891 -5.281 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.330 -15.704 -3.198 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.658 -15.998 -4.895 1.00 0.00 H new ATOM 568 N PRO A 39 4.597 -13.154 -5.393 1.00 0.00 N ATOM 569 CA PRO A 39 5.026 -11.755 -5.478 1.00 0.00 C ATOM 570 C PRO A 39 4.500 -10.861 -4.341 1.00 0.00 C ATOM 571 O PRO A 39 5.241 -10.017 -3.840 1.00 0.00 O ATOM 572 CB PRO A 39 4.544 -11.279 -6.851 1.00 0.00 C ATOM 573 CG PRO A 39 4.596 -12.552 -7.694 1.00 0.00 C ATOM 574 CD PRO A 39 4.168 -13.631 -6.701 1.00 0.00 C ATOM 0 HA PRO A 39 6.108 -11.684 -5.364 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.536 -10.867 -6.804 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.189 -10.499 -7.257 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.922 -12.499 -8.549 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.596 -12.737 -8.087 1.00 0.00 H new ATOM 0 HD2 PRO A 39 3.089 -13.782 -6.728 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.630 -14.589 -6.940 1.00 0.00 H new ATOM 582 N CYS A 40 3.268 -11.076 -3.863 1.00 0.00 N ATOM 583 CA CYS A 40 2.744 -10.364 -2.688 1.00 0.00 C ATOM 584 C CYS A 40 3.532 -10.706 -1.412 1.00 0.00 C ATOM 585 O CYS A 40 3.930 -9.808 -0.668 1.00 0.00 O ATOM 586 CB CYS A 40 1.262 -10.690 -2.491 1.00 0.00 C ATOM 587 SG CYS A 40 0.247 -9.966 -3.804 1.00 0.00 S ATOM 0 H CYS A 40 2.612 -11.740 -4.273 1.00 0.00 H new ATOM 0 HA CYS A 40 2.860 -9.296 -2.873 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.124 -11.771 -2.477 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.930 -10.314 -1.523 1.00 0.00 H new ATOM 0 HG CYS A 40 0.214 -10.774 -4.822 1.00 0.00 H new ATOM 593 N LYS A 41 3.816 -11.996 -1.189 1.00 0.00 N ATOM 594 CA LYS A 41 4.668 -12.482 -0.087 1.00 0.00 C ATOM 595 C LYS A 41 6.111 -11.960 -0.188 1.00 0.00 C ATOM 596 O LYS A 41 6.743 -11.729 0.841 1.00 0.00 O ATOM 597 CB LYS A 41 4.640 -14.023 -0.075 1.00 0.00 C ATOM 598 CG LYS A 41 3.278 -14.625 0.329 1.00 0.00 C ATOM 599 CD LYS A 41 3.015 -14.631 1.843 1.00 0.00 C ATOM 600 CE LYS A 41 3.949 -15.616 2.560 1.00 0.00 C ATOM 601 NZ LYS A 41 3.655 -15.703 4.015 1.00 0.00 N ATOM 0 H LYS A 41 3.456 -12.747 -1.778 1.00 0.00 H new ATOM 0 HA LYS A 41 4.269 -12.096 0.851 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.907 -14.388 -1.067 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.404 -14.384 0.614 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.485 -14.063 -0.164 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.221 -15.648 -0.042 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.160 -13.628 2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.977 -14.904 2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.849 -16.604 2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.984 -15.304 2.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.308 -16.378 4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.775 -14.766 4.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.676 -16.025 4.153 1.00 0.00 H new ATOM 615 N MET A 42 6.615 -11.730 -1.402 1.00 0.00 N ATOM 616 CA MET A 42 7.950 -11.175 -1.669 1.00 0.00 C ATOM 617 C MET A 42 8.044 -9.659 -1.413 1.00 0.00 C ATOM 618 O MET A 42 9.056 -9.200 -0.882 1.00 0.00 O ATOM 619 CB MET A 42 8.364 -11.538 -3.104 1.00 0.00 C ATOM 620 CG MET A 42 9.830 -11.189 -3.391 1.00 0.00 C ATOM 621 SD MET A 42 10.468 -11.787 -4.984 1.00 0.00 S ATOM 622 CE MET A 42 9.514 -10.764 -6.139 1.00 0.00 C ATOM 0 H MET A 42 6.092 -11.930 -2.255 1.00 0.00 H new ATOM 0 HA MET A 42 8.648 -11.623 -0.961 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.208 -12.604 -3.266 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.722 -11.011 -3.810 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.943 -10.105 -3.356 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.448 -11.600 -2.593 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.819 -10.989 -7.161 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.452 -10.977 -6.022 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.698 -9.710 -5.929 1.00 0.00 H new ATOM 632 N VAL A 43 7.008 -8.874 -1.745 1.00 0.00 N ATOM 633 CA VAL A 43 6.998 -7.410 -1.508 1.00 0.00 C ATOM 634 C VAL A 43 6.566 -7.021 -0.082 1.00 0.00 C ATOM 635 O VAL A 43 6.905 -5.934 0.383 1.00 0.00 O ATOM 636 CB VAL A 43 6.209 -6.675 -2.612 1.00 0.00 C ATOM 637 CG1 VAL A 43 4.692 -6.768 -2.445 1.00 0.00 C ATOM 638 CG2 VAL A 43 6.611 -5.200 -2.733 1.00 0.00 C ATOM 0 H VAL A 43 6.156 -9.226 -2.182 1.00 0.00 H new ATOM 0 HA VAL A 43 8.031 -7.070 -1.575 1.00 0.00 H new ATOM 0 HB VAL A 43 6.478 -7.198 -3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.203 -6.229 -3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.387 -7.814 -2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.403 -6.327 -1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.028 -4.728 -3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.420 -4.692 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.672 -5.131 -2.974 1.00 0.00 H new ATOM 648 N ALA A 44 5.893 -7.907 0.660 1.00 0.00 N ATOM 649 CA ALA A 44 5.518 -7.694 2.064 1.00 0.00 C ATOM 650 C ALA A 44 6.693 -7.314 3.001 1.00 0.00 C ATOM 651 O ALA A 44 6.572 -6.282 3.666 1.00 0.00 O ATOM 652 CB ALA A 44 4.738 -8.919 2.563 1.00 0.00 C ATOM 0 H ALA A 44 5.588 -8.809 0.296 1.00 0.00 H new ATOM 0 HA ALA A 44 4.879 -6.812 2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.455 -8.770 3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.841 -9.050 1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.364 -9.807 2.480 1.00 0.00 H new ATOM 658 N PRO A 45 7.838 -8.032 3.060 1.00 0.00 N ATOM 659 CA PRO A 45 8.971 -7.632 3.905 1.00 0.00 C ATOM 660 C PRO A 45 9.638 -6.325 3.440 1.00 0.00 C ATOM 661 O PRO A 45 10.110 -5.549 4.270 1.00 0.00 O ATOM 662 CB PRO A 45 9.946 -8.815 3.874 1.00 0.00 C ATOM 663 CG PRO A 45 9.635 -9.504 2.547 1.00 0.00 C ATOM 664 CD PRO A 45 8.126 -9.309 2.423 1.00 0.00 C ATOM 0 HA PRO A 45 8.635 -7.412 4.918 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.983 -8.481 3.919 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.790 -9.485 4.720 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.173 -9.048 1.716 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.908 -10.559 2.563 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.817 -9.303 1.378 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.585 -10.120 2.911 1.00 0.00 H new ATOM 672 N VAL A 46 9.626 -6.035 2.132 1.00 0.00 N ATOM 673 CA VAL A 46 10.106 -4.757 1.574 1.00 0.00 C ATOM 674 C VAL A 46 9.239 -3.594 2.063 1.00 0.00 C ATOM 675 O VAL A 46 9.763 -2.604 2.573 1.00 0.00 O ATOM 676 CB VAL A 46 10.166 -4.823 0.031 1.00 0.00 C ATOM 677 CG1 VAL A 46 10.296 -3.441 -0.607 1.00 0.00 C ATOM 678 CG2 VAL A 46 11.323 -5.723 -0.408 1.00 0.00 C ATOM 0 H VAL A 46 9.281 -6.683 1.424 1.00 0.00 H new ATOM 0 HA VAL A 46 11.120 -4.579 1.931 1.00 0.00 H new ATOM 0 HB VAL A 46 9.222 -5.245 -0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.334 -3.543 -1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.437 -2.830 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.210 -2.962 -0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.359 -5.765 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.262 -5.319 -0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.174 -6.727 -0.011 1.00 0.00 H new ATOM 688 N LEU A 47 7.913 -3.729 1.974 1.00 0.00 N ATOM 689 CA LEU A 47 6.965 -2.733 2.476 1.00 0.00 C ATOM 690 C LEU A 47 6.993 -2.612 4.002 1.00 0.00 C ATOM 691 O LEU A 47 6.820 -1.512 4.515 1.00 0.00 O ATOM 692 CB LEU A 47 5.555 -3.084 1.979 1.00 0.00 C ATOM 693 CG LEU A 47 5.324 -2.696 0.510 1.00 0.00 C ATOM 694 CD1 LEU A 47 4.051 -3.367 0.016 1.00 0.00 C ATOM 695 CD2 LEU A 47 5.171 -1.181 0.343 1.00 0.00 C ATOM 0 H LEU A 47 7.464 -4.540 1.548 1.00 0.00 H new ATOM 0 HA LEU A 47 7.261 -1.758 2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.390 -4.155 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.819 -2.578 2.603 1.00 0.00 H new ATOM 0 HG LEU A 47 6.191 -3.022 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.878 -3.098 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.154 -4.449 0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.207 -3.036 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.009 -0.945 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.319 -0.835 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.076 -0.683 0.691 1.00 0.00 H new ATOM 707 N GLU A 48 7.251 -3.695 4.734 1.00 0.00 N ATOM 708 CA GLU A 48 7.384 -3.680 6.194 1.00 0.00 C ATOM 709 C GLU A 48 8.635 -2.907 6.655 1.00 0.00 C ATOM 710 O GLU A 48 8.561 -2.087 7.576 1.00 0.00 O ATOM 711 CB GLU A 48 7.380 -5.129 6.703 1.00 0.00 C ATOM 712 CG GLU A 48 7.231 -5.188 8.224 1.00 0.00 C ATOM 713 CD GLU A 48 7.138 -6.630 8.761 1.00 0.00 C ATOM 714 OE1 GLU A 48 7.974 -7.489 8.390 1.00 0.00 O ATOM 715 OE2 GLU A 48 6.240 -6.899 9.595 1.00 0.00 O ATOM 0 H GLU A 48 7.376 -4.621 4.326 1.00 0.00 H new ATOM 0 HA GLU A 48 6.537 -3.147 6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.563 -5.678 6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.306 -5.622 6.408 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.081 -4.687 8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.337 -4.637 8.518 1.00 0.00 H new ATOM 722 N GLU A 49 9.773 -3.089 5.976 1.00 0.00 N ATOM 723 CA GLU A 49 10.965 -2.261 6.187 1.00 0.00 C ATOM 724 C GLU A 49 10.705 -0.794 5.827 1.00 0.00 C ATOM 725 O GLU A 49 10.996 0.088 6.631 1.00 0.00 O ATOM 726 CB GLU A 49 12.150 -2.782 5.364 1.00 0.00 C ATOM 727 CG GLU A 49 12.811 -4.009 6.000 1.00 0.00 C ATOM 728 CD GLU A 49 14.021 -4.493 5.175 1.00 0.00 C ATOM 729 OE1 GLU A 49 14.809 -3.643 4.690 1.00 0.00 O ATOM 730 OE2 GLU A 49 14.209 -5.726 5.030 1.00 0.00 O ATOM 0 H GLU A 49 9.893 -3.812 5.267 1.00 0.00 H new ATOM 0 HA GLU A 49 11.208 -2.322 7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.808 -3.037 4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.890 -1.989 5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.134 -3.765 7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.081 -4.814 6.083 1.00 0.00 H new ATOM 737 N ILE A 50 10.108 -0.512 4.664 1.00 0.00 N ATOM 738 CA ILE A 50 9.782 0.862 4.250 1.00 0.00 C ATOM 739 C ILE A 50 8.818 1.521 5.252 1.00 0.00 C ATOM 740 O ILE A 50 9.031 2.670 5.630 1.00 0.00 O ATOM 741 CB ILE A 50 9.259 0.864 2.794 1.00 0.00 C ATOM 742 CG1 ILE A 50 10.428 0.540 1.831 1.00 0.00 C ATOM 743 CG2 ILE A 50 8.624 2.211 2.411 1.00 0.00 C ATOM 744 CD1 ILE A 50 10.011 0.226 0.392 1.00 0.00 C ATOM 0 H ILE A 50 9.837 -1.223 3.985 1.00 0.00 H new ATOM 0 HA ILE A 50 10.684 1.474 4.260 1.00 0.00 H new ATOM 0 HB ILE A 50 8.482 0.104 2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.114 1.387 1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.981 -0.312 2.228 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.271 2.167 1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.784 2.419 3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.366 3.003 2.506 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.897 0.012 -0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 50 9.351 -0.642 0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 50 9.487 1.083 -0.030 1.00 0.00 H new ATOM 756 N ALA A 51 7.825 0.792 5.767 1.00 0.00 N ATOM 757 CA ALA A 51 6.937 1.265 6.825 1.00 0.00 C ATOM 758 C ALA A 51 7.709 1.649 8.094 1.00 0.00 C ATOM 759 O ALA A 51 7.511 2.734 8.641 1.00 0.00 O ATOM 760 CB ALA A 51 5.917 0.167 7.150 1.00 0.00 C ATOM 0 H ALA A 51 7.615 -0.156 5.455 1.00 0.00 H new ATOM 0 HA ALA A 51 6.430 2.162 6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.250 0.512 7.940 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.335 -0.064 6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.441 -0.729 7.484 1.00 0.00 H new ATOM 766 N THR A 52 8.592 0.762 8.560 1.00 0.00 N ATOM 767 CA THR A 52 9.281 0.903 9.850 1.00 0.00 C ATOM 768 C THR A 52 10.413 1.940 9.793 1.00 0.00 C ATOM 769 O THR A 52 10.669 2.632 10.779 1.00 0.00 O ATOM 770 CB THR A 52 9.750 -0.481 10.332 1.00 0.00 C ATOM 771 OG1 THR A 52 8.646 -1.370 10.333 1.00 0.00 O ATOM 772 CG2 THR A 52 10.281 -0.472 11.765 1.00 0.00 C ATOM 0 H THR A 52 8.853 -0.082 8.050 1.00 0.00 H new ATOM 0 HA THR A 52 8.580 1.295 10.587 1.00 0.00 H new ATOM 0 HB THR A 52 10.548 -0.783 9.654 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.514 -1.729 9.431 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.595 -1.478 12.043 1.00 0.00 H new ATOM 0 HG22 THR A 52 11.132 0.206 11.833 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.495 -0.137 12.442 1.00 0.00 H new ATOM 780 N GLU A 53 11.066 2.100 8.637 1.00 0.00 N ATOM 781 CA GLU A 53 12.203 3.013 8.433 1.00 0.00 C ATOM 782 C GLU A 53 11.831 4.391 7.853 1.00 0.00 C ATOM 783 O GLU A 53 12.596 5.345 8.023 1.00 0.00 O ATOM 784 CB GLU A 53 13.254 2.332 7.542 1.00 0.00 C ATOM 785 CG GLU A 53 13.801 1.036 8.160 1.00 0.00 C ATOM 786 CD GLU A 53 15.062 0.562 7.416 1.00 0.00 C ATOM 787 OE1 GLU A 53 14.956 0.179 6.226 1.00 0.00 O ATOM 788 OE2 GLU A 53 16.165 0.569 8.015 1.00 0.00 O ATOM 0 H GLU A 53 10.814 1.586 7.793 1.00 0.00 H new ATOM 0 HA GLU A 53 12.604 3.218 9.426 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.812 2.109 6.571 1.00 0.00 H new ATOM 0 HB3 GLU A 53 14.079 3.023 7.366 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.035 1.200 9.212 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.037 0.259 8.121 1.00 0.00 H new ATOM 795 N ARG A 54 10.696 4.528 7.148 1.00 0.00 N ATOM 796 CA ARG A 54 10.232 5.784 6.508 1.00 0.00 C ATOM 797 C ARG A 54 8.966 6.365 7.157 1.00 0.00 C ATOM 798 O ARG A 54 8.325 7.233 6.568 1.00 0.00 O ATOM 799 CB ARG A 54 10.065 5.613 4.977 1.00 0.00 C ATOM 800 CG ARG A 54 11.213 4.925 4.208 1.00 0.00 C ATOM 801 CD ARG A 54 12.481 5.770 4.019 1.00 0.00 C ATOM 802 NE ARG A 54 13.140 6.085 5.296 1.00 0.00 N ATOM 803 CZ ARG A 54 14.099 6.961 5.509 1.00 0.00 C ATOM 804 NH1 ARG A 54 14.727 7.564 4.545 1.00 0.00 N ATOM 805 NH2 ARG A 54 14.438 7.254 6.727 1.00 0.00 N ATOM 0 H ARG A 54 10.053 3.750 7.000 1.00 0.00 H new ATOM 0 HA ARG A 54 11.018 6.519 6.679 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.153 5.044 4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.914 6.601 4.543 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.483 4.010 4.735 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.844 4.631 3.226 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.179 5.234 3.375 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.223 6.697 3.508 1.00 0.00 H new ATOM 0 HE ARG A 54 12.816 5.564 6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.483 7.366 3.575 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.464 8.236 4.758 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.962 6.806 7.510 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.180 7.932 6.901 1.00 0.00 H new ATOM 819 N ALA A 55 8.627 5.932 8.375 1.00 0.00 N ATOM 820 CA ALA A 55 7.453 6.374 9.146 1.00 0.00 C ATOM 821 C ALA A 55 7.339 7.907 9.311 1.00 0.00 C ATOM 822 O ALA A 55 6.238 8.449 9.441 1.00 0.00 O ATOM 823 CB ALA A 55 7.519 5.702 10.524 1.00 0.00 C ATOM 0 H ALA A 55 9.182 5.237 8.874 1.00 0.00 H new ATOM 0 HA ALA A 55 6.564 6.080 8.588 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.660 6.010 11.121 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.506 4.619 10.402 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.438 5.999 11.030 1.00 0.00 H new ATOM 829 N THR A 56 8.474 8.613 9.289 1.00 0.00 N ATOM 830 CA THR A 56 8.577 10.081 9.358 1.00 0.00 C ATOM 831 C THR A 56 8.026 10.801 8.120 1.00 0.00 C ATOM 832 O THR A 56 7.678 11.979 8.212 1.00 0.00 O ATOM 833 CB THR A 56 10.044 10.498 9.558 1.00 0.00 C ATOM 834 OG1 THR A 56 10.869 9.840 8.615 1.00 0.00 O ATOM 835 CG2 THR A 56 10.553 10.125 10.951 1.00 0.00 C ATOM 0 H THR A 56 9.386 8.162 9.220 1.00 0.00 H new ATOM 0 HA THR A 56 7.962 10.381 10.206 1.00 0.00 H new ATOM 0 HB THR A 56 10.086 11.580 9.432 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.801 10.113 8.749 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.593 10.436 11.054 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.948 10.627 11.706 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.482 9.046 11.088 1.00 0.00 H new ATOM 843 N ASP A 57 7.905 10.114 6.977 1.00 0.00 N ATOM 844 CA ASP A 57 7.327 10.647 5.735 1.00 0.00 C ATOM 845 C ASP A 57 6.059 9.894 5.299 1.00 0.00 C ATOM 846 O ASP A 57 5.034 10.510 5.015 1.00 0.00 O ATOM 847 CB ASP A 57 8.383 10.596 4.624 1.00 0.00 C ATOM 848 CG ASP A 57 7.966 11.499 3.455 1.00 0.00 C ATOM 849 OD1 ASP A 57 7.256 11.012 2.547 1.00 0.00 O ATOM 850 OD2 ASP A 57 8.339 12.697 3.465 1.00 0.00 O ATOM 0 H ASP A 57 8.214 9.146 6.887 1.00 0.00 H new ATOM 0 HA ASP A 57 7.028 11.678 5.925 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.348 10.917 5.015 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.505 9.571 4.275 1.00 0.00 H new ATOM 855 N LEU A 58 6.104 8.559 5.322 1.00 0.00 N ATOM 856 CA LEU A 58 5.035 7.668 4.872 1.00 0.00 C ATOM 857 C LEU A 58 4.214 7.149 6.056 1.00 0.00 C ATOM 858 O LEU A 58 4.748 6.905 7.138 1.00 0.00 O ATOM 859 CB LEU A 58 5.640 6.466 4.113 1.00 0.00 C ATOM 860 CG LEU A 58 6.417 6.783 2.822 1.00 0.00 C ATOM 861 CD1 LEU A 58 6.988 5.487 2.241 1.00 0.00 C ATOM 862 CD2 LEU A 58 5.524 7.414 1.757 1.00 0.00 C ATOM 0 H LEU A 58 6.918 8.051 5.668 1.00 0.00 H new ATOM 0 HA LEU A 58 4.379 8.236 4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.309 5.937 4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.831 5.779 3.863 1.00 0.00 H new ATOM 0 HG LEU A 58 7.206 7.487 3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.538 5.710 1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.660 5.028 2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.173 4.799 2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.113 7.621 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.715 6.727 1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.105 8.345 2.139 1.00 0.00 H new ATOM 874 N THR A 59 2.928 6.895 5.830 1.00 0.00 N ATOM 875 CA THR A 59 2.183 5.849 6.552 1.00 0.00 C ATOM 876 C THR A 59 1.916 4.719 5.563 1.00 0.00 C ATOM 877 O THR A 59 1.332 4.957 4.506 1.00 0.00 O ATOM 878 CB THR A 59 0.885 6.387 7.169 1.00 0.00 C ATOM 879 OG1 THR A 59 1.201 7.360 8.146 1.00 0.00 O ATOM 880 