USER MOD reduce.3.24.130724 H: found=0, std=0, add=1146, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1144 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 103 GLN :FLIP amide:sc= -1.13 F(o=-1.7,f=-1.2) USER MOD Set 1.2: A 106 GLN : amide:sc= 0 K(o=-1.2,f=-2.5!) USER MOD Set 1.3: A 111 GLN : amide:sc= -0.0342 K(o=-1.2,f=-2.8!) USER MOD Set 2.1: A 52 HIS :FLIP no HE2:sc= -0.239 F(o=-1.5,f=-0.24) USER MOD Set 2.2: A 79 TYR OH : rot 150:sc= 0 USER MOD Single : A 1 MET CE :methyl -138:sc= -0.144 (180deg=-0.85) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.0262 (180deg=-0.474) USER MOD Single : A 2 SER OG : rot 180:sc= -0.101 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0569 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -1.25 K(o=-1.3,f=-2.6!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0317 USER MOD Single : A 34 HIS : no HE2:sc= -2.53 K(o=-2.5,f=-7!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 160:sc= 0.038 USER MOD Single : A 48 MET CE :methyl 155:sc= -0.0939 (180deg=-0.92) USER MOD Single : A 53 ASN : amide:sc= -1.56! C(o=-1.6!,f=-3.7!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 173:sc= -4.12! (180deg=-4.66!) USER MOD Single : A 58 ASN : amide:sc= -0.762 X(o=-0.76,f=-1.2) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 63 ASN : amide:sc= -2.87 K(o=-2.9,f=-5.8!) USER MOD Single : A 68 TYR OH : rot 30:sc= -0.971 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -2.24! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.0287 K(o=-0.029,f=-0.81) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -170:sc= 0.0617 USER MOD Single : A 98 ASN : amide:sc= -0.482 K(o=-0.48,f=-1.9!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -136:sc= -1.41 (180deg=-1.95!) USER MOD Single : A 119 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.342) USER MOD Single : A 122 MET CE :methyl -154:sc= -0.174 (180deg=-1.07) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN : amide:sc= -3.85! C(o=-3.8!,f=-7!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 143 SER OG : rot -170:sc=-0.00936 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 91.869 11.744 -3.565 1.00 0.00 N ATOM 2 CA MET A 1 91.918 11.546 -5.046 1.00 0.00 C ATOM 3 C MET A 1 93.337 11.802 -5.557 1.00 0.00 C ATOM 4 O MET A 1 94.029 10.902 -5.988 1.00 0.00 O ATOM 5 CB MET A 1 90.966 12.590 -5.636 1.00 0.00 C ATOM 6 CG MET A 1 89.511 12.255 -5.289 1.00 0.00 C ATOM 7 SD MET A 1 88.427 13.522 -5.993 1.00 0.00 S ATOM 8 CE MET A 1 88.841 14.845 -4.824 1.00 0.00 C ATOM 0 H1 MET A 1 91.044 11.244 -3.175 1.00 0.00 H new ATOM 0 H2 MET A 1 92.738 11.367 -3.135 1.00 0.00 H new ATOM 0 H3 MET A 1 91.791 12.759 -3.353 1.00 0.00 H new ATOM 0 HA MET A 1 91.636 10.531 -5.326 1.00 0.00 H new ATOM 0 HB2 MET A 1 91.218 13.578 -5.251 1.00 0.00 H new ATOM 0 HB3 MET A 1 91.087 12.629 -6.719 1.00 0.00 H new ATOM 0 HG2 MET A 1 89.247 11.273 -5.683 1.00 0.00 H new ATOM 0 HG3 MET A 1 89.383 12.210 -4.207 1.00 0.00 H new ATOM 0 HE1 MET A 1 87.932 15.374 -4.536 1.00 0.00 H new ATOM 0 HE2 MET A 1 89.306 14.415 -3.937 1.00 0.00 H new ATOM 0 HE3 MET A 1 89.533 15.543 -5.295 1.00 0.00 H new ATOM 20 N SER A 2 93.767 13.034 -5.519 1.00 0.00 N ATOM 21 CA SER A 2 95.134 13.370 -6.009 1.00 0.00 C ATOM 22 C SER A 2 96.202 12.655 -5.172 1.00 0.00 C ATOM 23 O SER A 2 97.197 12.191 -5.690 1.00 0.00 O ATOM 24 CB SER A 2 95.246 14.885 -5.841 1.00 0.00 C ATOM 25 OG SER A 2 95.174 15.211 -4.459 1.00 0.00 O ATOM 0 H SER A 2 93.228 13.825 -5.168 1.00 0.00 H new ATOM 0 HA SER A 2 95.289 13.056 -7.041 1.00 0.00 H new ATOM 0 HB2 SER A 2 96.187 15.241 -6.262 1.00 0.00 H new ATOM 0 HB3 SER A 2 94.444 15.383 -6.386 1.00 0.00 H new ATOM 0 HG SER A 2 95.247 16.182 -4.348 1.00 0.00 H new ATOM 31 N LYS A 3 96.015 12.569 -3.884 1.00 0.00 N ATOM 32 CA LYS A 3 97.037 11.889 -3.030 1.00 0.00 C ATOM 33 C LYS A 3 97.156 10.406 -3.391 1.00 0.00 C ATOM 34 O LYS A 3 98.237 9.880 -3.544 1.00 0.00 O ATOM 35 CB LYS A 3 96.521 12.043 -1.604 1.00 0.00 C ATOM 36 CG LYS A 3 96.657 13.498 -1.159 1.00 0.00 C ATOM 37 CD LYS A 3 96.109 13.637 0.260 1.00 0.00 C ATOM 38 CE LYS A 3 96.319 15.068 0.753 1.00 0.00 C ATOM 39 NZ LYS A 3 95.767 15.073 2.134 1.00 0.00 N1+ ATOM 0 H LYS A 3 95.205 12.937 -3.385 1.00 0.00 H new ATOM 0 HA LYS A 3 98.028 12.322 -3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 3 95.478 11.732 -1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 3 97.082 11.394 -0.932 1.00 0.00 H new ATOM 0 HG2 LYS A 3 97.702 13.805 -1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 3 96.112 14.152 -1.839 1.00 0.00 H new ATOM 0 HD2 LYS A 3 95.048 13.388 0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 3 96.612 12.935 0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 3 97.375 15.339 0.747 1.00 0.00 H new ATOM 0 HE3 LYS A 3 95.802 15.786 0.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 95.872 16.022 2.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 94.759 14.817 2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 96.283 14.383 2.717 1.00 0.00 H new ATOM 53 N ILE A 4 96.054 9.730 -3.527 1.00 0.00 N ATOM 54 CA ILE A 4 96.116 8.281 -3.880 1.00 0.00 C ATOM 55 C ILE A 4 96.635 8.114 -5.311 1.00 0.00 C ATOM 56 O ILE A 4 97.150 7.076 -5.676 1.00 0.00 O ATOM 57 CB ILE A 4 94.684 7.739 -3.749 1.00 0.00 C ATOM 58 CG1 ILE A 4 93.724 8.523 -4.655 1.00 0.00 C ATOM 59 CG2 ILE A 4 94.219 7.843 -2.296 1.00 0.00 C ATOM 60 CD1 ILE A 4 92.345 7.873 -4.617 1.00 0.00 C ATOM 0 H ILE A 4 95.115 10.112 -3.411 1.00 0.00 H new ATOM 0 HA ILE A 4 96.795 7.736 -3.224 1.00 0.00 H new ATOM 0 HB ILE A 4 94.681 6.694 -4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 4 93.659 9.559 -4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 4 94.103 8.539 -5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 4 93.203 7.457 -2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 4 94.884 7.260 -1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 4 94.238 8.886 -1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 4 91.663 8.429 -5.260 1.00 0.00 H new ATOM 0 HD12 ILE A 4 92.418 6.844 -4.969 1.00 0.00 H new ATOM 0 HD13 ILE A 4 91.967 7.881 -3.595 1.00 0.00 H new ATOM 72 N GLU A 5 96.515 9.130 -6.122 1.00 0.00 N ATOM 73 CA GLU A 5 97.018 9.024 -7.523 1.00 0.00 C ATOM 74 C GLU A 5 98.535 8.819 -7.521 1.00 0.00 C ATOM 75 O GLU A 5 99.056 7.949 -8.188 1.00 0.00 O ATOM 76 CB GLU A 5 96.666 10.360 -8.171 1.00 0.00 C ATOM 77 CG GLU A 5 97.187 10.383 -9.608 1.00 0.00 C ATOM 78 CD GLU A 5 96.831 11.717 -10.274 1.00 0.00 C ATOM 79 OE1 GLU A 5 96.367 12.609 -9.578 1.00 0.00 O1- ATOM 80 OE2 GLU A 5 97.027 11.824 -11.472 1.00 0.00 O ATOM 0 H GLU A 5 96.092 10.025 -5.877 1.00 0.00 H new ATOM 0 HA GLU A 5 96.579 8.181 -8.057 1.00 0.00 H new ATOM 0 HB2 GLU A 5 95.586 10.507 -8.162 1.00 0.00 H new ATOM 0 HB3 GLU A 5 97.104 11.179 -7.601 1.00 0.00 H new ATOM 0 HG2 GLU A 5 98.268 10.241 -9.614 1.00 0.00 H new ATOM 0 HG3 GLU A 5 96.754 9.558 -10.174 1.00 0.00 H new ATOM 87 N GLU A 6 99.245 9.610 -6.762 1.00 0.00 N ATOM 88 CA GLU A 6 100.728 9.458 -6.699 1.00 0.00 C ATOM 89 C GLU A 6 101.183 9.448 -5.239 1.00 0.00 C ATOM 90 O GLU A 6 100.829 10.314 -4.464 1.00 0.00 O ATOM 91 CB GLU A 6 101.293 10.674 -7.434 1.00 0.00 C ATOM 92 CG GLU A 6 102.821 10.609 -7.418 1.00 0.00 C ATOM 93 CD GLU A 6 103.403 11.797 -8.193 1.00 0.00 C ATOM 94 OE1 GLU A 6 102.655 12.715 -8.492 1.00 0.00 O1- ATOM 95 OE2 GLU A 6 104.589 11.765 -8.476 1.00 0.00 O ATOM 0 H GLU A 6 98.862 10.356 -6.182 1.00 0.00 H new ATOM 0 HA GLU A 6 101.070 8.527 -7.151 1.00 0.00 H new ATOM 0 HB2 GLU A 6 100.929 10.694 -8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 6 100.952 11.593 -6.957 1.00 0.00 H new ATOM 0 HG2 GLU A 6 103.183 10.622 -6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 6 103.158 9.673 -7.863 1.00 0.00 H new ATOM 102 N PHE A 7 101.957 8.471 -4.856 1.00 0.00 N ATOM 103 CA PHE A 7 102.423 8.403 -3.442 1.00 0.00 C ATOM 104 C PHE A 7 103.234 9.650 -3.085 1.00 0.00 C ATOM 105 O PHE A 7 103.035 10.257 -2.052 1.00 0.00 O ATOM 106 CB PHE A 7 103.305 7.157 -3.379 1.00 0.00 C ATOM 107 CG PHE A 7 103.705 6.884 -1.948 1.00 0.00 C ATOM 108 CD1 PHE A 7 102.719 6.682 -0.977 1.00 0.00 C ATOM 109 CD2 PHE A 7 105.059 6.815 -1.595 1.00 0.00 C ATOM 110 CE1 PHE A 7 103.083 6.410 0.340 1.00 0.00 C ATOM 111 CE2 PHE A 7 105.423 6.544 -0.270 1.00 0.00 C ATOM 112 CZ PHE A 7 104.434 6.342 0.698 1.00 0.00 C ATOM 0 H PHE A 7 102.287 7.718 -5.459 1.00 0.00 H new ATOM 0 HA PHE A 7 101.593 8.356 -2.738 1.00 0.00 H new ATOM 0 HB2 PHE A 7 102.769 6.300 -3.786 1.00 0.00 H new ATOM 0 HB3 PHE A 7 104.194 7.298 -3.994 1.00 0.00 H new ATOM 0 HD1 PHE A 7 101.675 6.737 -1.248 1.00 0.00 H new ATOM 0 HD2 PHE A 7 105.821 6.971 -2.344 1.00 0.00 H new ATOM 0 HE1 PHE A 7 102.320 6.251 1.087 1.00 0.00 H new ATOM 0 HE2 PHE A 7 106.466 6.491 0.004 1.00 0.00 H new ATOM 0 HZ PHE A 7 104.713 6.134 1.720 1.00 0.00 H new ATOM 122 N LEU A 8 104.160 10.025 -3.927 1.00 0.00 N ATOM 123 CA LEU A 8 104.995 11.221 -3.626 1.00 0.00 C ATOM 124 C LEU A 8 105.114 12.125 -4.861 1.00 0.00 C ATOM 125 O LEU A 8 105.055 11.664 -5.983 1.00 0.00 O ATOM 126 CB LEU A 8 106.358 10.643 -3.248 1.00 0.00 C ATOM 127 CG LEU A 8 106.233 9.875 -1.930 1.00 0.00 C ATOM 128 CD1 LEU A 8 107.507 9.067 -1.684 1.00 0.00 C ATOM 129 CD2 LEU A 8 106.029 10.865 -0.781 1.00 0.00 C ATOM 0 H LEU A 8 104.373 9.556 -4.807 1.00 0.00 H new ATOM 0 HA LEU A 8 104.569 11.838 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 8 106.716 9.980 -4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 8 107.090 11.444 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 8 105.380 9.199 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 8 107.416 8.521 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 8 107.654 8.361 -2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 8 108.361 9.742 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 8 105.940 10.319 0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 8 106.882 11.542 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 8 105.120 11.441 -0.954 1.00 0.00 H new ATOM 141 N THR A 9 105.289 13.403 -4.669 1.00 0.00 N ATOM 142 CA THR A 9 105.419 14.315 -5.845 1.00 0.00 C ATOM 143 C THR A 9 106.839 14.238 -6.410 1.00 0.00 C ATOM 144 O THR A 9 107.738 13.718 -5.779 1.00 0.00 O ATOM 145 CB THR A 9 105.145 15.721 -5.306 1.00 0.00 C ATOM 146 OG1 THR A 9 106.164 16.082 -4.383 1.00 0.00 O ATOM 147 CG2 THR A 9 103.785 15.752 -4.608 1.00 0.00 C ATOM 0 H THR A 9 105.348 13.855 -3.756 1.00 0.00 H new ATOM 0 HA THR A 9 104.730 14.047 -6.646 1.00 0.00 H new ATOM 0 HB THR A 9 105.138 16.429 -6.134 1.00 0.00 H new ATOM 0 HG1 THR A 9 105.990 16.983 -4.039 1.00 0.00 H new ATOM 0 HG21 THR A 9 103.595 16.755 -4.226 1.00 0.00 H new ATOM 0 HG22 THR A 9 103.005 15.480 -5.319 1.00 0.00 H new ATOM 0 HG23 THR A 9 103.785 15.043 -3.780 1.00 0.00 H new ATOM 155 N ALA A 10 107.057 14.757 -7.591 1.00 0.00 N ATOM 156 CA ALA A 10 108.429 14.714 -8.184 1.00 0.00 C ATOM 157 C ALA A 10 109.421 15.340 -7.199 1.00 0.00 C ATOM 158 O ALA A 10 110.532 14.881 -7.029 1.00 0.00 O ATOM 159 CB ALA A 10 108.331 15.554 -9.459 1.00 0.00 C ATOM 0 H ALA A 10 106.348 15.207 -8.169 1.00 0.00 H new ATOM 0 HA ALA A 10 108.772 13.701 -8.396 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.300 15.574 -9.957 1.00 0.00 H new ATOM 0 HB2 ALA A 10 107.589 15.117 -10.127 1.00 0.00 H new ATOM 0 HB3 ALA A 10 108.034 16.571 -9.203 1.00 0.00 H new ATOM 165 N GLU A 11 109.001 16.380 -6.540 1.00 0.00 N ATOM 166 CA GLU A 11 109.876 17.058 -5.538 1.00 0.00 C ATOM 167 C GLU A 11 110.300 16.066 -4.449 1.00 0.00 C ATOM 168 O GLU A 11 111.452 15.992 -4.066 1.00 0.00 O ATOM 169 CB GLU A 11 108.972 18.133 -4.931 1.00 0.00 C ATOM 170 CG GLU A 11 108.615 19.163 -6.010 1.00 0.00 C ATOM 171 CD GLU A 11 107.604 20.177 -5.458 1.00 0.00 C ATOM 172 OE1 GLU A 11 107.237 20.062 -4.298 1.00 0.00 O1- ATOM 173 OE2 GLU A 11 107.208 21.050 -6.211 1.00 0.00 O ATOM 0 H GLU A 11 108.077 16.797 -6.652 1.00 0.00 H new ATOM 0 HA GLU A 11 110.787 17.462 -5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 11 108.065 17.679 -4.531 1.00 0.00 H new ATOM 0 HB3 GLU A 11 109.478 18.622 -4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 11 109.515 19.680 -6.342 1.00 0.00 H new ATOM 0 HG3 GLU A 11 108.197 18.658 -6.881 1.00 0.00 H new ATOM 180 N GLU A 12 109.366 15.308 -3.947 1.00 0.00 N ATOM 181 CA GLU A 12 109.685 14.321 -2.877 1.00 0.00 C ATOM 182 C GLU A 12 110.527 13.167 -3.423 1.00 0.00 C ATOM 183 O GLU A 12 111.479 12.734 -2.805 1.00 0.00 O ATOM 184 CB GLU A 12 108.322 13.821 -2.406 1.00 0.00 C ATOM 185 CG GLU A 12 107.599 14.958 -1.681 1.00 0.00 C ATOM 186 CD GLU A 12 106.153 14.559 -1.374 1.00 0.00 C ATOM 187 OE1 GLU A 12 105.791 13.427 -1.652 1.00 0.00 O1- ATOM 188 OE2 GLU A 12 105.429 15.398 -0.866 1.00 0.00 O ATOM 0 H GLU A 12 108.387 15.330 -4.234 1.00 0.00 H new ATOM 0 HA GLU A 12 110.270 14.763 -2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 12 107.731 13.481 -3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 12 108.444 12.967 -1.740 1.00 0.00 H new ATOM 0 HG2 GLU A 12 108.121 15.198 -0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 12 107.612 15.857 -2.297 1.00 0.00 H new ATOM 195 N GLU A 13 110.195 12.673 -4.584 1.00 0.00 N ATOM 196 CA GLU A 13 110.988 11.558 -5.172 1.00 0.00 C ATOM 197 C GLU A 13 112.417 12.026 -5.450 1.00 0.00 C ATOM 198 O GLU A 13 113.366 11.288 -5.292 1.00 0.00 O ATOM 199 CB GLU A 13 110.281 11.228 -6.485 1.00 0.00 C ATOM 200 CG GLU A 13 108.905 10.627 -6.195 1.00 0.00 C ATOM 201 CD GLU A 13 108.150 10.391 -7.510 1.00 0.00 C ATOM 202 OE1 GLU A 13 108.756 10.532 -8.562 1.00 0.00 O ATOM 203 OE2 GLU A 13 106.974 10.078 -7.441 1.00 0.00 O1- ATOM 0 H GLU A 13 109.409 12.993 -5.150 1.00 0.00 H new ATOM 0 HA GLU A 13 111.051 10.696 -4.508 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.174 12.130 -7.088 1.00 0.00 H new ATOM 0 HB3 GLU A 13 110.880 10.526 -7.065 1.00 0.00 H new ATOM 0 HG2 GLU A 13 109.016 9.686 -5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 13 108.334 11.297 -5.553 1.00 0.00 H new ATOM 210 N LYS A 14 112.578 13.244 -5.878 1.00 0.00 N ATOM 211 CA LYS A 14 113.947 13.746 -6.176 1.00 0.00 C ATOM 212 C LYS A 14 114.803 13.776 -4.901 1.00 0.00 C ATOM 213 O LYS A 14 115.953 13.384 -4.909 1.00 0.00 O ATOM 214 CB LYS A 14 113.732 15.161 -6.717 1.00 0.00 C ATOM 215 CG LYS A 14 115.060 15.732 -7.219 1.00 0.00 C ATOM 216 CD LYS A 14 114.825 17.127 -7.803 1.00 0.00 C ATOM 217 CE LYS A 14 116.147 17.695 -8.328 1.00 0.00 C ATOM 218 NZ LYS A 14 115.796 19.030 -8.890 1.00 0.00 N1+ ATOM 0 H LYS A 14 111.824 13.913 -6.034 1.00 0.00 H new ATOM 0 HA LYS A 14 114.475 13.109 -6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 14 113.004 15.143 -7.528 1.00 0.00 H new ATOM 0 HB3 LYS A 14 113.323 15.801 -5.935 1.00 0.00 H new ATOM 0 HG2 LYS A 14 115.778 15.784 -6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 14 115.487 15.076 -7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 14 114.094 17.076 -8.610 1.00 0.00 H new ATOM 0 HD3 LYS A 14 114.412 17.787 -7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 14 116.883 17.784 -7.529 1.00 0.00 H new ATOM 0 HE3 LYS A 14 116.580 17.047 -9.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 116.652 19.483 -9.