USER MOD reduce.3.24.130724 H: found=0, std=0, add=1146, rem=0, adj=24 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 52 HIS :FLIP no HE2:sc= 0.0818 F(o=-0.84,f=0.082) USER MOD Set 1.2: A 79 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 34 HIS : no HD1:sc= 0.87 K(o=2.2,f=-6.5!) USER MOD Set 2.2: A 143 SER OG : rot -81:sc= 1.32 USER MOD Single : A 1 MET CE :methyl -153:sc= -0.119 (180deg=-0.988) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.375 (180deg=-0.695) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.078 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= 0 K(o=0,f=-1.3!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 28 SER OG : rot 180:sc=0.000265 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= 0.0299 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.169 K(o=-0.17,f=-1.7!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -105:sc= -6.94! (180deg=-11.9!) USER MOD Single : A 58 ASN : amide:sc= -1.12 K(o=-1.1,f=-4.5!) USER MOD Single : A 59 THR OG1 : rot -160:sc= -1.53 USER MOD Single : A 60 LYS NZ :NH3+ 153:sc= -0.0989 (180deg=-0.939) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 63 ASN : amide:sc= -6.03! C(o=-6!,f=-12!) USER MOD Single : A 68 TYR OH : rot 174:sc= 0.379 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -130:sc= -2.8! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.799 K(o=-0.8,f=-1.9!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00974 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0631 USER MOD Single : A 98 ASN : amide:sc= -0.0715 K(o=-0.072,f=-2.3!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 103 GLN : amide:sc= -0.981 K(o=-0.98,f=-3.3!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 108 ASN : amide:sc= -0.048 K(o=-0.048,f=-1.7!) USER MOD Single : A 110 LYS NZ :NH3+ -139:sc= -1.95! (180deg=-2.71!) USER MOD Single : A 111 GLN : amide:sc= -0.776 K(o=-0.78,f=-2.4!) USER MOD Single : A 119 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.8) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) 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= -2.77! C(o=-2.8!,f=-4.9!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ -120:sc= -0.424 (180deg=-0.829) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 99.499 7.452 -15.074 1.00 0.00 N ATOM 2 CA MET A 1 99.975 7.362 -13.659 1.00 0.00 C ATOM 3 C MET A 1 100.867 6.126 -13.458 1.00 0.00 C ATOM 4 O MET A 1 101.268 5.821 -12.354 1.00 0.00 O ATOM 5 CB MET A 1 98.712 7.222 -12.806 1.00 0.00 C ATOM 6 CG MET A 1 97.899 8.518 -12.851 1.00 0.00 C ATOM 7 SD MET A 1 96.421 8.335 -11.821 1.00 0.00 S ATOM 8 CE MET A 1 95.538 7.162 -12.884 1.00 0.00 C ATOM 0 H1 MET A 1 99.044 8.374 -15.229 1.00 0.00 H new ATOM 0 H2 MET A 1 100.308 7.353 -15.720 1.00 0.00 H new ATOM 0 H3 MET A 1 98.814 6.692 -15.259 1.00 0.00 H new ATOM 0 HA MET A 1 100.565 8.237 -13.389 1.00 0.00 H new ATOM 0 HB2 MET A 1 98.108 6.392 -13.171 1.00 0.00 H new ATOM 0 HB3 MET A 1 98.983 6.990 -11.776 1.00 0.00 H new ATOM 0 HG2 MET A 1 98.503 9.352 -12.495 1.00 0.00 H new ATOM 0 HG3 MET A 1 97.614 8.746 -13.878 1.00 0.00 H new ATOM 0 HE1 MET A 1 94.464 7.266 -12.728 1.00 0.00 H new ATOM 0 HE2 MET A 1 95.774 7.368 -13.928 1.00 0.00 H new ATOM 0 HE3 MET A 1 95.844 6.145 -12.637 1.00 0.00 H new ATOM 20 N SER A 2 101.178 5.404 -14.502 1.00 0.00 N ATOM 21 CA SER A 2 102.036 4.200 -14.332 1.00 0.00 C ATOM 22 C SER A 2 103.376 4.601 -13.705 1.00 0.00 C ATOM 23 O SER A 2 103.893 3.926 -12.838 1.00 0.00 O ATOM 24 CB SER A 2 102.240 3.665 -15.745 1.00 0.00 C ATOM 25 OG SER A 2 100.983 3.278 -16.285 1.00 0.00 O ATOM 0 H SER A 2 100.877 5.596 -15.457 1.00 0.00 H new ATOM 0 HA SER A 2 101.588 3.453 -13.676 1.00 0.00 H new ATOM 0 HB2 SER A 2 102.699 4.428 -16.373 1.00 0.00 H new ATOM 0 HB3 SER A 2 102.920 2.813 -15.729 1.00 0.00 H new ATOM 0 HG SER A 2 101.109 2.935 -17.194 1.00 0.00 H new ATOM 31 N LYS A 3 103.937 5.697 -14.135 1.00 0.00 N ATOM 32 CA LYS A 3 105.239 6.144 -13.565 1.00 0.00 C ATOM 33 C LYS A 3 105.090 6.460 -12.072 1.00 0.00 C ATOM 34 O LYS A 3 105.928 6.103 -11.267 1.00 0.00 O ATOM 35 CB LYS A 3 105.584 7.418 -14.343 1.00 0.00 C ATOM 36 CG LYS A 3 105.862 7.071 -15.810 1.00 0.00 C ATOM 37 CD LYS A 3 106.098 8.362 -16.604 1.00 0.00 C ATOM 38 CE LYS A 3 106.251 8.031 -18.093 1.00 0.00 C ATOM 39 NZ LYS A 3 106.482 9.344 -18.764 1.00 0.00 N1+ ATOM 0 H LYS A 3 103.549 6.303 -14.858 1.00 0.00 H new ATOM 0 HA LYS A 3 106.012 5.380 -13.651 1.00 0.00 H new ATOM 0 HB2 LYS A 3 104.761 8.129 -14.278 1.00 0.00 H new ATOM 0 HB3 LYS A 3 106.457 7.899 -13.902 1.00 0.00 H new ATOM 0 HG2 LYS A 3 106.735 6.422 -15.882 1.00 0.00 H new ATOM 0 HG3 LYS A 3 105.020 6.521 -16.231 1.00 0.00 H new ATOM 0 HD2 LYS A 3 105.264 9.048 -16.458 1.00 0.00 H new ATOM 0 HD3 LYS A 3 106.993 8.866 -16.240 1.00 0.00 H new ATOM 0 HE2 LYS A 3 107.086 7.351 -18.261 1.00 0.00 H new ATOM 0 HE3 LYS A 3 105.358 7.542 -18.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 106.596 9.196 -19.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 105.669 9.969 -18.