CG2 THR A 59 0.075 5.303 7.883 1.00 0.00 C ATOM 0 H THR A 59 2.368 7.402 5.145 1.00 0.00 H new ATOM 0 HA THR A 59 2.772 5.484 7.393 1.00 0.00 H new ATOM 0 HB THR A 59 0.296 6.792 6.346 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.374 7.707 8.541 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.832 5.741 8.300 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.193 4.522 7.172 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.672 4.873 8.687 1.00 0.00 H new ATOM 888 N VAL A 60 2.370 3.503 5.870 1.00 0.00 N ATOM 889 CA VAL A 60 2.258 2.346 4.965 1.00 0.00 C ATOM 890 C VAL A 60 1.164 1.402 5.453 1.00 0.00 C ATOM 891 O VAL A 60 1.188 0.933 6.593 1.00 0.00 O ATOM 892 CB VAL A 60 3.602 1.621 4.796 1.00 0.00 C ATOM 893 CG1 VAL A 60 3.494 0.403 3.869 1.00 0.00 C ATOM 894 CG2 VAL A 60 4.674 2.556 4.218 1.00 0.00 C ATOM 0 H VAL A 60 2.828 3.287 6.755 1.00 0.00 H new ATOM 0 HA VAL A 60 1.978 2.712 3.977 1.00 0.00 H new ATOM 0 HB VAL A 60 3.886 1.291 5.796 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.470 -0.075 3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.778 -0.307 4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.158 0.725 2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.612 2.012 4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.352 2.919 3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.820 3.402 4.890 1.00 0.00 H new ATOM 904 N ALA A 61 0.212 1.116 4.572 1.00 0.00 N ATOM 905 CA ALA A 61 -0.960 0.295 4.833 1.00 0.00 C ATOM 906 C ALA A 61 -1.113 -0.846 3.813 1.00 0.00 C ATOM 907 O ALA A 61 -0.525 -0.830 2.729 1.00 0.00 O ATOM 908 CB ALA A 61 -2.188 1.213 4.863 1.00 0.00 C ATOM 0 H ALA A 61 0.239 1.467 3.615 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.849 -0.199 5.798 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.081 0.619 5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.067 1.956 5.651 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.289 1.717 3.902 1.00 0.00 H new ATOM 914 N LYS A 62 -1.939 -1.833 4.158 1.00 0.00 N ATOM 915 CA LYS A 62 -2.257 -3.008 3.340 1.00 0.00 C ATOM 916 C LYS A 62 -3.764 -3.242 3.232 1.00 0.00 C ATOM 917 O LYS A 62 -4.510 -2.994 4.178 1.00 0.00 O ATOM 918 CB LYS A 62 -1.527 -4.239 3.905 1.00 0.00 C ATOM 919 CG LYS A 62 -0.164 -4.460 3.227 1.00 0.00 C ATOM 920 CD LYS A 62 0.584 -5.637 3.874 1.00 0.00 C ATOM 921 CE LYS A 62 1.841 -6.061 3.099 1.00 0.00 C ATOM 922 NZ LYS A 62 1.513 -6.692 1.794 1.00 0.00 N ATOM 0 H LYS A 62 -2.427 -1.838 5.054 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.907 -2.827 2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.382 -4.114 4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.148 -5.124 3.768 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.309 -4.655 2.165 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.437 -3.554 3.305 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.868 -5.363 4.890 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.091 -6.489 3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.472 -5.189 2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.419 -6.760 3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.352 -7.185 1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.739 -7.375 1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.218 -5.959 1.118 1.00 0.00 H new ATOM 936 N LEU A 63 -4.189 -3.766 2.086 1.00 0.00 N ATOM 937 CA LEU A 63 -5.532 -4.285 1.827 1.00 0.00 C ATOM 938 C LEU A 63 -5.415 -5.720 1.302 1.00 0.00 C ATOM 939 O LEU A 63 -4.840 -5.959 0.241 1.00 0.00 O ATOM 940 CB LEU A 63 -6.253 -3.328 0.855 1.00 0.00 C ATOM 941 CG LEU A 63 -7.671 -3.717 0.386 1.00 0.00 C ATOM 942 CD1 LEU A 63 -7.723 -4.869 -0.615 1.00 0.00 C ATOM 943 CD2 LEU A 63 -8.618 -4.071 1.530 1.00 0.00 C ATOM 0 H LEU A 63 -3.579 -3.845 1.273 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.134 -4.329 2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.314 -2.349 1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.627 -3.214 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.000 -2.803 -0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.760 -5.070 -0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.160 -4.600 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.286 -5.761 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.595 -4.334 1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.216 -4.918 2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.720 -3.214 2.196 1.00 0.00 H new ATOM 955 N ASP A 64 -5.962 -6.681 2.044 1.00 0.00 N ATOM 956 CA ASP A 64 -6.026 -8.079 1.613 1.00 0.00 C ATOM 957 C ASP A 64 -7.221 -8.295 0.664 1.00 0.00 C ATOM 958 O ASP A 64 -8.381 -8.175 1.074 1.00 0.00 O ATOM 959 CB ASP A 64 -6.137 -8.987 2.836 1.00 0.00 C ATOM 960 CG ASP A 64 -6.107 -10.457 2.403 1.00 0.00 C ATOM 961 OD1 ASP A 64 -5.006 -11.025 2.226 1.00 0.00 O ATOM 962 OD2 ASP A 64 -7.206 -11.024 2.220 1.00 0.00 O ATOM 0 H ASP A 64 -6.374 -6.514 2.962 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.114 -8.328 1.070 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.316 -8.785 3.524 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.062 -8.776 3.373 1.00 0.00 H new ATOM 967 N VAL A 65 -6.959 -8.600 -0.611 1.00 0.00 N ATOM 968 CA VAL A 65 -8.005 -8.674 -1.650 1.00 0.00 C ATOM 969 C VAL A 65 -8.938 -9.880 -1.500 1.00 0.00 C ATOM 970 O VAL A 65 -10.013 -9.898 -2.097 1.00 0.00 O ATOM 971 CB VAL A 65 -7.433 -8.618 -3.082 1.00 0.00 C ATOM 972 CG1 VAL A 65 -6.562 -7.373 -3.301 1.00 0.00 C ATOM 973 CG2 VAL A 65 -6.630 -9.851 -3.502 1.00 0.00 C ATOM 0 H VAL A 65 -6.021 -8.803 -0.956 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.606 -7.779 -1.489 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.322 -8.580 -3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.179 -7.372 -4.321 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.160 -6.477 -3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.727 -7.385 -2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.269 -9.720 -4.522 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.781 -9.979 -2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.267 -10.734 -3.453 1.00 0.00 H new ATOM 983 N ASP A 66 -8.544 -10.892 -0.722 1.00 0.00 N ATOM 984 CA ASP A 66 -9.332 -12.102 -0.475 1.00 0.00 C ATOM 985 C ASP A 66 -10.361 -11.913 0.658 1.00 0.00 C ATOM 986 O ASP A 66 -11.503 -12.364 0.550 1.00 0.00 O ATOM 987 CB ASP A 66 -8.370 -13.261 -0.180 1.00 0.00 C ATOM 988 CG ASP A 66 -9.040 -14.615 -0.438 1.00 0.00 C ATOM 989 OD1 ASP A 66 -9.029 -15.055 -1.613 1.00 0.00 O ATOM 990 OD2 ASP A 66 -9.547 -15.248 0.519 1.00 0.00 O ATOM 0 H ASP A 66 -7.648 -10.892 -0.235 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.917 -12.329 -1.366 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.481 -13.167 -0.804 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.039 -13.208 0.857 1.00 0.00 H new ATOM 995 N THR A 67 -9.971 -11.206 1.725 1.00 0.00 N ATOM 996 CA THR A 67 -10.793 -10.953 2.924 1.00 0.00 C ATOM 997 C THR A 67 -11.590 -9.648 2.865 1.00 0.00 C ATOM 998 O THR A 67 -12.640 -9.567 3.505 1.00 0.00 O ATOM 999 CB THR A 67 -9.950 -10.988 4.215 1.00 0.00 C ATOM 1000 OG1 THR A 67 -8.836 -10.145 4.151 1.00 0.00 O ATOM 1001 CG2 THR A 67 -9.452 -12.393 4.550 1.00 0.00 C ATOM 0 H THR A 67 -9.047 -10.779 1.784 1.00 0.00 H new ATOM 0 HA THR A 67 -11.515 -11.769 2.941 1.00 0.00 H new ATOM 0 HB THR A 67 -10.628 -10.642 4.996 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.106 -10.603 3.685 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.864 -12.362 5.467 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.305 -13.058 4.688 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.831 -12.763 3.734 1.00 0.00 H new ATOM 1009 N ASN A 68 -11.171 -8.653 2.067 1.00 0.00 N ATOM 1010 CA ASN A 68 -11.927 -7.413 1.829 1.00 0.00 C ATOM 1011 C ASN A 68 -11.960 -7.030 0.325 1.00 0.00 C ATOM 1012 O ASN A 68 -11.363 -6.019 -0.067 1.00 0.00 O ATOM 1013 CB ASN A 68 -11.339 -6.316 2.742 1.00 0.00 C ATOM 1014 CG ASN A 68 -11.532 -6.615 4.219 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -10.629 -7.058 4.916 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -12.710 -6.378 4.752 1.00 0.00 N ATOM 0 H ASN A 68 -10.285 -8.688 1.562 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.977 -7.551 2.088 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.275 -6.208 2.534 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.809 -5.361 2.505 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.868 -6.563 5.742 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.466 -6.009 4.175 1.00 0.00 H new ATOM 1023 N PRO A 69 -12.677 -7.787 -0.537 1.00 0.00 N ATOM 1024 CA PRO A 69 -12.647 -7.593 -1.995 1.00 0.00 C ATOM 1025 C PRO A 69 -13.256 -6.268 -2.481 1.00 0.00 C ATOM 1026 O PRO A 69 -12.869 -5.753 -3.531 1.00 0.00 O ATOM 1027 CB PRO A 69 -13.421 -8.778 -2.593 1.00 0.00 C ATOM 1028 CG PRO A 69 -13.437 -9.829 -1.487 1.00 0.00 C ATOM 1029 CD PRO A 69 -13.458 -8.979 -0.221 1.00 0.00 C ATOM 0 HA PRO A 69 -11.607 -7.547 -2.318 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -14.432 -8.487 -2.877 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -12.934 -9.156 -3.492 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.311 -10.476 -1.555 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.559 -10.474 -1.528 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.478 -8.717 0.058 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.026 -9.519 0.621 1.00 0.00 H new ATOM 1037 N GLU A 70 -14.197 -5.693 -1.723 1.00 0.00 N ATOM 1038 CA GLU A 70 -14.923 -4.476 -2.120 1.00 0.00 C ATOM 1039 C GLU A 70 -13.986 -3.266 -2.239 1.00 0.00 C ATOM 1040 O GLU A 70 -14.132 -2.454 -3.153 1.00 0.00 O ATOM 1041 CB GLU A 70 -16.042 -4.174 -1.108 1.00 0.00 C ATOM 1042 CG GLU A 70 -17.128 -5.259 -1.026 1.00 0.00 C ATOM 1043 CD GLU A 70 -17.905 -5.411 -2.349 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -18.813 -4.588 -2.621 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -17.621 -6.358 -3.120 1.00 0.00 O ATOM 0 H GLU A 70 -14.479 -6.058 -0.813 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.358 -4.658 -3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.598 -4.045 -0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.510 -3.226 -1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.667 -6.212 -0.766 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -17.824 -5.013 -0.224 1.00 0.00 H new ATOM 1052 N THR A 71 -12.973 -3.182 -1.371 1.00 0.00 N ATOM 1053 CA THR A 71 -11.946 -2.128 -1.394 1.00 0.00 C ATOM 1054 C THR A 71 -11.110 -2.194 -2.674 1.00 0.00 C ATOM 1055 O THR A 71 -10.868 -1.172 -3.317 1.00 0.00 O ATOM 1056 CB THR A 71 -11.005 -2.238 -0.182 1.00 0.00 C ATOM 1057 OG1 THR A 71 -11.659 -2.714 0.981 1.00 0.00 O ATOM 1058 CG2 THR A 71 -10.371 -0.898 0.180 1.00 0.00 C ATOM 0 H THR A 71 -12.839 -3.856 -0.617 1.00 0.00 H new ATOM 0 HA THR A 71 -12.474 -1.175 -1.356 1.00 0.00 H new ATOM 0 HB THR A 71 -10.242 -2.950 -0.496 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.661 -3.694 0.977 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.715 -1.027 1.041 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.791 -0.530 -0.666 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.153 -0.179 0.424 1.00 0.00 H new ATOM 1066 N ALA A 72 -10.712 -3.405 -3.090 1.00 0.00 N ATOM 1067 CA ALA A 72 -9.953 -3.633 -4.321 1.00 0.00 C ATOM 1068 C ALA A 72 -10.748 -3.232 -5.569 1.00 0.00 C ATOM 1069 O ALA A 72 -10.197 -2.616 -6.485 1.00 0.00 O ATOM 1070 CB ALA A 72 -9.519 -5.102 -4.362 1.00 0.00 C ATOM 0 H ALA A 72 -10.912 -4.261 -2.573 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.068 -2.997 -4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.952 -5.289 -5.274 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.895 -5.321 -3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -10.401 -5.743 -4.346 1.00 0.00 H new ATOM 1076 N ARG A 73 -12.057 -3.524 -5.582 1.00 0.00 N ATOM 1077 CA ARG A 73 -12.945 -3.149 -6.686 1.00 0.00 C ATOM 1078 C ARG A 73 -13.213 -1.647 -6.729 1.00 0.00 C ATOM 1079 O ARG A 73 -13.148 -1.064 -7.809 1.00 0.00 O ATOM 1080 CB ARG A 73 -14.236 -3.992 -6.629 1.00 0.00 C ATOM 1081 CG ARG A 73 -15.050 -3.932 -7.936 1.00 0.00 C ATOM 1082 CD ARG A 73 -16.023 -2.744 -8.050 1.00 0.00 C ATOM 1083 NE ARG A 73 -16.457 -2.542 -9.448 1.00 0.00 N ATOM 1084 CZ ARG A 73 -15.763 -1.966 -10.419 1.00 0.00 C ATOM 1085 NH1 ARG A 73 -14.599 -1.418 -10.217 1.00 0.00 N ATOM 1086 NH2 ARG A 73 -16.223 -1.937 -11.636 1.00 0.00 N ATOM 0 H ARG A 73 -12.526 -4.026 -4.828 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.443 -3.374 -7.627 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.977 -5.029 -6.415 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.856 -3.642 -5.804 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.356 -3.894 -8.776 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.618 -4.857 -8.034 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.893 -2.921 -7.418 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.541 -1.839 -7.682 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.388 -2.881 -9.691 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -14.189 -1.422 -9.283 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.098 -0.985 -10.993 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.126 -2.360 -11.850 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.681 -1.491 -12.376 1.00 0.00 H new ATOM 1100 N ASN A 74 -13.505 -1.012 -5.593 1.00 0.00 N ATOM 1101 CA ASN A 74 -13.946 0.388 -5.546 1.00 0.00 C ATOM 1102 C ASN A 74 -12.866 1.373 -6.049 1.00 0.00 C ATOM 1103 O ASN A 74 -13.188 2.379 -6.686 1.00 0.00 O ATOM 1104 CB ASN A 74 -14.395 0.705 -4.104 1.00 0.00 C ATOM 1105 CG ASN A 74 -15.135 2.031 -3.956 1.00 0.00 C ATOM 1106 OD1 ASN A 74 -15.619 2.632 -4.906 1.00 0.00 O ATOM 1107 ND2 ASN A 74 -15.293 2.516 -2.749 1.00 0.00 N ATOM 0 H ASN A 74 -13.443 -1.453 -4.675 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.785 0.519 -6.230 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.040 -0.100 -3.751 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.518 0.717 -3.457 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.813 3.383 -2.612 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.896 2.027 -1.947 1.00 0.00 H new ATOM 1114 N PHE A 75 -11.583 1.059 -5.827 1.00 0.00 N ATOM 1115 CA PHE A 75 -10.440 1.862 -6.289 1.00 0.00 C ATOM 1116 C PHE A 75 -9.797 1.337 -7.593 1.00 0.00 C ATOM 1117 O PHE A 75 -8.752 1.836 -8.010 1.00 0.00 O ATOM 1118 CB PHE A 75 -9.454 2.049 -5.121 1.00 0.00 C ATOM 1119 CG PHE A 75 -10.047 2.796 -3.935 1.00 0.00 C ATOM 1120 CD1 PHE A 75 -10.389 4.157 -4.059 1.00 0.00 C ATOM 1121 CD2 PHE A 75 -10.280 2.130 -2.717 1.00 0.00 C ATOM 1122 CE1 PHE A 75 -10.974 4.841 -2.977 1.00 0.00 C ATOM 1123 CE2 PHE A 75 -10.871 2.812 -1.638 1.00 0.00 C ATOM 1124 CZ PHE A 75 -11.221 4.167 -1.768 1.00 0.00 C ATOM 0 H PHE A 75 -11.304 0.224 -5.312 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.800 2.847 -6.584 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.109 1.070 -4.787 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.578 2.590 -5.479 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.202 4.677 -4.987 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.004 1.091 -2.611 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.233 5.885 -3.075 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.056 2.294 -0.709 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.679 4.689 -0.941 1.00 0.00 H new ATOM 1134 N GLN A 76 -10.417 0.343 -8.248 1.00 0.00 N ATOM 1135 CA GLN A 76 -9.942 -0.331 -9.468 1.00 0.00 C ATOM 1136 C GLN A 76 -8.476 -0.807 -9.373 1.00 0.00 C ATOM 1137 O GLN A 76 -7.626 -0.500 -10.214 1.00 0.00 O ATOM 1138 CB GLN A 76 -10.236 0.532 -10.711 1.00 0.00 C ATOM 1139 CG GLN A 76 -10.132 -0.258 -12.033 1.00 0.00 C ATOM 1140 CD GLN A 76 -11.341 -1.141 -12.350 1.00 0.00 C ATOM 1141 OE1 GLN A 76 -12.473 -0.892 -11.954 1.00 0.00 O ATOM 1142 NE2 GLN A 76 -11.157 -2.209 -13.098 1.00 0.00 N ATOM 0 H GLN A 76 -11.309 -0.032 -7.925 1.00 0.00 H new ATOM 0 HA GLN A 76 -10.510 -1.255 -9.577 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.237 0.954 -10.625 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.538 1.369 -10.739 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -9.991 0.448 -12.852 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.241 -0.885 -11.996 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.224 -2.437 -13.440 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.948 -2.808 -13.335 1.00 0.00 H new ATOM 1151 N VAL A 77 -8.164 -1.556 -8.319 1.00 0.00 N ATOM 1152 CA VAL A 77 -6.838 -2.106 -8.007 1.00 0.00 C ATOM 1153 C VAL A 77 -6.969 -3.591 -7.636 1.00 0.00 C ATOM 1154 O VAL A 77 -6.480 -4.066 -6.611 1.00 0.00 O ATOM 1155 CB VAL A 77 -6.129 -1.258 -6.935 1.00 0.00 C ATOM 1156 CG1 VAL A 77 -5.571 0.055 -7.491 1.00 0.00 C ATOM 1157 CG2 VAL A 77 -7.032 -0.908 -5.755 1.00 0.00 C ATOM 0 H VAL A 77 -8.862 -1.812 -7.620 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.198 -2.056 -8.888 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.312 -1.895 -6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.083 0.611 -6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.847 -0.161 -8.277 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.386 0.651 -7.902 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.474 -0.310 -5.035 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.891 -0.339 -6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.376 -1.825 -5.276 1.00 0.00 H new ATOM 1167 N VAL A 78 -7.698 -4.324 -8.483 1.00 0.00 N ATOM 1168 CA VAL A 78 -8.036 -5.748 -8.302 1.00 0.00 C ATOM 1169 C VAL A 78 -6.886 -6.706 -8.660 1.00 0.00 C ATOM 1170 O VAL A 78 -6.856 -7.837 -8.170 1.00 0.00 O ATOM 1171 CB VAL A 78 -9.320 -6.111 -9.076 1.00 0.00 C ATOM 1172 CG1 VAL A 78 -10.536 -5.358 -8.525 1.00 0.00 C ATOM 1173 CG2 VAL A 78 -9.222 -5.844 -10.585 1.00 0.00 C ATOM 0 H VAL A 78 -8.084 -3.934 -9.343 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.215 -5.882 -7.235 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.443 -7.184 -8.931 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.424 -5.636 -9.092 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.680 -5.617 -7.476 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.370 -4.284 -8.614 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.160 -6.122 -11.065 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.027 -4.785 -10.755 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.409 -6.435 -11.007 1.00 0.00 H new ATOM 1183 N SER A 79 -5.923 -6.258 -9.473 1.00 0.00 N ATOM 1184 CA SER A 79 -4.646 -6.951 -9.725 1.00 0.00 C ATOM 1185 C SER A 79 -3.720 -6.865 -8.504 1.00 0.00 C ATOM 1186 O SER A 79 -3.835 -5.931 -7.708 1.00 0.00 O ATOM 1187 CB SER A 79 -3.938 -6.348 -10.945 1.00 0.00 C ATOM 1188 OG SER A 79 -4.767 -6.433 -12.094 1.00 0.00 O ATOM 0 H SER A 79 -6.008 -5.382 -9.989 1.00 0.00 H new ATOM 0 HA SER A 79 -4.873 -7.999 -9.920 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.685 -5.306 -10.748 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.001 -6.874 -11.126 1.00 0.00 H new ATOM 0 HG SER A 79 -4.301 -6.043 -12.863 1.00 0.00 H new ATOM 1194 N ILE A 80 -2.779 -7.805 -8.353 1.00 0.00 N ATOM 1195 CA ILE A 80 -1.902 -7.909 -7.171 1.00 0.00 C ATOM 1196 C ILE A 80 -0.452 -8.337 -7.497 1.00 0.00 C ATOM 1197 O ILE A 80 -0.248 -9.108 -8.439 1.00 0.00 O ATOM 1198 CB ILE A 80 -2.496 -8.850 -6.086 1.00 0.00 C ATOM 1199 CG1 ILE A 80 -2.509 -10.362 -6.419 1.00 0.00 C ATOM 1200 CG2 ILE A 80 -3.874 -8.388 -5.592 1.00 0.00 C ATOM 1201 CD1 ILE A 80 -3.305 -10.796 -7.656 1.00 0.00 C ATOM 0 H ILE A 80 -2.600 -8.525 -9.053 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.853 -6.893 -6.778 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.776 -8.754 -5.273 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.477 -10.689 -6.548 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.907 -10.896 -5.556 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.241 -9.082 -4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.790 -7.391 -5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.571 -8.363 -6.430 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.232 -11.877 -7.775 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.351 -10.515 -7.533 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.899 -10.305 -8.541 1.00 0.00 H new ATOM 1213 N PRO A 81 0.554 -7.890 -6.711 1.00 0.00 N ATOM 1214 CA PRO A 81 0.469 -6.794 -5.741 1.00 0.00 C ATOM 1215 C PRO A 81 0.336 -5.447 -6.465 1.00 0.00 C ATOM 1216 O PRO A 81 1.058 -5.201 -7.433 1.00 0.00 O ATOM 1217 CB PRO A 81 1.769 -6.854 -4.931 1.00 0.00 C ATOM 1218 CG PRO A 81 2.769 -7.485 -5.898 1.00 0.00 C ATOM 1219 CD PRO A 81 1.910 -8.419 -6.753 1.00 0.00 C ATOM 0 HA PRO A 81 -0.404 -6.891 -5.096 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.090 -5.862 -4.614 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.651 -7.454 -4.029 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.267 -6.731 -6.507 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.548 -8.032 -5.367 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.280 -8.456 -7.778 1.00 0.00 H new ATOM 0 HD3 PRO A 81 1.941 -9.437 -6.366 1.00 0.00 H new ATOM 1227 N THR A 82 -0.550 -4.570 -5.990 1.00 0.00 N ATOM 1228 CA THR A 82 -0.756 -3.223 -6.554 1.00 0.00 C ATOM 1229 C THR A 82 -0.667 -2.168 -5.460 1.00 0.00 C ATOM 1230 O THR A 82 -1.438 -2.180 -4.503 1.00 0.00 O ATOM 1231 CB THR A 82 -2.087 -3.096 -7.308 1.00 0.00 C ATOM 1232 OG1 THR A 82 -2.112 -3.997 -8.388 1.00 0.00 O ATOM 1233 CG2 THR A 82 -2.302 -1.713 -7.925 1.00 0.00 C ATOM 0 H THR A 82 -1.155 -4.772 -5.194 1.00 0.00 H new ATOM 0 HA THR A 82 0.040 -3.059 -7.280 1.00 0.00 H new ATOM 0 HB THR A 82 -2.861 -3.293 -6.566 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.930 -4.535 -8.346 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.261 -1.691 -8.443 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.297 -0.959 -7.138 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.501 -1.503 -8.634 1.00 0.00 H new ATOM 1241 N LEU A 83 0.262 -1.230 -5.619 1.00 0.00 N ATOM 1242 CA LEU A 83 0.526 -0.141 -4.692 1.00 0.00 C ATOM 1243 C LEU A 83 -0.094 1.150 -5.240 1.00 0.00 C ATOM 1244 O LEU A 83 0.120 1.500 -6.403 1.00 0.00 O ATOM 1245 CB LEU A 83 2.039 0.032 -4.460 1.00 0.00 C ATOM 1246 CG LEU A 83 2.799 -1.142 -3.805 1.00 0.00 C ATOM 1247 CD1 LEU A 83 2.959 -2.392 -4.680 1.00 0.00 C ATOM 1248 CD2 LEU A 83 4.215 -0.671 -3.479 1.00 0.00 C ATOM 0 H LEU A 83 0.876 -1.210 -6.433 1.00 0.00 H new ATOM 0 HA LEU A 83 0.074 -0.375 -3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.505 0.239 -5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.185 0.916 -3.839 1.00 0.00 H new ATOM 0 HG LEU A 83 2.201 -1.424 -2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.506 -3.156 -4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.975 -2.775 -4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.510 -2.135 -5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.771 -1.485 -3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.717 -0.365 -4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.168 0.174 -2.792 1.00 0.00 H new ATOM 1260 N ILE A 84 -0.819 1.877 -4.393 1.00 0.00 N ATOM 1261 CA ILE A 84 -1.347 3.220 -4.673 1.00 0.00 C ATOM 1262 C ILE A 84 -0.817 4.206 -3.620 1.00 0.00 C ATOM 1263 O ILE A 84 -0.900 3.961 -2.414 1.00 0.00 O ATOM 1264 CB ILE A 84 -2.894 3.188 -4.798 1.00 0.00 C ATOM 1265 CG1 ILE A 84 -3.497 4.537 -5.252 1.00 0.00 C ATOM 1266 CG2 ILE A 84 -3.566 2.739 -3.499 1.00 0.00 C ATOM 1267 CD1 ILE A 84 -3.184 4.880 -6.713 1.00 0.00 C ATOM 0 H ILE A 84 -1.066 1.541 -3.462 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.991 3.576 -5.640 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.099 2.453 -5.577 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.578 4.508 -5.117 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.117 5.332 -4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.648 2.732 -3.633 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.225 1.736 -3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.304 3.429 -2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.636 5.839 -6.967 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.104 4.941 -6.849 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.588 4.105 -7.363 1.00 0.00 H new ATOM 1279 N LEU A 85 -0.238 5.313 -4.082 1.00 0.00 N ATOM 1280 CA LEU A 85 0.348 6.363 -3.250 1.00 0.00 C ATOM 1281 C LEU A 85 -0.529 7.618 -3.282 1.00 0.00 C ATOM 1282 O LEU A 85 -0.827 8.141 -4.357 1.00 0.00 O ATOM 1283 CB LEU A 85 1.780 6.636 -3.747 1.00 0.00 C ATOM 1284 CG LEU A 85 2.586 7.639 -2.905 1.00 0.00 C ATOM 1285 CD1 LEU A 85 2.918 7.132 -1.504 1.00 0.00 C ATOM 1286 CD2 LEU A 85 3.902 7.956 -3.615 1.00 0.00 C ATOM 0 H LEU A 85 -0.161 5.510 -5.080 1.00 0.00 H new ATOM 0 HA LEU A 85 0.398 6.045 -2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.323 5.692 -3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.728 7.005 -4.771 1.00 0.00 H new ATOM 0 HG LEU A 85 1.956 8.522 -2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.487 7.891 -0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.994 6.922 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.510 6.220 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.475 8.667 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.478 7.039 -3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.693 8.388 -4.594 1.00 0.00 H new ATOM 1298 N PHE A 86 -0.882 8.125 -2.102 1.00 0.00 N ATOM 1299 CA PHE A 86 -1.584 9.392 -1.885 1.00 0.00 C ATOM 1300 C PHE A 86 -0.655 10.376 -1.158 1.00 0.00 C ATOM 1301 O PHE A 86 0.116 9.957 -0.295 1.00 0.00 O ATOM 1302 CB PHE A 86 -2.870 9.154 -1.073 1.00 0.00 C ATOM 1303 CG PHE A 86 -3.804 8.080 -1.609 1.00 0.00 C ATOM 1304 CD1 PHE A 86 -3.633 6.740 -1.212 1.00 0.00 C ATOM 1305 CD2 PHE A 86 -4.874 8.416 -2.461 1.00 0.00 C ATOM 1306 CE1 PHE A 86 -4.527 5.751 -1.656 1.00 0.00 C ATOM 1307 CE2 PHE A 86 -5.753 7.421 -2.926 1.00 0.00 C ATOM 1308 CZ PHE A 86 -5.582 6.085 -2.521 1.00 0.00 C ATOM 0 H PHE A 86 -0.677 7.641 -1.228 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.865 9.820 -2.847 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.589 8.889 -0.054 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.421 10.093 -1.018 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.812 6.471 -0.564 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -5.021 9.444 -2.759 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.402 4.729 -1.330 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.560 7.683 -3.594 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.258 5.320 -2.873 1.00 0.00 H new ATOM 1318 N LYS A 87 -0.728 11.677 -1.472 1.00 0.00 N ATOM 1319 CA LYS A 87 0.160 12.707 -0.875 1.00 0.00 C ATOM 1320 C LYS A 87 -0.537 13.626 0.142 1.00 0.00 C ATOM 1321 O LYS A 87 0.088 14.079 1.098 1.00 0.00 O ATOM 1322 CB LYS A 87 0.833 13.481 -2.022 1.00 0.00 C ATOM 1323 CG LYS A 87 2.108 14.214 -1.577 1.00 0.00 C ATOM 1324 CD LYS A 87 2.835 14.839 -2.780 1.00 0.00 C ATOM 1325 CE LYS A 87 4.201 15.430 -2.399 1.00 0.00 C ATOM 1326 NZ LYS A 87 4.081 16.646 -1.548 1.00 0.00 N ATOM 0 H LYS A 87 -1.398 12.053 -2.143 1.00 0.00 H new ATOM 0 HA LYS A 87 0.918 12.204 -0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.080 12.788 -2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.127 14.204 -2.430 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.852 14.992 -0.858 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.773 13.517 -1.068 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.973 14.081 -3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.211 15.622 -3.211 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.784 14.676 -1.869 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.751 15.679 -3.