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 115.098 18.913 -9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 115.392 19.627 -8.140 1.00 0.00 H new ATOM 232 N ALA A 15 114.263 14.261 -3.810 1.00 0.00 N ATOM 233 CA ALA A 15 115.073 14.335 -2.552 1.00 0.00 C ATOM 234 C ALA A 15 115.438 12.937 -2.025 1.00 0.00 C ATOM 235 O ALA A 15 116.559 12.698 -1.619 1.00 0.00 O ATOM 236 CB ALA A 15 114.190 15.075 -1.547 1.00 0.00 C ATOM 0 H ALA A 15 113.306 14.606 -3.735 1.00 0.00 H new ATOM 0 HA ALA A 15 116.021 14.845 -2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 15 114.718 15.168 -0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 15 113.956 16.068 -1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 15 113.266 14.517 -1.395 1.00 0.00 H new ATOM 242 N ILE A 16 114.513 12.016 -2.011 1.00 0.00 N ATOM 243 CA ILE A 16 114.834 10.655 -1.490 1.00 0.00 C ATOM 244 C ILE A 16 115.825 9.942 -2.425 1.00 0.00 C ATOM 245 O ILE A 16 116.718 9.242 -1.982 1.00 0.00 O ATOM 246 CB ILE A 16 113.483 9.935 -1.404 1.00 0.00 C ATOM 247 CG1 ILE A 16 113.647 8.617 -0.647 1.00 0.00 C ATOM 248 CG2 ILE A 16 112.943 9.658 -2.806 1.00 0.00 C ATOM 249 CD1 ILE A 16 112.268 8.099 -0.231 1.00 0.00 C ATOM 0 H ILE A 16 113.555 12.145 -2.335 1.00 0.00 H new ATOM 0 HA ILE A 16 115.322 10.678 -0.516 1.00 0.00 H new ATOM 0 HB ILE A 16 112.777 10.573 -0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 16 114.150 7.883 -1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 16 114.273 8.765 0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 16 111.983 9.146 -2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 16 112.812 10.600 -3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 16 113.648 9.029 -3.350 1.00 0.00 H new ATOM 0 HD11 ILE A 16 112.380 7.159 0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 16 111.783 8.832 0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 16 111.657 7.936 -1.119 1.00 0.00 H new ATOM 261 N VAL A 17 115.700 10.143 -3.709 1.00 0.00 N ATOM 262 CA VAL A 17 116.662 9.510 -4.660 1.00 0.00 C ATOM 263 C VAL A 17 118.062 10.056 -4.361 1.00 0.00 C ATOM 264 O VAL A 17 119.042 9.334 -4.386 1.00 0.00 O ATOM 265 CB VAL A 17 116.190 9.925 -6.056 1.00 0.00 C ATOM 266 CG1 VAL A 17 117.205 9.461 -7.101 1.00 0.00 C ATOM 267 CG2 VAL A 17 114.834 9.277 -6.348 1.00 0.00 C ATOM 0 H VAL A 17 114.976 10.717 -4.141 1.00 0.00 H new ATOM 0 HA VAL A 17 116.702 8.424 -4.577 1.00 0.00 H new ATOM 0 HB VAL A 17 116.096 11.010 -6.097 1.00 0.00 H new ATOM 0 HG11 VAL A 17 116.867 9.758 -8.094 1.00 0.00 H new ATOM 0 HG12 VAL A 17 118.173 9.918 -6.896 1.00 0.00 H new ATOM 0 HG13 VAL A 17 117.300 8.376 -7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 17 114.496 9.572 -7.342 1.00 0.00 H new ATOM 0 HG22 VAL A 17 114.932 8.192 -6.305 1.00 0.00 H new ATOM 0 HG23 VAL A 17 114.106 9.605 -5.606 1.00 0.00 H new ATOM 277 N ASP A 18 118.157 11.326 -4.067 1.00 0.00 N ATOM 278 CA ASP A 18 119.493 11.911 -3.752 1.00 0.00 C ATOM 279 C ASP A 18 120.055 11.249 -2.496 1.00 0.00 C ATOM 280 O ASP A 18 121.245 11.031 -2.380 1.00 0.00 O ATOM 281 CB ASP A 18 119.281 13.408 -3.555 1.00 0.00 C ATOM 282 CG ASP A 18 120.642 14.107 -3.549 1.00 0.00 C ATOM 283 OD1 ASP A 18 121.574 13.538 -3.003 1.00 0.00 O ATOM 284 OD2 ASP A 18 120.734 15.188 -4.103 1.00 0.00 O1- ATOM 0 H ASP A 18 117.374 11.979 -4.031 1.00 0.00 H new ATOM 0 HA ASP A 18 120.213 11.742 -4.553 1.00 0.00 H new ATOM 0 HB2 ASP A 18 118.656 13.808 -4.353 1.00 0.00 H new ATOM 0 HB3 ASP A 18 118.758 13.594 -2.617 1.00 0.00 H new ATOM 289 N ALA A 19 119.210 10.912 -1.562 1.00 0.00 N ATOM 290 CA ALA A 19 119.704 10.250 -0.323 1.00 0.00 C ATOM 291 C ALA A 19 120.340 8.896 -0.666 1.00 0.00 C ATOM 292 O ALA A 19 121.351 8.520 -0.105 1.00 0.00 O ATOM 293 CB ALA A 19 118.462 10.063 0.549 1.00 0.00 C ATOM 0 H ALA A 19 118.202 11.066 -1.603 1.00 0.00 H new ATOM 0 HA ALA A 19 120.469 10.837 0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 19 118.744 9.579 1.484 1.00 0.00 H new ATOM 0 HB2 ALA A 19 118.018 11.035 0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 19 117.738 9.441 0.022 1.00 0.00 H new ATOM 299 N ILE A 20 119.761 8.161 -1.580 1.00 0.00 N ATOM 300 CA ILE A 20 120.348 6.836 -1.947 1.00 0.00 C ATOM 301 C ILE A 20 121.741 7.034 -2.560 1.00 0.00 C ATOM 302 O ILE A 20 122.679 6.330 -2.238 1.00 0.00 O ATOM 303 CB ILE A 20 119.380 6.232 -2.970 1.00 0.00 C ATOM 304 CG1 ILE A 20 118.055 5.907 -2.277 1.00 0.00 C ATOM 305 CG2 ILE A 20 119.970 4.942 -3.552 1.00 0.00 C ATOM 306 CD1 ILE A 20 117.023 5.481 -3.322 1.00 0.00 C ATOM 0 H ILE A 20 118.913 8.418 -2.085 1.00 0.00 H new ATOM 0 HA ILE A 20 120.471 6.183 -1.083 1.00 0.00 H new ATOM 0 HB ILE A 20 119.216 6.949 -3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 20 118.200 5.110 -1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 20 117.695 6.778 -1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 20 119.275 4.519 -4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 20 120.917 5.164 -4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 20 120.137 4.224 -2.749 1.00 0.00 H new ATOM 0 HD11 ILE A 20 116.079 5.250 -2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 20 116.870 6.292 -4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 20 117.383 4.598 -3.849 1.00 0.00 H new ATOM 318 N ARG A 21 121.882 7.994 -3.432 1.00 0.00 N ATOM 319 CA ARG A 21 123.216 8.245 -4.054 1.00 0.00 C ATOM 320 C ARG A 21 124.256 8.592 -2.991 1.00 0.00 C ATOM 321 O ARG A 21 125.384 8.142 -3.041 1.00 0.00 O ATOM 322 CB ARG A 21 122.997 9.439 -4.984 1.00 0.00 C ATOM 323 CG ARG A 21 122.321 8.954 -6.271 1.00 0.00 C ATOM 324 CD ARG A 21 122.084 10.141 -7.206 1.00 0.00 C ATOM 325 NE ARG A 21 120.980 10.895 -6.574 1.00 0.00 N ATOM 326 CZ ARG A 21 120.774 12.148 -6.888 1.00 0.00 C ATOM 327 NH1 ARG A 21 121.711 13.038 -6.690 1.00 0.00 N1+ ATOM 328 NH2 ARG A 21 119.630 12.512 -7.399 1.00 0.00 N ATOM 0 H ARG A 21 121.134 8.615 -3.741 1.00 0.00 H new ATOM 0 HA ARG A 21 123.588 7.367 -4.582 1.00 0.00 H new ATOM 0 HB2 ARG A 21 122.377 10.189 -4.493 1.00 0.00 H new ATOM 0 HB3 ARG A 21 123.950 9.915 -5.216 1.00 0.00 H new ATOM 0 HG2 ARG A 21 122.946 8.209 -6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 21 121.374 8.469 -6.035 1.00 0.00 H new ATOM 0 HD2 ARG A 21 122.979 10.755 -7.303 1.00 0.00 H new ATOM 0 HD3 ARG A 21 121.815 9.809 -8.209 1.00 0.00 H new ATOM 0 HE ARG A 21 120.377 10.436 -5.891 1.00 0.00 H new ATOM 0 HH11 ARG A 21 122.606 12.756 -6.290 1.00 0.00 H new ATOM 0 HH12 ARG A 21 121.547 14.014 -6.936 1.00 0.00 H new ATOM 0 HH21 ARG A 21 118.897 11.820 -7.553 1.00 0.00 H new ATOM 0 HH22 ARG A 21 119.469 13.489 -7.644 1.00 0.00 H new ATOM 342 N ASP A 22 123.895 9.398 -2.035 1.00 0.00 N ATOM 343 CA ASP A 22 124.873 9.778 -0.981 1.00 0.00 C ATOM 344 C ASP A 22 125.303 8.543 -0.184 1.00 0.00 C ATOM 345 O ASP A 22 126.441 8.429 0.227 1.00 0.00 O ATOM 346 CB ASP A 22 124.131 10.771 -0.083 1.00 0.00 C ATOM 347 CG ASP A 22 125.095 11.370 0.949 1.00 0.00 C ATOM 348 OD1 ASP A 22 126.228 10.916 1.018 1.00 0.00 O1- ATOM 349 OD2 ASP A 22 124.684 12.278 1.651 1.00 0.00 O ATOM 0 H ASP A 22 122.967 9.810 -1.938 1.00 0.00 H new ATOM 0 HA ASP A 22 125.780 10.213 -1.400 1.00 0.00 H new ATOM 0 HB2 ASP A 22 123.695 11.565 -0.689 1.00 0.00 H new ATOM 0 HB3 ASP A 22 123.308 10.269 0.425 1.00 0.00 H new ATOM 354 N ALA A 23 124.406 7.621 0.048 1.00 0.00 N ATOM 355 CA ALA A 23 124.792 6.409 0.829 1.00 0.00 C ATOM 356 C ALA A 23 125.804 5.567 0.035 1.00 0.00 C ATOM 357 O ALA A 23 126.732 5.015 0.595 1.00 0.00 O ATOM 358 CB ALA A 23 123.492 5.642 1.077 1.00 0.00 C ATOM 0 H ALA A 23 123.436 7.653 -0.265 1.00 0.00 H new ATOM 0 HA ALA A 23 125.276 6.664 1.772 1.00 0.00 H new ATOM 0 HB1 ALA A 23 123.706 4.738 1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 23 122.800 6.270 1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.042 5.370 0.122 1.00 0.00 H new ATOM 364 N GLU A 24 125.631 5.449 -1.263 1.00 0.00 N ATOM 365 CA GLU A 24 126.593 4.628 -2.071 1.00 0.00 C ATOM 366 C GLU A 24 128.014 5.195 -1.969 1.00 0.00 C ATOM 367 O GLU A 24 128.980 4.517 -2.257 1.00 0.00 O ATOM 368 CB GLU A 24 126.099 4.721 -3.511 1.00 0.00 C ATOM 369 CG GLU A 24 124.693 4.129 -3.627 1.00 0.00 C ATOM 370 CD GLU A 24 124.196 4.251 -5.074 1.00 0.00 C ATOM 371 OE1 GLU A 24 124.983 4.633 -5.930 1.00 0.00 O ATOM 372 OE2 GLU A 24 123.033 3.967 -5.300 1.00 0.00 O1- ATOM 0 H GLU A 24 124.874 5.881 -1.793 1.00 0.00 H new ATOM 0 HA GLU A 24 126.633 3.599 -1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 24 126.091 5.762 -3.834 1.00 0.00 H new ATOM 0 HB3 GLU A 24 126.782 4.188 -4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 24 124.703 3.082 -3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 24 124.012 4.650 -2.954 1.00 0.00 H new ATOM 379 N LYS A 25 128.153 6.414 -1.520 1.00 0.00 N ATOM 380 CA LYS A 25 129.509 6.987 -1.356 1.00 0.00 C ATOM 381 C LYS A 25 129.981 6.793 0.100 1.00 0.00 C ATOM 382 O LYS A 25 131.103 7.105 0.436 1.00 0.00 O ATOM 383 CB LYS A 25 129.353 8.456 -1.700 1.00 0.00 C ATOM 384 CG LYS A 25 128.979 8.589 -3.175 1.00 0.00 C ATOM 385 CD LYS A 25 128.753 10.061 -3.489 1.00 0.00 C ATOM 386 CE LYS A 25 128.387 10.233 -4.967 1.00 0.00 C ATOM 387 NZ LYS A 25 128.194 11.702 -5.151 1.00 0.00 N1+ ATOM 0 H LYS A 25 127.384 7.032 -1.262 1.00 0.00 H new ATOM 0 HA LYS A 25 130.255 6.509 -1.991 1.00 0.00 H new ATOM 0 HB2 LYS A 25 128.583 8.908 -1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 25 130.282 8.990 -1.498 1.00 0.00 H new ATOM 0 HG2 LYS A 25 129.773 8.186 -3.804 1.00 0.00 H new ATOM 0 HG3 LYS A 25 128.078 8.014 -3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 25 127.955 10.457 -2.860 1.00 0.00 H new ATOM 0 HD3 LYS A 25 129.653 10.632 -3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 25 129.177 9.855 -5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 25 127.480 9.682 -5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 127.941 11.898 -6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 127.431 12.033 -4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 129.076 12.200 -4.914 1.00 0.00 H new ATOM 401 N ASN A 26 129.138 6.263 0.959 1.00 0.00 N ATOM 402 CA ASN A 26 129.543 6.024 2.364 1.00 0.00 C ATOM 403 C ASN A 26 129.791 4.517 2.578 1.00 0.00 C ATOM 404 O ASN A 26 130.419 4.112 3.533 1.00 0.00 O ATOM 405 CB ASN A 26 128.350 6.509 3.187 1.00 0.00 C ATOM 406 CG ASN A 26 128.659 6.368 4.672 1.00 0.00 C ATOM 407 OD1 ASN A 26 129.695 5.861 5.048 1.00 0.00 O ATOM 408 ND2 ASN A 26 127.800 6.798 5.544 1.00 0.00 N ATOM 0 H ASN A 26 128.182 5.987 0.735 1.00 0.00 H new ATOM 0 HA ASN A 26 130.463 6.538 2.643 1.00 0.00 H new ATOM 0 HB2 ASN A 26 128.131 7.550 2.949 1.00 0.00 H new ATOM 0 HB3 ASN A 26 127.462 5.930 2.934 1.00 0.00 H new ATOM 0 HD21 ASN A 26 127.997 6.709 6.541 1.00 0.00 H new ATOM 0 HD22 ASN A 26 126.928 7.225 5.233 1.00 0.00 H new ATOM 415 N THR A 27 129.303 3.686 1.684 1.00 0.00 N ATOM 416 CA THR A 27 129.513 2.215 1.820 1.00 0.00 C ATOM 417 C THR A 27 129.494 1.555 0.434 1.00 0.00 C ATOM 418 O THR A 27 128.976 2.107 -0.517 1.00 0.00 O ATOM 419 CB THR A 27 128.329 1.711 2.659 1.00 0.00 C ATOM 420 OG1 THR A 27 128.355 0.285 2.729 1.00 0.00 O ATOM 421 CG2 THR A 27 127.013 2.160 2.015 1.00 0.00 C ATOM 0 H THR A 27 128.767 3.969 0.864 1.00 0.00 H new ATOM 0 HA THR A 27 130.471 1.979 2.284 1.00 0.00 H new ATOM 0 HB THR A 27 128.406 2.125 3.664 1.00 0.00 H new ATOM 0 HG1 THR A 27 127.599 -0.030 3.267 1.00 0.00 H new ATOM 0 HG21 THR A 27 126.175 1.801 2.612 1.00 0.00 H new ATOM 0 HG22 THR A 27 126.984 3.249 1.967 1.00 0.00 H new ATOM 0 HG23 THR A 27 126.943 1.750 1.007 1.00 0.00 H new ATOM 429 N SER A 28 130.013 0.361 0.326 1.00 0.00 N ATOM 430 CA SER A 28 129.980 -0.351 -0.980 1.00 0.00 C ATOM 431 C SER A 28 128.665 -1.146 -1.111 1.00 0.00 C ATOM 432 O SER A 28 128.367 -1.685 -2.158 1.00 0.00 O ATOM 433 CB SER A 28 131.184 -1.292 -0.961 1.00 0.00 C ATOM 434 OG SER A 28 131.120 -2.115 0.197 1.00 0.00 O ATOM 0 H SER A 28 130.458 -0.151 1.088 1.00 0.00 H new ATOM 0 HA SER A 28 130.025 0.335 -1.826 1.00 0.00 H new ATOM 0 HB2 SER A 28 131.192 -1.909 -1.860 1.00 0.00 H new ATOM 0 HB3 SER A 28 132.110 -0.717 -0.961 1.00 0.00 H new ATOM 0 HG SER A 28 131.890 -2.721 0.211 1.00 0.00 H new ATOM 440 N GLY A 29 127.873 -1.216 -0.063 1.00 0.00 N ATOM 441 CA GLY A 29 126.594 -1.958 -0.143 1.00 0.00 C ATOM 442 C GLY A 29 125.621 -1.179 -1.021 1.00 0.00 C ATOM 443 O GLY A 29 125.875 -0.049 -1.392 1.00 0.00 O ATOM 0 H GLY A 29 128.068 -0.786 0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 29 126.761 -2.952 -0.557 1.00 0.00 H new ATOM 0 HA3 GLY A 29 126.175 -2.094 0.854 1.00 0.00 H new ATOM 447 N GLU A 30 124.516 -1.766 -1.361 1.00 0.00 N ATOM 448 CA GLU A 30 123.532 -1.046 -2.224 1.00 0.00 C ATOM 449 C GLU A 30 122.123 -1.096 -1.620 1.00 0.00 C ATOM 450 O GLU A 30 121.640 -2.131 -1.204 1.00 0.00 O ATOM 451 CB GLU A 30 123.584 -1.762 -3.576 1.00 0.00 C ATOM 452 CG GLU A 30 124.975 -1.582 -4.195 1.00 0.00 C ATOM 453 CD GLU A 30 125.227 -0.098 -4.492 1.00 0.00 C ATOM 454 OE1 GLU A 30 124.292 0.682 -4.386 1.00 0.00 O1- ATOM 455 OE2 GLU A 30 126.352 0.233 -4.825 1.00 0.00 O ATOM 0 H GLU A 30 124.246 -2.710 -1.084 1.00 0.00 H new ATOM 0 HA GLU A 30 123.775 0.012 -2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 30 123.366 -2.822 -3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 30 122.822 -1.359 -4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 30 125.737 -1.960 -3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 30 125.052 -2.164 -5.114 1.00 0.00 H new ATOM 462 N ILE A 31 121.464 0.040 -1.576 1.00 0.00 N ATOM 463 CA ILE A 31 120.083 0.109 -1.007 1.00 0.00 C ATOM 464 C ILE A 31 119.086 0.546 -2.090 1.00 0.00 C ATOM 465 O ILE A 31 119.330 1.476 -2.830 1.00 0.00 O ATOM 466 CB ILE A 31 120.157 1.159 0.101 1.00 0.00 C ATOM 467 CG1 ILE A 31 121.129 0.691 1.188 1.00 0.00 C ATOM 468 CG2 ILE A 31 118.769 1.355 0.710 1.00 0.00 C ATOM 469 CD1 ILE A 31 121.328 1.813 2.211 1.00 0.00 C ATOM 0 H ILE A 31 121.830 0.930 -1.914 1.00 0.00 H new ATOM 0 HA ILE A 31 119.746 -0.857 -0.630 1.00 0.00 H new ATOM 0 HB ILE A 31 120.508 2.102 -0.317 1.00 0.00 H new ATOM 0 HG12 ILE A 31 120.739 -0.200 1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 31 122.085 0.417 0.742 1.00 0.00 H new ATOM 0 HG21 ILE A 31 118.821 2.104 1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 31 118.077 1.690 -0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 31 118.418 0.411 1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 31 122.020 1.481 2.985 1.00 0.00 H new ATOM 0 HD12 ILE A 31 121.736 2.692 1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 31 120.370 2.066 2.665 1.00 0.00 H new ATOM 481 N ARG A 32 117.962 -0.118 -2.188 1.00 0.00 N ATOM 482 CA ARG A 32 116.954 0.268 -3.224 1.00 0.00 C ATOM 483 C ARG A 32 115.537 0.180 -2.640 1.00 0.00 C ATOM 484 O ARG A 32 115.263 -0.610 -1.758 1.00 0.00 O ATOM 485 CB ARG A 32 117.151 -0.733 -4.361 1.00 0.00 C ATOM 486 CG ARG A 32 116.254 -0.360 -5.542 1.00 0.00 C ATOM 487 CD ARG A 32 116.557 -1.291 -6.718 1.00 0.00 C ATOM 488 NE ARG A 32 115.805 -0.720 -7.871 1.00 0.00 N ATOM 489 CZ ARG A 32 115.889 -1.282 -9.050 1.00 0.00 C ATOM 490 NH1 ARG A 32 116.957 -1.959 -9.379 1.00 0.00 N ATOM 491 NH2 ARG A 32 114.912 -1.153 -9.906 1.00 0.00 N1+ ATOM 0 H ARG A 32 117.699 -0.908 -1.598 1.00 0.00 H new ATOM 0 HA ARG A 32 117.081 1.293 -3.571 1.00 0.00 H new ATOM 0 HB2 ARG A 32 118.195 -0.741 -4.674 1.00 0.00 H new ATOM 0 HB3 ARG A 32 116.914 -1.740 -4.016 1.00 0.00 H new ATOM 0 HG2 ARG A 32 115.205 -0.443 -5.258 1.00 0.00 H new ATOM 0 HG3 ARG A 32 116.425 0.677 -5.830 1.00 0.00 H new ATOM 0 HD2 ARG A 32 117.626 -1.329 -6.925 1.00 0.00 H new ATOM 0 HD3 ARG A 32 116.237 -2.311 -6.505 1.00 0.00 H new ATOM 0 HE ARG A 32 115.225 0.109 -7.741 1.00 0.00 H new ATOM 0 HH11 ARG A 32 117.727 -2.050 -8.716 1.00 0.00 H new ATOM 0 HH12 ARG A 32 117.021 -2.396 -10.298 1.00 0.00 H new ATOM 0 HH21 ARG A 32 114.083 -0.614 -9.656 1.00 0.00 H new ATOM 0 HH22 ARG A 32 114.978 -1.591 -10.825 1.00 0.00 H new ATOM 505 N VAL A 33 114.639 1.007 -3.114 1.00 0.00 N ATOM 506 CA VAL A 33 113.247 0.997 -2.574 1.00 0.00 C ATOM 507 C VAL A 33 112.232 0.617 -3.662 1.00 0.00 C ATOM 508 O VAL A 33 112.282 1.095 -4.780 1.00 0.00 O ATOM 509 CB VAL A 33 113.013 2.438 -2.074 1.00 0.00 C ATOM 510 CG1 VAL A 33 111.526 2.675 -1.750 1.00 0.00 C ATOM 511 CG2 VAL A 33 113.838 2.671 -0.808 1.00 0.00 C ATOM 0 H VAL A 33 114.811 1.689 -3.853 1.00 0.00 H new ATOM 0 HA VAL A 33 113.120 0.260 -1.781 1.00 0.00 H new ATOM 0 HB VAL A 33 113.315 3.129 -2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 33 111.388 3.698 -1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 33 110.928 2.515 -2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 33 111.208 1.980 -0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 33 113.676 3.688 -0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 33 113.531 1.963 -0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 33 114.895 2.529 -1.031 1.00 0.00 H new ATOM 521 N HIS A 34 111.288 -0.215 -3.314 1.00 0.00 N ATOM 522 CA HIS A 34 110.230 -0.612 -4.281 1.00 0.00 C ATOM 523 C HIS A 34 108.864 -0.260 -3.681 1.00 0.00 C ATOM 524 O HIS A 34 108.545 -0.629 -2.568 1.00 0.00 O ATOM 525 CB HIS A 34 110.387 -2.121 -4.464 1.00 0.00 C ATOM 526 CG HIS A 34 109.438 -2.607 -5.524 1.00 0.00 C ATOM 527 ND1 HIS A 34 109.867 -2.966 -6.791 1.00 0.00 N ATOM 528 CD2 HIS A 34 108.079 -2.797 -5.521 1.00 0.00 C ATOM 529 CE1 HIS A 34 108.784 -3.349 -7.493 1.00 0.00 C ATOM 530 NE2 HIS A 34 107.668 -3.265 -6.765 1.00 0.00 N ATOM 0 H HIS A 34 111.206 -0.640 -2.390 1.00 0.00 H new ATOM 0 HA HIS A 34 110.310 -0.101 -5.240 1.00 0.00 H new ATOM 0 HB2 HIS A 34 111.413 -2.358 -4.745 1.00 0.00 H new ATOM 0 HB3 HIS A 34 110.188 -2.633 -3.523 1.00 0.00 H new ATOM 0 HD1 HIS A 34 110.829 -2.944 -7.130 1.00 0.00 H new ATOM 0 HD2 HIS A 34 107.427 -2.611 -4.680 1.00 0.00 H new ATOM 0 HE1 HIS A 34 108.814 -3.683 -8.520 1.00 0.00 H new ATOM 538 N LEU A 35 108.077 0.481 -4.405 1.00 0.00 N ATOM 539 CA LEU A 35 106.744 0.909 -3.891 1.00 0.00 C ATOM 540 C LEU A 35 105.597 0.320 -4.711 1.00 0.00 C ATOM 541 O LEU A 35 105.600 0.331 -5.926 1.00 0.00 O ATOM 542 CB LEU A 35 106.747 2.427 -4.033 1.00 0.00 C ATOM 543 CG LEU A 35 105.471 2.986 -3.414 1.00 0.00 C ATOM 544 CD1 LEU A 35 105.467 2.698 -1.913 1.00 0.00 C ATOM 545 CD2 LEU A 35 105.410 4.495 -3.647 1.00 0.00 C ATOM 0 H LEU A 35 108.301 0.814 -5.343 1.00 0.00 H new ATOM 0 HA LEU A 35 106.591 0.569 -2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 35 107.622 2.850 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 35 106.809 2.707 -5.085 1.00 0.00 H new ATOM 0 HG LEU A 35 104.604 2.514 -3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 35 104.555 3.097 -1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.510 1.621 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.333 3.170 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.498 4.895 -3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.276 4.970 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.413 4.698 -4.718 1.00 0.00 H new ATOM 557 N GLU A 36 104.594 -0.159 -4.026 1.00 0.00 N ATOM 558 CA GLU A 36 103.392 -0.720 -4.703 1.00 0.00 C ATOM 559 C GLU A 36 102.174 -0.503 -3.800 1.00 0.00 C ATOM 560 O GLU A 36 102.294 -0.158 -2.640 1.00 0.00 O ATOM 561 CB GLU A 36 103.668 -2.204 -4.933 1.00 0.00 C ATOM 562 CG GLU A 36 102.487 -2.830 -5.678 1.00 0.00 C ATOM 563 CD GLU A 36 102.770 -4.310 -5.954 1.00 0.00 C ATOM 564 OE1 GLU A 36 103.916 -4.712 -5.826 1.00 0.00 O ATOM 565 OE2 GLU A 36 101.835 -5.016 -6.291 1.00 0.00 O1- ATOM 0 H GLU A 36 104.558 -0.185 -3.007 1.00 0.00 H new ATOM 0 HA GLU A 36 103.186 -0.236 -5.657 1.00 0.00 H new ATOM 0 HB2 GLU A 36 104.584 -2.330 -5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 36 103.820 -2.709 -3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 36 101.577 -2.729 -5.086 1.00 0.00 H new ATOM 0 HG3 GLU A 36 102.317 -2.302 -6.616 1.00 0.00 H new ATOM 572 N LYS A 37 101.000 -0.641 -4.351 1.00 0.00 N ATOM 573 CA LYS A 37 99.764 -0.380 -3.560 1.00 0.00 C ATOM 574 C LYS A 37 99.402 -1.558 -2.651 1.00 0.00 C ATOM 575 O LYS A 37 99.591 -1.498 -1.450 1.00 0.00 O ATOM 576 CB LYS A 37 98.681 -0.140 -4.612 1.00 0.00 C ATOM 577 CG LYS A 37 99.027 1.119 -5.412 1.00 0.00 C ATOM 578 CD LYS A 37 97.960 1.355 -6.483 1.00 0.00 C ATOM 579 CE LYS A 37 98.321 2.597 -7.302 1.00 0.00 C ATOM 580 NZ LYS A 37 97.238 2.715 -8.317 1.00 0.00 N1+ ATOM 0 H LYS A 37 100.843 -0.924 -5.318 1.00 0.00 H new ATOM 0 HA LYS A 37 99.888 0.468 -2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 37 98.607 -1.000 -5.278 1.00 0.00 H new ATOM 0 HB3 LYS A 37 97.709 -0.025 -4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 37 99.086 1.980 -4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 37 100.006 1.009 -5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 37 97.887 0.485 -7.136 1.00 0.00 H new ATOM 0 HD3 LYS A 37 96.984 1.486 -6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 37 98.370 3.485 -6.672 1.00 0.00 H new ATOM 0 HE3 LYS A 37 99.296 2.488 -7.