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 107.343 9.783 -18.380 1.00 0.00 H new ATOM 53 N ILE A 4 104.037 7.136 -11.694 1.00 0.00 N ATOM 54 CA ILE A 4 103.848 7.483 -10.254 1.00 0.00 C ATOM 55 C ILE A 4 102.421 7.149 -9.807 1.00 0.00 C ATOM 56 O ILE A 4 101.462 7.382 -10.517 1.00 0.00 O ATOM 57 CB ILE A 4 104.101 8.992 -10.187 1.00 0.00 C ATOM 58 CG1 ILE A 4 103.068 9.716 -11.055 1.00 0.00 C ATOM 59 CG2 ILE A 4 105.513 9.305 -10.701 1.00 0.00 C ATOM 60 CD1 ILE A 4 103.255 11.226 -10.924 1.00 0.00 C ATOM 0 H ILE A 4 103.300 7.463 -12.319 1.00 0.00 H new ATOM 0 HA ILE A 4 104.516 6.925 -9.598 1.00 0.00 H new ATOM 0 HB ILE A 4 104.013 9.329 -9.154 1.00 0.00 H new ATOM 0 HG12 ILE A 4 103.179 9.415 -12.097 1.00 0.00 H new ATOM 0 HG13 ILE A 4 102.060 9.436 -10.748 1.00 0.00 H new ATOM 0 HG21 ILE A 4 105.688 10.380 -10.651 1.00 0.00 H new ATOM 0 HG22 ILE A 4 106.248 8.789 -10.083 1.00 0.00 H new ATOM 0 HG23 ILE A 4 105.607 8.969 -11.734 1.00 0.00 H new ATOM 0 HD11 ILE A 4 102.519 11.739 -11.543 1.00 0.00 H new ATOM 0 HD12 ILE A 4 103.122 11.520 -9.883 1.00 0.00 H new ATOM 0 HD13 ILE A 4 104.258 11.498 -11.253 1.00 0.00 H new ATOM 72 N GLU A 5 102.269 6.604 -8.636 1.00 0.00 N ATOM 73 CA GLU A 5 100.907 6.252 -8.154 1.00 0.00 C ATOM 74 C GLU A 5 100.482 7.200 -7.028 1.00 0.00 C ATOM 75 O GLU A 5 100.178 6.775 -5.931 1.00 0.00 O ATOM 76 CB GLU A 5 101.045 4.830 -7.624 1.00 0.00 C ATOM 77 CG GLU A 5 101.369 3.874 -8.777 1.00 0.00 C ATOM 78 CD GLU A 5 101.538 2.444 -8.240 1.00 0.00 C ATOM 79 OE1 GLU A 5 101.329 2.241 -7.052 1.00 0.00 O ATOM 80 OE2 GLU A 5 101.878 1.576 -9.026 1.00 0.00 O1- ATOM 0 H GLU A 5 103.029 6.387 -7.991 1.00 0.00 H new ATOM 0 HA GLU A 5 100.154 6.332 -8.938 1.00 0.00 H new ATOM 0 HB2 GLU A 5 101.833 4.787 -6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 5 100.121 4.524 -7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 5 100.571 3.901 -9.519 1.00 0.00 H new ATOM 0 HG3 GLU A 5 102.282 4.193 -9.280 1.00 0.00 H new ATOM 87 N GLU A 6 100.454 8.480 -7.288 1.00 0.00 N ATOM 88 CA GLU A 6 100.043 9.450 -6.231 1.00 0.00 C ATOM 89 C GLU A 6 100.848 9.242 -4.952 1.00 0.00 C ATOM 90 O GLU A 6 100.428 9.617 -3.876 1.00 0.00 O ATOM 91 CB GLU A 6 98.567 9.154 -5.986 1.00 0.00 C ATOM 92 CG GLU A 6 97.765 9.587 -7.210 1.00 0.00 C ATOM 93 CD GLU A 6 97.911 11.099 -7.402 1.00 0.00 C ATOM 94 OE1 GLU A 6 98.278 11.769 -6.448 1.00 0.00 O ATOM 95 OE2 GLU A 6 97.655 11.563 -8.500 1.00 0.00 O1- ATOM 0 H GLU A 6 100.698 8.896 -8.187 1.00 0.00 H new ATOM 0 HA GLU A 6 100.216 10.482 -6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 6 98.422 8.090 -5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 6 98.218 9.685 -5.100 1.00 0.00 H new ATOM 0 HG2 GLU A 6 98.119 9.060 -8.096 1.00 0.00 H new ATOM 0 HG3 GLU A 6 96.715 9.325 -7.082 1.00 0.00 H new ATOM 102 N PHE A 7 102.002 8.648 -5.054 1.00 0.00 N ATOM 103 CA PHE A 7 102.823 8.422 -3.835 1.00 0.00 C ATOM 104 C PHE A 7 103.545 9.715 -3.427 1.00 0.00 C ATOM 105 O PHE A 7 103.177 10.360 -2.466 1.00 0.00 O ATOM 106 CB PHE A 7 103.829 7.340 -4.234 1.00 0.00 C ATOM 107 CG PHE A 7 104.785 7.100 -3.091 1.00 0.00 C ATOM 108 CD1 PHE A 7 104.293 6.946 -1.788 1.00 0.00 C ATOM 109 CD2 PHE A 7 106.158 7.034 -3.334 1.00 0.00 C ATOM 110 CE1 PHE A 7 105.175 6.723 -0.731 1.00 0.00 C ATOM 111 CE2 PHE A 7 107.042 6.811 -2.273 1.00 0.00 C ATOM 112 CZ PHE A 7 106.549 6.654 -0.971 1.00 0.00 C ATOM 0 H PHE A 7 102.411 8.310 -5.925 1.00 0.00 H new ATOM 0 HA PHE A 7 102.219 8.121 -2.979 1.00 0.00 H new ATOM 0 HB2 PHE A 7 103.307 6.417 -4.486 1.00 0.00 H new ATOM 0 HB3 PHE A 7 104.378 7.648 -5.124 1.00 0.00 H new ATOM 0 HD1 PHE A 7 103.230 7.000 -1.602 1.00 0.00 H new ATOM 0 HD2 PHE A 7 106.537 7.155 -4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 7 104.795 6.604 0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 7 108.105 6.760 -2.458 1.00 0.00 H new ATOM 0 HZ PHE A 7 107.232 6.480 -0.153 1.00 0.00 H new ATOM 122 N LEU A 8 104.563 10.103 -4.150 1.00 0.00 N ATOM 123 CA LEU A 8 105.290 11.358 -3.796 1.00 0.00 C ATOM 124 C LEU A 8 105.433 12.242 -5.040 1.00 0.00 C ATOM 125 O LEU A 8 105.513 11.755 -6.150 1.00 0.00 O ATOM 126 CB LEU A 8 106.671 10.917 -3.293 1.00 0.00 C ATOM 127 CG LEU A 8 106.532 10.105 -1.997 1.00 0.00 C ATOM 128 CD1 LEU A 8 107.895 9.525 -1.606 1.00 0.00 C ATOM 129 CD2 LEU A 8 106.033 11.013 -0.871 1.00 0.00 C ATOM 0 H LEU A 8 104.921 9.608 -4.967 1.00 0.00 H new ATOM 0 HA LEU A 8 104.759 11.936 -3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 8 107.168 10.317 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 8 107.298 11.791 -3.117 1.00 0.00 H new ATOM 0 HG LEU A 8 105.820 9.295 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 8 107.795 8.949 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 8 108.256 8.876 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 8 108.605 10.337 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 8 105.935 10.434 0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 8 106.745 11.824 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 8 105.063 11.429 -1.142 1.00 0.00 H new ATOM 141 N THR A 9 105.472 13.536 -4.868 1.00 0.00 N ATOM 142 CA THR A 9 105.620 14.433 -6.049 1.00 0.00 C ATOM 143 C THR A 9 107.079 14.433 -6.514 1.00 0.00 C ATOM 144 O THR A 9 107.948 13.894 -5.860 1.00 0.00 O ATOM 145 CB THR A 9 105.207 15.823 -5.560 1.00 0.00 C ATOM 146 OG1 THR A 9 105.361 16.760 -6.615 1.00 0.00 O ATOM 147 CG2 THR A 9 106.087 16.234 -4.381 1.00 0.00 C ATOM 0 H THR A 9 105.408 14.008 -3.966 1.00 0.00 H new ATOM 0 HA THR A 9 105.010 14.113 -6.894 1.00 0.00 H new ATOM 0 HB THR A 9 104.165 15.800 -5.242 1.00 0.00 H new ATOM 0 HG1 THR A 9 105.095 17.650 -6.303 1.00 0.00 H new ATOM 0 HG21 THR A 9 105.791 17.224 -4.034 1.00 0.00 H new ATOM 0 HG22 THR A 9 105.968 15.515 -3.570 1.00 0.00 H new ATOM 0 HG23 THR A 9 107.130 16.256 -4.696 1.00 0.00 H new ATOM 155 N ALA A 10 107.350 15.022 -7.644 1.00 0.00 N ATOM 156 CA ALA A 10 108.749 15.041 -8.157 1.00 0.00 C ATOM 157 C ALA A 10 109.699 15.633 -7.109 1.00 0.00 C ATOM 