USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 857 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 84 GLN : amide:sc= -0.224 X(o=0.97,f=0.89) USER MOD Set 1.2: A 88 THR OG1 : rot 63:sc= 1.19 USER MOD Set 2.1: A 73 TYR OH : rot 120:sc= 0.269 USER MOD Set 2.2: A 76 LYS NZ :NH3+ 179:sc= 0.851 (180deg=0.289) USER MOD Set 3.1: A 74 TYR OH : rot -158:sc= 0.788 USER MOD Set 3.2: A 75 LYS NZ :NH3+ -160:sc= 0.887 (180deg=0) USER MOD Set 4.1: A 22 ASN : amide:sc= 0 K(o=-0.12,f=-0.89) USER MOD Set 4.2: A 25 MET CE :methyl 156:sc= -0.117 (180deg=-0.716) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.21 (180deg=0.854) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= 1.21 (180deg=0.0422!) USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.1) USER MOD Single : A 20 ASN : amide:sc= 0.628 K(o=0.63,f=-8.7!) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 38 SER OG : rot -101:sc= 0.145 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -170:sc= -1.37 USER MOD Single : A 44 SER OG : rot -60:sc= 1.21 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -149:sc= 0.932 USER MOD Single : A 50 SER OG : rot 78:sc= 1.29 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0.4 K(o=0.4,f=-5.5!) USER MOD Single : A 58 LYS NZ :NH3+ 177:sc= 0.145 (180deg=0.00255) USER MOD Single : A 59 ASN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0616) USER MOD Single : A 63 TYR OH : rot -162:sc= 0.561 USER MOD Single : A 65 MET CE :methyl 149:sc= -1.31 (180deg=-2.36) USER MOD Single : A 71 GLN : amide:sc= -0.524 X(o=-0.52,f=-0.76) USER MOD Single : A 81 ASN : amide:sc= 0.304 K(o=0.3,f=-0.83) USER MOD Single : A 83 ASN : amide:sc= -2.44! C(o=-2.4!,f=-5.2!) USER MOD Single : A 89 THR OG1 : rot -142:sc= 1.07 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.084 X(o=-0.084,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.065 X(o=-0.065,f=-0.077) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.254 18.590 4.134 1.00 0.00 N ATOM 2 CA MET A 1 -3.069 17.517 3.593 1.00 0.00 C ATOM 3 C MET A 1 -2.845 16.286 4.424 1.00 0.00 C ATOM 4 O MET A 1 -1.704 15.952 4.739 1.00 0.00 O ATOM 5 CB MET A 1 -2.732 17.240 2.115 1.00 0.00 C ATOM 6 CG MET A 1 -3.077 18.374 1.149 1.00 0.00 C ATOM 7 SD MET A 1 -2.142 19.896 1.445 1.00 0.00 S ATOM 8 CE MET A 1 -2.869 20.957 0.194 1.00 0.00 C ATOM 0 H1 MET A 1 -2.081 19.301 3.395 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.750 19.034 4.933 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.346 18.204 4.462 1.00 0.00 H new ATOM 0 HA MET A 1 -4.118 17.811 3.631 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.666 17.027 2.035 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.261 16.341 1.800 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.893 18.038 0.129 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.142 18.592 1.225 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.404 21.942 0.237 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.706 20.522 -0.792 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.940 21.053 0.376 1.00 0.00 H new ATOM 20 N SER A 2 -3.903 15.633 4.807 1.00 0.00 N ATOM 21 CA SER A 2 -3.806 14.468 5.637 1.00 0.00 C ATOM 22 C SER A 2 -4.235 13.229 4.855 1.00 0.00 C ATOM 23 O SER A 2 -4.994 13.323 3.873 1.00 0.00 O ATOM 24 CB SER A 2 -4.674 14.654 6.886 1.00 0.00 C ATOM 25 OG SER A 2 -4.266 15.805 7.626 1.00 0.00 O ATOM 0 H SER A 2 -4.856 15.892 4.553 1.00 0.00 H new ATOM 0 HA SER A 2 -2.771 14.330 5.949 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.719 14.756 6.595 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.604 13.768 7.517 1.00 0.00 H new ATOM 0 HG SER A 2 -4.836 15.904 8.417 1.00 0.00 H new ATOM 31 N ILE A 3 -3.698 12.095 5.220 1.00 0.00 N ATOM 32 CA ILE A 3 -4.092 10.852 4.611 1.00 0.00 C ATOM 33 C ILE A 3 -4.852 10.006 5.648 1.00 0.00 C ATOM 34 O ILE A 3 -5.520 9.037 5.323 1.00 0.00 O ATOM 35 CB ILE A 3 -2.883 10.102 3.949 1.00 0.00 C ATOM 36 CG1 ILE A 3 -3.341 8.805 3.242 1.00 0.00 C ATOM 37 CG2 ILE A 3 -1.775 9.829 4.961 1.00 0.00 C ATOM 38 CD1 ILE A 3 -2.267 8.119 2.418 1.00 0.00 C ATOM 0 H ILE A 3 -2.982 12.006 5.941 1.00 0.00 H new ATOM 0 HA ILE A 3 -4.769 11.054 3.781 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.469 10.759 3.184 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.704 8.106 3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.184 9.040 2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.953 9.308 4.469 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.414 10.773 5.369 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.165 9.210 5.769 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.679 7.220 1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.918 8.796 1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.431 7.848 3.063 1.00 0.00 H new ATOM 50 N LEU A 4 -4.817 10.465 6.912 1.00 0.00 N ATOM 51 CA LEU A 4 -5.603 9.851 8.008 1.00 0.00 C ATOM 52 C LEU A 4 -7.108 10.100 7.819 1.00 0.00 C ATOM 53 O LEU A 4 -7.932 9.656 8.612 1.00 0.00 O ATOM 54 CB LEU A 4 -5.150 10.371 9.388 1.00 0.00 C ATOM 55 CG LEU A 4 -3.796 9.867 9.912 1.00 0.00 C ATOM 56 CD1 LEU A 4 -3.394 10.645 11.150 1.00 0.00 C ATOM 57 CD2 LEU A 4 -3.880 8.387 10.256 1.00 0.00 C ATOM 0 H LEU A 4 -4.252 11.262 7.205 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.421 8.777 7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.113 11.460 9.345 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.915 10.107 10.118 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.049 10.013 9.132 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.433 10.280 11.513 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.310 11.703 10.903 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.149 10.512 11.925 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.914 8.044 10.626 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.638 8.235 11.025 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.149 7.821 9.364 1.00 0.00 H new ATOM 69 N GLU A 5 -7.442 10.813 6.756 1.00 0.00 N ATOM 70 CA GLU A 5 -8.812 11.074 6.373 1.00 0.00 C ATOM 71 C GLU A 5 -9.408 9.829 5.718 1.00 0.00 C ATOM 72 O GLU A 5 -10.614 9.743 5.495 1.00 0.00 O ATOM 73 CB GLU A 5 -8.860 12.244 5.388 1.00 0.00 C ATOM 74 CG GLU A 5 -8.317 13.549 5.945 1.00 0.00 C ATOM 75 CD GLU A 5 -8.352 14.665 4.931 1.00 0.00 C ATOM 76 OE1 GLU A 5 -9.453 15.057 4.501 1.00 0.00 O ATOM 77 OE2 GLU A 5 -7.280 15.161 4.519 1.00 0.00 O ATOM 0 H GLU A 5 -6.756 11.231 6.128 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.390 11.328 7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.292 11.978 4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.892 12.398 5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.900 13.838 6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.291 13.399 6.281 1.00 0.00 H new ATOM 84 N ASP A 6 -8.548 8.878 5.404 1.00 0.00 N ATOM 85 CA ASP A 6 -8.955 7.641 4.765 1.00 0.00 C ATOM 86 C ASP A 6 -9.284 6.588 5.834 1.00 0.00 C ATOM 87 O ASP A 6 -8.461 6.324 6.730 1.00 0.00 O ATOM 88 CB ASP A 6 -7.840 7.122 3.863 1.00 0.00 C ATOM 89 CG ASP A 6 -8.258 5.925 3.046 1.00 0.00 C ATOM 90 OD1 ASP A 6 -8.360 4.819 3.598 1.00 0.00 O ATOM 91 OD2 ASP A 6 -8.520 6.094 1.845 1.00 0.00 O ATOM 0 H ASP A 6 -7.546 8.942 5.585 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.841 7.833 4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.520 7.920 3.193 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.978 6.855 4.475 1.00 0.00 H new ATOM 96 N PRO A 7 -10.482 5.980 5.770 1.00 0.00 N ATOM 97 CA PRO A 7 -10.917 4.978 6.752 1.00 0.00 C ATOM 98 C PRO A 7 -10.125 3.668 6.679 1.00 0.00 C ATOM 99 O PRO A 7 -9.938 2.978 7.692 1.00 0.00 O ATOM 100 CB PRO A 7 -12.382 4.709 6.386 1.00 0.00 C ATOM 101 CG PRO A 7 -12.772 5.784 5.429 1.00 0.00 C ATOM 102 CD PRO A 7 -11.514 6.226 4.751 1.00 0.00 C ATOM 0 HA PRO A 7 -10.766 5.348 7.766 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.496 3.724 5.934 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.015 4.728 7.273 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.495 5.413 4.702 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.244 6.616 5.952 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.325 5.657 3.841 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.557 7.277 4.467 1.00 0.00 H new ATOM 110 N GLU A 8 -9.663 3.323 5.507 1.00 0.00 N ATOM 111 CA GLU A 8 -8.947 2.087 5.330 1.00 0.00 C ATOM 112 C GLU A 8 -7.551 2.255 5.884 1.00 0.00 C ATOM 113 O GLU A 8 -6.995 1.357 6.533 1.00 0.00 O ATOM 114 CB GLU A 8 -8.908 1.680 3.863 1.00 0.00 C ATOM 115 CG GLU A 8 -10.258 1.695 3.175 1.00 0.00 C ATOM 116 CD GLU A 8 -11.318 0.926 3.916 1.00 0.00 C ATOM 117 OE1 GLU A 8 -11.281 -0.316 3.948 1.00 0.00 O ATOM 118 OE2 GLU A 8 -12.224 1.549 4.485 1.00 0.00 O ATOM 0 H GLU A 8 -9.769 3.881 4.660 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.460 1.290 5.868 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.234 2.351 3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.486 0.678 3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.585 2.728 3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.151 1.278 2.174 1.00 0.00 H new ATOM 125 N PHE A 9 -7.020 3.437 5.656 1.00 0.00 N ATOM 126 CA PHE A 9 -5.706 3.834 6.105 1.00 0.00 C ATOM 127 C PHE A 9 -5.589 3.752 7.630 1.00 0.00 C ATOM 128 O PHE A 9 -4.582 3.259 8.157 1.00 0.00 O ATOM 129 CB PHE A 9 -5.412 5.251 5.616 1.00 0.00 C ATOM 130 CG PHE A 9 -4.034 5.751 5.910 1.00 0.00 C ATOM 131 CD1 PHE A 9 -3.000 5.495 5.038 1.00 0.00 C ATOM 132 CD2 PHE A 9 -3.780 6.490 7.049 1.00 0.00 C ATOM 133 CE1 PHE A 9 -1.735 5.963 5.298 1.00 0.00 C ATOM 134 CE2 PHE A 9 -2.515 6.958 7.318 1.00 0.00 C ATOM 135 CZ PHE A 9 -1.491 6.697 6.443 1.00 0.00 C ATOM 0 H PHE A 9 -7.506 4.169 5.138 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.971 3.147 5.687 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.573 5.287 4.539 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.133 5.932 6.069 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.185 4.921 4.142 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.585 6.703 7.737 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.931 5.757 4.607 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.328 7.529 8.215 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.496 7.064 6.649 1.00 0.00 H new ATOM 145 N VAL A 10 -6.611 4.222 8.343 1.00 0.00 N ATOM 146 CA VAL A 10 -6.577 4.173 9.800 1.00 0.00 C ATOM 147 C VAL A 10 -6.585 2.713 10.294 1.00 0.00 C ATOM 148 O VAL A 10 -5.924 2.375 11.272 1.00 0.00 O ATOM 149 CB VAL A 10 -7.692 5.030 10.493 1.00 0.00 C ATOM 150 CG1 VAL A 10 -9.085 4.493 10.234 1.00 0.00 C ATOM 151 CG2 VAL A 10 -7.430 5.164 11.987 1.00 0.00 C ATOM 0 H VAL A 10 -7.455 4.633 7.945 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.638 4.639 10.100 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.648 6.022 10.044 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.818 5.124 10.737 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.281 4.493 9.162 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.160 3.475 10.617 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.219 5.763 12.442 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.416 4.175 12.444 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.467 5.650 12.145 1.00 0.00 H new ATOM 161 N LYS A 11 -7.294 1.849 9.579 1.00 0.00 N ATOM 162 CA LYS A 11 -7.308 0.429 9.905 1.00 0.00 C ATOM 163 C LYS A 11 -5.928 -0.197 9.666 1.00 0.00 C ATOM 164 O LYS A 11 -5.487 -1.042 10.437 1.00 0.00 O ATOM 165 CB LYS A 11 -8.408 -0.308 9.136 1.00 0.00 C ATOM 166 CG LYS A 11 -9.814 0.122 9.545 1.00 0.00 C ATOM 167 CD LYS A 11 -10.904 -0.592 8.748 1.00 0.00 C ATOM 168 CE LYS A 11 -10.860 -0.217 7.282 1.00 0.00 C ATOM 169 NZ LYS A 11 -11.946 -0.836 6.500 1.00 0.00 N ATOM 0 H LYS A 11 -7.864 2.105 8.773 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.537 0.327 10.966 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.277 -0.133 8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.301 -1.380 9.298 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.956 -0.078 10.607 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.915 1.199 9.407 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.784 -1.670 8.852 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.881 -0.339 9.160 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.923 0.867 7.187 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.900 -0.519 6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.663 -0.898 5.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.137 -1.791 6.