USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1047 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 114 THR OG1 : rot -52:sc= -0.0943 USER MOD Set 1.2: A 125 THR OG1 : rot 65:sc= 0.778 USER MOD Set 2.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 91 THR OG1 : rot 180:sc= -0.0896 USER MOD Set 2.3: A 92 HIS : no HE2:sc= -7.49! C(o=-7.6!,f=-9.7!) USER MOD Set 3.1: A 71 HIS : no HD1:sc= -5.98! K(o=-6.1!,f=-7.2) USER MOD Set 3.2: A 90 SER OG : rot 145:sc= 0.19 USER MOD Set 3.3: A 94 THR OG1 : rot 180:sc= -0.271 USER MOD Set 4.1: A 89 ASN :FLIP amide:sc= 0.0256 F(o=-4.7,f=-2.9) USER MOD Set 4.2: A 104 HIS : no HE2:sc= -2.9! C(o=-2.9!,f=-4.7!) USER MOD Set 5.1: A 77 HIS :FLIP no HE2:sc= -9.94! C(o=-17!,f=-13!) USER MOD Set 5.2: A 79 HIS : no HE2:sc= -2.86 K(o=-13,f=-14!) USER MOD Set 6.1: A 64 HIS :FLIP no HD1:sc= -0.825 F(o=-4.4!,f=0.16) USER MOD Set 6.2: A 120 SER OG : rot -23:sc= 0.981 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.00743 (180deg=-0.18) USER MOD Single : A 6 ASN : amide:sc= -0.074 K(o=-0.074,f=-1.4) USER MOD Single : A 7 SER OG : rot 180:sc= -0.125 USER MOD Single : A 9 SER OG : rot 180:sc= 0.118 USER MOD Single : A 10 SER OG : rot -74:sc= 0.45 USER MOD Single : A 16 CYS SG : rot -52:sc= -0.776 USER MOD Single : A 18 THR OG1 : rot -47:sc= 0.297 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS :FLIP no HD1:sc= -1.91 F(o=-4.2!,f=-1.9) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -148:sc= -2.92! (180deg=-4.36!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.24) USER MOD Single : A 58 CYS SG : rot 127:sc= -4.48! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 CYS SG : rot 0:sc= -6.66! USER MOD Single : A 68 SER OG : rot 180:sc= -0.271 USER MOD Single : A 76 TYR OH : rot -15:sc= -1.58 USER MOD Single : A 78 LYS NZ :NH3+ -136:sc= 0.144 (180deg=-4.13!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HE2:sc= -3.19! C(o=-3.2!,f=-3.6!) USER MOD Single : A 105 LYS NZ :NH3+ -150:sc= 0.92 (180deg=-0.829!) USER MOD Single : A 107 GLN :FLIP amide:sc= -1.77 F(o=-3.2!,f=-1.8) USER MOD Single : A 108 GLN :FLIP amide:sc= -0.24 F(o=-1.2,f=-0.24) USER MOD Single : A 113 SER OG : rot 81:sc= -3.66! USER MOD Single : A 116 SER OG : rot 44:sc= 0.323! USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 30:sc= -0.782 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 THR OG1 : rot -11:sc= 0.152! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.689 -8.686 2.255 1.00 31.42 N ATOM 2 CA MET A 1 16.453 -8.129 2.778 1.00 4.35 C ATOM 3 C MET A 1 15.539 -7.661 1.644 1.00 5.52 C ATOM 4 O MET A 1 16.012 -7.129 0.641 1.00 41.41 O ATOM 5 CB MET A 1 16.775 -6.947 3.696 1.00 33.41 C ATOM 6 CG MET A 1 17.368 -7.429 5.022 1.00 44.43 C ATOM 7 SD MET A 1 17.840 -6.028 6.023 1.00 33.44 S ATOM 8 CE MET A 1 17.393 -6.639 7.640 1.00 72.40 C ATOM 0 H1 MET A 1 17.731 -9.702 2.472 1.00 31.42 H new ATOM 0 H2 MET A 1 17.722 -8.550 1.224 1.00 31.42 H new ATOM 0 H3 MET A 1 18.500 -8.205 2.694 1.00 31.42 H new ATOM 0 HA MET A 1 15.934 -8.906 3.339 1.00 4.35 H new ATOM 0 HB2 MET A 1 17.479 -6.278 3.200 1.00 33.41 H new ATOM 0 HB3 MET A 1 15.869 -6.372 3.886 1.00 33.41 H new ATOM 0 HG2 MET A 1 16.639 -8.039 5.556 1.00 44.43 H new ATOM 0 HG3 MET A 1 18.236 -8.061 4.834 1.00 44.43 H new ATOM 0 HE1 MET A 1 17.623 -5.883 8.391 1.00 72.40 H new ATOM 0 HE2 MET A 1 16.326 -6.861 7.663 1.00 72.40 H new ATOM 0 HE3 MET A 1 17.957 -7.547 7.855 1.00 72.40 H new ATOM 18 N ALA A 2 14.247 -7.875 1.841 1.00 21.45 N ATOM 19 CA ALA A 2 13.263 -7.482 0.848 1.00 72.14 C ATOM 20 C ALA A 2 13.576 -8.179 -0.478 1.00 20.12 C ATOM 21 O ALA A 2 13.376 -7.606 -1.547 1.00 51.54 O ATOM 22 CB ALA A 2 13.251 -5.958 0.716 1.00 12.22 C ATOM 0 H ALA A 2 13.859 -8.316 2.675 1.00 21.45 H new ATOM 0 HA ALA A 2 12.264 -7.791 1.155 1.00 72.14 H new ATOM 0 HB1 ALA A 2 12.512 -5.663 -0.029 1.00 12.22 H new ATOM 0 HB2 ALA A 2 12.995 -5.512 1.677 1.00 12.22 H new ATOM 0 HB3 ALA A 2 14.237 -5.612 0.406 1.00 12.22 H new ATOM 28 N ALA A 3 14.062 -9.406 -0.364 1.00 21.31 N ATOM 29 CA ALA A 3 14.405 -10.188 -1.540 1.00 40.30 C ATOM 30 C ALA A 3 13.169 -10.329 -2.431 1.00 63.10 C ATOM 31 O ALA A 3 12.045 -10.127 -1.976 1.00 12.44 O ATOM 32 CB ALA A 3 14.969 -11.542 -1.107 1.00 24.14 C ATOM 0 H ALA A 3 14.227 -9.878 0.525 1.00 21.31 H new ATOM 0 HA ALA A 3 15.177 -9.686 -2.123 1.00 40.30 H new ATOM 0 HB1 ALA A 3 15.226 -12.128 -1.989 1.00 24.14 H new ATOM 0 HB2 ALA A 3 15.862 -11.387 -0.501 1.00 24.14 H new ATOM 0 HB3 ALA A 3 14.222 -12.077 -0.521 1.00 24.14 H new ATOM 38 N ALA A 4 13.420 -10.676 -3.685 1.00 11.30 N ATOM 39 CA ALA A 4 12.342 -10.847 -4.644 1.00 13.40 C ATOM 40 C ALA A 4 12.248 -12.321 -5.043 1.00 5.23 C ATOM 41 O ALA A 4 12.536 -12.678 -6.184 1.00 24.31 O ATOM 42 CB ALA A 4 12.578 -9.931 -5.847 1.00 22.12 C ATOM 0 H ALA A 4 14.354 -10.843 -4.059 1.00 11.30 H new ATOM 0 HA ALA A 4 11.387 -10.564 -4.201 1.00 13.40 H new ATOM 0 HB1 ALA A 4 11.769 -10.059 -6.566 1.00 22.12 H new ATOM 0 HB2 ALA A 4 12.606 -8.893 -5.514 1.00 22.12 H new ATOM 0 HB3 ALA A 4 13.527 -10.187 -6.318 1.00 22.12 H new ATOM 48 N VAL A 5 11.845 -13.137 -4.080 1.00 1.20 N ATOM 49 CA VAL A 5 11.710 -14.564 -4.316 1.00 64.23 C ATOM 50 C VAL A 5 10.452 -14.823 -5.147 1.00 14.34 C ATOM 51 O VAL A 5 10.333 -15.862 -5.794 1.00 44.44 O ATOM 52 CB VAL A 5 11.713 -15.318 -2.985 1.00 4.34 C ATOM 53 CG1 VAL A 5 13.092 -15.256 -2.323 1.00 74.21 C ATOM 54 CG2 VAL A 5 10.631 -14.779 -2.047 1.00 53.14 C ATOM 0 H VAL A 5 11.608 -12.837 -3.135 1.00 1.20 H new ATOM 0 HA VAL A 5 12.560 -14.938 -4.887 1.00 64.23 H new ATOM 0 HB VAL A 5 11.487 -16.364 -3.192 1.00 4.34 H new ATOM 0 HG11 VAL A 5 13.067 -15.800 -1.379 1.00 74.21 H new ATOM 0 HG12 VAL A 5 13.833 -15.708 -2.982 1.00 74.21 H new ATOM 0 HG13 VAL A 5 13.359 -14.216 -2.136 1.00 74.21 H new ATOM 0 HG21 VAL A 5 10.655 -15.332 -1.108 1.00 53.14 H new ATOM 0 HG22 VAL A 5 10.813 -13.723 -1.850 1.00 53.14 H new ATOM 0 HG23 VAL A 5 9.653 -14.898 -2.513 1.00 53.14 H new ATOM 64 N ASN A 6 9.543 -13.860 -5.100 1.00 52.33 N ATOM 65 CA ASN A 6 8.297 -13.970 -5.840 1.00 61.02 C ATOM 66 C ASN A 6 8.361 -13.069 -7.075 1.00 60.22 C ATOM 67 O ASN A 6 7.503 -12.209 -7.266 1.00 34.13 O ATOM 68 CB ASN A 6 7.109 -13.520 -4.988 1.00 73.30 C ATOM 69 CG ASN A 6 5.784 -13.922 -5.640 1.00 12.44 C ATOM 70 OD1 ASN A 6 5.724 -14.770 -6.514 1.00 21.51 O ATOM 71 ND2 ASN A 6 4.728 -13.266 -5.167 1.00 11.34 N ATOM 0 H ASN A 6 9.644 -13.000 -4.561 1.00 52.33 H new ATOM 0 HA ASN A 6 8.164 -15.014 -6.122 1.00 61.02 H new ATOM 0 HB2 ASN A 6 7.180 -13.964 -3.995 1.00 73.30 H new ATOM 0 HB3 ASN A 6 7.140 -12.438 -4.856 1.00 73.30 H new ATOM 0 HD21 ASN A 6 3.798 -13.462 -5.538 1.00 11.34 H new ATOM 0 HD22 ASN A 6 4.848 -12.567 -4.434 1.00 11.34 H new ATOM 78 N SER A 7 9.387 -13.298 -7.882 1.00 54.43 N ATOM 79 CA SER A 7 9.574 -12.517 -9.094 1.00 32.42 C ATOM 80 C SER A 7 9.970 -13.436 -10.252 1.00 14.23 C ATOM 81 O SER A 7 10.123 -14.642 -10.067 1.00 74.35 O ATOM 82 CB SER A 7 10.633 -11.432 -8.892 1.00 13.25 C ATOM 83 OG SER A 7 10.777 -10.605 -10.044 1.00 31.44 O ATOM 0 H SER A 7 10.097 -14.012 -7.721 1.00 54.43 H new ATOM 0 HA SER A 7 8.631 -12.026 -9.334 1.00 32.42 H new ATOM 0 HB2 SER A 7 10.362 -10.816 -8.035 1.00 13.25 H new ATOM 0 HB3 SER A 7 11.590 -11.899 -8.659 1.00 13.25 H new ATOM 0 HG SER A 7 11.461 -9.924 -9.874 1.00 31.44 H new ATOM 89 N GLY A 8 10.124 -12.829 -11.420 1.00 30.54 N ATOM 90 CA GLY A 8 10.499 -13.578 -12.607 1.00 50.44 C ATOM 91 C GLY A 8 10.610 -12.656 -13.824 1.00 11.13 C ATOM 92 O GLY A 8 10.509 -11.437 -13.694 1.00 44.24 O ATOM 0 H GLY A 8 9.996 -11.828 -11.569 1.00 30.54 H new ATOM 0 HA2 GLY A 8 11.452 -14.080 -12.439 1.00 50.44 H new ATOM 0 HA3 GLY A 8 9.759 -14.354 -12.801 1.00 50.44 H new ATOM 96 N SER A 9 10.816 -13.274 -14.978 1.00 13.35 N ATOM 97 CA SER A 9 10.941 -12.524 -16.216 1.00 23.01 C ATOM 98 C SER A 9 9.843 -11.462 -16.299 1.00 33.44 C ATOM 99 O SER A 9 8.659 -11.779 -16.189 1.00 41.13 O ATOM 100 CB SER A 9 10.875 -13.452 -17.430 1.00 44.15 C ATOM 101 OG SER A 9 10.718 -14.817 -17.052 1.00 5.32 O ATOM 0 H SER A 9 10.899 -14.285 -15.081 1.00 13.35 H new ATOM 0 HA SER A 9 11.913 -12.032 -16.221 1.00 23.01 H new ATOM 0 HB2 SER A 9 10.043 -13.155 -18.068 1.00 44.15 H new ATOM 0 HB3 SER A 9 11.785 -13.342 -18.020 1.00 44.15 H new ATOM 0 HG SER A 9 10.678 -15.377 -17.856 1.00 5.32 H new ATOM 107 N SER A 10 10.274 -10.224 -16.491 1.00 73.41 N ATOM 108 CA SER A 10 9.342 -9.114 -16.590 1.00 35.22 C ATOM 109 C SER A 10 10.095 -7.826 -16.928 1.00 24.44 C ATOM 110 O SER A 10 11.283 -7.703 -16.633 1.00 2.41 O ATOM 111 CB SER A 10 8.551 -8.942 -15.291 1.00 43.52 C ATOM 112 OG SER A 10 9.404 -8.694 -14.176 1.00 52.54 O ATOM 0 H SER A 10 11.257 -9.965 -16.581 1.00 73.41 H new ATOM 0 HA SER A 10 8.634 -9.332 -17.389 1.00 35.22 H new ATOM 0 HB2 SER A 10 7.848 -8.116 -15.401 1.00 43.52 H new ATOM 0 HB3 SER A 10 7.961 -9.839 -15.104 1.00 43.52 H new ATOM 0 HG SER A 10 9.864 -9.522 -13.926 1.00 52.54 H new ATOM 118 N LEU A 11 9.374 -6.900 -17.541 1.00 40.13 N ATOM 119 CA LEU A 11 9.960 -5.626 -17.922 1.00 52.04 C ATOM 120 C LEU A 11 10.557 -4.954 -16.685 1.00 4.33 C ATOM 121 O LEU A 11 10.154 -5.245 -15.560 1.00 13.21 O ATOM 122 CB LEU A 11 8.932 -4.762 -18.656 1.00 2.20 C ATOM 123 CG LEU A 11 8.663 -5.133 -20.116 1.00 21.34 C ATOM 124 CD1 LEU A 11 9.967 -5.206 -20.912 1.00 63.41 C ATOM 125 CD2 LEU A 11 7.859 -6.431 -20.212 1.00 22.53 C ATOM 0 H LEU A 11 8.389 -7.006 -17.784 1.00 40.13 H new ATOM 0 HA LEU A 11 10.777 -5.778 -18.628 1.00 52.04 H new ATOM 0 HB2 LEU A 11 7.990 -4.811 -18.110 1.00 2.20 H new ATOM 0 HB3 LEU A 11 9.267 -3.725 -18.621 1.00 2.20 H new ATOM 0 HG LEU A 11 8.057 -4.345 -20.563 1.00 21.34 H new ATOM 0 HD11 LEU A 11 9.748 -5.471 -21.946 1.00 63.41 H new ATOM 0 HD12 LEU A 11 10.465 -4.237 -20.884 1.00 63.41 H new ATOM 0 HD13 LEU A 11 10.619 -5.962 -20.474 1.00 63.41 H new ATOM 0 HD21 LEU A 11 7.681 -6.672 -21.260 1.00 22.53 H new ATOM 0 HD22 LEU A 11 8.418 -7.241 -19.743 1.00 22.53 H new ATOM 0 HD23 LEU A 11 6.904 -6.306 -19.702 1.00 22.53 H new ATOM 137 N PRO A 12 11.535 -4.043 -16.941 1.00 31.54 N ATOM 138 CA PRO A 12 12.192 -3.327 -15.861 1.00 21.45 C ATOM 139 C PRO A 12 11.280 -2.239 -15.289 1.00 65.45 C ATOM 140 O PRO A 12 10.068 -2.270 -15.493 1.00 72.52 O ATOM 141 CB PRO A 12 13.467 -2.772 -16.475 1.00 32.41 C ATOM 142 CG PRO A 12 13.251 -2.801 -17.979 1.00 40.53 C ATOM 143 CD PRO A 12 12.039 -3.673 -18.260 1.00 34.20 C ATOM 0 HA PRO A 12 12.422 -3.968 -15.010 1.00 21.45 H new ATOM 0 HB2 PRO A 12 13.658 -1.757 -16.127 1.00 32.41 H new ATOM 0 HB3 PRO A 12 14.331 -3.374 -16.193 1.00 32.41 H new ATOM 0 HG2 PRO A 12 13.092 -1.793 -18.361 1.00 40.53 H new ATOM 0 HG3 PRO A 12 14.132 -3.198 -18.483 1.00 40.53 H new ATOM 0 HD2 PRO A 12 11.287 -3.132 -18.834 1.00 34.20 H new ATOM 0 HD3 PRO A 12 12.311 -4.554 -18.841 1.00 34.20 H new ATOM 151 N LEU A 13 11.899 -1.303 -14.586 1.00 4.13 N ATOM 152 CA LEU A 13 11.159 -0.207 -13.984 1.00 31.02 C ATOM 153 C LEU A 13 11.565 1.106 -14.655 1.00 53.54 C ATOM 154 O LEU A 13 10.912 2.132 -14.466 1.00 62.14 O ATOM 155 CB LEU A 13 11.345 -0.205 -12.465 1.00 44.42 C ATOM 156 CG LEU A 13 12.666 -0.782 -11.951 1.00 12.33 C ATOM 157 CD1 LEU A 13 12.725 -2.295 -12.170 1.00 2.43 C ATOM 158 CD2 LEU A 13 13.861 -0.064 -12.581 1.00 54.24 C ATOM 0 H LEU A 13 12.905 -1.281 -14.420 1.00 4.13 H new ATOM 0 HA LEU A 13 10.089 -0.333 -14.151 1.00 31.02 H new ATOM 0 HB2 LEU A 13 11.257 0.822 -12.109 1.00 44.42 H new ATOM 0 HB3 LEU A 13 10.526 -0.769 -12.018 1.00 44.42 H new ATOM 0 HG LEU A 13 12.718 -0.610 -10.876 1.00 12.33 H new ATOM 0 HD11 LEU A 13 13.674 -2.680 -11.796 1.00 2.43 H new ATOM 0 HD12 LEU A 13 11.904 -2.772 -11.635 1.00 2.43 H new ATOM 0 HD13 LEU A 13 12.640 -2.512 -13.235 1.00 2.43 H new ATOM 0 HD21 LEU A 13 14.787 -0.494 -12.198 1.00 54.24 H new ATOM 0 HD22 LEU A 13 13.827 -0.182 -13.664 1.00 54.24 H new ATOM 0 HD23 LEU A 13 13.822 0.996 -12.330 1.00 54.24 H new ATOM 170 N PHE A 14 12.640 1.033 -15.426 1.00 22.44 N ATOM 171 CA PHE A 14 13.141 2.203 -16.126 1.00 53.03 C ATOM 172 C PHE A 14 14.232 1.818 -17.127 1.00 60.12 C ATOM 173 O PHE A 14 14.937 0.829 -16.932 1.00 71.14 O ATOM 174 CB PHE A 14 13.739 3.134 -15.070 1.00 45.33 C ATOM 175 CG PHE A 14 14.722 4.163 -15.633 1.00 64.12 C ATOM 176 CD1 PHE A 14 14.298 5.086 -16.537 1.00 74.44 C ATOM 177 CD2 PHE A 14 16.021 4.154 -15.229 1.00 41.43 C ATOM 178 CE1 PHE A 14 15.210 6.040 -17.060 1.00 12.33 C ATOM 179 CE2 PHE A 14 16.933 5.109 -15.752 1.00 23.04 C ATOM 180 CZ PHE A 14 16.508 6.032 -16.656 1.00 25.22 C ATOM 0 H PHE A 14 13.178 0.181 -15.581 1.00 22.44 H new ATOM 0 HA PHE A 14 12.332 2.681 -16.678 1.00 53.03 H new ATOM 0 HB2 PHE A 14 12.930 3.659 -14.563 1.00 45.33 H new ATOM 0 HB3 PHE A 14 14.249 2.533 -14.317 1.00 45.33 H new ATOM 0 HD1 PHE A 14 13.267 5.093 -16.857 1.00 74.44 H new ATOM 0 HD2 PHE A 14 16.359 3.421 -14.511 1.00 41.43 H new ATOM 0 HE1 PHE A 14 14.873 6.772 -17.779 1.00 12.33 H new ATOM 0 HE2 PHE A 14 17.964 5.102 -15.432 1.00 23.04 H new ATOM 0 HZ PHE A 14 17.202 6.758 -17.053 1.00 25.22 H new ATOM 190 N ASP A 15 14.337 2.619 -18.177 1.00 2.51 N ATOM 191 CA ASP A 15 15.331 2.375 -19.209 1.00 34.03 C ATOM 192 C ASP A 15 16.573 3.222 -18.925 1.00 70.23 C ATOM 193 O ASP A 15 16.513 4.450 -18.962 1.00 30.14 O ATOM 194 CB ASP A 15 14.798 2.764 -20.589 1.00 61.12 C ATOM 195 CG ASP A 15 14.857 4.259 -20.907 1.00 52.41 C ATOM 196 OD1 ASP A 15 13.976 5.033 -20.503 1.00 43.30 O ATOM 197 OD2 ASP A 15 15.873 4.628 -21.611 1.00 23.41 O ATOM 0 H ASP A 15 13.750 3.438 -18.336 1.00 2.51 H new ATOM 0 HA ASP A 15 15.571 1.312 -19.202 1.00 34.03 H new ATOM 0 HB2 ASP A 15 15.366 2.224 -21.347 1.00 61.12 H new ATOM 0 HB3 ASP A 15 13.763 2.431 -20.669 1.00 61.12 H new ATOM 203 N CYS A 16 17.670 2.532 -18.650 1.00 31.14 N ATOM 204 CA CYS A 16 18.925 3.205 -18.360 1.00 54.32 C ATOM 205 C CYS A 16 19.648 3.463 -19.684 1.00 12.15 C ATOM 206 O CYS A 16 19.672 2.601 -20.560 1.00 60.41 O ATOM 207 CB CYS A 16 19.787 2.400 -17.386 1.00 10.31 C ATOM 208 SG CYS A 16 21.512 3.009 -17.427 1.00 1.41 S ATOM 0 H CYS A 16 17.716 1.513 -18.622 1.00 31.14 H new ATOM 0 HA CYS A 16 18.725 4.155 -17.865 1.00 54.32 H new ATOM 0 HB2 CYS A 16 19.386 2.486 -16.376 1.00 10.31 H new ATOM 0 HB3 CYS A 16 19.759 1.343 -17.651 1.00 10.31 H new ATOM 0 HG CYS A 16 21.931 3.044 -18.657 1.00 1.41 H new ATOM 214 N PRO A 17 20.235 4.685 -19.789 1.00 55.53 N ATOM 215 CA PRO A 17 20.956 5.068 -20.991 1.00 24.31 C ATOM 216 C PRO A 17 22.317 4.371 -21.059 1.00 33.54 C ATOM 217 O PRO A 17 22.544 3.377 -20.370 1.00 72.33 O ATOM 218 CB PRO A 17 21.068 6.582 -20.918 1.00 71.20 C ATOM 219 CG PRO A 17 20.819 6.949 -19.464 1.00 74.41 C ATOM 220 CD PRO A 17 20.226 5.732 -18.771 1.00 43.25 C ATOM 0 HA PRO A 17 20.443 4.764 -21.904 1.00 24.31 H new ATOM 0 HB2 PRO A 17 22.053 6.917 -21.242 1.00 71.20 H new ATOM 0 HB3 PRO A 17 20.338 7.060 -21.572 1.00 71.20 H new ATOM 0 HG2 PRO A 17 21.749 7.248 -18.981 1.00 74.41 H new ATOM 0 HG3 PRO A 17 20.138 7.797 -19.396 1.00 74.41 H new ATOM 0 HD2 PRO A 17 20.817 5.444 -17.902 1.00 43.25 H new ATOM 0 HD3 PRO A 17 19.215 5.931 -18.417 1.00 43.25 H new