158 O ALA A 10 110.806 15.167 -6.928 1.00 0.00 O ATOM 159 CB ALA A 10 108.688 15.934 -9.396 1.00 0.00 C ATOM 0 H ALA A 10 106.664 15.491 -8.235 1.00 0.00 H new ATOM 0 HA ALA A 10 109.123 14.043 -8.383 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.680 16.006 -9.842 1.00 0.00 H new ATOM 0 HB2 ALA A 10 107.995 15.505 -10.120 1.00 0.00 H new ATOM 0 HB3 ALA A 10 108.346 16.929 -9.111 1.00 0.00 H new ATOM 165 N GLU A 11 109.274 16.648 -6.413 1.00 0.00 N ATOM 166 CA GLU A 11 110.151 17.259 -5.372 1.00 0.00 C ATOM 167 C GLU A 11 110.525 16.227 -4.303 1.00 0.00 C ATOM 168 O GLU A 11 111.670 16.118 -3.904 1.00 0.00 O ATOM 169 CB GLU A 11 109.293 18.360 -4.746 1.00 0.00 C ATOM 170 CG GLU A 11 110.121 19.099 -3.693 1.00 0.00 C ATOM 171 CD GLU A 11 109.284 20.210 -3.050 1.00 0.00 C ATOM 172 OE1 GLU A 11 108.084 20.234 -3.276 1.00 0.00 O1- ATOM 173 OE2 GLU A 11 109.859 21.019 -2.340 1.00 0.00 O ATOM 0 H GLU A 11 108.357 17.083 -6.518 1.00 0.00 H new ATOM 0 HA GLU A 11 111.084 17.634 -5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 11 108.954 19.055 -5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 11 108.402 17.929 -4.290 1.00 0.00 H new ATOM 0 HG2 GLU A 11 110.460 18.400 -2.929 1.00 0.00 H new ATOM 0 HG3 GLU A 11 111.013 19.525 -4.153 1.00 0.00 H new ATOM 180 N GLU A 12 109.568 15.482 -3.827 1.00 0.00 N ATOM 181 CA GLU A 12 109.858 14.470 -2.769 1.00 0.00 C ATOM 182 C GLU A 12 110.680 13.300 -3.320 1.00 0.00 C ATOM 183 O GLU A 12 111.627 12.853 -2.702 1.00 0.00 O ATOM 184 CB GLU A 12 108.480 13.994 -2.306 1.00 0.00 C ATOM 185 CG GLU A 12 107.763 15.134 -1.573 1.00 0.00 C ATOM 186 CD GLU A 12 106.325 14.722 -1.235 1.00 0.00 C ATOM 187 OE1 GLU A 12 105.909 13.657 -1.669 1.00 0.00 O1- ATOM 188 OE2 GLU A 12 105.658 15.484 -0.555 1.00 0.00 O ATOM 0 H GLU A 12 108.594 15.529 -4.125 1.00 0.00 H new ATOM 0 HA GLU A 12 110.451 14.891 -1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 12 107.889 13.670 -3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 12 108.584 13.132 -1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 12 108.302 15.385 -0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 12 107.756 16.029 -2.195 1.00 0.00 H new ATOM 195 N GLU A 13 110.334 12.800 -4.476 1.00 0.00 N ATOM 196 CA GLU A 13 111.104 11.663 -5.063 1.00 0.00 C ATOM 197 C GLU A 13 112.530 12.116 -5.412 1.00 0.00 C ATOM 198 O GLU A 13 113.482 11.383 -5.226 1.00 0.00 O ATOM 199 CB GLU A 13 110.331 11.274 -6.328 1.00 0.00 C ATOM 200 CG GLU A 13 108.958 10.706 -5.940 1.00 0.00 C ATOM 201 CD GLU A 13 108.133 10.411 -7.201 1.00 0.00 C ATOM 202 OE1 GLU A 13 108.656 10.588 -8.291 1.00 0.00 O1- ATOM 203 OE2 GLU A 13 106.989 10.013 -7.054 1.00 0.00 O ATOM 0 H GLU A 13 109.551 13.130 -5.040 1.00 0.00 H new ATOM 0 HA GLU A 13 111.200 10.824 -4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.207 12.144 -6.972 1.00 0.00 H new ATOM 0 HB3 GLU A 13 110.894 10.534 -6.897 1.00 0.00 H new ATOM 0 HG2 GLU A 13 109.085 9.794 -5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 13 108.427 11.417 -5.307 1.00 0.00 H new ATOM 210 N LYS A 14 112.691 13.314 -5.916 1.00 0.00 N ATOM 211 CA LYS A 14 114.062 13.797 -6.268 1.00 0.00 C ATOM 212 C LYS A 14 114.952 13.848 -5.019 1.00 0.00 C ATOM 213 O LYS A 14 116.090 13.423 -5.041 1.00 0.00 O ATOM 214 CB LYS A 14 113.857 15.206 -6.844 1.00 0.00 C ATOM 215 CG LYS A 14 115.200 15.777 -7.321 1.00 0.00 C ATOM 216 CD LYS A 14 114.984 17.161 -7.948 1.00 0.00 C ATOM 217 CE LYS A 14 116.331 17.725 -8.417 1.00 0.00 C ATOM 218 NZ LYS A 14 116.005 19.037 -9.041 1.00 0.00 N1+ ATOM 0 H LYS A 14 111.937 13.976 -6.098 1.00 0.00 H new ATOM 0 HA LYS A 14 114.558 13.136 -6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 14 113.152 15.170 -7.675 1.00 0.00 H new ATOM 0 HB3 LYS A 14 113.423 15.858 -6.086 1.00 0.00 H new ATOM 0 HG2 LYS A 14 115.892 15.852 -6.482 1.00 0.00 H new ATOM 0 HG3 LYS A 14 115.653 15.105 -8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 14 114.295 17.087 -8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 14 114.529 17.834 -7.222 1.00 0.00 H new ATOM 0 HE2 LYS A 14 117.020 17.846 -7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 14 116.811 17.057 -9.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 116.878 19.484 -9.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 115.353 18.890 -9.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 115.556 19.655 -8.335 1.00 0.00 H new ATOM 232 N ALA A 15 114.449 14.378 -3.934 1.00 0.00 N ATOM 233 CA ALA A 15 115.280 14.472 -2.694 1.00 0.00 C ATOM 234 C ALA A 15 115.631 13.083 -2.140 1.00 0.00 C ATOM 235 O ALA A 15 116.767 12.822 -1.793 1.00 0.00 O ATOM 236 CB ALA A 15 114.421 15.245 -1.696 1.00 0.00 C ATOM 0 H ALA A 15 113.502 14.749 -3.852 1.00 0.00 H new ATOM 0 HA ALA A 15 116.232 14.965 -2.892 1.00 0.00 H new ATOM 0 HB1 ALA A 15 114.964 15.355 -0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.191 16.231 -2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 15 113.493 14.701 -1.517 1.00 0.00 H new ATOM 242 N ILE A 16 114.678 12.191 -2.033 1.00 0.00 N ATOM 243 CA ILE A 16 114.996 10.843 -1.477 1.00 0.00 C ATOM 244 C ILE A 16 115.983 10.115 -2.399 1.00 0.00 C ATOM 245 O ILE A 16 116.845 9.385 -1.954 1.00 0.00 O ATOM 246 CB ILE A 16 113.654 10.104 -1.370 1.00 0.00 C ATOM 247 CG1 ILE A 16 113.859 8.817 -0.570 1.00 0.00 C ATOM 248 CG2 ILE A 16 113.113 9.758 -2.761 1.00 0.00 C ATOM 249 CD1 ILE A 16 112.502 8.253 -0.151 1.00 0.00 C ATOM 0 H ILE A 16 113.705 12.336 -2.303 1.00 0.00 H new ATOM 0 HA ILE A 16 115.476 10.900 -0.500 1.00 0.00 H new