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.806 -0.256 6.581 1.00 0.00 H new ATOM 183 N LEU A 12 -5.235 0.257 8.620 1.00 0.00 N ATOM 184 CA LEU A 12 -3.861 -0.191 8.340 1.00 0.00 C ATOM 185 C LEU A 12 -2.941 0.211 9.476 1.00 0.00 C ATOM 186 O LEU A 12 -2.070 -0.561 9.887 1.00 0.00 O ATOM 187 CB LEU A 12 -3.333 0.396 7.029 1.00 0.00 C ATOM 188 CG LEU A 12 -4.054 -0.025 5.757 1.00 0.00 C ATOM 189 CD1 LEU A 12 -3.474 0.702 4.576 1.00 0.00 C ATOM 190 CD2 LEU A 12 -3.928 -1.516 5.542 1.00 0.00 C ATOM 0 H LEU A 12 -5.599 0.935 7.950 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.882 -1.277 8.246 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.375 1.483 7.101 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.282 0.123 6.932 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.109 0.228 5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.995 0.396 3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.591 1.776 4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.415 0.461 4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.450 -1.797 4.627 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.875 -1.783 5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.368 -2.044 6.388 1.00 0.00 H new ATOM 202 N ARG A 13 -3.163 1.412 9.993 1.00 0.00 N ATOM 203 CA ARG A 13 -2.419 1.941 11.137 1.00 0.00 C ATOM 204 C ARG A 13 -2.551 1.034 12.349 1.00 0.00 C ATOM 205 O ARG A 13 -1.596 0.841 13.102 1.00 0.00 O ATOM 206 CB ARG A 13 -2.913 3.347 11.491 1.00 0.00 C ATOM 207 CG ARG A 13 -2.458 4.440 10.548 1.00 0.00 C ATOM 208 CD ARG A 13 -0.968 4.633 10.679 1.00 0.00 C ATOM 209 NE ARG A 13 -0.461 5.752 9.905 1.00 0.00 N ATOM 210 CZ ARG A 13 0.621 6.449 10.258 1.00 0.00 C ATOM 211 NH1 ARG A 13 1.315 6.095 11.342 1.00 0.00 N ATOM 212 NH2 ARG A 13 0.997 7.498 9.547 1.00 0.00 N ATOM 0 H ARG A 13 -3.868 2.054 9.631 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.367 1.987 10.854 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.003 3.338 11.514 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.575 3.592 12.498 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.712 4.177 9.521 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.977 5.371 10.777 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.720 4.785 11.729 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.462 3.722 10.361 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.954 6.017 9.053 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.018 5.293 11.898 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.142 6.626 11.614 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.460 7.777 8.726 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.824 8.029 9.819 1.00 0.00 H new ATOM 226 N GLN A 14 -3.731 0.481 12.522 1.00 0.00 N ATOM 227 CA GLN A 14 -4.017 -0.391 13.638 1.00 0.00 C ATOM 228 C GLN A 14 -3.492 -1.815 13.398 1.00 0.00 C ATOM 229 O GLN A 14 -3.234 -2.558 14.343 1.00 0.00 O ATOM 230 CB GLN A 14 -5.511 -0.380 13.945 1.00 0.00 C ATOM 231 CG GLN A 14 -6.029 1.014 14.290 1.00 0.00 C ATOM 232 CD GLN A 14 -7.509 1.070 14.629 1.00 0.00 C ATOM 233 OE1 GLN A 14 -8.285 0.187 14.066 1.00 0.00 O flip ATOM 234 NE2 GLN A 14 -7.945 1.916 15.410 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.520 0.624 11.892 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.488 -0.011 14.512 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.058 -0.764 13.084 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.712 -1.055 14.777 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.461 1.400 15.136 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.837 1.678 13.447 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.311 2.593 15.834 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.940 1.939 15.633 1.00 0.00 H new ATOM 243 N PHE A 15 -3.339 -2.189 12.139 1.00 0.00 N ATOM 244 CA PHE A 15 -2.807 -3.491 11.787 1.00 0.00 C ATOM 245 C PHE A 15 -1.285 -3.500 11.882 1.00 0.00 C ATOM 246 O PHE A 15 -0.682 -4.524 12.224 1.00 0.00 O ATOM 247 CB PHE A 15 -3.259 -3.903 10.379 1.00 0.00 C ATOM 248 CG PHE A 15 -4.716 -4.309 10.253 1.00 0.00 C ATOM 249 CD1 PHE A 15 -5.604 -4.186 11.319 1.00 0.00 C ATOM 250 CD2 PHE A 15 -5.192 -4.824 9.062 1.00 0.00 C ATOM 251 CE1 PHE A 15 -6.922 -4.568 11.193 1.00 0.00 C ATOM 252 CE2 PHE A 15 -6.511 -5.206 8.934 1.00 0.00 C ATOM 253 CZ PHE A 15 -7.377 -5.076 9.999 1.00 0.00 C ATOM 0 H PHE A 15 -3.578 -1.603 11.339 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.199 -4.217 12.499 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.071 -3.072 9.699 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.638 -4.735 10.046 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -5.254 -3.785 12.259 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -4.523 -4.929 8.221 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.596 -4.469 12.031 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.867 -5.608 7.997 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.410 -5.372 9.896 1.00 0.00 H new ATOM 263 N LYS A 16 -0.679 -2.369 11.523 1.00 0.00 N ATOM 264 CA LYS A 16 0.777 -2.121 11.618 1.00 0.00 C ATOM 265 C LYS A 16 1.611 -2.899 10.591 1.00 0.00 C ATOM 266 O LYS A 16 2.846 -2.777 10.562 1.00 0.00 O ATOM 267 CB LYS A 16 1.309 -2.317 13.051 1.00 0.00 C ATOM 268 CG LYS A 16 0.703 -1.351 14.056 1.00 0.00 C ATOM 269 CD LYS A 16 1.261 -1.565 15.445 1.00 0.00 C ATOM 270 CE LYS A 16 0.651 -0.582 16.430 1.00 0.00 C ATOM 271 NZ LYS A 16 1.203 -0.743 17.787 1.00 0.00 N ATOM 0 H LYS A 16 -1.193 -1.572 11.147 1.00 0.00 H new ATOM 0 HA LYS A 16 0.902 -1.069 11.360 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.104 -3.339 13.371 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.392 -2.195 13.049 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.898 -0.326 13.739 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.379 -1.478 14.075 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.058 -2.585 15.770 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.344 -1.445 15.429 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.831 0.436 16.084 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.430 -0.722 16.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.759 -0.053 18.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.009 -1.706 18.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.230 -0.584 17.765 1.00 0.00 H new ATOM 285 N GLY A 17 0.961 -3.684 9.757 1.00 0.00 N ATOM 286 CA GLY A 17 1.670 -4.360 8.706 1.00 0.00 C ATOM 287 C GLY A 17 1.344 -5.832 8.573 1.00 0.00 C ATOM 288 O GLY A 17 0.461 -6.194 7.801 1.00 0.00 O ATOM 0 H GLY A 17 -0.042 -3.864 9.790 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.450 -3.865 7.760 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.741 -4.252 8.880 1.00 0.00 H new ATOM 292 N LYS A 18 2.046 -6.669 9.373 1.00 0.00 N ATOM 293 CA LYS A 18 2.033 -8.153 9.301 1.00 0.00 C ATOM 294 C LYS A 18 2.733 -8.629 8.017 1.00 0.00 C ATOM 295 O LYS A 18 2.721 -9.828 7.680 1.00 0.00 O ATOM 296 CB LYS A 18 0.617 -8.754 9.359 1.00 0.00 C ATOM 297 CG LYS A 18 -0.205 -8.448 10.613 1.00 0.00 C ATOM 298 CD LYS A 18 -1.248 -7.339 10.385 1.00 0.00 C ATOM 299 CE LYS A 18 -2.272 -7.693 9.280 1.00 0.00 C ATOM 300 NZ LYS A 18 -3.052 -8.919 9.575 1.00 0.00 N ATOM 0 H LYS A 18 2.658 -6.320 10.111 1.00 0.00 H new ATOM 0 HA LYS A 18 2.570 -8.505 10.182 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.060 -8.399 8.492 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.702 -9.836 9.263 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.712 -9.356 10.940 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.466 -8.150 11.418 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.779 -7.149 11.318 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.736 -6.415 10.116 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.959 -6.857 9.149 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.745 -7.824 8.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.896 -8.948 8.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.464 -9.757 9.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.343 -8.913 10.573 1.00 0.00 H new ATOM 314 N VAL A 19 3.394 -7.699 7.363 1.00 0.00 N ATOM 315 CA VAL A 19 3.974 -7.893 6.046 1.00 0.00 C ATOM 316 C VAL A 19 5.429 -7.415 6.011 1.00 0.00 C ATOM 317 O VAL A 19 5.906 -6.739 6.951 1.00 0.00 O ATOM 318 CB VAL A 19 3.171 -7.092 4.977 1.00 0.00 C ATOM 319 CG1 VAL A 19 1.748 -7.606 4.843 1.00 0.00 C ATOM 320 CG2 VAL A 19 3.164 -5.608 5.324 1.00 0.00 C ATOM 0 H VAL A 19 3.548 -6.763 7.739 1.00 0.00 H new ATOM 0 HA VAL A 19 3.935 -8.960 5.826 1.00 0.00 H new ATOM 0 HB VAL A 19 3.667 -7.233 4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.220 -7.023 4.089 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.766 -8.654 4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.235 -7.511 5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.600 -5.060 4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.699 -5.465 6.299 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.188 -5.236 5.352 1.00 0.00 H new ATOM 330 N ASN A 20 6.122 -7.749 4.942 1.00 0.00 N ATOM 331 CA ASN A 20 7.498 -7.324 4.752 1.00 0.00 C ATOM 332 C ASN A 20 7.494 -6.029 3.991 1.00 0.00 C ATOM 333 O ASN A 20 6.854 -5.921 2.934 1.00 0.00 O ATOM 334 CB ASN A 20 8.307 -8.359 3.948 1.00 0.00 C ATOM 335 CG ASN A 20 9.821 -8.091 3.896 1.00 0.00 C ATOM 336 OD1 ASN A 20 10.286 -6.954 3.933 1.00 0.00 O ATOM 337 ND2 ASN A 20 10.586 -9.129 3.821 1.00 0.00 N ATOM 0 H ASN A 20 5.752 -8.320 4.182 1.00 0.00 H new ATOM 0 HA ASN A 20 7.962 -7.212 5.732 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.141 -9.346 4.381 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.922 -8.389 2.929 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.599 -9.015 3.791 1.00 0.00 H new ATOM 0 HD22 ASN A 20 10.177 -10.063 3.792 1.00 0.00 H new ATOM 344 N PHE A 21 8.218 -5.069 4.512 1.00 0.00 N ATOM 345 CA PHE A 21 8.388 -3.764 3.909 1.00 0.00 C ATOM 346 C PHE A 21 8.839 -3.883 2.445 1.00 0.00 C ATOM 347 O PHE A 21 8.322 -3.189 1.575 1.00 0.00 O ATOM 348 CB PHE A 21 9.434 -2.984 4.721 1.00 0.00 C ATOM 349 CG PHE A 21 9.760 -1.619 4.186 1.00 0.00 C ATOM 350 CD1 PHE A 21 10.783 -1.449 3.266 1.00 0.00 C ATOM 351 CD2 PHE A 21 9.055 -0.514 4.608 1.00 0.00 C ATOM 352 CE1 PHE A 21 11.090 -0.205 2.777 1.00 0.00 C ATOM 353 CE2 PHE A 21 9.358 0.738 4.124 1.00 0.00 C ATOM 354 CZ PHE A 21 10.378 0.892 3.206 1.00 0.00 C ATOM 0 H PHE A 21 8.721 -5.174 5.393 1.00 0.00 H new ATOM 0 HA PHE A 21 7.433 -3.239 3.918 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.075 -2.881 5.745 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.352 -3.571 4.763 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.346 -2.307 2.930 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.257 -0.631 5.326 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.887 -0.087 2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.799 1.598 4.461 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.617 1.874 2.824 1.00 0.00 H new ATOM 364 N ASN A 22 9.752 -4.808 2.184 1.00 0.00 N ATOM 365 CA ASN A 22 10.346 -4.958 0.855 1.00 0.00 C ATOM 366 C ASN A 22 9.340 -5.443 -0.146 1.00 0.00 C ATOM 367 O ASN A 22 9.333 -4.996 -1.300 1.00 0.00 O ATOM 368 CB ASN A 22 11.549 -5.910 0.867 1.00 0.00 C ATOM 369 CG ASN A 22 12.726 -5.383 1.655 1.00 0.00 C ATOM 370 OD1 ASN A 22 12.940 -4.177 1.752 1.00 0.00 O ATOM 371 ND2 ASN A 22 13.497 -6.272 2.220 1.00 0.00 N ATOM 0 H ASN A 22 10.101 -5.471 2.876 1.00 0.00 H new ATOM 0 HA ASN A 22 10.691 -3.966 0.562 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.240 -6.868 1.286 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.864 -6.098 -0.159 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.307 -5.973 2.763 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.289 -7.265 2.119 1.00 0.00 H new ATOM 378 N LEU A 23 8.468 -6.326 0.289 1.00 0.00 N ATOM 379 CA LEU A 23 7.504 -6.904 -0.600 1.00 0.00 C ATOM 380 C LEU A 23 6.386 -5.923 -0.863 1.00 0.00 C ATOM 381 O LEU A 23 5.900 -5.822 -1.980 1.00 0.00 O ATOM 382 CB LEU A 23 7.007 -8.252 -0.076 1.00 0.00 C ATOM 383 CG LEU A 23 6.107 -9.086 -1.010 1.00 0.00 C ATOM 384 CD1 LEU A 23 6.704 -9.183 -2.407 1.00 0.00 C ATOM 385 CD2 LEU A 23 5.959 -10.484 -0.446 1.00 0.00 C ATOM 0 H LEU A 23 8.412 -6.654 1.253 1.00 0.00 H new ATOM 0 HA LEU A 23 7.981 -7.112 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.877 -8.856 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.459 -8.073 0.849 1.00 0.00 H new ATOM 0 HG LEU A 23 5.137 -8.593 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.047 -9.777 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.810 -8.183 -2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.683 -9.659 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.323 -11.076 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.941 -10.952 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.507 -10.431 0.544 1.00 0.00 H new ATOM 397 N VAL A 24 6.024 -5.150 0.153 1.00 0.00 N ATOM 398 CA VAL A 24 4.990 -4.135 -0.011 1.00 0.00 C ATOM 399 C VAL A 24 5.505 -3.032 -0.905 1.00 0.00 C ATOM 400 O VAL A 24 4.807 -2.579 -1.811 1.00 0.00 O ATOM 401 CB VAL A 24 4.520 -3.551 1.337 