ATOM 228 N THR A 18 23.186 4.919 -21.894 1.00 41.22 N ATOM 229 CA THR A 18 24.518 4.363 -22.061 1.00 30.44 C ATOM 230 C THR A 18 25.580 5.408 -21.714 1.00 31.25 C ATOM 231 O THR A 18 26.776 5.139 -21.813 1.00 42.30 O ATOM 232 CB THR A 18 24.633 3.831 -23.491 1.00 10.23 C ATOM 233 OG1 THR A 18 25.768 2.970 -23.451 1.00 11.40 O ATOM 234 CG2 THR A 18 25.026 4.921 -24.490 1.00 65.44 C ATOM 0 H THR A 18 22.994 5.743 -22.463 1.00 41.22 H new ATOM 0 HA THR A 18 24.688 3.533 -21.376 1.00 30.44 H new ATOM 0 HB THR A 18 23.683 3.388 -23.792 1.00 10.23 H new ATOM 0 HG1 THR A 18 26.506 3.423 -22.992 1.00 11.40 H new ATOM 0 HG21 THR A 18 25.094 4.491 -25.489 1.00 65.44 H new ATOM 0 HG22 THR A 18 24.273 5.709 -24.484 1.00 65.44 H new ATOM 0 HG23 THR A 18 25.992 5.341 -24.209 1.00 65.44 H new ATOM 242 N TRP A 19 25.104 6.578 -21.313 1.00 62.33 N ATOM 243 CA TRP A 19 25.998 7.665 -20.951 1.00 32.32 C ATOM 244 C TRP A 19 26.177 7.643 -19.432 1.00 22.45 C ATOM 245 O TRP A 19 26.983 8.396 -18.887 1.00 60.30 O ATOM 246 CB TRP A 19 25.472 9.004 -21.471 1.00 73.33 C ATOM 247 CG TRP A 19 23.946 9.087 -21.543 1.00 13.30 C ATOM 248 CD1 TRP A 19 23.142 8.672 -22.532 1.00 22.24 C ATOM 249 CD2 TRP A 19 23.067 9.640 -20.540 1.00 71.23 C ATOM 250 NE1 TRP A 19 21.815 8.915 -22.241 1.00 2.11 N ATOM 251 CE2 TRP A 19 21.768 9.522 -20.991 1.00 40.34 C ATOM 252 CE3 TRP A 19 23.360 10.219 -19.293 1.00 52.44 C ATOM 253 CZ2 TRP A 19 20.659 9.962 -20.259 1.00 2.34 C ATOM 254 CZ3 TRP A 19 22.241 10.654 -18.573 1.00 53.21 C ATOM 255 CH2 TRP A 19 20.927 10.543 -19.013 1.00 51.33 C ATOM 0 H TRP A 19 24.111 6.797 -21.231 1.00 62.33 H new ATOM 0 HA TRP A 19 26.974 7.534 -21.419 1.00 32.32 H new ATOM 0 HB2 TRP A 19 25.839 9.802 -20.826 1.00 73.33 H new ATOM 0 HB3 TRP A 19 25.883 9.183 -22.465 1.00 73.33 H new ATOM 0 HD1 TRP A 19 23.489 8.206 -23.442 1.00 22.24 H new ATOM 0 HE1 TRP A 19 21.016 8.691 -22.834 1.00 2.11 H new ATOM 0 HE3 TRP A 19 24.368 10.320 -18.920 1.00 52.44 H new ATOM 0 HZ2 TRP A 19 19.652 9.859 -20.634 1.00 2.34 H new ATOM 0 HZ3 TRP A 19 22.411 11.108 -17.608 1.00 53.21 H new ATOM 0 HH2 TRP A 19 20.116 10.903 -18.397 1.00 51.33 H new ATOM 266 N ALA A 20 25.413 6.771 -18.790 1.00 53.11 N ATOM 267 CA ALA A 20 25.477 6.641 -17.344 1.00 41.13 C ATOM 268 C ALA A 20 26.766 5.912 -16.959 1.00 41.40 C ATOM 269 O ALA A 20 27.209 5.010 -17.668 1.00 42.43 O ATOM 270 CB ALA A 20 24.226 5.919 -16.840 1.00 60.34 C ATOM 0 H ALA A 20 24.746 6.147 -19.245 1.00 53.11 H new ATOM 0 HA ALA A 20 25.499 7.623 -16.871 1.00 41.13 H new ATOM 0 HB1 ALA A 20 24.274 5.822 -15.755 1.00 60.34 H new ATOM 0 HB2 ALA A 20 23.340 6.492 -17.114 1.00 60.34 H new ATOM 0 HB3 ALA A 20 24.171 4.928 -17.291 1.00 60.34 H new ATOM 276 N GLY A 21 27.332 6.331 -15.836 1.00 74.33 N ATOM 277 CA GLY A 21 28.561 5.729 -15.348 1.00 51.12 C ATOM 278 C GLY A 21 28.465 5.423 -13.852 1.00 42.11 C ATOM 279 O GLY A 21 27.622 4.634 -13.429 1.00 12.11 O ATOM 0 H GLY A 21 26.962 7.080 -15.251 1.00 74.33 H new ATOM 0 HA2 GLY A 21 28.764 4.810 -15.898 1.00 51.12 H new ATOM 0 HA3 GLY A 21 29.398 6.402 -15.532 1.00 51.12 H new ATOM 283 N LYS A 22 29.342 6.064 -13.092 1.00 74.44 N ATOM 284 CA LYS A 22 29.367 5.870 -11.653 1.00 34.34 C ATOM 285 C LYS A 22 29.727 7.191 -10.971 1.00 11.14 C ATOM 286 O LYS A 22 30.819 7.720 -11.172 1.00 21.15 O ATOM 287 CB LYS A 22 30.298 4.713 -11.284 1.00 10.33 C ATOM 288 CG LYS A 22 30.849 4.884 -9.866 1.00 71.34 C ATOM 289 CD LYS A 22 32.240 5.519 -9.892 1.00 4.32 C ATOM 290 CE LYS A 22 33.332 4.448 -9.903 1.00 64.25 C ATOM 291 NZ LYS A 22 34.596 4.990 -9.355 1.00 60.44 N ATOM 0 H LYS A 22 30.040 6.718 -13.447 1.00 74.44 H new ATOM 0 HA LYS A 22 28.380 5.582 -11.290 1.00 34.34 H new ATOM 0 HB2 LYS A 22 29.758 3.769 -11.357 1.00 10.33 H new ATOM 0 HB3 LYS A 22 31.123 4.664 -11.995 1.00 10.33 H new ATOM 0 HG2 LYS A 22 30.172 5.507 -9.281 1.00 71.34 H new ATOM 0 HG3 LYS A 22 30.897 3.914 -9.371 1.00 71.34 H new ATOM 0 HD2 LYS A 22 32.338 6.152 -10.774 1.00 4.32 H new ATOM 0 HD3 LYS A 22 32.366 6.163 -9.022 1.00 4.32 H new ATOM 0 HE2 LYS A 22 33.012 3.588 -9.314 1.00 64.25 H new ATOM 0 HE3 LYS A 22 33.492 4.094 -10.921 1.00 64.25 H new ATOM 0 HZ1 LYS A 22 35.326 4.250 -9.370 1.00 60.44 H new ATOM 0 HZ2 LYS A 22 34.908 5.796 -9.934 1.00 60.44 H new ATOM 0 HZ3 LYS A 22 34.443 5.306 -8.376 1.00 60.44 H new ATOM 304 N PRO A 23 28.763 7.700 -10.157 1.00 70.41 N ATOM 305 CA PRO A 23 28.968 8.949 -9.444 1.00 53.13 C ATOM 306 C PRO A 23 29.915 8.755 -8.258 1.00 52.14 C ATOM 307 O PRO A 23 29.895 7.711 -7.608 1.00 0.41 O ATOM 308 CB PRO A 23 27.576 9.396 -9.026 1.00 44.25 C ATOM 309 CG PRO A 23 26.698 8.159 -9.112 1.00 32.33 C ATOM 310 CD PRO A 23 27.457 7.101 -9.895 1.00 64.23 C ATOM 0 HA PRO A 23 29.449 9.710 -10.059 1.00 53.13 H new ATOM 0 HB2 PRO A 23 27.583 9.800 -8.014 1.00 44.25 H new ATOM 0 HB3 PRO A 23 27.206 10.184 -9.681 1.00 44.25 H new ATOM 0 HG2 PRO A 23 26.455 7.794 -8.114 1.00 32.33 H new ATOM 0 HG3 PRO A 23 25.754 8.394 -9.604 1.00 32.33 H new ATOM 0 HD2 PRO A 23 27.552 6.178 -9.324 1.00 64.23 H new ATOM 0 HD3 PRO A 23 26.943 6.850 -10.823 1.00 64.23 H new ATOM 318 N PRO A 24 30.743 9.804 -8.007 1.00 0.02 N ATOM 319 CA PRO A 24 31.696 9.759 -6.911 1.00 14.24 C ATOM 320 C PRO A 24 30.992 9.947 -5.565 1.00 23.12 C ATOM 321 O PRO A 24 29.876 10.460 -5.510 1.00 72.00 O ATOM 322 CB PRO A 24 32.698 10.860 -7.215 1.00 43.14 C ATOM 323 CG PRO A 24 32.016 11.780 -8.215 1.00 63.12 C ATOM 324 CD PRO A 24 30.794 11.056 -8.756 1.00 63.13 C ATOM 0 HA PRO A 24 32.197 8.794 -6.829 1.00 14.24 H new ATOM 0 HB2 PRO A 24 32.970 11.401 -6.309 1.00 43.14 H new ATOM 0 HB3 PRO A 24 33.618 10.447 -7.628 1.00 43.14 H new ATOM 0 HG2 PRO A 24 31.725 12.715 -7.737 1.00 63.12 H new ATOM 0 HG3 PRO A 24 32.698 12.036 -9.026 1.00 63.12 H new ATOM 0 HD2 PRO A 24 29.888 11.643 -8.608 1.00 63.13 H new ATOM 0 HD3 PRO A 24 30.884 10.873 -9.827 1.00 63.13 H new ATOM 332 N PRO A 25 31.693 9.510 -4.484 1.00 71.22 N ATOM 333 CA PRO A 25 31.148 9.625 -3.142 1.00 73.43 C ATOM 334 C PRO A 25 31.215 11.070 -2.645 1.00 21.12 C ATOM 335 O PRO A 25 32.020 11.393 -1.773 1.00 10.14 O ATOM 336 CB PRO A 25 31.973 8.667 -2.299 1.00 24.11 C ATOM 337 CG PRO A 25 33.243 8.401 -3.092 1.00 54.21 C ATOM 338 CD PRO A 25 33.018 8.897 -4.511 1.00 72.02 C ATOM 0 HA PRO A 25 30.090 9.366 -3.094 1.00 73.43 H new ATOM 0 HB2 PRO A 25 32.204 9.102 -1.327 1.00 24.11 H new ATOM 0 HB3 PRO A 25 31.428 7.742 -2.113 1.00 24.11 H new ATOM 0 HG2 PRO A 25 34.091 8.914 -2.638 1.00 54.21 H new ATOM 0 HG3 PRO A 25 33.477 7.336 -3.092 1.00 54.21 H new ATOM 0 HD2 PRO A 25 33.782 9.617 -4.804 1.00 72.02 H new ATOM 0 HD3 PRO A 25 33.061 8.077 -5.228 1.00 72.02 H new ATOM 346 N GLY A 26 30.359 11.901 -3.221 1.00 31.11 N ATOM 347 CA GLY A 26 30.311 13.304 -2.847 1.00 0.11 C ATOM 348 C GLY A 26 29.100 13.998 -3.474 1.00 34.45 C ATOM 349 O GLY A 26 29.143 15.193 -3.759 1.00 44.23 O ATOM 0 H GLY A 26 29.693 11.629 -3.944 1.00 31.11 H new ATOM 0 HA2 GLY A 26 30.264 13.393 -1.762 1.00 0.11 H new ATOM 0 HA3 GLY A 26 31.226 13.801 -3.168 1.00 0.11 H new ATOM 353 N LEU A 27 28.047 13.217 -3.669 1.00 12.42 N ATOM 354 CA LEU A 27 26.826 13.742 -4.256 1.00 74.53 C ATOM 355 C LEU A 27 25.634 13.347 -3.382 1.00 32.13 C ATOM 356 O LEU A 27 25.735 12.434 -2.564 1.00 31.13 O ATOM 357 CB LEU A 27 26.695 13.291 -5.713 1.00 4.13 C ATOM 358 CG LEU A 27 27.922 13.521 -6.598 1.00 51.31 C ATOM 359 CD1 LEU A 27 27.837 12.689 -7.879 1.00 42.32 C ATOM 360 CD2 LEU A 27 28.113 15.010 -6.893 1.00 42.33 C ATOM 0 H LEU A 27 28.014 12.226 -3.431 1.00 12.42 H new ATOM 0 HA LEU A 27 26.855 14.831 -4.284 1.00 74.53 H new ATOM 0 HB2 LEU A 27 26.458 12.227 -5.724 1.00 4.13 H new ATOM 0 HB3 LEU A 27 25.847 13.811 -6.159 1.00 4.13 H new ATOM 0 HG LEU A 27 28.804 13.185 -6.054 1.00 51.31 H new ATOM 0 HD11 LEU A 27 28.721 12.871 -8.490 1.00 42.32 H new ATOM 0 HD12 LEU A 27 27.784 11.631 -7.623 1.00 42.32 H new ATOM 0 HD13 LEU A 27 26.945 12.972 -8.438 1.00 42.32 H new ATOM 0 HD21 LEU A 27 28.992 15.146 -7.524 1.00 42.33 H new ATOM 0 HD22 LEU A 27 27.233 15.395 -7.409 1.00 42.33 H new ATOM 0 HD23 LEU A 27 28.251 15.552 -5.957 1.00 42.33 H new ATOM 372 N HIS A 28 24.532 14.055 -3.584 1.00 61.42 N ATOM 373 CA HIS A 28 23.322 13.790 -2.824 1.00 63.33 C ATOM 374 C HIS A 28 22.192 14.689 -3.329 1.00 20.00 C ATOM 375 O HIS A 28 22.427 15.836 -3.704 1.00 43.44 O ATOM 376 CB HIS A 28 23.578 13.945 -1.324 1.00 24.31 C ATOM 377 CG HIS A 28 23.740 15.377 -0.873 1.00 63.03 C ATOM 378 ND1 HIS A 28 22.950 16.157 -0.082 1.00 34.21 N flip ATOM 379 CD2 HIS A 28 24.819 16.162 -1.243 1.00 14.03 C flip ATOM 380 CE1 HIS A 28 23.515 17.353 0.028 1.00 74.10 C flip ATOM 381 NE2 HIS A 28 24.674 17.358 -0.692 1.00 70.13 N flip ATOM 0 H HIS A 28 24.452 14.812 -4.263 1.00 61.42 H new ATOM 0 HA HIS A 28 23.012 12.756 -2.975 1.00 63.33 H new ATOM 0 HB2 HIS A 28 22.751 13.494 -0.776 1.00 24.31 H new ATOM 0 HB3 HIS A 28 24.477 13.388 -1.060 1.00 24.31 H new ATOM 0 HD2 HIS A 28 25.639 15.852 -1.873 1.00 14.03 H new ATOM 0 HE1 HIS A 28 23.122 18.185 0.594 1.00 74.10 H new ATOM 0 HE2 HIS A 28 25.316 18.145 -0.789 1.00 70.13 H new ATOM 389 N LEU A 29 20.989 14.134 -3.322 1.00 22.44 N ATOM 390 CA LEU A 29 19.822 14.871 -3.774 1.00 33.11 C ATOM 391 C LEU A 29 19.251 15.680 -2.607 1.00 62.13 C ATOM 392 O LEU A 29 19.819 15.687 -1.516 1.00 53.11 O ATOM 393 CB LEU A 29 18.808 13.925 -4.420 1.00 73.22 C ATOM 394 CG LEU A 29 18.689 14.008 -5.943 1.00 54.24 C ATOM 395 CD1 LEU A 29 17.507 13.177 -6.447 1.00 62.12 C ATOM 396 CD2 LEU A 29 18.605 15.464 -6.408 1.00 31.41 C ATOM 0 H LEU A 29 20.798 13.182 -3.010 1.00 22.44 H new ATOM 0 HA LEU A 29 20.099 15.583 -4.551 1.00 33.11 H new ATOM 0 HB2 LEU A 29 19.073 12.902 -4.151 1.00 73.22 H new ATOM 0 HB3 LEU A 29 17.828 14.125 -3.987 1.00 73.22 H new ATOM 0 HG LEU A 29 19.592 13.582 -6.380 1.00 54.24 H new ATOM 0 HD11 LEU A 29 17.445 13.253 -7.533 1.00 62.12 H new ATOM 0 HD12 LEU A 29 17.649 12.134 -6.164 1.00 62.12 H new ATOM 0 HD13 LEU A 29 16.584 13.551 -6.004 1.00 62.12 H new ATOM 0 HD21 LEU A 29 18.521 15.495 -7.494 1.00 31.41 H new ATOM 0 HD22 LEU A 29 17.730 15.938 -5.963 1.00 31.41 H new ATOM 0 HD23 LEU A 29 19.504 15.997 -6.098 1.00 31.41 H new ATOM 408 N ASP A 30 18.136 16.342 -2.877 1.00 74.44 N ATOM 409 CA ASP A 30 17.482 17.152 -1.864 1.00 21.03 C ATOM 410 C ASP A 30 16.078 17.525 -2.342 1.00 74.15 C ATOM 411 O ASP A 30 15.775 17.421 -3.530 1.00 74.40 O ATOM 412 CB ASP A 30 18.255 18.448 -1.612 1.00 22.13 C ATOM 413 CG ASP A 30 19.777 18.297 -1.581 1.00 45.22 C ATOM 414 OD1 ASP A 30 20.411 18.010 -2.607 1.00 45.15 O ATOM 415 OD2 ASP A 30 20.321 18.490 -0.427 1.00 44.15 O ATOM 0 H ASP A 30 17.669 16.334 -3.784 1.00 74.44 H new ATOM 0 HA ASP A 30 17.441 16.571 -0.943 1.00 21.03 H new ATOM 0 HB2 ASP A 30 17.992 19.167 -2.388 1.00 22.13 H new ATOM 0 HB3 ASP A 30 17.927 18.870 -0.662 1.00 22.13 H new ATOM 421 N VAL A 31 15.257 17.952 -1.393 1.00 65.25 N ATOM 422 CA VAL A 31 13.892 18.341 -1.703 1.00 62.24 C ATOM 423 C VAL A 31 13.572 19.664 -1.005 1.00 23.22 C ATOM 424 O VAL A 31 14.046 19.916 0.102 1.00 44.12 O ATOM 425 CB VAL A 31 12.928 17.215 -1.323 1.00 2.34 C ATOM 426 CG1 VAL A 31 11.478 17.620 -1.596 1.00 21.41 C ATOM 427 CG2 VAL A 31 13.283 15.919 -2.053 1.00 61.23 C ATOM 0 H VAL A 31 15.511 18.037 -0.409 1.00 65.25 H new ATOM 0 HA VAL A 31 13.775 18.503 -2.775 1.00 62.24 H new ATOM 0 HB VAL A 31 13.029 17.034 -0.253 1.00 2.34 H new ATOM 0 HG11 VAL A 31 10.813 16.802 -1.317 1.00 21.41 H new ATOM 0 HG12 VAL A 31 11.231 18.505 -1.009 1.00 21.41 H new ATOM 0 HG13 VAL A 31 11.356 17.842 -2.656 1.00 21.41 H new ATOM 0 HG21 VAL A 31 12.582 15.135 -1.765 1.00 61.23 H new ATOM 0 HG22 VAL A 31 13.225 16.080 -3.129 1.00 61.23 H new ATOM 0 HG23 VAL A 31 14.296 15.617 -1.786 1.00 61.23 H new ATOM 437 N VAL A 32 12.770 20.474 -1.680 1.00 23.10 N ATOM 438 CA VAL A 32 12.382 21.765 -1.138 1.00 34.21 C ATOM 439 C VAL A 32 10.922 22.047 -1.501 1.00 22.13 C ATOM 440 O VAL A 32 10.534 21.930 -2.662 1.00 12.00 O ATOM 441 CB VAL A 32 13.341 22.850 -1.631 1.00 73.04 C ATOM 442 CG1 VAL A 32 13.365 24.039 -0.669 1.00 53.33 C ATOM 443 CG2 VAL A 32 14.747 22.285 -1.840 1.00 61.11 C ATOM 0 H VAL A 32 12.378 20.261 -2.597 1.00 23.10 H new ATOM 0 HA VAL A 32 12.452 21.759 -0.050 1.00 34.21 H new ATOM 0 HB VAL A 32 12.977 23.206 -2.595 1.00 73.04 H new ATOM 0 HG11 VAL A 32 14.055 24.796 -1.043 1.00 53.33 H new ATOM 0 HG12 VAL A 32 12.365 24.465 -0.593 1.00 53.33 H new ATOM 0 HG13 VAL A 32 13.693 23.704 0.315 1.00 53.33 H new ATOM 0 HG21 VAL A 32 15.409 23.077 -2.191 1.00 61.11 H new ATOM 0 HG22 VAL A 32 15.123 21.888 -0.897 1.00 61.11 H new ATOM 0 HG23 VAL A 32 14.712 21.487 -2.581 1.00 61.11 H new ATOM 453 N LYS A 33 10.154 22.413 -0.486 1.00 34.25 N ATOM 454 CA LYS A 33 8.745 22.712 -0.683 1.00 5.50 C ATOM 455 C LYS A 33 8.611 24.049 -1.415 1.00 13.43 C ATOM 456 O LYS A 33 7.548 24.365 -1.948 1.00 64.45 O ATOM 457 CB LYS A 33 7.995 22.662 0.649 1.00 1.34 C ATOM 458 CG LYS A 33 8.523 23.724 1.616 1.00 11.23 C ATOM 459 CD LYS A 33 7.678 24.998 1.547 1.00 73.35 C ATOM 460 CE LYS A 33 6.371 24.832 2.325 1.00 22.12 C ATOM 461 NZ LYS A 33 5.349 25.780 1.830 1.00 53.42 N ATOM 0 H LYS A 33 10.480 22.509 0.476 1.00 34.25 H new ATOM 0 HA LYS A 33 8.278 21.954 -1.313 1.00 5.50 H new ATOM 0 HB2 LYS A 33 6.930 22.819 0.477 1.00 1.34 H new ATOM 0 HB3 LYS A 33 8.104 21.673 1.095 1.00 1.34 H new ATOM 0 HG2 LYS A 33 8.513 23.332 2.633 1.00 11.23 H new ATOM 0 HG3 LYS A 33 9.560 23.958 1.374 1.00 11.23 H new ATOM 0 HD2 LYS A 33 8.244 25.836 1.954 1.00 73.35 H new ATOM 0 HD3 LYS A 33 7.458 25.237 0.506 1.00 73.35 H new ATOM 0 HE2 LYS A 33 6.007 23.810 2.222 1.00 22.12 H new ATOM 0 HE3 LYS A 33 6.549 25.002 3.387 1.00 22.12 H new ATOM 0 HZ1 LYS A 33 4.468 25.654 2.369 1.00 53.42 H new ATOM 0 HZ2 LYS A 33 5.692 26.754 1.950 1.00 53.42 H new ATOM 0 HZ3 LYS A 33 5.167 25.599 0.822 1.00 53.42 H new ATOM 474 N GLY A 34 9.703 24.800 -1.416 1.00 32.41 N ATOM 475 CA GLY A 34 9.720 26.095 -2.073 1.00 51.33 C ATOM 476 C GLY A 34 10.892 26.946 -1.579 1.00 33.35 C ATOM 477 O GLY A 34 11.742 27.355 -2.367 1.00 4.41 O ATOM 0 H GLY A 34 10.582 24.536 -0.972 1.00 32.41 H new ATOM 0 HA2 GLY A 34 9.795 25.958 -3.152 1.00 51.33 H new ATOM 0 HA3 GLY A 34 8.782 26.616 -1.882 1.00 51.33 H new ATOM 481 N ASP A 35 10.898 27.186 -0.276 1.00 24.14 N ATOM 482 CA ASP A 35 11.952 27.980 0.334 1.00 53.14 C ATOM 483 C ASP A 35 12.387 27.323 1.645 1.00 72.53 C ATOM 484 O ASP A 35 12.939 27.985 2.522 1.00 33.42 O ATOM 485 CB ASP A 35 11.461 29.393 0.654 1.00 53.33 C ATOM 486 CG ASP A 35 12.562 30.399 0.994 1.00 44.12 C ATOM 487 OD1 ASP A 35 12.344 31.353 1.755 1.00 35.14 O ATOM 488 OD2 ASP A 35 13.702 30.170 0.433 1.00 15.23 O ATOM 0 H ASP A 35 10.190 26.845 0.374 1.00 24.14 H new ATOM 0 HA ASP A 35 12.782 28.037 -0.371 1.00 53.14 H new ATOM 0 HB2 ASP A 35 10.898 29.768 -0.201 1.00 53.33 H new ATOM 0 HB3 ASP A 35 10.767 29.339 1.493 1.00 53.33 H new ATOM 494 N LYS A 36 12.122 26.028 1.737 1.00 72.44 N ATOM 495 CA LYS A 36 12.479 25.273 2.926 1.00 41.12 C ATOM 496 C LYS A 36 12.843 23.842 2.526 1.00 31.32 C ATOM 497 O LYS A 36 12.081 23.176 1.826 1.00 44.42 O ATOM 498 