USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 843 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 88 SER OG : rot 85:sc= 0.886 USER MOD Set 1.2: A 90 MET CE :methyl -117:sc= -1.36 (180deg=-5.75!) USER MOD Set 2.1: A 56 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.56) USER MOD Set 2.2: A 58 LYS NZ :NH3+ -178:sc= -0.0148 (180deg=-0.011) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0575 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -71:sc= 0.111 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.759 K(o=0.76,f=-4.5!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 140:sc= 1.03 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -130:sc= -1.74 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0375 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.154 K(o=-0.15,f=-2.3) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -3.59! C(o=-3.6!,f=-5.5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.0915 X(o=-0.092,f=-0.0083) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.019 K(o=-0.019,f=-3.1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 68 LYS NZ :NH3+ -142:sc= 0.316 (180deg=-0.0432) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -54:sc= 0.81 USER MOD Single : A 75 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.01) USER MOD Single : A 78 SER OG : rot 79:sc= 0.956 USER MOD Single : A 82 TYR OH : rot 61:sc= 1.22 USER MOD Single : A 84 HIS : no HD1:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.0199 K(o=-0.02,f=-1.7!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.0113 K(o=-0.011,f=-2.1!) USER MOD Single : A 96 GLN : amide:sc= -2.74! C(o=-2.7!,f=-7.2!) USER MOD Single : A 101 ASN : amide:sc= -1.21! C(o=-1.2!,f=-2.6!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 74:sc= 0.855 USER MOD Single : A 107 SER OG : rot 67:sc= 0.0613 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.172 9.621 3.417 1.00 0.00 N ATOM 2 CA GLY A 1 25.422 8.201 3.253 1.00 0.00 C ATOM 3 C GLY A 1 25.125 7.719 1.846 1.00 0.00 C ATOM 4 O GLY A 1 24.382 8.363 1.106 1.00 0.00 O ATOM 0 H1 GLY A 1 26.074 10.117 3.565 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.708 9.993 2.563 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.554 9.772 4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.463 7.988 3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.810 7.643 3.962 1.00 0.00 H new ATOM 8 N SER A 2 25.709 6.583 1.476 1.00 0.00 N ATOM 9 CA SER A 2 25.507 6.018 0.147 1.00 0.00 C ATOM 10 C SER A 2 26.141 4.634 0.043 1.00 0.00 C ATOM 11 O SER A 2 27.081 4.314 0.771 1.00 0.00 O ATOM 12 CB SER A 2 26.098 6.943 -0.918 1.00 0.00 C ATOM 13 OG SER A 2 25.502 6.711 -2.183 1.00 0.00 O ATOM 0 H SER A 2 26.325 6.037 2.078 1.00 0.00 H new ATOM 0 HA SER A 2 24.434 5.921 -0.021 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.946 7.982 -0.626 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.174 6.785 -0.985 1.00 0.00 H new ATOM 0 HG SER A 2 25.896 7.316 -2.846 1.00 0.00 H new ATOM 19 N SER A 3 25.619 3.818 -0.866 1.00 0.00 N ATOM 20 CA SER A 3 26.130 2.467 -1.064 1.00 0.00 C ATOM 21 C SER A 3 26.424 2.207 -2.538 1.00 0.00 C ATOM 22 O SER A 3 26.145 3.045 -3.395 1.00 0.00 O ATOM 23 CB SER A 3 25.126 1.437 -0.543 1.00 0.00 C ATOM 24 OG SER A 3 25.231 1.287 0.862 1.00 0.00 O ATOM 0 H SER A 3 24.842 4.069 -1.477 1.00 0.00 H new ATOM 0 HA SER A 3 27.060 2.372 -0.504 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.114 1.747 -0.804 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.301 0.477 -1.028 1.00 0.00 H new ATOM 0 HG SER A 3 24.578 0.625 1.170 1.00 0.00 H new ATOM 30 N GLY A 4 26.988 1.038 -2.826 1.00 0.00 N ATOM 31 CA GLY A 4 27.310 0.687 -4.197 1.00 0.00 C ATOM 32 C GLY A 4 27.177 -0.799 -4.462 1.00 0.00 C ATOM 33 O GLY A 4 28.100 -1.569 -4.194 1.00 0.00 O ATOM 0 H GLY A 4 27.228 0.328 -2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.652 1.234 -4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 4 28.329 1.003 -4.420 1.00 0.00 H new ATOM 37 N SER A 5 26.026 -1.204 -4.987 1.00 0.00 N ATOM 38 CA SER A 5 25.773 -2.610 -5.283 1.00 0.00 C ATOM 39 C SER A 5 25.371 -2.794 -6.744 1.00 0.00 C ATOM 40 O SER A 5 24.986 -1.839 -7.418 1.00 0.00 O ATOM 41 CB SER A 5 24.675 -3.156 -4.368 1.00 0.00 C ATOM 42 OG SER A 5 23.388 -2.875 -4.891 1.00 0.00 O ATOM 0 H SER A 5 25.253 -0.579 -5.216 1.00 0.00 H new ATOM 0 HA SER A 5 26.694 -3.165 -5.105 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.796 -4.233 -4.252 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.772 -2.715 -3.376 1.00 0.00 H new ATOM 0 HG SER A 5 23.204 -1.916 -4.809 1.00 0.00 H new ATOM 48 N SER A 6 25.465 -4.029 -7.226 1.00 0.00 N ATOM 49 CA SER A 6 25.115 -4.339 -8.607 1.00 0.00 C ATOM 50 C SER A 6 23.699 -3.872 -8.927 1.00 0.00 C ATOM 51 O SER A 6 22.773 -4.079 -8.145 1.00 0.00 O ATOM 52 CB SER A 6 25.238 -5.843 -8.861 1.00 0.00 C ATOM 53 OG SER A 6 26.586 -6.269 -8.760 1.00 0.00 O ATOM 0 H SER A 6 25.781 -4.831 -6.681 1.00 0.00 H new ATOM 0 HA SER A 6 25.809 -3.809 -9.259 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.626 -6.388 -8.142 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.852 -6.080 -9.852 1.00 0.00 H new ATOM 0 HG SER A 6 26.637 -7.234 -8.925 1.00 0.00 H new ATOM 59 N GLY A 7 23.539 -3.238 -10.085 1.00 0.00 N ATOM 60 CA GLY A 7 22.234 -2.750 -10.490 1.00 0.00 C ATOM 61 C GLY A 7 22.034 -2.804 -11.991 1.00 0.00 C ATOM 62 O GLY A 7 22.804 -2.212 -12.748 1.00 0.00 O ATOM 0 H GLY A 7 24.290 -3.054 -10.750 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.461 -3.343 -10.002 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.112 -1.723 -10.147 1.00 0.00 H new ATOM 66 N MET A 8 21.000 -3.517 -12.424 1.00 0.00 N ATOM 67 CA MET A 8 20.702 -3.647 -13.846 1.00 0.00 C ATOM 68 C MET A 8 19.251 -3.276 -14.133 1.00 0.00 C ATOM 69 O MET A 8 18.355 -3.577 -13.344 1.00 0.00 O ATOM 70 CB MET A 8 20.979 -5.075 -14.318 1.00 0.00 C ATOM 71 CG MET A 8 20.038 -6.107 -13.718 1.00 0.00 C ATOM 72 SD MET A 8 20.097 -7.688 -14.584 1.00 0.00 S ATOM 73 CE MET A 8 18.465 -8.333 -14.222 1.00 0.00 C ATOM 0 H MET A 8 20.354 -4.014 -11.811 1.00 0.00 H new ATOM 0 HA MET A 8 21.349 -2.960 -14.392 1.00 0.00 H new ATOM 0 HB2 MET A 8 20.900 -5.112 -15.405 1.00 0.00 H new ATOM 0 HB3 MET A 8 22.005 -5.340 -14.064 1.00 0.00 H new ATOM 0 HG2 MET A 8 20.295 -6.261 -12.670 1.00 0.00 H new ATOM 0 HG3 MET A 8 19.019 -5.721 -13.743 1.00 0.00 H new ATOM 0 HE1 MET A 8 18.348 -9.310 -14.691 1.00 0.00 H new ATOM 0 HE2 MET A 8 18.344 -8.431 -13.143 1.00 0.00 H new ATOM 0 HE3 MET A 8 17.709 -7.651 -14.612 1.00 0.00 H new ATOM 83 N ASP A 9 19.026 -2.621 -15.267 1.00 0.00 N ATOM 84 CA ASP A 9 17.683 -2.210 -15.659 1.00 0.00 C ATOM 85 C ASP A 9 17.364 -2.676 -17.076 1.00 0.00 C ATOM 86 O ASP A 9 17.676 -1.993 -18.051 1.00 0.00 O ATOM 87 CB ASP A 9 17.545 -0.690 -15.566 1.00 0.00 C ATOM 88 CG ASP A 9 16.140 -0.216 -15.884 1.00 0.00 C ATOM 89 OD1 ASP A 9 15.766 -0.227 -17.075 1.00 0.00 O ATOM 90 OD2 ASP A 9 15.416 0.168 -14.941 1.00 0.00 O ATOM 0 H ASP A 9 19.756 -2.363 -15.931 1.00 0.00 H new ATOM 0 HA ASP A 9 16.973 -2.674 -14.975 1.00 0.00 H new ATOM 0 HB2 ASP A 9 17.817 -0.364 -14.562 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.248 -0.221 -16.255 1.00 0.00 H new ATOM 95 N ALA A 10 16.741 -3.845 -17.183 1.00 0.00 N ATOM 96 CA ALA A 10 16.378 -4.403 -18.480 1.00 0.00 C ATOM 97 C ALA A 10 14.894 -4.204 -18.767 1.00 0.00 C ATOM 98 O ALA A 10 14.217 -5.116 -19.244 1.00 0.00 O ATOM 99 CB ALA A 10 16.736 -5.880 -18.538 1.00 0.00 C ATOM 0 H ALA A 10 16.477 -4.424 -16.386 1.00 0.00 H new ATOM 0 HA ALA A 10 16.943 -3.874 -19.247 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.459 -6.283 -19.512 1.00 0.00 H new ATOM 0 HB2 ALA A 10 17.809 -6.001 -18.387 1.00 0.00 H new ATOM 0 HB3 ALA A 10 16.197 -6.416 -17.757 1.00 0.00 H new ATOM 105 N ILE A 11 14.394 -3.008 -18.474 1.00 0.00 N ATOM 106 CA ILE A 11 12.990 -2.691 -18.702 1.00 0.00 C ATOM 107 C ILE A 11 12.766 -2.172 -20.118 1.00 0.00 C ATOM 108 O ILE A 11 13.476 -1.279 -20.584 1.00 0.00 O ATOM 109 CB ILE A 11 12.479 -1.643 -17.696 1.00 0.00 C ATOM 110 CG1 ILE A 11 12.705 -2.127 -16.263 1.00 0.00 C ATOM 111 CG2 ILE A 11 11.005 -1.352 -17.937 1.00 0.00 C ATOM 112 CD1 ILE A 11 11.897 -3.355 -15.906 1.00 0.00 C ATOM 0 H ILE A 11 14.940 -2.243 -18.078 1.00 0.00 H new ATOM 0 HA ILE A 11 12.431 -3.617 -18.565 1.00 0.00 H new ATOM 0 HB ILE A 11 13.040 -0.719 -17.840 1.00 0.00 H new ATOM 0 HG12 ILE A 11 13.764 -2.346 -16.125 1.00 0.00 H new ATOM 0 HG13 ILE A 11 12.453 -1.322 -15.572 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.658 -0.610 -17.218 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.870 -0.968 -18.948 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.429 -2.269 -17.817 1.00 0.00 H new ATOM 0 HD11 ILE A 11 12.107 -3.642 -14.876 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.835 -3.135 -16.012 1.00 0.00 H new ATOM 0 HD13 ILE A 11 12.166 -4.174 -16.573 1.00 0.00 H new ATOM 124 N LEU A 12 11.775 -2.735 -20.799 1.00 0.00 N ATOM 125 CA LEU A 12 11.455 -2.328 -22.163 1.00 0.00 C ATOM 126 C LEU A 12 11.040 -0.861 -22.211 1.00 0.00 C ATOM 127 O LEU A 12 10.615 -0.293 -21.205 1.00 0.00 O ATOM 128 CB LEU A 12 10.337 -3.205 -22.730 1.00 0.00 C ATOM 129 CG LEU A 12 8.917 -2.849 -22.289 1.00 0.00 C ATOM 130 CD1 LEU A 12 7.897 -3.433 -23.254 1.00 0.00 C ATOM 131 CD2 LEU A 12 8.658 -3.343 -20.874 1.00 0.00 C ATOM 0 H LEU A 12 11.178 -3.475 -20.429 1.00 0.00 H new ATOM 0 HA LEU A 12 12.350 -2.453 -22.772 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.381 -3.157 -23.818 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.535 -4.239 -22.448 1.00 0.00 H new ATOM 0 HG LEU A 12 8.816 -1.764 -22.297 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.892 -3.170 -22.924 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.069 -3.031 -24.252 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.998 -4.518 -23.278 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.643 -3.081 -20.577 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.778 -4.426 -20.839 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.368 -2.877 -20.190 1.00 0.00 H new ATOM 143 N ASN A 13 11.163 -0.254 -23.387 1.00 0.00 N ATOM 144 CA ASN A 13 10.798 1.147 -23.565 1.00 0.00 C ATOM 145 C ASN A 13 9.290 1.299 -23.739 1.00 0.00 C ATOM 146 O ASN A 13 8.791 1.394 -24.861 1.00 0.00 O ATOM 147 CB ASN A 13 11.524 1.733 -24.778 1.00 0.00 C ATOM 148 CG ASN A 13 11.434 0.835 -25.996 1.00 0.00 C ATOM 149 OD1 ASN A 13 11.831 -0.330 -25.953 1.00 0.00 O ATOM 150 ND2 ASN A 13 10.912 1.374 -27.091 1.00 0.00 N ATOM 0 H ASN A 13 11.512 -0.710 -24.230 1.00 0.00 H new ATOM 0 HA ASN A 13 11.099 1.692 -22.670 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.098 2.708 -25.017 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.572 1.896 -24.527 1.00 0.00 H new ATOM 0 HD21 ASN A 13 10.827 0.818 -27.942 1.00 0.00 H new ATOM 0 HD22 ASN A 13 10.596 2.344 -27.081 1.00 0.00 H new ATOM 157 N TYR A 14 8.571 1.320 -22.623 1.00 0.00 N ATOM 158 CA TYR A 14 7.119 1.458 -22.652 1.00 0.00 C ATOM 159 C TYR A 14 6.650 2.487 -21.627 1.00 0.00 C ATOM 160 O TYR A 14 7.153 2.535 -20.504 1.00 0.00 O ATOM 161 CB TYR A 14 6.452 0.109 -22.380 1.00 0.00 C ATOM 162 CG TYR A 14 4.963 0.208 -22.138 1.00 0.00 C ATOM 163 CD1 TYR A 14 4.465 0.737 -20.954 1.00 0.00 C ATOM 164 CD2 TYR A 14 4.054 -0.227 -23.094 1.00 0.00 C ATOM 165 CE1 TYR A 14 3.105 0.829 -20.728 1.00 0.00 C ATOM 166 CE2 TYR A 14 2.692 -0.138 -22.878 1.00 0.00 C ATOM 167 CZ TYR A 14 2.223 0.390 -21.694 1.00 0.00 C ATOM 168 OH TYR A 14 0.867 0.481 -21.474 1.00 0.00 O ATOM 0 H TYR A 14 8.969 1.243 -21.687 1.00 0.00 H new ATOM 0 HA TYR A 14 6.831 1.804 -23.645 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.631 -0.553 -23.228 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.923 -0.351 -21.511 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.153 1.083 -20.197 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.418 -0.642 -24.022 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.735 1.242 -19.801 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.999 -0.480 -23.632 1.00 0.00 H new ATOM 0 HH TYR A 14 0.385 0.130 -22.252 1.00 0.00 H new ATOM 178 N ARG A 15 5.682 3.307 -22.023 1.00 0.00 N ATOM 179 CA ARG A 15 5.144 4.335 -21.140 1.00 0.00 C ATOM 180 C ARG A 15 3.766 3.937 -20.618 1.00 0.00 C ATOM 181 O ARG A 15 2.895 3.529 -21.386 1.00 0.00 O ATOM 182 CB ARG A 15 5.056 5.673 -21.876 1.00 0.00 C ATOM 183 CG ARG A 15 4.385 6.771 -21.065 1.00 0.00 C ATOM 184 CD ARG A 15 4.501 8.122 -21.754 1.00 0.00 C ATOM 185 NE ARG A 15 4.171 9.224 -20.855 1.00 0.00 N ATOM 186 CZ ARG A 15 4.045 10.485 -21.253 1.00 0.00 C ATOM 187 NH1 ARG A 15 4.220 10.801 -22.529 1.00 0.00 N ATOM 188 NH2 ARG A 15 3.742 11.433 -20.375 1.00 0.00 N ATOM 0 H ARG A 15 5.255 3.280 -22.949 1.00 0.00 H new ATOM 0 HA ARG A 15 5.819 4.439 -20.290 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.061 5.996 -22.147 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.505 5.531 -22.806 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.333 6.525 -20.918 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.841 6.825 -20.076 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.516 8.252 -22.129 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.836 8.147 -22.618 1.00 0.00 H new ATOM 0 HE ARG A 15 4.029 9.014 -19.867 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.452 10.075 -23.207 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.123 11.770 -22.832 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.606 11.194 -19.393 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.646 12.401 -20.682 1.00 0.00 H new ATOM 202 N SER A 16 3.577 4.059 -19.308 1.00 0.00 N ATOM 203 CA SER A 16 2.307 3.708 -18.684 1.00 0.00 C ATOM 204 C SER A 16 1.453 4.951 -18.453 1.00 0.00 C ATOM 205 O SER A 16 1.973 6.027 -18.158 1.00 0.00 O ATOM 206 CB SER A 16 2.550 2.988 -17.355 1.00 0.00 C ATOM 207 OG SER A 16 3.371 1.848 -17.536 1.00 0.00 O ATOM 0 H SER A 16 4.287 4.398 -18.659 1.00 0.00 H new ATOM 0 HA SER A 16 1.771 3.041 -19.359 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.021 3.671 -16.648 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.596 2.688 -16.920 1.00 0.00 H new ATOM 0 HG SER A 16 3.513 1.406 -16.673 1.00 0.00 H new ATOM 213 N GLU A 17 0.141 4.794 -18.590 1.00 0.00 N ATOM 214 CA GLU A 17 -0.785 5.903 -18.397 1.00 0.00 C ATOM 215 C GLU A 17 -0.671 6.468 -16.985 1.00 0.00 C ATOM 216 O GLU A 17 0.162 6.026 -16.193 1.00 0.00 O ATOM 217 CB GLU A 17 -2.223 5.449 -18.662 1.00 0.00 C ATOM 218 CG GLU A 17 -2.691 4.341 -17.735 1.00 0.00 C ATOM 219 CD GLU A 17 -4.078 3.835 -18.084 1.00 0.00 C ATOM 220 OE1 GLU A 17 -4.419 3.820 -19.285 1.00 0.00 O ATOM 221 OE2 GLU A 17 -4.821 3.455 -17.155 1.00 0.00 O ATOM 0 H GLU A 17 -0.305 3.910 -18.834 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.523 6.688 -19.106 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.890 6.305 -18.558 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.303 5.106 -19.694 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.984 3.512 -17.779 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.689 4.707 -16.708 1.00 0.00 H new ATOM 228 N ASP A 18 -1.513 7.449 -16.676 1.00 0.00 N ATOM 229 CA ASP A 18 -1.508 8.075 -15.359 1.00 0.00 C ATOM 230 C ASP A 18 -2.768 7.711 -14.579 1.00 0.00 C ATOM 231 O ASP A 18 -3.749 8.455 -14.580 1.00 0.00 O ATOM 232 CB ASP A 18 -1.398 9.594 -15.494 1.00 0.00 C ATOM 233 CG ASP A 18 -0.914 10.255 -14.218 1.00 0.00 C ATOM 234 OD1 ASP A 18 -0.279 9.563 -13.396 1.00 0.00 O ATOM 235 OD2 ASP A 18 -1.172 11.464 -14.041 1.00 0.00 O ATOM 0 H ASP A 18 -2.208 7.828 -17.320 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.643 7.703 -14.810 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.713 9.835 -16.307 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.371 10.003 -15.765 1.00 0.00 H new ATOM 240 N THR A 19 -2.734 6.560 -13.914 1.00 0.00 N ATOM 241 CA THR A 19 -3.873 6.096 -13.133 1.00 0.00 C ATOM 242 C THR A 19 -3.441 5.657 -11.738 1.00 0.00 C ATOM 243 O THR A 19 -2.498 4.880 -11.587 1.00 0.00 O ATOM 244 CB THR A 19 -4.591 4.924 -13.828 1.00 0.00 C ATOM 245 OG1 THR A 19 -5.103 5.346 -15.097 1.00 0.00 O ATOM 246 CG2 THR A 19 -5.730 4.399 -12.966 1.00 0.00 C ATOM 0 H THR A 19 -1.930 5.933 -13.901 1.00 0.00 H new ATOM 0 HA THR A 19 -4.562 6.936 -13.050 1.00 0.00 H new ATOM 0 HB THR A 19 -3.869 4.121 -13.976 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.966 4.635 -15.758 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.222 3.572 -13.478 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.334 4.051 -12.012 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.451 5.197 -12.790 1.00 0.00 H new ATOM 254 N GLU A 20 -4.136 6.159 -10.722 1.00 0.00 N ATOM 255 CA GLU A 20 -3.822 5.817 -9.340 1.00 0.00 C ATOM 256 C GLU A 20 -5.035 5.211 -8.641 1.00 0.00 C ATOM 257 O GLU A 20 -5.892 5.929 -8.127 1.00 0.00 O ATOM 258 CB GLU A 20 -3.349 7.058 -8.580 1.00 0.00 C ATOM 259 CG GLU A 20 -4.004 8.346 -9.049 1.00 0.00 C ATOM 260 CD GLU A 20 -3.986 9.430 -7.988 1.00 0.00 C ATOM 261 OE1 GLU A 20 -4.443 9.160 -6.858 1.00 0.00 O ATOM 262 OE2 GLU A 20 -3.514 10.547 -8.288 1.00 0.00 O ATOM 0 H GLU A 20 -4.919 6.803 -10.830 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.022 5.077 -9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.553 6.923 -7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.268 7.150 -8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.491 8.707 -9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.035 8.141 -9.336 1.00 0.00 H new ATOM 269 N ASP A 21 -5.099 3.884 -8.626 1.00 0.00 N ATOM 270 CA ASP A 21 -6.206 3.179 -7.989 1.00 0.00 C ATOM 271 C ASP A 21 -5.690 2.112 -7.029 1.00 0.00 C ATOM 272 O ASP A 21 -4.735 1.397 -7.334 1.00 0.00 O ATOM 273 CB ASP A 21 -7.106 2.539 -9.047 1.00 0.00 C ATOM 274 CG ASP A 21 -8.539 2.389 -8.574 1.00 0.00 C ATOM 275 OD1 ASP A 21 -9.007 3.261 -7.812 1.00 0.00 O ATOM 276 OD2 ASP A 21 -9.192 1.399 -8.966 1.00 0.00 O ATOM 0 H ASP A 21 -4.398 3.275 -9.047 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.787 3.904 -7.419 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.087 3.146 -9.952 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.710 1.559 -9.313 1.00 0.00 H new ATOM 281 N TYR A 22 -6.327 2.011 -5.868 1.00 0.00 N ATOM 282 CA TYR A 22 -5.931 1.034 -4.861 1.00 0.00 C ATOM 283 C TYR A 22 -6.034 -0.386 -5.410 1.00 0.00 C ATOM 284 O TYR A 22 -5.319 -1.287 -4.971 1.00 0.00 O ATOM 285 CB TYR A 22 -6.803 1.174 -3.612 1.00 0.00 C ATOM 286 CG TYR A 22 -6.408 2.333 -2.725 1.00 0.00 C ATOM 287 CD1 TYR A 22 -5.950 3.526 -3.269 1.00 0.00 C ATOM 288 CD2 TYR A 22 -6.493 2.234 -1.341 1.00 0.00 C ATOM 289 CE1 TYR A 22 -5.587 4.587 -2.462 1.00 0.00 C ATOM 290 CE2 TYR A 22 -6.134 3.290 -0.527 1.00 0.00 C ATOM 291 CZ TYR A 22 -5.681 4.464 -1.092 1.00 0.00 C ATOM 292 OH TYR A 22 -5.322 5.519 -0.284 1.00 0.00 O ATOM 0 H TYR A 22 -7.120 2.594 -5.601 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.892 1.227 -4.594 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.842 1.298 -3.917 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.748 0.251 -3.035 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.876 3.626 -4.342 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.846 1.316 -0.895 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.232 5.507 -2.902 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.208 3.197 0.546 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.448 5.269 0.655 1.00 0.00 H new ATOM 302 N TYR A 23 -6.929 -0.578 -6.373 1.00 0.00 N ATOM 303 CA TYR A 23 -7.128 -1.887 -6.982 1.00 0.00 C ATOM 304 C TYR A 23 -5.956 -2.250 -7.889 1.00 0.00 C ATOM 305 O TYR A 23 -5.583 -3.418 -8.006 1.00 0.00 O ATOM 306 CB TYR A 23 -8.432 -1.908 -7.781 1.00 0.00 C ATOM 307 CG TYR A 23 -9.653 -2.202 -6.939 1.00 0.00 C ATOM 308 CD1 TYR A 23 -9.998 -3.508 -6.612 1.00 0.00 C ATOM 309 CD2 TYR A 23 -10.463 -1.174 -6.472 1.00 0.00 C ATOM 310 CE1 TYR A 23 -11.113 -3.781 -5.844 1.00 0.00 C ATOM 311 CE2 TYR A 23 -11.579 -1.438 -5.702 1.00 0.00 C ATOM 312 CZ TYR A 23 -11.900 -2.743 -5.391 1.00 0.00 C ATOM 313 OH TYR A 23 -13.012 -3.010 -4.625 1.00 0.00 O ATOM 0 H TYR A 23 -7.528 0.157 -6.748 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.188 -2.626 -6.183 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.563 -0.944 -8.272 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.354 -2.658 -8.568 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.384 -4.323 -6.964 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.216 -0.151 -6.715 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.367 -4.802 -5.600 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.197 -0.627 -5.345 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.455 -2.169 -4.387 1.00 0.00 H new ATOM 323 N THR A 24 -5.378 -1.240 -8.531 1.00 0.00 N ATOM 324 CA THR A 24 -4.250 -1.450 -9.429 1.00 0.00 C ATOM 325 C THR A 24 -2.987 -1.802 -8.651 1.00 0.00 C ATOM 326 O THR A 24 -2.252 -2.718 -9.022 1.00 0.00 O ATOM 327 CB THR A 24 -3.977 -0.203 -10.291 1.00 0.00 C ATOM 328 OG1 THR A 24 -4.945 -0.112 -11.342 1.00 0.00 O ATOM 329 CG2 THR A 24 -2.578 -0.251 -10.886 1.00 0.00 C ATOM 0 H THR A 24 -5.673 -0.267 -8.445 1.00 0.00 H new ATOM 0 HA THR A 24 -4.516 -2.282 -10.081 1.00 0.00 H new ATOM 0 HB THR A 24 -4.052 0.676 -9.651 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.765 0.684 -11.884 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.409 0.640 -11.490 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.842 -0.290 -10.083 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.479 -1.138 -11.512 1.00 0.00 H new ATOM 337 N LEU A 25 -2.740 -1.070 -7.570 1.00 0.00 N ATOM 338 CA LEU A 25 -1.565 -1.305 -6.739 1.00 0.00 C ATOM 339 C LEU A 25 -1.407 -2.790 -6.428 1.00 0.00 C ATOM 340 O LEU A 25 -0.314 -3.346 -6.542 1.00 0.00 O ATOM 341 CB LEU A 25 -1.669 -0.508 -5.437 1.00 0.00 C ATOM 342 CG LEU A 25 -2.128 0.944 -5.574 1.00 0.00 C ATOM 343 CD1 LEU A 25 -1.968 1.681 -4.254 1.00 0.00 C ATOM 344 CD2 LEU A 25 -1.350 1.647 -6.677 1.00 0.00 C ATOM 0 H LEU A 25 -3.338 -0.309 -7.249 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.687 -0.973 -7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.360 -1.025 -4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.693 -0.515 -4.951 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.184 0.947 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.300 2.713 -4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.570 1.191 -3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.920 1.668 -3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.690 2.679 -6.761 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.287 1.633 -6.438 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.516 1.133 -7.624 1.00 0.00 H new ATOM 356 N LEU A 26 -2.504 -3.427 -6.036 1.00 0.00 N ATOM 357 CA LEU A 26 -2.489 -4.849 -5.711 1.00 0.00 C ATOM 358 C LEU A 26 -2.937 -5.686 -6.905 1.00 0.00 C ATOM 359 O LEU A 26 -2.920 -6.915 -6.856 1.00 0.00 O ATOM 360 CB LEU A 26 -3.394 -5.128 -4.510 1.00 0.00 C ATOM 361 CG LEU A 26 -3.181 -4.235 -3.287 1.00 0.00 C ATOM 362 CD1 LEU A 26 -4.114 -4.645 -2.158 1.00 0.00 C ATOM 363 CD2 LEU A 26 -1.730 -4.294 -2.830 1.00 0.00 C ATOM 0 H LEU A 26 -3.416 -2.981 -5.935 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.466 -5.127 -5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.431 -5.029 -4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.252 -6.165 -4.207 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.412 -3.207 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.948 -3.999 -1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.148 -4.551 -2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.915 -5.680 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.597 -3.653 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.473 -5.320 -2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.081 -3.951 -3.636 1.00 0.00 H new ATOM 375 N GLY A 27 -3.335 -5.011 -7.978 1.00 0.00 N ATOM 376 CA GLY A 27 -3.780 -5.708 -9.171 1.00 0.00 C ATOM 377 C GLY A 27 -4.957 -6.624 -8.901 1.00 0.00 C ATOM 378 O GLY A 27 -5.056 -7.706 -9.482 1.00 0.00 O ATOM 0 H GLY A 27 -3.357 -3.993 -8.043 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.058 -4.979 -9.932 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.954 -6.292 -9.576 1.00 0.00 H new ATOM 382 N CYS A 28 -5.851 -6.192 -8.019 1.00 0.00 N ATOM 383 CA CYS A 28 -7.027 -6.982 -7.672 1.00 0.00 C ATOM 384 C CYS A 28 -8.306 -6.276 -8.111 1.00 0.00 C ATOM 385 O CYS A 28 -8.260 -5.191 -8.690 1.00 0.00 O ATOM 386 CB CYS A 28 -7.065 -7.243 -6.165 1.00 0.00 C ATOM 387 SG CYS A 28 -7.594 -5.821 -5.183 1.00 0.00 S ATOM 0 H CYS A 28 -5.784 -5.299 -7.531 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.962 -7.935 -8.197 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.738 -8.077 -5.968 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -6.072 -7.550 -5.835 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.748 -5.623 -4.216 1.00 0.00 H new ATOM 393 N ASP A 29 -9.445 -6.900 -7.832 1.00 0.00 N ATOM 394 CA ASP A 29 -10.737 -6.332 -8.198 1.00 0.00 C ATOM 395 C ASP A 29 -11.797 -6.675 -7.156 1.00 0.00 C ATOM 396 O ASP A 29 -11.508 -7.333 -6.157 1.00 0.00 O ATOM 397 CB ASP A 29 -11.171 -6.843 -9.573 1.00 0.00 C ATOM 398 CG ASP A 29 -12.096 -5.875 -10.285 1.00 0.00 C ATOM 399 OD1 ASP A 29 -12.487 -4.864 -9.665 1.00 0.00 O ATOM 400 OD2 ASP A 29 -12.428 -6.128 -11.462 1.00 0.00 O ATOM 0 H ASP A 29 -9.500 -7.799 -7.354 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.631 -5.248 -8.238 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.288 -7.016 -10.188 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.673 -7.804 -9.458 1.00 0.00 H new ATOM 405 N GLU A 30 -13.024 -6.225 -7.396 1.00 0.00 N ATOM 406 CA GLU A 30 -14.126 -6.483 -6.477 1.00 0.00 C ATOM 407 C GLU A 30 -14.479 -7.968 -6.454 1.00 0.00 C ATOM 408 O GLU A 30 -15.205 -8.432 -5.574 1.00 0.00 O ATOM 409 CB GLU A 30 -15.354 -5.662 -6.874 1.00 0.00 C ATOM 410 CG GLU A 30 -15.870 -5.974 -8.269 1.00 0.00 C ATOM 411 CD GLU A 30 -15.224 -5.111 -9.336 1.00 0.00 C ATOM 412 OE1 GLU A 30 -15.036 -3.901 -9.086 1.00 0.00 O ATOM 413 OE2 GLU A 30 -14.908 -5.643 -10.420 1.00 0.00 O ATOM 0 H GLU A 30 -13.280 -5.680 -8.219 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.808 -6.187 -5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.150 -5.843 -6.152 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.106 -4.602 -6.816 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.684 -7.024 -8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.950 -5.829 -8.294 1.00 0.00 H new ATOM 420 N LEU A 31 -13.960 -8.708 -7.428 1.00 0.00 N ATOM 421 CA LEU A 31 -14.220 -10.140 -7.521 1.00 0.00 C ATOM 422 C LEU A 31 -13.251 -10.928 -6.645 1.00 0.00 C ATOM 423 O LEU A 31 -13.640 -11.887 -5.979 1.00 0.00 O ATOM 424 CB LEU A 31 -14.106 -10.606 -8.974 1.00 0.00 C ATOM 425 CG LEU A 31 -15.239 -10.178 -9.907 1.00 0.00 C ATOM 426 CD1 LEU A 31 -14.739 -10.070 -11.339 1.00 0.00 C ATOM 427 CD2 LEU A 31 -16.401 -11.157 -9.818 1.00 0.00 C ATOM 0 H LEU A 31 -13.357 -8.340 -8.164 1.00 0.00 H new ATOM 0 HA LEU A 31 -15.234 -10.324 -7.165 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.166 -10.233 -9.381 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -14.047 -11.694 -8.982 1.00 0.00 H new ATOM 0 HG LEU A 31 -15.592 -9.196 -9.592 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.559 -9.764 -11.989 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.940 -9.330 -11.391 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -14.359 -11.038 -11.666 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -17.199 -10.837 -10.489 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -16.062 -12.152 -10.107 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -16.776 -11.184 -8.795 1.00 0.00 H new ATOM 439 N SER A 32 -11.988 -10.514 -6.649 1.00 0.00 N ATOM 440 CA SER A 32 -10.962 -11.182 -5.856 1.00 0.00 C ATOM 441 C SER A 32 -11.224 -10.997 -4.364 1.00 0.00 C ATOM 442 O SER A 32 -11.782 -9.985 -3.941 1.00 0.00 O ATOM 443 CB SER A 32 -9.577 -10.639 -6.213 1.00 0.00 C ATOM 444 OG SER A 32 -8.997 -11.379 -7.273 1.00 0.00 O ATOM 0 H SER A 32 -11.650 -9.719 -7.192 1.00 0.00 H new ATOM 0 HA SER A 32 -10.996 -12.247 -6.085 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.657 -9.590 -6.499 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.929 -10.683 -5.338 1.00 0.00 H new ATOM 0 HG SER A 32 -8.113 -11.011 -7.483 1.00 0.00 H new ATOM 450 N SER A 33 -10.816 -11.984 -3.572 1.00 0.00 N ATOM 451 CA SER A 33 -11.009 -11.934 -2.128 1.00 0.00 C ATOM 452 C SER A 33 -9.688 -11.667 -1.412 1.00 0.00 C ATOM 453 O SER A 33 -8.620 -11.701 -2.023 1.00 0.00 O ATOM 454 CB SER A 33 -11.618 -13.246 -1.628 1.00 0.00 C ATOM 455 OG SER A 33 -13.031 -13.222 -1.724 1.00 0.00 O ATOM 0 H SER A 33 -10.350 -12.827 -3.906 1.00 0.00 H new ATOM 0 HA SER A 33 -11.694 -11.116 -1.906 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.225 -14.079 -2.212 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.324 -13.416 -0.592 1.00 0.00 H new ATOM 0 HG SER A 33 -13.395 -14.072 -1.400 1.00 0.00 H new ATOM 461 N VAL A 34 -9.770 -11.402 -0.112 1.00 0.00 N ATOM 462 CA VAL A 34 -8.582 -11.130 0.689 1.00 0.00 C ATOM 463 C VAL A 34 -7.532 -12.219 0.501 1.00 0.00 C ATOM 464 O VAL A 34 -6.338 -11.979 0.673 1.00 0.00 O ATOM 465 CB VAL A 34 -8.928 -11.019 2.186 1.00 0.00 C ATOM 466 CG1 VAL A 34 -9.655 -12.267 2.660 1.00 0.00 C ATOM 467 CG2 VAL A 34 -7.670 -10.780 3.006 1.00 0.00 C ATOM 0 H VAL A 34 -10.646 -11.370 0.409 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.179 -10.177 0.345 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.593 -10.166 2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.891 -12.170 3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.578 -12.388 2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.018 -13.139 2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.932 -10.704 4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.979 -11.611 2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.195 -9.854 2.683 1.00 0.00 H new ATOM 477 N GLU A 35 -7.986 -13.417 0.147 1.00 0.00 N ATOM 478 CA GLU A 35 -7.085 -14.544 -0.064 1.00 0.00 C ATOM 479 C GLU A 35 -6.178 -14.297 -1.267 1.00 0.00 C ATOM 480 O GLU A 35 -4.964 -14.484 -1.190 1.00 0.00 O ATOM 481 CB GLU A 35 -7.883 -15.833 -0.269 1.00 0.00 C ATOM 482 CG GLU A 35 -8.434 -16.419 1.020 1.00 0.00 C ATOM 483 CD GLU A 35 -7.370 -16.587 2.087 1.00 0.00 C ATOM 484 OE1 GLU A 35 -7.019 -15.582 2.739 1.00 0.00 O ATOM 485 OE2 GLU A 35 -6.888 -17.724 2.269 1.00 0.00 O ATOM 0 H GLU A 35 -8.972 -13.632 0.000 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.462 -14.649 0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.710 -15.634 -0.950 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.244 -16.573 -0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.225 -15.772 1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.888 -17.387 0.809 1.00 0.00 H new ATOM 492 N GLN A 36 -6.778 -13.878 -2.376 1.00 0.00 N ATOM 493 CA GLN A 36 -6.025 -13.607 -3.596 1.00 0.00 C ATOM 494 C GLN A 36 -5.268 -12.288 -3.486 1.00 0.00 C ATOM 495 O GLN A 36 -4.049 -12.245 -3.654 1.00 0.00 O ATOM 496 CB GLN A 36 -6.964 -13.572 -4.803 1.00 0.00 C ATOM 497 CG GLN A 36 -6.297 -13.083 -6.078 1.00 0.00 C ATOM 498 CD GLN A 36 -5.263 -14.058 -6.606 1.00 0.00 C ATOM 499 OE1 GLN A 36 -5.071 -15.139 -6.049 1.00 0.00 O ATOM 500 NE2 GLN A 36 -4.590 -13.679 -7.687 1.00 0.00 N ATOM 0 H GLN A 36 -7.782 -13.719 -2.456 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.301 -14.410 -3.732 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.363 -14.572 -4.972 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.811 -12.925 -4.575 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.058 -12.917 -6.841 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.821 -12.121 -5.889 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.782 -12.774 -8.116 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.881 -14.293 -8.088 1.00 0.00 H new ATOM 509 N ILE A 37 -5.999 -11.214 -3.205 1.00 0.00 N ATOM 510 CA ILE A 37 -5.395 -9.894 -3.073 1.00 0.00 C ATOM 511 C ILE A 37 -4.039 -9.976 -2.381 1.00 0.00 C ATOM 512 O ILE A 37 -3.015 -9.593 -2.950 1.00 0.00 O ATOM 513 CB ILE A 37 -6.305 -8.935 -2.282 1.00 0.00 C ATOM 514 CG1 ILE A 37 -7.628 -8.726 -3.023 1.00 0.00 C ATOM 515 CG2 ILE A 37 -5.603 -7.605 -2.054 1.00 0.00 C ATOM 516 CD1 ILE A 37 -8.644 -7.933 -2.231 1.00 0.00 C ATOM 0 H ILE A 37 -7.009 -11.232 -3.065 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.262 -9.506 -4.083 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.520 -9.380 -1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.431 -8.212 -3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.053 -9.698 -3.273 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.259 -6.939 -1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.685 -7.770 -1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.361 -7.152 -3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.557 -7.823 -2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.870 -8.456 -1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.239 -6.947 -2.003 1.00 0.00 H new ATOM 528 N LEU A 38 -4.038 -10.479 -1.152 1.00 0.00 N ATOM 529 CA LEU A 38 -2.806 -10.613 -0.382 1.00 0.00 C ATOM 530 C LEU A 38 -1.686 -11.188 -1.242 1.00 0.00 C ATOM 531 O LEU A 38 -0.670 -10.533 -1.474 1.00 0.00 O ATOM 532 CB LEU A 38 -3.039 -11.509 0.837 1.00 0.00 C ATOM 533 CG LEU A 38 -3.504 -10.802 2.110 1.00 0.00 C ATOM 534 CD1 LEU A 38 -3.982 -11.814 3.139 1.00 0.00 C ATOM 535 CD2 LEU A 38 -2.384 -9.944 2.683 1.00 0.00 C ATOM 0 H LEU A 38 -4.876 -10.801 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.507 -9.620 -0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.781 -12.263 0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.112 -12.038 1.057 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.340 -10.151 1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.309 -11.292 4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.814 -12.385 2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.166 -12.492 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.733 -9.448 3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.528 -10.575 2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.089 -9.194 1.949 1.00 0.00 H new ATOM 547 N ALA A 39 -1.880 -12.415 -1.716 1.00 0.00 N ATOM 548 CA ALA A 39 -0.887 -13.075 -2.554 1.00 0.00 C ATOM 549 C ALA A 39 -0.221 -12.083 -3.501 1.00 0.00 C ATOM 550 O ALA A 39 1.004 -12.054 -3.622 1.00 0.00 O ATOM 551 CB ALA A 39 -1.531 -14.207 -3.341 1.00 0.00 C ATOM 0 H ALA A 39 -2.715 -12.971 -1.534 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.117 -13.490 -1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.779 -14.692 -3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.955 -14.936 -2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.322 -13.806 -3.975 1.00 0.00 H new ATOM 557 N GLU A 40 -1.034 -11.273 -4.171 1.00 0.00 N ATOM 558 CA GLU A 40 -0.521 -10.280 -5.108 1.00 0.00 C ATOM 559 C GLU A 40 0.202 -9.157 -4.370 1.00 0.00 C ATOM 560 O GLU A 40 1.201 -8.624 -4.852 1.00 0.00 O ATOM 561 CB GLU A 40 -1.662 -9.702 -5.948 1.00 0.00 C ATOM 562 CG GLU A 40 -2.218 -10.676 -6.972 1.00 0.00 C ATOM 563 CD GLU A 40 -1.382 -10.736 -8.235 1.00 0.00 C ATOM 564 OE1 GLU A 40 -0.138 -10.743 -8.123 1.00 0.00 O ATOM 565 OE2 GLU A 40 -1.971 -10.775 -9.336 1.00 0.00 O ATOM 0 H GLU A 40 -2.050 -11.285 -4.083 1.00 0.00 H new ATOM 0 HA GLU A 40 0.192 -10.775 -5.768 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.467 -9.387 -5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.306 -8.810 -6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.272 -11.671 -6.529 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.237 -10.385 -7.229 1.00 0.00 H new ATOM 572 N PHE A 41 -0.311 -8.802 -3.196 1.00 0.00 N ATOM 573 CA PHE A 41 0.283 -7.742 -2.391 1.00 0.00 C ATOM 574 C PHE A 41 1.683 -8.132 -1.925 1.00 0.00 C ATOM 575 O PHE A 41 2.611 -7.323 -1.962 1.00 0.00 O ATOM 576 CB PHE A 41 -0.602 -7.433 -1.182 1.00 0.00 C ATOM 577 CG PHE A 41 0.151 -6.844 -0.023 1.00 0.00 C ATOM 578 CD1 PHE A 41 0.547 -5.516 -0.041 1.00 0.00 C ATOM 579 CD2 PHE A 41 0.462 -7.617 1.083 1.00 0.00 C ATOM 580 CE1 PHE A 41 1.240 -4.970 1.024 1.00 0.00 C ATOM 581 CE2 PHE A 41 1.154 -7.077 2.151 1.00 0.00 C ATOM 582 CZ PHE A 41 1.544 -5.752 2.121 1.00 0.00 C ATOM 0 H PHE A 41 -1.137 -9.233 -2.781 1.00 0.00 H new ATOM 0 HA PHE A 41 0.362 -6.850 -3.012 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.388 -6.740 -1.484 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.093 -8.350 -0.857 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.312 -4.900 -0.897 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.160 -8.654 1.112 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.543 -3.934 0.998 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.390 -7.690 3.008 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.086 -5.328 2.954 1.00 0.00 H new ATOM 592 N LYS A 42 1.828 -9.378 -1.487 1.00 0.00 N ATOM 593 CA LYS A 42 3.113 -9.879 -1.014 1.00 0.00 C ATOM 594 C LYS A 42 4.152 -9.851 -2.130 1.00 0.00 C ATOM 595 O LYS A 42 5.228 -9.274 -1.976 1.00 0.00 O ATOM 596 CB LYS A 42 2.962 -11.304 -0.478 1.00 0.00 C ATOM 597 CG LYS A 42 2.558 -11.364 0.985 1.00 0.00 C ATOM 598 CD LYS A 42 2.004 -12.730 1.355 1.00 0.00 C ATOM 599 CE LYS A 42 0.501 -12.800 1.133 1.00 0.00 C ATOM 600 NZ LYS A 42 -0.101 -13.995 1.788 1.00 0.00 N ATOM 0 H LYS A 42 1.071 -10.060 -1.450 1.00 0.00 H new ATOM 0 HA LYS A 42 3.454 -9.229 -0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.216 -11.830 -1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.906 -11.834 -0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.421 -11.139 1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.808 -10.599 1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.497 -13.498 0.759 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.229 -12.944 2.400 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.033 -11.897 1.525 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.293 -12.828 0.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.126 -14.007 1.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.327 -14.858 1.