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.030 17.005 -1.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.549 17.377 -2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.580 16.406 -0.668 1.00 0.00 H new ATOM 1340 N ASP A 88 -1.837 13.849 -0.046 1.00 0.00 N ATOM 1341 CA ASP A 88 -2.727 14.661 0.810 1.00 0.00 C ATOM 1342 C ASP A 88 -4.172 14.107 0.744 1.00 0.00 C ATOM 1343 O ASP A 88 -5.143 14.834 0.530 1.00 0.00 O ATOM 1344 CB ASP A 88 -2.617 16.135 0.370 1.00 0.00 C ATOM 1345 CG ASP A 88 -3.420 17.118 1.244 1.00 0.00 C ATOM 1346 OD1 ASP A 88 -3.376 17.006 2.493 1.00 0.00 O ATOM 1347 OD2 ASP A 88 -4.046 18.052 0.685 1.00 0.00 O ATOM 0 H ASP A 88 -2.334 13.449 -0.842 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.428 14.605 1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.567 16.429 0.383 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.959 16.221 -0.661 1.00 0.00 H new ATOM 1352 N GLY A 89 -4.296 12.772 0.752 1.00 0.00 N ATOM 1353 CA GLY A 89 -5.516 12.029 0.405 1.00 0.00 C ATOM 1354 C GLY A 89 -5.891 12.048 -1.088 1.00 0.00 C ATOM 1355 O GLY A 89 -6.789 11.315 -1.495 1.00 0.00 O ATOM 0 H GLY A 89 -3.523 12.159 1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.393 10.993 0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.348 12.439 0.978 1.00 0.00 H new ATOM 1359 N GLN A 90 -5.180 12.816 -1.921 1.00 0.00 N ATOM 1360 CA GLN A 90 -5.248 12.747 -3.386 1.00 0.00 C ATOM 1361 C GLN A 90 -4.138 11.826 -3.939 1.00 0.00 C ATOM 1362 O GLN A 90 -3.010 11.881 -3.431 1.00 0.00 O ATOM 1363 CB GLN A 90 -5.217 14.159 -4.002 1.00 0.00 C ATOM 1364 CG GLN A 90 -3.922 14.956 -3.748 1.00 0.00 C ATOM 1365 CD GLN A 90 -3.943 16.367 -4.341 1.00 0.00 C ATOM 1366 OE1 GLN A 90 -4.895 16.822 -4.963 1.00 0.00 O ATOM 1367 NE2 GLN A 90 -2.879 17.127 -4.173 1.00 0.00 N ATOM 0 H GLN A 90 -4.524 13.522 -1.587 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.200 12.302 -3.677 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.366 14.072 -5.078 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.059 14.729 -3.608 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.753 15.025 -2.673 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.079 14.407 -4.168 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -2.074 16.770 -3.659 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.861 18.072 -4.557 1.00 0.00 H new ATOM 1376 N PRO A 91 -4.425 10.969 -4.941 1.00 0.00 N ATOM 1377 CA PRO A 91 -3.459 10.014 -5.484 1.00 0.00 C ATOM 1378 C PRO A 91 -2.392 10.700 -6.350 1.00 0.00 C ATOM 1379 O PRO A 91 -2.673 11.675 -7.052 1.00 0.00 O ATOM 1380 CB PRO A 91 -4.284 8.999 -6.279 1.00 0.00 C ATOM 1381 CG PRO A 91 -5.483 9.821 -6.749 1.00 0.00 C ATOM 1382 CD PRO A 91 -5.720 10.783 -5.585 1.00 0.00 C ATOM 0 HA PRO A 91 -2.895 9.527 -4.689 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.721 8.591 -7.118 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.591 8.156 -5.660 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.268 10.354 -7.675 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.354 9.193 -6.937 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.118 11.733 -5.940 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.448 10.374 -4.884 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.166 10.168 -6.316 1.00 0.00 N ATOM 1391 CA VAL A 92 0.007 10.708 -7.036 1.00 0.00 C ATOM 1392 C VAL A 92 0.828 9.665 -7.807 1.00 0.00 C ATOM 1393 O VAL A 92 1.487 10.037 -8.780 1.00 0.00 O ATOM 1394 CB VAL A 92 0.933 11.503 -6.089 1.00 0.00 C ATOM 1395 CG1 VAL A 92 0.251 12.783 -5.593 1.00 0.00 C ATOM 1396 CG2 VAL A 92 1.418 10.695 -4.878 1.00 0.00 C ATOM 0 H VAL A 92 -0.950 9.330 -5.776 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.421 11.373 -7.786 1.00 0.00 H new ATOM 0 HB VAL A 92 1.808 11.751 -6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.927 13.321 -4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.000 13.415 -6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.659 12.524 -5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.063 11.319 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.559 10.367 -4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.976 9.824 -5.222 1.00 0.00 H new ATOM 1406 N LYS A 93 0.801 8.378 -7.421 1.00 0.00 N ATOM 1407 CA LYS A 93 1.561 7.303 -8.092 1.00 0.00 C ATOM 1408 C LYS A 93 0.891 5.935 -7.907 1.00 0.00 C ATOM 1409 O LYS A 93 0.361 5.647 -6.836 1.00 0.00 O ATOM 1410 CB LYS A 93 3.007 7.299 -7.551 1.00 0.00 C ATOM 1411 CG LYS A 93 3.985 6.468 -8.395 1.00 0.00 C ATOM 1412 CD LYS A 93 5.365 6.447 -7.723 1.00 0.00 C ATOM 1413 CE LYS A 93 6.340 5.529 -8.465 1.00 0.00 C ATOM 1414 NZ LYS A 93 7.106 6.220 -9.529 1.00 0.00 N ATOM 0 H LYS A 93 0.248 8.049 -6.629 1.00 0.00 H new ATOM 0 HA LYS A 93 1.578 7.496 -9.165 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.368 8.326 -7.500 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.002 6.912 -6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.609 5.451 -8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.065 6.890 -9.397 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.770 7.458 -7.691 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.263 6.112 -6.691 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.038 5.097 -7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.784 4.702 -8.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.721 5.536 -10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.446 6.639 -10.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.688 6.971 -9.106 1.00 0.00 H new ATOM 1428 N ARG A 94 0.952 5.086 -8.936 1.00 0.00 N ATOM 1429 CA ARG A 94 0.472 3.691 -8.962 1.00 0.00 C ATOM 1430 C ARG A 94 1.568 2.747 -9.479 1.00 0.00 C ATOM 1431 O ARG A 94 2.259 3.078 -10.443 1.00 0.00 O ATOM 1432 CB ARG A 94 -0.811 3.632 -9.810 1.00 0.00 C ATOM 1433 CG ARG A 94 -1.441 2.232 -9.903 1.00 0.00 C ATOM 1434 CD ARG A 94 -2.746 2.302 -10.707 1.00 0.00 C ATOM 1435 NE ARG A 94 -3.303 0.957 -10.957 1.00 0.00 N ATOM 1436 CZ ARG A 94 -4.574 0.600 -10.920 1.00 0.00 C ATOM 1437 NH1 ARG A 94 -5.538 1.426 -10.637 1.00 0.00 N ATOM 1438 NH2 ARG A 94 -4.929 -0.629 -11.153 1.00 0.00 N ATOM 0 H ARG A 94 1.361 5.365 -9.828 1.00 0.00 H new ATOM 0 HA ARG A 94 0.234 3.352 -7.954 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.544 4.321 -9.389 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.584 3.984 -10.816 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.746 1.541 -10.380 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.639 1.845 -8.903 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.476 2.904 -10.166 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -2.562 2.803 -11.658 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.632 0.223 -11.183 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.329 2.403 -10.430 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.503 1.097 -10.622 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.222 -1.332 -11.368 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.915 -0.890 -11.121 1.00 0.00 H new ATOM 1452 N ILE A 95 1.720 1.583 -8.845 1.00 0.00 N ATOM 1453 CA ILE A 95 2.691 0.526 -9.195 1.00 0.00 C ATOM 1454 C ILE A 95 1.976 -0.835 -9.152 1.00 0.00 C ATOM 1455 O ILE A 95 1.171 -1.063 -8.253 1.00 0.00 O ATOM 1456 CB ILE A 95 3.909 0.525 -8.227 1.00 0.00 C ATOM 1457 CG1 ILE A 95 4.452 1.940 -7.891 1.00 0.00 C ATOM 1458 CG2 ILE A 95 5.038 -0.354 -8.802 1.00 0.00 C ATOM 1459 CD1 ILE A 95 5.500 1.962 -6.770 1.00 0.00 C ATOM 0 H ILE A 95 1.149 1.333 -8.038 1.00 0.00 H new ATOM 0 HA ILE A 95 3.074 0.718 -10.197 1.00 0.00 H new ATOM 0 HB ILE A 95 3.547 0.111 -7.286 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.890 2.372 -8.791 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.617 2.579 -7.605 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.887 -0.349 -8.118 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.677 -1.375 -8.925 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.349 0.040 -9.769 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.827 2.987 -6.598 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.063 1.562 -5.855 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.356 1.352 -7.060 1.00 0.00 H new ATOM 1471 N VAL A 96 2.272 -1.760 -10.068 1.00 0.00 N ATOM 1472 CA VAL A 96 1.838 -3.173 -9.983 1.00 0.00 C ATOM 1473 C VAL A 96 2.998 -4.127 -10.292 1.00 0.00 C ATOM 1474 O VAL A 96 3.835 -3.848 -11.154 1.00 0.00 O ATOM 1475 CB VAL A 96 0.560 -3.451 -10.810 1.00 0.00 C ATOM 1476 CG1 VAL A 96 0.659 -2.952 -12.260 1.00 0.00 C ATOM 1477 CG2 VAL A 96 0.153 -4.929 -10.848 1.00 0.00 C ATOM 0 H VAL A 96 2.825 -1.556 -10.901 1.00 0.00 H new ATOM 0 HA VAL A 96 1.547 -3.371 -8.951 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.206 -2.888 -10.278 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.269 -3.177 -12.786 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.826 -1.875 -12.264 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.490 -3.450 -12.760 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.751 -5.042 -11.446 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.957 -5.517 -11.291 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.037 -5.280 -9.834 1.00 0.00 H new ATOM 1487 N GLY A 97 3.052 -5.248 -9.568 1.00 0.00 N ATOM 1488 CA GLY A 97 4.162 -6.207 -9.573 1.00 0.00 C ATOM 1489 C GLY A 97 5.212 -5.914 -8.490 1.00 0.00 C ATOM 1490 O GLY A 97 5.410 -4.768 -8.080 1.00 0.00 O ATOM 0 H GLY A 97 2.297 -5.523 -8.939 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.767 -7.212 -9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.643 -6.193 -10.551 1.00 0.00 H new ATOM 1494 N ALA A 98 5.870 -6.968 -8.001 1.00 0.00 N ATOM 1495 CA ALA A 98 6.826 -6.897 -6.894 1.00 0.00 C ATOM 1496 C ALA A 98 8.230 -6.433 -7.334 1.00 0.00 C ATOM 1497 O ALA A 98 8.709 -6.799 -8.412 1.00 0.00 O ATOM 1498 CB ALA A 98 6.877 -8.267 -6.211 1.00 0.00 C ATOM 0 H ALA A 98 5.751 -7.911 -8.370 1.00 0.00 H new ATOM 0 HA ALA A 98 6.483 -6.138 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.585 -8.234 -5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.887 -8.522 -5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.196 -9.021 -6.931 1.00 0.00 H new ATOM 1504 N LYS A 99 8.903 -5.668 -6.463 1.00 0.00 N ATOM 1505 CA LYS A 99 10.310 -5.236 -6.591 1.00 0.00 C ATOM 1506 C LYS A 99 11.057 -5.419 -5.262 1.00 0.00 C ATOM 1507 O LYS A 99 10.422 -5.499 -4.207 1.00 0.00 O ATOM 1508 CB LYS A 99 10.390 -3.779 -7.096 1.00 0.00 C ATOM 1509 CG LYS A 99 9.656 -3.567 -8.431 1.00 0.00 C ATOM 1510 CD LYS A 99 9.896 -2.168 -9.014 1.00 0.00 C ATOM 1511 CE LYS A 99 9.114 -2.036 -10.328 1.00 0.00 C ATOM 1512 NZ LYS A 99 9.404 -0.755 -11.023 1.00 0.00 N ATOM 0 H LYS A 99 8.466 -5.316 -5.611 1.00 0.00 H new ATOM 0 HA LYS A 99 10.801 -5.867 -7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.964 -3.115 -6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.436 -3.498 -7.214 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.987 -4.318 -9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.587 -3.717 -8.283 1.00 0.00 H new ATOM 0 HD2 LYS A 99 9.575 -1.404 -8.306 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.960 -2.011 -9.191 1.00 0.00 H new ATOM 0 HE2 LYS A 99 9.365 -2.869 -10.984 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.046 -2.103 -10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.855 -0.707 -11.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.141 0.041 -10.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 10.419 -0.702 -11.243 1.00 0.00 H new ATOM 1526 N GLY A 100 12.392 -5.471 -5.297 1.00 0.00 N ATOM 1527 CA GLY A 100 13.230 -5.522 -4.099 1.00 0.00 C ATOM 1528 C GLY A 100 13.300 -4.162 -3.409 1.00 0.00 C ATOM 1529 O GLY A 100 12.939 -3.138 -3.993 1.00 0.00 O ATOM 0 H GLY A 100 12.925 -5.479 -6.167 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.832 -6.263 -3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 100 14.235 -5.846 -4.370 1.00 0.00 H new ATOM 1533 N LYS A 101 13.795 -4.142 -2.168 1.00 0.00 N ATOM 1534 CA LYS A 101 13.827 -2.953 -1.291 1.00 0.00 C ATOM 1535 C LYS A 101 14.436 -1.721 -1.961 1.00 0.00 C ATOM 1536 O LYS A 101 13.920 -0.621 -1.784 1.00 0.00 O ATOM 1537 CB LYS A 101 14.559 -3.316 0.021 1.00 0.00 C ATOM 1538 CG LYS A 101 14.029 -2.641 1.298 1.00 0.00 C ATOM 1539 CD LYS A 101 14.223 -1.119 1.360 1.00 0.00 C ATOM 1540 CE LYS A 101 13.990 -0.547 2.766 1.00 0.00 C ATOM 1541 NZ LYS A 101 15.009 -1.013 3.744 1.00 0.00 N ATOM 0 H LYS A 101 14.196 -4.970 -1.728 1.00 0.00 H new ATOM 0 HA LYS A 101 12.798 -2.670 -1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.506 -4.396 0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.613 -3.060 -0.091 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.965 -2.860 1.391 1.00 0.00 H new ATOM 0 HG3 LYS A 101 14.523 -3.090 2.159 1.00 0.00 H new ATOM 0 HD2 LYS A 101 15.234 -0.872 1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.538 -0.641 0.660 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.006 0.542 2.720 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.998 -0.836 3.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.052 -0.349 4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.749 -1.958 4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.939 -1.058 3.281 1.00 0.00 H new ATOM 1555 N ALA A 102 15.470 -1.901 -2.782 1.00 0.00 N ATOM 1556 CA ALA A 102 16.163 -0.784 -3.421 1.00 0.00 C ATOM 1557 C ALA A 102 15.289 -0.108 -4.492 1.00 0.00 C ATOM 1558 O ALA A 102 15.107 1.107 -4.462 1.00 0.00 O ATOM 1559 CB ALA A 102 17.499 -1.286 -3.985 1.00 0.00 C ATOM 0 H ALA A 102 15.848 -2.818 -3.021 1.00 0.00 H new ATOM 0 HA ALA A 102 16.366 -0.012 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 102 18.025 -0.460 -4.464 1.00 0.00 H new ATOM 0 HB2 ALA A 102 18.110 -1.683 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.313 -2.071 -4.717 1.00 0.00 H new ATOM 1565 N ALA A 103 14.695 -0.889 -5.400 1.00 0.00 N ATOM 1566 CA ALA A 103 13.840 -0.377 -6.472 1.00 0.00 C ATOM 1567 C ALA A 103 12.442 0.041 -5.973 1.00 0.00 C ATOM 1568 O ALA A 103 11.934 1.077 -6.405 1.00 0.00 O ATOM 1569 CB ALA A 103 13.776 -1.436 -7.576 1.00 0.00 C ATOM 0 H ALA A 103 14.796 -1.904 -5.410 1.00 0.00 H new ATOM 0 HA ALA A 103 14.274 0.540 -6.871 1.00 0.00 H new ATOM 0 HB1 ALA A 103 13.143 -1.077 -8.388 1.00 0.00 H new ATOM 0 HB2 ALA A 103 14.780 -1.627 -7.955 1.00 0.00 H new ATOM 0 HB3 ALA A 103 13.359 -2.358 -7.172 1.00 0.00 H new ATOM 1575 N LEU A 104 11.838 -0.686 -5.021 1.00 0.00 N ATOM 1576 CA LEU A 104 10.561 -0.284 -4.420 1.00 0.00 C ATOM 1577 C LEU A 104 10.741 1.040 -3.653 1.00 0.00 C ATOM 1578 O LEU A 104 9.984 1.987 -3.873 1.00 0.00 O ATOM 1579 CB LEU A 104 10.035 -1.434 -3.534 1.00 0.00 C ATOM 1580 CG LEU A 104 8.508 -1.530 -3.328 1.00 0.00 C ATOM 1581 CD1 LEU A 104 7.879 -0.243 -2.804 1.00 0.00 C ATOM 1582 CD2 LEU A 104 7.773 -1.946 -4.604 1.00 0.00 C ATOM 0 H LEU A 104 12.216 -1.558 -4.651 1.00 0.00 H new ATOM 0 HA LEU A 104 9.811 -0.099 -5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 104 10.377 -2.375 -3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.502 -1.345 -2.553 1.00 0.00 H new ATOM 0 HG LEU A 104 8.391 -2.303 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.805 -0.386 -2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.321 0.012 -1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.061 0.565 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.702 -1.999 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.961 -1.213 -5.388 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.131 -2.923 -4.928 1.00 0.00 H new ATOM 1594 N LEU A 105 11.809 1.172 -2.851 1.00 0.00 N ATOM 1595 CA LEU A 105 12.134 2.461 -2.240 1.00 0.00 C ATOM 1596 C LEU A 105 12.637 3.492 -3.252 1.00 0.00 C ATOM 1597 O LEU A 105 12.505 4.658 -2.945 1.00 0.00 O ATOM 1598 CB LEU A 105 13.062 2.334 -1.017 1.00 0.00 C ATOM 1599 CG LEU A 105 13.204 3.641 -0.191 1.00 0.00 C ATOM 1600 CD1 LEU A 105 11.880 4.247 0.287 1.00 0.00 C ATOM 1601 CD2 LEU A 105 14.045 3.346 1.051 1.00 0.00 C ATOM 0 H LEU A 105 12.450 0.414 -2.616 1.00 0.00 H new ATOM 0 HA LEU A 105 11.188 2.847 -1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.683 1.545 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 105 14.050 2.021 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 105 13.664 4.366 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 105 12.080 5.156 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 105 11.257 4.487 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.360 3.530 0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 105 14.153 4.256 1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.552 2.581 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 105 15.030 2.991 0.748 1.00 0.00 H new ATOM 1613 N ARG A 106 13.134 3.175 -4.453 1.00 0.00 N ATOM 1614 CA ARG A 106 13.340 4.183 -5.525 1.00 0.00 C ATOM 1615 C ARG A 106 11.996 4.836 -5.909 1.00 0.00 C ATOM 1616 O ARG A 106 11.791 6.058 -5.822 1.00 0.00 O ATOM 1617 CB ARG A 106 14.012 3.497 -6.741 1.00 0.00 C ATOM 1618 CG ARG A 106 15.020 4.331 -7.543 1.00 0.00 C ATOM 1619 CD ARG A 106 14.549 5.728 -7.953 1.00 0.00 C ATOM 1620 NE ARG A 106 13.298 5.712 -8.737 1.00 0.00 N ATOM 1621 CZ ARG A 106 12.470 6.729 -8.876 1.00 0.00 C ATOM 1622 NH1 ARG A 106 12.734 7.922 -8.433 1.00 0.00 N ATOM 1623 NH2 ARG A 106 11.329 6.551 -9.459 1.00 0.00 N ATOM 0 H ARG A 106 13.405 2.228 -4.717 1.00 0.00 H new ATOM 0 HA ARG A 106 13.996 4.978 -5.170 1.00 0.00 H new ATOM 0 HB2 ARG A 106 14.521 2.601 -6.386 1.00 0.00 H new ATOM 0 HB3 ARG A 106 13.226 3.169 -7.422 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.930 4.434 -6.952 1.00 0.00 H new ATOM 0 HG3 ARG A 106 15.285 3.778 -8.444 1.00 0.00 H new ATOM 0 HD2 ARG A 106 14.402 6.332 -7.058 1.00 0.00 H new ATOM 0 HD3 ARG A 106 15.331 6.211 -8.539 1.00 0.00 H new ATOM 0 HE ARG A 106 13.054 4.842 -9.210 1.00 0.00 H