ATOM 0 HB ILE A 16 112.933 10.750 -0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 16 114.399 8.085 -1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 16 114.469 9.018 0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 16 112.162 9.235 -2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 16 112.965 10.674 -3.332 1.00 0.00 H new ATOM 0 HG23 ILE A 16 113.826 9.118 -3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 16 112.650 7.336 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 16 111.979 8.984 0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 16 111.908 8.037 -1.039 1.00 0.00 H new ATOM 261 N VAL A 17 115.883 10.339 -3.677 1.00 0.00 N ATOM 262 CA VAL A 17 116.841 9.697 -4.615 1.00 0.00 C ATOM 263 C VAL A 17 118.234 10.250 -4.322 1.00 0.00 C ATOM 264 O VAL A 17 119.215 9.530 -4.320 1.00 0.00 O ATOM 265 CB VAL A 17 116.359 10.092 -6.015 1.00 0.00 C ATOM 266 CG1 VAL A 17 117.405 9.712 -7.075 1.00 0.00 C ATOM 267 CG2 VAL A 17 115.055 9.349 -6.308 1.00 0.00 C ATOM 0 H VAL A 17 115.181 10.938 -4.112 1.00 0.00 H new ATOM 0 HA VAL A 17 116.889 8.612 -4.521 1.00 0.00 H new ATOM 0 HB VAL A 17 116.204 11.170 -6.050 1.00 0.00 H new ATOM 0 HG11 VAL A 17 117.044 10.001 -8.062 1.00 0.00 H new ATOM 0 HG12 VAL A 17 118.341 10.230 -6.865 1.00 0.00 H new ATOM 0 HG13 VAL A 17 117.573 8.635 -7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 17 114.698 9.619 -7.302 1.00 0.00 H new ATOM 0 HG22 VAL A 17 115.231 8.274 -6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 17 114.305 9.623 -5.566 1.00 0.00 H new ATOM 277 N ASP A 18 118.324 11.522 -4.072 1.00 0.00 N ATOM 278 CA ASP A 18 119.653 12.115 -3.780 1.00 0.00 C ATOM 279 C ASP A 18 120.214 11.483 -2.505 1.00 0.00 C ATOM 280 O ASP A 18 121.403 11.267 -2.374 1.00 0.00 O ATOM 281 CB ASP A 18 119.413 13.614 -3.604 1.00 0.00 C ATOM 282 CG ASP A 18 120.742 14.376 -3.702 1.00 0.00 C ATOM 283 OD1 ASP A 18 121.779 13.733 -3.762 1.00 0.00 O1- ATOM 284 OD2 ASP A 18 120.698 15.596 -3.722 1.00 0.00 O ATOM 0 H ASP A 18 117.540 12.174 -4.057 1.00 0.00 H new ATOM 0 HA ASP A 18 120.378 11.937 -4.575 1.00 0.00 H new ATOM 0 HB2 ASP A 18 118.723 13.972 -4.368 1.00 0.00 H new ATOM 0 HB3 ASP A 18 118.946 13.804 -2.638 1.00 0.00 H new ATOM 289 N ALA A 19 119.359 11.176 -1.566 1.00 0.00 N ATOM 290 CA ALA A 19 119.833 10.548 -0.302 1.00 0.00 C ATOM 291 C ALA A 19 120.487 9.199 -0.610 1.00 0.00 C ATOM 292 O ALA A 19 121.509 8.850 -0.051 1.00 0.00 O ATOM 293 CB ALA A 19 118.572 10.345 0.543 1.00 0.00 C ATOM 0 H ALA A 19 118.353 11.334 -1.621 1.00 0.00 H new ATOM 0 HA ALA A 19 120.572 11.161 0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 19 118.841 9.885 1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 19 118.099 11.309 0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 19 117.877 9.696 0.010 1.00 0.00 H new ATOM 299 N ILE A 20 119.901 8.436 -1.493 1.00 0.00 N ATOM 300 CA ILE A 20 120.484 7.108 -1.835 1.00 0.00 C ATOM 301 C ILE A 20 121.860 7.305 -2.486 1.00 0.00 C ATOM 302 O ILE A 20 122.809 6.607 -2.188 1.00 0.00 O ATOM 303 CB ILE A 20 119.504 6.484 -2.831 1.00 0.00 C ATOM 304 CG1 ILE A 20 118.158 6.236 -2.142 1.00 0.00 C ATOM 305 CG2 ILE A 20 120.068 5.146 -3.311 1.00 0.00 C ATOM 306 CD1 ILE A 20 117.106 5.860 -3.189 1.00 0.00 C ATOM 0 H ILE A 20 119.044 8.675 -1.992 1.00 0.00 H new ATOM 0 HA ILE A 20 120.624 6.474 -0.959 1.00 0.00 H new ATOM 0 HB ILE A 20 119.364 7.159 -3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 20 118.256 5.437 -1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 20 117.845 7.129 -1.602 1.00 0.00 H new ATOM 0 HG21 ILE A 20 119.376 4.693 -4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 20 121.031 5.310 -3.796 1.00 0.00 H new ATOM 0 HG23 ILE A 20 120.200 4.480 -2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 20 116.150 5.684 -2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 20 117.000 6.673 -3.907 1.00 0.00 H new ATOM 0 HD13 ILE A 20 117.418 4.955 -3.710 1.00 0.00 H new ATOM 318 N ARG A 21 121.966 8.259 -3.378 1.00 0.00 N ATOM 319 CA ARG A 21 123.268 8.521 -4.066 1.00 0.00 C ATOM 320 C ARG A 21 124.353 8.845 -3.037 1.00 0.00 C ATOM 321 O ARG A 21 125.469 8.372 -3.120 1.00 0.00 O ATOM 322 CB ARG A 21 123.008 9.758 -4.932 1.00 0.00 C ATOM 323 CG ARG A 21 122.095 9.403 -6.108 1.00 0.00 C ATOM 324 CD ARG A 21 121.811 10.661 -6.932 1.00 0.00 C ATOM 325 NE ARG A 21 120.919 10.207 -8.035 1.00 0.00 N ATOM 326 CZ ARG A 21 121.429 9.843 -9.181 1.00 0.00 C ATOM 327 NH1 ARG A 21 121.809 10.747 -10.039 1.00 0.00 N ATOM 328 NH2 ARG A 21 121.569 8.581 -9.468 1.00 0.00 N1+ ATOM 0 H ARG A 21 121.201 8.872 -3.661 1.00 0.00 H new ATOM 0 HA ARG A 21 123.605 7.661 -4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 21 122.548 10.541 -4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 21 123.953 10.155 -5.304 1.00 0.00 H new ATOM 0 HG2 ARG A 21 122.567 8.645 -6.733 1.00 0.00 H new ATOM 0 HG3 ARG A 21 121.161 8.977 -5.741 1.00 0.00 H new ATOM 0 HD2 ARG A 21 121.330 11.429 -6.326 1.00 0.00 H new ATOM 0 HD3 ARG A 21 122.732 11.093 -7.322 1.00 0.00 H new ATOM 0 HE ARG A 21 119.909 10.180 -7.895 1.00 0.00 H new ATOM 0 HH11 ARG A 21 121.708 11.737 -9.815 1.00 0.00 H new ATOM 0 HH12 ARG A 21 122.208 10.465 -10.934 1.00 0.00 H new ATOM 0 HH21 ARG A 21 121.280 7.870 -8.796 1.00 0.00 H new ATOM 0 HH22 ARG A 21 121.968 8.303 -10.365 1.00 0.00 H new ATOM 342 N ASP A 22 124.035 9.670 -2.079 1.00 0.00 N ATOM 343 CA ASP A 22 125.040 10.046 -1.045 1.00 0.00 C ATOM 344 C ASP A 22 125.467 8.819 -0.230 1.00 0.00 C ATOM 345 O ASP A 22 126.617 