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.076 -13.955 2.812 1.00 0.00 H new ATOM 614 N VAL A 43 3.822 -10.478 -3.255 1.00 0.00 N ATOM 615 CA VAL A 43 4.725 -10.524 -4.398 1.00 0.00 C ATOM 616 C VAL A 43 5.064 -9.120 -4.887 1.00 0.00 C ATOM 617 O VAL A 43 6.229 -8.795 -5.117 1.00 0.00 O ATOM 618 CB VAL A 43 4.118 -11.328 -5.563 1.00 0.00 C ATOM 619 CG1 VAL A 43 4.010 -12.800 -5.195 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.757 -10.765 -5.946 1.00 0.00 C ATOM 0 H VAL A 43 2.935 -10.961 -3.399 1.00 0.00 H new ATOM 0 HA VAL A 43 5.636 -11.019 -4.061 1.00 0.00 H new ATOM 0 HB VAL A 43 4.778 -11.240 -6.426 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.579 -13.353 -6.030 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.002 -13.193 -4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.371 -12.910 -4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.342 -11.345 -6.771 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.086 -10.821 -5.089 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.867 -9.725 -6.253 1.00 0.00 H new ATOM 630 N ARG A 44 4.037 -8.290 -5.044 1.00 0.00 N ATOM 631 CA ARG A 44 4.225 -6.920 -5.506 1.00 0.00 C ATOM 632 C ARG A 44 5.086 -6.129 -4.526 1.00 0.00 C ATOM 633 O ARG A 44 5.875 -5.274 -4.927 1.00 0.00 O ATOM 634 CB ARG A 44 2.872 -6.230 -5.686 1.00 0.00 C ATOM 635 CG ARG A 44 2.134 -6.656 -6.945 1.00 0.00 C ATOM 636 CD ARG A 44 0.654 -6.314 -6.865 1.00 0.00 C ATOM 637 NE ARG A 44 0.067 -6.112 -8.187 1.00 0.00 N ATOM 638 CZ ARG A 44 -0.082 -7.084 -9.081 1.00 0.00 C ATOM 639 NH1 ARG A 44 0.310 -8.317 -8.796 1.00 0.00 N ATOM 640 NH2 ARG A 44 -0.626 -6.822 -10.263 1.00 0.00 N ATOM 0 H ARG A 44 3.067 -8.543 -4.858 1.00 0.00 H new ATOM 0 HA ARG A 44 4.738 -6.954 -6.467 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.247 -6.443 -4.819 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.024 -5.151 -5.712 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.576 -6.164 -7.811 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.253 -7.729 -7.093 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.124 -7.116 -6.352 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.522 -5.412 -6.268 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.246 -5.174 -8.438 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.727 -8.522 -7.888 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.194 -9.061 -9.484 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.930 -5.874 -10.486 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.740 -7.568 -10.949 1.00 0.00 H new ATOM 654 N ALA A 45 4.926 -6.419 -3.239 1.00 0.00 N ATOM 655 CA ALA A 45 5.689 -5.736 -2.201 1.00 0.00 C ATOM 656 C ALA A 45 7.141 -6.203 -2.190 1.00 0.00 C ATOM 657 O ALA A 45 8.064 -5.393 -2.091 1.00 0.00 O ATOM 658 CB ALA A 45 5.050 -5.964 -0.840 1.00 0.00 C ATOM 0 H ALA A 45 4.275 -7.122 -2.890 1.00 0.00 H new ATOM 0 HA ALA A 45 5.679 -4.668 -2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.630 -5.448 -0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.032 -5.576 -0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.030 -7.032 -0.622 1.00 0.00 H new ATOM 664 N LEU A 46 7.337 -7.513 -2.292 1.00 0.00 N ATOM 665 CA LEU A 46 8.678 -8.088 -2.294 1.00 0.00 C ATOM 666 C LEU A 46 9.470 -7.620 -3.511 1.00 0.00 C ATOM 667 O LEU A 46 10.610 -7.175 -3.387 1.00 0.00 O ATOM 668 CB LEU A 46 8.599 -9.615 -2.278 1.00 0.00 C ATOM 669 CG LEU A 46 8.334 -10.260 -0.917 1.00 0.00 C ATOM 670 CD1 LEU A 46 7.766 -11.660 -1.091 1.00 0.00 C ATOM 671 CD2 LEU A 46 9.610 -10.299 -0.088 1.00 0.00 C ATOM 0 H LEU A 46 6.585 -8.197 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 46 9.194 -7.748 -1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.811 -9.925 -2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.536 -10.011 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 46 7.598 -9.655 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.584 -12.103 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.829 -11.606 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.478 -12.276 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.403 -10.761 0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.368 -10.880 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.975 -9.283 0.067 1.00 0.00 H new ATOM 683 N GLU A 47 8.856 -7.724 -4.685 1.00 0.00 N ATOM 684 CA GLU A 47 9.504 -7.310 -5.924 1.00 0.00 C ATOM 685 C GLU A 47 10.036 -5.884 -5.810 1.00 0.00 C ATOM 686 O GLU A 47 11.119 -5.573 -6.309 1.00 0.00 O ATOM 687 CB GLU A 47 8.524 -7.407 -7.096 1.00 0.00 C ATOM 688 CG GLU A 47 8.318 -8.826 -7.600 1.00 0.00 C ATOM 689 CD GLU A 47 9.304 -9.208 -8.686 1.00 0.00 C ATOM 690 OE1 GLU A 47 10.522 -9.044 -8.467 1.00 0.00 O ATOM 691 OE2 GLU A 47 8.856 -9.671 -9.757 1.00 0.00 O ATOM 0 H GLU A 47 7.912 -8.091 -4.804 1.00 0.00 H new ATOM 0 HA GLU A 47 10.344 -7.980 -6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.562 -6.996 -6.790 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.889 -6.788 -7.916 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.414 -9.521 -6.766 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.303 -8.927 -7.984 1.00 0.00 H new ATOM 698 N CYS A 48 9.269 -5.023 -5.151 1.00 0.00 N ATOM 699 CA CYS A 48 9.662 -3.630 -4.972 1.00 0.00 C ATOM 700 C CYS A 48 9.859 -3.307 -3.494 1.00 0.00 C ATOM 701 O CYS A 48 9.472 -2.236 -3.025 1.00 0.00 O ATOM 702 CB CYS A 48 8.608 -2.700 -5.574 1.00 0.00 C ATOM 703 SG CYS A 48 8.750 -2.482 -7.363 1.00 0.00 S ATOM 0 H CYS A 48 8.371 -5.265 -4.732 1.00 0.00 H new ATOM 0 HA CYS A 48 10.609 -3.476 -5.489 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.618 -3.094 -5.344 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.682 -1.725 -5.093 1.00 0.00 H new ATOM 0 HG CYS A 48 7.814 -1.681 -7.778 1.00 0.00 H new ATOM 709 N HIS A 49 10.463 -4.240 -2.765 1.00 0.00 N ATOM 710 CA HIS A 49 10.711 -4.055 -1.340 1.00 0.00 C ATOM 711 C HIS A 49 11.916 -3.147 -1.111 1.00 0.00 C ATOM 712 O HIS A 49 12.922 -3.221 -1.817 1.00 0.00 O ATOM 713 CB HIS A 49 10.938 -5.405 -0.660 1.00 0.00 C ATOM 714 CG HIS A 49 10.499 -5.437 0.771 1.00 0.00 C ATOM 715 ND1 HIS A 49 11.383 -5.471 1.829 1.00 0.00 N ATOM 716 CD2 HIS A 49 9.261 -5.438 1.318 1.00 0.00 C ATOM 717 CE1 HIS A 49 10.708 -5.494 2.964 1.00 0.00 C ATOM 718 NE2 HIS A 49 9.418 -5.474 2.681 1.00 0.00 N ATOM 0 H HIS A 49 10.790 -5.132 -3.138 1.00 0.00 H new ATOM 0 HA HIS A 49 9.833 -3.580 -0.903 1.00 0.00 H new ATOM 0 HB2 HIS A 49 10.401 -6.176 -1.213 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.998 -5.655 -0.712 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.324 -5.415 0.782 1.00 0.00 H new ATOM 0 HE1 HIS A 49 11.138 -5.524 3.954 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.661 -5.484 3.365 1.00 0.00 H new ATOM 726 N PRO A 50 11.813 -2.269 -0.102 1.00 0.00 N ATOM 727 CA PRO A 50 12.885 -1.331 0.242 1.00 0.00 C ATOM 728 C PRO A 50 14.098 -2.031 0.845 1.00 0.00 C ATOM 729 O PRO A 50 15.231 -1.814 0.413 1.00 0.00 O ATOM 730 CB PRO A 50 12.232 -0.409 1.275 1.00 0.00 C ATOM 731 CG PRO A 50 11.144 -1.229 1.879 1.00 0.00 C ATOM 732 CD PRO A 50 10.644 -2.126 0.781 1.00 0.00 C ATOM 0 HA PRO A 50 13.266 -0.809 -0.636 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.950 -0.087 2.029 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.836 0.492 0.807 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.517 -1.813 2.721 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.343 -0.595 2.260 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.313 -3.089 1.169 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.796 -1.685 0.257 1.00 0.00 H new ATOM 740 N ASP A 51 13.854 -2.873 1.843 1.00 0.00 N ATOM 741 CA ASP A 51 14.926 -3.607 2.504 1.00 0.00 C ATOM 742 C ASP A 51 15.888 -4.202 1.481 1.00 0.00 C ATOM 743 O ASP A 51 17.105 -4.176 1.667 1.00 0.00 O ATOM 744 CB ASP A 51 14.347 -4.716 3.384 1.00 0.00 C ATOM 745 CG ASP A 51 13.968 -4.220 4.766 1.00 0.00 C ATOM 746 OD1 ASP A 51 14.782 -3.501 5.382 1.00 0.00 O ATOM 747 OD2 ASP A 51 12.858 -4.552 5.232 1.00 0.00 O ATOM 0 H ASP A 51 12.923 -3.064 2.212 1.00 0.00 H new ATOM 0 HA ASP A 51 15.478 -2.908 3.132 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.467 -5.139 2.899 1.00 0.00 H new ATOM 0 HB3 ASP A 51 15.077 -5.520 3.477 1.00 0.00 H new ATOM 752 N LYS A 52 15.335 -4.741 0.400 1.00 0.00 N ATOM 753 CA LYS A 52 16.142 -5.344 -0.654 1.00 0.00 C ATOM 754 C LYS A 52 16.806 -4.271 -1.512 1.00 0.00 C ATOM 755 O LYS A 52 17.986 -4.372 -1.847 1.00 0.00 O ATOM 756 CB LYS A 52 15.277 -6.251 -1.532 1.00 0.00 C ATOM 757 CG LYS A 52 15.028 -7.623 -0.930 1.00 0.00 C ATOM 758 CD LYS A 52 13.938 -7.579 0.128 1.00 0.00 C ATOM 759 CE LYS A 52 13.844 -8.893 0.887 1.00 0.00 C ATOM 760 NZ LYS A 52 13.349 -9.999 0.023 1.00 0.00 N ATOM 0 H LYS A 52 14.330 -4.773 0.231 1.00 0.00 H new ATOM 0 HA LYS A 52 16.922 -5.942 -0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.319 -5.763 -1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.760 -6.371 -2.502 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.744 -8.321 -1.718 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.950 -8.000 -0.488 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.141 -6.768 0.827 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.980 -7.361 -0.344 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.825 -9.154 1.284 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.177 -8.772 1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.299 -10.877 0.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.402 -9.762 -0.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.999 -10.132 -0.778 1.00 0.00 H new ATOM 774 N HIS A 53 16.040 -3.243 -1.863 1.00 0.00 N ATOM 775 CA HIS A 53 16.555 -2.150 -2.680 1.00 0.00 C ATOM 776 C HIS A 53 16.590 -0.848 -1.886 1.00 0.00 C ATOM 777 O HIS A 53 15.812 0.075 -2.125 1.00 0.00 O ATOM 778 CB HIS A 53 15.696 -1.973 -3.933 1.00 0.00 C ATOM 779 CG HIS A 53 15.528 -3.233 -4.726 1.00 0.00 C ATOM 780 ND1 HIS A 53 16.230 -3.493 -5.884 1.00 0.00 N ATOM 781 CD2 HIS A 53 14.733 -4.309 -4.521 1.00 0.00 C ATOM 782 CE1 HIS A 53 15.873 -4.673 -6.358 1.00 0.00 C ATOM 783 NE2 HIS A 53 14.965 -5.189 -5.548 1.00 0.00 N ATOM 0 H HIS A 53 15.061 -3.144 -1.595 1.00 0.00 H new ATOM 0 HA HIS A 53 17.573 -2.401 -2.978 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.713 -1.603 -3.641 1.00 0.00 H new ATOM 0 HB3 HIS A 53 16.147 -1.211 -4.568 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.044 -4.449 -3.701 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.257 -5.137 -7.254 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.510 -6.094 -5.667 1.00 0.00 H new ATOM 791 N PRO A 54 17.514 -0.770 -0.917 1.00 0.00 N ATOM 792 CA PRO A 54 17.673 0.414 -0.067 1.00 0.00 C ATOM 793 C PRO A 54 18.235 1.606 -0.834 1.00 0.00 C ATOM 794 O PRO A 54 17.900 2.754 -0.546 1.00 0.00 O ATOM 795 CB PRO A 54 18.664 -0.048 1.004 1.00 0.00 C ATOM 796 CG PRO A 54 19.434 -1.147 0.359 1.00 0.00 C ATOM 797 CD PRO A 54 18.475 -1.832 -0.576 1.00 0.00 C ATOM 0 HA PRO A 54 16.720 0.758 0.335 1.00 0.00 H new ATOM 0 HB2 PRO A 54 19.320 0.766 1.314 1.00 0.00 H new ATOM 0 HB3 PRO A 54 18.147 -0.398 1.897 1.00 0.00 H new ATOM 0 HG2 PRO A 54 20.294 -0.755 -0.183 1.00 0.00 H new ATOM 0 HG3 PRO A 54 19.818 -1.844 1.104 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.982 -2.215 -1.462 1.00 0.00 H new ATOM 0 HD3 PRO A 54 17.984 -2.680 -0.098 1.00 0.00 H new ATOM 805 N GLU A 55 19.092 1.325 -1.811 1.00 0.00 N ATOM 806 CA GLU A 55 19.701 2.376 -2.619 1.00 0.00 C ATOM 807 C GLU A 55 18.632 3.228 -3.298 1.00 0.00 C ATOM 808 O GLU A 55 18.877 4.378 -3.657 1.00 0.00 O ATOM 809 CB GLU A 55 20.629 1.767 -3.672 1.00 0.00 C ATOM 810 CG GLU A 55 22.007 1.416 -3.138 1.00 0.00 C ATOM 811 CD GLU A 55 23.026 1.212 -4.243 1.00 0.00 C ATOM 812 OE1 GLU A 55 23.140 2.098 -5.116 1.00 0.00 O ATOM 813 OE2 GLU A 55 23.709 0.167 -4.234 1.00 0.00 O ATOM 0 H GLU A 55 19.380 0.379 -2.062 1.00 0.00 H new ATOM 0 HA GLU A 55 20.285 3.016 -1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.165 0.867 -4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 55 20.737 2.469 -4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 55 22.349 2.211 -2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 55 21.940 0.508 -2.538 1.00 0.00 H new ATOM 820 N ASN A 56 17.446 2.653 -3.470 1.00 0.00 N ATOM 821 CA ASN A 56 16.340 3.358 -4.107 1.00 0.00 C ATOM 822 C ASN A 56 15.272 3.732 -3.083 1.00 0.00 C ATOM 823 O ASN A 56 14.710 2.879 -2.396 1.00 0.00 O ATOM 824 CB ASN A 56 15.725 2.495 -5.210 1.00 0.00 C ATOM 825 CG ASN A 56 14.984 3.320 -6.244 1.00 0.00 C ATOM 826 OD1 ASN A 56 15.555 4.217 -6.864 1.00 0.00 O ATOM 827 ND2 ASN A 56 13.704 3.019 -6.435 1.00 0.00 N ATOM 0 H ASN A 56 17.226 1.701 -3.177 1.00 0.00 H new ATOM 0 HA ASN A 56 16.732 4.274 -4.548 1.00 0.00 H new ATOM 0 HB2 ASN A 56 16.512 1.923 -5.702 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.039 1.775 -4.764 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.154 3.540 -7.118 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.271 2.267 -5.898 1.00 0.00 H new ATOM 834 N PRO A 57 14.985 5.038 -2.979 1.00 0.00 N ATOM 835 CA PRO A 57 13.982 5.555 -2.043 1.00 0.00 C ATOM 836 C PRO A 57 12.562 5.175 -2.447 1.00 0.00 C ATOM 837 O PRO A 57 11.755 4.767 -1.610 1.00 0.00 O ATOM 838 CB PRO A 57 14.172 7.072 -2.122 1.00 0.00 C ATOM 839 CG PRO A 57 14.760 7.311 -3.470 1.00 0.00 C ATOM 840 CD PRO A 57 15.616 6.110 -3.767 1.00 0.00 C ATOM 0 HA PRO A 57 14.111 5.147 -1.041 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.224 7.596 -2.005 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.833 7.430 -1.333 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.979 7.429 -4.221 1.00 0.00 H new ATOM 0 HG3 PRO A 57 15.353 8.225 -3.481 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.623 5.875 -4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.652 6.271 -3.469 1.00 0.00 H new ATOM 848 N LYS A 58 12.261 5.309 -3.734 1.00 0.00 N ATOM 849 CA LYS A 58 10.938 4.978 -4.250 1.00 0.00 C ATOM 850 C LYS A 58 10.413 3.694 -3.616 1.00 0.00 C ATOM 851 O LYS A 58 9.264 3.631 -3.179 1.00 0.00 O ATOM 852 CB LYS A 58 10.985 4.825 -5.772 1.00 0.00 C ATOM 853 CG LYS A 58 11.573 6.030 -6.486 1.00 0.00 C ATOM 854 CD LYS A 58 11.022 6.166 -7.895 1.00 0.00 C ATOM 855 CE LYS A 58 11.853 5.379 -8.897 1.00 0.00 C ATOM 856 NZ LYS A 58 11.380 3.973 -9.027 1.00 0.00 N ATOM 0 H LYS A 58 12.916 5.645 -4.440 1.00 0.00 H new ATOM 0 HA LYS A 58 10.261 5.793 -3.994 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.573 3.942 -6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.975 4.651 -6.143 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.352 6.934 -5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.658 5.937 -6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.991 5.813 -7.919 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.006 7.218 -8.181 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.808 5.869 -9.870 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.898 5.383 -8.