1.00 0.00 C ATOM 402 CG1 VAL A 24 3.487 -2.442 1.133 1.00 0.00 C ATOM 403 CG2 VAL A 24 3.930 -4.646 2.174 1.00 0.00 C ATOM 0 H VAL A 24 6.425 -5.204 1.089 1.00 0.00 H new ATOM 0 HA VAL A 24 4.125 -4.614 -0.469 1.00 0.00 H new ATOM 0 HB VAL A 24 5.382 -3.118 1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.176 -2.052 2.102 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.927 -1.639 0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.620 -2.844 0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.597 -4.236 3.127 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.080 -5.086 1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.683 -5.414 2.352 1.00 0.00 H new ATOM 413 N MET A 25 6.752 -2.640 -0.679 1.00 0.00 N ATOM 414 CA MET A 25 7.401 -1.640 -1.497 1.00 0.00 C ATOM 415 C MET A 25 7.478 -2.119 -2.937 1.00 0.00 C ATOM 416 O MET A 25 7.345 -1.334 -3.844 1.00 0.00 O ATOM 417 CB MET A 25 8.790 -1.274 -0.937 1.00 0.00 C ATOM 418 CG MET A 25 9.570 -0.261 -1.766 1.00 0.00 C ATOM 419 SD MET A 25 11.135 0.204 -0.995 1.00 0.00 S ATOM 420 CE MET A 25 11.977 -1.383 -0.932 1.00 0.00 C ATOM 0 H MET A 25 7.334 -3.008 0.074 1.00 0.00 H new ATOM 0 HA MET A 25 6.805 -0.728 -1.475 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.666 -0.878 0.071 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.383 -2.185 -0.851 1.00 0.00 H new ATOM 0 HG2 MET A 25 9.765 -0.678 -2.754 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.961 0.631 -1.911 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.054 -1.222 -0.895 1.00 0.00 H new ATOM 0 HE2 MET A 25 11.660 -1.928 -0.043 1.00 0.00 H new ATOM 0 HE3 MET A 25 11.727 -1.963 -1.821 1.00 0.00 H new ATOM 430 N GLN A 26 7.637 -3.423 -3.125 1.00 0.00 N ATOM 431 CA GLN A 26 7.646 -4.005 -4.457 1.00 0.00 C ATOM 432 C GLN A 26 6.247 -3.964 -5.076 1.00 0.00 C ATOM 433 O GLN A 26 6.106 -3.636 -6.236 1.00 0.00 O ATOM 434 CB GLN A 26 8.186 -5.436 -4.447 1.00 0.00 C ATOM 435 CG GLN A 26 8.151 -6.108 -5.811 1.00 0.00 C ATOM 436 CD GLN A 26 8.743 -7.493 -5.816 1.00 0.00 C ATOM 437 OE1 GLN A 26 8.720 -8.206 -4.814 1.00 0.00 O ATOM 438 NE2 GLN A 26 9.244 -7.896 -6.943 1.00 0.00 N ATOM 0 H GLN A 26 7.761 -4.097 -2.369 1.00 0.00 H new ATOM 0 HA GLN A 26 8.317 -3.404 -5.070 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.213 -5.426 -4.082 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.604 -6.031 -3.743 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.118 -6.162 -6.154 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.692 -5.488 -6.526 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.245 -7.275 -7.752 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.637 -8.834 -7.020 1.00 0.00 H new ATOM 447 N ILE A 27 5.215 -4.294 -4.287 1.00 0.00 N ATOM 448 CA ILE A 27 3.817 -4.229 -4.767 1.00 0.00 C ATOM 449 C ILE A 27 3.517 -2.809 -5.258 1.00 0.00 C ATOM 450 O ILE A 27 3.034 -2.601 -6.383 1.00 0.00 O ATOM 451 CB ILE A 27 2.793 -4.596 -3.633 1.00 0.00 C ATOM 452 CG1 ILE A 27 3.016 -6.027 -3.105 1.00 0.00 C ATOM 453 CG2 ILE A 27 1.343 -4.418 -4.100 1.00 0.00 C ATOM 454 CD1 ILE A 27 2.845 -7.123 -4.139 1.00 0.00 C ATOM 0 H ILE A 27 5.314 -4.607 -3.321 1.00 0.00 H new ATOM 0 HA ILE A 27 3.708 -4.952 -5.575 1.00 0.00 H new ATOM 0 HB ILE A 27 2.972 -3.901 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.022 -6.093 -2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.321 -6.209 -2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.664 -4.681 -3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.178 -3.380 -4.388 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.154 -5.066 -4.956 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.022 -8.093 -3.674 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.831 -7.091 -4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.559 -6.974 -4.949 1.00 0.00 H new ATOM 466 N LEU A 28 3.866 -1.854 -4.422 1.00 0.00 N ATOM 467 CA LEU A 28 3.676 -0.446 -4.701 1.00 0.00 C ATOM 468 C LEU A 28 4.512 -0.016 -5.907 1.00 0.00 C ATOM 469 O LEU A 28 4.054 0.724 -6.762 1.00 0.00 O ATOM 470 CB LEU A 28 4.079 0.365 -3.468 1.00 0.00 C ATOM 471 CG LEU A 28 3.302 0.066 -2.178 1.00 0.00 C ATOM 472 CD1 LEU A 28 3.897 0.824 -1.017 1.00 0.00 C ATOM 473 CD2 LEU A 28 1.836 0.416 -2.332 1.00 0.00 C ATOM 0 H LEU A 28 4.296 -2.037 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 28 2.627 -0.266 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.139 0.195 -3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.963 1.423 -3.701 1.00 0.00 H new ATOM 0 HG LEU A 28 3.379 -1.003 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.335 0.601 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.937 0.525 -0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.850 1.894 -1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.310 0.194 -1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.737 1.477 -2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.405 -0.171 -3.143 1.00 0.00 H new ATOM 485 N ASP A 29 5.718 -0.528 -5.980 1.00 0.00 N ATOM 486 CA ASP A 29 6.660 -0.195 -7.047 1.00 0.00 C ATOM 487 C ASP A 29 6.185 -0.722 -8.375 1.00 0.00 C ATOM 488 O ASP A 29 6.174 -0.009 -9.378 1.00 0.00 O ATOM 489 CB ASP A 29 8.009 -0.820 -6.755 1.00 0.00 C ATOM 490 CG ASP A 29 9.074 -0.369 -7.709 1.00 0.00 C ATOM 491 OD1 ASP A 29 9.470 0.818 -7.652 1.00 0.00 O ATOM 492 OD2 ASP A 29 9.562 -1.194 -8.504 1.00 0.00 O ATOM 0 H ASP A 29 6.085 -1.194 -5.300 1.00 0.00 H new ATOM 0 HA ASP A 29 6.736 0.891 -7.092 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.309 -0.569 -5.737 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.920 -1.905 -6.803 1.00 0.00 H new ATOM 497 N GLU A 30 5.785 -1.966 -8.367 1.00 0.00 N ATOM 498 CA GLU A 30 5.359 -2.667 -9.559 1.00 0.00 C ATOM 499 C GLU A 30 4.109 -1.984 -10.181 1.00 0.00 C ATOM 500 O GLU A 30 3.999 -1.864 -11.419 1.00 0.00 O ATOM 501 CB GLU A 30 5.108 -4.150 -9.232 1.00 0.00 C ATOM 502 CG GLU A 30 5.254 -5.091 -10.419 1.00 0.00 C ATOM 503 CD GLU A 30 4.973 -6.540 -10.065 1.00 0.00 C ATOM 504 OE1 GLU A 30 5.804 -7.178 -9.371 1.00 0.00 O ATOM 505 OE2 GLU A 30 3.942 -7.072 -10.476 1.00 0.00 O ATOM 0 H GLU A 30 5.744 -2.534 -7.521 1.00 0.00 H new ATOM 0 HA GLU A 30 6.150 -2.620 -10.307 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.803 -4.460 -8.451 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.103 -4.254 -8.823 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.573 -4.777 -11.210 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.265 -5.010 -10.818 1.00 0.00 H new ATOM 512 N ILE A 31 3.175 -1.514 -9.336 1.00 0.00 N ATOM 513 CA ILE A 31 2.014 -0.781 -9.859 1.00 0.00 C ATOM 514 C ILE A 31 2.449 0.613 -10.322 1.00 0.00 C ATOM 515 O ILE A 31 1.999 1.096 -11.349 1.00 0.00 O ATOM 516 CB ILE A 31 0.814 -0.646 -8.848 1.00 0.00 C ATOM 517 CG1 ILE A 31 1.179 0.209 -7.635 1.00 0.00 C ATOM 518 CG2 ILE A 31 0.320 -2.011 -8.403 1.00 0.00 C ATOM 519 CD1 ILE A 31 0.044 0.452 -6.682 1.00 0.00 C ATOM 0 H ILE A 31 3.199 -1.624 -8.322 1.00 0.00 H new ATOM 0 HA ILE A 31 1.640 -1.376 -10.692 1.00 0.00 H new ATOM 0 HB ILE A 31 0.008 -0.139 -9.379 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.993 -0.276 -7.096 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.556 1.170 -7.984 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.509 -1.888 -7.705 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.017 -2.577 -9.271 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.131 -2.549 -7.912 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.391 1.067 -5.852 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.764 0.967 -7.202 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.321 -0.501 -6.300 1.00 0.00 H new ATOM 531 N GLU A 32 3.364 1.216 -9.563 1.00 0.00 N ATOM 532 CA GLU A 32 3.891 2.551 -9.822 1.00 0.00 C ATOM 533 C GLU A 32 4.527 2.628 -11.198 1.00 0.00 C ATOM 534 O GLU A 32 4.177 3.490 -12.005 1.00 0.00 O ATOM 535 CB GLU A 32 4.932 2.895 -8.760 1.00 0.00 C ATOM 536 CG GLU A 32 5.529 4.275 -8.867 1.00 0.00 C ATOM 537 CD GLU A 32 6.591 4.511 -7.823 1.00 0.00 C ATOM 538 OE1 GLU A 32 6.271 4.598 -6.627 1.00 0.00 O ATOM 539 OE2 GLU A 32 7.787 4.594 -8.188 1.00 0.00 O ATOM 0 H GLU A 32 3.766 0.779 -8.734 1.00 0.00 H new ATOM 0 HA GLU A 32 3.067 3.263 -9.785 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.472 2.791 -7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.738 2.163 -8.814 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.960 4.408 -9.859 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.741 5.021 -8.759 1.00 0.00 H new ATOM 546 N LEU A 33 5.439 1.710 -11.462 1.00 0.00 N ATOM 547 CA LEU A 33 6.157 1.670 -12.723 1.00 0.00 C ATOM 548 C LEU A 33 5.230 1.412 -13.905 1.00 0.00 C ATOM 549 O LEU A 33 5.496 1.861 -15.016 1.00 0.00 O ATOM 550 CB LEU A 33 7.353 0.676 -12.662 1.00 0.00 C ATOM 551 CG LEU A 33 7.062 -0.829 -12.410 1.00 0.00 C ATOM 552 CD1 LEU A 33 6.574 -1.555 -13.660 1.00 0.00 C ATOM 553 CD2 LEU A 33 8.282 -1.517 -11.837 1.00 0.00 C ATOM 0 H LEU A 33 5.703 0.972 -10.809 1.00 0.00 H new ATOM 0 HA LEU A 33 6.581 2.660 -12.891 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.896 0.754 -13.604 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.027 1.018 -11.877 1.00 0.00 H new ATOM 0 HG LEU A 33 6.250 -0.875 -11.684 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.387 -2.602 -13.423 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.652 -1.093 -14.013 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.334 -1.489 -14.439 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.059 -2.570 -11.667 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.112 -1.430 -12.538 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.555 -1.047 -10.892 1.00 0.00 H new ATOM 565 N ASP A 34 4.147 0.688 -13.670 1.00 0.00 N ATOM 566 CA ASP A 34 3.177 0.451 -14.730 1.00 0.00 C ATOM 567 C ASP A 34 2.341 1.691 -14.967 1.00 0.00 C ATOM 568 O ASP A 34 2.196 2.154 -16.104 1.00 0.00 O ATOM 569 CB ASP A 34 2.255 -0.727 -14.409 1.00 0.00 C ATOM 570 CG ASP A 34 1.246 -0.995 -15.521 1.00 0.00 C ATOM 571 OD1 ASP A 34 1.573 -1.745 -16.463 1.00 0.00 O ATOM 572 OD2 ASP A 34 0.122 -0.458 -15.477 1.00 0.00 O ATOM 0 H ASP A 34 3.919 0.261 -12.772 1.00 0.00 H new ATOM 0 HA ASP A 34 3.740 0.207 -15.631 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.856 -1.621 -14.244 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.722 -0.525 -13.480 1.00 0.00 H new ATOM 577 N LEU A 35 1.820 2.235 -13.887 1.00 0.00 N ATOM 578 CA LEU A 35 0.919 3.369 -13.931 1.00 0.00 C ATOM 579 C LEU A 35 1.610 4.640 -14.409 1.00 0.00 C ATOM 580 O LEU A 35 1.193 5.230 -15.414 1.00 0.00 O ATOM 581 CB LEU A 35 0.293 3.608 -12.551 1.00 0.00 C ATOM 582 CG LEU A 35 -0.723 4.753 -12.461 1.00 0.00 C ATOM 583 CD1 LEU A 35 -1.954 4.449 -13.292 1.00 0.00 C ATOM 584 CD2 LEU A 35 -1.101 5.020 -11.022 1.00 0.00 C ATOM 0 H LEU A 35 2.012 1.899 -12.943 1.00 0.00 H new ATOM 0 HA LEU A 35 0.138 3.126 -14.652 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.197 2.688 -12.233 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.095 3.804 -11.840 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.257 5.652 -12.864 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.660 5.276 -13.212 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.666 4.317 -14.335 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.423 3.535 -12.927 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.823 5.836 -10.981 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.543 4.122 -10.589 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.210 5.295 -10.457 1.00 0.00 H new ATOM 596 N ARG A 36 2.664 5.045 -13.690 1.00 0.00 N ATOM 597 CA ARG A 36 3.403 6.304 -13.908 1.00 0.00 C ATOM 598 C ARG A 36 2.493 7.509 -13.657 1.00 0.00 C ATOM 599 O ARG A 36 2.589 8.166 -12.623 1.00 0.00 O ATOM 600 CB ARG A 36 4.044 6.381 -15.313 1.00 0.00 C ATOM 601 CG ARG A 36 5.021 5.259 -15.627 1.00 0.00 C ATOM 602 CD ARG A 36 6.235 5.272 -14.715 1.00 0.00 C ATOM 603 NE ARG A 36 7.141 4.162 -15.028 1.00 0.00 N ATOM 604 CZ ARG A 36 8.415 4.061 -14.642 1.00 0.00 C ATOM 605 NH1 ARG A 36 8.977 5.009 -13.909 1.00 0.00 N ATOM 606 NH2 ARG A 36 9.119 2.998 -14.988 1.00 0.00 N ATOM 0 H ARG A 36 3.040 4.494 -12.918 1.00 0.00 H new ATOM 0 HA ARG A 36 4.222 6.323 -13.189 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.251 6.374 -16.060 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.563 7.334 -15.409 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.511 4.300 -15.533 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.348 5.346 -16.663 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.764 6.219 -14.822 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.914 5.202 -13.676 1.00 0.00 H new ATOM 0 HE ARG A 36 6.764 3.399 -15.591 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.436 5.828 -13.633 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.951 4.920 -13.620 