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 97.415 3.545 -8.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 97.220 1.858 -8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 96.322 2.824 -7.836 1.00 0.00 H new ATOM 594 N THR A 38 98.887 -2.624 -3.206 1.00 0.00 N ATOM 595 CA THR A 38 98.526 -3.800 -2.362 1.00 0.00 C ATOM 596 C THR A 38 98.882 -5.092 -3.101 1.00 0.00 C ATOM 597 O THR A 38 98.948 -5.130 -4.314 1.00 0.00 O ATOM 598 CB THR A 38 97.016 -3.699 -2.149 1.00 0.00 C ATOM 599 OG1 THR A 38 96.565 -4.821 -1.405 1.00 0.00 O ATOM 600 CG2 THR A 38 96.311 -3.672 -3.506 1.00 0.00 C ATOM 0 H THR A 38 98.702 -2.731 -4.203 1.00 0.00 H new ATOM 0 HA THR A 38 99.062 -3.811 -1.413 1.00 0.00 H new ATOM 0 HB THR A 38 96.788 -2.785 -1.601 1.00 0.00 H new ATOM 0 HG1 THR A 38 95.597 -4.755 -1.267 1.00 0.00 H new ATOM 0 HG21 THR A 38 95.234 -3.600 -3.355 1.00 0.00 H new ATOM 0 HG22 THR A 38 96.656 -2.811 -4.078 1.00 0.00 H new ATOM 0 HG23 THR A 38 96.540 -4.586 -4.053 1.00 0.00 H new ATOM 608 N SER A 39 99.111 -6.149 -2.373 1.00 0.00 N ATOM 609 CA SER A 39 99.461 -7.444 -3.017 1.00 0.00 C ATOM 610 C SER A 39 98.278 -8.414 -2.955 1.00 0.00 C ATOM 611 O SER A 39 97.306 -8.175 -2.265 1.00 0.00 O ATOM 612 CB SER A 39 100.643 -7.978 -2.208 1.00 0.00 C ATOM 613 OG SER A 39 100.347 -7.877 -0.822 1.00 0.00 O ATOM 0 H SER A 39 99.070 -6.171 -1.354 1.00 0.00 H new ATOM 0 HA SER A 39 99.708 -7.326 -4.072 1.00 0.00 H new ATOM 0 HB2 SER A 39 100.842 -9.016 -2.475 1.00 0.00 H new ATOM 0 HB3 SER A 39 101.544 -7.411 -2.441 1.00 0.00 H new ATOM 0 HG SER A 39 100.925 -8.487 -0.319 1.00 0.00 H new ATOM 619 N GLU A 40 98.348 -9.504 -3.665 1.00 0.00 N ATOM 620 CA GLU A 40 97.223 -10.486 -3.639 1.00 0.00 C ATOM 621 C GLU A 40 97.633 -11.765 -2.901 1.00 0.00 C ATOM 622 O GLU A 40 96.798 -12.536 -2.472 1.00 0.00 O ATOM 623 CB GLU A 40 96.920 -10.788 -5.106 1.00 0.00 C ATOM 624 CG GLU A 40 96.384 -9.523 -5.780 1.00 0.00 C ATOM 625 CD GLU A 40 95.067 -9.110 -5.118 1.00 0.00 C ATOM 626 OE1 GLU A 40 94.457 -9.952 -4.479 1.00 0.00 O ATOM 627 OE2 GLU A 40 94.693 -7.958 -5.260 1.00 0.00 O1- ATOM 0 H GLU A 40 99.134 -9.760 -4.263 1.00 0.00 H new ATOM 0 HA GLU A 40 96.353 -10.090 -3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 40 97.822 -11.130 -5.613 1.00 0.00 H new ATOM 0 HB3 GLU A 40 96.188 -11.592 -5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 40 97.113 -8.717 -5.697 1.00 0.00 H new ATOM 0 HG3 GLU A 40 96.228 -9.703 -6.844 1.00 0.00 H new ATOM 634 N ILE A 41 98.907 -11.998 -2.742 1.00 0.00 N ATOM 635 CA ILE A 41 99.350 -13.231 -2.023 1.00 0.00 C ATOM 636 C ILE A 41 100.048 -12.845 -0.702 1.00 0.00 C ATOM 637 O ILE A 41 99.466 -12.148 0.105 1.00 0.00 O ATOM 638 CB ILE A 41 100.285 -13.942 -3.007 1.00 0.00 C ATOM 639 CG1 ILE A 41 101.423 -12.997 -3.421 1.00 0.00 C ATOM 640 CG2 ILE A 41 99.500 -14.362 -4.249 1.00 0.00 C ATOM 641 CD1 ILE A 41 102.525 -13.807 -4.108 1.00 0.00 C ATOM 0 H ILE A 41 99.658 -11.394 -3.076 1.00 0.00 H new ATOM 0 HA ILE A 41 98.528 -13.887 -1.736 1.00 0.00 H new ATOM 0 HB ILE A 41 100.705 -14.824 -2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 41 101.046 -12.228 -4.095 1.00 0.00 H new ATOM 0 HG13 ILE A 41 101.823 -12.485 -2.546 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.167 -14.867 -4.947 1.00 0.00 H new ATOM 0 HG22 ILE A 41 98.697 -15.039 -3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 41 99.076 -13.479 -4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 41 103.335 -13.141 -4.404 1.00 0.00 H new ATOM 0 HD12 ILE A 41 102.907 -14.559 -3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 41 102.118 -14.298 -4.992 1.00 0.00 H new ATOM 653 N ASP A 42 101.278 -13.254 -0.467 1.00 0.00 N ATOM 654 CA ASP A 42 101.947 -12.860 0.800 1.00 0.00 C ATOM 655 C ASP A 42 103.096 -11.894 0.499 1.00 0.00 C ATOM 656 O ASP A 42 103.837 -12.067 -0.449 1.00 0.00 O ATOM 657 CB ASP A 42 102.444 -14.164 1.421 1.00 0.00 C ATOM 658 CG ASP A 42 101.248 -14.966 1.956 1.00 0.00 C ATOM 659 OD1 ASP A 42 100.172 -14.395 2.074 1.00 0.00 O ATOM 660 OD2 ASP A 42 101.430 -16.137 2.241 1.00 0.00 O1- ATOM 0 H ASP A 42 101.833 -13.836 -1.095 1.00 0.00 H new ATOM 0 HA ASP A 42 101.279 -12.339 1.486 1.00 0.00 H new ATOM 0 HB2 ASP A 42 102.985 -14.750 0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 42 103.143 -13.951 2.230 1.00 0.00 H new ATOM 665 N VAL A 43 103.215 -10.859 1.280 1.00 0.00 N ATOM 666 CA VAL A 43 104.278 -9.839 1.037 1.00 0.00 C ATOM 667 C VAL A 43 105.695 -10.420 1.165 1.00 0.00 C ATOM 668 O VAL A 43 106.548 -10.153 0.347 1.00 0.00 O ATOM 669 CB VAL A 43 104.049 -8.772 2.107 1.00 0.00 C ATOM 670 CG1 VAL A 43 105.080 -7.656 1.941 1.00 0.00 C ATOM 671 CG2 VAL A 43 102.640 -8.193 1.963 1.00 0.00 C ATOM 0 H VAL A 43 102.617 -10.672 2.085 1.00 0.00 H new ATOM 0 HA VAL A 43 104.213 -9.449 0.021 1.00 0.00 H new ATOM 0 HB VAL A 43 104.154 -9.221 3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 43 104.918 -6.894 2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 43 106.083 -8.069 2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 43 104.975 -7.208 0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 43 102.479 -7.432 2.727 1.00 0.00 H new ATOM 0 HG22 VAL A 43 102.530 -7.744 0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 43 101.905 -8.989 2.083 1.00 0.00 H new ATOM 681 N PHE A 44 105.963 -11.197 2.180 1.00 0.00 N ATOM 682 CA PHE A 44 107.339 -11.768 2.328 1.00 0.00 C ATOM 683 C PHE A 44 107.691 -12.633 1.110 1.00 0.00 C ATOM 684 O PHE A 44 108.746 -12.486 0.525 1.00 0.00 O ATOM 685 CB PHE A 44 107.294 -12.619 3.599 1.00 0.00 C ATOM 686 CG PHE A 44 108.671 -13.185 3.875 1.00 0.00 C ATOM 687 CD1 PHE A 44 109.619 -12.418 4.566 1.00 0.00 C ATOM 688 CD2 PHE A 44 109.000 -14.476 3.440 1.00 0.00 C ATOM 689 CE1 PHE A 44 110.894 -12.940 4.818 1.00 0.00 C ATOM 690 CE2 PHE A 44 110.276 -14.998 3.693 1.00 0.00 C ATOM 691 CZ PHE A 44 111.223 -14.229 4.383 1.00 0.00 C ATOM 0 H PHE A 44 105.299 -11.461 2.908 1.00 0.00 H new ATOM 0 HA PHE A 44 108.098 -10.989 2.393 1.00 0.00 H new ATOM 0 HB2 PHE A 44 106.962 -12.015 4.443 1.00 0.00 H new ATOM 0 HB3 PHE A 44 106.573 -13.428 3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 44 109.366 -11.424 4.904 1.00 0.00 H new ATOM 0 HD2 PHE A 44 108.270 -15.069 2.909 1.00 0.00 H new ATOM 0 HE1 PHE A 44 111.624 -12.347 5.349 1.00 0.00 H new ATOM 0 HE2 PHE A 44 110.529 -15.992 3.356 1.00 0.00 H new ATOM 0 HZ PHE A 44 112.206 -14.631 4.579 1.00 0.00 H new ATOM 701 N ASP A 45 106.810 -13.502 0.696 1.00 0.00 N ATOM 702 CA ASP A 45 107.107 -14.329 -0.512 1.00 0.00 C ATOM 703 C ASP A 45 107.047 -13.434 -1.757 1.00 0.00 C ATOM 704 O ASP A 45 107.859 -13.550 -2.653 1.00 0.00 O ATOM 705 CB ASP A 45 105.998 -15.385 -0.553 1.00 0.00 C ATOM 706 CG ASP A 45 106.372 -16.573 0.342 1.00 0.00 C ATOM 707 OD1 ASP A 45 107.504 -16.621 0.800 1.00 0.00 O ATOM 708 OD2 ASP A 45 105.515 -17.413 0.557 1.00 0.00 O1- ATOM 0 H ASP A 45 105.906 -13.676 1.135 1.00 0.00 H new ATOM 0 HA ASP A 45 108.095 -14.789 -0.482 1.00 0.00 H new ATOM 0 HB2 ASP A 45 105.057 -14.949 -0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 45 105.846 -15.725 -1.577 1.00 0.00 H new ATOM 713 N ARG A 46 106.092 -12.548 -1.823 1.00 0.00 N ATOM 714 CA ARG A 46 105.979 -11.654 -3.013 1.00 0.00 C ATOM 715 C ARG A 46 107.215 -10.753 -3.140 1.00 0.00 C ATOM 716 O ARG A 46 107.746 -10.584 -4.220 1.00 0.00 O ATOM 717 CB ARG A 46 104.726 -10.813 -2.774 1.00 0.00 C ATOM 718 CG ARG A 46 104.441 -9.990 -4.030 1.00 0.00 C ATOM 719 CD ARG A 46 103.238 -9.069 -3.788 1.00 0.00 C ATOM 720 NE ARG A 46 102.916 -8.488 -5.126 1.00 0.00 N ATOM 721 CZ ARG A 46 103.674 -7.563 -5.670 1.00 0.00 C ATOM 722 NH1 ARG A 46 104.759 -7.136 -5.079 1.00 0.00 N ATOM 723 NH2 ARG A 46 103.331 -7.043 -6.817 1.00 0.00 N1+ ATOM 0 H ARG A 46 105.383 -12.403 -1.104 1.00 0.00 H new ATOM 0 HA ARG A 46 105.914 -12.226 -3.938 1.00 0.00 H new ATOM 0 HB2 ARG A 46 103.877 -11.457 -2.543 1.00 0.00 H new ATOM 0 HB3 ARG A 46 104.870 -10.156 -1.916 1.00 0.00 H new ATOM 0 HG2 ARG A 46 105.317 -9.397 -4.294 1.00 0.00 H new ATOM 0 HG3 ARG A 46 104.239 -10.653 -4.872 1.00 0.00 H new ATOM 0 HD2 ARG A 46 102.391 -9.625 -3.386 1.00 0.00 H new ATOM 0 HD3 ARG A 46 103.479 -8.288 -3.067 1.00 0.00 H new ATOM 0 HE ARG A 46 102.091 -8.816 -5.628 1.00 0.00 H new ATOM 0 HH11 ARG A 46 105.033 -7.522 -4.176 1.00 0.00 H new ATOM 0 HH12 ARG A 46 105.331 -6.417 -5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 46 102.480 -7.355 -7.284 1.00 0.00 H new ATOM 0 HH22 ARG A 46 103.914 -6.324 -7.246 1.00 0.00 H new ATOM 737 N ALA A 47 107.696 -10.179 -2.064 1.00 0.00 N ATOM 738 CA ALA A 47 108.906 -9.310 -2.174 1.00 0.00 C ATOM 739 C ALA A 47 110.104 -10.158 -2.606 1.00 0.00 C ATOM 740 O ALA A 47 110.921 -9.726 -3.388 1.00 0.00 O ATOM 741 CB ALA A 47 109.118 -8.705 -0.785 1.00 0.00 C ATOM 0 H ALA A 47 107.308 -10.274 -1.126 1.00 0.00 H new ATOM 0 HA ALA A 47 108.787 -8.522 -2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 47 109.993 -8.056 -0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 47 108.240 -8.124 -0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 47 109.272 -9.504 -0.060 1.00 0.00 H new ATOM 747 N MET A 48 110.199 -11.374 -2.136 1.00 0.00 N ATOM 748 CA MET A 48 111.329 -12.244 -2.575 1.00 0.00 C ATOM 749 C MET A 48 111.234 -12.456 -4.087 1.00 0.00 C ATOM 750 O MET A 48 112.220 -12.400 -4.792 1.00 0.00 O ATOM 751 CB MET A 48 111.144 -13.572 -1.837 1.00 0.00 C ATOM 752 CG MET A 48 112.274 -14.532 -2.220 1.00 0.00 C ATOM 753 SD MET A 48 112.082 -16.092 -1.320 1.00 0.00 S ATOM 754 CE MET A 48 110.609 -16.686 -2.189 1.00 0.00 C ATOM 0 H MET A 48 109.550 -11.799 -1.474 1.00 0.00 H new ATOM 0 HA MET A 48 112.303 -11.806 -2.355 1.00 0.00 H new ATOM 0 HB2 MET A 48 111.144 -13.405 -0.760 1.00 0.00 H new ATOM 0 HB3 MET A 48 110.179 -14.010 -2.091 1.00 0.00 H new ATOM 0 HG2 MET A 48 112.259 -14.717 -3.294 1.00 0.00 H new ATOM 0 HG3 MET A 48 113.240 -14.083 -1.987 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.565 -17.774 -2.130 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.718 -16.261 -1.727 1.00 0.00 H new ATOM 0 HE3 MET A 48 110.656 -16.381 -3.234 1.00 0.00 H new ATOM 764 N ASP A 49 110.055 -12.678 -4.596 1.00 0.00 N ATOM 765 CA ASP A 49 109.918 -12.867 -6.067 1.00 0.00 C ATOM 766 C ASP A 49 110.321 -11.579 -6.794 1.00 0.00 C ATOM 767 O ASP A 49 111.041 -11.601 -7.772 1.00 0.00 O ATOM 768 CB ASP A 49 108.443 -13.195 -6.298 1.00 0.00 C ATOM 769 CG ASP A 49 108.207 -13.481 -7.781 1.00 0.00 C ATOM 770 OD1 ASP A 49 108.940 -14.288 -8.332 1.00 0.00 O1- ATOM 771 OD2 ASP A 49 107.298 -12.892 -8.341 1.00 0.00 O ATOM 0 H ASP A 49 109.187 -12.736 -4.063 1.00 0.00 H new ATOM 0 HA ASP A 49 110.561 -13.660 -6.449 1.00 0.00 H new ATOM 0 HB2 ASP A 49 108.154 -14.060 -5.700 1.00 0.00 H new ATOM 0 HB3 ASP A 49 107.820 -12.361 -5.974 1.00 0.00 H new ATOM 776 N VAL A 50 109.867 -10.455 -6.308 1.00 0.00 N ATOM 777 CA VAL A 50 110.222 -9.148 -6.941 1.00 0.00 C ATOM 778 C VAL A 50 111.718 -8.851 -6.761 1.00 0.00 C ATOM 779 O VAL A 50 112.386 -8.422 -7.680 1.00 0.00 O ATOM 780 CB VAL A 50 109.363 -8.115 -6.206 1.00 0.00 C ATOM 781 CG1 VAL A 50 109.702 -6.711 -6.703 1.00 0.00 C ATOM 782 CG2 VAL A 50 107.882 -8.405 -6.461 1.00 0.00 C ATOM 0 H VAL A 50 109.259 -10.384 -5.492 1.00 0.00 H new ATOM 0 HA VAL A 50 110.037 -9.141 -8.015 1.00 0.00 H new ATOM 0 HB VAL A 50 109.566 -8.176 -5.137 1.00 0.00 H new ATOM 0 HG11 VAL A 50 109.088 -5.980 -6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 50 110.755 -6.503 -6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 50 109.505 -6.646 -7.773 1.00 0.00 H new ATOM 0 HG21 VAL A 50 107.272 -7.669 -5.937 1.00 0.00 H new ATOM 0 HG22 VAL A 50 107.679 -8.350 -7.531 1.00 0.00 H new ATOM 0 HG23 VAL A 50 107.639 -9.403 -6.097 1.00 0.00 H new ATOM 792 N PHE A 51 112.249 -9.074 -5.592 1.00 0.00 N ATOM 793 CA PHE A 51 113.702 -8.804 -5.361 1.00 0.00 C ATOM 794 C PHE A 51 114.549 -9.655 -6.310 1.00 0.00 C ATOM 795 O PHE A 51 115.448 -9.158 -6.961 1.00 0.00 O ATOM 796 CB PHE A 51 113.938 -9.210 -3.903 1.00 0.00 C ATOM 797 CG PHE A 51 115.374 -8.953 -3.508 1.00 0.00 C ATOM 798 CD1 PHE A 51 115.855 -7.646 -3.465 1.00 0.00 C ATOM 799 CD2 PHE A 51 116.214 -10.016 -3.174 1.00 0.00 C ATOM 800 CE1 PHE A 51 117.181 -7.393 -3.089 1.00 0.00 C ATOM 801 CE2 PHE A 51 117.541 -9.768 -2.795 1.00 0.00 C ATOM 802 CZ PHE A 51 118.024 -8.456 -2.752 1.00 0.00 C ATOM 0 H PHE A 51 111.742 -9.432 -4.783 1.00 0.00 H new ATOM 0 HA PHE A 51 113.976 -7.765 -5.545 1.00 0.00 H new ATOM 0 HB2 PHE A 51 113.269 -8.649 -3.250 1.00 0.00 H new ATOM 0 HB3 PHE A 51 113.701 -10.266 -3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 51 115.203 -6.824 -3.723 1.00 0.00 H new ATOM 0 HD2 PHE A 51 115.842 -11.029 -3.207 1.00 0.00 H new ATOM 0 HE1 PHE A 51 117.551 -6.379 -3.060 1.00 0.00 H new ATOM 0 HE2 PHE A 51 118.191 -10.591 -2.536 1.00 0.00 H new ATOM 0 HZ PHE A 51 119.046 -8.265 -2.459 1.00 0.00 H new ATOM 812 N HIS A 52 114.265 -10.921 -6.418 1.00 0.00 N ATOM 813 CA HIS A 52 115.051 -11.774 -7.354 1.00 0.00 C ATOM 814 C HIS A 52 114.619 -11.476 -8.798 1.00 0.00 C ATOM 815 O HIS A 52 115.424 -11.496 -9.708 1.00 0.00 O ATOM 816 CB HIS A 52 114.752 -13.215 -6.941 1.00 0.00 C ATOM 817 CG HIS A 52 115.387 -13.491 -5.599 1.00 0.00 C ATOM 818 ND1 HIS A 52 115.080 -13.068 -4.324 1.00 0.00 N flip ATOM 819 CD2 HIS A 52 116.504 -14.301 -5.463 1.00 0.00 C flip ATOM 820 CE1 HIS A 52 115.985 -13.610 -3.418 1.00 0.00 C flip ATOM 821 NE2 HIS A 52 116.820 -14.343 -4.154 1.00 0.00 N flip ATOM 0 H HIS A 52 113.527 -11.402 -5.903 1.00 0.00 H new ATOM 0 HA HIS A 52 116.124 -11.585 -7.309 1.00 0.00 H new ATOM 0 HB2 HIS A 52 113.675 -13.374 -6.886 1.00 0.00 H new ATOM 0 HB3 HIS A 52 115.139 -13.908 -7.689 1.00 0.00 H new ATOM 0 HD1 HIS A 52 114.305 -12.450 -4.081 1.00 0.00 H new ATOM 0 HD2 HIS A 52 117.026 -14.807 -6.262 1.00 0.00 H new ATOM 0 HE1 HIS A 52 116.007 -13.468 -2.348 1.00 0.00 H new ATOM 829 N ASN A 53 113.362 -11.180 -9.017 1.00 0.00 N ATOM 830 CA ASN A 53 112.913 -10.861 -10.408 1.00 0.00 C ATOM 831 C ASN A 53 113.649 -9.609 -10.899 1.00 0.00 C ATOM 832 O ASN A 53 114.022 -9.509 -12.051 1.00 0.00 O ATOM 833 CB ASN A 53 111.406 -10.611 -10.319 1.00 0.00 C ATOM 834 CG ASN A 53 110.869 -10.236 -11.706 1.00 0.00 C ATOM 835 OD1 ASN A 53 111.628 -9.966 -12.616 1.00 0.00 O ATOM 836 ND2 ASN A 53 109.582 -10.211 -11.908 1.00 0.00 N ATOM 0 H ASN A 53 112.635 -11.145 -8.303 1.00 0.00 H new ATOM 0 HA ASN A 53 113.128 -11.667 -11.110 1.00 0.00 H new ATOM 0 HB2 ASN A 53 110.899 -11.503 -9.950 1.00 0.00 H new ATOM 0 HB3 ASN A 53 111.200 -9.810 -9.609 1.00 0.00 H new ATOM 0 HD21 ASN A 53 109.215 -9.965 -12.827 1.00 0.00 H new ATOM 0 HD22 ASN A 53 108.942 -10.437 -11.147 1.00 0.00 H new ATOM 843 N LEU A 54 113.885 -8.662 -10.025 1.00 0.00 N ATOM 844 CA LEU A 54 114.630 -7.434 -10.437 1.00 0.00 C ATOM 845 C LEU A 54 116.145 -7.711 -10.438 1.00 0.00 C ATOM 846 O LEU A 54 116.938 -6.828 -10.698 1.00 0.00 O ATOM 847 CB LEU A 54 114.290 -6.377 -9.388 1.00 0.00 C ATOM 848 CG LEU A 54 112.804 -6.030 -9.464 1.00 0.00 C ATOM 849 CD1 LEU A 54 112.420 -5.181 -8.253 1.00 0.00 C ATOM 850 CD2 LEU A 54 112.526 -5.240 -10.745 1.00 0.00 C ATOM 0 H LEU A 54 113.595 -8.686 -9.047 1.00 0.00 H new ATOM 0 HA LEU A 54 114.356 -7.111 -11.441 1.00 0.00 H new ATOM 0 HB2 LEU A 54 114.536 -6.747 -8.393 1.00 0.00 H new ATOM 0 HB3 LEU A 54 114.890 -5.482 -9.552 1.00 0.00 H new ATOM 0 HG LEU A 54 112.217 -6.949 -9.470 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.360 -4.932 -8.305 1.00 0.00 H new ATOM 0 HD12 LEU A 54 112.617 -5.741 -7.339 1.00 0.00 H new ATOM 0 HD13 LEU A 54 113.009 -4.264 -8.250 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.466 -4.993 -10.797 1.00 0.00 H new ATOM 0 HD22 LEU A 54 113.112 -4.321 -10.740 1.00 0.00 H new ATOM 0 HD23 LEU A 54 112.802 -5.842 -11.611 1.00 0.00 H new ATOM 862 N LYS A 55 116.552 -8.928 -10.153 1.00 0.00 N ATOM 863 CA LYS A 55 117.993 -9.270 -10.146 1.00 0.00 C ATOM 864 C LYS A 55 118.791 -8.359 -9.211 1.00 0.00 C ATOM 865 O LYS A 55 119.940 -8.063 -9.467 1.00 0.00 O ATOM 866 CB LYS A 55 118.452 -9.099 -11.592 1.00 0.00 C ATOM 867 CG LYS A 55 117.769 -10.143 -12.479 1.00 0.00 C ATOM 868 CD LYS A 55 118.231 -9.949 -13.923 1.00 0.00 C ATOM 869 CE LYS A 55 117.552 -10.976 -14.829 1.00 0.00 C ATOM 870 NZ LYS A 55 118.110 -10.711 -16.184 1.00 0.00 N1+ ATOM 0 H LYS A 55 115.929 -9.702 -9.923 1.00 0.00 H new ATOM 0 HA LYS A 55 118.156 -10.283 -9.778 1.00 0.00 H new ATOM 0 HB2 LYS A 55 118.211 -8.096 -11.944 1.00 0.00 H new ATOM 0 HB3 LYS A 55 119.535 -9.207 -11.655 1.00 0.00 H new ATOM 0 HG2 LYS A 55 118.016 -11.148 -12.136 1.00 0.00 H new ATOM 0 HG3 LYS A 55 116.686 -10.042 -12.414 1.00 0.00 H new ATOM 0 HD2 LYS A 55 117.991 -8.940 -14.258 1.00 0.00 H new ATOM 0 HD3 LYS A 55 119.314 -10.056 -13.985 1.00 0.00 H new ATOM 0 HE2 LYS A 55 117.767 -11.994 -14.504 1.00 0.00 H new ATOM 0 HE3 LYS A 55 116.468 -10.860 -14.