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.993 3.461 -9.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.414 3.508 -8.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.402 3.967 -9.381 1.00 0.00 H new ATOM 870 N ALA A 59 11.262 2.673 -3.567 1.00 0.00 N ATOM 871 CA ALA A 59 10.884 1.392 -2.983 1.00 0.00 C ATOM 872 C ALA A 59 10.018 1.588 -1.743 1.00 0.00 C ATOM 873 O ALA A 59 8.894 1.091 -1.674 1.00 0.00 O ATOM 874 CB ALA A 59 12.125 0.581 -2.640 1.00 0.00 C ATOM 0 H ALA A 59 12.217 2.708 -3.925 1.00 0.00 H new ATOM 0 HA ALA A 59 10.298 0.844 -3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.827 -0.373 -2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.704 0.402 -3.546 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.734 1.133 -1.923 1.00 0.00 H new ATOM 880 N VAL A 60 10.549 2.315 -0.765 1.00 0.00 N ATOM 881 CA VAL A 60 9.825 2.577 0.472 1.00 0.00 C ATOM 882 C VAL A 60 8.399 3.034 0.188 1.00 0.00 C ATOM 883 O VAL A 60 7.451 2.573 0.823 1.00 0.00 O ATOM 884 CB VAL A 60 10.535 3.647 1.323 1.00 0.00 C ATOM 885 CG1 VAL A 60 9.702 3.996 2.547 1.00 0.00 C ATOM 886 CG2 VAL A 60 11.921 3.169 1.730 1.00 0.00 C ATOM 0 H VAL A 60 11.479 2.733 -0.806 1.00 0.00 H new ATOM 0 HA VAL A 60 9.799 1.640 1.028 1.00 0.00 H new ATOM 0 HB VAL A 60 10.648 4.549 0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.220 4.753 3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.733 4.383 2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.555 3.103 3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 60 12.409 3.937 2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.833 2.253 2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.515 2.974 0.837 1.00 0.00 H new ATOM 896 N GLU A 61 8.255 3.944 -0.771 1.00 0.00 N ATOM 897 CA GLU A 61 6.943 4.464 -1.139 1.00 0.00 C ATOM 898 C GLU A 61 6.084 3.374 -1.774 1.00 0.00 C ATOM 899 O GLU A 61 4.903 3.233 -1.456 1.00 0.00 O ATOM 900 CB GLU A 61 7.089 5.641 -2.105 1.00 0.00 C ATOM 901 CG GLU A 61 5.770 6.110 -2.696 1.00 0.00 C ATOM 902 CD GLU A 61 5.086 7.156 -1.838 1.00 0.00 C ATOM 903 OE1 GLU A 61 4.467 6.777 -0.821 1.00 0.00 O ATOM 904 OE2 GLU A 61 5.169 8.353 -2.183 1.00 0.00 O ATOM 0 H GLU A 61 9.030 4.336 -1.306 1.00 0.00 H new ATOM 0 HA GLU A 61 6.449 4.808 -0.230 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.560 6.473 -1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.759 5.354 -2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.947 6.520 -3.690 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.106 5.254 -2.818 1.00 0.00 H new ATOM 911 N THR A 62 6.687 2.604 -2.675 1.00 0.00 N ATOM 912 CA THR A 62 5.978 1.528 -3.357 1.00 0.00 C ATOM 913 C THR A 62 5.416 0.522 -2.360 1.00 0.00 C ATOM 914 O THR A 62 4.378 -0.094 -2.603 1.00 0.00 O ATOM 915 CB THR A 62 6.897 0.791 -4.349 1.00 0.00 C ATOM 916 OG1 THR A 62 7.543 1.734 -5.212 1.00 0.00 O ATOM 917 CG2 THR A 62 6.106 -0.206 -5.182 1.00 0.00 C ATOM 0 H THR A 62 7.664 2.706 -2.949 1.00 0.00 H new ATOM 0 HA THR A 62 5.157 1.989 -3.906 1.00 0.00 H new ATOM 0 HB THR A 62 7.649 0.247 -3.777 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.127 1.258 -5.839 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.777 -0.714 -5.875 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.639 -0.940 -4.525 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.334 0.320 -5.744 1.00 0.00 H new ATOM 925 N PHE A 63 6.106 0.360 -1.236 1.00 0.00 N ATOM 926 CA PHE A 63 5.675 -0.572 -0.201 1.00 0.00 C ATOM 927 C PHE A 63 4.655 0.080 0.728 1.00 0.00 C ATOM 928 O PHE A 63 3.765 -0.587 1.254 1.00 0.00 O ATOM 929 CB PHE A 63 6.878 -1.062 0.608 1.00 0.00 C ATOM 930 CG PHE A 63 6.524 -2.083 1.651 1.00 0.00 C ATOM 931 CD1 PHE A 63 5.969 -3.299 1.288 1.00 0.00 C ATOM 932 CD2 PHE A 63 6.745 -1.826 2.994 1.00 0.00 C ATOM 933 CE1 PHE A 63 5.642 -4.241 2.245 1.00 0.00 C ATOM 934 CE2 PHE A 63 6.421 -2.764 3.956 1.00 0.00 C ATOM 935 CZ PHE A 63 5.867 -3.973 3.581 1.00 0.00 C ATOM 0 H PHE A 63 6.967 0.863 -1.019 1.00 0.00 H new ATOM 0 HA PHE A 63 5.203 -1.424 -0.689 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.613 -1.490 -0.073 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.352 -0.208 1.093 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.790 -3.514 0.245 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.175 -0.882 3.293 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.211 -5.186 1.948 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.601 -2.552 5.000 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.611 -4.707 4.331 1.00 0.00 H new ATOM 945 N GLN A 64 4.793 1.387 0.924 1.00 0.00 N ATOM 946 CA GLN A 64 3.884 2.129 1.790 1.00 0.00 C ATOM 947 C GLN A 64 2.483 2.183 1.190 1.00 0.00 C ATOM 948 O GLN A 64 1.485 2.139 1.911 1.00 0.00 O ATOM 949 CB GLN A 64 4.409 3.548 2.018 1.00 0.00 C ATOM 950 CG GLN A 64 5.507 3.629 3.066 1.00 0.00 C ATOM 951 CD GLN A 64 6.124 5.011 3.159 1.00 0.00 C ATOM 952 OE1 GLN A 64 6.340 5.677 2.146 1.00 0.00 O ATOM 953 NE2 GLN A 64 6.412 5.450 4.379 1.00 0.00 N ATOM 0 H GLN A 64 5.525 1.954 0.495 1.00 0.00 H new ATOM 0 HA GLN A 64 3.829 1.611 2.747 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.788 3.942 1.075 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.581 4.189 2.321 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.098 3.352 4.038 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.285 2.903 2.829 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.216 4.865 5.191 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.829 6.372 4.504 1.00 0.00 H new ATOM 962 N LYS A 65 2.414 2.278 -0.133 1.00 0.00 N ATOM 963 CA LYS A 65 1.135 2.337 -0.831 1.00 0.00 C ATOM 964 C LYS A 65 0.490 0.957 -0.902 1.00 0.00 C ATOM 965 O LYS A 65 -0.725 0.820 -0.751 1.00 0.00 O ATOM 966 CB LYS A 65 1.327 2.895 -2.244 1.00 0.00 C ATOM 967 CG LYS A 65 1.671 1.834 -3.275 1.00 0.00 C ATOM 968 CD LYS A 65 2.263 2.449 -4.532 1.00 0.00 C ATOM 969 CE LYS A 65 2.672 1.382 -5.536 1.00 0.00 C ATOM 970 NZ LYS A 65 3.133 1.977 -6.821 1.00 0.00 N ATOM 0 H LYS A 65 3.230 2.316 -0.744 1.00 0.00 H new ATOM 0 HA LYS A 65 0.474 2.999 -0.272 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.414 3.406 -2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.120 3.643 -2.226 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.380 1.126 -2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.774 1.271 -3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.534 3.119 -4.988 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.131 3.054 -4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.469 0.771 -5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.828 0.719 -5.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.403 1.217 -7.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.364 2.540 -7.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.954 2.590 -6.645 1.00 0.00 H new ATOM 984 N LEU A 66 1.309 -0.063 -1.130 1.00 0.00 N ATOM 985 CA LEU A 66 0.818 -1.434 -1.218 1.00 0.00 C ATOM 986 C LEU A 66 0.185 -1.872 0.099 1.00 0.00 C ATOM 987 O LEU A 66 -0.960 -2.323 0.128 1.00 0.00 O ATOM 988 CB LEU A 66 1.959 -2.383 -1.589 1.00 0.00 C ATOM 989 CG LEU A 66 2.351 -2.416 -3.067 1.00 0.00 C ATOM 990 CD1 LEU A 66 3.633 -3.211 -3.261 1.00 0.00 C ATOM 991 CD2 LEU A 66 1.225 -3.004 -3.904 1.00 0.00 C ATOM 0 H LEU A 66 2.316 0.033 -1.257 1.00 0.00 H new ATOM 0 HA LEU A 66 0.056 -1.471 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.838 -2.107 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.679 -3.392 -1.285 1.00 0.00 H new ATOM 0 HG LEU A 66 2.528 -1.393 -3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.897 -3.224 -4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.439 -2.747 -2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.484 -4.233 -2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.521 -3.020 -4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.016 -4.021 -3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.329 -2.394 -3.789 1.00 0.00 H new ATOM 1003 N GLN A 67 0.937 -1.733 1.186 1.00 0.00 N ATOM 1004 CA GLN A 67 0.448 -2.113 2.506 1.00 0.00 C ATOM 1005 C GLN A 67 -0.877 -1.424 2.814 1.00 0.00 C ATOM 1006 O GLN A 67 -1.765 -2.011 3.435 1.00 0.00 O ATOM 1007 CB GLN A 67 1.481 -1.759 3.577 1.00 0.00 C ATOM 1008 CG GLN A 67 1.705 -0.264 3.736 1.00 0.00 C ATOM 1009 CD GLN A 67 2.503 0.078 4.979 1.00 0.00 C ATOM 1010 OE1 GLN A 67 2.939 -0.808 5.714 1.00 0.00 O ATOM 1011 NE2 GLN A 67 2.698 1.369 5.221 1.00 0.00 N ATOM 0 H GLN A 67 1.886 -1.360 1.179 1.00 0.00 H new ATOM 0 HA GLN A 67 0.286 -3.191 2.510 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.158 -2.173 4.532 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.429 -2.235 3.327 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.227 0.117 2.858 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.740 0.242 3.778 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.318 2.070 4.585 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.227 1.660 6.043 1.00 0.00 H new ATOM 1020 N LYS A 68 -1.006 -0.176 2.378 1.00 0.00 N ATOM 1021 CA LYS A 68 -2.223 0.594 2.606 1.00 0.00 C ATOM 1022 C LYS A 68 -3.402 -0.018 1.856 1.00 0.00 C ATOM 1023 O LYS A 68 -4.324 -0.560 2.465 1.00 0.00 O ATOM 1024 CB LYS A 68 -2.023 2.046 2.166 1.00 0.00 C ATOM 1025 CG LYS A 68 -1.398 2.924 3.235 1.00 0.00 C ATOM 1026 CD LYS A 68 -2.354 3.161 4.393 1.00 0.00 C ATOM 1027 CE LYS A 68 -3.209 4.398 4.165 1.00 0.00 C ATOM 1028 NZ LYS A 68 -4.046 4.719 5.354 1.00 0.00 N ATOM 0 H LYS A 68 -0.281 0.325 1.864 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.443 0.572 3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.391 2.064 1.278 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.987 2.466 1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.486 2.455 3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.110 3.880 2.799 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.998 2.290 4.519 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.787 3.274 5.317 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.566 5.247 3.934 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.852 4.241 3.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.978 5.057 5.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.165 3.865 5.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.580 5.459 5.917 1.00 0.00 H new ATOM 1042 N ALA A 69 -3.364 0.071 0.530 1.00 0.00 N ATOM 1043 CA ALA A 69 -4.428 -0.477 -0.303 1.00 0.00 C ATOM 1044 C ALA A 69 -4.905 -1.823 0.232 1.00 0.00 C ATOM 1045 O ALA A 69 -6.106 -2.086 0.298 1.00 0.00 O ATOM 1046 CB ALA A 69 -3.953 -0.617 -1.741 1.00 0.00 C ATOM 0 H ALA A 69 -2.608 0.517 0.010 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.270 0.215 -0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.757 -1.027 -2.352 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.668 0.362 -2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.093 -1.286 -1.777 1.00 0.00 H new ATOM 1052 N LYS A 70 -3.958 -2.673 0.612 1.00 0.00 N ATOM 1053 CA LYS A 70 -4.281 -3.993 1.142 1.00 0.00 C ATOM 1054 C LYS A 70 -5.134 -3.880 2.401 1.00 0.00 C ATOM 1055 O LYS A 70 -6.298 -4.281 2.410 1.00 0.00 O ATOM 1056 CB LYS A 70 -2.998 -4.769 1.450 1.00 0.00 C ATOM 1057 CG LYS A 70 -3.238 -6.061 2.212 1.00 0.00 C ATOM 1058 CD LYS A 70 -2.026 -6.451 3.042 1.00 0.00 C ATOM 1059 CE LYS A 70 -2.431 -7.221 4.290 1.00 0.00 C ATOM 1060 NZ LYS A 70 -2.705 -6.312 5.438 1.00 0.00 N ATOM 0 H LYS A 70 -2.959 -2.472 0.563 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.852 -4.531 0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.488 -4.998 0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.329 -4.133 2.030 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.104 -5.945 2.863 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.472 -6.861 1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.352 -7.060 2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.476 -5.555 3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.319 -7.816 4.078 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.638 -7.918 4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.978 -6.875 6.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.850 -5.762 5.