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.689 2.261 -15.547 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.093 2.914 -14.697 1.00 0.00 H new ATOM 620 N GLY A 37 1.603 7.759 -14.586 1.00 0.00 N ATOM 621 CA GLY A 37 0.656 8.825 -14.466 1.00 0.00 C ATOM 622 C GLY A 37 -0.531 8.580 -15.360 1.00 0.00 C ATOM 623 O GLY A 37 -1.167 9.520 -15.838 1.00 0.00 O ATOM 0 H GLY A 37 1.520 7.222 -15.449 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.327 8.912 -13.431 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.129 9.771 -14.731 1.00 0.00 H new ATOM 627 N SER A 38 -0.817 7.313 -15.598 1.00 0.00 N ATOM 628 CA SER A 38 -1.908 6.909 -16.457 1.00 0.00 C ATOM 629 C SER A 38 -3.240 6.901 -15.663 1.00 0.00 C ATOM 630 O SER A 38 -3.282 7.272 -14.471 1.00 0.00 O ATOM 631 CB SER A 38 -1.592 5.533 -17.091 1.00 0.00 C ATOM 632 OG SER A 38 -2.564 5.140 -18.056 1.00 0.00 O ATOM 0 H SER A 38 -0.295 6.534 -15.198 1.00 0.00 H new ATOM 0 HA SER A 38 -2.024 7.626 -17.269 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.611 5.571 -17.564 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.539 4.779 -16.306 1.00 0.00 H new ATOM 0 HG SER A 38 -3.177 4.489 -17.656 1.00 0.00 H new ATOM 638 N ASP A 39 -4.302 6.473 -16.295 1.00 0.00 N ATOM 639 CA ASP A 39 -5.623 6.552 -15.693 1.00 0.00 C ATOM 640 C ASP A 39 -6.098 5.230 -15.090 1.00 0.00 C ATOM 641 O ASP A 39 -6.909 5.236 -14.165 1.00 0.00 O ATOM 642 CB ASP A 39 -6.666 7.077 -16.698 1.00 0.00 C ATOM 643 CG ASP A 39 -6.997 6.104 -17.810 1.00 0.00 C ATOM 644 OD1 ASP A 39 -6.180 5.957 -18.767 1.00 0.00 O ATOM 645 OD2 ASP A 39 -8.075 5.484 -17.762 1.00 0.00 O ATOM 0 H ASP A 39 -4.286 6.064 -17.229 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.526 7.260 -14.870 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.582 7.323 -16.160 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.297 8.003 -17.138 1.00 0.00 H new ATOM 650 N ASN A 40 -5.590 4.106 -15.555 1.00 0.00 N ATOM 651 CA ASN A 40 -6.108 2.831 -15.060 1.00 0.00 C ATOM 652 C ASN A 40 -5.188 2.214 -14.046 1.00 0.00 C ATOM 653 O ASN A 40 -4.391 1.324 -14.366 1.00 0.00 O ATOM 654 CB ASN A 40 -6.414 1.804 -16.170 1.00 0.00 C ATOM 655 CG ASN A 40 -7.449 2.257 -17.166 1.00 0.00 C ATOM 656 OD1 ASN A 40 -8.650 2.114 -16.946 1.00 0.00 O ATOM 657 ND2 ASN A 40 -7.000 2.744 -18.293 1.00 0.00 N ATOM 0 H ASN A 40 -4.846 4.040 -16.250 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.057 3.084 -14.587 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.490 1.576 -16.702 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.753 0.877 -15.708 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.654 3.020 -19.026 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.996 2.848 -18.440 1.00 0.00 H new ATOM 664 N ILE A 41 -5.273 2.679 -12.829 1.00 0.00 N ATOM 665 CA ILE A 41 -4.445 2.133 -11.772 1.00 0.00 C ATOM 666 C ILE A 41 -5.014 0.796 -11.329 1.00 0.00 C ATOM 667 O ILE A 41 -4.281 -0.099 -10.920 1.00 0.00 O ATOM 668 CB ILE A 41 -4.287 3.105 -10.558 1.00 0.00 C ATOM 669 CG1 ILE A 41 -3.416 2.468 -9.446 1.00 0.00 C ATOM 670 CG2 ILE A 41 -5.643 3.538 -10.028 1.00 0.00 C ATOM 671 CD1 ILE A 41 -3.161 3.358 -8.250 1.00 0.00 C ATOM 0 H ILE A 41 -5.900 3.429 -12.540 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.442 1.992 -12.175 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.770 4.000 -10.905 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.901 1.554 -9.104 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.457 2.179 -9.876 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.505 4.214 -9.184 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.195 4.050 -10.816 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.203 2.661 -9.703 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.543 2.826 -7.526 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.645 4.262 -8.573 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.111 3.628 -7.788 1.00 0.00 H new ATOM 683 N LYS A 42 -6.326 0.645 -11.484 1.00 0.00 N ATOM 684 CA LYS A 42 -7.002 -0.589 -11.135 1.00 0.00 C ATOM 685 C LYS A 42 -6.458 -1.743 -11.975 1.00 0.00 C ATOM 686 O LYS A 42 -6.288 -2.853 -11.483 1.00 0.00 O ATOM 687 CB LYS A 42 -8.532 -0.460 -11.304 1.00 0.00 C ATOM 688 CG LYS A 42 -8.999 -0.175 -12.730 1.00 0.00 C ATOM 689 CD LYS A 42 -10.505 -0.031 -12.804 1.00 0.00 C ATOM 690 CE LYS A 42 -10.955 0.232 -14.228 1.00 0.00 C ATOM 691 NZ LYS A 42 -12.413 0.402 -14.324 1.00 0.00 N ATOM 0 H LYS A 42 -6.941 1.371 -11.852 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.806 -0.798 -10.083 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.000 -1.383 -10.961 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.889 0.339 -10.654 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.527 0.738 -13.093 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.677 -0.983 -13.387 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.980 -0.938 -12.430 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.828 0.787 -12.160 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.460 1.127 -14.605 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.644 -0.596 -14.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.677 0.580 -15.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.886 -0.461 -13.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.708 1.208 -13.737 1.00 0.00 H new ATOM 705 N THR A 43 -6.132 -1.453 -13.221 1.00 0.00 N ATOM 706 CA THR A 43 -5.623 -2.442 -14.119 1.00 0.00 C ATOM 707 C THR A 43 -4.167 -2.781 -13.750 1.00 0.00 C ATOM 708 O THR A 43 -3.749 -3.942 -13.840 1.00 0.00 O ATOM 709 CB THR A 43 -5.727 -1.920 -15.552 1.00 0.00 C ATOM 710 OG1 THR A 43 -7.010 -1.278 -15.692 1.00 0.00 O ATOM 711 CG2 THR A 43 -5.645 -3.068 -16.550 1.00 0.00 C ATOM 0 H THR A 43 -6.217 -0.521 -13.628 1.00 0.00 H new ATOM 0 HA THR A 43 -6.210 -3.357 -14.041 1.00 0.00 H new ATOM 0 HB THR A 43 -4.908 -1.228 -15.749 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.172 -1.073 -16.637 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.721 -2.675 -17.564 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.693 -3.585 -16.432 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.462 -3.766 -16.369 1.00 0.00 H new ATOM 719 N SER A 44 -3.418 -1.772 -13.294 1.00 0.00 N ATOM 720 CA SER A 44 -2.060 -1.966 -12.826 1.00 0.00 C ATOM 721 C SER A 44 -2.073 -2.887 -11.594 1.00 0.00 C ATOM 722 O SER A 44 -1.223 -3.778 -11.457 1.00 0.00 O ATOM 723 CB SER A 44 -1.449 -0.608 -12.487 1.00 0.00 C ATOM 724 OG SER A 44 -1.592 0.276 -13.587 1.00 0.00 O ATOM 0 H SER A 44 -3.742 -0.806 -13.243 1.00 0.00 H new ATOM 0 HA SER A 44 -1.456 -2.436 -13.602 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.938 -0.189 -11.607 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.394 -0.726 -12.239 1.00 0.00 H new ATOM 0 HG SER A 44 -1.139 -0.101 -14.370 1.00 0.00 H new ATOM 730 N ILE A 45 -3.077 -2.679 -10.730 1.00 0.00 N ATOM 731 CA ILE A 45 -3.310 -3.506 -9.543 1.00 0.00 C ATOM 732 C ILE A 45 -3.482 -4.976 -9.961 1.00 0.00 C ATOM 733 O ILE A 45 -2.863 -5.870 -9.381 1.00 0.00 O ATOM 734 CB ILE A 45 -4.601 -3.039 -8.771 1.00 0.00 C ATOM 735 CG1 ILE A 45 -4.467 -1.605 -8.214 1.00 0.00 C ATOM 736 CG2 ILE A 45 -4.996 -4.008 -7.660 1.00 0.00 C ATOM 737 CD1 ILE A 45 -3.385 -1.425 -7.169 1.00 0.00 C ATOM 0 H ILE A 45 -3.755 -1.925 -10.839 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.449 -3.400 -8.883 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.402 -3.036 -9.511 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.268 -0.926 -9.043 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.422 -1.308 -7.782 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.891 -3.641 -7.158 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.197 -4.990 -8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.182 -4.086 -6.939 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.368 -0.386 -6.838 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.590 -2.073 -6.317 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.418 -1.685 -7.598 1.00 0.00 H new ATOM 749 N ILE A 46 -4.300 -5.196 -10.999 1.00 0.00 N ATOM 750 CA ILE A 46 -4.611 -6.539 -11.508 1.00 0.00 C ATOM 751 C ILE A 46 -3.344 -7.337 -11.822 1.00 0.00 C ATOM 752 O ILE A 46 -3.221 -8.486 -11.392 1.00 0.00 O ATOM 753 CB ILE A 46 -5.528 -6.495 -12.777 1.00 0.00 C ATOM 754 CG1 ILE A 46 -6.865 -5.814 -12.451 1.00 0.00 C ATOM 755 CG2 ILE A 46 -5.769 -7.907 -13.332 1.00 0.00 C ATOM 756 CD1 ILE A 46 -7.812 -5.688 -13.634 1.00 0.00 C ATOM 0 H ILE A 46 -4.766 -4.446 -11.511 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.154 -7.042 -10.708 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.016 -5.912 -13.542 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.363 -6.377 -11.662 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.664 -4.819 -12.054 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.409 -7.848 -14.213 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.815 -8.358 -13.606 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.254 -8.519 -12.572 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.730 -5.196 -13.314 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.338 -5.097 -14.418 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -8.047 -6.680 -14.019 1.00 0.00 H new ATOM 768 N TYR A 47 -2.395 -6.712 -12.524 1.00 0.00 N ATOM 769 CA TYR A 47 -1.162 -7.405 -12.932 1.00 0.00 C ATOM 770 C TYR A 47 -0.377 -7.845 -11.708 1.00 0.00 C ATOM 771 O TYR A 47 -0.038 -9.015 -11.548 1.00 0.00 O ATOM 772 CB TYR A 47 -0.233 -6.496 -13.752 1.00 0.00 C ATOM 773 CG TYR A 47 -0.864 -5.730 -14.881 1.00 0.00 C ATOM 774 CD1 TYR A 47 -1.643 -6.349 -15.850 1.00 0.00 C ATOM 775 CD2 TYR A 47 -0.672 -4.368 -14.969 1.00 0.00 C ATOM 776 CE1 TYR A 47 -2.210 -5.612 -16.875 1.00 0.00 C ATOM 777 CE2 TYR A 47 -1.227 -3.631 -15.978 1.00 0.00 C ATOM 778 CZ TYR A 47 -1.994 -4.249 -16.929 1.00 0.00 C ATOM 779 OH TYR A 47 -2.546 -3.499 -17.945 1.00 0.00 O ATOM 0 H TYR A 47 -2.452 -5.738 -12.821 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.474 -8.256 -13.537 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.230 -5.781 -13.072 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.568 -7.110 -14.163 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.808 -7.415 -15.803 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.069 -3.871 -14.223 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.816 -6.098 -17.626 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.061 -2.565 -16.025 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.295 -2.559 -17.831 1.00 0.00 H new ATOM 789 N VAL A 48 -0.147 -6.894 -10.835 1.00 0.00 N ATOM 790 CA VAL A 48 0.690 -7.077 -9.669 1.00 0.00 C ATOM 791 C VAL A 48 0.083 -8.065 -8.684 1.00 0.00 C ATOM 792 O VAL A 48 0.781 -8.939 -8.153 1.00 0.00 O ATOM 793 CB VAL A 48 0.969 -5.719 -8.988 1.00 0.00 C ATOM 794 CG1 VAL A 48 1.886 -5.868 -7.779 1.00 0.00 C ATOM 795 CG2 VAL A 48 1.572 -4.765 -10.003 1.00 0.00 C ATOM 0 H VAL A 48 -0.541 -5.956 -10.914 1.00 0.00 H new ATOM 0 HA VAL A 48 1.637 -7.500 -10.005 1.00 0.00 H new ATOM 0 HB VAL A 48 0.024 -5.317 -8.622 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.057 -4.890 -7.329 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.419 -6.527 -7.047 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.838 -6.293 -8.095 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.771 -3.805 -9.527 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.505 -5.181 -10.384 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.874 -4.623 -10.828 1.00 0.00 H new ATOM 805 N TYR A 49 -1.206 -7.960 -8.462 1.00 0.00 N ATOM 806 CA TYR A 49 -1.883 -8.852 -7.552 1.00 0.00 C ATOM 807 C TYR A 49 -1.919 -10.265 -8.095 1.00 0.00 C ATOM 808 O TYR A 49 -1.775 -11.210 -7.344 1.00 0.00 O ATOM 809 CB TYR A 49 -3.284 -8.342 -7.183 1.00 0.00 C ATOM 810 CG TYR A 49 -3.291 -7.145 -6.228 1.00 0.00 C ATOM 811 CD1 TYR A 49 -2.257 -6.206 -6.222 1.00 0.00 C ATOM 812 CD2 TYR A 49 -4.327 -6.970 -5.324 1.00 0.00 C ATOM 813 CE1 TYR A 49 -2.262 -5.137 -5.354 1.00 0.00 C ATOM 814 CE2 TYR A 49 -4.338 -5.899 -4.452 1.00 0.00 C ATOM 815 CZ TYR A 49 -3.304 -4.986 -4.475 1.00 0.00 C ATOM 816 OH TYR A 49 -3.313 -3.922 -3.612 1.00 0.00 O ATOM 0 H TYR A 49 -1.808 -7.263 -8.901 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.307 -8.873 -6.627 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.809 -8.065 -8.097 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.846 -9.158 -6.728 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.435 -6.321 -6.913 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.138 -7.682 -5.301 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.452 -4.423 -5.365 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.153 -5.777 -3.754 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.765 -4.179 -2.781 1.00 0.00 H new ATOM 826 N SER A 50 -2.035 -10.399 -9.403 1.00 0.00 N ATOM 827 CA SER A 