8.679 0.139 1.00 0.00 O ATOM 346 CB ASP A 22 124.320 11.072 -0.164 1.00 0.00 C ATOM 347 CG ASP A 22 124.451 12.462 -0.792 1.00 0.00 C ATOM 348 OD1 ASP A 22 125.357 12.649 -1.587 1.00 0.00 O1- ATOM 349 OD2 ASP A 22 123.641 13.315 -0.468 1.00 0.00 O ATOM 0 H ASP A 22 123.118 10.102 -1.967 1.00 0.00 H new ATOM 0 HA ASP A 22 125.954 10.450 -1.480 1.00 0.00 H new ATOM 0 HB2 ASP A 22 123.268 10.805 -0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 22 124.749 11.072 0.838 1.00 0.00 H new ATOM 354 N ALA A 23 124.553 7.930 0.058 1.00 0.00 N ATOM 355 CA ALA A 23 124.922 6.719 0.855 1.00 0.00 C ATOM 356 C ALA A 23 125.915 5.854 0.073 1.00 0.00 C ATOM 357 O ALA A 23 126.854 5.311 0.626 1.00 0.00 O ATOM 358 CB ALA A 23 123.611 5.971 1.079 1.00 0.00 C ATOM 0 H ALA A 23 123.574 7.987 -0.221 1.00 0.00 H new ATOM 0 HA ALA A 23 125.403 6.977 1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 23 123.802 5.068 1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 23 122.915 6.611 1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.178 5.699 0.116 1.00 0.00 H new ATOM 364 N GLU A 24 125.711 5.710 -1.208 1.00 0.00 N ATOM 365 CA GLU A 24 126.640 4.877 -2.026 1.00 0.00 C ATOM 366 C GLU A 24 128.062 5.449 -1.981 1.00 0.00 C ATOM 367 O GLU A 24 129.024 4.769 -2.276 1.00 0.00 O ATOM 368 CB GLU A 24 126.062 4.923 -3.430 1.00 0.00 C ATOM 369 CG GLU A 24 126.930 4.091 -4.358 1.00 0.00 C ATOM 370 CD GLU A 24 126.757 2.597 -4.038 1.00 0.00 C ATOM 371 OE1 GLU A 24 125.850 2.265 -3.290 1.00 0.00 O1- ATOM 372 OE2 GLU A 24 127.530 1.810 -4.557 1.00 0.00 O ATOM 0 H GLU A 24 124.940 6.134 -1.725 1.00 0.00 H new ATOM 0 HA GLU A 24 126.721 3.854 -1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 24 125.041 4.541 -3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 24 126.016 5.953 -3.783 1.00 0.00 H new ATOM 0 HG2 GLU A 24 126.657 4.284 -5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 24 127.976 4.377 -4.246 1.00 0.00 H new ATOM 379 N LYS A 25 128.208 6.677 -1.563 1.00 0.00 N ATOM 380 CA LYS A 25 129.570 7.255 -1.442 1.00 0.00 C ATOM 381 C LYS A 25 130.087 7.043 0.000 1.00 0.00 C ATOM 382 O LYS A 25 131.207 7.386 0.319 1.00 0.00 O ATOM 383 CB LYS A 25 129.384 8.722 -1.788 1.00 0.00 C ATOM 384 CG LYS A 25 128.970 8.823 -3.255 1.00 0.00 C ATOM 385 CD LYS A 25 128.683 10.279 -3.599 1.00 0.00 C ATOM 386 CE LYS A 25 128.288 10.391 -5.072 1.00 0.00 C ATOM 387 NZ LYS A 25 128.019 11.838 -5.282 1.00 0.00 N1+ ATOM 0 H LYS A 25 127.444 7.300 -1.302 1.00 0.00 H new ATOM 0 HA LYS A 25 130.310 6.794 -2.096 1.00 0.00 H new ATOM 0 HB2 LYS A 25 128.624 9.169 -1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 25 130.309 9.272 -1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 25 129.762 8.436 -3.896 1.00 0.00 H new ATOM 0 HG3 LYS A 25 128.085 8.213 -3.438 1.00 0.00 H new ATOM 0 HD2 LYS A 25 127.881 10.661 -2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 25 129.564 10.890 -3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 25 129.087 10.038 -5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 25 127.407 9.788 -5.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 127.741 11.999 -6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 127.250 12.143 -4.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 128.878 12.385 -5.070 1.00 0.00 H new ATOM 401 N ASN A 26 129.286 6.443 0.868 1.00 0.00 N ATOM 402 CA ASN A 26 129.730 6.168 2.257 1.00 0.00 C ATOM 403 C ASN A 26 129.904 4.646 2.452 1.00 0.00 C ATOM 404 O ASN A 26 130.486 4.202 3.420 1.00 0.00 O ATOM 405 CB ASN A 26 128.584 6.667 3.132 1.00 0.00 C ATOM 406 CG ASN A 26 128.460 8.186 3.014 1.00 0.00 C ATOM 407 OD1 ASN A 26 129.382 8.855 2.588 1.00 0.00 O ATOM 408 ND2 ASN A 26 127.347 8.763 3.378 1.00 0.00 N ATOM 0 H ASN A 26 128.337 6.135 0.655 1.00 0.00 H new ATOM 0 HA ASN A 26 130.679 6.647 2.496 1.00 0.00 H new ATOM 0 HB2 ASN A 26 127.651 6.193 2.828 1.00 0.00 H new ATOM 0 HB3 ASN A 26 128.760 6.388 4.171 1.00 0.00 H new ATOM 0 HD21 ASN A 26 127.250 9.776 3.305 1.00 0.00 H new ATOM 0 HD22 ASN A 26 126.574 8.201 3.735 1.00 0.00 H new ATOM 415 N THR A 27 129.396 3.840 1.534 1.00 0.00 N ATOM 416 CA THR A 27 129.540 2.357 1.666 1.00 0.00 C ATOM 417 C THR A 27 129.553 1.696 0.278 1.00 0.00 C ATOM 418 O THR A 27 129.056 2.249 -0.684 1.00 0.00 O ATOM 419 CB THR A 27 128.301 1.894 2.446 1.00 0.00 C ATOM 420 OG1 THR A 27 128.267 0.462 2.507 1.00 0.00 O ATOM 421 CG2 THR A 27 127.035 2.396 1.741 1.00 0.00 C ATOM 0 H THR A 27 128.891 4.152 0.705 1.00 0.00 H new ATOM 0 HA THR A 27 130.469 2.087 2.168 1.00 0.00 H new ATOM 0 HB THR A 27 128.347 2.298 3.457 1.00 0.00 H new ATOM 0 HG1 THR A 27 127.475 0.175 3.007 1.00 0.00 H new ATOM 0 HG21 THR A 27 126.156 2.067 2.295 1.00 0.00 H new ATOM 0 HG22 THR A 27 127.050 3.485 1.698 1.00 0.00 H new ATOM 0 HG23 THR A 27 126.998 1.993 0.729 1.00 0.00 H new ATOM 429 N SER A 28 130.085 0.504 0.176 1.00 0.00 N ATOM 430 CA SER A 28 130.083 -0.206 -1.134 1.00 0.00 C ATOM 431 C SER A 28 128.800 -1.043 -1.285 1.00 0.00 C ATOM 432 O SER A 28 128.500 -1.542 -2.352 1.00 0.00 O ATOM 433 CB SER A 28 131.311 -1.115 -1.104 1.00 0.00 C ATOM 434 OG SER A 28 131.159 -2.074 -0.066 1.00 0.00 O ATOM 0 H SER A 28 130.520 -0.006 0.945 1.00 0.00 H new ATOM 0 HA SER A 28 130.113 0.488 -1.974 1.00 0.00 H new ATOM 0 HB2 SER A 28 131.430 -1.617 -2.064 1.00 0.00 H new ATOM 0 HB3 SER A 28 132.212 -0.524 -0.940 1.00 0.00 H new ATOM 0 HG SER A 28 131.944 -2.660 -0.045 1.00 0.00 H new ATOM 440 N GLY A 29 128.027 -1.190 -0.231 1.00 0.00 N ATOM 441 CA GLY A 29 126.771 -1.977 -0.330 1.00 0.00 