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.479 -5.663 5.190 1.00 0.00 H new ATOM 1074 N GLU A 71 -4.549 -3.330 3.460 1.00 0.00 N ATOM 1075 CA GLU A 71 -5.258 -3.164 4.723 1.00 0.00 C ATOM 1076 C GLU A 71 -6.667 -2.629 4.490 1.00 0.00 C ATOM 1077 O GLU A 71 -7.622 -3.063 5.135 1.00 0.00 O ATOM 1078 CB GLU A 71 -4.487 -2.218 5.646 1.00 0.00 C ATOM 1079 CG GLU A 71 -4.835 -2.383 7.116 1.00 0.00 C ATOM 1080 CD GLU A 71 -4.046 -1.447 8.011 1.00 0.00 C ATOM 1081 OE1 GLU A 71 -2.814 -1.622 8.113 1.00 0.00 O ATOM 1082 OE2 GLU A 71 -4.661 -0.539 8.609 1.00 0.00 O ATOM 0 H GLU A 71 -3.587 -2.992 3.468 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.334 -4.142 5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.418 -2.386 5.513 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.688 -1.189 5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.901 -2.201 7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.645 -3.413 7.417 1.00 0.00 H new ATOM 1089 N ILE A 72 -6.789 -1.682 3.566 1.00 0.00 N ATOM 1090 CA ILE A 72 -8.081 -1.088 3.247 1.00 0.00 C ATOM 1091 C ILE A 72 -9.033 -2.124 2.661 1.00 0.00 C ATOM 1092 O ILE A 72 -10.186 -2.233 3.081 1.00 0.00 O ATOM 1093 CB ILE A 72 -7.934 0.079 2.252 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -6.924 1.102 2.777 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -9.283 0.737 2.004 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -7.482 1.999 3.860 1.00 0.00 C ATOM 0 H ILE A 72 -6.008 -1.310 3.025 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.493 -0.708 4.182 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.565 -0.315 1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.053 0.574 3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.579 1.719 1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.162 1.560 1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.975 0.003 1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.679 1.120 2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.712 2.699 4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.335 2.554 3.469 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.801 1.392 4.707 1.00 0.00 H new ATOM 1108 N LEU A 73 -8.545 -2.885 1.688 1.00 0.00 N ATOM 1109 CA LEU A 73 -9.352 -3.916 1.044 1.00 0.00 C ATOM 1110 C LEU A 73 -9.515 -5.128 1.955 1.00 0.00 C ATOM 1111 O LEU A 73 -10.624 -5.454 2.382 1.00 0.00 O ATOM 1112 CB LEU A 73 -8.711 -4.341 -0.279 1.00 0.00 C ATOM 1113 CG LEU A 73 -8.571 -3.247 -1.338 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -7.864 -3.786 -2.572 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -9.935 -2.682 -1.706 1.00 0.00 C ATOM 0 H LEU A 73 -7.594 -2.808 1.327 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.339 -3.498 0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.720 -4.743 -0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.301 -5.154 -0.701 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.967 -2.441 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.773 -2.993 -3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.871 -4.140 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.440 -4.611 -2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.815 -1.905 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.564 -3.479 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.404 -2.257 -0.819 1.00 0.00 H new ATOM 1127 N THR A 74 -8.403 -5.793 2.252 1.00 0.00 N ATOM 1128 CA THR A 74 -8.422 -6.968 3.114 1.00 0.00 C ATOM 1129 C THR A 74 -9.479 -6.834 4.204 1.00 0.00 C ATOM 1130 O THR A 74 -10.282 -7.741 4.419 1.00 0.00 O ATOM 1131 CB THR A 74 -7.049 -7.205 3.771 1.00 0.00 C ATOM 1132 OG1 THR A 74 -6.620 -6.020 4.450 1.00 0.00 O ATOM 1133 CG2 THR A 74 -6.013 -7.604 2.732 1.00 0.00 C ATOM 0 H THR A 74 -7.477 -5.538 1.908 1.00 0.00 H new ATOM 0 HA THR A 74 -8.665 -7.821 2.480 1.00 0.00 H new ATOM 0 HB THR A 74 -7.150 -8.018 4.490 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.637 -5.263 3.828 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.052 -7.766 3.220 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.328 -8.523 2.238 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.915 -6.810 1.992 1.00 0.00 H new ATOM 1141 N ASN A 75 -9.473 -5.696 4.890 1.00 0.00 N ATOM 1142 CA ASN A 75 -10.432 -5.442 5.959 1.00 0.00 C ATOM 1143 C ASN A 75 -11.750 -4.922 5.395 1.00 0.00 C ATOM 1144 O ASN A 75 -11.782 -3.902 4.707 1.00 0.00 O ATOM 1145 CB ASN A 75 -9.859 -4.436 6.959 1.00 0.00 C ATOM 1146 CG ASN A 75 -8.934 -5.086 7.969 1.00 0.00 C ATOM 1147 OD1 ASN A 75 -7.769 -4.709 8.094 1.00 0.00 O ATOM 1148 ND2 ASN A 75 -9.450 -6.070 8.696 1.00 0.00 N ATOM 0 H ASN A 75 -8.815 -4.935 4.725 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.624 -6.384 6.472 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.315 -3.661 6.419 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.678 -3.944 7.484 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.875 -6.546 9.391 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.421 -6.350 8.559 1.00 0.00 H new ATOM 1155 N GLU A 76 -12.835 -5.630 5.693 1.00 0.00 N ATOM 1156 CA GLU A 76 -14.156 -5.239 5.214 1.00 0.00 C ATOM 1157 C GLU A 76 -14.527 -3.847 5.718 1.00 0.00 C ATOM 1158 O GLU A 76 -15.054 -3.025 4.969 1.00 0.00 O ATOM 1159 CB GLU A 76 -15.208 -6.254 5.667 1.00 0.00 C ATOM 1160 CG GLU A 76 -16.425 -6.316 4.759 1.00 0.00 C ATOM 1161 CD GLU A 76 -17.337 -7.482 5.085 1.00 0.00 C ATOM 1162 OE1 GLU A 76 -16.818 -8.585 5.358 1.00 0.00 O ATOM 1163 OE2 GLU A 76 -18.572 -7.292 5.067 1.00 0.00 O ATOM 0 H GLU A 76 -12.826 -6.476 6.263 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.128 -5.217 4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.750 -7.242 5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.531 -6.003 6.677 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -16.986 -5.386 4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.097 -6.395 3.723 1.00 0.00 H new ATOM 1170 N GLU A 77 -14.249 -3.592 6.993 1.00 0.00 N ATOM 1171 CA GLU A 77 -14.554 -2.300 7.597 1.00 0.00 C ATOM 1172 C GLU A 77 -14.073 -1.157 6.709 1.00 0.00 C ATOM 1173 O GLU A 77 -14.860 -0.305 6.294 1.00 0.00 O ATOM 1174 CB GLU A 77 -13.908 -2.193 8.980 1.00 0.00 C ATOM 1175 CG GLU A 77 -14.259 -0.913 9.718 1.00 0.00 C ATOM 1176 CD GLU A 77 -13.392 -0.689 10.942 1.00 0.00 C ATOM 1177 OE1 GLU A 77 -12.303 -0.096 10.799 1.00 0.00 O ATOM 1178 OE2 GLU A 77 -13.805 -1.107 12.045 1.00 0.00 O ATOM 0 H GLU A 77 -13.814 -4.262 7.627 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.636 -2.224 7.703 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.217 -3.047 9.583 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.825 -2.255 8.872 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.151 -0.066 9.041 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.306 -0.948 10.020 1.00 0.00 H new ATOM 1185 N SER A 78 -12.776 -1.144 6.421 1.00 0.00 N ATOM 1186 CA SER A 78 -12.188 -0.103 5.586 1.00 0.00 C ATOM 1187 C SER A 78 -12.663 -0.233 4.142 1.00 0.00 C ATOM 1188 O SER A 78 -13.122 0.737 3.539 1.00 0.00 O ATOM 1189 CB SER A 78 -10.661 -0.177 5.642 1.00 0.00 C ATOM 1190 OG SER A 78 -10.218 -1.520 5.732 1.00 0.00 O ATOM 0 H SER A 78 -12.112 -1.843 6.754 1.00 0.00 H new ATOM 0 HA SER A 78 -12.512 0.864 5.971 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.238 0.290 4.752 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.298 0.387 6.501 1.00 0.00 H new ATOM 0 HG SER A 78 -10.253 -1.936 4.845 1.00 0.00 H new ATOM 1196 N ARG A 79 -12.547 -1.438 3.594 1.00 0.00 N ATOM 1197 CA ARG A 79 -12.963 -1.696 2.221 1.00 0.00 C ATOM 1198 C ARG A 79 -14.342 -1.101 1.949 1.00 0.00 C ATOM 1199 O ARG A 79 -14.590 -0.547 0.879 1.00 0.00 O ATOM 1200 CB ARG A 79 -12.981 -3.200 1.944 1.00 0.00 C ATOM 1201 CG ARG A 79 -13.263 -3.549 0.492 1.00 0.00 C ATOM 1202 CD ARG A 79 -13.044 -5.030 0.223 1.00 0.00 C ATOM 1203 NE ARG A 79 -12.908 -5.312 -1.204 1.00 0.00 N ATOM 1204 CZ ARG A 79 -12.725 -6.532 -1.697 1.00 0.00 C ATOM 1205 NH1 ARG A 79 -12.657 -7.577 -0.884 1.00 0.00 N ATOM 1206 NH2 ARG A 79 -12.611 -6.708 -3.008 1.00 0.00 N ATOM 0 H ARG A 79 -12.168 -2.251 4.080 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.243 -1.220 1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -12.019 -3.625 2.231 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.737 -3.668 2.575 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.290 -3.281 0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.615 -2.960 -0.157 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.148 -5.365 0.746 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.881 -5.600 0.627 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.956 -4.530 -1.857 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.745 -7.446 0.124 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.516 -8.512 -1.266 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.664 -5.907 -3.637 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.470 -7.645 -3.387 1.00 0.00 H new ATOM 1220 N ALA A 80 -15.235 -1.221 2.926 1.00 0.00 N ATOM 1221 CA ALA A 80 -16.588 -0.695 2.793 1.00 0.00 C ATOM 1222 C ALA A 80 -16.576 0.825 2.671 1.00 0.00 C ATOM 1223 O ALA A 80 -17.320 1.399 1.875 1.00 0.00 O ATOM 1224 CB ALA A 80 -17.440 -1.124 3.978 1.00 0.00 C ATOM 0 H ALA A 80 -15.046 -1.678 3.818 1.00 0.00 H new ATOM 0 HA ALA A 80 -17.022 -1.104 1.881 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -18.448 -0.724 3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.484 -2.212 4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -17.000 -0.743 4.900 1.00 0.00 H new ATOM 1230 N ARG A 81 -15.728 1.471 3.464 1.00 0.00 N ATOM 1231 CA ARG A 81 -15.621 2.925 3.445 1.00 0.00 C ATOM 1232 C ARG A 81 -14.956 3.405 2.159 1.00 0.00 C ATOM 1233 O ARG A 81 -15.391 4.384 1.551 1.00 0.00 O ATOM 1234 CB ARG A 81 -14.825 3.415 4.657 1.00 0.00 C ATOM 1235 CG ARG A 81 -15.462 3.057 5.989 1.00 0.00 C ATOM 1236 CD ARG A 81 -16.518 4.074 6.393 1.00 0.00 C ATOM 1237 NE ARG A 81 -15.924 5.303 6.912 1.00 0.00 N ATOM 1238 CZ ARG A 81 -16.635 6.318 7.390 1.00 0.00 C ATOM 1239 NH1 ARG A 81 -17.958 6.251 7.416 1.00 0.00 N ATOM 1240 NH2 ARG A 81 -16.021 7.404 7.844 1.00 0.00 N ATOM 0 H ARG A 81 -15.105 1.011 4.128 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.629 3.339 3.489 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.822 2.991 4.618 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.716 4.498 4.596 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.915 2.068 5.923 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.692 3.005 6.759 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.143 4.309 5.532 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.170 3.638 7.150 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.907 5.387 6.907 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.433 5.418 7.068 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -18.501 7.032 7.784 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -15.003 7.459 7.826 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -16.568 8.183 8.211 1.00 0.00 H new ATOM 1254 N TYR A 82 -13.901 2.710 1.749 1.00 0.00 N ATOM 1255 CA TYR A 82 -13.175 3.066 0.536 1.00 0.00 C ATOM 1256 C TYR A 82 -14.114 3.124 -0.664 1.00 0.00 C ATOM 1257 O TYR A 82 -14.104 4.090 -1.428 1.00 0.00 O ATOM 1258 CB TYR A 82 -12.054 2.059 0.273 1.00 0.00 C ATOM 1259 CG TYR A 82 -11.174 2.425 -0.901 1.00 0.00 C ATOM 1260 CD1 TYR A 82 -10.473 3.625 -0.921 1.00 0.00 C ATOM 1261 CD2 TYR A 82 -11.045 1.572 -1.990 1.00 0.00 C ATOM 1262 CE1 TYR A 82 -9.669 3.964 -1.992 1.00 0.00 C ATOM 1263 CE2 TYR A 82 -10.241 1.902 -3.064 1.00 0.00 C ATOM 1264 CZ TYR A 82 -9.556 3.099 -3.060 1.00 0.00 C ATOM 1265 OH TYR A 82 -8.755 3.432 -4.129 1.00 0.00 O ATOM 0 H TYR A 82 -13.529 1.896 2.239 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.739 4.055 0.681 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.436 1.974 1.167 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.493 1.077 0.095 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -10.558 4.304 -0.085 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -11.582 0.635 -1.997 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.132 4.901 -1.993 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.149 1.227 -3.902 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.830 3.542 -3.823 1.00 0.00 H new ATOM 1275 N ASP A 83 -14.924 2.084 -0.824 1.00 0.00 N ATOM 1276 CA ASP A 83 -15.872 2.016 -1.930 1.00 0.00 C ATOM 1277 C ASP A 83 -16.742 3.268 -1.979 1.00 0.00 C ATOM 1278 O ASP A 83 -16.877 3.902 -3.026 1.00 0.00 O ATOM 1279 CB ASP A 83 -16.754 0.773 -1.798 1.00 0.00 C ATOM 1280 CG ASP A 83 -17.364 0.353 -3.121 1.00 0.00 C ATOM 1281 OD1 ASP A 83 -18.383 0.953 -3.521 1.00 0.00 O ATOM 1282 OD2 ASP A 83 -16.823 -0.577 -3.755 1.00 0.00 O ATOM 0 H ASP A 83 -14.943 1.276 -0.202 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.304 1.953 -2.858 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -16.161 -0.049 -1.397 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.550 0.971 -1.080 1.00 0.00 H new ATOM 1287 N HIS A 84 -17.330 3.618 -0.839 1.00 0.00 N ATOM 1288 CA HIS A 84 -18.188 4.795 -0.752 1.00 0.00 C ATOM 1289 C HIS A 84 -17.536 5.994 -1.434 1.00 0.00 C ATOM 1290 O HIS A 84 -18.202 6.765 -2.125 1.00 0.00 O ATOM 1291 CB HIS A 84 -18.488 5.126 0.710 1.00 0.00 C ATOM 1292 CG HIS A 84 -19.339 6.346 0.885 1.00 0.00 C ATOM 1293 ND1 HIS A 84 -20.706 6.291 1.064 1.00 0.00 N ATOM 1294 CD2 HIS A 84 -19.011 7.659 0.910 1.00 0.00 C ATOM 1295 CE1 HIS A 84 -21.181 7.517 1.189 1.00 0.00 C ATOM 1296 NE2 HIS A 84 -20.173 8.366 1.100 1.00 0.00 N ATOM 0 H HIS A 84 -17.228 3.104 0.036 1.00 0.00 H new ATOM 0 HA HIS A 84 -19.123 4.572 -1.265 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -18.988 4.275 1.171 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -17.548 5.270 1.242 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -18.020 8.074 0.801 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -22.218 7.781 1.339 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -20.246 9.381 1.162 1.00 0.00 H new ATOM 1304 N TRP A 85 -16.232 6.145 -1.235 1.00 0.00 N ATOM 1305 CA TRP A 85 -15.491 7.251 -1.830 1.00 0.00 C ATOM 1306 C TRP A 85 -15.390 7.087 -3.342 1.00 0.00 C ATOM 1307 O TRP A 85 -15.651 8.025 -4.096 1.00 0.00 O ATOM 1308 CB TRP A 85 -14.091 7.341 -1.220 1.00 0.00 C ATOM 1309 CG TRP A 85 -13.174 8.259 -1.970 1.00 0.00 C ATOM 1310 CD1 TRP A 85 -12.974 9.589 -1.734 1.00 0.00 C ATOM 1311 CD2 TRP A 85 -12.335 7.915 -3.078 1.00 0.00 C ATOM 1312 NE1 TRP A 85 -12.061 10.093 -2.629 1.00 0.00 N ATOM 1313 CE2 TRP A 85 -11.653 9.086 -3.463 1.00 0.00 C ATOM 1314 CE3 TRP A 85 -12.091 6.732 -3.780 1.00 0.00 C ATOM 1315 CZ2 TRP A 85 -10.746 9.105 -4.520 1.00 0.00 C ATOM 1316 CZ3 TRP A 85 -11.191 6.753 -4.829 1.00 0.00 C ATOM 1317 CH2 TRP A 85 -10.527 7.933 -5.190 1.00 0.00 C ATOM 0 H TRP A 85 -15.666 5.516 -0.666 1.00 0.00 H new ATOM 0 HA TRP A 85 -16.032 8.173 -1.618 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.173 7.684 -0.189 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -13.651 6.344 -1.190 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -13.462 10.161 -0.958 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -11.739 11.060 -2.666 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -12.597 5.817 -3.