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 117.694 -11.376 -16.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 117.884 -9.736 -16.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 119.142 -10.836 -16.165 1.00 0.00 H new ATOM 884 N MET A 56 118.207 -7.926 -8.118 1.00 0.00 N ATOM 885 CA MET A 56 118.983 -7.061 -7.180 1.00 0.00 C ATOM 886 C MET A 56 120.131 -7.871 -6.560 1.00 0.00 C ATOM 887 O MET A 56 121.041 -7.314 -5.980 1.00 0.00 O ATOM 888 CB MET A 56 118.008 -6.588 -6.115 1.00 0.00 C ATOM 889 CG MET A 56 117.020 -5.597 -6.734 1.00 0.00 C ATOM 890 SD MET A 56 115.866 -5.015 -5.467 1.00 0.00 S ATOM 891 CE MET A 56 117.063 -4.106 -4.456 1.00 0.00 C ATOM 0 H MET A 56 117.247 -8.130 -7.841 1.00 0.00 H new ATOM 0 HA MET A 56 119.427 -6.207 -7.692 1.00 0.00 H new ATOM 0 HB2 MET A 56 117.471 -7.438 -5.694 1.00 0.00 H new ATOM 0 HB3 MET A 56 118.549 -6.115 -5.295 1.00 0.00 H new ATOM 0 HG2 MET A 56 117.558 -4.753 -7.165 1.00 0.00 H new ATOM 0 HG3 MET A 56 116.473 -6.074 -7.547 1.00 0.00 H new ATOM 0 HE1 MET A 56 116.537 -3.557 -3.675 1.00 0.00 H new ATOM 0 HE2 MET A 56 117.761 -4.808 -3.999 1.00 0.00 H new ATOM 0 HE3 MET A 56 117.613 -3.406 -5.085 1.00 0.00 H new ATOM 901 N ASP A 57 120.131 -9.172 -6.727 1.00 0.00 N ATOM 902 CA ASP A 57 121.259 -9.982 -6.202 1.00 0.00 C ATOM 903 C ASP A 57 122.477 -9.834 -7.143 1.00 0.00 C ATOM 904 O ASP A 57 123.528 -10.383 -6.893 1.00 0.00 O ATOM 905 CB ASP A 57 120.733 -11.417 -6.188 1.00 0.00 C ATOM 906 CG ASP A 57 119.624 -11.541 -5.140 1.00 0.00 C ATOM 907 OD1 ASP A 57 119.591 -10.717 -4.241 1.00 0.00 O ATOM 908 OD2 ASP A 57 118.822 -12.452 -5.260 1.00 0.00 O1- ATOM 0 H ASP A 57 119.399 -9.700 -7.203 1.00 0.00 H new ATOM 0 HA ASP A 57 121.588 -9.672 -5.210 1.00 0.00 H new ATOM 0 HB2 ASP A 57 120.350 -11.685 -7.173 1.00 0.00 H new ATOM 0 HB3 ASP A 57 121.543 -12.111 -5.961 1.00 0.00 H new ATOM 913 N ASN A 58 122.342 -9.070 -8.212 1.00 0.00 N ATOM 914 CA ASN A 58 123.473 -8.849 -9.151 1.00 0.00 C ATOM 915 C ASN A 58 124.471 -7.861 -8.542 1.00 0.00 C ATOM 916 O ASN A 58 124.721 -6.805 -9.084 1.00 0.00 O ATOM 917 CB ASN A 58 122.816 -8.234 -10.391 1.00 0.00 C ATOM 918 CG ASN A 58 123.887 -7.849 -11.405 1.00 0.00 C ATOM 919 OD1 ASN A 58 124.092 -6.682 -11.673 1.00 0.00 O ATOM 920 ND2 ASN A 58 124.587 -8.784 -11.982 1.00 0.00 N ATOM 0 H ASN A 58 121.479 -8.589 -8.466 1.00 0.00 H new ATOM 0 HA ASN A 58 124.021 -9.764 -9.375 1.00 0.00 H new ATOM 0 HB2 ASN A 58 122.120 -8.945 -10.836 1.00 0.00 H new ATOM 0 HB3 ASN A 58 122.237 -7.355 -10.109 1.00 0.00 H new ATOM 0 HD21 ASN A 58 125.308 -8.537 -12.660 1.00 0.00 H new ATOM 0 HD22 ASN A 58 124.414 -9.764 -11.756 1.00 0.00 H new ATOM 927 N THR A 59 125.062 -8.209 -7.433 1.00 0.00 N ATOM 928 CA THR A 59 126.068 -7.303 -6.813 1.00 0.00 C ATOM 929 C THR A 59 127.298 -8.130 -6.443 1.00 0.00 C ATOM 930 O THR A 59 127.202 -9.294 -6.111 1.00 0.00 O ATOM 931 CB THR A 59 125.401 -6.693 -5.577 1.00 0.00 C ATOM 932 OG1 THR A 59 124.156 -6.117 -5.949 1.00 0.00 O ATOM 933 CG2 THR A 59 126.306 -5.610 -4.985 1.00 0.00 C ATOM 0 H THR A 59 124.892 -9.080 -6.930 1.00 0.00 H new ATOM 0 HA THR A 59 126.392 -6.507 -7.483 1.00 0.00 H new ATOM 0 HB THR A 59 125.236 -7.472 -4.833 1.00 0.00 H new ATOM 0 HG1 THR A 59 123.727 -5.727 -5.159 1.00 0.00 H new ATOM 0 HG21 THR A 59 125.829 -5.178 -4.106 1.00 0.00 H new ATOM 0 HG22 THR A 59 127.262 -6.050 -4.700 1.00 0.00 H new ATOM 0 HG23 THR A 59 126.473 -4.830 -5.727 1.00 0.00 H new ATOM 941 N LYS A 60 128.456 -7.540 -6.534 1.00 0.00 N ATOM 942 CA LYS A 60 129.703 -8.293 -6.226 1.00 0.00 C ATOM 943 C LYS A 60 129.724 -8.769 -4.771 1.00 0.00 C ATOM 944 O LYS A 60 130.100 -9.889 -4.485 1.00 0.00 O ATOM 945 CB LYS A 60 130.846 -7.307 -6.480 1.00 0.00 C ATOM 946 CG LYS A 60 130.948 -6.997 -7.977 1.00 0.00 C ATOM 947 CD LYS A 60 132.114 -6.033 -8.214 1.00 0.00 C ATOM 948 CE LYS A 60 132.239 -5.725 -9.708 1.00 0.00 C ATOM 949 NZ LYS A 60 133.388 -4.781 -9.813 1.00 0.00 N1+ ATOM 0 H LYS A 60 128.593 -6.567 -6.809 1.00 0.00 H new ATOM 0 HA LYS A 60 129.785 -9.188 -6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 60 130.675 -6.387 -5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 60 131.786 -7.727 -6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 60 131.101 -7.917 -8.541 1.00 0.00 H new ATOM 0 HG3 LYS A 60 130.017 -6.555 -8.333 1.00 0.00 H new ATOM 0 HD2 LYS A 60 131.954 -5.111 -7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 60 133.041 -6.472 -7.845 1.00 0.00 H new ATOM 0 HE2 LYS A 60 132.420 -6.632 -10.284 1.00 0.00 H new ATOM 0 HE3 LYS A 60 131.324 -5.278 -10.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 133.536 -4.523 -10.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 133.185 -3.924 -9.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 134.246 -5.236 -9.442 1.00 0.00 H new ATOM 963 N LEU A 61 129.320 -7.938 -3.847 1.00 0.00 N ATOM 964 CA LEU A 61 129.321 -8.370 -2.417 1.00 0.00 C ATOM 965 C LEU A 61 127.941 -8.892 -1.992 1.00 0.00 C ATOM 966 O LEU A 61 127.759 -9.293 -0.861 1.00 0.00 O ATOM 967 CB LEU A 61 129.687 -7.129 -1.604 1.00 0.00 C ATOM 968 CG LEU A 61 131.074 -6.629 -2.005 1.00 0.00 C ATOM 969 CD1 LEU A 61 131.382 -5.336 -1.244 1.00 0.00 C ATOM 970 CD2 LEU A 61 132.121 -7.688 -1.655 1.00 0.00 C ATOM 0 H LEU A 61 128.992 -6.987 -4.017 1.00 0.00 H new ATOM 0 HA LEU A 61 130.027 -9.185 -2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 61 128.948 -6.345 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 61 129.670 -7.364 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 61 131.098 -6.439 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 61 132.371 -4.974 -1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 61 130.635 -4.581 -1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 61 131.359 -5.531 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 61 133.110 -7.330 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 61 132.101 -7.879 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 61 131.899 -8.610 -2.192 1.00 0.00 H new ATOM 982 N GLN A 62 126.975 -8.897 -2.883 1.00 0.00 N ATOM 983 CA GLN A 62 125.615 -9.410 -2.536 1.00 0.00 C ATOM 984 C GLN A 62 125.026 -8.653 -1.344 1.00 0.00 C ATOM 985 O GLN A 62 124.481 -9.219 -0.419 1.00 0.00 O ATOM 986 CB GLN A 62 125.815 -10.896 -2.213 1.00 0.00 C ATOM 987 CG GLN A 62 126.215 -11.635 -3.490 1.00 0.00 C ATOM 988 CD GLN A 62 126.556 -13.090 -3.164 1.00 0.00 C ATOM 989 OE1 GLN A 62 127.093 -13.380 -2.113 1.00 0.00 O ATOM 990 NE2 GLN A 62 126.269 -14.023 -4.029 1.00 0.00 N ATOM 0 H GLN A 62 127.075 -8.564 -3.842 1.00 0.00 H new ATOM 0 HA GLN A 62 124.908 -9.269 -3.353 1.00 0.00 H new ATOM 0 HB2 GLN A 62 126.586 -11.015 -1.452 1.00 0.00 H new ATOM 0 HB3 GLN A 62 124.897 -11.319 -1.805 1.00 0.00 H new ATOM 0 HG2 GLN A 62 125.400 -11.596 -4.213 1.00 0.00 H new ATOM 0 HG3 GLN A 62 127.073 -11.145 -3.950 1.00 0.00 H new ATOM 0 HE21 GLN A 62 125.818 -13.780 -4.911 1.00 0.00 H new ATOM 0 HE22 GLN A 62 126.495 -14.996 -3.823 1.00 0.00 H new ATOM 999 N ASN A 63 125.157 -7.356 -1.397 1.00 0.00 N ATOM 1000 CA ASN A 63 124.641 -6.452 -0.327 1.00 0.00 C ATOM 1001 C ASN A 63 123.589 -5.495 -0.902 1.00 0.00 C ATOM 1002 O ASN A 63 123.676 -4.294 -0.743 1.00 0.00 O ATOM 1003 CB ASN A 63 125.865 -5.669 0.148 1.00 0.00 C ATOM 1004 CG ASN A 63 126.846 -6.619 0.835 1.00 0.00 C ATOM 1005 OD1 ASN A 63 126.456 -7.657 1.331 1.00 0.00 O ATOM 1006 ND2 ASN A 63 128.113 -6.310 0.880 1.00 0.00 N ATOM 0 H ASN A 63 125.617 -6.868 -2.166 1.00 0.00 H new ATOM 0 HA ASN A 63 124.163 -7.002 0.483 1.00 0.00 H new ATOM 0 HB2 ASN A 63 126.348 -5.181 -0.698 1.00 0.00 H new ATOM 0 HB3 ASN A 63 125.561 -4.882 0.838 1.00 0.00 H new ATOM 0 HD21 ASN A 63 128.776 -6.940 1.332 1.00 0.00 H new ATOM 0 HD22 ASN A 63 128.440 -5.438 0.463 1.00 0.00 H new ATOM 1013 N GLY A 64 122.581 -6.024 -1.542 1.00 0.00 N ATOM 1014 CA GLY A 64 121.505 -5.154 -2.100 1.00 0.00 C ATOM 1015 C GLY A 64 120.286 -5.211 -1.171 1.00 0.00 C ATOM 1016 O GLY A 64 119.931 -6.258 -0.668 1.00 0.00 O ATOM 0 H GLY A 64 122.456 -7.023 -1.703 1.00 0.00 H new ATOM 0 HA2 GLY A 64 121.860 -4.128 -2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 64 121.232 -5.488 -3.101 1.00 0.00 H new ATOM 1020 N VAL A 65 119.645 -4.100 -0.939 1.00 0.00 N ATOM 1021 CA VAL A 65 118.452 -4.115 -0.039 1.00 0.00 C ATOM 1022 C VAL A 65 117.222 -3.547 -0.756 1.00 0.00 C ATOM 1023 O VAL A 65 117.285 -2.543 -1.434 1.00 0.00 O ATOM 1024 CB VAL A 65 118.835 -3.240 1.171 1.00 0.00 C ATOM 1025 CG1 VAL A 65 117.600 -2.952 2.046 1.00 0.00 C ATOM 1026 CG2 VAL A 65 119.872 -3.974 2.013 1.00 0.00 C ATOM 0 H VAL A 65 119.890 -3.189 -1.328 1.00 0.00 H new ATOM 0 HA VAL A 65 118.191 -5.128 0.266 1.00 0.00 H new ATOM 0 HB VAL A 65 119.239 -2.297 0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 65 117.892 -2.333 2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 65 116.850 -2.427 1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 65 117.184 -3.892 2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 65 120.146 -3.359 2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 65 119.455 -4.918 2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 65 120.758 -4.170 1.409 1.00 0.00 H new ATOM 1036 N LEU A 66 116.102 -4.192 -0.594 1.00 0.00 N ATOM 1037 CA LEU A 66 114.863 -3.696 -1.244 1.00 0.00 C ATOM 1038 C LEU A 66 113.819 -3.328 -0.188 1.00 0.00 C ATOM 1039 O LEU A 66 113.497 -4.116 0.679 1.00 0.00 O ATOM 1040 CB LEU A 66 114.369 -4.875 -2.068 1.00 0.00 C ATOM 1041 CG LEU A 66 113.174 -4.437 -2.918 1.00 0.00 C ATOM 1042 CD1 LEU A 66 113.604 -3.302 -3.849 1.00 0.00 C ATOM 1043 CD2 LEU A 66 112.675 -5.618 -3.753 1.00 0.00 C ATOM 0 H LEU A 66 115.993 -5.041 -0.039 1.00 0.00 H new ATOM 0 HA LEU A 66 115.040 -2.805 -1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 66 115.169 -5.245 -2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 66 114.081 -5.696 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 66 112.372 -4.092 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 66 112.755 -2.988 -4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 66 113.958 -2.459 -3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 66 114.406 -3.649 -4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 66 111.824 -5.303 -4.357 1.00 0.00 H new ATOM 0 HD22 LEU A 66 113.475 -5.965 -4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 66 112.370 -6.428 -3.091 1.00 0.00 H new ATOM 1055 N ILE A 67 113.284 -2.144 -0.268 1.00 0.00 N ATOM 1056 CA ILE A 67 112.251 -1.751 0.734 1.00 0.00 C ATOM 1057 C ILE A 67 110.868 -1.795 0.084 1.00 0.00 C ATOM 1058 O ILE A 67 110.505 -0.931 -0.690 1.00 0.00 O ATOM 1059 CB ILE A 67 112.614 -0.334 1.176 1.00 0.00 C ATOM 1060 CG1 ILE A 67 113.977 -0.354 1.871 1.00 0.00 C ATOM 1061 CG2 ILE A 67 111.554 0.186 2.150 1.00 0.00 C ATOM 1062 CD1 ILE A 67 114.453 1.081 2.097 1.00 0.00 C ATOM 0 H ILE A 67 113.510 -1.440 -0.970 1.00 0.00 H new ATOM 0 HA ILE A 67 112.224 -2.425 1.591 1.00 0.00 H new ATOM 0 HB ILE A 67 112.657 0.319 0.304 1.00 0.00 H new ATOM 0 HG12 ILE A 67 113.904 -0.879 2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 67 114.700 -0.897 1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 67 111.814 1.197 2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 67 110.582 0.198 1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 67 111.511 -0.466 3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 67 115.424 1.069 2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 67 114.541 1.590 1.137 1.00 0.00 H new ATOM 0 HD13 ILE A 67 113.733 1.609 2.723 1.00 0.00 H new ATOM 1074 N TYR A 68 110.094 -2.799 0.391 1.00 0.00 N ATOM 1075 CA TYR A 68 108.738 -2.900 -0.214 1.00 0.00 C ATOM 1076 C TYR A 68 107.719 -2.183 0.671 1.00 0.00 C ATOM 1077 O TYR A 68 107.571 -2.478 1.840 1.00 0.00 O ATOM 1078 CB TYR A 68 108.435 -4.399 -0.264 1.00 0.00 C ATOM 1079 CG TYR A 68 107.184 -4.621 -1.072 1.00 0.00 C ATOM 1080 CD1 TYR A 68 105.930 -4.534 -0.457 1.00 0.00 C ATOM 1081 CD2 TYR A 68 107.275 -4.906 -2.436 1.00 0.00 C ATOM 1082 CE1 TYR A 68 104.766 -4.730 -1.208 1.00 0.00 C ATOM 1083 CE2 TYR A 68 106.115 -5.103 -3.186 1.00 0.00 C ATOM 1084 CZ TYR A 68 104.859 -5.014 -2.574 1.00 0.00 C ATOM 1085 OH TYR A 68 103.711 -5.210 -3.318 1.00 0.00 O ATOM 0 H TYR A 68 110.342 -3.552 1.033 1.00 0.00 H new ATOM 0 HA TYR A 68 108.690 -2.441 -1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 68 109.271 -4.937 -0.710 1.00 0.00 H new ATOM 0 HB3 TYR A 68 108.306 -4.791 0.745 1.00 0.00 H new ATOM 0 HD1 TYR A 68 105.861 -4.315 0.598 1.00 0.00 H new ATOM 0 HD2 TYR A 68 108.243 -4.974 -2.910 1.00 0.00 H new ATOM 0 HE1 TYR A 68 103.798 -4.662 -0.734 1.00 0.00 H new ATOM 0 HE2 TYR A 68 106.186 -5.325 -4.241 1.00 0.00 H new ATOM 0 HH TYR A 68 102.979 -4.683 -2.935 1.00 0.00 H new ATOM 1095 N VAL A 69 107.036 -1.222 0.117 1.00 0.00 N ATOM 1096 CA VAL A 69 106.043 -0.448 0.913 1.00 0.00 C ATOM 1097 C VAL A 69 104.643 -0.558 0.298 1.00 0.00 C ATOM 1098 O VAL A 69 104.447 -0.406 -0.893 1.00 0.00 O ATOM 1099 CB VAL A 69 106.557 1.003 0.861 1.00 0.00 C ATOM 1100 CG1 VAL A 69 105.511 1.982 1.428 1.00 0.00 C ATOM 1101 CG2 VAL A 69 107.843 1.115 1.686 1.00 0.00 C ATOM 0 H VAL A 69 107.123 -0.937 -0.859 1.00 0.00 H new ATOM 0 HA VAL A 69 105.951 -0.818 1.934 1.00 0.00 H new ATOM 0 HB VAL A 69 106.749 1.262 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 69 105.900 2.999 1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 69 104.595 1.916 0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 69 105.297 1.725 2.465 1.00 0.00 H new ATOM 0 HG21 VAL A 69 108.209 2.141 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 69 107.637 0.838 2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 69 108.599 0.446 1.275 1.00 0.00 H new ATOM 1111 N ALA A 70 103.670 -0.801 1.131 1.00 0.00 N ATOM 1112 CA ALA A 70 102.262 -0.898 0.660 1.00 0.00 C ATOM 1113 C ALA A 70 101.521 0.378 1.049 1.00 0.00 C ATOM 1114 O ALA A 70 101.092 0.537 2.175 1.00 0.00 O ATOM 1115 CB ALA A 70 101.681 -2.093 1.413 1.00 0.00 C ATOM 0 H ALA A 70 103.794 -0.939 2.134 1.00 0.00 H new ATOM 0 HA ALA A 70 102.180 -1.019 -0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 70 100.640 -2.235 1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 70 102.251 -2.989 1.169 1.00 0.00 H new ATOM 0 HB3 ALA A 70 101.736 -1.909 2.486 1.00 0.00 H new ATOM 1121 N VAL A 71 101.386 1.298 0.141 1.00 0.00 N ATOM 1122 CA VAL A 71 100.693 2.571 0.484 1.00 0.00 C ATOM 1123 C VAL A 71 99.215 2.316 0.781 1.00 0.00 C ATOM 1124 O VAL A 71 98.579 3.089 1.469 1.00 0.00 O ATOM 1125 CB VAL A 71 100.868 3.461 -0.742 1.00 0.00 C ATOM 1126 CG1 VAL A 71 102.354 3.678 -0.986 1.00 0.00 C ATOM 1127 CG2 VAL A 71 100.253 2.773 -1.961 1.00 0.00 C ATOM 0 H VAL A 71 101.722 1.227 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 71 101.105 3.038 1.379 1.00 0.00 H new ATOM 0 HB VAL A 71 100.374 4.418 -0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 71 102.490 4.314 -1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 