C ATOM 442 C GLY A 29 125.769 -1.197 -1.171 1.00 0.00 C ATOM 443 O GLY A 29 126.017 -0.070 -1.556 1.00 0.00 O ATOM 0 H GLY A 29 128.219 -0.796 0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 29 126.969 -2.948 -0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 29 126.364 -2.166 0.664 1.00 0.00 H new ATOM 447 N GLU A 30 124.645 -1.779 -1.469 1.00 0.00 N ATOM 448 CA GLU A 30 123.642 -1.049 -2.300 1.00 0.00 C ATOM 449 C GLU A 30 122.249 -1.117 -1.664 1.00 0.00 C ATOM 450 O GLU A 30 121.811 -2.145 -1.191 1.00 0.00 O ATOM 451 CB GLU A 30 123.659 -1.740 -3.668 1.00 0.00 C ATOM 452 CG GLU A 30 125.010 -1.504 -4.356 1.00 0.00 C ATOM 453 CD GLU A 30 126.010 -2.596 -3.953 1.00 0.00 C ATOM 454 OE1 GLU A 30 125.670 -3.408 -3.108 1.00 0.00 O ATOM 455 OE2 GLU A 30 127.103 -2.598 -4.501 1.00 0.00 O1- ATOM 0 H GLU A 30 124.375 -2.719 -1.179 1.00 0.00 H new ATOM 0 HA GLU A 30 123.885 0.010 -2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 30 123.485 -2.809 -3.547 1.00 0.00 H new ATOM 0 HB3 GLU A 30 122.852 -1.354 -4.290 1.00 0.00 H new ATOM 0 HG2 GLU A 30 124.879 -1.502 -5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 30 125.400 -0.524 -4.080 1.00 0.00 H new ATOM 462 N ILE A 31 121.559 -0.005 -1.650 1.00 0.00 N ATOM 463 CA ILE A 31 120.194 0.053 -1.049 1.00 0.00 C ATOM 464 C ILE A 31 119.168 0.494 -2.100 1.00 0.00 C ATOM 465 O ILE A 31 119.386 1.437 -2.837 1.00 0.00 O ATOM 466 CB ILE A 31 120.322 1.082 0.076 1.00 0.00 C ATOM 467 CG1 ILE A 31 121.260 0.519 1.150 1.00 0.00 C ATOM 468 CG2 ILE A 31 118.948 1.362 0.688 1.00 0.00 C ATOM 469 CD1 ILE A 31 121.662 1.631 2.119 1.00 0.00 C ATOM 0 H ILE A 31 121.890 0.879 -2.036 1.00 0.00 H new ATOM 0 HA ILE A 31 119.849 -0.913 -0.679 1.00 0.00 H new ATOM 0 HB ILE A 31 120.724 2.014 -0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 31 120.765 -0.287 1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 31 122.148 0.092 0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 31 119.049 2.096 1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 31 118.280 1.752 -0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 31 118.535 0.438 1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 31 122.329 1.227 2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 31 122.174 2.423 1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 31 120.770 2.038 2.596 1.00 0.00 H new ATOM 481 N ARG A 32 118.043 -0.172 -2.165 1.00 0.00 N ATOM 482 CA ARG A 32 116.998 0.214 -3.159 1.00 0.00 C ATOM 483 C ARG A 32 115.615 0.124 -2.508 1.00 0.00 C ATOM 484 O ARG A 32 115.430 -0.530 -1.500 1.00 0.00 O ATOM 485 CB ARG A 32 117.130 -0.789 -4.305 1.00 0.00 C ATOM 486 CG ARG A 32 116.182 -0.399 -5.444 1.00 0.00 C ATOM 487 CD ARG A 32 116.418 -1.324 -6.643 1.00 0.00 C ATOM 488 NE ARG A 32 115.596 -0.751 -7.746 1.00 0.00 N ATOM 489 CZ ARG A 32 115.605 -1.303 -8.934 1.00 0.00 C ATOM 490 NH1 ARG A 32 116.652 -1.189 -9.703 1.00 0.00 N ATOM 491 NH2 ARG A 32 114.568 -1.979 -9.356 1.00 0.00 N1+ ATOM 0 H ARG A 32 117.804 -0.967 -1.572 1.00 0.00 H new ATOM 0 HA ARG A 32 117.121 1.236 -3.517 1.00 0.00 H new ATOM 0 HB2 ARG A 32 118.158 -0.810 -4.666 1.00 0.00 H new ATOM 0 HB3 ARG A 32 116.895 -1.793 -3.951 1.00 0.00 H new ATOM 0 HG2 ARG A 32 115.147 -0.474 -5.112 1.00 0.00 H new ATOM 0 HG3 ARG A 32 116.350 0.639 -5.733 1.00 0.00 H new ATOM 0 HD2 ARG A 32 117.473 -1.356 -6.914 1.00 0.00 H new ATOM 0 HD3 ARG A 32 116.116 -2.347 -6.417 1.00 0.00 H new ATOM 0 HE ARG A 32 115.023 0.076 -7.575 1.00 0.00 H new ATOM 0 HH11 ARG A 32 117.468 -0.669 -9.380 1.00 0.00 H new ATOM 0 HH12 ARG A 32 116.655 -1.620 -10.627 1.00 0.00 H new ATOM 0 HH21 ARG A 32 113.747 -2.078 -8.759 1.00 0.00 H new ATOM 0 HH22 ARG A 32 114.580 -2.407 -10.282 1.00 0.00 H new ATOM 505 N VAL A 33 114.650 0.801 -3.065 1.00 0.00 N ATOM 506 CA VAL A 33 113.281 0.792 -2.469 1.00 0.00 C ATOM 507 C VAL A 33 112.226 0.452 -3.526 1.00 0.00 C ATOM 508 O VAL A 33 112.316 0.853 -4.670 1.00 0.00 O ATOM 509 CB VAL A 33 113.065 2.229 -1.957 1.00 0.00 C ATOM 510 CG1 VAL A 33 113.307 3.221 -3.098 1.00 0.00 C ATOM 511 CG2 VAL A 33 111.632 2.400 -1.441 1.00 0.00 C ATOM 0 H VAL A 33 114.749 1.363 -3.911 1.00 0.00 H new ATOM 0 HA VAL A 33 113.189 0.045 -1.680 1.00 0.00 H new ATOM 0 HB VAL A 33 113.765 2.419 -1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 33 113.154 4.237 -2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 33 114.329 3.115 -3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 33 112.610 3.017 -3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 33 111.494 3.420 -1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 33 110.928 2.201 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 33 111.454 1.701 -0.624 1.00 0.00 H new ATOM 521 N HIS A 34 111.216 -0.271 -3.134 1.00 0.00 N ATOM 522 CA HIS A 34 110.124 -0.629 -4.081 1.00 0.00 C ATOM 523 C HIS A 34 108.772 -0.247 -3.473 1.00 0.00 C ATOM 524 O HIS A 34 108.452 -0.604 -2.356 1.00 0.00 O ATOM 525 CB HIS A 34 110.230 -2.139 -4.276 1.00 0.00 C ATOM 526 CG HIS A 34 109.211 -2.587 -5.287 1.00 0.00 C ATOM 527 ND1 HIS A 34 109.530 -2.797 -6.619 1.00 0.00 N ATOM 528 CD2 HIS A 34 107.872 -2.866 -5.173 1.00 0.00 C ATOM 529 CE1 HIS A 34 108.406 -3.185 -7.248 1.00 0.00 C ATOM 530 NE2 HIS A 34 107.365 -3.243 -6.414 1.00 0.00 N ATOM 0 H HIS A 34 111.099 -0.633 -2.188 1.00 0.00 H new ATOM 0 HA HIS A 34 110.208 -0.104 -5.033 1.00 0.00 H new ATOM 0 HB2 HIS A 34 111.232 -2.403 -4.613 1.00 0.00 H new ATOM 0 HB3 HIS A 34 110.067 -2.651 -3.328 1.00 0.00 H new ATOM 0 HD2 HIS A 34 107.299 -2.803 -4.260 1.00 0.00 