50 -2.047 -11.710 -10.021 1.00 0.00 C ATOM 828 C SER A 50 -0.633 -12.305 -10.080 1.00 0.00 C ATOM 829 O SER A 50 -0.453 -13.516 -10.127 1.00 0.00 O ATOM 830 CB SER A 50 -2.673 -11.633 -11.403 1.00 0.00 C ATOM 831 OG SER A 50 -3.983 -11.075 -11.320 1.00 0.00 O ATOM 0 H SER A 50 -2.122 -9.619 -10.055 1.00 0.00 H new ATOM 0 HA SER A 50 -2.654 -12.376 -9.408 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.051 -11.023 -12.058 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.721 -12.628 -11.844 1.00 0.00 H new ATOM 0 HG SER A 50 -3.918 -10.102 -11.218 1.00 0.00 H new ATOM 837 N SER A 51 0.357 -11.452 -10.061 1.00 0.00 N ATOM 838 CA SER A 51 1.723 -11.888 -10.070 1.00 0.00 C ATOM 839 C SER A 51 2.156 -12.328 -8.664 1.00 0.00 C ATOM 840 O SER A 51 2.997 -13.211 -8.507 1.00 0.00 O ATOM 841 CB SER A 51 2.627 -10.751 -10.593 1.00 0.00 C ATOM 842 OG SER A 51 4.000 -11.118 -10.602 1.00 0.00 O ATOM 0 H SER A 51 0.237 -10.439 -10.039 1.00 0.00 H new ATOM 0 HA SER A 51 1.820 -12.747 -10.734 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.319 -10.479 -11.603 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.493 -9.867 -9.970 1.00 0.00 H new ATOM 0 HG SER A 51 4.536 -10.371 -10.941 1.00 0.00 H new ATOM 848 N HIS A 52 1.557 -11.734 -7.655 1.00 0.00 N ATOM 849 CA HIS A 52 1.950 -11.989 -6.274 1.00 0.00 C ATOM 850 C HIS A 52 0.762 -12.536 -5.486 1.00 0.00 C ATOM 851 O HIS A 52 0.622 -12.251 -4.294 1.00 0.00 O ATOM 852 CB HIS A 52 2.455 -10.681 -5.606 1.00 0.00 C ATOM 853 CG HIS A 52 3.648 -10.015 -6.267 1.00 0.00 C ATOM 854 ND1 HIS A 52 4.946 -10.149 -5.820 1.00 0.00 N ATOM 855 CD2 HIS A 52 3.712 -9.160 -7.313 1.00 0.00 C ATOM 856 CE1 HIS A 52 5.745 -9.404 -6.560 1.00 0.00 C ATOM 857 NE2 HIS A 52 5.017 -8.799 -7.467 1.00 0.00 N ATOM 0 H HIS A 52 0.792 -11.067 -7.759 1.00 0.00 H new ATOM 0 HA HIS A 52 2.755 -12.724 -6.273 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.632 -9.967 -5.583 1.00 0.00 H new ATOM 0 HB3 HIS A 52 2.715 -10.902 -4.571 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.881 -8.825 -7.916 1.00 0.00 H new ATOM 0 HE1 HIS A 52 6.814 -9.309 -6.439 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.372 -8.158 -8.177 1.00 0.00 H new ATOM 866 N LEU A 53 -0.042 -13.378 -6.148 1.00 0.00 N ATOM 867 CA LEU A 53 -1.301 -13.939 -5.593 1.00 0.00 C ATOM 868 C LEU A 53 -1.163 -14.481 -4.190 1.00 0.00 C ATOM 869 O LEU A 53 -1.930 -14.111 -3.310 1.00 0.00 O ATOM 870 CB LEU A 53 -1.853 -15.056 -6.472 1.00 0.00 C ATOM 871 CG LEU A 53 -2.396 -14.664 -7.844 1.00 0.00 C ATOM 872 CD1 LEU A 53 -2.665 -15.901 -8.683 1.00 0.00 C ATOM 873 CD2 LEU A 53 -3.678 -13.852 -7.695 1.00 0.00 C ATOM 0 H LEU A 53 0.157 -13.698 -7.096 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.986 -13.091 -5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.062 -15.791 -6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.652 -15.554 -5.923 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.646 -14.054 -8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.052 -15.603 -9.658 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.738 -16.459 -8.816 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.399 -16.530 -8.179 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.053 -13.580 -8.682 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.427 -14.447 -7.173 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.471 -12.947 -7.123 1.00 0.00 H new ATOM 885 N ASP A 54 -0.184 -15.339 -3.977 1.00 0.00 N ATOM 886 CA ASP A 54 0.003 -15.980 -2.672 1.00 0.00 C ATOM 887 C ASP A 54 0.236 -14.970 -1.574 1.00 0.00 C ATOM 888 O ASP A 54 -0.142 -15.194 -0.436 1.00 0.00 O ATOM 889 CB ASP A 54 1.142 -17.014 -2.672 1.00 0.00 C ATOM 890 CG ASP A 54 2.518 -16.422 -2.877 1.00 0.00 C ATOM 891 OD1 ASP A 54 3.140 -15.979 -1.896 1.00 0.00 O ATOM 892 OD2 ASP A 54 3.006 -16.401 -4.029 1.00 0.00 O ATOM 0 H ASP A 54 0.498 -15.614 -4.684 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.930 -16.508 -2.474 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.128 -17.553 -1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.953 -17.746 -3.457 1.00 0.00 H new ATOM 897 N GLU A 55 0.880 -13.876 -1.894 1.00 0.00 N ATOM 898 CA GLU A 55 1.120 -12.849 -0.921 1.00 0.00 C ATOM 899 C GLU A 55 -0.155 -12.100 -0.636 1.00 0.00 C ATOM 900 O GLU A 55 -0.527 -11.881 0.532 1.00 0.00 O ATOM 901 CB GLU A 55 2.222 -11.909 -1.369 1.00 0.00 C ATOM 902 CG GLU A 55 2.582 -10.885 -0.321 1.00 0.00 C ATOM 903 CD GLU A 55 2.959 -11.517 1.007 1.00 0.00 C ATOM 904 OE1 GLU A 55 3.347 -12.709 1.035 1.00 0.00 O ATOM 905 OE2 GLU A 55 2.856 -10.839 2.042 1.00 0.00 O ATOM 0 H GLU A 55 1.247 -13.676 -2.824 1.00 0.00 H new ATOM 0 HA GLU A 55 1.458 -13.321 0.001 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.109 -12.491 -1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.908 -11.396 -2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.414 -10.280 -0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.739 -10.211 -0.172 1.00 0.00 H new ATOM 912 N ILE A 56 -0.835 -11.750 -1.712 1.00 0.00 N ATOM 913 CA ILE A 56 -2.099 -11.040 -1.663 1.00 0.00 C ATOM 914 C ILE A 56 -3.099 -11.829 -0.816 1.00 0.00 C ATOM 915 O ILE A 56 -3.805 -11.263 -0.017 1.00 0.00 O ATOM 916 CB ILE A 56 -2.669 -10.797 -3.101 1.00 0.00 C ATOM 917 CG1 ILE A 56 -1.641 -10.068 -3.990 1.00 0.00 C ATOM 918 CG2 ILE A 56 -3.984 -10.018 -3.070 1.00 0.00 C ATOM 919 CD1 ILE A 56 -1.175 -8.721 -3.464 1.00 0.00 C ATOM 0 H ILE A 56 -0.519 -11.955 -2.660 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.931 -10.065 -1.206 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.871 -11.778 -3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.771 -10.712 -4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.076 -9.924 -4.979 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.344 -9.872 -4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.725 -10.578 -2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.821 -9.048 -2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.455 -8.289 -4.158 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.031 -8.053 -3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.705 -8.854 -2.490 1.00 0.00 H new ATOM 931 N ARG A 57 -3.103 -13.147 -0.980 1.00 0.00 N ATOM 932 CA ARG A 57 -3.977 -14.035 -0.201 1.00 0.00 C ATOM 933 C ARG A 57 -3.680 -14.016 1.305 1.00 0.00 C ATOM 934 O ARG A 57 -4.610 -14.053 2.117 1.00 0.00 O ATOM 935 CB ARG A 57 -3.897 -15.463 -0.713 1.00 0.00 C ATOM 936 CG ARG A 57 -4.348 -15.631 -2.143 1.00 0.00 C ATOM 937 CD ARG A 57 -4.180 -17.057 -2.608 1.00 0.00 C ATOM 938 NE ARG A 57 -5.024 -17.996 -1.867 1.00 0.00 N ATOM 939 CZ ARG A 57 -5.010 -19.320 -2.044 1.00 0.00 C ATOM 940 NH1 ARG A 57 -4.139 -19.867 -2.891 1.00 0.00 N ATOM 941 NH2 ARG A 57 -5.849 -20.096 -1.369 1.00 0.00 N ATOM 0 H ARG A 57 -2.507 -13.633 -1.650 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.986 -13.647 -0.338 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.868 -15.812 -0.624 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.507 -16.102 -0.074 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.394 -15.338 -2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -3.774 -14.966 -2.788 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.420 -17.119 -3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.136 -17.350 -2.499 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.664 -17.615 -1.170 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.485 -19.275 -3.403 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.127 -20.878 -3.028 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.509 -19.682 -0.711 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.834 -21.106 -1.508 1.00 0.00 H new ATOM 955 N LYS A 58 -2.399 -13.949 1.674 1.00 0.00 N ATOM 956 CA LYS A 58 -2.008 -13.994 3.099 1.00 0.00 C ATOM 957 C LYS A 58 -2.569 -12.796 3.843 1.00 0.00 C ATOM 958 O LYS A 58 -3.188 -12.919 4.899 1.00 0.00 O ATOM 959 CB LYS A 58 -0.480 -13.997 3.295 1.00 0.00 C ATOM 960 CG LYS A 58 0.280 -15.087 2.573 1.00 0.00 C ATOM 961 CD LYS A 58 1.755 -15.060 2.958 1.00 0.00 C ATOM 962 CE LYS A 58 2.605 -15.906 2.019 1.00 0.00 C ATOM 963 NZ LYS A 58 2.659 -15.301 0.675 1.00 0.00 N ATOM 0 H LYS A 58 -1.619 -13.864 1.022 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.415 -14.925 3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.090 -13.033 2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.271 -14.081 4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.147 -16.059 2.818 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.178 -14.956 1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.114 -14.031 2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.870 -15.425 3.979 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.614 -16.002 2.421 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.191 -16.912 1.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.284 -15.866 0.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.703 -15.279 0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.028 -14.331 0.745 1.00 0.00 H new ATOM 977 N ASN A 59 -2.380 -11.640 3.277 1.00 0.00 N ATOM 978 CA ASN A 59 -2.802 -10.426 3.940 1.00 0.00 C ATOM 979 C ASN A 59 -3.732 -9.668 3.064 1.00 0.00 C ATOM 980 O ASN A 59 -3.571 -8.467 2.844 1.00 0.00 O ATOM 981 CB ASN A 59 -1.616 -9.545 4.378 1.00 0.00 C ATOM 982 CG ASN A 59 -0.703 -10.225 5.376 1.00 0.00 C ATOM 983 OD1 ASN A 59 -0.944 -10.187 6.586 1.00 0.00 O ATOM 984 ND2 ASN A 59 0.366 -10.809 4.894 1.00 0.00 N ATOM 0 H ASN A 59 -1.941 -11.505 2.366 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.322 -10.716 4.853 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.037 -9.264 3.499 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.999 -8.623 4.816 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.033 -11.253 5.525 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.531 -10.820 3.888 1.00 0.00 H new ATOM 991 N LYS A 60 -4.745 -10.366 2.593 1.00 0.00 N ATOM 992 CA LYS A 60 -5.761 -9.796 1.711 1.00 0.00 C ATOM 993 C LYS A 60 -6.492 -8.632 2.362 1.00 0.00 C ATOM 994 O LYS A 60 -7.088 -7.813 1.686 1.00 0.00 O ATOM 995 CB LYS A 60 -6.721 -10.886 1.204 1.00 0.00 C ATOM 996 CG LYS A 60 -7.381 -11.715 2.297 1.00 0.00 C ATOM 997 CD LYS A 60 -8.213 -12.858 1.717 1.00 0.00 C ATOM 998 CE LYS A 60 -9.436 -12.371 0.935 1.00 0.00 C ATOM 999 NZ LYS A 60 -10.429 -11.700 1.808 1.00 0.00 N ATOM 0 H LYS A 60 -4.894 -11.352 2.809 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.253 -9.382 0.840 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.500 -10.414 0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.171 -11.555 0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.615 -12.122 2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.019 -11.073 2.905 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.585 -13.460 1.060 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.542 -13.508 2.528 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.115 -11.680 0.155 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.907 -13.218 0.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.289 -11.493 1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.668 -12.323 2.