71 102.799 4.159 -0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 71 102.839 2.717 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 71 100.377 3.408 -2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 71 100.752 1.819 -2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 71 99.191 2.601 -1.785 1.00 0.00 H new ATOM 1137 N GLU A 72 98.663 1.234 0.296 1.00 0.00 N ATOM 1138 CA GLU A 72 97.230 0.951 0.597 1.00 0.00 C ATOM 1139 C GLU A 72 97.076 0.609 2.084 1.00 0.00 C ATOM 1140 O GLU A 72 96.175 1.082 2.747 1.00 0.00 O ATOM 1141 CB GLU A 72 96.868 -0.250 -0.273 1.00 0.00 C ATOM 1142 CG GLU A 72 96.944 0.152 -1.746 1.00 0.00 C ATOM 1143 CD GLU A 72 95.921 1.256 -2.028 1.00 0.00 C ATOM 1144 OE1 GLU A 72 94.997 1.399 -1.242 1.00 0.00 O1- ATOM 1145 OE2 GLU A 72 96.078 1.940 -3.026 1.00 0.00 O ATOM 0 H GLU A 72 99.135 0.543 -0.287 1.00 0.00 H new ATOM 0 HA GLU A 72 96.582 1.803 0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 72 97.550 -1.077 -0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 72 95.864 -0.600 -0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 72 97.948 0.502 -1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 72 96.746 -0.712 -2.380 1.00 0.00 H new ATOM 1152 N ASP A 73 97.952 -0.204 2.617 1.00 0.00 N ATOM 1153 CA ASP A 73 97.851 -0.562 4.064 1.00 0.00 C ATOM 1154 C ASP A 73 98.866 0.232 4.901 1.00 0.00 C ATOM 1155 O ASP A 73 98.996 0.018 6.089 1.00 0.00 O ATOM 1156 CB ASP A 73 98.155 -2.059 4.131 1.00 0.00 C ATOM 1157 CG ASP A 73 97.014 -2.852 3.486 1.00 0.00 C ATOM 1158 OD1 ASP A 73 95.960 -2.274 3.267 1.00 0.00 O ATOM 1159 OD2 ASP A 73 97.212 -4.026 3.225 1.00 0.00 O1- ATOM 0 H ASP A 73 98.729 -0.634 2.116 1.00 0.00 H new ATOM 0 HA ASP A 73 96.866 -0.325 4.468 1.00 0.00 H new ATOM 0 HB2 ASP A 73 99.093 -2.272 3.618 1.00 0.00 H new ATOM 0 HB3 ASP A 73 98.282 -2.367 5.169 1.00 0.00 H new ATOM 1164 N LYS A 74 99.585 1.148 4.300 1.00 0.00 N ATOM 1165 CA LYS A 74 100.579 1.942 5.072 1.00 0.00 C ATOM 1166 C LYS A 74 101.565 1.012 5.786 1.00 0.00 C ATOM 1167 O LYS A 74 101.859 1.183 6.951 1.00 0.00 O ATOM 1168 CB LYS A 74 99.761 2.747 6.085 1.00 0.00 C ATOM 1169 CG LYS A 74 100.261 4.190 6.115 1.00 0.00 C ATOM 1170 CD LYS A 74 99.350 5.027 7.012 1.00 0.00 C ATOM 1171 CE LYS A 74 98.008 5.274 6.310 1.00 0.00 C ATOM 1172 NZ LYS A 74 97.268 6.239 7.182 1.00 0.00 N1+ ATOM 0 H LYS A 74 99.523 1.377 3.308 1.00 0.00 H new ATOM 0 HA LYS A 74 101.170 2.593 4.428 1.00 0.00 H new ATOM 0 HB2 LYS A 74 98.705 2.723 5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 74 99.848 2.300 7.075 1.00 0.00 H new ATOM 0 HG2 LYS A 74 101.285 4.223 6.487 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.274 4.602 5.106 1.00 0.00 H new ATOM 0 HD2 LYS A 74 99.186 4.513 7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.829 5.978 7.245 1.00 0.00 H new ATOM 0 HE2 LYS A 74 98.158 5.684 5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 74 97.450 4.345 6.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 96.342 6.450 6.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 97.131 5.821 8.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 97.816 7.118 7.270 1.00 0.00 H new ATOM 1186 N THR A 75 102.085 0.035 5.092 1.00 0.00 N ATOM 1187 CA THR A 75 103.060 -0.895 5.733 1.00 0.00 C ATOM 1188 C THR A 75 104.375 -0.880 4.956 1.00 0.00 C ATOM 1189 O THR A 75 104.456 -0.375 3.855 1.00 0.00 O ATOM 1190 CB THR A 75 102.413 -2.278 5.676 1.00 0.00 C ATOM 1191 OG1 THR A 75 102.244 -2.668 4.321 1.00 0.00 O ATOM 1192 CG2 THR A 75 101.055 -2.235 6.376 1.00 0.00 C ATOM 0 H THR A 75 101.878 -0.159 4.112 1.00 0.00 H new ATOM 0 HA THR A 75 103.287 -0.609 6.760 1.00 0.00 H new ATOM 0 HB THR A 75 103.054 -3.001 6.180 1.00 0.00 H new ATOM 0 HG1 THR A 75 101.831 -3.556 4.285 1.00 0.00 H new ATOM 0 HG21 THR A 75 100.593 -3.222 6.335 1.00 0.00 H new ATOM 0 HG22 THR A 75 101.191 -1.941 7.417 1.00 0.00 H new ATOM 0 HG23 THR A 75 100.411 -1.512 5.876 1.00 0.00 H new ATOM 1200 N PHE A 76 105.410 -1.412 5.538 1.00 0.00 N ATOM 1201 CA PHE A 76 106.738 -1.418 4.863 1.00 0.00 C ATOM 1202 C PHE A 76 107.517 -2.687 5.229 1.00 0.00 C ATOM 1203 O PHE A 76 107.412 -3.201 6.324 1.00 0.00 O ATOM 1204 CB PHE A 76 107.440 -0.181 5.430 1.00 0.00 C ATOM 1205 CG PHE A 76 107.541 -0.319 6.931 1.00 0.00 C ATOM 1206 CD1 PHE A 76 106.467 0.071 7.738 1.00 0.00 C ATOM 1207 CD2 PHE A 76 108.695 -0.854 7.510 1.00 0.00 C ATOM 1208 CE1 PHE A 76 106.547 -0.072 9.128 1.00 0.00 C ATOM 1209 CE2 PHE A 76 108.780 -0.995 8.900 1.00 0.00 C ATOM 1210 CZ PHE A 76 107.705 -0.605 9.709 1.00 0.00 C ATOM 0 H PHE A 76 105.394 -1.847 6.460 1.00 0.00 H new ATOM 0 HA PHE A 76 106.661 -1.402 3.776 1.00 0.00 H new ATOM 0 HB2 PHE A 76 108.433 -0.078 4.993 1.00 0.00 H new ATOM 0 HB3 PHE A 76 106.884 0.720 5.171 1.00 0.00 H new ATOM 0 HD1 PHE A 76 105.576 0.483 7.288 1.00 0.00 H new ATOM 0 HD2 PHE A 76 109.521 -1.159 6.885 1.00 0.00 H new ATOM 0 HE1 PHE A 76 105.718 0.228 9.751 1.00 0.00 H new ATOM 0 HE2 PHE A 76 109.673 -1.404 9.348 1.00 0.00 H new ATOM 0 HZ PHE A 76 107.769 -0.715 10.781 1.00 0.00 H new ATOM 1220 N VAL A 77 108.302 -3.187 4.317 1.00 0.00 N ATOM 1221 CA VAL A 77 109.099 -4.414 4.594 1.00 0.00 C ATOM 1222 C VAL A 77 110.543 -4.195 4.115 1.00 0.00 C ATOM 1223 O VAL A 77 110.765 -3.660 3.046 1.00 0.00 O ATOM 1224 CB VAL A 77 108.388 -5.508 3.788 1.00 0.00 C ATOM 1225 CG1 VAL A 77 109.244 -6.776 3.729 1.00 0.00 C ATOM 1226 CG2 VAL A 77 107.054 -5.837 4.464 1.00 0.00 C ATOM 0 H VAL A 77 108.427 -2.795 3.384 1.00 0.00 H new ATOM 0 HA VAL A 77 109.160 -4.675 5.650 1.00 0.00 H new ATOM 0 HB VAL A 77 108.222 -5.147 2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 77 108.723 -7.541 3.153 1.00 0.00 H new ATOM 0 HG12 VAL A 77 110.197 -6.549 3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.422 -7.142 4.740 1.00 0.00 H new ATOM 0 HG21 VAL A 77 106.541 -6.614 3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 77 107.238 -6.189 5.479 1.00 0.00 H new ATOM 0 HG23 VAL A 77 106.432 -4.942 4.497 1.00 0.00 H new ATOM 1236 N ILE A 78 111.529 -4.593 4.879 1.00 0.00 N ATOM 1237 CA ILE A 78 112.939 -4.384 4.426 1.00 0.00 C ATOM 1238 C ILE A 78 113.639 -5.730 4.191 1.00 0.00 C ATOM 1239 O ILE A 78 113.655 -6.595 5.044 1.00 0.00 O ATOM 1240 CB ILE A 78 113.619 -3.615 5.561 1.00 0.00 C ATOM 1241 CG1 ILE A 78 112.881 -2.297 5.800 1.00 0.00 C ATOM 1242 CG2 ILE A 78 115.068 -3.311 5.176 1.00 0.00 C ATOM 1243 CD1 ILE A 78 113.420 -1.637 7.071 1.00 0.00 C ATOM 0 H ILE A 78 111.422 -5.048 5.786 1.00 0.00 H new ATOM 0 HA ILE A 78 112.984 -3.840 3.483 1.00 0.00 H new ATOM 0 HB ILE A 78 113.597 -4.219 6.468 1.00 0.00 H new ATOM 0 HG12 ILE A 78 113.015 -1.632 4.947 1.00 0.00 H new ATOM 0 HG13 ILE A 78 111.811 -2.479 5.897 1.00 0.00 H new ATOM 0 HG21 ILE A 78 115.552 -2.763 5.985 1.00 0.00 H new ATOM 0 HG22 ILE A 78 115.601 -4.245 5.000 1.00 0.00 H new ATOM 0 HG23 ILE A 78 115.084 -2.708 4.268 1.00 0.00 H new ATOM 0 HD11 ILE A 78 112.895 -0.697 7.243 1.00 0.00 H new ATOM 0 HD12 ILE A 78 113.263 -2.301 7.921 1.00 0.00 H new ATOM 0 HD13 ILE A 78 114.486 -1.442 6.955 1.00 0.00 H new ATOM 1255 N TYR A 79 114.216 -5.904 3.030 1.00 0.00 N ATOM 1256 CA TYR A 79 114.919 -7.187 2.716 1.00 0.00 C ATOM 1257 C TYR A 79 116.325 -6.929 2.170 1.00 0.00 C ATOM 1258 O TYR A 79 116.505 -6.314 1.138 1.00 0.00 O ATOM 1259 CB TYR A 79 114.056 -7.878 1.653 1.00 0.00 C ATOM 1260 CG TYR A 79 114.617 -9.257 1.353 1.00 0.00 C ATOM 1261 CD1 TYR A 79 115.046 -10.087 2.401 1.00 0.00 C ATOM 1262 CD2 TYR A 79 114.711 -9.709 0.026 1.00 0.00 C ATOM 1263 CE1 TYR A 79 115.566 -11.355 2.125 1.00 0.00 C ATOM 1264 CE2 TYR A 79 115.234 -10.980 -0.246 1.00 0.00 C ATOM 1265 CZ TYR A 79 115.662 -11.802 0.803 1.00 0.00 C ATOM 1266 OH TYR A 79 116.177 -13.054 0.535 1.00 0.00 O ATOM 0 H TYR A 79 114.231 -5.211 2.282 1.00 0.00 H new ATOM 0 HA TYR A 79 115.040 -7.799 3.610 1.00 0.00 H new ATOM 0 HB2 TYR A 79 113.028 -7.962 2.004 1.00 0.00 H new ATOM 0 HB3 TYR A 79 114.034 -7.278 0.743 1.00 0.00 H new ATOM 0 HD1 TYR A 79 114.974 -9.745 3.423 1.00 0.00 H new ATOM 0 HD2 TYR A 79 114.380 -9.077 -0.785 1.00 0.00 H new ATOM 0 HE1 TYR A 79 115.894 -11.991 2.934 1.00 0.00 H new ATOM 0 HE2 TYR A 79 115.307 -11.326 -1.266 1.00 0.00 H new ATOM 0 HH TYR A 79 115.766 -13.409 -0.281 1.00 0.00 H new ATOM 1276 N GLY A 80 117.323 -7.419 2.858 1.00 0.00 N ATOM 1277 CA GLY A 80 118.724 -7.235 2.393 1.00 0.00 C ATOM 1278 C GLY A 80 119.213 -8.543 1.772 1.00 0.00 C ATOM 1279 O GLY A 80 118.792 -9.619 2.145 1.00 0.00 O ATOM 0 H GLY A 80 117.224 -7.942 3.728 1.00 0.00 H new ATOM 0 HA2 GLY A 80 118.776 -6.428 1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 80 119.365 -6.951 3.228 1.00 0.00 H new ATOM 1283 N ASP A 81 120.090 -8.449 0.814 1.00 0.00 N ATOM 1284 CA ASP A 81 120.610 -9.673 0.144 1.00 0.00 C ATOM 1285 C ASP A 81 121.364 -10.550 1.157 1.00 0.00 C ATOM 1286 O ASP A 81 121.526 -10.187 2.305 1.00 0.00 O ATOM 1287 CB ASP A 81 121.544 -9.132 -0.945 1.00 0.00 C ATOM 1288 CG ASP A 81 122.050 -10.275 -1.830 1.00 0.00 C ATOM 1289 OD1 ASP A 81 121.489 -11.355 -1.745 1.00 0.00 O ATOM 1290 OD2 ASP A 81 122.991 -10.052 -2.574 1.00 0.00 O1- ATOM 0 H ASP A 81 120.472 -7.571 0.463 1.00 0.00 H new ATOM 0 HA ASP A 81 119.826 -10.305 -0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 81 121.016 -8.398 -1.554 1.00 0.00 H new ATOM 0 HB3 ASP A 81 122.388 -8.617 -0.486 1.00 0.00 H new ATOM 1295 N LYS A 82 121.801 -11.708 0.746 1.00 0.00 N ATOM 1296 CA LYS A 82 122.521 -12.626 1.677 1.00 0.00 C ATOM 1297 C LYS A 82 123.805 -11.989 2.221 1.00 0.00 C ATOM 1298 O LYS A 82 124.274 -12.335 3.285 1.00 0.00 O ATOM 1299 CB LYS A 82 122.841 -13.854 0.828 1.00 0.00 C ATOM 1300 CG LYS A 82 121.538 -14.591 0.526 1.00 0.00 C ATOM 1301 CD LYS A 82 121.820 -15.791 -0.376 1.00 0.00 C ATOM 1302 CE LYS A 82 120.508 -16.526 -0.658 1.00 0.00 C ATOM 1303 NZ LYS A 82 120.875 -17.643 -1.571 1.00 0.00 N1+ ATOM 0 H LYS A 82 121.690 -12.062 -0.204 1.00 0.00 H new ATOM 0 HA LYS A 82 121.920 -12.867 2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 82 123.330 -13.556 -0.099 1.00 0.00 H new ATOM 0 HB3 LYS A 82 123.533 -14.510 1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 82 121.074 -14.923 1.455 1.00 0.00 H new ATOM 0 HG3 LYS A 82 120.832 -13.917 0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 82 122.274 -15.460 -1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 82 122.532 -16.463 0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 82 120.061 -16.901 0.263 1.00 0.00 H new ATOM 0 HE3 LYS A 82 119.777 -15.863 -1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 120.024 -18.192 -1.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 121.291 -17.257 -2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 121.566 -18.262 -1.102 1.00 0.00 H new ATOM 1317 N GLY A 83 124.391 -11.082 1.489 1.00 0.00 N ATOM 1318 CA GLY A 83 125.658 -10.455 1.962 1.00 0.00 C ATOM 1319 C GLY A 83 125.415 -9.646 3.239 1.00 0.00 C ATOM 1320 O GLY A 83 126.055 -9.872 4.251 1.00 0.00 O ATOM 0 H GLY A 83 124.049 -10.749 0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 83 126.404 -11.227 2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 83 126.061 -9.806 1.185 1.00 0.00 H new ATOM 1324 N ILE A 84 124.478 -8.734 3.229 1.00 0.00 N ATOM 1325 CA ILE A 84 124.204 -7.955 4.469 1.00 0.00 C ATOM 1326 C ILE A 84 123.720 -8.922 5.547 1.00 0.00 C ATOM 1327 O ILE A 84 124.126 -8.847 6.684 1.00 0.00 O ATOM 1328 CB ILE A 84 123.108 -6.966 4.071 1.00 0.00 C ATOM 1329 CG1 ILE A 84 123.682 -5.940 3.091 1.00 0.00 C ATOM 1330 CG2 ILE A 84 122.580 -6.239 5.310 1.00 0.00 C ATOM 1331 CD1 ILE A 84 122.533 -5.229 2.383 1.00 0.00 C ATOM 0 H ILE A 84 123.897 -8.498 2.424 1.00 0.00 H new ATOM 0 HA ILE A 84 125.075 -7.433 4.865 1.00 0.00 H new ATOM 0 HB ILE A 84 122.290 -7.512 3.601 1.00 0.00 H new ATOM 0 HG12 ILE A 84 124.301 -5.217 3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 84 124.324 -6.434 2.362 1.00 0.00 H new ATOM 0 HG21 ILE A 84 121.800 -5.537 5.015 1.00 0.00 H new ATOM 0 HG22 ILE A 84 122.168 -6.966 6.010 1.00 0.00 H new ATOM 0 HG23 ILE A 84 123.395 -5.696 5.788 1.00 0.00 H new ATOM 0 HD11 ILE A 84 122.935 -4.496 1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 84 121.933 -5.959 1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 84 121.909 -4.723 3.120 1.00 0.00 H new ATOM 1343 N ASN A 85 122.834 -9.813 5.210 1.00 0.00 N ATOM 1344 CA ASN A 85 122.294 -10.751 6.237 1.00 0.00 C ATOM 1345 C ASN A 85 123.400 -11.618 6.847 1.00 0.00 C ATOM 1346 O ASN A 85 123.384 -11.905 8.029 1.00 0.00 O ATOM 1347 CB ASN A 85 121.274 -11.615 5.486 1.00 0.00 C ATOM 1348 CG ASN A 85 120.733 -12.709 6.413 1.00 0.00 C ATOM 1349 OD1 ASN A 85 120.639 -12.516 7.610 1.00 0.00 O ATOM 1350 ND2 ASN A 85 120.380 -13.859 5.909 1.00 0.00 N ATOM 0 H ASN A 85 122.459 -9.935 4.269 1.00 0.00 H new ATOM 0 HA ASN A 85 121.845 -10.214 7.073 1.00 0.00 H new ATOM 0 HB2 ASN A 85 120.454 -10.994 5.125 1.00 0.00 H new ATOM 0 HB3 ASN A 85 121.741 -12.066 4.611 1.00 0.00 H new ATOM 0 HD21 ASN A 85 120.025 -14.596 6.519 1.00 0.00 H new ATOM 0 HD22 ASN A 85 120.459 -14.022 4.905 1.00 0.00 H new ATOM 1357 N ASP A 86 124.345 -12.055 6.067 1.00 0.00 N ATOM 1358 CA ASP A 86 125.422 -12.919 6.623 1.00 0.00 C ATOM 1359 C ASP A 86 126.372 -12.129 7.532 1.00 0.00 C ATOM 1360 O ASP A 86 127.061 -12.699 8.355 1.00 0.00 O ATOM 1361 CB ASP A 86 126.173 -13.436 5.396 1.00 0.00 C ATOM 1362 CG ASP A 86 125.301 -14.448 4.646 1.00 0.00 C ATOM 1363 OD1 ASP A 86 124.340 -14.927 5.228 1.00 0.00 O1- ATOM 1364 OD2 ASP A 86 125.610 -14.729 3.500 1.00 0.00 O ATOM 0 H ASP A 86 124.420 -11.853 5.070 1.00 0.00 H new ATOM 0 HA ASP A 86 125.013 -13.719 7.240 1.00 0.00 H new ATOM 0 HB2 ASP A 86 126.431 -12.606 4.739 1.00 0.00 H new ATOM 0 HB3 ASP A 86 127.109 -13.903 5.701 1.00 0.00 H new ATOM 1369 N VAL A 87 126.438 -10.829 7.383 1.00 0.00 N ATOM 1370 CA VAL A 87 127.379 -10.044 8.243 1.00 0.00 C ATOM 1371 C VAL A 87 126.663 -9.266 9.355 1.00 0.00 C ATOM 1372 O VAL A 87 127.301 -8.813 10.289 1.00 0.00 O ATOM 1373 CB VAL A 87 128.071 -9.070 7.291 1.00 0.00 C ATOM 1374 CG1 VAL A 87 128.767 -9.853 6.176 1.00 0.00 C ATOM 1375 CG2 VAL A 87 127.035 -8.121 6.682 1.00 0.00 C ATOM 0 H VAL A 87 125.892 -10.284 6.716 1.00 0.00 H new ATOM 0 HA VAL A 87 128.072 -10.713 8.753 1.00 0.00 H new ATOM 0 HB VAL A 87 128.810 -8.490 7.843 1.00 0.00 H new ATOM 0 HG11 VAL A 87 129.261 -9.158 5.497 1.00 0.00 H new ATOM 0 HG12 VAL A 87 129.508 -10.524 6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 87 128.029 -10.436 5.625 1.00 0.00 H new ATOM 0 HG21 VAL A 87 127.531 -7.427 6.003 1.00 0.00 H new ATOM 0 HG22 VAL A 87 126.292 -8.698 6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 87 126.543 -7.561 7.477 1.00 0.00 H new ATOM 1385 N VAL A 88 125.367 -9.086 9.283 1.00 0.00 N ATOM 1386 CA VAL A 88 124.685 -8.314 10.369 1.00 0.00 C ATOM 1387 C VAL A 88 123.601 -9.141 11.071 1.00 0.00 C ATOM 1388 O VAL A 88 123.178 -10.175 10.593 1.00 0.00 O ATOM 1389 CB VAL A 88 124.070 -7.098 9.693 1.00 0.00 C ATOM 1390 CG1 VAL A 88 125.155 -6.304 8.968 1.00 0.00 C ATOM 1391 CG2 VAL A 88 122.996 -7.539 8.714 1.00 0.00 C ATOM 0 H VAL A 88 124.763 -9.431 8.537 1.00 0.00 H new ATOM 0 HA VAL A 88 125.399 -8.036 11.144 1.00 0.00 H new ATOM 0 HB VAL A 88 123.613 -6.459 10.449 1.00 0.00 H new ATOM 0 HG11 VAL A 88 124.709 -5.434 8.486 1.00 0.00 H new ATOM 0 HG12 VAL A 88 125.906 -5.975 9.686 1.00 0.00 H new ATOM 0 HG13 VAL A 88 125.625 -6.935 8.214 1.00 0.00 H new ATOM 0 HG21 VAL A 88 122.560 -6.663 8.234 1.00 0.00 H new ATOM 0 HG22 VAL A 88 123.438 -8.186 7.956 1.00 0.00 H new ATOM 0 HG23 VAL A 88 122.218 -8.085 9.248 1.00 0.00 H new ATOM 1401 N SER A 89 123.182 -8.700 12.223 1.00 0.00 N ATOM 1402 CA SER A 89 122.162 -9.460 13.000 1.00 0.00 C ATOM 1403 C SER A 89 120.814 -8.728 13.057 1.00 0.00 C ATOM 1404 O SER A 89 120.664 -7.625 12.558 1.00 0.00 O ATOM 1405 CB SER A 89 122.763 -9.552 14.400 1.00 0.00 C ATOM 1406 OG SER A 89 123.697 -10.624 14.440 1.00 0.00 O ATOM 0 H SER A 89 123.504 -7.839 12.664 1.00 0.00 H new ATOM 0 HA SER A 89 121.953 -10.429 12.547 1.00 0.00 H new ATOM 0 HB2 SER A 89 123.256 -8.615 14.659 1.00 0.00 H new ATOM 0 HB3 SER A 89 121.976 -9.712 15.137 1.00 0.00 H new ATOM 0 HG SER A 89 124.086 -10.685 15.337 1.00 0.00 H new ATOM 1412 N ASP A 90 119.839 -9.326 13.686 1.00 0.00 N ATOM 1413 CA ASP A 90 118.504 -8.671 13.805 1.00 0.00 C ATOM 1414 C ASP A 90 118.625 -7.374 14.612 1.00 0.00 C ATOM 1415 O ASP A 90 117.968 -6.390 14.324 1.00 0.00 O ATOM 1416 CB ASP A 90 117.609 -9.683 14.534 1.00 0.00 C ATOM 1417 CG ASP A 90 118.229 -10.106 15.880 1.00 0.00 C ATOM 1418 OD1 ASP A 90 119.395 -9.828 16.109 1.00 0.00 O1- ATOM 1419 OD2 ASP A 90 117.517 -10.714 16.661 1.00 0.00 O ATOM 0 H ASP A 90 119.910 -10.244 14.125 1.00 0.00 H new ATOM 0 HA ASP A 90 118.091 -8.405 12.832 1.00 0.00 H new ATOM 0 HB2 ASP A 90 116.625 -9.246 14.705 1.00 0.00 H new ATOM 0 HB3 ASP A 90 117.462 -10.562 13.906 1.00 0.00 H new ATOM 1424 N ASP A 91 119.465 -7.355 15.609 1.00 0.00 N ATOM 1425 CA ASP A 91 119.632 -6.113 16.415 1.00 0.00 C ATOM 1426 C ASP A 91 120.174 -5.005 15.514 1.00 0.00 C ATOM 1427 O ASP A 91 119.767 -3.864 15.602 1.00 0.00 O ATOM 1428 CB ASP A 91 120.635 -6.473 17.516 1.00 0.00 C ATOM 1429 CG ASP A 91 120.754 -5.316 18.516 1.00 0.00 C ATOM 1430 OD1 ASP A 91 120.163 -4.274 18.275 1.00 0.00 O1- ATOM 1431 OD2 ASP A 91 121.432 -5.496 19.514 1.00 0.00 O ATOM 0 H ASP A 91 120.042 -8.144 15.900 1.00 0.00 H new ATOM 0 HA ASP A 91 118.696 -5.755 16.845 1.00 0.00 H new ATOM 0 HB2 ASP A 91 120.313 -7.378 18.031 1.00 0.00 H new ATOM 0 HB3 ASP A 91 121.609 -6.686 17.076 1.00 0.00 H new ATOM 1436 N PHE A 92 121.066 -5.338 14.623 1.00 0.00 N ATOM 1437 CA PHE A 92 121.603 -4.310 13.690 1.00 0.00 C ATOM 1438 C PHE A 92 120.488 -3.849 12.745 1.00 0.00 C ATOM 1439 O PHE A 92 120.509 -2.748 12.231 1.00 0.00 O ATOM 1440 CB PHE A 92 122.745 -4.989 12.936 1.00 0.00 C ATOM 1441 CG PHE A 92 123.275 -4.066 11.867 1.00 0.00 C ATOM 1442 CD1 PHE A 92 124.229 -3.094 12.187 1.00 0.00 C ATOM 1443 CD2 PHE A 92 122.813 -4.187 10.552 1.00 0.00 C ATOM 1444 CE1 PHE A 92 124.722 -2.244 11.189 1.00 0.00 C ATOM 1445 CE2 PHE A 92 123.305 -3.339 9.555 1.00 0.00 C ATOM 1446 CZ PHE A 92 124.260 -2.367 9.872 1.00 0.00 C ATOM 0 H PHE A 92 121.446 -6.277 14.501 1.00 0.00 H new ATOM 0 HA PHE A 92 121.966 -3.421 14.205 1.00 0.00 H new ATOM 0 HB2 PHE A 92 123.544 -5.253 13.629 1.00 0.00 H new ATOM 0 HB3 PHE A 92 122.394 -5.917 12.486 1.00 0.00 H new ATOM 0 HD1 PHE A 92 124.585 -2.999 13.202 1.00 0.00 H new ATOM 0 HD2 PHE A 92 122.075 -4.937 10.307 1.00 0.00 H new ATOM 0 HE1 PHE A 92 125.459 -1.493 11.435 1.00 0.00 H new ATOM 0 HE2 PHE A 92 122.948 -3.434 8.540 1.00 0.00 H new ATOM 0 HZ PHE A 92 124.641 -1.712 9.102 1.00 0.00 H new ATOM 1456 N TRP A 93 119.507 -4.686 12.526 1.00 0.00 N ATOM 1457 CA TRP A 93 118.377 -4.306 11.629 1.00 0.00 C ATOM 1458 C TRP A 93 117.297 -3.551 12.420 1.00 0.00 C ATOM 1459 O TRP A 93 116.485 -2.832 11.870 1.00 0.00 O ATOM 1460 CB TRP A 93 117.821 -5.636 11.113 1.00 0.00 C ATOM 1461 CG TRP A 93 118.422 -5.958 9.781 1.00 0.00 C ATOM 1462 CD1 TRP A 93 119.700 -6.352 9.576 1.00 0.00 C ATOM 1463 CD2 TRP A 93 117.792 -5.931 8.466 1.00 0.00 C ATOM 1464 NE1 TRP A 93 119.888 -6.559 8.217 1.00 0.00 N ATOM 1465 CE2 TRP A 93 118.748 -6.312 7.498 1.00 0.00 C ATOM 1466 CE3 TRP A 93 116.499 -5.614 8.023 1.00 0.00 C ATOM 1467 CZ2 TRP A 93 118.439 -6.377 6.142 1.00 0.00 C ATOM 1468 CZ3 TRP A 93 116.182 -5.679 6.658 1.00 0.00 C ATOM 1469 CH2 TRP A 93 117.150 -6.060 5.720 1.00 0.00 C ATOM 0 H TRP A 93 119.441 -5.619 12.932 1.00 0.00 H new ATOM 0 HA TRP A 93 118.697 -3.649 10.820 1.00 0.00 H new ATOM 0 HB2 TRP A 93 118.042 -6.433 11.823 1.00 0.00 H new ATOM 0 HB3 TRP A 93 116.736 -5.578 11.027 1.00 0.00 H new ATOM 0 HD1 TRP A 93 120.449 -6.484 10.343 1.00 0.00 H new ATOM 0 HE1 TRP A 93 120.770 -6.859 7.802 1.00 0.00 H new ATOM 0 HE3 TRP A 93 115.744 -5.318 8.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 119.191 -6.670 5.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 115.184 -5.433 6.328 1.00 0.00 H new ATOM 0 HH2 TRP A 93 116.897 -6.108 4.671 1.00 0.00 H new ATOM 1480 N ASP A 94 117.255 -3.758 13.706 1.00 0.00 N ATOM 1481 CA ASP A 94 116.198 -3.114 14.536 1.00 0.00 C ATOM 1482 C ASP A 94 116.226 -1.591 14.420 1.00 0.00 C ATOM 1483 O ASP A 94 115.183 -0.962 14.443 1.00 0.00 O ATOM 1484 CB ASP A 94 116.495 -3.552 15.973 1.00 0.00 C ATOM 1485 CG ASP A 94 115.463 -2.953 16.939 1.00 0.00 C ATOM 1486 OD1 ASP A 94 114.657 -2.146 16.503 1.00 0.00 O ATOM 1487 OD2 ASP A 94 115.495 -3.316 18.103 1.00 0.00 O1- ATOM 0 H ASP A 94 117.909 -4.348 14.220 1.00 0.00 H new ATOM 0 HA ASP A 94 115.204 -3.415 14.206 1.00 0.00 H new ATOM 0 HB2 ASP A 94 116.476 -4.640 16.040 1.00 0.00 H new ATOM 0 HB3 ASP A 94 117.497 -3.232 16.258 1.00 0.00 H new ATOM 1492 N THR A 95 117.380 -0.977 14.310 1.00 0.00 N ATOM 1493 CA THR A 95 117.389 0.511 14.214 1.00 0.00 C ATOM 1494 C THR A 95 116.750 0.927 12.882 1.00 0.00 C ATOM 1495 O THR A 95 116.136 1.968 12.757 1.00 0.00 O ATOM 1496 CB THR A 95 118.859 0.918 14.297 1.00 0.00 C ATOM 1497 OG1 THR A 95 119.569 0.344 13.209 1.00 0.00 O ATOM 1498 CG2 THR A 95 119.449 0.412 15.615 1.00 0.00 C ATOM 0 H THR A 95 118.293 -1.431 14.283 1.00 0.00 H new ATOM 0 HA THR A 95 116.819 0.997 15.005 1.00 0.00 H new ATOM 0 HB THR A 95 118.942 2.004 14.253 1.00 0.00 H new ATOM 0 HG1 THR A 95 120.512 0.605 13.260 1.00 0.00 H new ATOM 0 HG21 THR A 95 120.498 0.700 15.678 1.00 0.00 H new ATOM 0 HG22 THR A 95 118.902 0.849 16.450 1.00 0.00 H new ATOM 0 HG23 THR A 95 119.368 -0.674 15.657 1.00 0.00 H new ATOM 1506 N THR A 96 116.912 0.091 11.887 1.00 0.00 N ATOM 1507 CA THR A 96 116.349 0.365 10.526 1.00 0.00 C ATOM 1508 C THR A 96 114.827 0.502 10.577 1.00 0.00 C ATOM 1509 O THR A 96 114.237 1.426 10.044 1.00 0.00 O ATOM 1510 CB THR A 96 116.680 -0.908 9.740 1.00 0.00 C ATOM 1511 OG1 THR A 96 118.036 -1.264 9.971 1.00 0.00 O ATOM 1512 CG2 THR A 96 116.464 -0.672 8.247 1.00 0.00 C ATOM 0 H THR A 96 117.422 -0.789 11.962 1.00 0.00 H new ATOM 0 HA THR A 96 116.750 1.284 10.099 1.00 0.00 H new ATOM 0 HB THR A 96 116.025 -1.714 10.072 1.00 0.00 H new ATOM 0 HG1 THR A 96 118.296 -1.979 9.353 1.00 0.00 H new ATOM 0 HG21 THR A 96 116.702 -1.582 7.697 1.00 0.00 H new ATOM 0 HG22 THR A 96 115.423 -0.401 8.068 1.00 0.00 H new ATOM 0 HG23 THR A 96 117.112 0.136 7.909 1.00 0.00 H new ATOM 1520 N ARG A 97 114.200 -0.443 11.217 1.00 0.00 N ATOM 1521 CA ARG A 97 112.716 -0.450 11.332 1.00 0.00 C ATOM 1522 C ARG A 97 112.208 0.659 12.253 1.00 0.00 C ATOM 1523 O ARG A 97 111.164 1.236 12.005 1.00 0.00 O ATOM 1524 CB ARG A 97 112.389 -1.826 11.909 1.00 0.00 C ATOM 1525 CG ARG A 97 112.668 -2.888 10.842 1.00 0.00 C ATOM 1526 CD ARG A 97 112.430 -4.282 11.423 1.00 0.00 C ATOM 1527 NE ARG A 97 112.687 -5.218 10.292 1.00 0.00 N ATOM 1528 CZ ARG A 97 112.716 -6.505 10.505 1.00 0.00 C ATOM 1529 NH1 ARG A 97 113.427 -6.988 11.487 1.00 0.00 N1+ ATOM 1530 NH2 ARG A 97 112.033 -7.307 9.735 1.00 0.00 N ATOM 0 H ARG A 97 114.664 -1.228 11.675 1.00 0.00 H new ATOM 0 HA ARG A 97 112.236 -0.268 10.370 1.00 0.00 H new ATOM 0 HB2 ARG A 97 112.992 -2.016 12.797 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.345 -1.867 12.218 1.00 0.00 H new ATOM 0 HG2 ARG A 97 112.021 -2.728 9.979 1.00 0.00 H new ATOM 0 HG3 ARG A 97 113.696 -2.802 10.490 1.00 0.00 H new ATOM 0 HD2 ARG A 97 113.099 -4.481 12.260 1.00 0.00 H new ATOM 0 HD3 ARG A 97 111.412 -4.385 11.798 1.00 0.00 H new ATOM 0 HE ARG A 97 112.840 -4.853 9.352 1.00 0.00 H new ATOM 0 HH11 ARG A 97 113.960 -6.359 12.088 1.00 0.00 H new ATOM 0 HH12 ARG A 97 113.450 -7.994 11.654 1.00 0.00 H new ATOM 0 HH21 ARG A 97 111.478 -6.928 8.968 1.00 0.00 H new ATOM 0 HH22 ARG A 97 112.054 -8.313 9.900 1.00 0.00 H new ATOM 1544 N ASN A 98 112.908 0.963 13.314 1.00 0.00 N ATOM 1545 CA ASN A 98 112.411 2.032 14.227 1.00 0.00 C ATOM 1546 C ASN A 98 112.393 3.386 13.508 1.00 0.00 C ATOM 1547 O ASN A 98 111.435 4.126 13.611 1.00 0.00 O ATOM 1548 CB ASN A 98 113.369 2.036 15.420 1.00 0.00 C ATOM 1549 CG ASN A 98 113.139 0.773 16.254 1.00 0.00 C ATOM 1550 OD1 ASN A 98 112.135 0.107 16.104 1.00 0.00 O ATOM 1551 ND2 ASN A 98 114.031 0.417 17.137 1.00 0.00 N ATOM 0 H ASN A 98 113.789 0.525 13.585 1.00 0.00 H new ATOM 0 HA ASN A 98 111.387 1.850 14.553 1.00 0.00 H new ATOM 0 HB2 ASN A 98 114.401 2.074 15.073 1.00 0.00 H new ATOM 0 HB3 ASN A 98 113.205 2.924 16.030 1.00 0.00 H new ATOM 0 HD21 ASN A 98 113.885 -0.420 17.701 1.00 0.00 H new ATOM 0 HD22 ASN A 98 114.875 0.976 17.264 1.00 0.00 H new ATOM 1558 N ALA A 99 113.420 3.727 12.776 1.00 0.00 N ATOM 1559 CA ALA A 99 113.416 5.041 12.060 1.00 0.00 C ATOM 1560 C ALA A 99 112.290 5.105 11.020 1.00 0.00 C ATOM 1561 O ALA A 99 111.512 6.044 10.999 1.00 0.00 O ATOM 1562 CB ALA A 99 114.780 5.110 11.368 1.00 0.00 C ATOM 0 H ALA A 99 114.257 3.159 12.642 1.00 0.00 H new ATOM 0 HA ALA A 99 113.248 5.873 12.745 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.861 6.047 10.817 1.00 0.00 H new ATOM 0 HB2 ALA A 99 115.571 5.059 12.117 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.880 4.273 10.677 1.00 0.00 H new ATOM 1568 N ILE A 100 112.176 4.122 10.164 1.00 0.00 N ATOM 1569 CA ILE A 100 111.081 4.159 9.153 1.00 0.00 C ATOM 1570 C ILE A 100 109.722 4.041 9.840 1.00 0.00 C ATOM 1571 O ILE A 100 108.795 4.728 9.488 1.00 0.00 O ATOM 1572 CB ILE A 100 111.323 2.965 8.212 1.00 0.00 C ATOM 1573 CG1 ILE A 100 112.591 3.212 7.394 1.00 0.00 C ATOM 1574 CG2 ILE A 100 110.137 2.808 7.244 1.00 0.00 C ATOM 1575 CD1 ILE A 100 112.995 1.926 6.672 1.00 0.00 C ATOM 0 H ILE A 100 112.786 3.306 10.122 1.00 0.00 H new ATOM 0 HA ILE A 100 111.079 5.098 8.600 1.00 0.00 H new ATOM 0 HB ILE A 100 111.430 2.060 8.811 1.00 0.00 H new ATOM 0 HG12 ILE A 100 112.419 4.009 6.670 1.00 0.00 H new ATOM 0 HG13 ILE A 100 113.398 3.543 8.047 1.00 0.00 H new ATOM 0 HG21 ILE A 100 110.317 1.961 6.582 1.00 0.00 H new ATOM 0 HG22 ILE A 100 109.223 2.636 7.813 1.00 0.00 H new ATOM 0 HG23 ILE A 100 110.029 3.716 6.650 1.00 0.00 H new ATOM 0 HD11 ILE A 100 113.899 2.104 6.090 1.00 0.00 H new ATOM 0 HD12 ILE A 100 113.184 1.141 7.405 1.00 0.00 H new ATOM 0 HD13 ILE A 100 112.190 1.614 6.006 1.00 0.00 H new ATOM 1587 N GLN A 101 109.601 3.165 10.799 1.00 0.00 N ATOM 1588 CA GLN A 101 108.287 2.984 11.488 1.00 0.00 C ATOM 1589 C GLN A 101 107.864 4.260 12.224 1.00 0.00 C ATOM 1590 O GLN A 101 106.710 4.639 12.206 1.00 0.00 O ATOM 1591 CB GLN A 101 108.514 1.843 12.481 1.00 0.00 C ATOM 1592 CG GLN A 101 107.193 1.507 13.176 1.00 0.00 C ATOM 1593 CD GLN A 101 107.422 0.392 14.198 1.00 0.00 C ATOM 1594 OE1 GLN A 101 108.170 0.561 15.140 1.00 0.00 O ATOM 1595 NE2 GLN A 101 106.804 -0.748 14.052 1.00 0.00 N ATOM 0 H GLN A 101 110.354 2.566 11.137 1.00 0.00 H new ATOM 0 HA GLN A 101 107.489 2.764 10.779 1.00 0.00 H new ATOM 0 HB2 GLN A 101 108.899 0.965 11.962 1.00 0.00 H new ATOM 0 HB3 GLN A 101 109.263 2.131 13.218 1.00 0.00 H new ATOM 0 HG2 GLN A 101 106.795 2.393 13.672 1.00 0.00 H new ATOM 0 HG3 GLN A 101 106.452 1.194 12.440 1.00 0.00 H new ATOM 0 HE21 GLN A 101 106.176 -0.890 13.261 1.00 0.00 H new ATOM 0 HE22 GLN A 101 106.949 -1.497 14.729 1.00 0.00 H new ATOM 1604 N LEU A 102 108.779 4.914 12.882 1.00 0.00 N ATOM 1605 CA LEU A 102 108.413 6.152 13.632 1.00 0.00 C ATOM 1606 C LEU A 102 107.911 7.256 12.696 1.00 0.00 C ATOM 1607 O LEU A 102 106.944 7.939 12.992 1.00 0.00 O ATOM 1608 CB LEU A 102 109.702 6.597 14.327 1.00 0.00 C ATOM 1609 CG LEU A 102 109.926 5.755 15.584 1.00 0.00 C ATOM 1610 CD1 LEU A 102 111.288 6.100 16.191 1.00 0.00 C ATOM 1611 CD2 LEU A 102 108.824 6.056 16.602 1.00 0.00 C ATOM 0 H LEU A 102 109.762 4.648 12.934 1.00 0.00 H new ATOM 0 HA LEU A 102 107.603 5.958 14.335 1.00 0.00 H new ATOM 0 HB2 LEU A 102 110.548 6.488 13.649 1.00 0.00 H new ATOM 0 HB3 LEU A 102 109.639 7.653 14.591 1.00 0.00 H new ATOM 0 HG LEU A 102 109.901 4.697 15.323 1.00 0.00 H new ATOM 0 HD11 LEU A 102 111.449 5.501 17.087 1.00 0.00 H new ATOM 0 HD12 LEU A 102 112.074 5.888 15.466 1.00 0.00 H new ATOM 0 HD13 LEU A 102 111.312 7.158 16.453 1.00 0.00 H new ATOM 0 HD21 LEU A 102 108.983 5.456 17.498 1.00 0.00 H new ATOM 0 HD22 LEU A 102 108.850 7.114 16.864 1.00 0.00 H new ATOM 0 HD23 LEU A 102 107.853 5.813 16.170 1.00 0.00 H new ATOM 1623 N GLN A 103 108.545 7.435 11.566 1.00 0.00 N ATOM 1624 CA GLN A 103 108.070 8.503 10.640 1.00 0.00 C ATOM 1625 C GLN A 103 106.808 8.016 9.925 1.00 0.00 C ATOM 1626 O GLN A 103 105.857 8.753 9.749 1.00 0.00 O ATOM 1627 CB GLN A 103 109.212 8.761 9.669 1.00 0.00 C ATOM 1628 CG GLN A 103 109.148 10.207 9.185 1.00 0.00 C ATOM 1629 CD GLN A 103 109.426 11.156 10.356 1.00 0.00 C ATOM 1630 OE1 GLN A 103 108.722 12.250 10.481 1.00 0.00 O flip ATOM 1631 NE2 GLN A 103 110.293 10.898 11.166 1.00 0.00 N flip ATOM 0 H GLN A 103 109.354 6.900 11.250 1.00 0.00 H new ATOM 0 HA GLN A 103 107.809 9.426 11.157 1.00 0.00 H new ATOM 0 HB2 GLN A 103 110.168 8.571 10.156 1.00 0.00 H new ATOM 0 HB3 GLN A 103 109.145 8.079 8.822 1.00 0.00 H new ATOM 0 HG2 GLN A 103 109.879 10.368 8.392 1.00 0.00 H new ATOM 0 HG3 GLN A 103 108.166 10.416 8.760 1.00 0.00 H new ATOM 0 HE21 GLN A 103 110.843 10.045 11.070 1.00 0.00 H new ATOM 0 HE22 GLN A 103 110.471 11.535 11.943 1.00 0.00 H new ATOM 1640 N PHE A 104 106.783 6.768 9.537 1.00 0.00 N ATOM 1641 CA PHE A 104 105.565 6.230 8.866 1.00 0.00 C ATOM 1642 C PHE A 104 104.386 6.366 9.820 1.00 0.00 C ATOM 1643 O PHE A 104 103.285 6.706 9.436 1.00 0.00 O ATOM 1644 CB PHE A 104 105.845 4.750 8.602 1.00 0.00 C ATOM 1645 CG PHE A 104 106.127 4.544 7.133 1.00 0.00 C ATOM 1646 CD1 PHE A 104 107.361 4.917 6.589 1.00 0.00 C ATOM 1647 CD2 PHE A 104 105.143 3.983 6.312 1.00 0.00 C ATOM 1648 CE1 PHE A 104 107.605 4.729 5.225 1.00 0.00 C ATOM 1649 CE2 PHE A 104 105.389 3.793 4.947 1.00 0.00 C ATOM 1650 CZ PHE A 104 106.621 4.168 4.403 1.00 0.00 C ATOM 0 H PHE A 104 107.547 6.103 9.655 1.00 0.00 H new ATOM 0 HA PHE A 104 105.334 6.759 7.942 1.00 0.00 H new ATOM 0 HB2 PHE A 104 106.696 4.419 9.196 1.00 0.00 H new ATOM 0 HB3 PHE A 104 104.989 4.147 8.907 1.00 0.00 H new ATOM 0 HD1 PHE A 104 108.123 5.349 7.221 1.00 0.00 H new ATOM 0 HD2 PHE A 104 104.191 3.696 6.733 1.00 0.00 H new ATOM 0 HE1 PHE A 104 108.557 5.018 4.804 1.00 0.00 H new ATOM 0 HE2 PHE A 104 104.629 3.358 4.316 1.00 0.00 H new ATOM 0 HZ PHE A 104 106.813 4.025 3.350 1.00 0.00 H new ATOM 1660 N LYS A 105 104.624 6.090 11.075 1.00 0.00 N ATOM 1661 CA LYS A 105 103.542 6.183 12.089 1.00 0.00 C ATOM 1662 C LYS A 105 103.038 7.623 12.188 1.00 0.00 C ATOM 1663 O LYS A 105 101.860 7.861 12.372 1.00 0.00 O ATOM 1664 CB LYS A 105 104.205 5.744 13.391 1.00 0.00 C ATOM 1665 CG LYS A 105 103.156 5.627 14.492 1.00 0.00 C ATOM 1666 CD LYS A 105 103.826 5.090 15.755 1.00 0.00 C ATOM 1667 CE LYS A 105 102.785 4.942 16.866 1.00 0.00 C ATOM 1668 NZ LYS A 105 103.537 4.379 18.023 1.00 0.00 N1+ ATOM 0 H LYS A 105 105.532 5.802 11.441 1.00 0.00 H new ATOM 0 HA LYS A 105 102.676 5.568 11.844 1.00 0.00 H new ATOM 0 HB2 LYS A 105 104.705 4.786 13.250 1.00 0.00 H new ATOM 0 HB3 LYS A 105 104.970 6.464 13.681 1.00 0.00 H new ATOM 0 HG2 LYS A 105 102.705 6.600 14.688 1.00 0.00 H new ATOM 0 HG3 LYS A 105 102.352 4.961 14.178 1.00 0.00 H new ATOM 0 HD2 LYS A 105 104.293 4.127 15.550 1.00 0.00 H new ATOM 0 HD3 LYS A 105 104.619 5.767 16.074 1.00 0.00 H new ATOM 0 HE2 LYS A 105 102.335 5.903 17.117 1.00 0.00 H new ATOM 0 HE3 LYS A 105 101.974 4.280 16.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 102.890 4.248 18.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 103.948 3.462 17.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 104.298 5.034 18.294 1.00 0.00 H new ATOM 1682 N GLN A 106 103.904 8.591 12.028 1.00 0.00 N ATOM 1683 CA GLN A 106 103.450 10.012 12.071 1.00 0.00 C ATOM 1684 C GLN A 106 102.757 10.374 10.751 1.00 0.00 C ATOM 1685 O GLN A 106 102.007 11.327 10.681 1.00 0.00 O ATOM 1686 CB GLN A 106 104.735 10.825 12.242 1.00 0.00 C ATOM 1687 CG GLN A 106 105.303 10.591 13.643 1.00 0.00 C ATOM 1688 CD GLN A 106 106.636 11.328 13.786 1.00 0.00 C ATOM 1689 OE1 GLN A 106 107.050 12.038 12.893 1.00 0.00 O ATOM 1690 NE2 GLN A 106 107.331 11.186 14.882 1.00 0.00 N ATOM 0 H GLN A 106 104.903 8.459 11.870 1.00 0.00 H new ATOM 0 HA GLN A 106 102.736 10.203 12.873 1.00 0.00 H new ATOM 0 HB2 GLN A 106 105.466 10.533 11.488 1.00 0.00 H new ATOM 0 HB3 GLN A 106 104.530 11.885 12.093 1.00 0.00 H new ATOM 0 HG2 GLN A 106 104.598 10.944 14.396 1.00 0.00 H new ATOM 0 HG3 GLN A 106 105.445 9.524 13.815 1.00 0.00 H new ATOM 0 HE21 GLN A 106 106.983 10.589 15.633 1.00 0.00 H new ATOM 0 HE22 GLN A 106 108.222 11.672 14.988 1.00 0.00 H new ATOM 1699 N GLY A 107 102.980 9.614 9.710 1.00 0.00 N ATOM 1700 CA GLY A 107 102.306 9.916 8.415 1.00 0.00 C ATOM 1701 C GLY A 107 103.289 10.521 7.406 1.00 0.00 C ATOM 1702 O GLY A 107 102.921 10.808 6.283 1.00 0.00 O ATOM 0 H GLY A 107 103.597 8.802 9.702 1.00 0.00 H new ATOM 0 HA2 GLY A 107 101.876 9.003 8.004 1.00 0.00 H new ATOM 0 HA3 GLY A 107 101.482 10.609 8.584 1.00 0.00 H new ATOM 1706 N ASN A 108 104.534 10.701 7.766 1.00 0.00 N ATOM 1707 CA ASN A 108 105.509 11.266 6.785 1.00 0.00 C ATOM 1708 C ASN A 108 106.333 10.132 6.171 1.00 0.00 C ATOM 1709 O ASN A 108 107.382 9.760 6.662 1.00 0.00 O ATOM 1710 CB ASN A 108 106.396 12.226 7.577 1.00 0.00 C ATOM 1711 CG ASN A 108 105.598 13.481 7.936 1.00 0.00 C ATOM 1712 OD1 ASN A 108 105.380 13.765 9.097 1.00 0.00 O ATOM 1713 ND2 ASN A 108 105.152 14.254 6.981 1.00 0.00 N ATOM 0 H ASN A 108 104.915 10.484 8.687 1.00 0.00 H new ATOM 0 HA ASN A 108 105.015 11.787 5.965 1.00 0.00 H new ATOM 0 HB2 ASN A 108 106.757 11.740 8.484 1.00 0.00 H new ATOM 0 HB3 ASN A 108 107.273 12.496 6.989 1.00 0.00 H new ATOM 0 HD21 ASN A 108 104.622 15.094 7.211 1.00 0.00 H new ATOM 0 HD22 ASN A 108 105.334 14.017 6.006 1.00 0.00 H new ATOM 1720 N PHE A 109 105.844 9.583 5.094 1.00 0.00 N ATOM 1721 CA PHE A 109 106.549 8.462 4.410 1.00 0.00 C ATOM 1722 C PHE A 109 107.903 8.897 3.857 1.00 0.00 C ATOM 1723 O PHE A 109 108.871 8.166 3.930 1.00 0.00 O ATOM 1724 CB PHE A 109 105.623 8.079 3.249 1.00 0.00 C ATOM 1725 CG PHE A 109 104.247 7.661 3.748 1.00 0.00 C ATOM 1726 CD1 PHE A 109 104.065 7.114 5.031 1.00 0.00 C ATOM 1727 CD2 PHE A 109 103.148 7.807 2.900 1.00 0.00 C ATOM 1728 CE1 PHE A 109 102.792 6.726 5.454 1.00 0.00 C ATOM 1729 CE2 PHE A 109 101.873 7.411 3.321 1.00 0.00 C ATOM 1730 CZ PHE A 109 101.695 6.874 4.598 1.00 0.00 C ATOM 0 H PHE A 109 104.971 9.869 4.651 1.00 0.00 H new ATOM 0 HA PHE A 109 106.747 7.641 5.099 1.00 0.00 H new ATOM 0 HB2 PHE A 109 105.523 8.924 2.568 1.00 0.00 H new ATOM 0 HB3 PHE A 109 106.069 7.263 2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 109 104.912 6.994 5.691 1.00 0.00 H new ATOM 0 HD2 PHE A 109 103.282 8.228 1.914 1.00 0.00 H new ATOM 0 HE1 PHE A 109 102.654 6.312 6.442 1.00 0.00 H new ATOM 0 HE2 PHE A 109 101.027 7.521 2.658 1.00 0.00 H new ATOM 0 HZ PHE A 109 100.711 6.573 4.925 1.00 0.00 H new ATOM 1740 N LYS A 110 107.981 10.060 3.272 1.00 0.00 N ATOM 1741 CA LYS A 110 109.279 10.497 2.684 1.00 0.00 C ATOM 1742 C LYS A 110 110.356 10.598 3.762 1.00 0.00 C ATOM 1743 O LYS A 110 111.459 10.117 3.594 1.00 0.00 O ATOM 1744 CB LYS A 110 108.997 11.870 2.076 1.00 0.00 C ATOM 1745 CG LYS A 110 110.269 12.436 1.443 1.00 0.00 C ATOM 1746 CD LYS A 110 109.983 13.849 0.935 1.00 0.00 C ATOM 1747 CE LYS A 110 111.247 14.447 0.306 1.00 0.00 C ATOM 1748 NZ LYS A 110 110.881 15.848 -0.074 1.00 0.00 N1+ ATOM 0 H LYS A 110 107.211 10.721 3.176 1.00 0.00 H new ATOM 0 HA LYS A 110 109.649 9.788 1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 110 108.212 11.789 1.324 1.00 0.00 H new ATOM 0 HB3 LYS A 110 108.631 12.549 2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 110 111.078 12.455 2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 110 110.597 11.799 0.621 1.00 0.00 H new ATOM 0 HD2 LYS A 110 109.178 13.824 0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 110 109.644 14.478 1.758 1.00 0.00 H new ATOM 0 HE2 LYS A 110 112.079 14.436 1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 110 111.560 13.873 -0.