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -10.234 10.013 -4.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.996 5.845 -5.380 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -9.829 7.917 -6.014 1.00 0.00 H new ATOM 1328 N ARG A 86 -15.011 5.891 -3.780 1.00 0.00 N ATOM 1329 CA ARG A 86 -14.875 5.606 -5.203 1.00 0.00 C ATOM 1330 C ARG A 86 -16.106 6.077 -5.972 1.00 0.00 C ATOM 1331 O ARG A 86 -16.006 6.906 -6.876 1.00 0.00 O ATOM 1332 CB ARG A 86 -14.664 4.107 -5.427 1.00 0.00 C ATOM 1333 CG ARG A 86 -13.240 3.647 -5.161 1.00 0.00 C ATOM 1334 CD ARG A 86 -13.113 2.135 -5.272 1.00 0.00 C ATOM 1335 NE ARG A 86 -13.014 1.694 -6.660 1.00 0.00 N ATOM 1336 CZ ARG A 86 -14.068 1.477 -7.440 1.00 0.00 C ATOM 1337 NH1 ARG A 86 -15.294 1.660 -6.969 1.00 0.00 N ATOM 1338 NH2 ARG A 86 -13.896 1.077 -8.693 1.00 0.00 N ATOM 0 H ARG A 86 -14.793 5.104 -3.170 1.00 0.00 H new ATOM 0 HA ARG A 86 -14.006 6.148 -5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -15.343 3.552 -4.780 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -14.931 3.861 -6.455 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.564 4.123 -5.871 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.933 3.967 -4.165 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.231 1.804 -4.723 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.976 1.663 -4.803 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.085 1.544 -7.053 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.430 1.968 -6.006 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -16.101 1.493 -7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.954 0.936 -9.059 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.705 0.911 -9.291 1.00 0.00 H new ATOM 1352 N ARG A 87 -17.267 5.542 -5.606 1.00 0.00 N ATOM 1353 CA ARG A 87 -18.517 5.906 -6.262 1.00 0.00 C ATOM 1354 C ARG A 87 -18.735 7.415 -6.216 1.00 0.00 C ATOM 1355 O ARG A 87 -19.296 8.000 -7.143 1.00 0.00 O ATOM 1356 CB ARG A 87 -19.694 5.189 -5.598 1.00 0.00 C ATOM 1357 CG ARG A 87 -19.833 5.492 -4.115 1.00 0.00 C ATOM 1358 CD ARG A 87 -20.909 4.633 -3.470 1.00 0.00 C ATOM 1359 NE ARG A 87 -22.253 5.100 -3.799 1.00 0.00 N ATOM 1360 CZ ARG A 87 -22.868 6.084 -3.154 1.00 0.00 C ATOM 1361 NH1 ARG A 87 -22.262 6.703 -2.150 1.00 0.00 N ATOM 1362 NH2 ARG A 87 -24.091 6.452 -3.513 1.00 0.00 N ATOM 0 H ARG A 87 -17.367 4.855 -4.859 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.454 5.597 -7.305 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -20.615 5.473 -6.106 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -19.575 4.114 -5.731 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -18.880 5.318 -3.616 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -20.077 6.546 -3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -20.794 3.600 -3.799 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -20.778 4.640 -2.388 1.00 0.00 H new ATOM 0 HE ARG A 87 -22.747 4.645 -4.567 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -21.321 6.423 -1.872 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -22.737 7.459 -1.656 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -24.560 5.979 -4.285 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -24.562 7.208 -3.017 1.00 0.00 H new ATOM 1376 N SER A 88 -18.288 8.040 -5.131 1.00 0.00 N ATOM 1377 CA SER A 88 -18.439 9.481 -4.962 1.00 0.00 C ATOM 1378 C SER A 88 -17.570 10.239 -5.961 1.00 0.00 C ATOM 1379 O SER A 88 -17.679 11.457 -6.095 1.00 0.00 O ATOM 1380 CB SER A 88 -18.070 9.889 -3.534 1.00 0.00 C ATOM 1381 OG SER A 88 -19.046 9.444 -2.608 1.00 0.00 O ATOM 0 H SER A 88 -17.819 7.571 -4.356 1.00 0.00 H new ATOM 0 HA SER A 88 -19.482 9.737 -5.147 1.00 0.00 H new ATOM 0 HB2 SER A 88 -17.098 9.470 -3.272 1.00 0.00 H new ATOM 0 HB3 SER A 88 -17.976 10.973 -3.475 1.00 0.00 H new ATOM 0 HG SER A 88 -18.853 8.519 -2.348 1.00 0.00 H new ATOM 1387 N GLN A 89 -16.707 9.507 -6.659 1.00 0.00 N ATOM 1388 CA GLN A 89 -15.818 10.110 -7.645 1.00 0.00 C ATOM 1389 C GLN A 89 -15.373 11.499 -7.200 1.00 0.00 C ATOM 1390 O GLN A 89 -15.490 12.469 -7.949 1.00 0.00 O ATOM 1391 CB GLN A 89 -16.514 10.196 -9.005 1.00 0.00 C ATOM 1392 CG GLN A 89 -16.578 8.867 -9.740 1.00 0.00 C ATOM 1393 CD GLN A 89 -15.302 8.558 -10.499 1.00 0.00 C ATOM 1394 OE1 GLN A 89 -14.233 8.414 -9.906 1.00 0.00 O ATOM 1395 NE2 GLN A 89 -15.408 8.455 -11.819 1.00 0.00 N ATOM 0 H GLN A 89 -16.605 8.497 -6.560 1.00 0.00 H new ATOM 0 HA GLN A 89 -14.935 9.477 -7.736 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -17.527 10.572 -8.862 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -15.989 10.921 -9.627 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -16.772 8.069 -9.024 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -17.416 8.881 -10.437 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -16.314 8.582 -12.269 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.583 8.249 -12.382 1.00 0.00 H new ATOM 1404 N MET A 90 -14.862 11.588 -5.976 1.00 0.00 N ATOM 1405 CA MET A 90 -14.399 12.859 -5.432 1.00 0.00 C ATOM 1406 C MET A 90 -13.242 13.414 -6.256 1.00 0.00 C ATOM 1407 O MET A 90 -12.583 12.679 -6.991 1.00 0.00 O ATOM 1408 CB MET A 90 -13.966 12.687 -3.974 1.00 0.00 C ATOM 1409 CG MET A 90 -15.012 12.007 -3.106 1.00 0.00 C ATOM 1410 SD MET A 90 -16.183 13.175 -2.387 1.00 0.00 S ATOM 1411 CE MET A 90 -17.153 12.085 -1.348 1.00 0.00 C ATOM 0 H MET A 90 -14.758 10.795 -5.343 1.00 0.00 H new ATOM 0 HA MET A 90 -15.226 13.568 -5.477 1.00 0.00 H new ATOM 0 HB2 MET A 90 -13.045 12.104 -3.943 1.00 0.00 H new ATOM 0 HB3 MET A 90 -13.737 13.666 -3.553 1.00 0.00 H new ATOM 0 HG2 MET A 90 -15.555 11.275 -3.704 1.00 0.00 H new ATOM 0 HG3 MET A 90 -14.514 11.458 -2.306 1.00 0.00 H new ATOM 0 HE1 MET A 90 -18.186 12.076 -1.695 1.00 0.00 H new ATOM 0 HE2 MET A 90 -16.744 11.076 -1.398 1.00 0.00 H new ATOM 0 HE3 MET A 90 -17.119 12.439 -0.318 1.00 0.00 H new ATOM 1421 N SER A 91 -13.001 14.715 -6.129 1.00 0.00 N ATOM 1422 CA SER A 91 -11.926 15.369 -6.866 1.00 0.00 C ATOM 1423 C SER A 91 -10.565 14.992 -6.289 1.00 0.00 C ATOM 1424 O SER A 91 -9.630 14.683 -7.027 1.00 0.00 O ATOM 1425 CB SER A 91 -12.105 16.888 -6.830 1.00 0.00 C ATOM 1426 OG SER A 91 -13.425 17.255 -7.193 1.00 0.00 O ATOM 0 H SER A 91 -13.536 15.337 -5.523 1.00 0.00 H new ATOM 0 HA SER A 91 -11.969 15.030 -7.901 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.883 17.260 -5.830 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.394 17.357 -7.510 1.00 0.00 H new ATOM 0 HG SER A 91 -13.514 18.230 -7.161 1.00 0.00 H new ATOM 1432 N MET A 92 -10.462 15.020 -4.964 1.00 0.00 N ATOM 1433 CA MET A 92 -9.216 14.680 -4.287 1.00 0.00 C ATOM 1434 C MET A 92 -9.096 13.172 -4.094 1.00 0.00 C ATOM 1435 O MET A 92 -10.090 12.447 -4.051 1.00 0.00 O ATOM 1436 CB MET A 92 -9.136 15.388 -2.933 1.00 0.00 C ATOM 1437 CG MET A 92 -9.726 14.579 -1.789 1.00 0.00 C ATOM 1438 SD MET A 92 -11.517 14.405 -1.913 1.00 0.00 S ATOM 1439 CE MET A 92 -12.053 15.457 -0.567 1.00 0.00 C ATOM 0 H MET A 92 -11.226 15.275 -4.338 1.00 0.00 H new ATOM 0 HA MET A 92 -8.389 15.015 -4.913 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.093 15.611 -2.710 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.658 16.342 -3.000 1.00 0.00 H new ATOM 0 HG2 MET A 92 -9.269 13.590 -1.775 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.476 15.059 -0.843 1.00 0.00 H new ATOM 0 HE1 MET A 92 -13.142 15.454 -0.514 1.00 0.00 H new ATOM 0 HE2 MET A 92 -11.643 15.084 0.372 1.00 0.00 H new ATOM 0 HE3 MET A 92 -11.701 16.474 -0.738 1.00 0.00 H new ATOM 1449 N PRO A 93 -7.851 12.687 -3.974 1.00 0.00 N ATOM 1450 CA PRO A 93 -7.573 11.260 -3.782 1.00 0.00 C ATOM 1451 C PRO A 93 -8.004 10.765 -2.406 1.00 0.00 C ATOM 1452 O PRO A 93 -8.031 11.529 -1.441 1.00 0.00 O ATOM 1453 CB PRO A 93 -6.052 11.173 -3.930 1.00 0.00 C ATOM 1454 CG PRO A 93 -5.557 12.530 -3.565 1.00 0.00 C ATOM 1455 CD PRO A 93 -6.620 13.493 -4.015 1.00 0.00 C ATOM 0 HA PRO A 93 -8.121 10.639 -4.491 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.634 10.409 -3.274 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.768 10.909 -4.949 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.389 12.608 -2.491 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.606 12.743 -4.053 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.684 14.358 -3.355 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.421 13.871 -5.018 1.00 0.00 H new ATOM 1463 N PHE A 94 -8.339 9.482 -2.322 1.00 0.00 N ATOM 1464 CA PHE A 94 -8.769 8.885 -1.063 1.00 0.00 C ATOM 1465 C PHE A 94 -7.817 9.258 0.069 1.00 0.00 C ATOM 1466 O PHE A 94 -8.201 9.269 1.238 1.00 0.00 O ATOM 1467 CB PHE A 94 -8.849 7.363 -1.197 1.00 0.00 C ATOM 1468 CG PHE A 94 -9.435 6.685 0.008 1.00 0.00 C ATOM 1469 CD1 PHE A 94 -10.807 6.644 0.198 1.00 0.00 C ATOM 1470 CD2 PHE A 94 -8.615 6.088 0.951 1.00 0.00 C ATOM 1471 CE1 PHE A 94 -11.349 6.022 1.307 1.00 0.00 C ATOM 1472 CE2 PHE A 94 -9.151 5.463 2.062 1.00 0.00 C ATOM 1473 CZ PHE A 94 -10.520 5.430 2.239 1.00 0.00 C ATOM 0 H PHE A 94 -8.321 8.836 -3.111 1.00 0.00 H new ATOM 0 HA PHE A 94 -9.759 9.274 -0.824 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -9.450 7.114 -2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -7.848 6.969 -1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.460 7.103 -0.529 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.544 6.111 0.817 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -12.420 5.999 1.444 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -8.500 5.002 2.790 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.942 4.942 3.105 1.00 0.00 H new ATOM 1483 N GLN A 95 -6.573 9.561 -0.288 1.00 0.00 N ATOM 1484 CA GLN A 95 -5.565 9.933 0.698 1.00 0.00 C ATOM 1485 C GLN A 95 -6.113 10.970 1.672 1.00 0.00 C ATOM 1486 O GLN A 95 -5.877 10.889 2.877 1.00 0.00 O ATOM 1487 CB GLN A 95 -4.317 10.478 0.001 1.00 0.00 C ATOM 1488 CG GLN A 95 -3.093 10.534 0.902 1.00 0.00 C ATOM 1489 CD GLN A 95 -2.358 9.211 0.970 1.00 0.00 C ATOM 1490 OE1 GLN A 95 -2.964 8.144 0.860 1.00 0.00 O ATOM 1491 NE2 GLN A 95 -1.044 9.272 1.153 1.00 0.00 N ATOM 0 H GLN A 95 -6.239 9.556 -1.252 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.296 9.040 1.262 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.093 9.854 -0.864 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.528 11.479 -0.374 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.413 11.305 0.538 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.399 10.827 1.906 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.583 10.178 1.239 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.496 8.413 1.207 1.00 0.00 H new ATOM 1500 N GLN A 96 -6.844 11.945 1.141 1.00 0.00 N ATOM 1501 CA GLN A 96 -7.424 12.999 1.965 1.00 0.00 C ATOM 1502 C GLN A 96 -8.587 12.464 2.795 1.00 0.00 C ATOM 1503 O GLN A 96 -8.588 12.573 4.021 1.00 0.00 O ATOM 1504 CB GLN A 96 -7.900 14.158 1.086 1.00 0.00 C ATOM 1505 CG GLN A 96 -8.917 15.059 1.767 1.00 0.00 C ATOM 1506 CD GLN A 96 -8.305 15.903 2.868 1.00 0.00 C ATOM 1507 OE1 GLN A 96 -8.429 15.585 4.051 1.00 0.00 O ATOM 1508 NE2 GLN A 96 -7.640 16.986 2.484 1.00 0.00 N ATOM 0 H GLN A 96 -7.048 12.027 0.145 1.00 0.00 H new ATOM 0 HA GLN A 96 -6.652 13.360 2.645 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.038 14.756 0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.338 13.755 0.173 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.372 15.713 1.024 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.716 14.447 2.185 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.562 17.212 1.492 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.207 17.592 3.181 1.00 0.00 H new ATOM 1517 N TRP A 97 -9.573 11.886 2.119 1.00 0.00 N ATOM 1518 CA TRP A 97 -10.742 11.335 2.794 1.00 0.00 C ATOM 1519 C TRP A 97 -10.336 10.583 4.057 1.00 0.00 C ATOM 1520 O TRP A 97 -11.016 10.658 5.080 1.00 0.00 O ATOM 1521 CB TRP A 97 -11.507 10.402 1.854 1.00 0.00 C ATOM 1522 CG TRP A 97 -12.976 10.342 2.143 1.00 0.00 C ATOM 1523 CD1 TRP A 97 -13.915 11.278 1.813 1.00 0.00 C ATOM 1524 CD2 TRP A 97 -13.675 9.292 2.821 1.00 0.00 C ATOM 1525 NE1 TRP A 97 -15.154 10.873 2.246 1.00 0.00 N ATOM 1526 CE2 TRP A 97 -15.034 9.658 2.867 1.00 0.00 C ATOM 1527 CE3 TRP A 97 -13.284 8.078 3.393 1.00 0.00 C ATOM 1528 CZ2 TRP A 97 -16.002 8.853 3.462 1.00 0.00 C ATOM 1529 CZ3 TRP A 97 -14.246 7.281 3.983 1.00 0.00 C ATOM 1530 CH2 TRP A 97 -15.592 7.670 4.014 1.00 0.00 C ATOM 0 H TRP A 97 -9.586 11.787 1.104 1.00 0.00 H new ATOM 0 HA TRP A 97 -11.391 12.163 3.079 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -11.359 10.733 0.826 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -11.088 9.399 1.929 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -13.713 12.200 1.289 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -16.023 11.393 2.125 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -12.249 7.769 3.