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.028 -10.812 2.171 1.00 0.00 H new ATOM 1013 N GLU A 61 -6.421 -8.564 3.676 1.00 0.00 N ATOM 1014 CA GLU A 61 -6.957 -7.454 4.435 1.00 0.00 C ATOM 1015 C GLU A 61 -6.232 -6.186 3.996 1.00 0.00 C ATOM 1016 O GLU A 61 -6.821 -5.235 3.473 1.00 0.00 O ATOM 1017 CB GLU A 61 -6.579 -7.640 5.884 1.00 0.00 C ATOM 1018 CG GLU A 61 -6.864 -8.994 6.483 1.00 0.00 C ATOM 1019 CD GLU A 61 -6.082 -9.186 7.757 1.00 0.00 C ATOM 1020 OE1 GLU A 61 -4.851 -9.439 7.679 1.00 0.00 O ATOM 1021 OE2 GLU A 61 -6.658 -9.097 8.848 1.00 0.00 O ATOM 0 H GLU A 61 -5.985 -9.285 4.252 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.036 -7.396 4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.513 -7.438 5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.104 -6.888 6.473 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.930 -9.090 6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.604 -9.775 5.769 1.00 0.00 H new ATOM 1028 N PHE A 62 -4.918 -6.254 4.156 1.00 0.00 N ATOM 1029 CA PHE A 62 -4.001 -5.179 3.900 1.00 0.00 C ATOM 1030 C PHE A 62 -3.986 -4.854 2.425 1.00 0.00 C ATOM 1031 O PHE A 62 -4.201 -3.710 2.028 1.00 0.00 O ATOM 1032 CB PHE A 62 -2.594 -5.618 4.376 1.00 0.00 C ATOM 1033 CG PHE A 62 -1.492 -4.620 4.144 1.00 0.00 C ATOM 1034 CD1 PHE A 62 -1.216 -3.647 5.081 1.00 0.00 C ATOM 1035 CD2 PHE A 62 -0.731 -4.663 2.985 1.00 0.00 C ATOM 1036 CE1 PHE A 62 -0.208 -2.734 4.872 1.00 0.00 C ATOM 1037 CE2 PHE A 62 0.278 -3.754 2.770 1.00 0.00 C ATOM 1038 CZ PHE A 62 0.539 -2.787 3.713 1.00 0.00 C ATOM 0 H PHE A 62 -4.453 -7.101 4.482 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.308 -4.283 4.439 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.643 -5.838 5.442 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.332 -6.547 3.870 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.798 -3.601 5.990 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.934 -5.420 2.242 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.002 -1.977 5.614 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.864 -3.799 1.864 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.329 -2.069 3.546 1.00 0.00 H new ATOM 1048 N TYR A 63 -3.800 -5.880 1.621 1.00 0.00 N ATOM 1049 CA TYR A 63 -3.669 -5.719 0.200 1.00 0.00 C ATOM 1050 C TYR A 63 -4.941 -5.240 -0.477 1.00 0.00 C ATOM 1051 O TYR A 63 -4.868 -4.590 -1.511 1.00 0.00 O ATOM 1052 CB TYR A 63 -3.084 -6.969 -0.471 1.00 0.00 C ATOM 1053 CG TYR A 63 -1.659 -7.270 -0.022 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -0.612 -6.422 -0.364 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -1.369 -8.376 0.756 1.00 0.00 C ATOM 1056 CE1 TYR A 63 0.686 -6.678 0.060 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -0.082 -8.638 1.187 1.00 0.00 C ATOM 1058 CZ TYR A 63 0.941 -7.791 0.840 1.00 0.00 C ATOM 1059 OH TYR A 63 2.225 -8.059 1.278 1.00 0.00 O ATOM 0 H TYR A 63 -3.736 -6.847 1.941 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.948 -4.914 0.060 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.719 -7.826 -0.247 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.098 -6.835 -1.553 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.811 -5.550 -0.969 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.166 -9.050 1.033 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.490 -6.013 -0.218 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.118 -9.507 1.796 1.00 0.00 H new ATOM 0 HH TYR A 63 2.286 -8.996 1.558 1.00 0.00 H new ATOM 1069 N ASP A 64 -6.104 -5.510 0.103 1.00 0.00 N ATOM 1070 CA ASP A 64 -7.335 -5.026 -0.528 1.00 0.00 C ATOM 1071 C ASP A 64 -7.592 -3.589 -0.122 1.00 0.00 C ATOM 1072 O ASP A 64 -7.976 -2.756 -0.946 1.00 0.00 O ATOM 1073 CB ASP A 64 -8.541 -5.903 -0.208 1.00 0.00 C ATOM 1074 CG ASP A 64 -9.798 -5.449 -0.923 1.00 0.00 C ATOM 1075 OD1 ASP A 64 -9.954 -5.729 -2.126 1.00 0.00 O ATOM 1076 OD2 ASP A 64 -10.667 -4.847 -0.289 1.00 0.00 O ATOM 0 H ASP A 64 -6.226 -6.036 0.968 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.192 -5.077 -1.607 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.321 -6.933 -0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.716 -5.895 0.868 1.00 0.00 H new ATOM 1081 N MET A 65 -7.323 -3.286 1.146 1.00 0.00 N ATOM 1082 CA MET A 65 -7.486 -1.937 1.649 1.00 0.00 C ATOM 1083 C MET A 65 -6.541 -0.977 0.971 1.00 0.00 C ATOM 1084 O MET A 65 -6.957 0.097 0.557 1.00 0.00 O ATOM 1085 CB MET A 65 -7.360 -1.858 3.175 1.00 0.00 C ATOM 1086 CG MET A 65 -8.522 -2.509 3.893 1.00 0.00 C ATOM 1087 SD MET A 65 -8.505 -2.292 5.696 1.00 0.00 S ATOM 1088 CE MET A 65 -6.988 -3.121 6.126 1.00 0.00 C ATOM 0 H MET A 65 -6.992 -3.959 1.837 1.00 0.00 H new ATOM 0 HA MET A 65 -8.504 -1.636 1.403 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.432 -2.339 3.484 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.292 -0.813 3.476 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.452 -2.100 3.499 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.522 -3.575 3.667 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.552 -2.648 7.006 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.195 -4.169 6.342 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.288 -3.054 5.293 1.00 0.00 H new ATOM 1098 N ILE A 66 -5.271 -1.366 0.807 1.00 0.00 N ATOM 1099 CA ILE A 66 -4.335 -0.488 0.123 1.00 0.00 C ATOM 1100 C ILE A 66 -4.762 -0.254 -1.313 1.00 0.00 C ATOM 1101 O ILE A 66 -4.676 0.851 -1.784 1.00 0.00 O ATOM 1102 CB ILE A 66 -2.842 -0.931 0.165 1.00 0.00 C ATOM 1103 CG1 ILE A 66 -2.640 -2.315 -0.442 1.00 0.00 C ATOM 1104 CG2 ILE A 66 -2.312 -0.889 1.587 1.00 0.00 C ATOM 1105 CD1 ILE A 66 -1.193 -2.660 -0.695 1.00 0.00 C ATOM 0 H ILE A 66 -4.884 -2.253 1.129 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.377 0.441 0.692 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.276 -0.224 -0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.071 -3.061 0.225 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.188 -2.373 -1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.268 -1.202 1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.390 0.127 1.974 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.897 -1.562 2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.127 -3.659 -1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.762 -1.936 -1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.643 -2.635 0.246 1.00 0.00 H new ATOM 1117 N ALA A 67 -5.278 -1.297 -1.972 1.00 0.00 N ATOM 1118 CA ALA A 67 -5.751 -1.203 -3.359 1.00 0.00 C ATOM 1119 C ALA A 67 -6.744 -0.062 -3.542 1.00 0.00 C ATOM 1120 O ALA A 67 -6.630 0.716 -4.485 1.00 0.00 O ATOM 1121 CB ALA A 67 -6.363 -2.519 -3.817 1.00 0.00 C ATOM 0 H ALA A 67 -5.380 -2.226 -1.562 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.882 -0.989 -3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.705 -2.422 -4.847 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.615 -3.309 -3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.208 -2.770 -3.176 1.00 0.00 H new ATOM 1127 N GLU A 68 -7.700 0.063 -2.638 1.00 0.00 N ATOM 1128 CA GLU A 68 -8.663 1.139 -2.749 1.00 0.00 C ATOM 1129 C GLU A 68 -8.060 2.499 -2.359 1.00 0.00 C ATOM 1130 O GLU A 68 -8.355 3.509 -2.997 1.00 0.00 O ATOM 1131 CB GLU A 68 -9.989 0.834 -2.026 1.00 0.00 C ATOM 1132 CG GLU A 68 -9.874 0.466 -0.563 1.00 0.00 C ATOM 1133 CD GLU A 68 -11.220 0.193 0.057 1.00 0.00 C ATOM 1134 OE1 GLU A 68 -11.909 1.153 0.437 1.00 0.00 O ATOM 1135 OE2 GLU A 68 -11.627 -0.989 0.160 1.00 0.00 O ATOM 0 H GLU A 68 -7.828 -0.554 -1.836 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.922 1.214 -3.805 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.636 1.707 -2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.486 0.016 -2.548 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.241 -0.416 -0.459 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.383 1.276 -0.023 1.00 0.00 H new ATOM 1142 N ILE A 69 -7.176 2.508 -1.358 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.497 3.745 -0.922 1.00 0.00 C ATOM 1144 C ILE A 69 -5.612 4.288 -2.042 1.00 0.00 C ATOM 1145 O ILE A 69 -5.640 5.480 -2.340 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.610 3.507 0.323 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -6.441 2.977 1.474 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -4.895 4.801 0.743 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -5.618 2.575 2.665 1.00 0.00 C ATOM 0 H ILE A 69 -6.909 1.677 -0.831 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.278 4.462 -0.670 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.856 2.765 0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.158 3.740 1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.017 2.117 1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.278 4.607 1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.264 5.150 -0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.635 5.565 0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.274 2.205 3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.919 1.790 2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.063 3.438 3.032 1.00 0.00 H new ATOM 1161 N LEU A 70 -4.839 3.397 -2.659 1.00 0.00 N ATOM 1162 CA LEU A 70 -3.931 3.738 -3.754 1.00 0.00 C ATOM 1163 C LEU A 70 -4.667 4.456 -4.865 1.00 0.00 C ATOM 1164 O LEU A 70 -4.217 5.481 -5.348 1.00 0.00 O ATOM 1165 CB LEU A 70 -3.246 2.470 -4.288 1.00 0.00 C ATOM 1166 CG LEU A 70 -2.307 1.757 -3.306 1.00 0.00 C ATOM 1167 CD1 LEU A 70 -1.923 0.388 -3.824 1.00 0.00 C ATOM 1168 CD2 LEU A 70 -1.064 2.588 -3.057 1.00 0.00 C ATOM 0 H LEU A 70 -4.825 2.408 -2.411 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.167 4.413 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.018 1.766 -4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.677 2.735 -5.179 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.839 1.632 -2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.257 -0.097 -3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.820 -0.217 -3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.414 0.491 -4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.411 2.065 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.537 2.745 -3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.349 3.552 -2.636 1.00 0.00 H new ATOM 1180 N GLN A 71 -5.817 3.937 -5.222 1.00 0.00 N ATOM 1181 CA GLN A 71 -6.635 4.526 -6.263 1.00 0.00 C ATOM 1182 C GLN A 71 -7.166 5.897 -5.821 1.00 0.00 C ATOM 1183 O GLN A 71 -7.014 6.901 -6.527 1.00 0.00 O ATOM 1184 CB GLN A 71 -7.796 3.595 -6.594 1.00 0.00 C ATOM 1185 CG GLN A 71 -7.370 2.221 -7.093 1.00 0.00 C ATOM 1186 CD GLN A 71 -8.546 1.306 -7.329 1.00 0.00 C ATOM 1187 OE1 GLN A 71 -9.126 1.274 -8.420 1.00 0.00 O ATOM 1188 NE2 GLN A 71 -8.888 0.541 -6.331 1.00 0.00 N ATOM 0 H GLN A 71 -6.214 3.097 -4.802 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.022 4.666 -7.154 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.413 3.471 -5.704 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.421 4.067 -7.352 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.808 2.332 -8.020 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.698 1.765 -6.365 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.382 0.599 -5.447 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.661 -0.116 -6.434 1.00 0.00 H new ATOM 1197 N ARG A 72 -7.725 5.926 -4.632 1.00 0.00 N ATOM 1198 CA ARG A 72 -8.336 7.086 -4.050 1.00 0.00 C ATOM 1199 C ARG A 72 -7.322 8.238 -3.871 1.00 0.00 C ATOM 1200 O ARG A 72 -7.596 9.394 -4.210 1.00 0.00 O ATOM 1201 CB ARG A 72 -8.880 6.624 -2.717 1.00 0.00 C ATOM 1202 CG ARG A 72 -9.689 7.595 -1.925 1.00 0.00 C ATOM 1203 CD ARG A 72 -10.157 6.904 -0.659 1.00 0.00 C ATOM 1204 NE ARG A 72 -10.983 5.719 -0.954 1.00 0.00 N ATOM 1205 CZ ARG A 72 -10.968 4.555 -0.272 1.00 0.00 C ATOM 1206 NH1 ARG A 72 -10.160 4.379 0.766 1.00 0.00 N ATOM 1207 NH2 ARG A 72 -11.769 3.568 -0.658 1.00 0.00 N ATOM 0 H ARG A 72 -7.765 5.107 -4.025 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.120 7.486 -4.692 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.494 5.741 -2.893 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.037 6.309 -2.102 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.093 8.474 -1.680 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.543 7.941 -2.507 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.292 6.605 -0.067 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.731 7.605 -0.053 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.624 5.785 -1.745 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.537 5.131 1.060 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.162 3.492 1.270 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.385 3.696 -1.461 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.768 2.683 -0.152 1.00 0.00 H new ATOM 1221 N TYR A 73 -6.156 7.920 -3.366 1.00 0.00 N ATOM 1222 CA TYR A 73 -5.159 8.924 -3.088 1.00 0.00 C ATOM 1223 C TYR A 73 -4.231 9.234 -4.231 1.00 0.00 C ATOM 1224 O TYR A 73 -3.591 10.290 -4.223 1.00 0.00 O ATOM 1225 CB TYR A 73 -4.431 8.693 -1.768 1.00 0.00 C ATOM 1226 CG TYR A 73 -5.267 9.115 -0.596 1.00 0.00 C ATOM 1227 CD1 TYR A 73 -6.369 8.382 -0.199 1.00 0.00 C ATOM 1228 CD2 TYR A 73 -4.984 10.291 0.080 1.00 0.00 C ATOM 1229 CE1 TYR A 73 -7.168 8.806 0.829 1.00 0.00 C ATOM 1230 CE2 TYR A 73 -5.771 10.712 1.124 1.00 0.00 C ATOM 1231 CZ TYR A 73 -6.868 9.968 1.489 1.00 0.00 C ATOM 1232 OH TYR A 73 -7.690 10.410 2.492 1.00 0.00 O ATOM 0 H TYR A 73 -5.873 6.967 -3.138 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.735 9.841 -2.964 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.175 7.638 -1.672 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.494 9.249 -1.766 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.604 7.459 -0.708 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.133 10.885 -0.218 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.032 8.226 1.118 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.530 11.621 1.655 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.183 10.467 3.329 1.00 0.00 H new ATOM 1242 N TYR A 74 -4.138 8.366 -5.225 1.00 0.00 N ATOM 1243 CA TYR A 74 -3.363 8.722 -6.405 1.00 0.00 C ATOM 1244 C TYR A 74 -4.091 9.861 -7.127 1.00 0.00 C ATOM 1245 O TYR A 74 -3.473 10.733 -7.741 1.00 0.00 O ATOM 1246 CB TYR A 74 -3.063 7.496 -7.328 1.00 0.00 C ATOM 1247 CG TYR A 74 -3.683 7.524 -8.716 1.00 0.00 C ATOM 1248 CD1 TYR A 74 -4.934 6.989 -8.942 1.00 0.00 C ATOM 1249 CD2 TYR A 74 -3.008 8.089 -9.796 1.00 0.00 C ATOM 1250 CE1 TYR A 74 -5.504 7.016 -10.190 1.00 0.00 C ATOM 