new ATOM 0 HH11 ARG A 106 13.615 8.104 -7.953 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.060 8.676 -8.566 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.073 5.627 -9.809 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.685 7.334 -9.569 1.00 0.00 H new ATOM 1637 N GLU A 107 11.040 3.972 -6.245 1.00 0.00 N ATOM 1638 CA GLU A 107 9.690 4.359 -6.654 1.00 0.00 C ATOM 1639 C GLU A 107 8.904 5.075 -5.543 1.00 0.00 C ATOM 1640 O GLU A 107 8.057 5.911 -5.851 1.00 0.00 O ATOM 1641 CB GLU A 107 8.942 3.131 -7.195 1.00 0.00 C ATOM 1642 CG GLU A 107 9.552 2.536 -8.476 1.00 0.00 C ATOM 1643 CD GLU A 107 9.916 3.600 -9.524 1.00 0.00 C ATOM 1644 OE1 GLU A 107 9.003 4.274 -10.052 1.00 0.00 O ATOM 1645 OE2 GLU A 107 11.123 3.824 -9.774 1.00 0.00 O ATOM 0 H GLU A 107 11.185 2.962 -6.241 1.00 0.00 H new ATOM 0 HA GLU A 107 9.782 5.095 -7.453 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.923 2.361 -6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.907 3.408 -7.394 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.447 1.970 -8.216 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.845 1.831 -8.914 1.00 0.00 H new ATOM 1652 N LEU A 108 9.211 4.823 -4.266 1.00 0.00 N ATOM 1653 CA LEU A 108 8.701 5.624 -3.142 1.00 0.00 C ATOM 1654 C LEU A 108 9.621 6.794 -2.749 1.00 0.00 C ATOM 1655 O LEU A 108 9.141 7.791 -2.217 1.00 0.00 O ATOM 1656 CB LEU A 108 8.363 4.701 -1.960 1.00 0.00 C ATOM 1657 CG LEU A 108 7.317 3.629 -2.316 1.00 0.00 C ATOM 1658 CD1 LEU A 108 7.020 2.758 -1.101 1.00 0.00 C ATOM 1659 CD2 LEU A 108 5.991 4.219 -2.793 1.00 0.00 C ATOM 0 H LEU A 108 9.821 4.057 -3.980 1.00 0.00 H new ATOM 0 HA LEU A 108 7.783 6.111 -3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.274 4.212 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 108 7.991 5.303 -1.131 1.00 0.00 H new ATOM 0 HG LEU A 108 7.752 3.049 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 108 6.279 2.004 -1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.936 2.267 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.632 3.380 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.297 3.412 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.567 4.844 -2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.161 4.822 -3.685 1.00 0.00 H new ATOM 1671 N SER A 109 10.911 6.753 -3.083 1.00 0.00 N ATOM 1672 CA SER A 109 11.857 7.872 -2.910 1.00 0.00 C ATOM 1673 C SER A 109 11.489 9.053 -3.812 1.00 0.00 C ATOM 1674 O SER A 109 11.848 10.189 -3.500 1.00 0.00 O ATOM 1675 CB SER A 109 13.326 7.534 -3.198 1.00 0.00 C ATOM 1676 OG SER A 109 13.866 6.743 -2.166 1.00 0.00 O ATOM 0 H SER A 109 11.344 5.925 -3.491 1.00 0.00 H new ATOM 0 HA SER A 109 11.767 8.117 -1.852 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.403 7.004 -4.147 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.903 8.453 -3.298 1.00 0.00 H new ATOM 0 HG SER A 109 13.708 5.796 -2.363 1.00 0.00 H new ATOM 1682 N ASP A 110 10.713 8.813 -4.882 1.00 0.00 N ATOM 1683 CA ASP A 110 9.962 9.890 -5.570 1.00 0.00 C ATOM 1684 C ASP A 110 9.183 10.825 -4.609 1.00 0.00 C ATOM 1685 O ASP A 110 8.971 11.994 -4.939 1.00 0.00 O ATOM 1686 CB ASP A 110 8.952 9.304 -6.576 1.00 0.00 C ATOM 1687 CG ASP A 110 9.561 8.897 -7.924 1.00 0.00 C ATOM 1688 OD1 ASP A 110 10.521 9.546 -8.397 1.00 0.00 O ATOM 1689 OD2 ASP A 110 9.069 7.929 -8.549 1.00 0.00 O ATOM 0 H ASP A 110 10.586 7.888 -5.292 1.00 0.00 H new ATOM 0 HA ASP A 110 10.726 10.481 -6.076 1.00 0.00 H new ATOM 0 HB2 ASP A 110 8.477 8.431 -6.128 1.00 0.00 H new ATOM 0 HB3 ASP A 110 8.167 10.039 -6.753 1.00 0.00 H new ATOM 1694 N VAL A 111 8.775 10.338 -3.426 1.00 0.00 N ATOM 1695 CA VAL A 111 8.077 11.103 -2.374 1.00 0.00 C ATOM 1696 C VAL A 111 8.870 11.214 -1.058 1.00 0.00 C ATOM 1697 O VAL A 111 8.710 12.211 -0.353 1.00 0.00 O ATOM 1698 CB VAL A 111 6.648 10.547 -2.190 1.00 0.00 C ATOM 1699 CG1 VAL A 111 6.462 9.597 -1.001 1.00 0.00 C ATOM 1700 CG2 VAL A 111 5.630 11.687 -2.048 1.00 0.00 C ATOM 0 H VAL A 111 8.927 9.364 -3.164 1.00 0.00 H new ATOM 0 HA VAL A 111 7.997 12.137 -2.709 1.00 0.00 H new ATOM 0 HB VAL A 111 6.478 9.963 -3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.425 9.264 -0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.116 8.733 -1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 111 6.712 10.118 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 111 4.631 11.269 -1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.883 12.295 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 111 5.651 12.307 -2.944 1.00 0.00 H new ATOM 1710 N VAL A 112 9.784 10.271 -0.765 1.00 0.00 N ATOM 1711 CA VAL A 112 10.751 10.325 0.359 1.00 0.00 C ATOM 1712 C VAL A 112 12.221 10.343 -0.120 1.00 0.00 C ATOM 1713 O VAL A 112 12.919 9.333 -0.028 1.00 0.00 O ATOM 1714 CB VAL A 112 10.411 9.261 1.441 1.00 0.00 C ATOM 1715 CG1 VAL A 112 10.393 7.794 0.990 1.00 0.00 C ATOM 1716 CG2 VAL A 112 11.303 9.401 2.683 1.00 0.00 C ATOM 0 H VAL A 112 9.877 9.420 -1.320 1.00 0.00 H new ATOM 0 HA VAL A 112 10.642 11.286 0.862 1.00 0.00 H new ATOM 0 HB VAL A 112 9.374 9.498 1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.143 7.156 1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 112 9.648 7.664 0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.376 7.519 0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.032 8.639 3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 112 12.347 9.275 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.164 10.389 3.121 1.00 0.00 H new ATOM 1726 N PRO A 113 12.756 11.495 -0.589 1.00 0.00 N ATOM 1727 CA PRO A 113 14.153 11.622 -1.036 1.00 0.00 C ATOM 1728 C PRO A 113 15.223 11.377 0.043 1.00 0.00 C ATOM 1729 O PRO A 113 16.412 11.338 -0.275 1.00 0.00 O ATOM 1730 CB PRO A 113 14.286 13.042 -1.601 1.00 0.00 C ATOM 1731 CG PRO A 113 12.861 13.410 -1.994 1.00 0.00 C ATOM 1732 CD PRO A 113 12.040 12.723 -0.909 1.00 0.00 C ATOM 0 HA PRO A 113 14.345 10.838 -1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 113 14.687 13.732 -0.859 1.00 0.00 H new ATOM 0 HB3 PRO A 113 14.958 13.070 -2.459 1.00 0.00 H new ATOM 0 HG2 PRO A 113 12.706 14.489 -2.000 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.606 13.046 -2.989 1.00 0.00 H new ATOM 0 HD2 PRO A 113 11.943 13.360 -0.030 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.031 12.507 -1.260 1.00 0.00 H new ATOM 1740 N ASN A 114 14.830 11.197 1.313 1.00 0.00 N ATOM 1741 CA ASN A 114 15.730 10.989 2.458 1.00 0.00 C ATOM 1742 C ASN A 114 16.603 9.708 2.365 1.00 0.00 C ATOM 1743 O ASN A 114 17.527 9.538 3.163 1.00 0.00 O ATOM 1744 CB ASN A 114 14.870 11.049 3.737 1.00 0.00 C ATOM 1745 CG ASN A 114 15.686 10.978 5.021 1.00 0.00 C ATOM 1746 OD1 ASN A 114 15.775 9.942 5.667 1.00 0.00 O ATOM 1747 ND2 ASN A 114 16.303 12.063 5.431 1.00 0.00 N ATOM 0 H ASN A 114 13.846 11.192 1.580 1.00 0.00 H new ATOM 0 HA ASN A 114 16.477 11.782 2.469 1.00 0.00 H new ATOM 0 HB2 ASN A 114 14.292 11.973 3.734 1.00 0.00 H new ATOM 0 HB3 ASN A 114 14.155 10.226 3.724 1.00 0.00 H new ATOM 0 HD21 ASN A 114 16.856 12.042 6.288 1.00 0.00 H new ATOM 0 HD22 ASN A 114 16.229 12.926 4.893 1.00 0.00 H new ATOM 1754 N LEU A 115 16.367 8.823 1.384 1.00 0.00 N ATOM 1755 CA LEU A 115 17.304 7.750 1.011 1.00 0.00 C ATOM 1756 C LEU A 115 18.681 8.296 0.556 1.00 0.00 C ATOM 1757 O LEU A 115 19.703 7.638 0.768 1.00 0.00 O ATOM 1758 CB LEU A 115 16.649 6.902 -0.100 1.00 0.00 C ATOM 1759 CG LEU A 115 17.511 5.734 -0.628 1.00 0.00 C ATOM 1760 CD1 LEU A 115 17.832 4.708 0.462 1.00 0.00 C ATOM 1761 CD2 LEU A 115 16.800 5.005 -1.767 1.00 0.00 C ATOM 0 H LEU A 115 15.515 8.831 0.823 1.00 0.00 H new ATOM 0 HA LEU A 115 17.503 7.136 1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 115 15.710 6.498 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 115 16.400 7.556 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 115 18.441 6.181 -0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 115 18.440 3.907 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 115 18.381 5.194 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 115 16.904 4.291 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 115 17.426 4.187 -2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 115 15.851 4.606 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 115 16.614 5.701 -2.585 1.00 0.00 H new ATOM 1773 N ASN A 116 18.713 9.489 -0.057 1.00 0.00 N ATOM 1774 CA ASN A 116 19.908 10.145 -0.611 1.00 0.00 C ATOM 1775 C ASN A 116 19.936 11.665 -0.313 1.00 0.00 C ATOM 1776 O ASN A 116 20.002 12.022 0.886 1.00 0.00 O ATOM 1777 CB ASN A 116 20.033 9.751 -2.108 1.00 0.00 C ATOM 1778 CG ASN A 116 18.783 9.976 -2.955 1.00 0.00 C ATOM 1779 OD1 ASN A 116 18.162 9.049 -3.458 1.00 0.00 O ATOM 1780 ND2 ASN A 116 18.386 11.211 -3.146 1.00 0.00 N ATOM 1781 OXT ASN A 116 19.936 12.493 -1.253 1.00 0.00 O ATOM 0 H ASN A 116 17.869 10.048 -0.186 1.00 0.00 H new ATOM 0 HA ASN A 116 20.809 9.789 -0.112 1.00 0.00 H new ATOM 0 HB2 ASN A 116 20.854 10.317 -2.547 1.00 0.00 H new ATOM 0 HB3 ASN A 116 20.305 8.697 -2.167 1.00 0.00 H new ATOM 0 HD21 ASN A 116 17.560 11.399 -3.714 1.00 0.00 H new ATOM 0 HD22 ASN A 116 18.903 11.984 -2.727 1.00 0.00 H new TER 1788 ASN A 116