CB LYS A 36 11.362 25.356 3.968 1.00 23.43 C ATOM 499 CG LYS A 36 11.368 24.125 4.877 1.00 63.41 C ATOM 500 CD LYS A 36 10.435 24.321 6.073 1.00 12.30 C ATOM 501 CE LYS A 36 9.067 23.687 5.811 1.00 1.42 C ATOM 502 NZ LYS A 36 8.299 23.574 7.071 1.00 32.20 N ATOM 0 H LYS A 36 11.664 25.482 1.007 1.00 72.44 H new ATOM 0 HA LYS A 36 13.360 25.704 3.402 1.00 41.12 H new ATOM 0 HB2 LYS A 36 11.486 26.257 4.569 1.00 23.43 H new ATOM 0 HB3 LYS A 36 10.398 25.438 3.467 1.00 23.43 H new ATOM 0 HG2 LYS A 36 11.057 23.248 4.309 1.00 63.41 H new ATOM 0 HG3 LYS A 36 12.382 23.934 5.230 1.00 63.41 H new ATOM 0 HD2 LYS A 36 10.881 23.877 6.963 1.00 12.30 H new ATOM 0 HD3 LYS A 36 10.314 25.385 6.274 1.00 12.30 H new ATOM 0 HE2 LYS A 36 8.512 24.290 5.092 1.00 1.42 H new ATOM 0 HE3 LYS A 36 9.196 22.700 5.367 1.00 1.42 H new ATOM 0 HZ1 LYS A 36 7.373 23.142 6.876 1.00 32.20 H new ATOM 0 HZ2 LYS A 36 8.823 22.980 7.745 1.00 32.20 H new ATOM 0 HZ3 LYS A 36 8.160 24.521 7.479 1.00 32.20 H new ATOM 515 N LEU A 37 14.007 23.410 2.989 1.00 72.21 N ATOM 516 CA LEU A 37 14.481 22.069 2.688 1.00 12.55 C ATOM 517 C LEU A 37 13.581 21.047 3.385 1.00 20.14 C ATOM 518 O LEU A 37 13.465 21.049 4.610 1.00 44.10 O ATOM 519 CB LEU A 37 15.962 21.932 3.048 1.00 34.30 C ATOM 520 CG LEU A 37 16.697 20.746 2.420 1.00 72.10 C ATOM 521 CD1 LEU A 37 16.100 19.419 2.892 1.00 73.44 C ATOM 522 CD2 LEU A 37 16.713 20.857 0.894 1.00 24.11 C ATOM 0 H LEU A 37 14.636 23.964 3.570 1.00 72.21 H new ATOM 0 HA LEU A 37 14.417 21.873 1.618 1.00 12.55 H new ATOM 0 HB2 LEU A 37 16.474 22.848 2.754 1.00 34.30 H new ATOM 0 HB3 LEU A 37 16.047 21.854 4.132 1.00 34.30 H new ATOM 0 HG LEU A 37 17.734 20.770 2.755 1.00 72.10 H new ATOM 0 HD11 LEU A 37 16.641 18.592 2.431 1.00 73.44 H new ATOM 0 HD12 LEU A 37 16.184 19.347 3.976 1.00 73.44 H new ATOM 0 HD13 LEU A 37 15.049 19.370 2.605 1.00 73.44 H new ATOM 0 HD21 LEU A 37 17.241 20.002 0.473 1.00 24.11 H new ATOM 0 HD22 LEU A 37 15.689 20.872 0.520 1.00 24.11 H new ATOM 0 HD23 LEU A 37 17.220 21.777 0.601 1.00 24.11 H new ATOM 534 N ILE A 38 12.967 20.197 2.575 1.00 12.52 N ATOM 535 CA ILE A 38 12.081 19.172 3.099 1.00 71.54 C ATOM 536 C ILE A 38 12.916 18.001 3.621 1.00 10.05 C ATOM 537 O ILE A 38 13.050 17.821 4.831 1.00 62.12 O ATOM 538 CB ILE A 38 11.047 18.768 2.045 1.00 25.41 C ATOM 539 CG1 ILE A 38 10.203 19.969 1.616 1.00 3.41 C ATOM 540 CG2 ILE A 38 10.182 17.608 2.542 1.00 24.43 C ATOM 541 CD1 ILE A 38 9.314 20.453 2.764 1.00 63.32 C ATOM 0 H ILE A 38 13.066 20.197 1.560 1.00 12.52 H new ATOM 0 HA ILE A 38 11.509 19.558 3.943 1.00 71.54 H new ATOM 0 HB ILE A 38 11.580 18.417 1.161 1.00 25.41 H new ATOM 0 HG12 ILE A 38 10.856 20.779 1.290 1.00 3.41 H new ATOM 0 HG13 ILE A 38 9.583 19.696 0.762 1.00 3.41 H new ATOM 0 HG21 ILE A 38 9.456 17.341 1.774 1.00 24.43 H new ATOM 0 HG22 ILE A 38 10.816 16.748 2.757 1.00 24.43 H new ATOM 0 HG23 ILE A 38 9.657 17.908 3.449 1.00 24.43 H new ATOM 0 HD11 ILE A 38 8.724 21.308 2.432 1.00 63.32 H new ATOM 0 HD12 ILE A 38 8.646 19.648 3.071 1.00 63.32 H new ATOM 0 HD13 ILE A 38 9.938 20.748 3.608 1.00 63.32 H new ATOM 553 N GLU A 39 13.456 17.236 2.684 1.00 34.53 N ATOM 554 CA GLU A 39 14.274 16.087 3.035 1.00 11.34 C ATOM 555 C GLU A 39 15.541 16.057 2.179 1.00 44.10 C ATOM 556 O GLU A 39 15.780 16.966 1.385 1.00 70.42 O ATOM 557 CB GLU A 39 13.483 14.786 2.890 1.00 22.44 C ATOM 558 CG GLU A 39 13.421 14.342 1.427 1.00 22.35 C ATOM 559 CD GLU A 39 12.320 13.301 1.217 1.00 54.05 C ATOM 560 OE1 GLU A 39 11.683 12.867 2.188 1.00 72.22 O ATOM 561 OE2 GLU A 39 12.134 12.945 -0.009 1.00 73.33 O ATOM 0 H GLU A 39 13.343 17.389 1.682 1.00 34.53 H new ATOM 0 HA GLU A 39 14.568 16.180 4.081 1.00 11.34 H new ATOM 0 HB2 GLU A 39 13.948 14.005 3.491 1.00 22.44 H new ATOM 0 HB3 GLU A 39 12.473 14.926 3.274 1.00 22.44 H new ATOM 0 HG2 GLU A 39 13.236 15.206 0.788 1.00 22.35 H new ATOM 0 HG3 GLU A 39 14.383 13.925 1.129 1.00 22.35 H new ATOM 569 N LYS A 40 16.321 15.003 2.369 1.00 30.15 N ATOM 570 CA LYS A 40 17.558 14.842 1.624 1.00 1.54 C ATOM 571 C LYS A 40 17.658 13.403 1.115 1.00 44.44 C ATOM 572 O LYS A 40 17.070 12.493 1.696 1.00 63.21 O ATOM 573 CB LYS A 40 18.755 15.280 2.472 1.00 74.51 C ATOM 574 CG LYS A 40 19.787 16.022 1.621 1.00 11.43 C ATOM 575 CD LYS A 40 20.987 16.452 2.467 1.00 25.41 C ATOM 576 CE LYS A 40 20.532 17.097 3.777 1.00 23.05 C ATOM 577 NZ LYS A 40 21.692 17.650 4.513 1.00 34.41 N ATOM 0 H LYS A 40 16.120 14.251 3.029 1.00 30.15 H new ATOM 0 HA LYS A 40 17.563 15.491 0.748 1.00 1.54 H new ATOM 0 HB2 LYS A 40 18.415 15.925 3.282 1.00 74.51 H new ATOM 0 HB3 LYS A 40 19.218 14.407 2.933 1.00 74.51 H new ATOM 0 HG2 LYS A 40 20.123 15.379 0.807 1.00 11.43 H new ATOM 0 HG3 LYS A 40 19.326 16.898 1.165 1.00 11.43 H new ATOM 0 HD2 LYS A 40 21.613 15.586 2.682 1.00 25.41 H new ATOM 0 HD3 LYS A 40 21.599 17.157 1.904 1.00 25.41 H new ATOM 0 HE2 LYS A 40 19.814 17.890 3.569 1.00 23.05 H new ATOM 0 HE3 LYS A 40 20.020 16.359 4.394 1.00 23.05 H new ATOM 0 HZ1 LYS A 40 21.366 18.084 5.400 1.00 34.41 H new ATOM 0 HZ2 LYS A 40 22.363 16.885 4.728 1.00 34.41 H new ATOM 0 HZ3 LYS A 40 22.163 18.370 3.928 1.00 34.41 H new ATOM 590 N LEU A 41 18.408 13.243 0.034 1.00 52.22 N ATOM 591 CA LEU A 41 18.593 11.930 -0.561 1.00 13.32 C ATOM 592 C LEU A 41 20.023 11.812 -1.090 1.00 62.03 C ATOM 593 O LEU A 41 20.722 12.815 -1.232 1.00 34.45 O ATOM 594 CB LEU A 41 17.521 11.666 -1.620 1.00 51.23 C ATOM 595 CG LEU A 41 16.100 12.106 -1.261 1.00 61.21 C ATOM 596 CD1 LEU A 41 15.234 12.241 -2.515 1.00 64.34 C ATOM 597 CD2 LEU A 41 15.477 11.159 -0.233 1.00 54.34 C ATOM 0 H LEU A 41 18.894 14.001 -0.445 1.00 52.22 H new ATOM 0 HA LEU A 41 18.465 11.150 0.189 1.00 13.32 H new ATOM 0 HB2 LEU A 41 17.815 12.172 -2.540 1.00 51.23 H new ATOM 0 HB3 LEU A 41 17.506 10.597 -1.834 1.00 51.23 H new ATOM 0 HG LEU A 41 16.154 13.092 -0.800 1.00 61.21 H new ATOM 0 HD11 LEU A 41 14.229 12.555 -2.231 1.00 64.34 H new ATOM 0 HD12 LEU A 41 15.672 12.984 -3.181 1.00 64.34 H new ATOM 0 HD13 LEU A 41 15.183 11.280 -3.027 1.00 64.34 H new ATOM 0 HD21 LEU A 41 14.467 11.494 0.005 1.00 54.34 H new ATOM 0 HD22 LEU A 41 15.437 10.150 -0.645 1.00 54.34 H new ATOM 0 HD23 LEU A 41 16.082 11.157 0.674 1.00 54.34 H new ATOM 609 N ILE A 42 20.417 10.578 -1.369 1.00 32.11 N ATOM 610 CA ILE A 42 21.752 10.315 -1.880 1.00 14.52 C ATOM 611 C ILE A 42 21.656 9.880 -3.343 1.00 63.14 C ATOM 612 O ILE A 42 20.675 9.258 -3.747 1.00 20.51 O ATOM 613 CB ILE A 42 22.480 9.310 -0.985 1.00 54.21 C ATOM 614 CG1 ILE A 42 22.886 9.952 0.343 1.00 33.12 C ATOM 615 CG2 ILE A 42 23.676 8.694 -1.713 1.00 72.04 C ATOM 616 CD1 ILE A 42 21.670 10.537 1.064 1.00 55.44 C ATOM 0 H ILE A 42 19.835 9.749 -1.251 1.00 32.11 H new ATOM 0 HA ILE A 42 22.355 11.222 -1.856 1.00 14.52 H new ATOM 0 HB ILE A 42 21.791 8.498 -0.753 1.00 54.21 H new ATOM 0 HG12 ILE A 42 23.367 9.208 0.978 1.00 33.12 H new ATOM 0 HG13 ILE A 42 23.619 10.738 0.162 1.00 33.12 H new ATOM 0 HG21 ILE A 42 24.176 7.983 -1.055 1.00 72.04 H new ATOM 0 HG22 ILE A 42 23.330 8.178 -2.609 1.00 72.04 H new ATOM 0 HG23 ILE A 42 24.375 9.481 -1.995 1.00 72.04 H new ATOM 0 HD11 ILE A 42 21.987 10.987 2.005 1.00 55.44 H new ATOM 0 HD12 ILE A 42 21.206 11.297 0.436 1.00 55.44 H new ATOM 0 HD13 ILE A 42 20.950 9.744 1.265 1.00 55.44 H new ATOM 628 N ILE A 43 22.689 10.224 -4.098 1.00 40.44 N ATOM 629 CA ILE A 43 22.734 9.877 -5.509 1.00 21.34 C ATOM 630 C ILE A 43 24.162 9.477 -5.886 1.00 1.54 C ATOM 631 O ILE A 43 24.496 9.393 -7.067 1.00 34.25 O ATOM 632 CB ILE A 43 22.169 11.016 -6.360 1.00 30.25 C ATOM 633 CG1 ILE A 43 22.783 12.358 -5.956 1.00 52.12 C ATOM 634 CG2 ILE A 43 20.641 11.042 -6.295 1.00 75.02 C ATOM 635 CD1 ILE A 43 23.794 12.835 -7.001 1.00 73.31 C ATOM 0 H ILE A 43 23.501 10.739 -3.760 1.00 40.44 H new ATOM 0 HA ILE A 43 22.098 9.015 -5.710 1.00 21.34 H new ATOM 0 HB ILE A 43 22.444 10.836 -7.399 1.00 30.25 H new ATOM 0 HG12 ILE A 43 21.995 13.102 -5.841 1.00 52.12 H new ATOM 0 HG13 ILE A 43 23.274 12.261 -4.988 1.00 52.12 H new ATOM 0 HG21 ILE A 43 20.265 11.861 -6.908 1.00 75.02 H new ATOM 0 HG22 ILE A 43 20.245 10.097 -6.668 1.00 75.02 H new ATOM 0 HG23 ILE A 43 20.323 11.186 -5.262 1.00 75.02 H new ATOM 0 HD11 ILE A 43 24.216 13.791 -6.690 1.00 73.31 H new ATOM 0 HD12 ILE A 43 24.593 12.100 -7.096 1.00 73.31 H new ATOM 0 HD13 ILE A 43 23.295 12.955 -7.962 1.00 73.31 H new ATOM 647 N ASP A 44 24.967 9.243 -4.860 1.00 22.32 N ATOM 648 CA ASP A 44 26.352 8.854 -5.069 1.00 13.43 C ATOM 649 C ASP A 44 26.514 7.368 -4.747 1.00 30.53 C ATOM 650 O ASP A 44 27.444 6.979 -4.042 1.00 2.32 O ATOM 651 CB ASP A 44 27.289 9.642 -4.151 1.00 70.10 C ATOM 652 CG ASP A 44 27.058 9.428 -2.654 1.00 11.53 C ATOM 653 OD1 ASP A 44 26.394 10.237 -1.988 1.00 45.52 O ATOM 654 OD2 ASP A 44 27.599 8.364 -2.165 1.00 2.52 O ATOM 0 H ASP A 44 24.687 9.315 -3.882 1.00 22.32 H new ATOM 0 HA ASP A 44 26.607 9.060 -6.108 1.00 13.43 H new ATOM 0 HB2 ASP A 44 28.318 9.370 -4.387 1.00 70.10 H new ATOM 0 HB3 ASP A 44 27.181 10.704 -4.372 1.00 70.10 H new ATOM 660 N GLU A 45 25.594 6.576 -5.279 1.00 24.24 N ATOM 661 CA GLU A 45 25.624 5.140 -5.057 1.00 12.13 C ATOM 662 C GLU A 45 25.426 4.395 -6.378 1.00 61.41 C ATOM 663 O GLU A 45 26.164 3.459 -6.684 1.00 3.34 O ATOM 664 CB GLU A 45 24.570 4.723 -4.029 1.00 24.53 C ATOM 665 CG GLU A 45 24.198 5.894 -3.118 1.00 3.30 C ATOM 666 CD GLU A 45 23.795 5.401 -1.727 1.00 21.11 C ATOM 667 OE1 GLU A 45 24.640 4.876 -0.987 1.00 32.44 O ATOM 668 OE2 GLU A 45 22.554 5.580 -1.423 1.00 43.52 O ATOM 0 H GLU A 45 24.824 6.901 -5.863 1.00 24.24 H new ATOM 0 HA GLU A 45 26.602 4.874 -4.655 1.00 12.13 H new ATOM 0 HB2 GLU A 45 23.680 4.360 -4.543 1.00 24.53 H new ATOM 0 HB3 GLU A 45 24.950 3.897 -3.428 1.00 24.53 H new ATOM 0 HG2 GLU A 45 25.043 6.577 -3.035 1.00 3.30 H new ATOM 0 HG3 GLU A 45 23.376 6.457 -3.560 1.00 3.30 H new ATOM 676 N LYS A 46 24.426 4.837 -7.126 1.00 62.24 N ATOM 677 CA LYS A 46 24.122 4.223 -8.408 1.00 2.11 C ATOM 678 C LYS A 46 24.377 5.236 -9.526 1.00 75.54 C ATOM 679 O LYS A 46 24.910 6.316 -9.281 1.00 2.21 O ATOM 680 CB LYS A 46 22.702 3.653 -8.406 1.00 3.05 C ATOM 681 CG LYS A 46 21.726 4.615 -7.726 1.00 2.41 C ATOM 682 CD LYS A 46 21.596 5.917 -8.520 1.00 65.44 C ATOM 683 CE LYS A 46 22.261 7.079 -7.780 1.00 53.34 C ATOM 684 NZ LYS A 46 21.656 8.367 -8.189 1.00 61.13 N ATOM 0 H LYS A 46 23.816 5.613 -6.869 1.00 62.24 H new ATOM 0 HA LYS A 46 24.781 3.374 -8.590 1.00 2.11 H new ATOM 0 HB2 LYS A 46 22.380 3.466 -9.430 1.00 3.05 H new ATOM 0 HB3 LYS A 46 22.692 2.694 -7.889 1.00 3.05 H new ATOM 0 HG2 LYS A 46 20.748 4.142 -7.634 1.00 2.41 H new ATOM 0 HG3 LYS A 46 22.071 4.834 -6.715 1.00 2.41 H new ATOM 0 HD2 LYS A 46 22.055 5.796 -9.501 1.00 65.44 H new ATOM 0 HD3 LYS A 46 20.543 6.142 -8.686 1.00 65.44 H new ATOM 0 HE2 LYS A 46 22.151 6.944 -6.704 1.00 53.34 H new ATOM 0 HE3 LYS A 46 23.330 7.089 -7.992 1.00 53.34 H new ATOM 0 HZ1 LYS A 46 22.376 9.116 -8.152 1.00 61.13 H new ATOM 0 HZ2 LYS A 46 21.290 8.286 -9.159 1.00 61.13 H new ATOM 0 HZ3 LYS A 46 20.876 8.605 -7.544 1.00 61.13 H new ATOM 697 N LYS A 47 23.983 4.850 -10.731 1.00 74.41 N ATOM 698 CA LYS A 47 24.161 5.710 -11.888 1.00 43.23 C ATOM 699 C LYS A 47 22.792 6.066 -12.470 1.00 73.44 C ATOM 700 O LYS A 47 22.697 6.866 -13.399 1.00 51.33 O ATOM 701 CB LYS A 47 25.109 5.060 -12.898 1.00 51.03 C ATOM 702 CG LYS A 47 24.328 4.407 -14.041 1.00 23.55 C ATOM 703 CD LYS A 47 23.709 3.081 -13.593 1.00 62.34 C ATOM 704 CE LYS A 47 24.785 2.010 -13.402 1.00 43.11 C ATOM 705 NZ LYS A 47 24.945 1.209 -14.636 1.00 75.13 N ATOM 0 H LYS A 47 23.541 3.953 -10.931 1.00 74.41 H new ATOM 0 HA LYS A 47 24.636 6.647 -11.597 1.00 43.23 H new ATOM 0 HB2 LYS A 47 25.789 5.811 -13.300 1.00 51.03 H new ATOM 0 HB3 LYS A 47 25.722 4.311 -12.397 1.00 51.03 H new ATOM 0 HG2 LYS A 47 23.543 5.082 -14.383 1.00 23.55 H new ATOM 0 HG3 LYS A 47 24.992 4.235 -14.888 1.00 23.55 H new ATOM 0 HD2 LYS A 47 23.166 3.226 -12.659 1.00 62.34 H new ATOM 0 HD3 LYS A 47 22.984 2.745 -14.335 1.00 62.34 H new ATOM 0 HE2 LYS A 47 25.733 2.481 -13.142 1.00 43.11 H new ATOM 0 HE3 LYS A 47 24.514 1.358 -12.571 1.00 43.11 H new ATOM 0 HZ1 LYS A 47 25.679 0.487 -14.489 1.00 75.13 H new ATOM 0 HZ2 LYS A 47 24.044 0.744 -14.867 1.00 75.13 H new ATOM 0 HZ3 LYS A 47 25.225 1.832 -15.420 1.00 75.13 H new ATOM 718 N TYR A 48 21.765 5.453 -11.900 1.00 72.31 N ATOM 719 CA TYR A 48 20.405 5.694 -12.351 1.00 13.42 C ATOM 720 C TYR A 48 19.391 5.272 -11.286 1.00 12.25 C ATOM 721 O TYR A 48 19.406 4.131 -10.826 1.00 44.22 O ATOM 722 CB TYR A 48 20.212 4.824 -13.595 1.00 12.54 C ATOM 723 CG TYR A 48 19.453 3.522 -13.332 1.00 12.45 C ATOM 724 CD1 TYR A 48 18.125 3.561 -12.958 1.00 55.23 C ATOM 725 CD2 TYR A 48 20.096 2.309 -13.467 1.00 41.14 C ATOM 726 CE1 TYR A 48 17.410 2.336 -12.711 1.00 21.42 C ATOM 727 CE2 TYR A 48 19.382 1.084 -13.220 1.00 33.51 C ATOM 728 CZ TYR A 48 18.074 1.157 -12.854 1.00 10.32 C ATOM 729 OH TYR A 48 17.399 0.000 -12.620 1.00 62.10 O ATOM 0 H TYR A 48 21.848 4.790 -11.130 1.00 72.31 H new ATOM 0 HA TYR A 48 20.251 6.754 -12.554 1.00 13.42 H new ATOM 0 HB2 TYR A 48 19.675 5.400 -14.349 1.00 12.54 H new ATOM 0 HB3 TYR A 48 21.190 4.585 -14.014 1.00 12.54 H new ATOM 0 HD1 TYR A 48 17.622 4.511 -12.851 1.00 55.23 H new ATOM 0 HD2 TYR A 48 21.136 2.279 -13.758 1.00 41.14 H new ATOM 0 HE1 TYR A 48 16.370 2.353 -12.419 1.00 21.42 H new ATOM 0 HE2 TYR A 48 19.874 0.128 -13.323 1.00 33.51 H new ATOM 0 HH TYR A 48 17.998 -0.763 -12.761 1.00 62.10 H new ATOM 739 N TYR A 49 18.533 6.215 -10.924 1.00 5.24 N ATOM 740 CA TYR A 49 17.514 5.955 -9.921 1.00 4.41 C ATOM 741 C TYR A 49 16.112 6.130 -10.507 1.00 33.42 C ATOM 742 O TYR A 49 15.954 6.272 -11.718 1.00 65.24 O ATOM 743 CB TYR A 49 17.728 6.998 -8.822 1.00 43.21 C ATOM 744 CG TYR A 49 18.446 6.459 -7.584 1.00 24.34 C ATOM 745 CD1 TYR A 49 18.181 5.181 -7.134 1.00 10.13 C ATOM 746 CD2 TYR A 49 19.360 7.249 -6.916 1.00 54.41 C ATOM 747 CE1 TYR A 49 18.857 4.673 -5.968 1.00 12.31 C ATOM 748 CE2 TYR A 49 20.035 6.742 -5.750 1.00 64.44 C ATOM 749 CZ TYR A 49 19.751 5.479 -5.334 1.00 33.41 C ATOM 750 OH TYR A 49 20.389 4.999 -4.233 1.00 0.01 O ATOM 0 H TYR A 49 18.523 7.160 -11.307 1.00 5.24 H new ATOM 0 HA TYR A 49 17.593 4.934 -9.549 1.00 4.41 H new ATOM 0 HB2 TYR A 49 18.304 7.828 -9.231 1.00 43.21 H new ATOM 0 HB3 TYR A 49 16.760 7.399 -8.522 1.00 43.21 H new ATOM 0 HD1 TYR A 49 17.467 4.562 -7.656 1.00 10.13 H new ATOM 0 HD2 TYR A 49 19.569 8.248 -7.268 1.00 54.41 H new ATOM 0 HE1 TYR A 49 18.659 3.675 -5.605 1.00 12.31 H new ATOM 0 HE2 TYR A 49 20.751 7.351 -5.218 1.00 64.44 H new ATOM 0 HH TYR A 49 20.999 5.682 -3.884 1.00 0.01 H new ATOM 760 N LEU A 50 15.128 6.113 -9.619 1.00 62.13 N ATOM 761 CA LEU A 50 13.744 6.267 -10.033 1.00 51.32 C ATOM 762 C LEU A 50 13.078 7.346 -9.177 1.00 54.44 C ATOM 763 O LEU A 50 13.687 7.868 -8.244 1.00 75.44 O ATOM 764 CB LEU A 50 13.020 4.920 -9.997 1.00 23.32 C ATOM 765 CG LEU A 50 13.477 3.885 -11.028 1.00 12.24 C ATOM 766 CD1 LEU A 50 14.358 2.816 -10.378 1.00 52.23 C ATOM 767 CD2 LEU A 50 12.280 3.275 -11.759 1.00 34.41 C ATOM 0 H LEU A 50 15.262 5.995 -8.615 1.00 62.13 H