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 111.246 16.056 -1.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 109.846 15.950 -0.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 111.297 16.513 0.609 1.00 0.00 H new ATOM 1762 N GLN A 111 110.060 11.237 4.858 1.00 0.00 N ATOM 1763 CA GLN A 111 111.088 11.382 5.923 1.00 0.00 C ATOM 1764 C GLN A 111 111.464 10.010 6.494 1.00 0.00 C ATOM 1765 O GLN A 111 112.605 9.767 6.837 1.00 0.00 O ATOM 1766 CB GLN A 111 110.443 12.275 6.984 1.00 0.00 C ATOM 1767 CG GLN A 111 110.205 13.666 6.405 1.00 0.00 C ATOM 1768 CD GLN A 111 109.533 14.546 7.460 1.00 0.00 C ATOM 1769 OE1 GLN A 111 109.339 14.128 8.586 1.00 0.00 O ATOM 1770 NE2 GLN A 111 109.168 15.757 7.143 1.00 0.00 N ATOM 0 H GLN A 111 109.156 11.663 5.062 1.00 0.00 H new ATOM 0 HA GLN A 111 112.014 11.818 5.549 1.00 0.00 H new ATOM 0 HB2 GLN A 111 109.499 11.841 7.314 1.00 0.00 H new ATOM 0 HB3 GLN A 111 111.088 12.340 7.860 1.00 0.00 H new ATOM 0 HG2 GLN A 111 111.151 14.110 6.094 1.00 0.00 H new ATOM 0 HG3 GLN A 111 109.577 13.600 5.517 1.00 0.00 H new ATOM 0 HE21 GLN A 111 109.330 16.108 6.199 1.00 0.00 H new ATOM 0 HE22 GLN A 111 108.720 16.353 7.839 1.00 0.00 H new ATOM 1779 N GLY A 112 110.527 9.109 6.604 1.00 0.00 N ATOM 1780 CA GLY A 112 110.859 7.764 7.154 1.00 0.00 C ATOM 1781 C GLY A 112 111.809 7.025 6.206 1.00 0.00 C ATOM 1782 O GLY A 112 112.810 6.476 6.624 1.00 0.00 O ATOM 0 H GLY A 112 109.551 9.244 6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 112 111.321 7.868 8.136 1.00 0.00 H new ATOM 0 HA3 GLY A 112 109.947 7.184 7.292 1.00 0.00 H new ATOM 1786 N LEU A 113 111.499 6.988 4.936 1.00 0.00 N ATOM 1787 CA LEU A 113 112.384 6.264 3.972 1.00 0.00 C ATOM 1788 C LEU A 113 113.753 6.938 3.856 1.00 0.00 C ATOM 1789 O LEU A 113 114.777 6.283 3.851 1.00 0.00 O ATOM 1790 CB LEU A 113 111.655 6.342 2.632 1.00 0.00 C ATOM 1791 CG LEU A 113 110.384 5.505 2.702 1.00 0.00 C ATOM 1792 CD1 LEU A 113 109.530 5.766 1.462 1.00 0.00 C ATOM 1793 CD2 LEU A 113 110.753 4.022 2.770 1.00 0.00 C ATOM 0 H LEU A 113 110.675 7.426 4.525 1.00 0.00 H new ATOM 0 HA LEU A 113 112.567 5.240 4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 113 111.410 7.378 2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 113 112.300 5.979 1.832 1.00 0.00 H new ATOM 0 HG LEU A 113 109.818 5.778 3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 113 108.621 5.167 1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 113 109.266 6.823 1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 113 110.093 5.495 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 113 109.844 3.423 2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.320 3.747 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 113 111.358 3.838 3.658 1.00 0.00 H new ATOM 1805 N VAL A 114 113.782 8.238 3.748 1.00 0.00 N ATOM 1806 CA VAL A 114 115.091 8.932 3.616 1.00 0.00 C ATOM 1807 C VAL A 114 115.924 8.755 4.892 1.00 0.00 C ATOM 1808 O VAL A 114 117.098 8.452 4.831 1.00 0.00 O ATOM 1809 CB VAL A 114 114.747 10.407 3.350 1.00 0.00 C ATOM 1810 CG1 VAL A 114 114.079 11.044 4.564 1.00 0.00 C ATOM 1811 CG2 VAL A 114 116.027 11.170 3.012 1.00 0.00 C ATOM 0 H VAL A 114 112.962 8.845 3.746 1.00 0.00 H new ATOM 0 HA VAL A 114 115.698 8.524 2.807 1.00 0.00 H new ATOM 0 HB VAL A 114 114.050 10.454 2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 114 113.847 12.087 4.347 1.00 0.00 H new ATOM 0 HG12 VAL A 114 113.158 10.508 4.796 1.00 0.00 H new ATOM 0 HG13 VAL A 114 114.753 10.993 5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 114 115.788 12.216 2.823 1.00 0.00 H new ATOM 0 HG22 VAL A 114 116.722 11.103 3.849 1.00 0.00 H new ATOM 0 HG23 VAL A 114 116.485 10.736 2.123 1.00 0.00 H new ATOM 1821 N ASP A 115 115.337 8.947 6.045 1.00 0.00 N ATOM 1822 CA ASP A 115 116.117 8.794 7.300 1.00 0.00 C ATOM 1823 C ASP A 115 116.574 7.347 7.455 1.00 0.00 C ATOM 1824 O ASP A 115 117.693 7.078 7.839 1.00 0.00 O ATOM 1825 CB ASP A 115 115.160 9.180 8.429 1.00 0.00 C ATOM 1826 CG ASP A 115 115.887 9.093 9.778 1.00 0.00 C ATOM 1827 OD1 ASP A 115 117.015 8.622 9.804 1.00 0.00 O ATOM 1828 OD2 ASP A 115 115.303 9.504 10.765 1.00 0.00 O1- ATOM 0 H ASP A 115 114.357 9.202 6.167 1.00 0.00 H new ATOM 0 HA ASP A 115 117.011 9.417 7.305 1.00 0.00 H new ATOM 0 HB2 ASP A 115 114.786 10.192 8.271 1.00 0.00 H new ATOM 0 HB3 ASP A 115 114.295 8.517 8.428 1.00 0.00 H new ATOM 1833 N GLY A 116 115.715 6.410 7.162 1.00 0.00 N ATOM 1834 CA GLY A 116 116.102 4.980 7.299 1.00 0.00 C ATOM 1835 C GLY A 116 117.334 4.707 6.438 1.00 0.00 C ATOM 1836 O GLY A 116 118.248 4.019 6.846 1.00 0.00 O ATOM 0 H GLY A 116 114.763 6.574 6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 116 116.314 4.747 8.342 1.00 0.00 H new ATOM 0 HA3 GLY A 116 115.278 4.337 6.990 1.00 0.00 H new ATOM 1840 N ILE A 117 117.366 5.236 5.249 1.00 0.00 N ATOM 1841 CA ILE A 117 118.540 5.001 4.366 1.00 0.00 C ATOM 1842 C ILE A 117 119.798 5.618 4.998 1.00 0.00 C ATOM 1843 O ILE A 117 120.855 5.018 4.997 1.00 0.00 O ATOM 1844 CB ILE A 117 118.179 5.672 3.038 1.00 0.00 C ATOM 1845 CG1 ILE A 117 117.004 4.918 2.407 1.00 0.00 C ATOM 1846 CG2 ILE A 117 119.382 5.610 2.090 1.00 0.00 C ATOM 1847 CD1 ILE A 117 116.417 5.739 1.256 1.00 0.00 C ATOM 0 H ILE A 117 116.631 5.820 4.850 1.00 0.00 H new ATOM 0 HA ILE A 117 118.759 3.943 4.220 1.00 0.00 H new ATOM 0 HB ILE A 117 117.907 6.713 3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 117 117.338 3.948 2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 117 116.237 4.728 3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 117 119.125 6.088 1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 117 120.228 6.129 2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 117 119.650 4.569 1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 117 115.582 5.197 0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 117 116.066 6.699 1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 117 117.184 5.906 0.500 1.00 0.00 H new ATOM 1859 N GLU A 118 119.699 6.809 5.536 1.00 0.00 N ATOM 1860 CA GLU A 118 120.902 7.445 6.164 1.00 0.00 C ATOM 1861 C GLU A 118 121.444 6.570 7.300 1.00 0.00 C ATOM 1862 O GLU A 118 122.618 6.261 7.340 1.00 0.00 O ATOM 1863 CB GLU A 118 120.412 8.790 6.703 1.00 0.00 C ATOM 1864 CG GLU A 118 121.582 9.552 7.335 1.00 0.00 C ATOM 1865 CD GLU A 118 121.100 10.917 7.840 1.00 0.00 C ATOM 1866 OE1 GLU A 118 120.010 11.320 7.462 1.00 0.00 O ATOM 1867 OE2 GLU A 118 121.830 11.537 8.595 1.00 0.00 O1- ATOM 0 H GLU A 118 118.845 7.366 5.568 1.00 0.00 H new ATOM 0 HA GLU A 118 121.717 7.568 5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 118 119.976 9.379 5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 118 119.627 8.632 7.442 1.00 0.00 H new ATOM 0 HG2 GLU A 118 122.000 8.976 8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 118 122.379 9.685 6.603 1.00 0.00 H new ATOM 1874 N LYS A 119 120.608 6.157 8.221 1.00 0.00 N ATOM 1875 CA LYS A 119 121.114 5.294 9.330 1.00 0.00 C ATOM 1876 C LYS A 119 121.635 3.985 8.751 1.00 0.00 C ATOM 1877 O LYS A 119 122.692 3.508 9.114 1.00 0.00 O ATOM 1878 CB LYS A 119 119.925 5.041 10.257 1.00 0.00 C ATOM 1879 CG LYS A 119 119.580 6.325 11.010 1.00 0.00 C ATOM 1880 CD LYS A 119 118.433 6.052 11.984 1.00 0.00 C ATOM 1881 CE LYS A 119 118.113 7.326 12.767 1.00 0.00 C ATOM 1882 NZ LYS A 119 117.002 6.946 13.683 1.00 0.00 N1+ ATOM 0 H LYS A 119 119.612 6.376 8.253 1.00 0.00 H new ATOM 0 HA LYS A 119 121.932 5.766 9.875 1.00 0.00 H new ATOM 0 HB2 LYS A 119 119.065 4.705 9.678 1.00 0.00 H new ATOM 0 HB3 LYS A 119 120.164 4.246 10.963 1.00 0.00 H new ATOM 0 HG2 LYS A 119 120.453 6.687 11.552 1.00 0.00 H new ATOM 0 HG3 LYS A 119 119.295 7.107 10.306 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.551 5.717 11.438 1.00 0.00 H new ATOM 0 HD3 LYS A 119 118.707 5.250 12.670 1.00 0.00 H new ATOM 0 HE2 LYS A 119 118.982 7.676 13.324 1.00 0.00 H new ATOM 0 HE3 LYS A 119 117.815 8.135 12.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 116.907 7.664 14.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 116.114 6.886 13.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 117.208 6.023 14.115 1.00 0.00 H new ATOM 1896 N ALA A 120 120.919 3.416 7.822 1.00 0.00 N ATOM 1897 CA ALA A 120 121.390 2.156 7.186 1.00 0.00 C ATOM 1898 C ALA A 120 122.788 2.373 6.605 1.00 0.00 C ATOM 1899 O ALA A 120 123.667 1.547 6.742 1.00 0.00 O ATOM 1900 CB ALA A 120 120.382 1.884 6.070 1.00 0.00 C ATOM 0 H ALA A 120 120.027 3.770 7.476 1.00 0.00 H new ATOM 0 HA ALA A 120 121.454 1.324 7.887 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.656 0.968 5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 120 119.386 1.773 6.498 1.00 0.00 H new ATOM 0 HB3 ALA A 120 120.384 2.717 5.367 1.00 0.00 H new ATOM 1906 N GLY A 121 122.998 3.483 5.956 1.00 0.00 N ATOM 1907 CA GLY A 121 124.333 3.760 5.361 1.00 0.00 C ATOM 1908 C GLY A 121 125.390 3.847 6.466 1.00 0.00 C ATOM 1909 O GLY A 121 126.475 3.317 6.339 1.00 0.00 O ATOM 0 H GLY A 121 122.300 4.213 5.812 1.00 0.00 H new ATOM 0 HA2 GLY A 121 124.597 2.972 4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 121 124.304 4.694 4.800 1.00 0.00 H new ATOM 1913 N MET A 122 125.085 4.506 7.554 1.00 0.00 N ATOM 1914 CA MET A 122 126.084 4.610 8.659 1.00 0.00 C ATOM 1915 C MET A 122 126.318 3.238 9.301 1.00 0.00 C ATOM 1916 O MET A 122 127.443 2.822 9.525 1.00 0.00 O ATOM 1917 CB MET A 122 125.454 5.559 9.677 1.00 0.00 C ATOM 1918 CG MET A 122 125.363 6.976 9.101 1.00 0.00 C ATOM 1919 SD MET A 122 127.019 7.600 8.727 1.00 0.00 S ATOM 1920 CE MET A 122 127.643 7.700 10.423 1.00 0.00 C ATOM 0 H MET A 122 124.195 4.973 7.725 1.00 0.00 H new ATOM 0 HA MET A 122 127.049 4.967 8.300 1.00 0.00 H new ATOM 0 HB2 MET A 122 124.459 5.205 9.947 1.00 0.00 H new ATOM 0 HB3 MET A 122 126.048 5.568 10.591 1.00 0.00 H new ATOM 0 HG2 MET A 122 124.754 6.971 8.197 1.00 0.00 H new ATOM 0 HG3 MET A 122 124.869 7.636 9.814 1.00 0.00 H new ATOM 0 HE1 MET A 122 128.425 8.457 10.479 1.00 0.00 H new ATOM 0 HE2 MET A 122 126.828 7.969 11.095 1.00 0.00 H new ATOM 0 HE3 MET A 122 128.052 6.734 10.718 1.00 0.00 H new ATOM 1930 N ALA A 123 125.262 2.530 9.599 1.00 0.00 N ATOM 1931 CA ALA A 123 125.428 1.191 10.228 1.00 0.00 C ATOM 1932 C ALA A 123 126.147 0.264 9.256 1.00 0.00 C ATOM 1933 O ALA A 123 127.087 -0.420 9.611 1.00 0.00 O ATOM 1934 CB ALA A 123 124.010 0.700 10.516 1.00 0.00 C ATOM 0 H ALA A 123 124.298 2.820 9.435 1.00 0.00 H new ATOM 0 HA ALA A 123 126.022 1.223 11.141 1.00 0.00 H new ATOM 0 HB1 ALA A 123 124.053 -0.285 10.982 1.00 0.00 H new ATOM 0 HB2 ALA A 123 123.513 1.398 11.189 1.00 0.00 H new ATOM 0 HB3 ALA A 123 123.451 0.636 9.583 1.00 0.00 H new ATOM 1940 N LEU A 124 125.732 0.259 8.022 1.00 0.00 N ATOM 1941 CA LEU A 124 126.412 -0.597 7.019 1.00 0.00 C ATOM 1942 C LEU A 124 127.861 -0.143 6.901 1.00 0.00 C ATOM 1943 O LEU A 124 128.765 -0.942 6.776 1.00 0.00 O ATOM 1944 CB LEU A 124 125.673 -0.344 5.707 1.00 0.00 C ATOM 1945 CG LEU A 124 124.267 -0.937 5.783 1.00 0.00 C ATOM 1946 CD1 LEU A 124 123.444 -0.436 4.594 1.00 0.00 C ATOM 1947 CD2 LEU A 124 124.355 -2.461 5.735 1.00 0.00 C ATOM 0 H LEU A 124 124.951 0.811 7.666 1.00 0.00 H new ATOM 0 HA LEU A 124 126.403 -1.654 7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 124 125.616 0.727 5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 124 126.222 -0.791 4.878 1.00 0.00 H new ATOM 0 HG LEU A 124 123.790 -0.631 6.714 1.00 0.00 H new ATOM 0 HD11 LEU A 124 122.440 -0.857 4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 124 123.384 0.652 4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 124 123.922 -0.746 3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 124 123.352 -2.885 5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 124 124.829 -2.769 4.803 1.00 0.00 H new ATOM 0 HD23 LEU A 124 124.946 -2.818 6.578 1.00 0.00 H new ATOM 1959 N ALA A 125 128.086 1.146 6.918 1.00 0.00 N ATOM 1960 CA ALA A 125 129.475 1.662 6.782 1.00 0.00 C ATOM 1961 C ALA A 125 130.386 1.008 7.818 1.00 0.00 C ATOM 1962 O ALA A 125 131.545 0.750 7.558 1.00 0.00 O ATOM 1963 CB ALA A 125 129.366 3.168 7.019 1.00 0.00 C ATOM 0 H ALA A 125 127.366 1.861 7.020 1.00 0.00 H new ATOM 0 HA ALA A 125 129.906 1.440 5.806 1.00 0.00 H new ATOM 0 HB1 ALA A 125 130.353 3.622 6.935 1.00 0.00 H new ATOM 0 HB2 ALA A 125 128.701 3.606 6.275 1.00 0.00 H new ATOM 0 HB3 ALA A 125 128.966 3.351 8.016 1.00 0.00 H new ATOM 1969 N LYS A 126 129.878 0.722 8.986 1.00 0.00 N ATOM 1970 CA LYS A 126 130.735 0.067 10.015 1.00 0.00 C ATOM 1971 C LYS A 126 131.170 -1.308 9.504 1.00 0.00 C ATOM 1972 O LYS A 126 132.317 -1.695 9.605 1.00 0.00 O ATOM 1973 CB LYS A 126 129.840 -0.082 11.242 1.00 0.00 C ATOM 1974 CG LYS A 126 130.678 -0.584 12.417 1.00 0.00 C ATOM 1975 CD LYS A 126 129.809 -0.661 13.670 1.00 0.00 C ATOM 1976 CE LYS A 126 130.660 -1.133 14.849 1.00 0.00 C ATOM 1977 NZ LYS A 126 129.726 -1.175 16.005 1.00 0.00 N1+ ATOM 0 H LYS A 126 128.917 0.911 9.270 1.00 0.00 H new ATOM 0 HA LYS A 126 131.635 0.639 10.241 1.00 0.00 H new ATOM 0 HB2 LYS A 126 129.380 0.875 11.490 1.00 0.00 H new ATOM 0 HB3 LYS A 126 129.030 -0.780 11.033 1.00 0.00 H new ATOM 0 HG2 LYS A 126 131.092 -1.566 12.188 1.00 0.00 H new ATOM 0 HG3 LYS A 126 131.521 0.085 12.588 1.00 0.00 H new ATOM 0 HD2 LYS A 126 129.377 0.316 13.887 1.00 0.00 H new ATOM 0 HD3 LYS A 126 128.978 -1.348 13.508 1.00 0.00 H new ATOM 0 HE2 LYS A 126 131.093 -2.114 14.655 1.00 0.00 H new ATOM 0 HE3 LYS A 126 131.489 -0.450 15.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 130.238 -1.491 16.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 129.335 -0.226 16.