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -17.040 9.152 3.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -13.955 6.341 4.428 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -16.320 7.024 4.482 1.00 0.00 H new ATOM 1541 N GLU A 98 -9.223 9.860 3.979 1.00 0.00 N ATOM 1542 CA GLU A 98 -8.729 9.094 5.117 1.00 0.00 C ATOM 1543 C GLU A 98 -8.654 9.965 6.368 1.00 0.00 C ATOM 1544 O GLU A 98 -9.359 9.725 7.347 1.00 0.00 O ATOM 1545 CB GLU A 98 -7.349 8.510 4.806 1.00 0.00 C ATOM 1546 CG GLU A 98 -7.399 7.107 4.224 1.00 0.00 C ATOM 1547 CD GLU A 98 -6.158 6.764 3.422 1.00 0.00 C ATOM 1548 OE1 GLU A 98 -5.458 7.701 2.984 1.00 0.00 O ATOM 1549 OE2 GLU A 98 -5.888 5.560 3.233 1.00 0.00 O ATOM 0 H GLU A 98 -8.647 9.789 3.140 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.428 8.279 5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.835 9.167 4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.756 8.494 5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.515 6.386 5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.277 7.014 3.585 1.00 0.00 H new ATOM 1556 N ALA A 99 -7.795 10.978 6.326 1.00 0.00 N ATOM 1557 CA ALA A 99 -7.628 11.886 7.454 1.00 0.00 C ATOM 1558 C ALA A 99 -8.979 12.313 8.019 1.00 0.00 C ATOM 1559 O ALA A 99 -9.147 12.429 9.233 1.00 0.00 O ATOM 1560 CB ALA A 99 -6.820 13.105 7.035 1.00 0.00 C ATOM 0 H ALA A 99 -7.204 11.191 5.523 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.086 11.357 8.238 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.703 13.774 7.887 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.838 12.788 6.685 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.340 13.627 6.232 1.00 0.00 H new ATOM 1566 N LEU A 100 -9.939 12.546 7.131 1.00 0.00 N ATOM 1567 CA LEU A 100 -11.276 12.962 7.541 1.00 0.00 C ATOM 1568 C LEU A 100 -11.959 11.869 8.357 1.00 0.00 C ATOM 1569 O LEU A 100 -12.633 12.150 9.347 1.00 0.00 O ATOM 1570 CB LEU A 100 -12.124 13.303 6.314 1.00 0.00 C ATOM 1571 CG LEU A 100 -12.051 14.752 5.831 1.00 0.00 C ATOM 1572 CD1 LEU A 100 -10.708 15.029 5.174 1.00 0.00 C ATOM 1573 CD2 LEU A 100 -13.190 15.050 4.866 1.00 0.00 C ATOM 0 H LEU A 100 -9.817 12.454 6.123 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.178 13.850 8.166 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.820 12.652 5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.164 13.068 6.539 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.152 15.408 6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.675 16.065 4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.908 14.856 5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.577 14.365 4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.123 16.085 4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -13.120 14.386 4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -14.144 14.892 5.369 1.00 0.00 H new ATOM 1585 N ASN A 101 -11.779 10.622 7.934 1.00 0.00 N ATOM 1586 CA ASN A 101 -12.376 9.486 8.627 1.00 0.00 C ATOM 1587 C ASN A 101 -11.935 9.446 10.087 1.00 0.00 C ATOM 1588 O ASN A 101 -12.764 9.383 10.995 1.00 0.00 O ATOM 1589 CB ASN A 101 -11.994 8.178 7.931 1.00 0.00 C ATOM 1590 CG ASN A 101 -11.928 7.009 8.894 1.00 0.00 C ATOM 1591 OD1 ASN A 101 -12.672 6.954 9.873 1.00 0.00 O ATOM 1592 ND2 ASN A 101 -11.034 6.066 8.619 1.00 0.00 N ATOM 0 H ASN A 101 -11.225 10.373 7.115 1.00 0.00 H new ATOM 0 HA ASN A 101 -13.459 9.603 8.596 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -12.721 7.960 7.149 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -11.027 8.298 7.443 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -10.944 5.255 9.231 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -10.438 6.153 7.796 1.00 0.00 H new ATOM 1599 N ASP A 102 -10.625 9.483 10.305 1.00 0.00 N ATOM 1600 CA ASP A 102 -10.073 9.453 11.654 1.00 0.00 C ATOM 1601 C ASP A 102 -10.185 10.822 12.318 1.00 0.00 C ATOM 1602 O ASP A 102 -10.232 11.849 11.640 1.00 0.00 O ATOM 1603 CB ASP A 102 -8.611 9.006 11.620 1.00 0.00 C ATOM 1604 CG ASP A 102 -7.655 10.167 11.430 1.00 0.00 C ATOM 1605 OD1 ASP A 102 -7.528 10.991 12.360 1.00 0.00 O ATOM 1606 OD2 ASP A 102 -7.033 10.253 10.350 1.00 0.00 O ATOM 0 H ASP A 102 -9.926 9.534 9.564 1.00 0.00 H new ATOM 0 HA ASP A 102 -10.650 8.737 12.240 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -8.370 8.489 12.549 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -8.472 8.289 10.811 1.00 0.00 H new ATOM 1611 N SER A 103 -10.226 10.829 13.646 1.00 0.00 N ATOM 1612 CA SER A 103 -10.337 12.071 14.401 1.00 0.00 C ATOM 1613 C SER A 103 -9.076 12.916 14.245 1.00 0.00 C ATOM 1614 O SER A 103 -7.965 12.445 14.488 1.00 0.00 O ATOM 1615 CB SER A 103 -10.585 11.773 15.881 1.00 0.00 C ATOM 1616 OG SER A 103 -11.869 11.207 16.079 1.00 0.00 O ATOM 0 H SER A 103 -10.184 9.988 14.222 1.00 0.00 H new ATOM 0 HA SER A 103 -11.182 12.634 14.005 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.821 11.088 16.250 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.496 12.692 16.460 1.00 0.00 H new ATOM 0 HG SER A 103 -12.002 11.024 17.033 1.00 0.00 H new ATOM 1622 N VAL A 104 -9.257 14.168 13.838 1.00 0.00 N ATOM 1623 CA VAL A 104 -8.135 15.080 13.649 1.00 0.00 C ATOM 1624 C VAL A 104 -7.749 15.754 14.961 1.00 0.00 C ATOM 1625 O VAL A 104 -8.041 16.931 15.177 1.00 0.00 O ATOM 1626 CB VAL A 104 -8.462 16.164 12.605 1.00 0.00 C ATOM 1627 CG1 VAL A 104 -8.280 15.621 11.196 1.00 0.00 C ATOM 1628 CG2 VAL A 104 -9.877 16.686 12.805 1.00 0.00 C ATOM 0 H VAL A 104 -10.170 14.574 13.633 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.298 14.482 13.290 1.00 0.00 H new ATOM 0 HB VAL A 104 -7.770 16.995 12.741 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.516 16.401 10.472 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -7.247 15.300 11.060 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.947 14.772 11.044 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.091 17.451 12.059 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.586 15.865 12.697 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -9.969 17.116 13.802 1.00 0.00 H new ATOM 1638 N LYS A 105 -7.091 15.001 15.836 1.00 0.00 N ATOM 1639 CA LYS A 105 -6.662 15.525 17.127 1.00 0.00 C ATOM 1640 C LYS A 105 -6.026 16.902 16.972 1.00 0.00 C ATOM 1641 O LYS A 105 -6.177 17.769 17.834 1.00 0.00 O ATOM 1642 CB LYS A 105 -5.668 14.564 17.785 1.00 0.00 C ATOM 1643 CG LYS A 105 -4.352 14.443 17.037 1.00 0.00 C ATOM 1644 CD LYS A 105 -4.476 13.521 15.836 1.00 0.00 C ATOM 1645 CE LYS A 105 -3.120 12.985 15.403 1.00 0.00 C ATOM 1646 NZ LYS A 105 -3.150 12.463 14.008 1.00 0.00 N ATOM 0 H LYS A 105 -6.843 14.025 15.674 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.542 15.621 17.763 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.468 14.902 18.802 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.125 13.577 17.861 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.028 15.430 16.707 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.583 14.064 17.710 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.136 12.689 16.081 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.937 14.060 15.008 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -2.375 13.777 15.478 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -2.810 12.190 16.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -2.207 12.107 13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.842 11.690 13.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -3.421 13.227 13.357 1.00 0.00 H new ATOM 1660 N THR A 106 -5.314 17.100 15.866 1.00 0.00 N ATOM 1661 CA THR A 106 -4.656 18.372 15.597 1.00 0.00 C ATOM 1662 C THR A 106 -4.079 18.972 16.874 1.00 0.00 C ATOM 1663 O THR A 106 -4.340 20.130 17.200 1.00 0.00 O ATOM 1664 CB THR A 106 -5.628 19.384 14.961 1.00 0.00 C ATOM 1665 OG1 THR A 106 -6.340 18.767 13.883 1.00 0.00 O ATOM 1666 CG2 THR A 106 -4.878 20.604 14.448 1.00 0.00 C ATOM 0 H THR A 106 -5.179 16.394 15.142 1.00 0.00 H new ATOM 0 HA THR A 106 -3.847 18.168 14.896 1.00 0.00 H new ATOM 0 HB THR A 106 -6.335 19.707 15.725 1.00 0.00 H new ATOM 0 HG1 THR A 106 -7.009 18.148 14.244 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.584 21.305 14.003 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.360 21.087 15.276 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.151 20.295 13.696 1.00 0.00 H new ATOM 1674 N SER A 107 -3.292 18.178 17.593 1.00 0.00 N ATOM 1675 CA SER A 107 -2.680 18.631 18.836 1.00 0.00 C ATOM 1676 C SER A 107 -1.163 18.471 18.785 1.00 0.00 C ATOM 1677 O SER A 107 -0.419 19.391 19.122 1.00 0.00 O ATOM 1678 CB SER A 107 -3.247 17.849 20.023 1.00 0.00 C ATOM 1679 OG SER A 107 -4.464 18.418 20.474 1.00 0.00 O ATOM 0 H SER A 107 -3.063 17.218 17.336 1.00 0.00 H new ATOM 0 HA SER A 107 -2.912 19.688 18.962 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.412 16.811 19.733 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.522 17.841 20.837 1.00 0.00 H new ATOM 0 HG SER A 107 -5.152 18.306 19.786 1.00 0.00 H new ATOM 1685 N GLY A 108 -0.713 17.295 18.360 1.00 0.00 N ATOM 1686 CA GLY A 108 0.712 17.034 18.272 1.00 0.00 C ATOM 1687 C GLY A 108 1.201 16.963 16.839 1.00 0.00 C ATOM 1688 O GLY A 108 0.489 16.519 15.939 1.00 0.00 O ATOM 0 H GLY A 108 -1.309 16.518 18.075 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.255 17.818 18.800 1.00 0.00 H new ATOM 0 HA3 GLY A 108 0.938 16.095 18.777 1.00 0.00 H new ATOM 1692 N PRO A 109 2.445 17.411 16.612 1.00 0.00 N ATOM 1693 CA PRO A 109 3.056 17.407 15.279 1.00 0.00 C ATOM 1694 C PRO A 109 3.368 15.998 14.788 1.00 0.00 C ATOM 1695 O PRO A 109 3.866 15.813 13.677 1.00 0.00 O ATOM 1696 CB PRO A 109 4.349 18.202 15.479 1.00 0.00 C ATOM 1697 CG PRO A 109 4.672 18.041 16.925 1.00 0.00 C ATOM 1698 CD PRO A 109 3.351 17.954 17.638 1.00 0.00 C ATOM 0 HA PRO A 109 2.392 17.830 14.525 1.00 0.00 H new ATOM 0 HB2 PRO A 109 5.151 17.818 14.849 1.00 0.00 H new ATOM 0 HB3 PRO A 109 4.213 19.252 15.218 1.00 0.00 H new ATOM 0 HG2 PRO A 109 5.267 17.143 17.094 1.00 0.00 H new ATOM 0 HG3 PRO A 109 5.258 18.885 17.290 1.00 0.00 H new ATOM 0 HD2 PRO A 109 3.407 17.302 18.510 1.00 0.00 H new ATOM 0 HD3 PRO A 109 3.020 18.931 17.991 1.00 0.00 H new ATOM 1706 N SER A 110 3.071 15.006 15.622 1.00 0.00 N ATOM 1707 CA SER A 110 3.323 13.613 15.273 1.00 0.00 C ATOM 1708 C SER A 110 3.062 13.368 13.790 1.00 0.00 C ATOM 1709 O SER A 110 1.938 13.523 13.312 1.00 0.00 O ATOM 1710 CB SER A 110 2.444 12.687 16.116 1.00 0.00 C ATOM 1711 OG SER A 110 2.829 12.721 17.480 1.00 0.00 O ATOM 0 H SER A 110 2.656 15.141 16.544 1.00 0.00 H new ATOM 0 HA SER A 110 4.371 13.397 15.480 1.00 0.00 H new ATOM 0 HB2 SER A 110 1.400 12.986 16.022 1.00 0.00 H new ATOM 0 HB3 SER A 110 2.519 11.667 15.739 1.00 0.00 H new ATOM 0 HG SER A 110 2.251 12.122 17.998 1.00 0.00 H new ATOM 1717 N SER A 111 4.110 12.985 13.067 1.00 0.00 N ATOM 1718 CA SER A 111 3.996 12.723 11.637 1.00 0.00 C ATOM 1719 C SER A 111 3.183 11.458 11.379 1.00 0.00 C ATOM 1720 O SER A 111 2.729 10.798 12.313 1.00 0.00 O ATOM 1721 CB SER A 111 5.385 12.586 11.010 1.00 0.00 C ATOM 1722 OG SER A 111 6.051 11.431 11.492 1.00 0.00 O ATOM 0 H SER A 111 5.047 12.849 13.448 1.00 0.00 H new ATOM 0 HA SER A 111 3.479 13.566 11.179 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.294 12.531 9.925 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.978 13.472 11.235 1.00 0.00 H new ATOM 0 HG SER A 111 6.935 11.365 11.075 1.00 0.00 H new ATOM 1728 N GLY A 112 3.004 11.126 10.104 1.00 0.00 N ATOM 1729 CA GLY A 112 2.246 9.942 9.745 1.00 0.00 C ATOM 1730 C GLY A 112 2.833 9.218 8.550 1.00 0.00 C ATOM 1731 O GLY A 112 2.373 9.395 7.422 1.00 0.00 O ATOM 0 H GLY A 112 3.371 11.656 9.313 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.213 9.263 10.597 1.00 0.00 H new ATOM 0 HA3 GLY A 112 1.217 10.226 9.524 1.00 0.00 H new TER 1735 GLY A 112