new ATOM 0 HA LEU A 50 13.691 6.603 -11.069 1.00 51.32 H new ATOM 0 HB2 LEU A 50 13.142 4.491 -9.002 1.00 23.32 H new ATOM 0 HB3 LEU A 50 11.954 5.099 -10.139 1.00 23.32 H new ATOM 0 HG LEU A 50 14.086 4.393 -11.776 1.00 12.24 H new ATOM 0 HD11 LEU A 50 14.669 2.093 -11.132 1.00 52.23 H new ATOM 0 HD12 LEU A 50 15.239 3.287 -9.941 1.00 52.23 H new ATOM 0 HD13 LEU A 50 13.794 2.306 -9.597 1.00 52.23 H new ATOM 0 HD21 LEU A 50 12.632 2.543 -12.486 1.00 34.41 H new ATOM 0 HD22 LEU A 50 11.625 2.785 -11.039 1.00 34.41 H new ATOM 0 HD23 LEU A 50 11.729 4.062 -12.274 1.00 34.41 H new ATOM 779 N PHE A 51 11.836 7.650 -9.526 1.00 32.33 N ATOM 780 CA PHE A 51 11.080 8.657 -8.801 1.00 42.31 C ATOM 781 C PHE A 51 9.590 8.574 -9.139 1.00 22.30 C ATOM 782 O PHE A 51 9.184 8.892 -10.256 1.00 5.23 O ATOM 783 CB PHE A 51 11.615 10.021 -9.243 1.00 23.15 C ATOM 784 CG PHE A 51 12.670 10.609 -8.303 1.00 41.21 C ATOM 785 CD1 PHE A 51 12.297 11.132 -7.104 1.00 42.24 C ATOM 786 CD2 PHE A 51 13.981 10.609 -8.667 1.00 14.01 C ATOM 787 CE1 PHE A 51 13.276 11.678 -6.232 1.00 41.15 C ATOM 788 CE2 PHE A 51 14.959 11.155 -7.795 1.00 65.10 C ATOM 789 CZ PHE A 51 14.587 11.678 -6.596 1.00 74.12 C ATOM 0 H PHE A 51 11.335 7.216 -10.301 1.00 32.33 H new ATOM 0 HA PHE A 51 11.191 8.504 -7.728 1.00 42.31 H new ATOM 0 HB2 PHE A 51 12.044 9.926 -10.240 1.00 23.15 H new ATOM 0 HB3 PHE A 51 10.782 10.719 -9.320 1.00 23.15 H new ATOM 0 HD1 PHE A 51 11.256 11.132 -6.815 1.00 42.24 H new ATOM 0 HD2 PHE A 51 14.277 10.194 -9.619 1.00 14.01 H new ATOM 0 HE1 PHE A 51 12.980 12.093 -5.280 1.00 41.15 H new ATOM 0 HE2 PHE A 51 16.000 11.155 -8.084 1.00 65.10 H new ATOM 0 HZ PHE A 51 15.332 12.093 -5.933 1.00 74.12 H new ATOM 799 N GLY A 52 8.816 8.144 -8.154 1.00 31.33 N ATOM 800 CA GLY A 52 7.380 8.014 -8.332 1.00 53.25 C ATOM 801 C GLY A 52 6.667 7.902 -6.983 1.00 41.22 C ATOM 802 O GLY A 52 6.463 8.904 -6.300 1.00 12.51 O ATOM 0 H GLY A 52 9.156 7.881 -7.229 1.00 31.33 H new ATOM 0 HA2 GLY A 52 6.998 8.877 -8.878 1.00 53.25 H new ATOM 0 HA3 GLY A 52 7.163 7.133 -8.936 1.00 53.25 H new ATOM 806 N ARG A 53 6.308 6.674 -6.640 1.00 22.03 N ATOM 807 CA ARG A 53 5.623 6.418 -5.384 1.00 73.04 C ATOM 808 C ARG A 53 5.820 4.962 -4.959 1.00 63.41 C ATOM 809 O ARG A 53 6.060 4.681 -3.786 1.00 33.13 O ATOM 810 CB ARG A 53 4.125 6.708 -5.505 1.00 44.14 C ATOM 811 CG ARG A 53 3.815 7.455 -6.804 1.00 11.20 C ATOM 812 CD ARG A 53 2.310 7.687 -6.957 1.00 62.41 C ATOM 813 NE ARG A 53 1.653 6.446 -7.425 1.00 55.35 N ATOM 814 CZ ARG A 53 0.345 6.167 -7.240 1.00 31.50 C ATOM 815 NH1 ARG A 53 -0.457 7.039 -6.593 1.00 73.41 N ATOM 816 NH2 ARG A 53 -0.137 5.027 -7.701 1.00 15.44 N ATOM 0 H ARG A 53 6.478 5.845 -7.210 1.00 22.03 H new ATOM 0 HA ARG A 53 6.051 7.081 -4.632 1.00 73.04 H new ATOM 0 HB2 ARG A 53 3.566 5.773 -5.477 1.00 44.14 H new ATOM 0 HB3 ARG A 53 3.796 7.302 -4.652 1.00 44.14 H new ATOM 0 HG2 ARG A 53 4.337 8.412 -6.811 1.00 11.20 H new ATOM 0 HG3 ARG A 53 4.187 6.883 -7.654 1.00 11.20 H new ATOM 0 HD2 ARG A 53 1.883 7.998 -6.004 1.00 62.41 H new ATOM 0 HD3 ARG A 53 2.128 8.495 -7.666 1.00 62.41 H new ATOM 0 HE ARG A 53 2.224 5.759 -7.918 1.00 55.35 H new ATOM 0 HH11 ARG A 53 -0.076 7.917 -6.240 1.00 73.41 H new ATOM 0 HH12 ARG A 53 -1.444 6.820 -6.458 1.00 73.41 H new ATOM 0 HH21 ARG A 53 0.477 4.374 -8.188 1.00 15.44 H new ATOM 0 HH22 ARG A 53 -1.123 4.800 -7.570 1.00 15.44 H new ATOM 829 N ASN A 54 5.713 4.073 -5.936 1.00 53.42 N ATOM 830 CA ASN A 54 5.877 2.653 -5.678 1.00 34.12 C ATOM 831 C ASN A 54 7.368 2.320 -5.613 1.00 24.44 C ATOM 832 O ASN A 54 8.068 2.388 -6.622 1.00 21.31 O ATOM 833 CB ASN A 54 5.253 1.814 -6.795 1.00 42.33 C ATOM 834 CG ASN A 54 4.242 0.814 -6.231 1.00 62.04 C ATOM 835 OD1 ASN A 54 3.070 0.820 -6.568 1.00 54.33 O ATOM 836 ND2 ASN A 54 4.760 -0.043 -5.356 1.00 70.55 N ATOM 0 H ASN A 54 5.515 4.309 -6.908 1.00 53.42 H new ATOM 0 HA ASN A 54 5.382 2.422 -4.735 1.00 34.12 H new ATOM 0 HB2 ASN A 54 4.760 2.468 -7.514 1.00 42.33 H new ATOM 0 HB3 ASN A 54 6.036 1.280 -7.334 1.00 42.33 H new ATOM 0 HD21 ASN A 54 4.167 -0.751 -4.923 1.00 70.55 H new ATOM 0 HD22 ASN A 54 5.751 0.007 -5.118 1.00 70.55 H new ATOM 843 N PRO A 55 7.823 1.957 -4.383 1.00 61.02 N ATOM 844 CA PRO A 55 9.219 1.613 -4.173 1.00 70.10 C ATOM 845 C PRO A 55 9.533 0.225 -4.736 1.00 54.44 C ATOM 846 O PRO A 55 10.690 -0.091 -5.009 1.00 33.15 O ATOM 847 CB PRO A 55 9.425 1.704 -2.670 1.00 14.12 C ATOM 848 CG PRO A 55 8.036 1.640 -2.054 1.00 61.15 C ATOM 849 CD PRO A 55 7.023 1.865 -3.165 1.00 43.32 C ATOM 0 HA PRO A 55 9.900 2.284 -4.697 1.00 70.10 H new ATOM 0 HB2 PRO A 55 10.049 0.886 -2.311 1.00 14.12 H new ATOM 0 HB3 PRO A 55 9.929 2.632 -2.400 1.00 14.12 H new ATOM 0 HG2 PRO A 55 7.873 0.673 -1.579 1.00 61.15 H new ATOM 0 HG3 PRO A 55 7.927 2.398 -1.279 1.00 61.15 H new ATOM 0 HD2 PRO A 55 6.308 1.044 -3.222 1.00 43.32 H new ATOM 0 HD3 PRO A 55 6.449 2.776 -2.999 1.00 43.32 H new ATOM 857 N ASP A 56 8.481 -0.565 -4.895 1.00 23.32 N ATOM 858 CA ASP A 56 8.630 -1.912 -5.421 1.00 50.51 C ATOM 859 C ASP A 56 9.260 -1.843 -6.814 1.00 31.43 C ATOM 860 O ASP A 56 9.751 -2.848 -7.327 1.00 11.24 O ATOM 861 CB ASP A 56 7.273 -2.606 -5.550 1.00 14.44 C ATOM 862 CG ASP A 56 7.312 -3.986 -6.209 1.00 12.32 C ATOM 863 OD1 ASP A 56 8.325 -4.697 -6.141 1.00 31.54 O ATOM 864 OD2 ASP A 56 6.229 -4.328 -6.821 1.00 65.24 O ATOM 0 H ASP A 56 7.523 -0.299 -4.669 1.00 23.32 H new ATOM 0 HA ASP A 56 9.259 -2.476 -4.732 1.00 50.51 H new ATOM 0 HB2 ASP A 56 6.838 -2.707 -4.556 1.00 14.44 H new ATOM 0 HB3 ASP A 56 6.607 -1.964 -6.126 1.00 14.44 H new ATOM 870 N LEU A 57 9.225 -0.649 -7.386 1.00 63.01 N ATOM 871 CA LEU A 57 9.787 -0.437 -8.709 1.00 52.33 C ATOM 872 C LEU A 57 10.840 0.671 -8.640 1.00 62.30 C ATOM 873 O LEU A 57 11.945 0.515 -9.157 1.00 61.44 O ATOM 874 CB LEU A 57 8.676 -0.166 -9.726 1.00 14.24 C ATOM 875 CG LEU A 57 7.267 -0.596 -9.310 1.00 63.03 C ATOM 876 CD1 LEU A 57 6.211 0.031 -10.223 1.00 21.34 C ATOM 877 CD2 LEU A 57 7.151 -2.121 -9.263 1.00 5.15 C ATOM 0 H LEU A 57 8.816 0.182 -6.958 1.00 63.01 H new ATOM 0 HA LEU A 57 10.293 -1.338 -9.056 1.00 52.33 H new ATOM 0 HB2 LEU A 57 8.660 0.902 -9.941 1.00 14.24 H new ATOM 0 HB3 LEU A 57 8.930 -0.674 -10.656 1.00 14.24 H new ATOM 0 HG LEU A 57 7.081 -0.227 -8.301 1.00 63.03 H new ATOM 0 HD11 LEU A 57 5.219 -0.290 -9.906 1.00 21.34 H new ATOM 0 HD12 LEU A 57 6.277 1.117 -10.163 1.00 21.34 H new ATOM 0 HD13 LEU A 57 6.384 -0.287 -11.251 1.00 21.34 H new ATOM 0 HD21 LEU A 57 6.140 -2.400 -8.965 1.00 5.15 H new ATOM 0 HD22 LEU A 57 7.365 -2.533 -10.249 1.00 5.15 H new ATOM 0 HD23 LEU A 57 7.865 -2.518 -8.541 1.00 5.15 H new ATOM 889 N CYS A 58 10.461 1.765 -7.996 1.00 73.14 N ATOM 890 CA CYS A 58 11.359 2.898 -7.853 1.00 11.03 C ATOM 891 C CYS A 58 12.134 2.734 -6.544 1.00 30.31 C ATOM 892 O CYS A 58 11.749 1.941 -5.686 1.00 12.45 O ATOM 893 CB CYS A 58 10.604 4.228 -7.906 1.00 45.11 C ATOM 894 SG CYS A 58 9.627 4.332 -9.450 1.00 23.32 S ATOM 0 H CYS A 58 9.544 1.891 -7.567 1.00 73.14 H new ATOM 0 HA CYS A 58 12.059 2.919 -8.689 1.00 11.03 H new ATOM 0 HB2 CYS A 58 9.945 4.316 -7.042 1.00 45.11 H new ATOM 0 HB3 CYS A 58 11.309 5.058 -7.855 1.00 45.11 H new ATOM 0 HG CYS A 58 8.391 4.613 -9.163 1.00 23.32 H new ATOM 900 N ASP A 59 13.212 3.495 -6.432 1.00 44.24 N ATOM 901 CA ASP A 59 14.045 3.444 -5.243 1.00 21.23 C ATOM 902 C ASP A 59 13.567 4.500 -4.245 1.00 13.33 C ATOM 903 O ASP A 59 13.652 4.300 -3.034 1.00 62.32 O ATOM 904 CB ASP A 59 15.507 3.741 -5.581 1.00 24.54 C ATOM 905 CG ASP A 59 16.533 3.044 -4.684 1.00 34.41 C ATOM 906 OD1 ASP A 59 16.656 1.810 -4.694 1.00 62.24 O ATOM 907 OD2 ASP A 59 17.233 3.832 -3.941 1.00 53.41 O ATOM 0 H ASP A 59 13.528 4.151 -7.146 1.00 44.24 H new ATOM 0 HA ASP A 59 13.969 2.442 -4.821 1.00 21.23 H new ATOM 0 HB2 ASP A 59 15.692 3.448 -6.615 1.00 24.54 H new ATOM 0 HB3 ASP A 59 15.667 4.818 -5.521 1.00 24.54 H new ATOM 913 N PHE A 60 13.074 5.603 -4.790 1.00 32.23 N ATOM 914 CA PHE A 60 12.582 6.691 -3.962 1.00 53.23 C ATOM 915 C PHE A 60 11.053 6.746 -3.981 1.00 52.42 C ATOM 916 O PHE A 60 10.401 5.832 -4.483 1.00 62.13 O ATOM 917 CB PHE A 60 13.134 7.989 -4.555 1.00 65.22 C ATOM 918 CG PHE A 60 14.572 8.301 -4.136 1.00 44.50 C ATOM 919 CD1 PHE A 60 15.361 7.318 -3.625 1.00 13.24 C ATOM 920 CD2 PHE A 60 15.062 9.563 -4.275 1.00 22.52 C ATOM 921 CE1 PHE A 60 16.695 7.608 -3.236 1.00 1.44 C ATOM 922 CE2 PHE A 60 16.397 9.853 -3.886 1.00 33.33 C ATOM 923 CZ PHE A 60 17.185 8.869 -3.374 1.00 50.52 C ATOM 0 H PHE A 60 13.005 5.766 -5.794 1.00 32.23 H new ATOM 0 HA PHE A 60 12.901 6.547 -2.930 1.00 53.23 H new ATOM 0 HB2 PHE A 60 13.088 7.928 -5.642 1.00 65.22 H new ATOM 0 HB3 PHE A 60 12.491 8.816 -4.255 1.00 65.22 H new ATOM 0 HD1 PHE A 60 14.972 6.316 -3.515 1.00 13.24 H new ATOM 0 HD2 PHE A 60 14.436 10.344 -4.681 1.00 22.52 H new ATOM 0 HE1 PHE A 60 17.321 6.827 -2.830 1.00 1.44 H new ATOM 0 HE2 PHE A 60 16.786 10.854 -3.997 1.00 33.33 H new ATOM 0 HZ PHE A 60 18.200 9.089 -3.077 1.00 50.52 H new ATOM 933 N THR A 61 10.525 7.828 -3.428 1.00 13.31 N ATOM 934 CA THR A 61 9.085 8.015 -3.375 1.00 33.21 C ATOM 935 C THR A 61 8.742 9.504 -3.305 1.00 41.21 C ATOM 936 O THR A 61 9.170 10.201 -2.386 1.00 62.12 O ATOM 937 CB THR A 61 8.547 7.211 -2.189 1.00 3.41 C ATOM 938 OG1 THR A 61 9.555 7.350 -1.191 1.00 14.03 O ATOM 939 CG2 THR A 61 8.506 5.708 -2.470 1.00 42.05 C ATOM 0 H THR A 61 11.069 8.584 -3.013 1.00 13.31 H new ATOM 0 HA THR A 61 8.605 7.646 -4.281 1.00 33.21 H new ATOM 0 HB THR A 61 7.545 7.560 -1.938 1.00 3.41 H new ATOM 0 HG1 THR A 61 9.287 6.861 -0.385 1.00 14.03 H new ATOM 0 HG21 THR A 61 8.117 5.185 -1.596 1.00 42.05 H new ATOM 0 HG22 THR A 61 7.860 5.515 -3.326 1.00 42.05 H new ATOM 0 HG23 THR A 61 9.513 5.351 -2.688 1.00 42.05 H new ATOM 947 N ILE A 62 7.973 9.948 -4.288 1.00 41.53 N ATOM 948 CA ILE A 62 7.568 11.343 -4.350 1.00 61.40 C ATOM 949 C ILE A 62 6.572 11.630 -3.225 1.00 3.24 C ATOM 950 O ILE A 62 6.526 12.742 -2.701 1.00 54.44 O ATOM 951 CB ILE A 62 7.037 11.685 -5.743 1.00 70.04 C ATOM 952 CG1 ILE A 62 8.032 11.266 -6.828 1.00 31.13 C ATOM 953 CG2 ILE A 62 6.672 13.168 -5.842 1.00 64.31 C ATOM 954 CD1 ILE A 62 7.530 11.665 -8.217 1.00 13.34 C ATOM 0 H ILE A 62 7.619 9.367 -5.048 1.00 41.53 H new ATOM 0 HA ILE A 62 8.426 11.997 -4.192 1.00 61.40 H new ATOM 0 HB ILE A 62 6.122 11.116 -5.908 1.00 70.04 H new ATOM 0 HG12 ILE A 62 8.999 11.732 -6.639 1.00 31.13 H new ATOM 0 HG13 ILE A 62 8.185 10.188 -6.789 1.00 31.13 H new ATOM 0 HG21 ILE A 62 6.297 13.384 -6.842 1.00 64.31 H new ATOM 0 HG22 ILE A 62 5.902 13.403 -5.107 1.00 64.31 H new ATOM 0 HG23 ILE A 62 7.557 13.774 -5.647 1.00 64.31 H new ATOM 0 HD11 ILE A 62 8.256 11.356 -8.969 1.00 13.34 H new ATOM 0 HD12 ILE A 62 6.575 11.178 -8.412 1.00 13.34 H new ATOM 0 HD13 ILE A 62 7.401 12.746 -8.261 1.00 13.34 H new ATOM 966 N ASP A 63 5.801 10.608 -2.885 1.00 55.21 N ATOM 967 CA ASP A 63 4.809 10.737 -1.831 1.00 55.12 C ATOM 968 C ASP A 63 3.791 11.811 -2.223 1.00 24.01 C ATOM 969 O ASP A 63 3.739 12.875 -1.608 1.00 50.01 O ATOM 970 CB ASP A 63 5.458 11.160 -0.512 1.00 61.11 C ATOM 971 CG ASP A 63 4.479 11.441 0.630 1.00 63.31 C ATOM 972 OD1 ASP A 63 4.304 12.593 1.052 1.00 5.33 O ATOM 973 OD2 ASP A 63 3.874 10.402 1.096 1.00 35.35 O ATOM 0 H ASP A 63 5.843 9.687 -3.321 1.00 55.21 H new ATOM 0 HA ASP A 63 4.327 9.768 -1.701 1.00 55.12 H new ATOM 0 HB2 ASP A 63 6.147 10.376 -0.196 1.00 61.11 H new ATOM 0 HB3 ASP A 63 6.054 12.056 -0.688 1.00 61.11 H new ATOM 979 N HIS A 64 3.008 11.495 -3.244 1.00 24.32 N ATOM 980 CA HIS A 64 1.996 12.419 -3.725 1.00 12.23 C ATOM 981 C HIS A 64 0.751 11.639 -4.154 1.00 3.52 C ATOM 982 O HIS A 64 0.568 10.489 -3.759 1.00 65.13 O ATOM 983 CB HIS A 64 2.555 13.305 -4.840 1.00 74.33 C ATOM 984 CG HIS A 64 2.146 14.755 -4.736 1.00 23.11 C ATOM 985 ND1 HIS A 64 2.564 15.740 -3.890 1.00 54.14 N flip ATOM 986 CD2 HIS A 64 1.201 15.329 -5.567 1.00 21.32 C flip ATOM 987 CE1 HIS A 64 1.910 16.855 -4.189 1.00 21.34 C flip ATOM 988 NE2 HIS A 64 1.064 16.603 -5.229 1.00 43.31 N flip ATOM 0 H HIS A 64 3.054 10.611 -3.751 1.00 24.32 H new ATOM 0 HA HIS A 64 1.701 13.092 -2.920 1.00 12.23 H new ATOM 0 HB2 HIS A 64 3.643 13.243 -4.828 1.00 74.33 H new ATOM 0 HB3 HIS A 64 2.224 12.913 -5.802 1.00 74.33 H new ATOM 0 HD2 HIS A 64 0.665 14.824 -6.358 1.00 21.32 H new ATOM 0 HE1 HIS A 64 2.028 17.806 -3.691 1.00 21.34 H new ATOM 0 HE2 HIS A 64 0.437 17.276 -5.669 1.00 43.31 H new ATOM 996 N GLN A 65 -0.072 12.297 -4.956 1.00 54.43 N ATOM 997 CA GLN A 65 -1.294 11.680 -5.443 1.00 55.43 C ATOM 998 C GLN A 65 -1.312 11.673 -6.973 1.00 61.42 C ATOM 999 O GLN A 65 -1.782 10.716 -7.587 1.00 61.02 O ATOM 1000 CB GLN A 65 -2.528 12.392 -4.885 1.00 13.03 C ATOM 1001 CG GLN A 65 -2.910 13.592 -5.754 1.00 4.23 C ATOM 1002 CD GLN A 65 -4.100 14.345 -5.157 1.00 11.24 C ATOM 1003 OE1 GLN A 65 -3.967 15.412 -4.581 1.00 1.55 O ATOM 1004 NE2 GLN A 65 -5.268 13.732 -5.326 1.00 11.12 N ATOM 0 H GLN A 65 0.083 13.251 -5.281 1.00 54.43 H new ATOM 0 HA GLN A 65 -1.321 10.648 -5.093 1.00 55.43 H new ATOM 0 HB2 GLN A 65 -3.364 11.694 -4.836 1.00 13.03 H new ATOM 0 HB3 GLN A 65 -2.330 12.725 -3.866 1.00 13.03 H new ATOM 0 HG2 GLN A 65 -2.058 14.265 -5.845 1.00 4.23 H new ATOM 0 HG3 GLN A 65 -3.157 13.253 -6.760 1.00 4.23 H new ATOM 0 HE21 GLN A 65 -5.309 12.840 -5.818 1.00 11.12 H new ATOM 0 HE22 GLN A 65 -6.123 14.154 -4.963 1.00 11.12 H new ATOM 1013 N SER A 66 -0.794 12.750 -7.545 1.00 21.23 N ATOM 1014 CA SER A 66 -0.744 12.879 -8.991 1.00 71.01 C ATOM 1015 C SER A 66 0.408 12.043 -9.552 1.00 21.32 C ATOM 1016 O SER A 66 0.266 11.401 -10.591 1.00 75.04 O ATOM 1017 CB SER A 66 -0.589 14.343 -9.408 1.00 74.23 C ATOM 1018 OG SER A 66 -1.849 14.965 -9.650 1.00 64.34 O ATOM 0 H SER A 66 -0.405 13.542 -7.033 1.00 21.23 H new ATOM 0 HA SER A 66 -1.685 12.510 -9.400 1.00 71.01 H new ATOM 0 HB2 SER A 66 -0.059 14.888 -8.627 1.00 74.23 H new ATOM 0 HB3 SER A 66 0.023 14.401 -10.308 1.00 74.23 H new ATOM 0 HG SER A 66 -1.708 15.899 -9.912 1.00 64.34 H new ATOM 1024 N CYS A 67 1.524 12.077 -8.838 1.00 52.21 N ATOM 1025 CA CYS A 67 2.700 11.330 -9.251 1.00 52.53 C ATOM 1026 C CYS A 67 2.260 9.916 -9.636 1.00 4.33 C ATOM 1027 O CYS A 67 1.118 9.530 -9.393 1.00 22.24 O ATOM 1028 CB CYS A 67 3.774 11.318 -8.162 1.00 13.05 C ATOM 1029 SG CYS A 67 3.080 10.646 -6.607 1.00 50.40 S ATOM 0 H CYS A 67 1.638 12.610 -7.976 1.00 52.21 H new ATOM 0 HA CYS A 67 3.157 11.814 -10.114 1.00 52.53 H new ATOM 0 HB2 CYS A 67 4.622 10.713 -8.483 1.00 13.05 H new ATOM 0 HB3 CYS A 67 4.147 12.329 -7.997 1.00 13.05 H new ATOM 0 HG CYS A 67 1.831 10.336 -6.788 1.00 50.40 H new ATOM 1035 N SER A 68 3.190 9.183 -10.229 1.00 64.15 N ATOM 1036 CA SER A 68 2.913 7.820 -10.650 1.00 23.22 C ATOM 1037 C SER A 68 4.013 6.883 -10.145 1.00 73.15 C ATOM 1038 O SER A 68 5.092 7.334 -9.766 1.00 43.32 O ATOM 1039 CB SER A 68 2.794 7.727 -12.172 1.00 74.42 C ATOM 1040 OG SER A 68 2.886 6.381 -12.634 1.00 12.44 O ATOM 0 H SER A 68 4.136 9.507 -10.428 1.00 64.15 H new ATOM 0 HA SER A 68 1.959 7.516 -10.219 1.00 23.22 H new ATOM 0 HB2 SER A 68 1.842 8.154 -12.488 1.00 74.42 H new ATOM 0 HB3 SER A 68 3.581 