1251 CE2 TYR A 74 -3.578 8.115 -11.055 1.00 0.00 C ATOM 1252 CZ TYR A 74 -4.828 7.578 -11.243 1.00 0.00 C ATOM 1253 OH TYR A 74 -5.418 7.621 -12.491 1.00 0.00 O ATOM 0 H TYR A 74 -4.571 7.443 -5.243 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.375 9.068 -6.101 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.982 7.409 -7.439 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.405 6.594 -6.820 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.475 6.541 -8.122 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.026 8.513 -9.647 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.486 6.594 -10.343 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.044 8.554 -11.885 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.725 7.713 -13.178 1.00 0.00 H new ATOM 1263 N LYS A 75 -5.414 9.870 -6.978 1.00 0.00 N ATOM 1264 CA LYS A 75 -6.244 10.928 -7.513 1.00 0.00 C ATOM 1265 C LYS A 75 -6.060 12.221 -6.716 1.00 0.00 C ATOM 1266 O LYS A 75 -6.168 13.305 -7.263 1.00 0.00 O ATOM 1267 CB LYS A 75 -7.731 10.542 -7.493 1.00 0.00 C ATOM 1268 CG LYS A 75 -8.131 9.377 -8.388 1.00 0.00 C ATOM 1269 CD LYS A 75 -7.813 9.658 -9.844 1.00 0.00 C ATOM 1270 CE LYS A 75 -8.467 8.638 -10.764 1.00 0.00 C ATOM 1271 NZ LYS A 75 -8.061 8.826 -12.174 1.00 0.00 N ATOM 0 H LYS A 75 -5.932 9.143 -6.484 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.931 11.085 -8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.009 10.298 -6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.316 11.415 -7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.609 8.475 -8.068 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.198 9.183 -8.279 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.156 10.659 -10.106 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.733 9.643 -9.991 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.199 7.632 -10.440 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.551 8.720 -10.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.753 8.365 -12.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.021 9.842 -12.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.123 8.403 -12.325 1.00 0.00 H new ATOM 1285 N LYS A 76 -5.782 12.100 -5.422 1.00 0.00 N ATOM 1286 CA LYS A 76 -5.644 13.287 -4.578 1.00 0.00 C ATOM 1287 C LYS A 76 -4.227 13.858 -4.603 1.00 0.00 C ATOM 1288 O LYS A 76 -4.031 15.034 -4.884 1.00 0.00 O ATOM 1289 CB LYS A 76 -6.004 12.996 -3.107 1.00 0.00 C ATOM 1290 CG LYS A 76 -7.438 12.567 -2.823 1.00 0.00 C ATOM 1291 CD LYS A 76 -7.657 12.485 -1.312 1.00 0.00 C ATOM 1292 CE LYS A 76 -9.073 12.077 -0.933 1.00 0.00 C ATOM 1293 NZ LYS A 76 -9.279 12.119 0.545 1.00 0.00 N ATOM 0 H LYS A 76 -5.649 11.211 -4.940 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.340 14.014 -4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.337 12.215 -2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.795 13.892 -2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.136 13.279 -3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.637 11.599 -3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.954 11.769 -0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.433 13.454 -0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.787 12.742 -1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.273 11.071 -1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.259 11.852 0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.626 11.453 1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.095 13.081 0.894 1.00 0.00 H new ATOM 1307 N ILE A 77 -3.242 13.020 -4.349 1.00 0.00 N ATOM 1308 CA ILE A 77 -1.872 13.503 -4.200 1.00 0.00 C ATOM 1309 C ILE A 77 -0.912 12.876 -5.192 1.00 0.00 C ATOM 1310 O ILE A 77 0.107 13.460 -5.518 1.00 0.00 O ATOM 1311 CB ILE A 77 -1.333 13.306 -2.751 1.00 0.00 C ATOM 1312 CG1 ILE A 77 -1.459 11.829 -2.317 1.00 0.00 C ATOM 1313 CG2 ILE A 77 -2.053 14.238 -1.774 1.00 0.00 C ATOM 1314 CD1 ILE A 77 -0.926 11.529 -0.935 1.00 0.00 C ATOM 0 H ILE A 77 -3.355 12.012 -4.241 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.922 14.571 -4.413 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.275 13.566 -2.739 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.510 11.541 -2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.930 11.206 -3.039 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.661 14.084 -0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.890 15.274 -2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.121 14.021 -1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.057 10.469 -0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.134 11.781 -0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.470 12.121 -0.199 1.00 0.00 H new ATOM 1326 N GLY A 78 -1.211 11.684 -5.638 1.00 0.00 N ATOM 1327 CA GLY A 78 -0.351 11.052 -6.608 1.00 0.00 C ATOM 1328 C GLY A 78 0.169 9.738 -6.117 1.00 0.00 C ATOM 1329 O GLY A 78 0.432 9.591 -4.922 1.00 0.00 O ATOM 0 H GLY A 78 -2.025 11.139 -5.354 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.900 10.901 -7.537 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.486 11.712 -6.836 1.00 0.00 H new ATOM 1333 N ILE A 79 0.357 8.799 -7.031 1.00 0.00 N ATOM 1334 CA ILE A 79 0.736 7.431 -6.683 1.00 0.00 C ATOM 1335 C ILE A 79 2.097 7.360 -5.967 1.00 0.00 C ATOM 1336 O ILE A 79 2.236 6.628 -4.987 1.00 0.00 O ATOM 1337 CB ILE A 79 0.682 6.452 -7.918 1.00 0.00 C ATOM 1338 CG1 ILE A 79 0.972 5.001 -7.500 1.00 0.00 C ATOM 1339 CG2 ILE A 79 1.627 6.880 -9.039 1.00 0.00 C ATOM 1340 CD1 ILE A 79 -0.028 4.427 -6.516 1.00 0.00 C ATOM 0 H ILE A 79 0.253 8.959 -8.033 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.017 7.088 -5.974 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.335 6.504 -8.306 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.989 4.374 -8.392 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.968 4.954 -7.059 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.553 6.174 -9.866 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.352 7.876 -9.386 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.651 6.896 -8.666 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.249 3.401 -6.273 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.029 5.028 -5.606 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.023 4.439 -6.960 1.00 0.00 H new ATOM 1352 N GLU A 80 3.065 8.164 -6.423 1.00 0.00 N ATOM 1353 CA GLU A 80 4.410 8.187 -5.836 1.00 0.00 C ATOM 1354 C GLU A 80 4.326 8.483 -4.343 1.00 0.00 C ATOM 1355 O GLU A 80 4.940 7.804 -3.506 1.00 0.00 O ATOM 1356 CB GLU A 80 5.303 9.264 -6.487 1.00 0.00 C ATOM 1357 CG GLU A 80 5.393 9.228 -8.011 1.00 0.00 C ATOM 1358 CD GLU A 80 4.316 10.051 -8.688 1.00 0.00 C ATOM 1359 OE1 GLU A 80 3.143 9.677 -8.647 1.00 0.00 O ATOM 1360 OE2 GLU A 80 4.646 11.115 -9.266 1.00 0.00 O ATOM 0 H GLU A 80 2.940 8.811 -7.202 1.00 0.00 H new ATOM 0 HA GLU A 80 4.850 7.205 -6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.932 10.244 -6.188 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.310 9.167 -6.081 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.371 9.596 -8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.319 8.194 -8.349 1.00 0.00 H new ATOM 1367 N ASN A 81 3.531 9.480 -4.040 1.00 0.00 N ATOM 1368 CA ASN A 81 3.303 9.943 -2.682 1.00 0.00 C ATOM 1369 C ASN A 81 2.613 8.896 -1.847 1.00 0.00 C ATOM 1370 O ASN A 81 3.017 8.638 -0.713 1.00 0.00 O ATOM 1371 CB ASN A 81 2.470 11.230 -2.682 1.00 0.00 C ATOM 1372 CG ASN A 81 3.229 12.425 -3.207 1.00 0.00 C ATOM 1373 OD1 ASN A 81 4.432 12.537 -3.020 1.00 0.00 O ATOM 1374 ND2 ASN A 81 2.555 13.292 -3.902 1.00 0.00 N ATOM 0 H ASN A 81 3.011 10.007 -4.741 1.00 0.00 H new ATOM 0 HA ASN A 81 4.280 10.144 -2.242 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.577 11.078 -3.289 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.133 11.438 -1.666 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.029 14.097 -4.311 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.552 13.167 -4.038 1.00 0.00 H new ATOM 1381 N VAL A 82 1.598 8.264 -2.416 1.00 0.00 N ATOM 1382 CA VAL A 82 0.815 7.277 -1.687 1.00 0.00 C ATOM 1383 C VAL A 82 1.667 6.075 -1.343 1.00 0.00 C ATOM 1384 O VAL A 82 1.621 5.594 -0.220 1.00 0.00 O ATOM 1385 CB VAL A 82 -0.445 6.813 -2.456 1.00 0.00 C ATOM 1386 CG1 VAL A 82 -1.318 5.930 -1.573 1.00 0.00 C ATOM 1387 CG2 VAL A 82 -1.235 7.995 -2.937 1.00 0.00 C ATOM 0 H VAL A 82 1.297 8.416 -3.379 1.00 0.00 H new ATOM 0 HA VAL A 82 0.476 7.769 -0.776 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.119 6.233 -3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.199 5.614 -2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.751 5.052 -1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.629 6.491 -0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.117 7.648 -3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.545 8.598 -2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.618 8.599 -3.602 1.00 0.00 H new ATOM 1397 N ASN A 83 2.476 5.628 -2.300 1.00 0.00 N ATOM 1398 CA ASN A 83 3.368 4.484 -2.084 1.00 0.00 C ATOM 1399 C ASN A 83 4.291 4.740 -0.909 1.00 0.00 C ATOM 1400 O ASN A 83 4.443 3.899 -0.019 1.00 0.00 O ATOM 1401 CB ASN A 83 4.202 4.144 -3.340 1.00 0.00 C ATOM 1402 CG ASN A 83 3.365 3.632 -4.497 1.00 0.00 C ATOM 1403 OD1 ASN A 83 2.298 3.073 -4.305 1.00 0.00 O ATOM 1404 ND2 ASN A 83 3.858 3.766 -5.696 1.00 0.00 N ATOM 0 H ASN A 83 2.535 6.037 -3.232 1.00 0.00 H new ATOM 0 HA ASN A 83 2.732 3.626 -1.866 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.744 5.034 -3.659 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.948 3.393 -3.080 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.349 3.399 -6.500 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.752 4.238 -5.830 1.00 0.00 H new ATOM 1411 N GLN A 84 4.849 5.933 -0.873 1.00 0.00 N ATOM 1412 CA GLN A 84 5.750 6.337 0.196 1.00 0.00 C ATOM 1413 C GLN A 84 4.957 6.375 1.520 1.00 0.00 C ATOM 1414 O GLN A 84 5.418 5.885 2.548 1.00 0.00 O ATOM 1415 CB GLN A 84 6.334 7.728 -0.128 1.00 0.00 C ATOM 1416 CG GLN A 84 7.677 8.106 0.549 1.00 0.00 C ATOM 1417 CD GLN A 84 7.674 8.091 2.071 1.00 0.00 C ATOM 1418 OE1 GLN A 84 7.332 9.082 2.714 1.00 0.00 O ATOM 1419 NE2 GLN A 84 8.124 7.005 2.660 1.00 0.00 N ATOM 0 H GLN A 84 4.693 6.651 -1.581 1.00 0.00 H new ATOM 0 HA GLN A 84 6.573 5.629 0.291 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.469 7.795 -1.208 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.593 8.478 0.148 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.446 7.418 0.198 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.964 9.103 0.214 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.400 6.198 2.100 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.197 6.969 3.677 1.00 0.00 H new ATOM 1428 N LEU A 85 3.755 6.915 1.477 1.00 0.00 N ATOM 1429 CA LEU A 85 2.922 7.015 2.665 1.00 0.00 C ATOM 1430 C LEU A 85 2.493 5.647 3.190 1.00 0.00 C ATOM 1431 O LEU A 85 2.456 5.443 4.402 1.00 0.00 O ATOM 1432 CB LEU A 85 1.725 7.944 2.450 1.00 0.00 C ATOM 1433 CG LEU A 85 2.069 9.414 2.160 1.00 0.00 C ATOM 1434 CD1 LEU A 85 0.813 10.235 1.983 1.00 0.00 C ATOM 1435 CD2 LEU A 85 2.943 10.004 3.261 1.00 0.00 C ATOM 0 H LEU A 85 3.330 7.293 0.630 1.00 0.00 H new ATOM 0 HA LEU A 85 3.541 7.467 3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.132 7.558 1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.094 7.905 3.338 1.00 0.00 H new ATOM 0 HG LEU A 85 2.634 9.444 1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.082 11.271 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.234 9.839 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.216 10.188 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.169 11.044 3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.414 9.952 4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.872 9.438 3.331 1.00 0.00 H new ATOM 1447 N ILE A 86 2.209 4.709 2.298 1.00 0.00 N ATOM 1448 CA ILE A 86 1.871 3.341 2.701 1.00 0.00 C ATOM 1449 C ILE A 86 3.081 2.711 3.394 1.00 0.00 C ATOM 1450 O ILE A 86 2.952 2.060 4.436 1.00 0.00 O ATOM 1451 CB ILE A 86 1.411 2.459 1.491 1.00 0.00 C ATOM 1452 CG1 ILE A 86 0.129 3.030 0.840 1.00 0.00 C ATOM 1453 CG2 ILE A 86 1.197 0.998 1.903 1.00 0.00 C ATOM 1454 CD1 ILE A 86 -1.070 3.138 1.774 1.00 0.00 C ATOM 0 H ILE A 86 2.204 4.865 1.290 1.00 0.00 H new ATOM 0 HA ILE A 86 1.028 3.389 3.390 1.00 0.00 H new ATOM 0 HB ILE A 86 2.213 2.484 0.753 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.351 4.020 0.441 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.143 2.399 -0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.879 0.419 1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.130 0.589 2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.430 0.946 2.676 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.920 3.548 1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.325 2.149 2.154 