H new ATOM 0 HE1 HIS A 34 108.352 -3.421 -8.301 1.00 0.00 H new ATOM 0 HE2 HIS A 34 106.405 -3.507 -6.638 1.00 0.00 H new ATOM 538 N LEU A 35 107.993 0.501 -4.203 1.00 0.00 N ATOM 539 CA LEU A 35 106.665 0.953 -3.696 1.00 0.00 C ATOM 540 C LEU A 35 105.517 0.377 -4.537 1.00 0.00 C ATOM 541 O LEU A 35 105.494 0.476 -5.747 1.00 0.00 O ATOM 542 CB LEU A 35 106.703 2.473 -3.845 1.00 0.00 C ATOM 543 CG LEU A 35 105.376 3.074 -3.376 1.00 0.00 C ATOM 544 CD1 LEU A 35 105.504 3.531 -1.921 1.00 0.00 C ATOM 545 CD2 LEU A 35 105.022 4.261 -4.270 1.00 0.00 C ATOM 0 H LEU A 35 108.223 0.823 -5.143 1.00 0.00 H new ATOM 0 HA LEU A 35 106.491 0.624 -2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 35 107.526 2.884 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 35 106.886 2.741 -4.886 1.00 0.00 H new ATOM 0 HG LEU A 35 104.587 2.325 -3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 35 104.558 3.959 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.757 2.677 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.289 4.283 -1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.077 4.695 -3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 35 105.808 5.013 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.927 3.924 -5.302 1.00 0.00 H new ATOM 557 N GLU A 36 104.539 -0.177 -3.869 1.00 0.00 N ATOM 558 CA GLU A 36 103.334 -0.728 -4.560 1.00 0.00 C ATOM 559 C GLU A 36 102.116 -0.520 -3.646 1.00 0.00 C ATOM 560 O GLU A 36 102.253 -0.223 -2.475 1.00 0.00 O ATOM 561 CB GLU A 36 103.614 -2.210 -4.822 1.00 0.00 C ATOM 562 CG GLU A 36 102.415 -2.834 -5.540 1.00 0.00 C ATOM 563 CD GLU A 36 102.727 -4.288 -5.911 1.00 0.00 C ATOM 564 OE1 GLU A 36 103.889 -4.661 -5.857 1.00 0.00 O ATOM 565 OE2 GLU A 36 101.797 -5.004 -6.248 1.00 0.00 O1- ATOM 0 H GLU A 36 104.524 -0.273 -2.854 1.00 0.00 H new ATOM 0 HA GLU A 36 103.124 -0.232 -5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 36 104.513 -2.320 -5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 36 103.799 -2.729 -3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 36 101.535 -2.794 -4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 36 102.180 -2.263 -6.438 1.00 0.00 H new ATOM 572 N LYS A 37 100.925 -0.613 -4.185 1.00 0.00 N ATOM 573 CA LYS A 37 99.702 -0.358 -3.358 1.00 0.00 C ATOM 574 C LYS A 37 99.350 -1.535 -2.449 1.00 0.00 C ATOM 575 O LYS A 37 99.550 -1.487 -1.249 1.00 0.00 O ATOM 576 CB LYS A 37 98.580 -0.125 -4.369 1.00 0.00 C ATOM 577 CG LYS A 37 98.828 1.169 -5.132 1.00 0.00 C ATOM 578 CD LYS A 37 97.722 1.344 -6.169 1.00 0.00 C ATOM 579 CE LYS A 37 97.944 2.646 -6.928 1.00 0.00 C ATOM 580 NZ LYS A 37 96.830 2.703 -7.912 1.00 0.00 N1+ ATOM 0 H LYS A 37 100.746 -0.854 -5.160 1.00 0.00 H new ATOM 0 HA LYS A 37 99.862 0.490 -2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 37 98.526 -0.962 -5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 37 97.620 -0.076 -3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 37 98.840 2.016 -4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 37 99.802 1.140 -5.620 1.00 0.00 H new ATOM 0 HD2 LYS A 37 97.720 0.502 -6.861 1.00 0.00 H new ATOM 0 HD3 LYS A 37 96.748 1.356 -5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 37 97.924 3.504 -6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 37 98.913 2.654 -7.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 96.910 3.573 -8.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 96.879 1.876 -8.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 95.921 2.700 -7.407 1.00 0.00 H new ATOM 594 N THR A 38 98.819 -2.587 -3.009 1.00 0.00 N ATOM 595 CA THR A 38 98.448 -3.769 -2.178 1.00 0.00 C ATOM 596 C THR A 38 98.833 -5.054 -2.906 1.00 0.00 C ATOM 597 O THR A 38 98.948 -5.094 -4.115 1.00 0.00 O ATOM 598 CB THR A 38 96.925 -3.695 -1.997 1.00 0.00 C ATOM 599 OG1 THR A 38 96.462 -4.875 -1.343 1.00 0.00 O ATOM 600 CG2 THR A 38 96.247 -3.563 -3.367 1.00 0.00 C ATOM 0 H THR A 38 98.626 -2.680 -4.006 1.00 0.00 H new ATOM 0 HA THR A 38 98.963 -3.768 -1.217 1.00 0.00 H new ATOM 0 HB THR A 38 96.677 -2.825 -1.389 1.00 0.00 H new ATOM 0 HG1 THR A 38 95.490 -4.825 -1.227 1.00 0.00 H new ATOM 0 HG21 THR A 38 95.166 -3.511 -3.235 1.00 0.00 H new ATOM 0 HG22 THR A 38 96.596 -2.656 -3.860 1.00 0.00 H new ATOM 0 HG23 THR A 38 96.496 -4.429 -3.981 1.00 0.00 H new ATOM 608 N SER A 39 99.035 -6.104 -2.165 1.00 0.00 N ATOM 609 CA SER A 39 99.412 -7.397 -2.781 1.00 0.00 C ATOM 610 C SER A 39 98.234 -8.379 -2.744 1.00 0.00 C ATOM 611 O SER A 39 97.247 -8.152 -2.072 1.00 0.00 O ATOM 612 CB SER A 39 100.563 -7.915 -1.929 1.00 0.00 C ATOM 613 OG SER A 39 100.214 -7.821 -0.556 1.00 0.00 O ATOM 0 H SER A 39 98.953 -6.119 -1.148 1.00 0.00 H new ATOM 0 HA SER A 39 99.691 -7.285 -3.829 1.00 0.00 H new ATOM 0 HB2 SER A 39 100.785 -8.950 -2.189 1.00 0.00 H new ATOM 0 HB3 SER A 39 101.465 -7.336 -2.127 1.00 0.00 H new ATOM 0 HG SER A 39 100.781 -8.425 -0.032 1.00 0.00 H new ATOM 619 N GLU A 40 98.334 -9.473 -3.451 1.00 0.00 N ATOM 620 CA GLU A 40 97.224 -10.480 -3.450 1.00 0.00 C ATOM 621 C GLU A 40 97.617 -11.723 -2.642 1.00 0.00 C ATOM 622 O GLU A 40 96.774 -12.465 -2.181 1.00 0.00 O ATOM 623 CB GLU A 40 97.024 -10.866 -4.914 1.00 0.00 C ATOM 624 CG GLU A 40 95.830 -11.819 -5.019 1.00 0.00 C ATOM 625 CD GLU A 40 95.611 -12.220 -6.480 1.00 0.00 C ATOM 626 OE1 GLU A 40 96.509 -12.003 -7.277 1.00 0.00 O1- ATOM 627 OE2 GLU A 40 94.551 -12.746 -6.775 1.00 0.00 O ATOM 0 H GLU A 40 99.137 -9.716 -4.031 1.00 0.00 H new ATOM 0 HA GLU A 40 96.320 -10.071 -2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 