8.323 -12.634 1.00 74.42 H new ATOM 0 HG SER A 68 2.804 6.364 -13.610 1.00 12.44 H new ATOM 1046 N ARG A 69 3.700 5.595 -10.157 1.00 42.54 N ATOM 1047 CA ARG A 69 4.648 4.591 -9.706 1.00 1.00 C ATOM 1048 C ARG A 69 6.071 4.985 -10.109 1.00 33.42 C ATOM 1049 O ARG A 69 6.975 4.996 -9.275 1.00 51.50 O ATOM 1050 CB ARG A 69 4.319 3.219 -10.297 1.00 24.53 C ATOM 1051 CG ARG A 69 3.159 2.562 -9.546 1.00 51.21 C ATOM 1052 CD ARG A 69 1.860 2.662 -10.349 1.00 2.11 C ATOM 1053 NE ARG A 69 0.944 1.564 -9.968 1.00 10.01 N ATOM 1054 CZ ARG A 69 -0.202 1.274 -10.620 1.00 62.42 C ATOM 1055 NH1 ARG A 69 -0.582 1.999 -11.693 1.00 50.13 N ATOM 1056 NH2 ARG A 69 -0.945 0.270 -10.193 1.00 23.22 N ATOM 0 H ARG A 69 2.803 5.224 -10.472 1.00 42.54 H new ATOM 0 HA ARG A 69 4.578 4.533 -8.620 1.00 1.00 H new ATOM 0 HB2 ARG A 69 4.061 3.325 -11.351 1.00 24.53 H new ATOM 0 HB3 ARG A 69 5.199 2.577 -10.248 1.00 24.53 H new ATOM 0 HG2 ARG A 69 3.392 1.515 -9.354 1.00 51.21 H new ATOM 0 HG3 ARG A 69 3.030 3.043 -8.577 1.00 51.21 H new ATOM 0 HD2 ARG A 69 1.383 3.625 -10.166 1.00 2.11 H new ATOM 0 HD3 ARG A 69 2.077 2.612 -11.416 1.00 2.11 H new ATOM 0 HE ARG A 69 1.194 0.990 -9.162 1.00 10.01 H new ATOM 0 HH11 ARG A 69 -0.002 2.773 -12.017 1.00 50.13 H new ATOM 0 HH12 ARG A 69 -1.449 1.773 -12.180 1.00 50.13 H new ATOM 0 HH21 ARG A 69 -0.650 -0.274 -9.382 1.00 23.22 H new ATOM 0 HH22 ARG A 69 -1.814 0.038 -10.674 1.00 23.22 H new ATOM 1069 N VAL A 70 6.224 5.297 -11.387 1.00 45.01 N ATOM 1070 CA VAL A 70 7.522 5.690 -11.911 1.00 13.03 C ATOM 1071 C VAL A 70 7.393 7.039 -12.621 1.00 12.00 C ATOM 1072 O VAL A 70 7.582 7.127 -13.833 1.00 74.23 O ATOM 1073 CB VAL A 70 8.076 4.588 -12.816 1.00 43.30 C ATOM 1074 CG1 VAL A 70 9.604 4.646 -12.877 1.00 30.01 C ATOM 1075 CG2 VAL A 70 7.597 3.209 -12.358 1.00 4.32 C ATOM 0 H VAL A 70 5.471 5.286 -12.075 1.00 45.01 H new ATOM 0 HA VAL A 70 8.239 5.817 -11.100 1.00 13.03 H new ATOM 0 HB VAL A 70 7.694 4.757 -13.823 1.00 43.30 H new ATOM 0 HG11 VAL A 70 9.973 3.852 -13.527 1.00 30.01 H new ATOM 0 HG12 VAL A 70 9.916 5.613 -13.272 1.00 30.01 H new ATOM 0 HG13 VAL A 70 10.013 4.514 -11.875 1.00 30.01 H new ATOM 0 HG21 VAL A 70 8.005 2.444 -13.019 1.00 4.32 H new ATOM 0 HG22 VAL A 70 7.936 3.026 -11.338 1.00 4.32 H new ATOM 0 HG23 VAL A 70 6.508 3.173 -12.391 1.00 4.32 H new ATOM 1085 N HIS A 71 7.072 8.057 -11.836 1.00 21.22 N ATOM 1086 CA HIS A 71 6.916 9.397 -12.374 1.00 53.35 C ATOM 1087 C HIS A 71 8.076 9.708 -13.323 1.00 33.05 C ATOM 1088 O HIS A 71 7.860 10.157 -14.447 1.00 51.30 O ATOM 1089 CB HIS A 71 6.780 10.423 -11.248 1.00 11.15 C ATOM 1090 CG HIS A 71 6.647 11.849 -11.728 1.00 21.24 C ATOM 1091 ND1 HIS A 71 5.635 12.692 -11.302 1.00 64.11 N ATOM 1092 CD2 HIS A 71 7.409 12.570 -12.599 1.00 53.32 C ATOM 1093 CE1 HIS A 71 5.790 13.865 -11.898 1.00 4.00 C ATOM 1094 NE2 HIS A 71 6.890 13.787 -12.702 1.00 14.51 N ATOM 0 H HIS A 71 6.916 7.980 -10.831 1.00 21.22 H new ATOM 0 HA HIS A 71 5.994 9.455 -12.952 1.00 53.35 H new ATOM 0 HB2 HIS A 71 5.908 10.171 -10.644 1.00 11.15 H new ATOM 0 HB3 HIS A 71 7.651 10.350 -10.597 1.00 11.15 H new ATOM 0 HD2 HIS A 71 8.286 12.211 -13.117 1.00 53.32 H new ATOM 0 HE1 HIS A 71 5.157 14.731 -11.770 1.00 4.00 H new ATOM 0 HE2 HIS A 71 7.253 14.540 -13.286 1.00 14.51 H new ATOM 1103 N ALA A 72 9.281 9.456 -12.834 1.00 0.15 N ATOM 1104 CA ALA A 72 10.476 9.703 -13.623 1.00 54.20 C ATOM 1105 C ALA A 72 11.640 8.897 -13.044 1.00 40.02 C ATOM 1106 O ALA A 72 11.446 8.073 -12.152 1.00 61.53 O ATOM 1107 CB ALA A 72 10.765 11.205 -13.655 1.00 1.23 C ATOM 0 H ALA A 72 9.456 9.083 -11.901 1.00 0.15 H new ATOM 0 HA ALA A 72 10.330 9.377 -14.653 1.00 54.20 H new ATOM 0 HB1 ALA A 72 11.661 11.391 -14.247 1.00 1.23 H new ATOM 0 HB2 ALA A 72 9.920 11.729 -14.102 1.00 1.23 H new ATOM 0 HB3 ALA A 72 10.920 11.567 -12.639 1.00 1.23 H new ATOM 1113 N ALA A 73 12.824 9.163 -13.575 1.00 42.54 N ATOM 1114 CA ALA A 73 14.020 8.473 -13.123 1.00 11.13 C ATOM 1115 C ALA A 73 15.234 9.384 -13.317 1.00 32.12 C ATOM 1116 O ALA A 73 15.264 10.195 -14.241 1.00 63.11 O ATOM 1117 CB ALA A 73 14.159 7.148 -13.874 1.00 25.52 C ATOM 0 H ALA A 73 12.981 9.848 -14.315 1.00 42.54 H new ATOM 0 HA ALA A 73 13.950 8.240 -12.061 1.00 11.13 H new ATOM 0 HB1 ALA A 73 15.056 6.630 -13.535 1.00 25.52 H new ATOM 0 HB2 ALA A 73 13.285 6.526 -13.679 1.00 25.52 H new ATOM 0 HB3 ALA A 73 14.235 7.342 -14.944 1.00 25.52 H new ATOM 1123 N LEU A 74 16.205 9.219 -12.430 1.00 53.44 N ATOM 1124 CA LEU A 74 17.418 10.017 -12.493 1.00 31.33 C ATOM 1125 C LEU A 74 18.534 9.189 -13.133 1.00 4.41 C ATOM 1126 O LEU A 74 18.522 7.962 -13.061 1.00 35.43 O ATOM 1127 CB LEU A 74 17.773 10.561 -11.108 1.00 12.24 C ATOM 1128 CG LEU A 74 19.059 11.386 -11.020 1.00 55.14 C ATOM 1129 CD1 LEU A 74 19.027 12.324 -9.812 1.00 40.55 C ATOM 1130 CD2 LEU A 74 20.291 10.480 -11.011 1.00 5.35 C ATOM 0 H LEU A 74 16.176 8.545 -11.665 1.00 53.44 H new ATOM 0 HA LEU A 74 17.267 10.892 -13.125 1.00 31.33 H new ATOM 0 HB2 LEU A 74 16.945 11.178 -10.759 1.00 12.24 H new ATOM 0 HB3 LEU A 74 17.857 9.720 -10.420 1.00 12.24 H new ATOM 0 HG LEU A 74 19.126 12.011 -11.910 1.00 55.14 H new ATOM 0 HD11 LEU A 74 19.952 12.899 -9.773 1.00 40.55 H new ATOM 0 HD12 LEU A 74 18.181 13.005 -9.902 1.00 40.55 H new ATOM 0 HD13 LEU A 74 18.925 11.738 -8.899 1.00 40.55 H new ATOM 0 HD21 LEU A 74 21.191 11.091 -10.948 1.00 5.35 H new ATOM 0 HD22 LEU A 74 20.245 9.812 -10.151 1.00 5.35 H new ATOM 0 HD23 LEU A 74 20.316 9.891 -11.928 1.00 5.35 H new ATOM 1142 N VAL A 75 19.474 9.895 -13.745 1.00 12.31 N ATOM 1143 CA VAL A 75 20.596 9.242 -14.397 1.00 75.44 C ATOM 1144 C VAL A 75 21.830 10.141 -14.303 1.00 33.11 C ATOM 1145 O VAL A 75 21.789 11.301 -14.710 1.00 25.11 O ATOM 1146 CB VAL A 75 20.226 8.883 -15.838 1.00 62.32 C ATOM 1147 CG1 VAL A 75 21.440 8.344 -16.597 1.00 43.24 C ATOM 1148 CG2 VAL A 75 19.069 7.883 -15.875 1.00 33.24 C ATOM 0 H VAL A 75 19.481 10.913 -13.803 1.00 12.31 H new ATOM 0 HA VAL A 75 20.838 8.306 -13.894 1.00 75.44 H new ATOM 0 HB VAL A 75 19.896 9.795 -16.336 1.00 62.32 H new ATOM 0 HG11 VAL A 75 21.150 8.096 -17.618 1.00 43.24 H new ATOM 0 HG12 VAL A 75 22.223 9.102 -16.616 1.00 43.24 H new ATOM 0 HG13 VAL A 75 21.813 7.449 -16.099 1.00 43.24 H new ATOM 0 HG21 VAL A 75 18.827 7.645 -16.911 1.00 33.24 H new ATOM 0 HG22 VAL A 75 19.359 6.972 -15.352 1.00 33.24 H new ATOM 0 HG23 VAL A 75 18.196 8.318 -15.389 1.00 33.24 H new ATOM 1158 N TYR A 76 22.897 9.571 -13.763 1.00 44.54 N ATOM 1159 CA TYR A 76 24.141 10.307 -13.610 1.00 41.23 C ATOM 1160 C TYR A 76 25.031 10.143 -14.844 1.00 53.23 C ATOM 1161 O TYR A 76 25.529 9.051 -15.114 1.00 54.44 O ATOM 1162 CB TYR A 76 24.848 9.692 -12.401 1.00 5.40 C ATOM 1163 CG TYR A 76 26.121 10.431 -11.983 1.00 4.11 C ATOM 1164 CD1 TYR A 76 26.037 11.556 -11.187 1.00 71.34 C ATOM 1165 CD2 TYR A 76 27.354 9.973 -12.401 1.00 63.22 C ATOM 1166 CE1 TYR A 76 27.235 12.251 -10.794 1.00 31.11 C ATOM 1167 CE2 TYR A 76 28.552 10.668 -12.008 1.00 3.13 C ATOM 1168 CZ TYR A 76 28.434 11.773 -11.223 1.00 75.25 C ATOM 1169 OH TYR A 76 29.565 12.429 -10.852 1.00 0.52 O ATOM 0 H TYR A 76 22.926 8.609 -13.426 1.00 44.54 H new ATOM 0 HA TYR A 76 23.944 11.371 -13.483 1.00 41.23 H new ATOM 0 HB2 TYR A 76 24.157 9.675 -11.558 1.00 5.40 H new ATOM 0 HB3 TYR A 76 25.099 8.656 -12.628 1.00 5.40 H new ATOM 0 HD1 TYR A 76 25.072 11.915 -10.859 1.00 71.34 H new ATOM 0 HD2 TYR A 76 27.420 9.093 -13.023 1.00 63.22 H new ATOM 0 HE1 TYR A 76 27.183 13.133 -10.172 1.00 31.11 H new ATOM 0 HE2 TYR A 76 29.523 10.320 -12.329 1.00 3.13 H new ATOM 0 HH TYR A 76 29.330 13.315 -10.506 1.00 0.52 H new ATOM 1179 N HIS A 77 25.203 11.245 -15.560 1.00 64.53 N ATOM 1180 CA HIS A 77 26.024 11.237 -16.759 1.00 63.42 C ATOM 1181 C HIS A 77 27.476 10.930 -16.385 1.00 51.33 C ATOM 1182 O HIS A 77 27.888 11.152 -15.248 1.00 33.34 O ATOM 1183 CB HIS A 77 25.875 12.551 -17.529 1.00 32.44 C ATOM 1184 CG HIS A 77 25.817 12.381 -19.028 1.00 41.11 C ATOM 1185 ND1 HIS A 77 24.764 12.444 -19.892 1.00 12.13 N flip ATOM 1186 CD2 HIS A 77 26.937 12.112 -19.796 1.00 52.33 C flip ATOM 1187 CE1 HIS A 77 25.216 12.227 -21.121 1.00 53.43 C flip ATOM 1188 NE2 HIS A 77 26.563 12.020 -21.063 1.00 53.12 N flip ATOM 0 H HIS A 77 24.788 12.149 -15.333 1.00 64.53 H new ATOM 0 HA HIS A 77 25.684 10.449 -17.431 1.00 63.42 H new ATOM 0 HB2 HIS A 77 24.968 13.055 -17.195 1.00 32.44 H new ATOM 0 HB3 HIS A 77 26.712 13.203 -17.280 1.00 32.44 H new ATOM 0 HD1 HIS A 77 23.793 12.627 -19.637 1.00 12.13 H new ATOM 0 HD2 HIS A 77 27.945 11.997 -19.425 1.00 52.33 H new ATOM 0 HE1 HIS A 77 24.616 12.216 -22.019 1.00 53.43 H new ATOM 1196 N LYS A 78 28.212 10.426 -17.365 1.00 33.33 N ATOM 1197 CA LYS A 78 29.609 10.087 -17.153 1.00 33.40 C ATOM 1198 C LYS A 78 30.485 10.979 -18.034 1.00 52.04 C ATOM 1199 O LYS A 78 31.518 11.476 -17.588 1.00 72.22 O ATOM 1200 CB LYS A 78 29.836 8.590 -17.375 1.00 23.15 C ATOM 1201 CG LYS A 78 29.781 8.241 -18.863 1.00 50.43 C ATOM 1202 CD LYS A 78 29.416 6.770 -19.069 1.00 20.22 C ATOM 1203 CE LYS A 78 30.498 5.852 -18.497 1.00 20.32 C ATOM 1204 NZ LYS A 78 29.900 4.590 -18.005 1.00 44.03 N ATOM 0 H LYS A 78 27.867 10.244 -18.308 1.00 33.33 H new ATOM 0 HA LYS A 78 29.896 10.280 -16.119 1.00 33.40 H new ATOM 0 HB2 LYS A 78 30.804 8.301 -16.966 1.00 23.15 H new ATOM 0 HB3 LYS A 78 29.079 8.020 -16.836 1.00 23.15 H new ATOM 0 HG2 LYS A 78 29.047 8.874 -19.362 1.00 50.43 H new ATOM 0 HG3 LYS A 78 30.747 8.448 -19.324 1.00 50.43 H new ATOM 0 HD2 LYS A 78 28.462 6.557 -18.587 1.00 20.22 H new ATOM 0 HD3 LYS A 78 29.288 6.569 -20.133 1.00 20.22 H new ATOM 0 HE2 LYS A 78 31.241 5.634 -19.264 1.00 20.32 H new ATOM 0 HE3 LYS A 78 31.018 6.357 -17.683 1.00 20.32 H new ATOM 0 HZ1 LYS A 78 30.312 4.348 -17.081 1.00 44.03 H new ATOM 0 HZ2 LYS A 78 28.872 4.709 -17.905 1.00 44.03 H new ATOM 0 HZ3 LYS A 78 30.096 3.826 -18.683 1.00 44.03 H new ATOM 1217 N HIS A 79 30.040 11.155 -19.270 1.00 1.31 N ATOM 1218 CA HIS A 79 30.771 11.979 -20.218 1.00 11.11 C ATOM 1219 C HIS A 79 30.578 13.456 -19.870 1.00 14.43 C ATOM 1220 O HIS A 79 31.261 14.321 -20.415 1.00 41.24 O ATOM 1221 CB HIS A 79 30.359 11.650 -21.654 1.00 62.31 C ATOM 1222 CG HIS A 79 30.042 10.191 -21.883 1.00 24.01 C ATOM 1223 ND1 HIS A 79 31.007 9.258 -22.221 1.00 44.31 N ATOM 1224 CD2 HIS A 79 28.860 9.515 -21.818 1.00 35.04 C ATOM 1225 CE1 HIS A 79 30.420 8.078 -22.352 1.00 24.21 C ATOM 1226 NE2 HIS A 79 29.089 8.239 -22.102 1.00 2.00 N ATOM 0 H HIS A 79 29.183 10.741 -19.637 1.00 1.31 H new ATOM 0 HA HIS A 79 31.837 11.761 -20.148 1.00 11.11 H new ATOM 0 HB2 HIS A 79 29.485 12.247 -21.916 1.00 62.31 H new ATOM 0 HB3 HIS A 79 31.162 11.947 -22.329 1.00 62.31 H new ATOM 0 HD1 HIS A 79 32.001 9.447 -22.348 1.00 44.31 H new ATOM 0 HD2 HIS A 79 27.899 9.945 -21.576 1.00 35.04 H new ATOM 0 HE1 HIS A 79 30.910 7.151 -22.611 1.00 24.21 H new ATOM 1234 N LEU A 80 29.643 13.700 -18.963 1.00 11.02 N ATOM 1235 CA LEU A 80 29.351 15.058 -18.535 1.00 72.32 C ATOM 1236 C LEU A 80 29.675 15.200 -17.047 1.00 22.23 C ATOM 1237 O LEU A 80 30.015 16.287 -16.583 1.00 13.22 O ATOM 1238 CB LEU A 80 27.910 15.433 -18.889 1.00 64.23 C ATOM 1239 CG LEU A 80 27.539 15.342 -20.371 1.00 14.53 C ATOM 1240 CD1 LEU A 80 26.125 15.875 -20.615 1.00 4.12 C ATOM 1241 CD2 LEU A 80 28.577 16.053 -21.241 1.00 2.21 C ATOM 0 H LEU A 80 29.078 12.980 -18.513 1.00 11.02 H new ATOM 0 HA LEU A 80 29.982 15.769 -19.068 1.00 72.32 H new ATOM 0 HB2 LEU A 80 27.238 14.785 -18.326 1.00 64.23 H new ATOM 0 HB3 LEU A 80 27.727 16.453 -18.551 1.00 64.23 H new ATOM 0 HG LEU A 80 27.542 14.291 -20.660 1.00 14.53 H new ATOM 0 HD11 LEU A 80 25.886 15.799 -21.676 1.00 4.12 H new ATOM 0 HD12 LEU A 80 25.410 15.287 -20.039 1.00 4.12 H new ATOM 0 HD13 LEU A 80 26.071 16.918 -20.304 1.00 4.12 H new ATOM 0 HD21 LEU A 80 28.289 15.973 -22.289 1.00 2.21 H new ATOM 0 HD22 LEU A 80 28.630 17.104 -20.958 1.00 2.21 H new ATOM 0 HD23 LEU A 80 29.553 15.589 -21.096 1.00 2.21 H new ATOM 1253 N LYS A 81 29.559 14.085 -16.340 1.00 1.45 N ATOM 1254 CA LYS A 81 29.836 14.072 -14.913 1.00 52.11 C ATOM 1255 C LYS A 81 28.746 14.856 -14.179 1.00 41.43 C ATOM 1256 O LYS A 81 29.025 15.544 -13.198 1.00 20.40 O ATOM 1257 CB LYS A 81 31.252 14.582 -14.637 1.00 72.42 C ATOM 1258 CG LYS A 81 32.297 13.678 -15.294 1.00 63.01 C ATOM 1259 CD LYS A 81 32.632 14.164 -16.706 1.00 24.32 C ATOM 1260 CE LYS A 81 33.082 15.626 -16.690 1.00 40.01 C ATOM 1261 NZ LYS A 81 33.927 15.921 -17.869 1.00 54.21 N ATOM 0 H LYS A 81 29.277 13.185 -16.728 1.00 1.45 H new ATOM 0 HA LYS A 81 29.809 13.052 -14.529 1.00 52.11 H new ATOM 0 HB2 LYS A 81 31.356 15.599 -15.015 1.00 72.42 H new ATOM 0 HB3 LYS A 81 31.425 14.622 -13.562 1.00 72.42 H new ATOM 0 HG2 LYS A 81 33.202 13.661 -14.687 1.00 63.01 H new ATOM 0 HG3 LYS A 81 31.923 12.655 -15.337 1.00 63.01 H new ATOM 0 HD2 LYS A 81 33.420 13.542 -17.131 1.00 24.32 H new ATOM 0 HD3 LYS A 81 31.758 14.056 -17.349 1.00 24.32 H new ATOM 0 HE2 LYS A 81 32.211 16.281 -16.687 1.00 40.01 H new ATOM 0 HE3 LYS A 81 33.639 15.831 -15.776 1.00 40.01 H new ATOM 0 HZ1 LYS A 81 34.224 16.917 -17.843 1.00 54.21 H new ATOM 0 HZ2 LYS A 81 34.768 15.309 -17.856 1.00 54.21 H new ATOM 0 HZ3 LYS A 81 33.384 15.744 -18.738 1.00 54.21 H new ATOM 1274 N ARG A 82 27.528 14.727 -14.683 1.00 53.54 N ATOM 1275 CA ARG A 82 26.395 15.416 -14.088 1.00 72.41 C ATOM 1276 C ARG A 82 25.233 14.442 -13.879 1.00 11.53 C ATOM 1277 O ARG A 82 25.418 13.228 -13.938 1.00 34.24 O ATOM 1278 CB ARG A 82 25.928 16.574 -14.972 1.00 12.13 C ATOM 1279 CG ARG A 82 26.869 16.770 -16.162 1.00 23.02 C ATOM 1280 CD ARG A 82 26.268 17.738 -17.183 1.00 71.41 C ATOM 1281 NE ARG A 82 27.288 18.722 -17.609 1.00 73.11 N ATOM 1282 CZ ARG A 82 27.535 19.882 -16.965 1.00 3.21 C ATOM 1283 NH1 ARG A 82 26.838 20.214 -15.858 1.00 35.42 N ATOM 1284 NH2 ARG A 82 28.470 20.688 -17.434 1.00 31.21 N ATOM 0 H ARG A 82 27.300 14.156 -15.497 1.00 53.54 H new ATOM 0 HA ARG A 82 26.717 15.816 -13.126 1.00 72.41 H new ATOM 0 HB2 ARG A 82 24.918 16.377 -15.331 1.00 12.13 H new ATOM 0 HB3 ARG A 82 25.884 17.491 -14.384 1.00 12.13 H new ATOM 0 HG2 ARG A 82 27.828 17.153 -15.813 1.00 23.02 H new ATOM 0 HG3 ARG A 82 27.064 15.809 -16.638 1.00 23.02 H new ATOM 0 HD2 ARG A 82 25.900 17.185 -18.048 1.00 71.41 H new ATOM 0 HD3 ARG A 82 25.413 18.254 -16.747 1.00 71.41 H new ATOM 0 HE ARG A 82 27.839 18.510 -18.441 1.00 73.11 H new ATOM 0 HH11 ARG A 82 26.118 19.586 -15.501 1.00 35.42 H new ATOM 0 HH12 ARG A 82 27.032 21.093 -15.378 1.00 35.42 H new ATOM 0 HH21 ARG A 82 28.993 20.430 -18.271 1.00 31.21 H new ATOM 0 HH22 ARG A 82 28.669 21.569 -16.959 1.00 31.21 H new ATOM 1297 N VAL A 83 24.061 15.013 -13.638 1.00 63.44 N ATOM 1298 CA VAL A 83 22.869 14.211 -13.420 1.00 25.40 C ATOM 1299 C VAL A 83 21.824 14.559 -14.481 1.00 52.31 C ATOM 1300 O VAL A 83 21.957 15.560 -15.183 1.00 51.25 O ATOM 1301 CB VAL A 83 22.360 14.409 -11.991 1.00 21.21 C ATOM 1302 CG1 VAL A 83 21.130 13.539 -11.722 1.00 3.43 C ATOM 1303 CG2 VAL A 83 23.465 14.127 -10.971 1.00 21.31 C ATOM 0 H VAL A 83 23.912 16.021 -13.589 1.00 63.44 H new ATOM 0 HA VAL A 83 23.097 13.150 -13.525 1.00 25.40 H new