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 128.951 -1.838 15.801 1.00 0.00 H new ATOM 1991 N TYR A 127 130.248 -2.037 8.938 1.00 0.00 N ATOM 1992 CA TYR A 127 130.577 -3.383 8.394 1.00 0.00 C ATOM 1993 C TYR A 127 131.392 -3.241 7.104 1.00 0.00 C ATOM 1994 O TYR A 127 132.317 -3.988 6.850 1.00 0.00 O ATOM 1995 CB TYR A 127 129.222 -4.041 8.128 1.00 0.00 C ATOM 1996 CG TYR A 127 128.609 -4.448 9.447 1.00 0.00 C ATOM 1997 CD1 TYR A 127 127.928 -3.506 10.228 1.00 0.00 C ATOM 1998 CD2 TYR A 127 128.733 -5.769 9.896 1.00 0.00 C ATOM 1999 CE1 TYR A 127 127.370 -3.885 11.455 1.00 0.00 C ATOM 2000 CE2 TYR A 127 128.177 -6.147 11.125 1.00 0.00 C ATOM 2001 CZ TYR A 127 127.496 -5.205 11.904 1.00 0.00 C ATOM 2002 OH TYR A 127 126.950 -5.578 13.116 1.00 0.00 O ATOM 0 H TYR A 127 129.274 -1.755 8.829 1.00 0.00 H new ATOM 0 HA TYR A 127 131.182 -3.979 9.078 1.00 0.00 H new ATOM 0 HB2 TYR A 127 128.563 -3.349 7.604 1.00 0.00 H new ATOM 0 HB3 TYR A 127 129.346 -4.912 7.485 1.00 0.00 H new ATOM 0 HD1 TYR A 127 127.833 -2.487 9.884 1.00 0.00 H new ATOM 0 HD2 TYR A 127 129.258 -6.497 9.294 1.00 0.00 H new ATOM 0 HE1 TYR A 127 126.842 -3.159 12.055 1.00 0.00 H new ATOM 0 HE2 TYR A 127 128.274 -7.165 11.471 1.00 0.00 H new ATOM 0 HH TYR A 127 127.127 -6.529 13.276 1.00 0.00 H new ATOM 2012 N PHE A 128 131.045 -2.279 6.291 1.00 0.00 N ATOM 2013 CA PHE A 128 131.781 -2.063 5.015 1.00 0.00 C ATOM 2014 C PHE A 128 132.144 -0.577 4.857 1.00 0.00 C ATOM 2015 O PHE A 128 131.324 0.215 4.433 1.00 0.00 O ATOM 2016 CB PHE A 128 130.819 -2.501 3.918 1.00 0.00 C ATOM 2017 CG PHE A 128 130.589 -3.988 4.019 1.00 0.00 C ATOM 2018 CD1 PHE A 128 131.646 -4.878 3.794 1.00 0.00 C ATOM 2019 CD2 PHE A 128 129.317 -4.478 4.335 1.00 0.00 C ATOM 2020 CE1 PHE A 128 131.431 -6.258 3.884 1.00 0.00 C ATOM 2021 CE2 PHE A 128 129.101 -5.858 4.427 1.00 0.00 C ATOM 2022 CZ PHE A 128 130.158 -6.747 4.201 1.00 0.00 C ATOM 0 H PHE A 128 130.277 -1.629 6.459 1.00 0.00 H new ATOM 0 HA PHE A 128 132.715 -2.623 4.979 1.00 0.00 H new ATOM 0 HB2 PHE A 128 129.873 -1.968 4.014 1.00 0.00 H new ATOM 0 HB3 PHE A 128 131.228 -2.251 2.939 1.00 0.00 H new ATOM 0 HD1 PHE A 128 132.628 -4.499 3.551 1.00 0.00 H new ATOM 0 HD2 PHE A 128 128.502 -3.791 4.508 1.00 0.00 H new ATOM 0 HE1 PHE A 128 132.246 -6.945 3.709 1.00 0.00 H new ATOM 0 HE2 PHE A 128 128.120 -6.236 4.672 1.00 0.00 H new ATOM 0 HZ PHE A 128 129.991 -7.812 4.271 1.00 0.00 H new ATOM 2032 N PRO A 129 133.369 -0.244 5.200 1.00 0.00 N ATOM 2033 CA PRO A 129 133.839 1.161 5.087 1.00 0.00 C ATOM 2034 C PRO A 129 133.978 1.578 3.620 1.00 0.00 C ATOM 2035 O PRO A 129 134.168 0.761 2.741 1.00 0.00 O ATOM 2036 CB PRO A 129 135.193 1.147 5.794 1.00 0.00 C ATOM 2037 CG PRO A 129 135.660 -0.269 5.712 1.00 0.00 C ATOM 2038 CD PRO A 129 134.430 -1.129 5.717 1.00 0.00 C ATOM 0 HA PRO A 129 133.145 1.877 5.527 1.00 0.00 H new ATOM 0 HB2 PRO A 129 135.898 1.823 5.310 1.00 0.00 H new ATOM 0 HB3 PRO A 129 135.100 1.472 6.830 1.00 0.00 H new ATOM 0 HG2 PRO A 129 136.243 -0.432 4.806 1.00 0.00 H new ATOM 0 HG3 PRO A 129 136.306 -0.513 6.555 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.557 -2.009 5.087 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.197 -1.486 6.720 1.00 0.00 H new ATOM 2046 N TRP A 130 133.868 2.854 3.355 1.00 0.00 N ATOM 2047 CA TRP A 130 133.974 3.347 1.952 1.00 0.00 C ATOM 2048 C TRP A 130 135.425 3.349 1.483 1.00 0.00 C ATOM 2049 O TRP A 130 136.353 3.399 2.266 1.00 0.00 O ATOM 2050 CB TRP A 130 133.450 4.783 1.985 1.00 0.00 C ATOM 2051 CG TRP A 130 133.302 5.276 0.578 1.00 0.00 C ATOM 2052 CD1 TRP A 130 132.349 4.859 -0.288 1.00 0.00 C ATOM 2053 CD2 TRP A 130 134.107 6.258 -0.143 1.00 0.00 C ATOM 2054 NE1 TRP A 130 132.509 5.526 -1.488 1.00 0.00 N ATOM 2055 CE2 TRP A 130 133.582 6.398 -1.452 1.00 0.00 C ATOM 2056 CE3 TRP A 130 135.228 7.035 0.206 1.00 0.00 C ATOM 2057 CZ2 TRP A 130 134.148 7.276 -2.379 1.00 0.00 C ATOM 2058 CZ3 TRP A 130 135.802 7.919 -0.727 1.00 0.00 C ATOM 2059 CH2 TRP A 130 135.262 8.039 -2.015 1.00 0.00 C ATOM 0 H TRP A 130 133.708 3.579 4.055 1.00 0.00 H new ATOM 0 HA TRP A 130 133.413 2.710 1.268 1.00 0.00 H new ATOM 0 HB2 TRP A 130 132.491 4.823 2.502 1.00 0.00 H new ATOM 0 HB3 TRP A 130 134.137 5.423 2.539 1.00 0.00 H new ATOM 0 HD1 TRP A 130 131.587 4.124 -0.076 1.00 0.00 H new ATOM 0 HE1 TRP A 130 131.909 5.391 -2.301 1.00 0.00 H new ATOM 0 HE3 TRP A 130 135.650 6.952 1.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 133.728 7.365 -3.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 136.663 8.508 -0.449 1.00 0.00 H new ATOM 0 HH2 TRP A 130 135.706 8.720 -2.726 1.00 0.00 H new ATOM 2070 N LYS A 131 135.613 3.335 0.197 1.00 0.00 N ATOM 2071 CA LYS A 131 136.985 3.380 -0.367 1.00 0.00 C ATOM 2072 C LYS A 131 136.972 4.283 -1.601 1.00 0.00 C ATOM 2073 O LYS A 131 135.954 4.441 -2.246 1.00 0.00 O ATOM 2074 CB LYS A 131 137.337 1.937 -0.735 1.00 0.00 C ATOM 2075 CG LYS A 131 137.453 1.095 0.537 1.00 0.00 C ATOM 2076 CD LYS A 131 137.830 -0.340 0.163 1.00 0.00 C ATOM 2077 CE LYS A 131 136.657 -1.001 -0.564 1.00 0.00 C ATOM 2078 NZ LYS A 131 137.043 -2.433 -0.699 1.00 0.00 N1+ ATOM 0 H LYS A 131 134.865 3.294 -0.495 1.00 0.00 H new ATOM 0 HA LYS A 131 137.720 3.780 0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 131 136.571 1.521 -1.390 1.00 0.00 H new ATOM 0 HB3 LYS A 131 138.277 1.911 -1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 131 138.207 1.520 1.200 1.00 0.00 H new ATOM 0 HG3 LYS A 131 136.508 1.105 1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 131 138.714 -0.341 -0.474 1.00 0.00 H new ATOM 0 HD3 LYS A 131 138.083 -0.907 1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 131 135.731 -0.894 0.002 1.00 0.00 H new ATOM 0 HE3 LYS A 131 136.489 -0.544 -1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 136.286 -2.952 -1.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 137.924 -2.505 -1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 137.189 -2.844 0.245 1.00 0.00 H new ATOM 2092 N LYS A 132 138.067 4.912 -1.912 1.00 0.00 N ATOM 2093 CA LYS A 132 138.077 5.841 -3.078 1.00 0.00 C ATOM 2094 C LYS A 132 137.751 5.101 -4.373 1.00 0.00 C ATOM 2095 O LYS A 132 137.152 5.656 -5.274 1.00 0.00 O ATOM 2096 CB LYS A 132 139.484 6.434 -3.122 1.00 0.00 C ATOM 2097 CG LYS A 132 139.696 7.309 -1.886 1.00 0.00 C ATOM 2098 CD LYS A 132 141.091 7.932 -1.929 1.00 0.00 C ATOM 2099 CE LYS A 132 141.297 8.801 -0.686 1.00 0.00 C ATOM 2100 NZ LYS A 132 142.666 9.367 -0.833 1.00 0.00 N1+ ATOM 0 H LYS A 132 138.953 4.826 -1.414 1.00 0.00 H new ATOM 0 HA LYS A 132 137.320 6.618 -2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 132 140.227 5.637 -3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 132 139.615 7.025 -4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 132 138.939 8.092 -1.849 1.00 0.00 H new ATOM 0 HG3 LYS A 132 139.582 6.711 -0.982 1.00 0.00 H new ATOM 0 HD2 LYS A 132 141.850 7.150 -1.970 1.00 0.00 H new ATOM 0 HD3 LYS A 132 141.205 8.534 -2.830 1.00 0.00 H new ATOM 0 HE2 LYS A 132 140.548 9.591 -0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 132 141.210 8.211 0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 142.880 9.975 -0.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 143.359 8.593 -0.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 142.717 9.929 -1.706 1.00 0.00 H new ATOM 2114 N ASP A 133 138.125 3.855 -4.476 1.00 0.00 N ATOM 2115 CA ASP A 133 137.810 3.103 -5.723 1.00 0.00 C ATOM 2116 C ASP A 133 136.436 2.408 -5.619 1.00 0.00 C ATOM 2117 O ASP A 133 136.048 1.663 -6.497 1.00 0.00 O ATOM 2118 CB ASP A 133 138.938 2.090 -5.893 1.00 0.00 C ATOM 2119 CG ASP A 133 140.268 2.830 -6.034 1.00 0.00 C ATOM 2120 OD1 ASP A 133 140.292 3.842 -6.716 1.00 0.00 O1- ATOM 2121 OD2 ASP A 133 141.242 2.374 -5.458 1.00 0.00 O ATOM 0 H ASP A 133 138.629 3.331 -3.761 1.00 0.00 H new ATOM 0 HA ASP A 133 137.744 3.766 -6.586 1.00 0.00 H new ATOM 0 HB2 ASP A 133 138.972 1.419 -5.034 1.00 0.00 H new ATOM 0 HB3 ASP A 133 138.758 1.473 -6.773 1.00 0.00 H new ATOM 2126 N ASP A 134 135.704 2.652 -4.543 1.00 0.00 N ATOM 2127 CA ASP A 134 134.360 2.029 -4.350 1.00 0.00 C ATOM 2128 C ASP A 134 133.545 2.032 -5.642 1.00 0.00 C ATOM 2129 O ASP A 134 133.560 2.973 -6.412 1.00 0.00 O ATOM 2130 CB ASP A 134 133.682 2.933 -3.323 1.00 0.00 C ATOM 2131 CG ASP A 134 132.299 2.374 -2.963 1.00 0.00 C ATOM 2132 OD1 ASP A 134 131.873 1.418 -3.593 1.00 0.00 O1- ATOM 2133 OD2 ASP A 134 131.688 2.913 -2.060 1.00 0.00 O ATOM 0 H ASP A 134 135.995 3.268 -3.784 1.00 0.00 H new ATOM 0 HA ASP A 134 134.440 0.988 -4.038 1.00 0.00 H new ATOM 0 HB2 ASP A 134 134.298 3.005 -2.427 1.00 0.00 H new ATOM 0 HB3 ASP A 134 133.582 3.942 -3.724 1.00 0.00 H new ATOM 2138 N ILE A 135 132.855 0.966 -5.882 1.00 0.00 N ATOM 2139 CA ILE A 135 132.031 0.843 -7.131 1.00 0.00 C ATOM 2140 C ILE A 135 130.525 0.790 -6.818 1.00 0.00 C ATOM 2141 O ILE A 135 130.095 0.218 -5.838 1.00 0.00 O ATOM 2142 CB ILE A 135 132.493 -0.460 -7.844 1.00 0.00 C ATOM 2143 CG1 ILE A 135 132.867 -1.595 -6.850 1.00 0.00 C ATOM 2144 CG2 ILE A 135 133.716 -0.144 -8.709 1.00 0.00 C ATOM 2145 CD1 ILE A 135 131.680 -1.930 -5.934 1.00 0.00 C ATOM 0 H ILE A 135 132.817 0.155 -5.265 1.00 0.00 H new ATOM 0 HA ILE A 135 132.177 1.715 -7.768 1.00 0.00 H new ATOM 0 HB ILE A 135 131.655 -0.814 -8.445 1.00 0.00 H new ATOM 0 HG12 ILE A 135 133.168 -2.485 -7.403 1.00 0.00 H new ATOM 0 HG13 ILE A 135 133.723 -1.290 -6.247 1.00 0.00 H new ATOM 0 HG21 ILE A 135 134.049 -1.051 -9.214 1.00 0.00 H new ATOM 0 HG22 ILE A 135 133.452 0.609 -9.452 1.00 0.00 H new ATOM 0 HG23 ILE A 135 134.520 0.236 -8.078 1.00 0.00 H new ATOM 0 HD11 ILE A 135 131.964 -2.727 -5.247 1.00 0.00 H new ATOM 0 HD12 ILE A 135 131.398 -1.044 -5.365 1.00 0.00 H new ATOM 0 HD13 ILE A 135 130.835 -2.257 -6.539 1.00 0.00 H new ATOM 2157 N ASP A 136 129.718 1.404 -7.648 1.00 0.00 N ATOM 2158 CA ASP A 136 128.244 1.404 -7.401 1.00 0.00 C ATOM 2159 C ASP A 136 127.546 0.389 -8.318 1.00 0.00 C ATOM 2160 O ASP A 136 127.256 0.658 -9.466 1.00 0.00 O ATOM 2161 CB ASP A 136 127.791 2.826 -7.735 1.00 0.00 C ATOM 2162 CG ASP A 136 128.325 3.807 -6.683 1.00 0.00 C ATOM 2163 OD1 ASP A 136 128.857 3.352 -5.681 1.00 0.00 O ATOM 2164 OD2 ASP A 136 128.190 5.000 -6.899 1.00 0.00 O1- ATOM 0 H ASP A 136 130.017 1.905 -8.485 1.00 0.00 H new ATOM 0 HA ASP A 136 127.998 1.123 -6.377 1.00 0.00 H new ATOM 0 HB2 ASP A 136 128.152 3.109 -8.724 1.00 0.00 H new ATOM 0 HB3 ASP A 136 126.702 2.872 -7.768 1.00 0.00 H new ATOM 2169 N GLU A 137 127.299 -0.785 -7.807 1.00 0.00 N ATOM 2170 CA GLU A 137 126.644 -1.864 -8.612 1.00 0.00 C ATOM 2171 C GLU A 137 125.170 -1.565 -8.913 1.00 0.00 C ATOM 2172 O GLU A 137 124.651 -1.963 -9.937 1.00 0.00 O ATOM 2173 CB GLU A 137 126.733 -3.100 -7.718 1.00 0.00 C ATOM 2174 CG GLU A 137 128.201 -3.479 -7.525 1.00 0.00 C ATOM 2175 CD GLU A 137 128.790 -3.938 -8.859 1.00 0.00 C ATOM 2176 OE1 GLU A 137 128.019 -4.323 -9.724 1.00 0.00 O1- ATOM 2177 OE2 GLU A 137 130.001 -3.901 -8.992 1.00 0.00 O ATOM 0 H GLU A 137 127.526 -1.050 -6.849 1.00 0.00 H new ATOM 0 HA GLU A 137 127.131 -1.976 -9.581 1.00 0.00 H new ATOM 0 HB2 GLU A 137 126.267 -2.899 -6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 137 126.188 -3.929 -8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 137 128.761 -2.625 -7.143 1.00 0.00 H new ATOM 0 HG3 GLU A 137 128.288 -4.274 -6.784 1.00 0.00 H new ATOM 2184 N LEU A 138 124.481 -0.913 -8.019 1.00 0.00 N ATOM 2185 CA LEU A 138 123.032 -0.648 -8.260 1.00 0.00 C ATOM 2186 C LEU A 138 122.742 0.849 -8.468 1.00 0.00 C ATOM 2187 O LEU A 138 123.419 1.690 -7.908 1.00 0.00 O ATOM 2188 CB LEU A 138 122.343 -1.141 -6.989 1.00 0.00 C ATOM 2189 CG LEU A 138 121.659 -2.481 -7.263 1.00 0.00 C ATOM 2190 CD1 LEU A 138 122.702 -3.601 -7.243 1.00 0.00 C ATOM 2191 CD2 LEU A 138 120.613 -2.744 -6.179 1.00 0.00 C ATOM 0 H LEU A 138 124.852 -0.554 -7.139 1.00 0.00 H new ATOM 0 HA LEU A 138 122.683 -1.146 -9.165 1.00 0.00 H new ATOM 0 HB2 LEU A 138 123.073 -1.251 -6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 138 121.609 -0.408 -6.654 1.00 0.00 H new ATOM 0 HG LEU A 138 121.177 -2.451 -8.240 1.00 0.00 H new ATOM 0 HD11 LEU A 138 122.214 -4.556 -7.438 1.00 0.00 H new ATOM 0 HD12 LEU A 138 123.452 -3.413 -8.011 1.00 0.00 H new ATOM 0 HD13 LEU A 138 123.183 -3.633 -6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 138 120.123 -3.699 -6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 138 121.099 -2.775 -5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 138 119.870 -1.946 -6.189 1.00 0.00 H new ATOM 2203 N PRO A 139 121.720 1.135 -9.247 1.00 0.00 N ATOM 2204 CA PRO A 139 121.322 2.543 -9.491 1.00 0.00 C ATOM 2205 C PRO A 139 120.637 3.096 -8.242 1.00 0.00 C ATOM 2206 O PRO A 139 120.627 2.460 -7.204 1.00 0.00 O ATOM 2207 CB PRO A 139 120.342 2.448 -10.658 1.00 0.00 C ATOM 2208 CG PRO A 139 119.787 1.062 -10.588 1.00 0.00 C ATOM 2209 CD PRO A 139 120.846 0.190 -9.969 1.00 0.00 C ATOM 0 HA PRO A 139 122.159 3.205 -9.713 1.00 0.00 H new ATOM 0 HB2 PRO A 139 119.552 3.194 -10.571 1.00 0.00 H new ATOM 0 HB3 PRO A 139 120.844 2.624 -11.610 1.00 0.00 H new ATOM 0 HG2 PRO A 139 118.875 1.042 -9.991 1.00 0.00 H new ATOM 0 HG3 PRO A 139 119.525 0.702 -11.583 1.00 0.00 H new ATOM 0 HD2 PRO A 139 120.410 -0.545 -9.292 1.00 0.00 H new ATOM 0 HD3 PRO A 139 121.399 -0.363 -10.728 1.00 0.00 H new ATOM 2217 N ASN A 140 120.047 4.253 -8.318 1.00 0.00 N ATOM 2218 CA ASN A 140 119.350 4.816 -7.130 1.00 0.00 C ATOM 2219 C ASN A 140 117.890 5.164 -7.482 1.00 0.00 C ATOM 2220 O ASN A 140 117.162 5.688 -6.662 1.00 0.00 O ATOM 2221 CB ASN A 140 120.125 6.090 -6.789 1.00 0.00 C ATOM 2222 CG ASN A 140 120.126 7.027 -8.003 1.00 0.00 C ATOM 2223 OD1 ASN A 140 120.431 6.620 -9.106 1.00 0.00 O ATOM 2224 ND2 ASN A 140 119.793 8.276 -7.847 1.00 0.00 N ATOM 0 H ASN A 140 120.017 4.836 -9.154 1.00 0.00 H new ATOM 0 HA ASN A 140 119.321 4.112 -6.298 1.00 0.00 H new ATOM 0 HB2 ASN A 140 119.670 6.587 -5.933 1.00 0.00 H new ATOM 0 HB3 ASN A 140 121.148 5.842 -6.507 1.00 0.00 H new ATOM 0 HD21 ASN A 140 119.789 8.907 -8.649 1.00 0.00 H new ATOM 0 HD22 ASN A 140 119.536 8.624 -6.923 1.00 0.00 H new ATOM 2231 N THR A 141 117.462 4.900 -8.697 1.00 0.00 N ATOM 2232 CA THR A 141 116.067 5.245 -9.087 1.00 0.00 C ATOM 2233 C THR A 141 115.060 4.503 -8.215 1.00 0.00 C ATOM 2234 O THR A 141 115.399 3.608 -7.466 1.00 0.00 O ATOM 2235 CB THR A 141 115.939 4.802 -10.544 1.00 0.00 C ATOM 2236 OG1 THR A 141 116.473 3.493 -10.690 1.00 0.00 O ATOM 2237 CG2 THR A 141 116.700 5.772 -11.450 1.00 0.00 C ATOM 0 H THR A 141 118.021 4.462 -9.429 1.00 0.00 H new ATOM 0 HA THR A 141 115.864 6.308 -8.961 1.00 0.00 H new ATOM 0 HB THR A 141 114.887 4.799 -10.828 1.00 0.00 H new ATOM 0 HG1 THR A 141 116.389 3.208 -11.624 1.00 0.00 H new ATOM 0 HG21 THR A 141 116.605 5.451 -12.487 1.00 0.00 H new ATOM 0 HG22 THR A 141 116.285 6.774 -11.341 1.00 0.00 H new ATOM 0 HG23 THR A 141 117.753 5.783 -11.168 1.00 0.00 H new ATOM 2245 N ILE A 142 113.822 4.899 -8.292 1.00 0.00 N ATOM 2246 CA ILE A 142 112.767 4.262 -7.455 1.00 0.00 C ATOM 2247 C ILE A 142 112.055 3.152 -8.234 1.00 0.00 C ATOM 2248 O ILE A 142 111.668 3.325 -9.373 1.00 0.00 O ATOM 2249 CB ILE A 142 111.795 5.398 -7.123 1.00 0.00 C ATOM 2250 CG1 ILE A 142 112.561 6.552 -6.463 1.00 0.00 C ATOM 2251 CG2 ILE A 142 110.723 4.889 -6.156 1.00 0.00 C ATOM 2252 CD1 ILE A 142 113.240 6.051 -5.188 1.00 0.00 C ATOM 0 H ILE A 142 113.492 5.644 -8.905 1.00 0.00 H new ATOM 0 HA ILE A 142 113.178 3.796 -6.559 1.00 0.00 H new ATOM 0 HB ILE A 142 111.324 5.748 -8.041 1.00 0.00 H new ATOM 0 HG12 ILE A 142 113.306 6.949 -7.152 1.00 0.00 H new ATOM 0 HG13 ILE A 142 111.878 7.368 -6.227 1.00 0.00 H new ATOM 0 HG21 ILE A 142 110.032 5.698 -5.920 1.00 0.00 H new ATOM 0 HG22 ILE A 142 110.176 4.068 -6.619 1.00 0.00 H new ATOM 0 HG23 ILE A 142 111.197 4.538 -5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 142 113.784 6.871 -4.719 1.00 0.00 H new ATOM 0 HD12 ILE A 142 112.485 5.675 -4.498 1.00 0.00 H new ATOM 0 HD13 ILE A 142 113.935 5.250 -5.437 1.00 0.00 H new ATOM 2264 N SER A 143 111.860 2.019 -7.616 1.00 0.00 N ATOM 2265 CA SER A 143 111.152 0.896 -8.298 1.00 0.00 C ATOM 2266 C SER A 143 109.647 0.975 -8.011 1.00 0.00 C ATOM 2267 O SER A 143 109.232 1.144 -6.881 1.00 0.00 O ATOM 2268 CB SER A 143 111.736 -0.372 -7.680 1.00 0.00 C ATOM 2269 OG SER A 143 113.007 -0.643 -8.251 1.00 0.00 O ATOM 0 H SER A 143 112.162 1.821 -6.662 1.00 0.00 H new ATOM 0 HA SER A 143 111.280 0.923 -9.380 1.00 0.00 H new ATOM 0 HB2 SER A 143 111.830 -0.252 -6.601 1.00 0.00 H new ATOM 0 HB3 SER A 143 111.064 -1.213 -7.850 1.00 0.00 H new ATOM 0 HG SER A 143 113.308 -1.533 -7.973 1.00 0.00 H new ATOM 2275 N LYS A 144 108.827 0.848 -9.020 1.00 0.00 N ATOM 2276 CA LYS A 144 107.352 0.913 -8.791 1.00 0.00 C ATOM 2277 C LYS A 144 106.656 -0.304 -9.415 1.00 0.00 C ATOM 2278 O LYS A 144 107.054 -0.789 -10.455 1.00 0.00 O ATOM 2279 CB LYS A 144 106.884 2.190 -9.498 1.00 0.00 C ATOM 2280 CG LYS A 144 107.476 3.429 -8.820 1.00 0.00 C ATOM 2281 CD LYS A 144 106.964 4.680 -9.541 1.00 0.00 C ATOM 2282 CE LYS A 144 107.564 5.934 -8.901 1.00 0.00 C ATOM 2283 NZ LYS A 144 107.016 7.068 -9.700 1.00 0.00 N1+ ATOM 0 H LYS A 144 109.112 0.703 -9.989 1.00 0.00 H new ATOM 0 HA LYS A 144 107.114 0.917 -7.727 1.00 0.00 H new ATOM 0 HB2 LYS A 144 107.185 2.163 -10.545 1.00 0.00 H new ATOM 0 HB3 LYS A 144 105.795 2.244 -9.480 1.00 0.00 H new ATOM 0 HG2 LYS A 144 107.190 3.456 -7.768 1.00 0.00 H new ATOM 0 HG3 LYS A 144 108.565 3.393 -8.854 1.00 0.00 H new ATOM 0 HD2 LYS A 144 107.232 4.637 -10.597 1.00 0.00 H new ATOM 0 HD3 LYS A 144 105.876 4.720 -9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 144 107.281 6.016 -7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 144 108.653 5.914 -8.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 107.381 7.966 -9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 107.307 6.965 -10.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 105.978 7.064 -9.641 1.00 0.00 H new ATOM 2297 N GLY A 145 105.616 -0.797 -8.797 1.00 0.00 N ATOM 2298 CA GLY A 145 104.897 -1.974 -9.370 1.00 0.00 C ATOM 2299 C GLY A 145 105.482 -3.268 -8.800 1.00 0.00 C ATOM 2300 O GLY A 145 106.465 -3.742 -9.347 1.00 0.00 O ATOM 2301 OXT GLY A 145 104.935 -3.765 -7.830 1.00 0.00 O ATOM 0 H GLY A 145 105.233 -0.437 -7.923 1.00 0.00 H new ATOM 0 HA2 GLY A 145 103.834 -1.911 -9.137 1.00 0.00 H new ATOM 0 HA3 GLY A 145 104.985 -1.972 -10.456 1.00 0.00 H new TER 2305 GLY A 145