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.823 3.795 2.608 1.00 0.00 H new ATOM 1466 N LEU A 87 4.261 2.968 2.842 1.00 0.00 N ATOM 1467 CA LEU A 87 5.510 2.510 3.437 1.00 0.00 C ATOM 1468 C LEU A 87 5.713 3.144 4.804 1.00 0.00 C ATOM 1469 O LEU A 87 6.129 2.493 5.735 1.00 0.00 O ATOM 1470 CB LEU A 87 6.694 2.815 2.523 1.00 0.00 C ATOM 1471 CG LEU A 87 6.703 2.076 1.190 1.00 0.00 C ATOM 1472 CD1 LEU A 87 7.888 2.502 0.351 1.00 0.00 C ATOM 1473 CD2 LEU A 87 6.722 0.573 1.421 1.00 0.00 C ATOM 0 H LEU A 87 4.379 3.495 1.977 1.00 0.00 H new ATOM 0 HA LEU A 87 5.450 1.429 3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.710 3.887 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.614 2.576 3.057 1.00 0.00 H new ATOM 0 HG LEU A 87 5.793 2.332 0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.876 1.963 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.832 3.574 0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.811 2.277 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.728 0.057 0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.615 0.303 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.836 0.280 1.984 1.00 0.00 H new ATOM 1485 N THR A 88 5.365 4.400 4.909 1.00 0.00 N ATOM 1486 CA THR A 88 5.436 5.142 6.157 1.00 0.00 C ATOM 1487 C THR A 88 4.467 4.538 7.209 1.00 0.00 C ATOM 1488 O THR A 88 4.742 4.544 8.407 1.00 0.00 O ATOM 1489 CB THR A 88 5.108 6.636 5.903 1.00 0.00 C ATOM 1490 OG1 THR A 88 5.990 7.146 4.883 1.00 0.00 O ATOM 1491 CG2 THR A 88 5.278 7.472 7.169 1.00 0.00 C ATOM 0 H THR A 88 5.018 4.951 4.124 1.00 0.00 H new ATOM 0 HA THR A 88 6.449 5.069 6.552 1.00 0.00 H new ATOM 0 HB THR A 88 4.068 6.705 5.585 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.831 6.666 4.043 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.039 8.513 6.952 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.607 7.100 7.944 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.309 7.401 7.516 1.00 0.00 H new ATOM 1499 N THR A 89 3.351 4.025 6.733 1.00 0.00 N ATOM 1500 CA THR A 89 2.329 3.430 7.573 1.00 0.00 C ATOM 1501 C THR A 89 2.801 2.094 8.166 1.00 0.00 C ATOM 1502 O THR A 89 2.510 1.775 9.316 1.00 0.00 O ATOM 1503 CB THR A 89 1.050 3.220 6.747 1.00 0.00 C ATOM 1504 OG1 THR A 89 0.694 4.467 6.165 1.00 0.00 O ATOM 1505 CG2 THR A 89 -0.109 2.728 7.607 1.00 0.00 C ATOM 0 H THR A 89 3.124 4.009 5.739 1.00 0.00 H new ATOM 0 HA THR A 89 2.125 4.107 8.402 1.00 0.00 H new ATOM 0 HB THR A 89 1.246 2.462 5.988 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.281 4.568 6.178 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.993 2.593 6.984 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.158 1.777 8.069 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.322 3.462 8.384 1.00 0.00 H new ATOM 1513 N ILE A 90 3.532 1.323 7.388 1.00 0.00 N ATOM 1514 CA ILE A 90 4.021 0.055 7.884 1.00 0.00 C ATOM 1515 C ILE A 90 5.365 0.206 8.576 1.00 0.00 C ATOM 1516 O ILE A 90 5.694 -0.561 9.493 1.00 0.00 O ATOM 1517 CB ILE A 90 4.119 -1.038 6.787 1.00 0.00 C ATOM 1518 CG1 ILE A 90 5.049 -0.599 5.643 1.00 0.00 C ATOM 1519 CG2 ILE A 90 2.734 -1.375 6.263 1.00 0.00 C ATOM 1520 CD1 ILE A 90 5.308 -1.666 4.607 1.00 0.00 C ATOM 0 H ILE A 90 3.796 1.546 6.428 1.00 0.00 H new ATOM 0 HA ILE A 90 3.277 -0.276 8.609 1.00 0.00 H new ATOM 0 HB ILE A 90 4.551 -1.934 7.232 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.614 0.271 5.151 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.002 -0.282 6.067 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.813 -2.143 5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.115 -1.743 7.081 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.278 -0.481 5.838 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.972 -1.273 3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.774 -2.529 5.082 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.365 -1.968 4.152 1.00 0.00 H new ATOM 1532 N LYS A 91 6.144 1.177 8.157 1.00 0.00 N ATOM 1533 CA LYS A 91 7.442 1.364 8.720 1.00 0.00 C ATOM 1534 C LYS A 91 7.383 2.357 9.865 1.00 0.00 C ATOM 1535 O LYS A 91 7.575 3.570 9.693 1.00 0.00 O ATOM 1536 CB LYS A 91 8.467 1.778 7.652 1.00 0.00 C ATOM 1537 CG LYS A 91 9.906 1.662 8.100 1.00 0.00 C ATOM 1538 CD LYS A 91 10.195 0.238 8.525 1.00 0.00 C ATOM 1539 CE LYS A 91 11.616 0.059 8.957 1.00 0.00 C ATOM 1540 NZ LYS A 91 11.817 -1.272 9.557 1.00 0.00 N ATOM 0 H LYS A 91 5.893 1.844 7.428 1.00 0.00 H new ATOM 0 HA LYS A 91 7.781 0.409 9.123 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.323 1.160 6.766 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.272 2.809 7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.574 1.952 7.289 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.095 2.345 8.929 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.530 -0.038 9.343 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.980 -0.438 7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.279 0.181 8.101 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.882 0.832 9.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.810 -1.375 9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.199 -1.376 10.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.584 -2.006 8.858 1.00 0.00 H new ATOM 1554 N LEU A 92 7.068 1.844 11.013 1.00 0.00 N ATOM 1555 CA LEU A 92 6.926 2.640 12.204 1.00 0.00 C ATOM 1556 C LEU A 92 8.165 2.489 13.058 1.00 0.00 C ATOM 1557 O LEU A 92 8.988 1.576 12.825 1.00 0.00 O ATOM 1558 CB LEU A 92 5.701 2.162 12.989 1.00 0.00 C ATOM 1559 CG LEU A 92 4.372 2.161 12.228 1.00 0.00 C ATOM 1560 CD1 LEU A 92 3.269 1.568 13.080 1.00 0.00 C ATOM 1561 CD2 LEU A 92 4.002 3.568 11.784 1.00 0.00 C ATOM 0 H LEU A 92 6.899 0.848 11.157 1.00 0.00 H new ATOM 0 HA LEU A 92 6.798 3.688 11.933 1.00 0.00 H new ATOM 0 HB2 LEU A 92 5.894 1.150 13.343 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.591 2.793 13.871 1.00 0.00 H new ATOM 0 HG LEU A 92 4.492 1.542 11.339 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.333 1.576 12.521 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.525 0.542 13.344 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.154 2.158 13.989 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.055 3.542 11.246 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.905 4.212 12.658 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.781 3.960 11.130 1.00 0.00 H new ATOM 1573 N GLU A 93 8.326 3.365 14.014 1.00 0.00 N ATOM 1574 CA GLU A 93 9.421 3.265 14.929 1.00 0.00 C ATOM 1575 C GLU A 93 8.896 2.457 16.110 1.00 0.00 C ATOM 1576 O GLU A 93 8.116 2.957 16.931 1.00 0.00 O ATOM 1577 CB GLU A 93 9.898 4.666 15.346 1.00 0.00 C ATOM 1578 CG GLU A 93 11.363 4.745 15.791 1.00 0.00 C ATOM 1579 CD GLU A 93 11.680 3.962 17.032 1.00 0.00 C ATOM 1580 OE1 GLU A 93 11.792 2.726 16.966 1.00 0.00 O ATOM 1581 OE2 GLU A 93 11.821 4.574 18.100 1.00 0.00 O ATOM 0 H GLU A 93 7.706 4.159 14.176 1.00 0.00 H new ATOM 0 HA GLU A 93 10.289 2.775 14.488 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.751 5.348 14.508 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.267 5.021 16.161 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.996 4.387 14.979 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.622 5.790 15.960 1.00 0.00 H new ATOM 1588 N HIS A 94 9.312 1.217 16.171 1.00 0.00 N ATOM 1589 CA HIS A 94 8.764 0.251 17.105 1.00 0.00 C ATOM 1590 C HIS A 94 9.180 0.545 18.550 1.00 0.00 C ATOM 1591 O HIS A 94 8.502 0.143 19.494 1.00 0.00 O ATOM 1592 CB HIS A 94 9.188 -1.161 16.693 1.00 0.00 C ATOM 1593 CG HIS A 94 8.288 -2.245 17.208 1.00 0.00 C ATOM 1594 ND1 HIS A 94 7.350 -2.860 16.419 1.00 0.00 N ATOM 1595 CD2 HIS A 94 8.190 -2.833 18.421 1.00 0.00 C ATOM 1596 CE1 HIS A 94 6.717 -3.769 17.114 1.00 0.00 C ATOM 1597 NE2 HIS A 94 7.206 -3.776 18.331 1.00 0.00 N ATOM 0 H HIS A 94 10.046 0.841 15.571 1.00 0.00 H new ATOM 0 HA HIS A 94 7.677 0.327 17.069 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.220 -1.216 15.605 1.00 0.00 H new ATOM 0 HB3 HIS A 94 10.201 -1.344 17.051 1.00 0.00 H new ATOM 0 HD2 HIS A 94 8.779 -2.601 19.296 1.00 0.00 H new ATOM 0 HE1 HIS A 94 5.926 -4.406 16.748 1.00 0.00 H new ATOM 0 HE2 HIS A 94 6.901 -4.387 19.088 1.00 0.00 H new ATOM 1606 N HIS A 95 10.268 1.256 18.729 1.00 0.00 N ATOM 1607 CA HIS A 95 10.732 1.584 20.067 1.00 0.00 C ATOM 1608 C HIS A 95 9.971 2.808 20.567 1.00 0.00 C ATOM 1609 O HIS A 95 9.835 3.024 21.771 1.00 0.00 O ATOM 1610 CB HIS A 95 12.252 1.850 20.059 1.00 0.00 C ATOM 1611 CG HIS A 95 12.868 2.066 21.415 1.00 0.00 C ATOM 1612 ND1 HIS A 95 13.509 1.074 22.108 1.00 0.00 N ATOM 1613 CD2 HIS A 95 12.951 3.171 22.193 1.00 0.00 C ATOM 1614 CE1 HIS A 95 13.953 1.553 23.247 1.00 0.00 C ATOM 1615 NE2 HIS A 95 13.629 2.819 23.323 1.00 0.00 N ATOM 0 H HIS A 95 10.849 1.619 17.974 1.00 0.00 H new ATOM 0 HA HIS A 95 10.545 0.745 20.737 1.00 0.00 H new ATOM 0 HB2 HIS A 95 12.750 1.007 19.580 1.00 0.00 H new ATOM 0 HB3 HIS A 95 12.449 2.728 19.443 1.00 0.00 H new ATOM 0 HD2 HIS A 95 12.554 4.149 21.962 1.00 0.00 H new ATOM 0 HE1 HIS A 95 14.495 0.995 23.996 1.00 0.00 H new ATOM 0 HE2 HIS A 95 13.848 3.441 24.101 1.00 0.00 H new ATOM 1624 N HIS A 96 9.461 3.571 19.618 1.00 0.00 N ATOM 1625 CA HIS A 96 8.733 4.804 19.869 1.00 0.00 C ATOM 1626 C HIS A 96 9.569 5.843 20.560 1.00 0.00 C ATOM 1627 O HIS A 96 9.181 6.398 21.581 1.00 0.00 O ATOM 1628 CB HIS A 96 7.375 4.606 20.565 1.00 0.00 C ATOM 1629 CG HIS A 96 6.305 4.122 19.649 1.00 0.00 C ATOM 1630 ND1 HIS A 96 5.555 2.999 19.880 1.00 0.00 N ATOM 1631 CD2 HIS A 96 5.834 4.652 18.506 1.00 0.00 C ATOM 1632 CE1 HIS A 96 4.673 2.859 18.922 1.00 0.00 C ATOM 1633 NE2 HIS A 96 4.824 3.851 18.078 1.00 0.00 N ATOM 0 H HIS A 96 9.543 3.346 18.626 1.00 0.00 H new ATOM 0 HA HIS A 96 8.498 5.187 18.876 1.00 0.00 H new ATOM 0 HB2 HIS A 96 7.494 3.893 21.381 1.00 0.00 H new ATOM 0 HB3 HIS A 96 7.062 5.551 21.010 1.00 0.00 H new ATOM 0 HD2 HIS A 96 6.192 5.547 18.019 1.00 0.00 H new ATOM 0 HE1 HIS A 96 3.947 2.064 18.841 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.271 3.998 17.234 1.00 0.00 H new ATOM 1642 N HIS A 97 10.740 6.087 20.006 1.00 0.00 N ATOM 1643 CA HIS A 97 11.598 7.170 20.466 1.00 0.00 C ATOM 1644 C HIS A 97 11.019 8.471 19.899 1.00 0.00 C ATOM 1645 O HIS A 97 11.324 9.572 20.349 1.00 0.00 O ATOM 1646 CB HIS A 97 13.025 6.949 19.972 1.00 0.00 C ATOM 1647 CG HIS A 97 14.043 7.897 20.527 1.00 0.00 C ATOM 1648 ND1 HIS A 97 14.466 9.023 19.867 1.00 0.00 N ATOM 1649 CD2 HIS A 97 14.742 7.864 21.681 1.00 0.00 C ATOM 1650 CE1 HIS A 97 15.375 9.633 20.585 1.00 0.00 C ATOM 1651 NE2 HIS A 97 15.562 8.954 21.687 1.00 0.00 N ATOM 0 H HIS A 97 11.125 5.547 19.231 1.00 0.00 H new ATOM 0 HA HIS A 97 11.632 7.213 21.555 1.00 0.00 H new ATOM 0 HB2 HIS A 97 13.326 5.931 20.221 1.00 0.00 H new ATOM 0 HB3 HIS A 97 13.033 7.027 18.885 1.00 0.00 H new ATOM 0 HD2 HIS A 97 14.666 7.115 22.455 1.00 0.00 H new ATOM 0 HE1 HIS A 97 15.885 10.545 20.313 1.00 0.00 H new ATOM 0 HE2 HIS A 97 16.215 9.200 22.431 1.00 0.00 H new ATOM 1660 N HIS A 98 10.205 8.296 18.884 1.00 0.00 N ATOM 1661 CA HIS A 98 9.415 9.331 18.287 1.00 0.00 C ATOM 1662 C HIS A 98 8.158 8.639 17.814 1.00 0.00 C ATOM 1663 O HIS A 98 8.213 7.447 17.482 1.00 0.00 O ATOM 1664 CB HIS A 98 10.142 10.052 17.098 1.00 0.00 C ATOM 1665 CG HIS A 98 10.295 9.265 15.800 1.00 0.00 C ATOM 1666 ND1 HIS A 98 11.409 8.523 15.481 1.00 0.00 N ATOM 1667 CD2 HIS A 98 9.460 9.148 14.730 1.00 0.00 C ATOM 1668 CE1 HIS A 98 11.254 7.989 14.283 1.00 0.00 C ATOM 1669 NE2 HIS A 98 10.082 8.354 13.811 1.00 0.00 N ATOM 0 H HIS A 98 10.075 7.388 18.438 1.00 0.00 H new ATOM 0 HA HIS A 98 9.214 10.124 19.007 1.00 0.00 H new ATOM 0 HB2 HIS A 98 9.598 10.970 16.875 1.00 0.00 H new ATOM 0 HB3 HIS A 98 11.136 10.344 17.436 1.00 0.00 H new ATOM 0 HD2 HIS A 98 8.485 9.601 14.628 1.00 0.00 H new ATOM 0 HE1 HIS A 98 11.970 7.359 13.776 1.00 0.00 H new ATOM 0 HE2 HIS A 98 9.700 8.087 12.904 1.00 0.00 H new ATOM 1678 N HIS A 99 7.056 9.309 17.830 1.00 0.00 N ATOM 1679 CA HIS A 99 5.838 8.711 17.348 1.00 0.00 C ATOM 1680 C HIS A 99 5.502 9.316 16.014 1.00 0.00 C ATOM 1681 O HIS A 99 5.761 8.676 14.983 1.00 0.00 O ATOM 1682 CB HIS A 99 4.675 8.901 18.330 1.00 0.00 C ATOM 1683 CG HIS A 99 3.441 8.107 17.962 1.00 0.00 C ATOM 1684 ND1 HIS A 99 2.498 8.533 17.052 1.00 0.00 N ATOM 1685 CD2 HIS A 99 3.023 6.895 18.381 1.00 0.00 C ATOM 1686 CE1 HIS A 99 1.561 7.612 16.929 1.00 0.00 C ATOM 1687 NE2 HIS A 99 1.859 6.610 17.724 1.00 0.00 N ATOM 1688 OXT HIS A 99 5.008 10.463 15.982 1.00 0.00 O ATOM 0 H HIS A 99 6.964 10.267 18.168 1.00 0.00 H new ATOM 0 HA HIS A 99 5.993 7.637 17.248 1.00 0.00 H new ATOM 0 HB2 HIS A 99 5.001 8.609 19.328 1.00 0.00 H new ATOM 0 HB3 HIS A 99 4.417 9.959 18.375 1.00 0.00 H new ATOM 0 HD2 HIS A 99 3.518 6.264 19.104 1.00 0.00 H new ATOM 0 HE1 HIS A 99 0.696 7.672 16.284 1.00 0.00 H new ATOM 0 HE2 HIS A 99 1.310 5.757 17.833 1.00 0.00 H new TER 1697 HIS A 99