ATOM 0 HB VAL A 83 22.063 15.452 -11.883 1.00 21.21 H new ATOM 0 HG11 VAL A 83 20.788 13.699 -10.699 1.00 3.43 H new ATOM 0 HG12 VAL A 83 20.335 13.809 -12.417 1.00 3.43 H new ATOM 0 HG13 VAL A 83 21.390 12.489 -11.858 1.00 3.43 H new ATOM 0 HG21 VAL A 83 23.077 14.275 -9.963 1.00 21.31 H new ATOM 0 HG22 VAL A 83 23.807 13.098 -11.080 1.00 21.31 H new ATOM 0 HG23 VAL A 83 24.300 14.807 -11.142 1.00 21.31 H new ATOM 1313 N PHE A 84 20.807 13.714 -14.564 1.00 60.01 N ATOM 1314 CA PHE A 84 19.739 13.920 -15.528 1.00 1.23 C ATOM 1315 C PHE A 84 18.402 13.418 -14.980 1.00 13.01 C ATOM 1316 O PHE A 84 18.370 12.540 -14.119 1.00 12.21 O ATOM 1317 CB PHE A 84 20.101 13.113 -16.776 1.00 31.32 C ATOM 1318 CG PHE A 84 20.989 13.866 -17.769 1.00 32.05 C ATOM 1319 CD1 PHE A 84 22.335 13.907 -17.581 1.00 42.04 C ATOM 1320 CD2 PHE A 84 20.431 14.494 -18.838 1.00 44.52 C ATOM 1321 CE1 PHE A 84 23.159 14.606 -18.503 1.00 1.03 C ATOM 1322 CE2 PHE A 84 21.255 15.193 -19.759 1.00 43.54 C ATOM 1323 CZ PHE A 84 22.602 15.235 -19.572 1.00 72.54 C ATOM 0 H PHE A 84 20.700 12.885 -13.979 1.00 60.01 H new ATOM 0 HA PHE A 84 19.635 14.983 -15.747 1.00 1.23 H new ATOM 0 HB2 PHE A 84 20.610 12.199 -16.470 1.00 31.32 H new ATOM 0 HB3 PHE A 84 19.183 12.813 -17.281 1.00 31.32 H new ATOM 0 HD1 PHE A 84 22.777 13.408 -16.731 1.00 42.04 H new ATOM 0 HD2 PHE A 84 19.362 14.461 -18.986 1.00 44.52 H new ATOM 0 HE1 PHE A 84 24.228 14.638 -18.355 1.00 1.03 H new ATOM 0 HE2 PHE A 84 20.812 15.692 -20.609 1.00 43.54 H new ATOM 0 HZ PHE A 84 23.228 15.768 -20.272 1.00 72.54 H new ATOM 1333 N LEU A 85 17.330 13.997 -15.502 1.00 22.24 N ATOM 1334 CA LEU A 85 15.993 13.619 -15.076 1.00 3.05 C ATOM 1335 C LEU A 85 15.157 13.251 -16.302 1.00 73.35 C ATOM 1336 O LEU A 85 14.770 14.123 -17.079 1.00 63.32 O ATOM 1337 CB LEU A 85 15.373 14.723 -14.217 1.00 33.22 C ATOM 1338 CG LEU A 85 13.969 14.443 -13.676 1.00 71.24 C ATOM 1339 CD1 LEU A 85 13.708 12.938 -13.581 1.00 40.44 C ATOM 1340 CD2 LEU A 85 13.746 15.149 -12.338 1.00 32.04 C ATOM 0 H LEU A 85 17.360 14.725 -16.216 1.00 22.24 H new ATOM 0 HA LEU A 85 16.031 12.735 -14.439 1.00 3.05 H new ATOM 0 HB2 LEU A 85 16.035 14.914 -13.372 1.00 33.22 H new ATOM 0 HB3 LEU A 85 15.338 15.639 -14.807 1.00 33.22 H new ATOM 0 HG LEU A 85 13.244 14.852 -14.380 1.00 71.24 H new ATOM 0 HD11 LEU A 85 12.704 12.767 -13.194 1.00 40.44 H new ATOM 0 HD12 LEU A 85 13.797 12.490 -14.571 1.00 40.44 H new ATOM 0 HD13 LEU A 85 14.438 12.484 -12.911 1.00 40.44 H new ATOM 0 HD21 LEU A 85 12.741 14.933 -11.976 1.00 32.04 H new ATOM 0 HD22 LEU A 85 14.477 14.793 -11.612 1.00 32.04 H new ATOM 0 HD23 LEU A 85 13.861 16.225 -12.471 1.00 32.04 H new ATOM 1352 N ILE A 86 14.902 11.958 -16.439 1.00 34.24 N ATOM 1353 CA ILE A 86 14.118 11.463 -17.558 1.00 11.41 C ATOM 1354 C ILE A 86 12.645 11.391 -17.151 1.00 52.30 C ATOM 1355 O ILE A 86 12.255 10.526 -16.369 1.00 32.04 O ATOM 1356 CB ILE A 86 14.683 10.134 -18.061 1.00 74.54 C ATOM 1357 CG1 ILE A 86 16.174 10.015 -17.742 1.00 3.11 C ATOM 1358 CG2 ILE A 86 14.399 9.947 -19.553 1.00 44.55 C ATOM 1359 CD1 ILE A 86 16.864 9.040 -18.698 1.00 31.53 C ATOM 0 H ILE A 86 15.225 11.238 -15.793 1.00 34.24 H new ATOM 0 HA ILE A 86 14.182 12.150 -18.402 1.00 11.41 H new ATOM 0 HB ILE A 86 14.176 9.326 -17.533 1.00 74.54 H new ATOM 0 HG12 ILE A 86 16.644 10.996 -17.815 1.00 3.11 H new ATOM 0 HG13 ILE A 86 16.304 9.675 -16.714 1.00 3.11 H new ATOM 0 HG21 ILE A 86 14.811 8.994 -19.885 1.00 44.55 H new ATOM 0 HG22 ILE A 86 13.322 9.955 -19.722 1.00 44.55 H new ATOM 0 HG23 ILE A 86 14.861 10.758 -20.116 1.00 44.55 H new ATOM 0 HD11 ILE A 86 17.923 8.974 -18.449 1.00 31.53 H new ATOM 0 HD12 ILE A 86 16.407 8.055 -18.605 1.00 31.53 H new ATOM 0 HD13 ILE A 86 16.754 9.396 -19.722 1.00 31.53 H new ATOM 1371 N ASP A 87 11.866 12.312 -17.700 1.00 45.05 N ATOM 1372 CA ASP A 87 10.445 12.364 -17.405 1.00 32.24 C ATOM 1373 C ASP A 87 9.755 11.146 -18.023 1.00 11.11 C ATOM 1374 O ASP A 87 9.202 11.231 -19.118 1.00 50.33 O ATOM 1375 CB ASP A 87 9.805 13.621 -17.996 1.00 54.02 C ATOM 1376 CG ASP A 87 10.593 14.914 -17.775 1.00 32.51 C ATOM 1377 OD1 ASP A 87 10.096 16.018 -18.040 1.00 52.14 O ATOM 1378 OD2 ASP A 87 11.782 14.753 -17.302 1.00 62.52 O ATOM 0 H ASP A 87 12.193 13.029 -18.348 1.00 45.05 H new ATOM 0 HA ASP A 87 10.326 12.375 -16.322 1.00 32.24 H new ATOM 0 HB2 ASP A 87 9.672 13.473 -19.068 1.00 54.02 H new ATOM 0 HB3 ASP A 87 8.811 13.741 -17.565 1.00 54.02 H new ATOM 1384 N LEU A 88 9.810 10.041 -17.294 1.00 1.21 N ATOM 1385 CA LEU A 88 9.197 8.808 -17.757 1.00 64.31 C ATOM 1386 C LEU A 88 7.699 9.035 -17.967 1.00 41.24 C ATOM 1387 O LEU A 88 6.891 8.714 -17.098 1.00 13.44 O ATOM 1388 CB LEU A 88 9.516 7.658 -16.799 1.00 3.31 C ATOM 1389 CG LEU A 88 11.000 7.416 -16.513 1.00 33.33 C ATOM 1390 CD1 LEU A 88 11.212 6.062 -15.832 1.00 4.45 C ATOM 1391 CD2 LEU A 88 11.834 7.553 -17.788 1.00 73.10 C ATOM 0 H LEU A 88 10.270 9.974 -16.386 1.00 1.21 H new ATOM 0 HA LEU A 88 9.613 8.515 -18.721 1.00 64.31 H new ATOM 0 HB2 LEU A 88 9.010 7.849 -15.852 1.00 3.31 H new ATOM 0 HB3 LEU A 88 9.091 6.742 -17.208 1.00 3.31 H new ATOM 0 HG LEU A 88 11.344 8.183 -15.820 1.00 33.33 H new ATOM 0 HD11 LEU A 88 12.275 5.914 -15.639 1.00 4.45 H new ATOM 0 HD12 LEU A 88 10.666 6.040 -14.889 1.00 4.45 H new ATOM 0 HD13 LEU A 88 10.847 5.267 -16.482 1.00 4.45 H new ATOM 0 HD21 LEU A 88 12.884 7.376 -17.556 1.00 73.10 H new ATOM 0 HD22 LEU A 88 11.497 6.823 -18.524 1.00 73.10 H new ATOM 0 HD23 LEU A 88 11.716 8.558 -18.194 1.00 73.10 H new ATOM 1403 N ASN A 89 7.374 9.587 -19.127 1.00 50.22 N ATOM 1404 CA ASN A 89 5.987 9.861 -19.463 1.00 1.31 C ATOM 1405 C ASN A 89 5.248 10.334 -18.210 1.00 15.52 C ATOM 1406 O ASN A 89 4.173 9.828 -17.890 1.00 61.13 O ATOM 1407 CB ASN A 89 5.286 8.603 -19.979 1.00 1.13 C ATOM 1408 CG ASN A 89 6.259 7.713 -20.755 1.00 33.33 C ATOM 1409 OD1 ASN A 89 7.052 6.976 -19.982 1.00 61.33 O flip ATOM 1410 ND2 ASN A 89 6.287 7.696 -21.974 1.00 52.01 N flip ATOM 0 H ASN A 89 8.047 9.852 -19.846 1.00 50.22 H new ATOM 0 HA ASN A 89 5.973 10.625 -20.240 1.00 1.31 H new ATOM 0 HB2 ASN A 89 4.867 8.046 -19.141 1.00 1.13 H new ATOM 0 HB3 ASN A 89 4.453 8.885 -20.623 1.00 1.13 H new ATOM 0 HD21 ASN A 89 5.650 8.288 -22.507 1.00 52.01 H new ATOM 0 HD22 ASN A 89 6.948 7.090 -22.461 1.00 52.01 H new ATOM 1417 N SER A 90 5.852 11.300 -17.534 1.00 3.31 N ATOM 1418 CA SER A 90 5.265 11.848 -16.323 1.00 35.51 C ATOM 1419 C SER A 90 3.828 12.297 -16.596 1.00 12.43 C ATOM 1420 O SER A 90 3.548 12.900 -17.631 1.00 2.43 O ATOM 1421 CB SER A 90 6.094 13.016 -15.788 1.00 1.24 C ATOM 1422 OG SER A 90 5.301 13.937 -15.043 1.00 22.33 O ATOM 0 H SER A 90 6.743 11.718 -17.802 1.00 3.31 H new ATOM 0 HA SER A 90 5.257 11.067 -15.563 1.00 35.51 H new ATOM 0 HB2 SER A 90 6.895 12.633 -15.155 1.00 1.24 H new ATOM 0 HB3 SER A 90 6.567 13.536 -16.621 1.00 1.24 H new ATOM 0 HG SER A 90 5.832 14.304 -14.305 1.00 22.33 H new ATOM 1428 N THR A 91 2.955 11.987 -15.649 1.00 34.11 N ATOM 1429 CA THR A 91 1.554 12.352 -15.774 1.00 33.30 C ATOM 1430 C THR A 91 1.418 13.743 -16.396 1.00 4.14 C ATOM 1431 O THR A 91 0.631 13.940 -17.320 1.00 43.01 O ATOM 1432 CB THR A 91 0.910 12.239 -14.390 1.00 45.13 C ATOM 1433 OG1 THR A 91 -0.088 13.256 -14.388 1.00 3.02 O ATOM 1434 CG2 THR A 91 1.864 12.650 -13.266 1.00 73.12 C ATOM 0 H THR A 91 3.191 11.487 -14.792 1.00 34.11 H new ATOM 0 HA THR A 91 1.028 11.676 -16.449 1.00 33.30 H new ATOM 0 HB THR A 91 0.577 11.214 -14.227 1.00 45.13 H new ATOM 0 HG1 THR A 91 -0.556 13.253 -13.527 1.00 3.02 H new ATOM 0 HG21 THR A 91 1.358 12.552 -12.305 1.00 73.12 H new ATOM 0 HG22 THR A 91 2.743 12.006 -13.281 1.00 73.12 H new ATOM 0 HG23 THR A 91 2.171 13.686 -13.410 1.00 73.12 H new ATOM 1442 N HIS A 92 2.198 14.672 -15.863 1.00 1.41 N ATOM 1443 CA HIS A 92 2.175 16.040 -16.354 1.00 23.21 C ATOM 1444 C HIS A 92 3.497 16.355 -17.058 1.00 31.54 C ATOM 1445 O HIS A 92 3.503 16.798 -18.205 1.00 63.41 O ATOM 1446 CB HIS A 92 1.859 17.018 -15.221 1.00 41.42 C ATOM 1447 CG HIS A 92 1.014 16.428 -14.118 1.00 12.13 C ATOM 1448 ND1 HIS A 92 -0.337 16.697 -13.982 1.00 40.34 N ATOM 1449 CD2 HIS A 92 1.341 15.580 -13.101 1.00 23.11 C ATOM 1450 CE1 HIS A 92 -0.792 16.036 -12.928 1.00 5.51 C ATOM 1451 NE2 HIS A 92 0.250 15.345 -12.383 1.00 2.03 N ATOM 0 H HIS A 92 2.850 14.505 -15.096 1.00 1.41 H new ATOM 0 HA HIS A 92 1.377 16.154 -17.088 1.00 23.21 H new ATOM 0 HB2 HIS A 92 2.795 17.378 -14.794 1.00 41.42 H new ATOM 0 HB3 HIS A 92 1.343 17.884 -15.636 1.00 41.42 H new ATOM 0 HD1 HIS A 92 -0.889 17.302 -14.590 1.00 40.34 H new ATOM 0 HD2 HIS A 92 2.322 15.169 -12.912 1.00 23.11 H new ATOM 0 HE1 HIS A 92 -1.809 16.043 -12.564 1.00 5.51 H new ATOM 1459 N GLY A 93 4.584 16.113 -16.340 1.00 44.13 N ATOM 1460 CA GLY A 93 5.909 16.365 -16.881 1.00 41.25 C ATOM 1461 C GLY A 93 6.869 16.832 -15.786 1.00 4.23 C ATOM 1462 O GLY A 93 6.446 17.132 -14.670 1.00 73.34 O ATOM 0 H GLY A 93 4.574 15.745 -15.389 1.00 44.13 H new ATOM 0 HA2 GLY A 93 6.295 15.457 -17.345 1.00 41.25 H new ATOM 0 HA3 GLY A 93 5.848 17.122 -17.663 1.00 41.25 H new ATOM 1466 N THR A 94 8.145 16.880 -16.142 1.00 33.44 N ATOM 1467 CA THR A 94 9.169 17.305 -15.202 1.00 55.14 C ATOM 1468 C THR A 94 9.764 18.646 -15.635 1.00 4.35 C ATOM 1469 O THR A 94 9.697 19.010 -16.808 1.00 2.55 O ATOM 1470 CB THR A 94 10.206 16.186 -15.095 1.00 31.32 C ATOM 1471 OG1 THR A 94 9.430 14.991 -15.108 1.00 31.30 O ATOM 1472 CG2 THR A 94 10.903 16.162 -13.733 1.00 10.31 C ATOM 0 H THR A 94 8.493 16.632 -17.068 1.00 33.44 H new ATOM 0 HA THR A 94 8.751 17.475 -14.210 1.00 55.14 H new ATOM 0 HB THR A 94 10.951 16.305 -15.882 1.00 31.32 H new ATOM 0 HG1 THR A 94 10.024 14.214 -15.044 1.00 31.30 H new ATOM 0 HG21 THR A 94 11.629 15.349 -13.710 1.00 10.31 H new ATOM 0 HG22 THR A 94 11.415 17.110 -13.569 1.00 10.31 H new ATOM 0 HG23 THR A 94 10.162 16.009 -12.948 1.00 10.31 H new ATOM 1480 N PHE A 95 10.334 19.345 -14.663 1.00 61.34 N ATOM 1481 CA PHE A 95 10.941 20.638 -14.929 1.00 25.23 C ATOM 1482 C PHE A 95 12.278 20.776 -14.197 1.00 42.21 C ATOM 1483 O PHE A 95 12.546 20.047 -13.243 1.00 42.32 O ATOM 1484 CB PHE A 95 9.975 21.702 -14.405 1.00 73.22 C ATOM 1485 CG PHE A 95 8.940 22.163 -15.434 1.00 63.21 C ATOM 1486 CD1 PHE A 95 7.998 21.293 -15.887 1.00 52.43 C ATOM 1487 CD2 PHE A 95 8.963 23.442 -15.895 1.00 64.04 C ATOM 1488 CE1 PHE A 95 7.038 21.721 -16.842 1.00 53.21 C ATOM 1489 CE2 PHE A 95 8.003 23.870 -16.850 1.00 64.22 C ATOM 1490 CZ PHE A 95 7.061 23.000 -17.303 1.00 52.54 C ATOM 0 H PHE A 95 10.388 19.040 -13.691 1.00 61.34 H new ATOM 0 HA PHE A 95 11.128 20.749 -15.997 1.00 25.23 H new ATOM 0 HB2 PHE A 95 9.454 21.307 -13.533 1.00 73.22 H new ATOM 0 HB3 PHE A 95 10.549 22.566 -14.070 1.00 73.22 H new ATOM 0 HD1 PHE A 95 7.980 20.277 -15.521 1.00 52.43 H new ATOM 0 HD2 PHE A 95 9.711 24.132 -15.535 1.00 64.04 H new ATOM 0 HE1 PHE A 95 6.290 21.031 -17.202 1.00 53.21 H new ATOM 0 HE2 PHE A 95 8.021 24.886 -17.216 1.00 64.22 H new ATOM 0 HZ PHE A 95 6.331 23.325 -18.029 1.00 52.54 H new ATOM 1500 N LEU A 96 13.082 21.717 -14.672 1.00 74.50 N ATOM 1501 CA LEU A 96 14.384 21.960 -14.075 1.00 71.21 C ATOM 1502 C LEU A 96 14.358 23.298 -13.333 1.00 62.25 C ATOM 1503 O LEU A 96 15.289 24.093 -13.449 1.00 3.35 O ATOM 1504 CB LEU A 96 15.485 21.864 -15.133 1.00 53.34 C ATOM 1505 CG LEU A 96 16.911 22.122 -14.643 1.00 31.52 C ATOM 1506 CD1 LEU A 96 17.150 21.464 -13.282 1.00 74.12 C ATOM 1507 CD2 LEU A 96 17.938 21.673 -15.684 1.00 42.22 C ATOM 0 H LEU A 96 12.856 22.320 -15.463 1.00 74.50 H new ATOM 0 HA LEU A 96 14.615 21.191 -13.338 1.00 71.21 H new ATOM 0 HB2 LEU A 96 15.449 20.869 -15.577 1.00 53.34 H new ATOM 0 HB3 LEU A 96 15.261 22.576 -15.928 1.00 53.34 H new ATOM 0 HG LEU A 96 17.037 23.196 -14.509 1.00 31.52 H new ATOM 0 HD11 LEU A 96 18.171 21.662 -12.956 1.00 74.12 H new ATOM 0 HD12 LEU A 96 16.451 21.872 -12.553 1.00 74.12 H new ATOM 0 HD13 LEU A 96 16.999 20.388 -13.367 1.00 74.12 H new ATOM 0 HD21 LEU A 96 18.943 21.868 -15.311 1.00 42.22 H new ATOM 0 HD22 LEU A 96 17.821 20.606 -15.873 1.00 42.22 H new ATOM 0 HD23 LEU A 96 17.782 22.225 -16.611 1.00 42.22 H new ATOM 1519 N GLY A 97 13.282 23.505 -12.589 1.00 21.32 N ATOM 1520 CA GLY A 97 13.123 24.733 -11.828 1.00 71.35 C ATOM 1521 C GLY A 97 12.330 25.771 -12.624 1.00 51.42 C ATOM 1522 O GLY A 97 11.308 26.270 -12.155 1.00 72.13 O ATOM 0 H GLY A 97 12.511 22.843 -12.497 1.00 21.32 H new ATOM 0 HA2 GLY A 97 12.611 24.520 -10.890 1.00 71.35 H new ATOM 0 HA3 GLY A 97 14.103 25.136 -11.572 1.00 71.35 H new ATOM 1526 N HIS A 98 12.831 26.067 -13.815 1.00 21.15 N ATOM 1527 CA HIS A 98 12.182 27.037 -14.680 1.00 2.32 C ATOM 1528 C HIS A 98 12.129 26.495 -16.110 1.00 5.43 C ATOM 1529 O HIS A 98 11.767 27.217 -17.038 1.00 24.21 O ATOM 1530 CB HIS A 98 12.876 28.398 -14.587 1.00 31.25 C ATOM 1531 CG HIS A 98 14.187 28.471 -15.333 1.00 14.31 C ATOM 1532 ND1 HIS A 98 14.558 29.569 -16.090 1.00 74.31 N ATOM 1533 CD2 HIS A 98 15.209 27.573 -15.429 1.00 52.44 C ATOM 1534 CE1 HIS A 98 15.751 29.331 -16.615 1.00 34.31 C ATOM 1535 NE2 HIS A 98 16.152 28.093 -16.205 1.00 3.43 N ATOM 0 H HIS A 98 13.679 25.652 -14.201 1.00 21.15 H new ATOM 0 HA HIS A 98 11.155 27.194 -14.350 1.00 2.32 H new ATOM 0 HB2 HIS A 98 12.205 29.164 -14.976 1.00 31.25 H new ATOM 0 HB3 HIS A 98 13.053 28.633 -13.538 1.00 31.25 H new ATOM 0 HD1 HIS A 98 14.007 30.417 -16.221 1.00 74.31 H new ATOM 0 HD2 HIS A 98 15.245 26.604 -14.954 1.00 52.44 H new ATOM 0 HE1 HIS A 98 16.308 29.999 -17.255 1.00 34.31 H new ATOM 1543 N ILE A 99 12.496 25.229 -16.242 1.00 40.23 N ATOM 1544 CA ILE A 99 12.495 24.582 -17.543 1.00 41.03 C ATOM 1545 C ILE A 99 11.665 23.299 -17.469 1.00 54.24 C ATOM 1546 O ILE A 99 11.384 22.799 -16.381 1.00 52.12 O ATOM 1547 CB ILE A 99 13.928 24.360 -18.032 1.00 72.12 C ATOM 1548 CG1 ILE A 99 14.724 25.666 -18.009 1.00 52.32 C ATOM 1549 CG2 ILE A 99 13.940 23.706 -19.415 1.00 72.52 C ATOM 1550 CD1 ILE A 99 16.217 25.395 -17.814 1.00 11.30 C ATOM 0 H ILE A 99 12.796 24.634 -15.470 1.00 40.23 H new ATOM 0 HA ILE A 99 12.024 25.224 -18.287 1.00 41.03 H new ATOM 0 HB ILE A 99 14.420 23.671 -17.345 1.00 72.12 H new ATOM 0 HG12 ILE A 99 14.568 26.208 -18.942 1.00 52.32 H new ATOM 0 HG13 ILE A 99 14.359 26.305 -17.205 1.00 52.32 H new ATOM 0 HG21 ILE A 99 14.970 23.559 -19.739 1.00 72.52 H new ATOM 0 HG22 ILE A 99 13.434 22.742 -19.366 1.00 72.52 H new ATOM 0 HG23 ILE A 99 13.424 24.350 -20.127 1.00 72.52 H new ATOM 0 HD11 ILE A 99 16.760 26.340 -17.801 1.00 11.30 H new ATOM 0 HD12 ILE A 99 16.372 24.875 -16.869 1.00 11.30 H new ATOM 0 HD13 ILE A 99 16.585 24.777 -18.633 1.00 11.30 H new ATOM 1562 N ARG A 100 11.295 22.803 -18.641 1.00 11.30 N ATOM 1563 CA ARG A 100 10.502 21.588 -18.723 1.00 1.31 C ATOM 1564 C ARG A 100 11.230 20.535 -19.561 1.00 54.33 C ATOM 1565 O ARG A 100 12.003 20.875 -20.455 1.00 65.41 O ATOM 1566 CB ARG A 100 9.131 21.866 -19.343 1.00 22.11 C ATOM 1567 CG ARG A 100 9.229 21.966 -20.866 1.00 53.15 C ATOM 1568 CD ARG A 100 8.945 20.614 -21.524 1.00 52.22 C ATOM 1569 NE ARG A 100 7.613 20.120 -21.110 1.00 74.14 N ATOM 1570 CZ ARG A 100 7.007 19.039 -21.646 1.00 34.23 C ATOM 1571 NH1 ARG A 100 7.610 18.329 -22.623 1.00 30.35 N ATOM 1572 NH2 ARG A 100 5.815 18.687 -21.200 1.00 22.42 N ATOM 0 H ARG A 100 11.530 23.221 -19.541 1.00 11.30 H new ATOM 0 HA ARG A 100 10.360 21.215 -17.709 1.00 1.31 H new ATOM 0 HB2 ARG A 100 8.437 21.071 -19.071 1.00 22.11 H new ATOM 0 HB3 ARG A 100 8.727 22.794 -18.939 1.00 22.11 H new ATOM 0 HG2 ARG A 100 8.520 22.708 -21.232 1.00 53.15 H new ATOM 0 HG3 ARG A 100 10.224 22.310 -21.148 1.00 53.15 H new ATOM 0 HD2 ARG A 100 8.984 20.713 -22.609 1.00 52.22 H new ATOM 0 HD3 ARG A 100 9.713 19.894 -21.241 1.00 52.22 H new ATOM 0 HE ARG A 100 7.122 20.628 -20.374 1.00 74.14 H new ATOM 0 HH11 ARG A 100 8.531 18.608 -22.962 1.00 30.35 H new ATOM 0 HH12 ARG A 100 7.145 17.514 -23.022 1.00 30.35 H new ATOM 0 HH21 ARG A 100 5.366 19.229 -20.462 1.00 22.42 H new ATOM 0 HH22 ARG A 100 5.343 17.873 -21.594 1.00 22.42 H new ATOM 1585 N LEU A 101 10.955 19.279 -19.243 1.00 24.20 N ATOM 1586 CA LEU A 101 11.574 18.174 -19.956 1.00 2.12 C ATOM 1587 C LEU A 101 10.491 17.362 -20.668 1.00 52.04 C ATOM 1588 O LEU A 101 9.321 17.416 -20.292 1.00 21.21 O ATOM 1589 CB LEU A 101 12.442 17.344 -19.008 1.00 33.42 C ATOM 1590 CG LEU A 101 12.543 17.856 -17.570 1.00 20.55 C ATOM 1591 CD1 LEU A 101 13.392 16.916 -16.712 1.00 21.54 C ATOM 1592 CD2 LEU A 101 13.066 19.293 -17.535 1.00 23.23 C ATOM 0 H LEU A 101 10.312 19.002 -18.501 1.00 24.20 H new ATOM 0 HA LEU A 101 12.250 18.548 -20.725 1.00 2.12 H new ATOM 0 HB2 LEU A 101 12.049 16.327 -18.984 1.00 33.42 H new ATOM 0 HB3 LEU A 101 13.448 17.287 -19.424 1.00 33.42 H new ATOM 0 HG LEU A 101 11.541 17.868 -17.140 1.00 20.55 H new ATOM 0 HD11 LEU A 101 13.448 17.303 -15.695 1.00 21.54 H new ATOM 0 HD12 LEU A 101 12.938 15.925 -16.699 1.00 21.54 H new ATOM 0 HD13 LEU A 101 14.396 16.849 -17.130 1.00 21.54 H new ATOM 0 HD21 LEU A 101 13.128 19.632 -16.501 1.00 23.23 H new ATOM 0 HD22 LEU A 101 14.056 19.331 -17.990 1.00 23.23 H new ATOM 0 HD23 LEU A 101 12.387 19.941 -18.089 1.00 23.23 H new ATOM 1604 N GLU A 102 10.919 16.628 -21.685 1.00 51.54 N ATOM 1605 CA GLU A 102 10.000 15.806 -22.454 1.00 40.31 C ATOM 1606 C GLU A 102 9.761 14.472 -21.744 1.00 55.24 C ATOM 1607 O GLU A 102 10.585 14.034 -20.944 1.00 1.23 O ATOM 1608 CB GLU A 102 10.520 15.585 -23.876 1.00 2.32 C ATOM 1609 CG GLU A 102 11.043 16.891 -24.477 1.00 45.15 C ATOM 1610 CD GLU A 102 10.941 16.871 -26.004 1.00 2.10 C ATOM 1611 OE1 GLU A 102 11.673 17.606 -26.684 1.00 21.30 O ATOM 1612 OE2 GLU A 102 10.064 16.055 -26.481 1.00 72.30 O ATOM 0 H GLU A 102 11.890 16.586 -21.994 1.00 51.54 H new ATOM 0 HA GLU A 102 9.048 16.332 -22.529 1.00 40.31 H new ATOM 0 HB2 GLU A 102 11.317 14.841 -23.864 1.00 2.32 H new ATOM 0 HB3 GLU A 102 9.721 15.187 -24.502 1.00 2.32 H new ATOM 0 HG2 GLU A 102 10.473 17.732 -24.082 1.00 45.15 H new ATOM 0 HG3 GLU A 102 12.081 17.042 -24.180 1.00 45.15 H new ATOM 1620 N PRO A 103 8.598 13.847 -22.072 1.00 51.31 N ATOM 1621 CA PRO A 103 8.240 12.572 -21.475 1.00 55.10 C ATOM 1622 C PRO A 103 9.063 11.433 -22.080 1.00 34.13 C ATOM 1623 O PRO A 103 8.509 10.422 -22.508 1.00 72.42 O ATOM 1624 CB PRO A 103 6.748 12.425 -21.726 1.00 53.44 C ATOM 1625 CG PRO A 103 6.418 13.393 -22.852 1.00 35.53 C ATOM 1626 CD PRO A 103 7.597 14.336 -23.016 1.00 44.43 C ATOM 0 HA PRO A 103 8.457 12.532 -20.407 1.00 55.10 H new ATOM 0 HB2 PRO A 103 6.498 11.401 -22.005 1.00 53.44 H new ATOM 0 HB3 PRO A 103 6.176 12.660 -20.829 1.00 53.44 H new ATOM 0 HG2 PRO A 103 6.231 12.851 -23.779 1.00 35.53 H new ATOM 0 HG3 PRO A 103 5.511 13.952 -22.621 1.00 35.53 H new ATOM 0 HD2 PRO A 103 7.976 14.322 -24.038 1.00 44.43 H new ATOM 0 HD3 PRO A 103 7.314 15.365 -22.795 1.00 44.43 H new ATOM 1634 N HIS A 104 10.372 11.635 -22.095 1.00 31.02 N ATOM 1635 CA HIS A 104 11.277 10.637 -22.640 1.00 10.24 C ATOM 1636 C HIS A 104 12.685 11.226 -22.748 1.00 10.13 C ATOM 1637 O HIS A 104 13.669 10.550 -22.451 1.00 10.31 O ATOM 1638 CB HIS A 104 10.755 10.101 -23.974 1.00 34.22 C ATOM 1639 CG HIS A 104 10.039 8.775 -23.865 1.00 43.20 C ATOM 1640 ND1 HIS A 104 10.624 7.651 -23.308 1.00 43.24 N ATOM 1641 CD2 HIS A 104 8.783 8.407 -24.246 1.00 35.20 C ATOM 1642 CE1 HIS A 104 9.750 6.657 -23.358 1.00 63.33 C ATOM 1643 NE2 HIS A 104 8.610 7.127 -23.940 1.00 73.22 N ATOM 0 H HIS A 104 10.828 12.475 -21.739 1.00 31.02 H new ATOM 0 HA HIS A 104 11.329 9.782 -21.967 1.00 10.24 H new ATOM 0 HB2 HIS A 104 10.076 10.835 -24.408 1.00 34.22 H new ATOM 0 HB3 HIS A 104 11.592 9.995 -24.664 1.00 34.22 H new ATOM 0 HD1 HIS A 104 11.568 7.597 -22.924 1.00 43.24 H new ATOM 0 HD2 HIS A 104 8.053 9.048 -24.717 1.00 35.20 H new ATOM 0 HE1 HIS A 104 9.912 5.651 -23.001 1.00 63.33 H new ATOM 1651 N LYS A 105 12.736 12.480 -23.174 1.00 23.44 N ATOM 1652 CA LYS A 105 14.007 13.167 -23.325 1.00 4.34 C ATOM 1653 C LYS A 105 14.534 13.566 -21.944 1.00 54.35 C ATOM 1654 O LYS A 105 13.840 14.238 -21.182 1.00 63.02 O ATOM 1655 CB LYS A 105 13.868 14.343 -24.293 1.00 45.35 C ATOM 1656 CG LYS A 105 13.194 13.905 -25.595 1.00 33.12 C ATOM 1657 CD LYS A 105 13.763 14.669 -26.792 1.00 20.20 C ATOM 1658 CE LYS A 105 14.061 16.123 -26.423 1.00 1.32 C ATOM 1659 NZ LYS A 105 13.898 17.002 -27.603 1.00 35.52 N ATOM 0 H LYS A 105 11.918 13.038 -23.419 1.00 23.44 H new ATOM 0 HA LYS A 105 14.748 12.503 -23.770 1.00 4.34 H new ATOM 0 HB2 LYS A 105 13.284 15.136 -23.826 1.00 45.35 H new ATOM 0 HB3 LYS A 105 14.852 14.758 -24.511 1.00 45.35 H new ATOM 0 HG2 LYS A 105 13.338 12.834 -25.741 1.00 33.12 H new ATOM 0 HG3 LYS A 105 12.120 14.076 -25.528 1.00 33.12 H new ATOM 0 HD2 LYS A 105 14.676 14.183 -27.137 1.00 20.20 H new ATOM 0 HD3 LYS A 105 13.053 14.638 -27.619 1.00 20.20 H new ATOM 0 HE2 LYS A 105 13.391 16.447 -25.626 1.00 1.32 H new ATOM 0 HE3 LYS A 105 15.078 16.206 -26.038 1.00 1.32 H new ATOM 0 HZ1 LYS A 105 14.543 17.814 -27.523 1.00 35.52 H new ATOM 0 HZ2 LYS A 105 14.120 16.468 -28.467 1.00 35.52 H new ATOM 0 HZ3 LYS A 105 12.917 17.343 -27.649 1.00 35.52 H new ATOM 1672 N PRO A 106 15.787 13.124 -21.658 1.00 3.34 N ATOM 1673 CA PRO A 106 16.415 13.428 -20.383 1.00 15.13 C ATOM 1674 C PRO A 106 16.879 14.885 -20.334 1.00 25.03 C ATOM 1675 O PRO A 106 17.103 15.504 -21.373 1.00 4.23 O ATOM 1676 CB PRO A 106 17.559 12.435 -20.260 1.00 74.04 C ATOM 1677 CG PRO A 106 17.819 11.924 -21.668 1.00 72.50 C ATOM 1678 CD PRO A 106 16.638 12.326 -22.536 1.00 51.50 C ATOM 0 HA PRO A 106 15.729 13.329 -19.542 1.00 15.13 H new ATOM 0 HB2 PRO A 106 18.448 12.912 -19.847 1.00 74.04 H new ATOM 0 HB3 PRO A 106 17.296 11.617 -19.590 1.00 74.04 H new ATOM 0 HG2 PRO A 106 18.743 12.346 -22.062 1.00 72.50 H new ATOM 0 HG3 PRO A 106 17.939 10.841 -21.665 1.00 72.50 H new ATOM 0 HD2 PRO A 106 16.962 12.901 -23.403 1.00 51.50 H new ATOM 0 HD3 PRO A 106 16.108 11.451 -22.913 1.00 51.50 H new ATOM 1686 N GLN A 107 17.011 15.390 -19.116 1.00 1.11 N ATOM 1687 CA GLN A 107 17.446 16.762 -18.918 1.00 15.42 C ATOM 1688 C GLN A 107 18.482 16.834 -17.795 1.00 45.11 C ATOM 1689 O GLN A 107 18.156 16.621 -16.629 1.00 35.53 O ATOM 1690 CB GLN A 107 16.255 17.677 -18.624 1.00 1.42 C ATOM 1691 CG GLN A 107 16.706 18.951 -17.906 1.00 24.23 C ATOM 1692 CD GLN A 107 17.771 19.691 -18.718 1.00 71.55 C ATOM 1693 OE1 GLN A 107 18.799 20.124 -17.995 1.00 24.35 O flip ATOM 1694 NE2 GLN A 107 17.665 19.857 -19.923 1.00 44.12 N flip ATOM 0 H GLN A 107 16.824 14.873 -18.257 1.00 1.11 H new ATOM 0 HA GLN A 107 17.913 17.111 -19.839 1.00 15.42 H new ATOM 0 HB2 GLN A 107 15.754 17.939 -19.556 1.00 1.42 H new ATOM 0 HB3 GLN A 107 15.528 17.147 -18.009 1.00 1.42 H new ATOM 0 HG2 GLN A 107 15.849 19.604 -17.744 1.00 24.23 H new ATOM 0 HG3 GLN A 107 17.104 18.697 -16.923 1.00 24.23 H new ATOM 0 HE21 GLN A 107 16.848 19.498 -20.417 1.00 44.12 H new ATOM 0 HE22 GLN A 107 18.393 20.355 -20.435 1.00 44.12 H new ATOM 1703 N GLN A 108 19.712 17.135 -18.187 1.00 12.53 N ATOM 1704 CA GLN A 108 20.799 17.238 -17.228 1.00 33.02 C ATOM 1705 C GLN A 108 20.335 17.989 -15.978 1.00 32.52 C ATOM 1706 O GLN A 108 19.291 18.640 -15.992 1.00 65.10 O ATOM 1707 CB GLN A 108 22.019 17.916 -17.853 1.00 3.10 C ATOM 1708 CG GLN A 108 22.234 19.311 -17.263 1.00 11.33 C ATOM 1709 CD GLN A 108 23.434 20.003 -17.912 1.00 63.22 C ATOM 1710 OE1 GLN A 108 24.296 20.521 -17.042 1.00 61.44 O flip ATOM 1711 NE2 GLN A 108 23.569 20.062 -19.123 1.00 0.31 N flip ATOM 0 H GLN A 108 19.980 17.311 -19.155 1.00 12.53 H new ATOM 0 HA GLN A 108 21.095 16.231 -16.934 1.00 33.02 H new ATOM 0 HB2 GLN A 108 22.906 17.305 -17.683 1.00 3.10 H new ATOM 0 HB3 GLN A 108 21.885 17.990 -18.932 1.00 3.10 H new ATOM 0 HG2 GLN A 108 21.338 19.914 -17.411 1.00 11.33 H new ATOM 0 HG3 GLN A 108 22.392 19.234 -16.187 1.00 11.33 H new ATOM 0 HE21 GLN A 108 22.869 19.643 -19.735 1.00 0.31 H new ATOM 0 HE22 GLN A 108 24.382 20.530 -19.523 1.00 0.31 H new ATOM 1720 N ILE A 109 21.133 17.872 -14.926 1.00 54.14 N ATOM 1721 CA ILE A 109 20.817 18.532 -13.671 1.00 32.43 C ATOM 1722 C ILE A 109 22.105 19.068 -13.043 1.00 70.12 C ATOM 1723 O ILE A 109 22.933 18.296 -12.562 1.00 45.43 O ATOM 1724 CB ILE A 109 20.032 17.591 -12.754 1.00 54.03 C ATOM 1725 CG1 ILE A 109 18.949 16.842 -13.535 1.00 2.33 C ATOM 1726 CG2 ILE A 109 19.454 18.348 -11.556 1.00 45.14 C ATOM 1727 CD1 ILE A 109 17.788 17.772 -13.892 1.00 2.51 C ATOM 0 H ILE A 109 21.997 17.330 -14.917 1.00 54.14 H new ATOM 0 HA ILE A 109 20.166 19.389 -13.845 1.00 32.43 H new ATOM 0 HB ILE A 109 20.721 16.844 -12.361 1.00 54.03 H new ATOM 0 HG12 ILE A 109 19.377 16.422 -14.446 1.00 2.33 H new ATOM 0 HG13 ILE A 109 18.580 16.006 -12.941 1.00 2.33 H new ATOM 0 HG21 ILE A 109 18.901 17.656 -10.921 1.00 45.14 H new ATOM 0 HG22 ILE A 109 20.266 18.797 -10.983 1.00 45.14 H new ATOM 0 HG23 ILE A 109 18.783 19.131 -11.910 1.00 45.14 H new ATOM 0 HD11 ILE A 109 17.033 17.215 -14.446 1.00 2.51 H new ATOM 0 HD12 ILE A 109 17.347 18.171 -12.978 1.00 2.51 H new ATOM 0 HD13 ILE A 109 18.156 18.594 -14.506 1.00 2.51 H new ATOM 1739 N PRO A 110 22.237 20.421 -13.069 1.00 53.31 N ATOM 1740 CA PRO A 110 23.410 21.070 -12.509 1.00 31.23 C ATOM 1741 C PRO A 110 23.359 21.069 -10.980 1.00 11.35 C ATOM 1742 O PRO A 110 22.320 20.775 -10.390 1.00 5.34 O ATOM 1743 CB PRO A 110 23.407 22.469 -13.103 1.00 24.13 C ATOM 1744 CG PRO A 110 21.992 22.707 -13.603 1.00 71.20 C ATOM 1745 CD PRO A 110 21.276 21.366 -13.630 1.00 52.43 C ATOM 0 HA PRO A 110 24.336 20.550 -12.754 1.00 31.23 H new ATOM 0 HB2 PRO A 110 23.687 23.211 -12.355 1.00 24.13 H new ATOM 0 HB3 PRO A 110 24.127 22.549 -13.917 1.00 24.13 H new ATOM 0 HG2 PRO A 110 21.469 23.406 -12.950 1.00 71.20 H new ATOM 0 HG3 PRO A 110 22.008 23.151 -14.598 1.00 71.20 H new ATOM 0 HD2 PRO A 110 20.359 21.395 -13.041 1.00 52.43 H new ATOM 0 HD3 PRO A 110 20.994 21.088 -14.646 1.00 52.43 H new ATOM 1753 N ILE A 111 24.493 21.402 -10.381 1.00 43.24 N ATOM 1754 CA ILE A 111 24.591 21.444 -8.932 1.00 40.02 C ATOM 1755 C ILE A 111 23.809 22.650 -8.407 1.00 72.42 C ATOM 1756 O ILE A 111 23.672 23.656 -9.102 1.00 31.53 O ATOM 1757 CB ILE A 111 26.057 21.423 -8.493 1.00 54.32 C ATOM 1758 CG1 ILE A 111 26.815 20.278 -9.167 1.00 34.41 C ATOM 1759 CG2 ILE A 111 26.171 21.368 -6.969 1.00 5.35 C ATOM 1760 CD1 ILE A 111 26.170 18.928 -8.843 1.00 53.44 C ATOM 0 H ILE A 111 25.352 21.645 -10.873 1.00 43.24 H new ATOM 0 HA ILE A 111 24.138 20.555 -8.494 1.00 40.02 H new ATOM 0 HB ILE A 111 26.525 22.353 -8.818 1.00 54.32 H new ATOM 0 HG12 ILE A 111 26.826 20.430 -10.246 1.00 34.41 H new ATOM 0 HG13 ILE A 111 27.853 20.278 -8.834 1.00 34.41 H new ATOM 0 HG21 ILE A 111 27.223 21.354 -6.683 1.00 5.35 H new ATOM 0 HG22 ILE A 111 25.689 22.245 -6.536 1.00 5.35 H new ATOM 0 HG23 ILE A 111 25.683 20.466 -6.600 1.00 5.35 H new ATOM 0 HD11 ILE A 111 26.728 18.131 -9.334 1.00 53.44 H new ATOM 0 HD12 ILE A 111 26.182 18.768 -7.765 1.00 53.44 H new ATOM 0 HD13 ILE A 111 25.140 18.922 -9.199 1.00 53.44 H new ATOM 1772 N ASP A 112 23.316 22.508 -7.186 1.00 11.34 N ATOM 1773 CA ASP A 112 22.551 23.573 -6.559 1.00 50.34 C ATOM 1774 C ASP A 112 21.376 23.951 -7.464 1.00 1.11 C ATOM 1775 O ASP A 112 20.798 25.027 -7.319 1.00 52.13 O ATOM 1776 CB ASP A 112 23.411 24.822 -6.355 1.00 12.11 C ATOM 1777 CG ASP A 112 24.436 24.723 -5.223 1.00 54.31 C ATOM 1778 OD1 ASP A 112 24.827 25.737 -4.626 1.00 31.04 O ATOM 1779 OD2 ASP A 112 24.841 23.528 -4.957 1.00 72.24 O ATOM 0 H ASP A 112 23.431 21.672 -6.614 1.00 11.34 H new ATOM 0 HA ASP A 112 22.202 23.213 -5.591 1.00 50.34 H new ATOM 0 HB2 ASP A 112 23.938 25.038 -7.284 1.00 12.11 H new ATOM 0 HB3 ASP A 112 22.754 25.669 -6.157 1.00 12.11 H new ATOM 1785 N SER A 113 21.058 23.045 -8.377 1.00 3.03 N ATOM 1786 CA SER A 113 19.963 23.270 -9.305 1.00 31.34 C ATOM 1787 C SER A 113 18.624 23.055 -8.596 1.00 22.43 C ATOM 1788 O SER A 113 18.582 22.897 -7.377 1.00 34.24 O ATOM 1789 CB SER A 113 20.074 22.348 -10.521 1.00 14.22 C ATOM 1790 OG SER A 113 18.914 22.412 -11.346 1.00 53.13 O ATOM 0 H SER A 113 21.540 22.154 -8.494 1.00 3.03 H new ATOM 0 HA SER A 113 20.019 24.300 -9.657 1.00 31.34 H new ATOM 0 HB2 SER A 113 20.951 22.624 -11.106 1.00 14.22 H new ATOM 0 HB3 SER A 113 20.224 21.322 -10.186 1.00 14.22 H new ATOM 0 HG SER A 113 18.967 23.202 -11.924 1.00 53.13 H new ATOM 1796 N THR A 114 17.564 23.055 -9.390 1.00 13.21 N ATOM 1797 CA THR A 114 16.227 22.862 -8.854 1.00 1.03 C ATOM 1798 C THR A 114 15.315 22.234 -9.909 1.00 53.21 C ATOM 1799 O THR A 114 15.323 22.648 -11.067 1.00 53.24 O ATOM 1800 CB THR A 114 15.724 24.213 -8.341 1.00 74.21 C ATOM 1801 OG1 THR A 114 16.626 24.544 -7.290 1.00 25.44 O ATOM 1802 CG2 THR A 114 14.365 24.106 -7.646 1.00 31.33 C ATOM 0 H THR A 114 17.603 23.186 -10.401 1.00 13.21 H new ATOM 0 HA THR A 114 16.233 22.163 -8.018 1.00 1.03 H new ATOM 0 HB THR A 114 15.652 24.913 -9.174 1.00 74.21 H new ATOM 0 HG1 THR A 114 16.680 23.797 -6.658 1.00 25.44 H new ATOM 0 HG21 THR A 114 14.054 25.092 -7.301 1.00 31.33 H new ATOM 0 HG22 THR A 114 13.627 23.718 -8.348 1.00 31.33 H new ATOM 0 HG23 THR A 114 14.445 23.432 -6.793 1.00 31.33 H new ATOM 1810 N VAL A 115 14.550 21.245 -9.471 1.00 71.11 N ATOM 1811 CA VAL A 115 13.634 20.556 -10.364 1.00 34.33 C ATOM 1812 C VAL A 115 12.249 20.491 -9.716 1.00 22.25 C ATOM 1813 O VAL A 115 12.135 20.403 -8.494 1.00 3.41 O ATOM 1814 CB VAL A 115 14.191 19.177 -10.723 1.00 32.21 C ATOM 1815 CG1 VAL A 115 15.540 18.937 -10.043 1.00 64.23 C ATOM 1816 CG2 VAL A 115 13.193 18.073 -10.367 1.00 23.31 C ATOM 0 H VAL A 115 14.546 20.904 -8.510 1.00 71.11 H new ATOM 0 HA VAL A 115 13.530 21.104 -11.301 1.00 34.33 H new ATOM 0 HB VAL A 115 14.350 19.150 -11.801 1.00 32.21 H new ATOM 0 HG11 VAL A 115 15.914 17.950 -10.315 1.00 64.23 H new ATOM 0 HG12 VAL A 115 16.251 19.696 -10.368 1.00 64.23 H new ATOM 0 HG13 VAL A 115 15.417 18.993 -8.961 1.00 64.23 H new ATOM 0 HG21 VAL A 115 13.613 17.103 -10.632 1.00 23.31 H new ATOM 0 HG22 VAL A 115 12.988 18.099 -9.297 1.00 23.31 H new ATOM 0 HG23 VAL A 115 12.266 18.229 -10.918 1.00 23.31 H new ATOM 1826 N SER A 116 11.232 20.536 -10.563 1.00 34.12 N ATOM 1827 CA SER A 116 9.859 20.483 -10.088 1.00 4.32 C ATOM 1828 C SER A 116 9.046 19.512 -10.945 1.00 53.15 C ATOM 1829 O SER A 116 8.779 19.784 -12.115 1.00 44.40 O ATOM 1830 CB SER A 116 9.217 21.872 -10.104 1.00 63.12 C ATOM 1831 OG SER A 116 8.764 22.235 -11.406 1.00 1.25 O ATOM 0 H SER A 116 11.330 20.609 -11.576 1.00 34.12 H new ATOM 0 HA SER A 116 9.867 20.128 -9.057 1.00 4.32 H new ATOM 0 HB2 SER A 116 8.377 21.891 -9.409 1.00 63.12 H new ATOM 0 HB3 SER A 116 9.939 22.609 -9.752 1.00 63.12 H new ATOM 0 HG SER A 116 8.298 21.475 -11.814 1.00 1.25 H new ATOM 1837 N PHE A 117 8.673 18.399 -10.331 1.00 5.14 N ATOM 1838 CA PHE A 117 7.896 17.386 -11.023 1.00 75.21 C ATOM 1839 C PHE A 117 6.452 17.849 -11.230 1.00 0.11 C ATOM 1840 O PHE A 117 6.000 18.791 -10.581 1.00 34.12 O ATOM 1841 CB PHE A 117 7.896 16.138 -10.137 1.00 43.53 C ATOM 1842 CG PHE A 117 9.148 15.271 -10.286 1.00 32.25 C ATOM 1843 CD1 PHE A 117 10.381 15.840 -10.220 1.00 63.23 C ATOM 1844 CD2 PHE A 117 9.027 13.931 -10.482 1.00 73.45 C ATOM 1845 CE1 PHE A 117 11.543 15.035 -10.358 1.00 31.53 C ATOM 1846 CE2 PHE A 117 10.188 13.125 -10.620 1.00 1.41 C ATOM 1847 CZ PHE A 117 11.422 13.694 -10.555 1.00 13.33 C ATOM 0 H PHE A 117 8.895 18.177 -9.361 1.00 5.14 H new ATOM 0 HA PHE A 117 8.331 17.189 -12.003 1.00 75.21 H new ATOM 0 HB2 PHE A 117 7.800 16.444 -9.095 1.00 43.53 H new ATOM 0 HB3 PHE A 117 7.019 15.536 -10.374 1.00 43.53 H new ATOM 0 HD1 PHE A 117 10.477 16.904 -10.063 1.00 63.23 H new ATOM 0 HD2 PHE A 117 8.047 13.479 -10.533 1.00 73.45 H new ATOM 0 HE1 PHE A 117 12.522 15.487 -10.307 1.00 31.53 H new ATOM 0 HE2 PHE A 117 10.091 12.061 -10.776 1.00 1.41 H new ATOM 0 HZ PHE A 117 12.305 13.082 -10.660 1.00 13.33 H new ATOM 1857 N GLY A 118 5.769 17.166 -12.137 1.00 21.14 N ATOM 1858 CA GLY A 118 4.386 17.496 -12.437 1.00 62.51 C ATOM 1859 C GLY A 118 3.532 17.484 -11.168 1.00 13.51 C ATOM 1860 O GLY A 118 3.198 18.540 -10.631 1.00 32.51 O ATOM 0 H GLY A 118 6.148 16.386 -12.674 1.00 21.14 H new ATOM 0 HA2 GLY A 118 4.336 18.480 -12.904 1.00 62.51 H new ATOM 0 HA3 GLY A 118 3.986 16.781 -13.156 1.00 62.51 H new ATOM 1864 N ALA A 119 3.202 16.280 -10.725 1.00 63.01 N ATOM 1865 CA ALA A 119 2.393 16.118 -9.529 1.00 61.32 C ATOM 1866 C ALA A 119 2.930 17.034 -8.427 1.00 72.54 C ATOM 1867 O ALA A 119 2.427 18.140 -8.235 1.00 21.51 O ATOM 1868 CB ALA A 119 2.387 14.646 -9.112 1.00 65.54 C ATOM 0 H ALA A 119 3.480 15.407 -11.173 1.00 63.01 H new ATOM 0 HA ALA A 119 1.360 16.406 -9.723 1.00 61.32 H new ATOM 0 HB1 ALA A 119 1.780 14.524 -8.215 1.00 65.54 H new ATOM 0 HB2 ALA A 119 1.969 14.041 -9.917 1.00 65.54 H new ATOM 0 HB3 ALA A 119 3.407 14.322 -8.907 1.00 65.54 H new ATOM 1874 N SER A 120 3.944 16.539 -7.733 1.00 10.11 N ATOM 1875 CA SER A 120 4.554 17.299 -6.655 1.00 44.13 C ATOM 1876 C SER A 120 5.186 18.578 -7.209 1.00 72.14 C ATOM 1877 O SER A 120 5.951 18.530 -8.172 1.00 13.45 O ATOM 1878 CB SER A 120 5.604 16.465 -5.919 1.00 22.21 C ATOM 1879 OG SER A 120 5.042 15.743 -4.826 1.00 61.13 O ATOM 0 H SER A 120 4.359 15.621 -7.896 1.00 10.11 H new ATOM 0 HA SER A 120 3.775 17.566 -5.941 1.00 44.13 H new ATOM 0 HB2 SER A 120 6.066 15.766 -6.616 1.00 22.21 H new ATOM 0 HB3 SER A 120 6.395 17.119 -5.553 1.00 22.21 H new ATOM 0 HG SER A 120 4.215 16.181 -4.535 1.00 61.13 H new ATOM 1885 N THR A 121 4.842 19.691 -6.578 1.00 62.12 N ATOM 1886 CA THR A 121 5.366 20.980 -6.996 1.00 12.41 C ATOM 1887 C THR A 121 6.669 21.292 -6.257 1.00 33.41 C ATOM 1888 O THR A 121 7.139 22.428 -6.272 1.00 13.23 O ATOM 1889 CB THR A 121 4.275 22.029 -6.771 1.00 75.05 C ATOM 1890 OG1 THR A 121 4.324 22.287 -5.371 1.00 42.41 O ATOM 1891 CG2 THR A 121 2.869 21.469 -6.997 1.00 72.24 C ATOM 0 H THR A 121 4.207 19.727 -5.781 1.00 62.12 H new ATOM 0 HA THR A 121 5.622 20.977 -8.055 1.00 12.41 H new ATOM 0 HB THR A 121 4.441 22.874 -7.439 1.00 75.05 H new ATOM 0 HG1 THR A 121 3.649 22.958 -5.138 1.00 42.41 H new ATOM 0 HG21 THR A 121 2.133 22.254 -6.824 1.00 72.24 H new ATOM 0 HG22 THR A 121 2.781 21.108 -8.022 1.00 72.24 H new ATOM 0 HG23 THR A 121 2.690 20.645 -6.306 1.00 72.24 H new ATOM 1899 N ARG A 122 7.215 20.262 -5.628 1.00 65.51 N ATOM 1900 CA ARG A 122 8.455 20.411 -4.885 1.00 21.32 C ATOM 1901 C ARG A 122 9.505 21.121 -5.741 1.00 3.31 C ATOM 1902 O ARG A 122 9.239 21.476 -6.888 1.00 64.34 O ATOM 1903 CB ARG A 122 9.001 19.051 -4.445 1.00 73.52 C ATOM 1904 CG ARG A 122 8.105 18.420 -3.377 1.00 24.04 C ATOM 1905 CD ARG A 122 7.815 19.413 -2.249 1.00 70.31 C ATOM 1906 NE ARG A 122 7.495 18.683 -1.002 1.00 74.22 N ATOM 1907 CZ ARG A 122 6.803 19.213 0.029 1.00 51.12 C ATOM 1908 NH1 ARG A 122 6.353 20.484 -0.030 1.00 55.31 N ATOM 1909 NH2 ARG A 122 6.574 18.470 1.095 1.00 33.13 N ATOM 0 H ARG A 122 6.822 19.321 -5.617 1.00 65.51 H new ATOM 0 HA ARG A 122 8.240 21.008 -3.998 1.00 21.32 H new ATOM 0 HB2 ARG A 122 9.069 18.387 -5.306 1.00 73.52 H new ATOM 0 HB3 ARG A 122 10.011 19.170 -4.053 1.00 73.52 H new ATOM 0 HG2 ARG A 122 7.168 18.094 -3.829 1.00 24.04 H new ATOM 0 HG3 ARG A 122 8.588 17.532 -2.970 1.00 24.04 H new ATOM 0 HD2 ARG A 122 8.679 20.059 -2.091 1.00 70.31 H new ATOM 0 HD3 ARG A 122 6.981 20.058 -2.527 1.00 70.31 H new ATOM 0 HE ARG A 122 7.817 17.719 -0.916 1.00 74.22 H new ATOM 0 HH11 ARG A 122 6.535 21.052 -0.858 1.00 55.31 H new ATOM 0 HH12 ARG A 122 5.831 20.877 0.753 1.00 55.31 H new ATOM 0 HH21 ARG A 122 6.918 17.511 1.131 1.00 33.13 H new ATOM 0 HH22 ARG A 122 6.053 18.855 1.883 1.00 33.13 H new ATOM 1922 N ALA A 123 10.676 21.308 -5.150 1.00 42.30 N ATOM 1923 CA ALA A 123 11.768 21.970 -5.844 1.00 54.33 C ATOM 1924 C ALA A 123 13.071 21.216 -5.573 1.00 10.45 C ATOM 1925 O ALA A 123 14.025 21.788 -5.048 1.00 2.32 O ATOM 1926 CB ALA A 123 11.839 23.434 -5.406 1.00 15.33 C ATOM 0 H ALA A 123 10.893 21.013 -4.198 1.00 42.30 H new ATOM 0 HA ALA A 123 11.600 21.960 -6.921 1.00 54.33 H new ATOM 0 HB1 ALA A 123 12.658 23.930 -5.927 1.00 15.33 H new ATOM 0 HB2 ALA A 123 10.900 23.932 -5.648 1.00 15.33 H new ATOM 0 HB3 ALA A 123 12.009 23.484 -4.331 1.00 15.33 H new ATOM 1932 N TYR A 124 13.069 19.944 -5.942 1.00 4.10 N ATOM 1933 CA TYR A 124 14.240 19.106 -5.745 1.00 32.04 C ATOM 1934 C TYR A 124 15.518 19.846 -6.145 1.00 72.22 C ATOM 1935 O TYR A 124 15.714 20.163 -7.317 1.00 41.03 O ATOM 1936 CB TYR A 124 14.054 17.898 -6.665 1.00 51.44 C ATOM 1937 CG TYR A 124 12.862 17.013 -6.297 1.00 21.41 C ATOM 1938 CD1 TYR A 124 12.097 17.311 -5.187 1.00 43.24 C ATOM 1939 CD2 TYR A 124 12.552 15.915 -7.074 1.00 32.13 C ATOM 1940 CE1 TYR A 124 10.976 16.477 -4.841 1.00 14.54 C ATOM 1941 CE2 TYR A 124 11.430 15.081 -6.727 1.00 1.21 C ATOM 1942 CZ TYR A 124 10.697 15.404 -5.627 1.00 63.34 C ATOM 1943 OH TYR A 124 9.638 14.616 -5.300 1.00 10.32 O ATOM 0 H TYR A 124 12.275 19.473 -6.376 1.00 4.10 H new ATOM 0 HA TYR A 124 14.337 18.822 -4.697 1.00 32.04 H new ATOM 0 HB2 TYR A 124 13.929 18.250 -7.689 1.00 51.44 H new ATOM 0 HB3 TYR A 124 14.962 17.295 -6.643 1.00 51.44 H new ATOM 0 HD1 TYR A 124 12.340 18.170 -4.578 1.00 43.24 H new ATOM 0 HD2 TYR A 124 13.151 15.681 -7.942 1.00 32.13 H new ATOM 0 HE1 TYR A 124 10.370 16.699 -3.975 1.00 14.54 H new ATOM 0 HE2 TYR A 124 11.176 14.219 -7.326 1.00 1.21 H new ATOM 0 HH TYR A 124 8.955 15.156 -4.850 1.00 10.32 H new ATOM 1953 N THR A 125 16.354 20.099 -5.149 1.00 72.01 N ATOM 1954 CA THR A 125 17.607 20.795 -5.383 1.00 5.51 C ATOM 1955 C THR A 125 18.780 19.814 -5.333 1.00 41.12 C ATOM 1956 O THR A 125 19.167 19.358 -4.258 1.00 44.15 O ATOM 1957 CB THR A 125 17.718 21.927 -4.359 1.00 30.32 C ATOM 1958 OG1 THR A 125 17.031 23.016 -4.969 1.00 30.20 O ATOM 1959 CG2 THR A 125 19.153 22.434 -4.199 1.00 33.21 C ATOM 0 H THR A 125 16.188 19.834 -4.178 1.00 72.01 H new ATOM 0 HA THR A 125 17.634 21.235 -6.380 1.00 5.51 H new ATOM 0 HB THR A 125 17.346 21.581 -3.395 1.00 30.32 H new ATOM 0 HG1 THR A 125 16.082 22.791 -5.066 1.00 30.20 H new ATOM 0 HG21 THR A 125 19.175 23.236 -3.461 1.00 33.21 H new ATOM 0 HG22 THR A 125 19.793 21.617 -3.866 1.00 33.21 H new ATOM 0 HG23 THR A 125 19.515 22.811 -5.156 1.00 33.21 H new ATOM 1967 N LEU A 126 19.312 19.518 -6.510 1.00 25.23 N ATOM 1968 CA LEU A 126 20.433 18.599 -6.614 1.00 22.21 C ATOM 1969 C LEU A 126 21.703 19.291 -6.115 1.00 41.34 C ATOM 1970 O LEU A 126 22.215 20.201 -6.766 1.00 54.12 O ATOM 1971 CB LEU A 126 20.549 18.054 -8.039 1.00 53.20 C ATOM 1972 CG LEU A 126 21.798 17.224 -8.341 1.00 3.43 C ATOM 1973 CD1 LEU A 126 22.969 18.123 -8.744 1.00 52.12 C ATOM 1974 CD2 LEU A 126 22.152 16.317 -7.161 1.00 2.45 C ATOM 0 H LEU A 126 18.988 19.898 -7.399 1.00 25.23 H new ATOM 0 HA LEU A 126 20.272 17.729 -5.977 1.00 22.21 H new ATOM 0 HB2 LEU A 126 19.671 17.441 -8.245 1.00 53.20 H new ATOM 0 HB3 LEU A 126 20.520 18.895 -8.732 1.00 53.20 H new ATOM 0 HG LEU A 126 21.581 16.577 -9.191 1.00 3.43 H new ATOM 0 HD11 LEU A 126 23.844 17.508 -8.953 1.00 52.12 H new ATOM 0 HD12 LEU A 126 22.702 18.690 -9.636 1.00 52.12 H new ATOM 0 HD13 LEU A 126 23.196 18.812 -7.930 1.00 52.12 H new ATOM 0 HD21 LEU A 126 23.044 15.738 -7.402 1.00 2.45 H new ATOM 0 HD22 LEU A 126 22.343 16.927 -6.278 1.00 2.45 H new ATOM 0 HD23 LEU A 126 21.322 15.639 -6.961 1.00 2.45 H new ATOM 1986 N ARG A 127 22.175 18.834 -4.965 1.00 44.11 N ATOM 1987 CA ARG A 127 23.376 19.398 -4.372 1.00 11.32 C ATOM 1988 C ARG A 127 24.592 18.535 -4.712 1.00 63.10 C ATOM 1989 O ARG A 127 24.489 17.592 -5.496 1.00 4.53 O ATOM 1990 CB ARG A 127 23.242 19.502 -2.851 1.00 41.22 C ATOM 1991 CG ARG A 127 23.569 20.917 -2.367 1.00 74.45 C ATOM 1992 CD ARG A 127 22.456 21.896 -2.747 1.00 3.21 C ATOM 1993 NE ARG A 127 21.319 21.757 -1.811 1.00 14.53 N ATOM 1994 CZ ARG A 127 21.237 22.388 -0.620 1.00 11.41 C ATOM 1995 NH1 ARG A 127 22.228 23.208 -0.210 1.00 12.34 N ATOM 1996 NH2 ARG A 127 20.174 22.191 0.137 1.00 12.42 N ATOM 0 H ARG A 127 21.748 18.080 -4.428 1.00 44.11 H new ATOM 0 HA ARG A 127 23.510 20.398 -4.783 1.00 11.32 H new ATOM 0 HB2 ARG A 127 22.228 19.237 -2.553 1.00 41.22 H new ATOM 0 HB3 ARG A 127 23.912 18.787 -2.374 1.00 41.22 H new ATOM 0 HG2 ARG A 127 23.702 20.914 -1.285 1.00 74.45 H new ATOM 0 HG3 ARG A 127 24.512 21.246 -2.803 1.00 74.45 H new ATOM 0 HD2 ARG A 127 22.835 22.918 -2.723 1.00 3.21 H new ATOM 0 HD3 ARG A 127 22.124 21.704 -3.767 1.00 3.21 H new ATOM 0 HE ARG A 127 20.549 21.146 -2.082 1.00 14.53 H new ATOM 0 HH11 ARG A 127 23.046 23.355 -0.801 1.00 12.34 H new ATOM 0 HH12 ARG A 127 22.159 23.681 0.691 1.00 12.34 H new ATOM 0 HH21 ARG A 127 19.430 21.570 -0.180 1.00 12.42 H new ATOM 0 HH22 ARG A 127 20.097 22.660 1.039 1.00 12.42 H new ATOM 2009 N GLU A 128 25.716 18.888 -4.106 1.00 25.51 N ATOM 2010 CA GLU A 128 26.951 18.157 -4.335 1.00 23.41 C ATOM 2011 C GLU A 128 27.900 18.333 -3.148 1.00 22.43 C ATOM 2012 O GLU A 128 28.490 19.398 -2.973 1.00 22.33 O ATOM 2013 CB GLU A 128 27.617 18.600 -5.639 1.00 71.32 C ATOM 2014 CG GLU A 128 29.105 18.242 -5.645 1.00 14.24 C ATOM 2015 CD GLU A 128 29.766 18.666 -6.958 1.00 15.43 C ATOM 2016 OE1 GLU A 128 29.486 19.762 -7.467 1.00 30.11 O ATOM 2017 OE2 GLU A 128 30.598 17.813 -7.450 1.00 31.51 O ATOM 0 H GLU A 128 25.798 19.670 -3.457 1.00 25.51 H new ATOM 0 HA GLU A 128 26.711 17.098 -4.430 1.00 23.41 H new ATOM 0 HB2 GLU A 128 27.121 18.123 -6.485 1.00 71.32 H new ATOM 0 HB3 GLU A 128 27.498 19.676 -5.765 1.00 71.32 H new ATOM 0 HG2 GLU A 128 29.604 18.731 -4.808 1.00 14.24 H new ATOM 0 HG3 GLU A 128 29.225 17.168 -5.504 1.00 14.24 H new ATOM 2025 N LYS A 129 28.018 17.272 -2.363 1.00 32.23 N ATOM 2026 CA LYS A 129 28.885 17.296 -1.197 1.00 61.21 C ATOM 2027 C LYS A 129 30.155 18.083 -1.528 1.00 13.05 C ATOM 2028 O LYS A 129 31.078 17.550 -2.141 1.00 31.00 O ATOM 2029 CB LYS A 129 29.155 15.874 -0.701 1.00 32.13 C ATOM 2030 CG LYS A 129 27.860 15.198 -0.244 1.00 64.33 C ATOM 2031 CD LYS A 129 28.151 14.073 0.751 1.00 31.23 C ATOM 2032 CE LYS A 129 26.853 13.477 1.300 1.00 53.14 C ATOM 2033 NZ LYS A 129 27.110 12.744 2.559 1.00 24.21 N ATOM 0 H LYS A 129 27.528 16.390 -2.512 1.00 32.23 H new ATOM 0 HA LYS A 129 28.397 17.810 -0.369 1.00 61.21 H new ATOM 0 HB2 LYS A 129 29.614 15.288 -1.497 1.00 32.13 H new ATOM 0 HB3 LYS A 129 29.866 15.902 0.125 1.00 32.13 H new ATOM 0 HG2 LYS A 129 27.204 15.936 0.217 1.00 64.33 H new ATOM 0 HG3 LYS A 129 27.331 14.796 -1.108 1.00 64.33 H new ATOM 0 HD2 LYS A 129 28.735 13.293 0.263 1.00 31.23 H new ATOM 0 HD3 LYS A 129 28.755 14.457 1.573 1.00 31.23 H new ATOM 0 HE2 LYS A 129 26.128 14.271 1.477 1.00 53.14 H new ATOM 0 HE3 LYS A 129 26.415 12.803 0.563 1.00 53.14 H new ATOM 0 HZ1 LYS A 129 26.218 12.346 2.917 1.00 24.21 H new ATOM 0 HZ2 LYS A 129 27.786 11.974 2.381 1.00 24.21 H new ATOM 0 HZ3 LYS A 129 27.507 13.396 3.265 1.00 24.21 H new ATOM 2046 N PRO A 130 30.160 19.372 -1.095 1.00 4.40 N ATOM 2047 CA PRO A 130 31.301 20.238 -1.338 1.00 43.44 C ATOM 2048 C PRO A 130 32.465 19.886 -0.410 1.00 65.44 C ATOM 2049 O PRO A 130 32.499 18.798 0.163 1.00 10.15 O ATOM 2050 CB PRO A 130 30.777 21.649 -1.124 1.00 44.02 C ATOM 2051 CG PRO A 130 29.496 21.500 -0.320 1.00 51.13 C ATOM 2052 CD PRO A 130 29.085 20.038 -0.365 1.00 73.54 C ATOM 0 HA PRO A 130 31.707 20.126 -2.343 1.00 43.44 H new ATOM 0 HB2 PRO A 130 31.505 22.259 -0.589 1.00 44.02 H new ATOM 0 HB3 PRO A 130 30.585 22.143 -2.076 1.00 44.02 H new ATOM 0 HG2 PRO A 130 29.652 21.821 0.710 1.00 51.13 H new ATOM 0 HG3 PRO A 130 28.710 22.131 -0.735 1.00 51.13 H new ATOM 0 HD2 PRO A 130 28.974 19.627 0.638 1.00 73.54 H new ATOM 0 HD3 PRO A 130 28.127 19.912 -0.869 1.00 73.54 H new ATOM 2060 N GLN A 131 33.392 20.826 -0.292 1.00 33.52 N ATOM 2061 CA GLN A 131 34.554 20.628 0.557 1.00 64.41 C ATOM 2062 C GLN A 131 34.135 20.573 2.027 1.00 21.23 C ATOM 2063 O GLN A 131 33.107 21.133 2.405 1.00 70.34 O ATOM 2064 CB GLN A 131 35.596 21.724 0.324 1.00 30.13 C ATOM 2065 CG GLN A 131 35.156 23.043 0.963 1.00 22.45 C ATOM 2066 CD GLN A 131 36.159 24.158 0.664 1.00 4.41 C ATOM 2067 OE1 GLN A 131 37.124 24.370 1.380 1.00 23.52 O ATOM 2068 NE2 GLN A 131 35.879 24.858 -0.431 1.00 51.44 N ATOM 0 H GLN A 131 33.362 21.726 -0.770 1.00 33.52 H new ATOM 0 HA GLN A 131 35.013 19.675 0.295 1.00 64.41 H new ATOM 0 HB2 GLN A 131 36.554 21.415 0.742 1.00 30.13 H new ATOM 0 HB3 GLN A 131 35.746 21.866 -0.746 1.00 30.13 H new ATOM 0 HG2 GLN A 131 34.172 23.323 0.586 1.00 22.45 H new ATOM 0 HG3 GLN A 131 35.060 22.915 2.041 1.00 22.45 H new ATOM 0 HE21 GLN A 131 35.055 24.628 -0.986 1.00 51.44 H new ATOM 0 HE22 GLN A 131 36.489 25.625 -0.716 1.00 51.44 H new ATOM 2077 N THR A 132 34.953 19.893 2.818 1.00 52.12 N ATOM 2078 CA THR A 132 34.680 19.758 4.239 1.00 74.15 C ATOM 2079 C THR A 132 35.814 20.373 5.061 1.00 60.35 C ATOM 2080 O THR A 132 35.640 20.669 6.241 1.00 12.15 O ATOM 2081 CB THR A 132 34.448 18.275 4.536 1.00 12.24 C ATOM 2082 OG1 THR A 132 34.340 18.219 5.956 1.00 24.02 O ATOM 2083 CG2 THR A 132 35.674 17.416 4.221 1.00 32.11 C ATOM 0 H THR A 132 35.805 19.430 2.502 1.00 52.12 H new ATOM 0 HA THR A 132 33.782 20.306 4.524 1.00 74.15 H new ATOM 0 HB THR A 132 33.596 17.917 3.957 1.00 12.24 H new ATOM 0 HG1 THR A 132 34.617 19.077 6.339 1.00 24.02 H new ATOM 0 HG21 THR A 132 35.456 16.373 4.450 1.00 32.11 H new ATOM 0 HG22 THR A 132 35.923 17.511 3.164 1.00 32.11 H new ATOM 0 HG23 THR A 132 36.518 17.751 4.824 1.00 32.11 H new TER 2091 THR A 132