40 96.849 -9.975 -5.518 1.00 0.00 H new ATOM 0 HB3 GLU A 40 97.923 -11.344 -5.304 1.00 0.00 H new ATOM 0 HG2 GLU A 40 96.007 -12.707 -4.412 1.00 0.00 H new ATOM 0 HG3 GLU A 40 94.934 -11.338 -4.626 1.00 0.00 H new ATOM 634 N ILE A 41 98.885 -11.960 -2.485 1.00 0.00 N ATOM 635 CA ILE A 41 99.340 -13.164 -1.724 1.00 0.00 C ATOM 636 C ILE A 41 100.059 -12.727 -0.424 1.00 0.00 C ATOM 637 O ILE A 41 99.481 -12.025 0.383 1.00 0.00 O ATOM 638 CB ILE A 41 100.271 -13.911 -2.690 1.00 0.00 C ATOM 639 CG1 ILE A 41 101.371 -12.961 -3.175 1.00 0.00 C ATOM 640 CG2 ILE A 41 99.475 -14.427 -3.892 1.00 0.00 C ATOM 641 CD1 ILE A 41 102.540 -13.769 -3.737 1.00 0.00 C ATOM 0 H ILE A 41 99.634 -11.372 -2.851 1.00 0.00 H new ATOM 0 HA ILE A 41 98.520 -13.807 -1.405 1.00 0.00 H new ATOM 0 HB ILE A 41 100.720 -14.757 -2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 41 100.976 -12.294 -3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 41 101.713 -12.334 -2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.144 -14.955 -4.572 1.00 0.00 H new ATOM 0 HG22 ILE A 41 98.696 -15.107 -3.548 1.00 0.00 H new ATOM 0 HG23 ILE A 41 99.018 -13.586 -4.414 1.00 0.00 H new ATOM 0 HD11 ILE A 41 103.320 -13.090 -4.081 1.00 0.00 H new ATOM 0 HD12 ILE A 41 102.941 -14.418 -2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 41 102.194 -14.377 -4.573 1.00 0.00 H new ATOM 653 N ASP A 42 101.307 -13.100 -0.203 1.00 0.00 N ATOM 654 CA ASP A 42 101.996 -12.653 1.040 1.00 0.00 C ATOM 655 C ASP A 42 103.093 -11.651 0.671 1.00 0.00 C ATOM 656 O ASP A 42 103.812 -11.828 -0.292 1.00 0.00 O ATOM 657 CB ASP A 42 102.598 -13.911 1.670 1.00 0.00 C ATOM 658 CG ASP A 42 101.490 -14.830 2.193 1.00 0.00 C ATOM 659 OD1 ASP A 42 100.353 -14.394 2.238 1.00 0.00 O ATOM 660 OD2 ASP A 42 101.803 -15.958 2.541 1.00 0.00 O1- ATOM 0 H ASP A 42 101.863 -13.686 -0.826 1.00 0.00 H new ATOM 0 HA ASP A 42 101.316 -12.162 1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 42 103.201 -14.441 0.933 1.00 0.00 H new ATOM 0 HB3 ASP A 42 103.264 -13.633 2.487 1.00 0.00 H new ATOM 665 N VAL A 43 103.216 -10.593 1.422 1.00 0.00 N ATOM 666 CA VAL A 43 104.251 -9.566 1.111 1.00 0.00 C ATOM 667 C VAL A 43 105.664 -10.152 1.230 1.00 0.00 C ATOM 668 O VAL A 43 106.505 -9.916 0.394 1.00 0.00 O ATOM 669 CB VAL A 43 104.036 -8.450 2.138 1.00 0.00 C ATOM 670 CG1 VAL A 43 105.131 -7.388 1.994 1.00 0.00 C ATOM 671 CG2 VAL A 43 102.671 -7.800 1.902 1.00 0.00 C ATOM 0 H VAL A 43 102.642 -10.394 2.241 1.00 0.00 H new ATOM 0 HA VAL A 43 104.159 -9.200 0.088 1.00 0.00 H new ATOM 0 HB VAL A 43 104.076 -8.875 3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 43 104.971 -6.598 2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 43 106.106 -7.846 2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 43 105.096 -6.963 0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 43 102.515 -7.005 2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 43 102.636 -7.381 0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 43 101.887 -8.550 2.010 1.00 0.00 H new ATOM 681 N PHE A 44 105.939 -10.908 2.260 1.00 0.00 N ATOM 682 CA PHE A 44 107.308 -11.486 2.401 1.00 0.00 C ATOM 683 C PHE A 44 107.646 -12.361 1.187 1.00 0.00 C ATOM 684 O PHE A 44 108.707 -12.228 0.606 1.00 0.00 O ATOM 685 CB PHE A 44 107.277 -12.331 3.677 1.00 0.00 C ATOM 686 CG PHE A 44 108.638 -12.956 3.880 1.00 0.00 C ATOM 687 CD1 PHE A 44 109.765 -12.139 4.037 1.00 0.00 C ATOM 688 CD2 PHE A 44 108.778 -14.349 3.896 1.00 0.00 C ATOM 689 CE1 PHE A 44 111.030 -12.713 4.205 1.00 0.00 C ATOM 690 CE2 PHE A 44 110.044 -14.925 4.068 1.00 0.00 C ATOM 691 CZ PHE A 44 111.170 -14.106 4.222 1.00 0.00 C ATOM 0 H PHE A 44 105.283 -11.149 3.003 1.00 0.00 H new ATOM 0 HA PHE A 44 108.068 -10.707 2.456 1.00 0.00 H new ATOM 0 HB2 PHE A 44 107.015 -11.711 4.534 1.00 0.00 H new ATOM 0 HB3 PHE A 44 106.514 -13.105 3.599 1.00 0.00 H new ATOM 0 HD1 PHE A 44 109.657 -11.064 4.028 1.00 0.00 H new ATOM 0 HD2 PHE A 44 107.910 -14.980 3.776 1.00 0.00 H new ATOM 0 HE1 PHE A 44 111.898 -12.082 4.322 1.00 0.00 H new ATOM 0 HE2 PHE A 44 110.151 -16.000 4.082 1.00 0.00 H new ATOM 0 HZ PHE A 44 112.146 -14.549 4.354 1.00 0.00 H new ATOM 701 N ASP A 45 106.750 -13.214 0.759 1.00 0.00 N ATOM 702 CA ASP A 45 107.051 -14.044 -0.446 1.00 0.00 C ATOM 703 C ASP A 45 107.003 -13.126 -1.667 1.00 0.00 C ATOM 704 O ASP A 45 107.810 -13.234 -2.570 1.00 0.00 O ATOM 705 CB ASP A 45 105.943 -15.097 -0.516 1.00 0.00 C ATOM 706 CG ASP A 45 106.316 -16.293 0.371 1.00 0.00 C ATOM 707 OD1 ASP A 45 107.472 -16.388 0.758 1.00 0.00 O ATOM 708 OD2 ASP A 45 105.438 -17.092 0.652 1.00 0.00 O1- ATOM 0 H ASP A 45 105.836 -13.370 1.184 1.00 0.00 H new ATOM 0 HA ASP A 45 108.030 -14.523 -0.407 1.00 0.00 H new ATOM 0 HB2 ASP A 45 104.997 -14.667 -0.186 1.00 0.00 H new ATOM 0 HB3 ASP A 45 105.803 -15.424 -1.546 1.00 0.00 H new ATOM 713 N ARG A 46 106.077 -12.216 -1.695 1.00 0.00 N ATOM 714 CA ARG A 46 105.988 -11.280 -2.846 1.00 0.00 C ATOM 715 C ARG A 46 107.264 -10.442 -2.969 1.00 0.00 C ATOM 716 O ARG A 46 107.793 -10.270 -4.050 1.00 0.00 O ATOM 717 CB ARG A 46 104.795 -10.384 -2.530 1.00 0.00 C ATOM 718 CG ARG A 46 104.641 -9.348 -3.642 1.00 0.00 C ATOM 719 CD ARG A 46 103.310 -8.622 -3.479 1.00 0.00 C ATOM 720 NE ARG A 46 102.293 -9.688 -3.702 1.00 0.00 N ATOM 721 CZ ARG A 46 101.858 -9.947 -4.908 1.00 0.00 C ATOM 722 NH1 ARG A 46 101.060 -9.115 -5.517 1.00 0.00 N ATOM 723 NH2 ARG A 46 102.221 -11.048 -5.503 1.00 0.00 N1+ ATOM 0 H ARG A 46 105.375 -12.078 -0.968 1.00 0.00 H new ATOM 0 HA ARG A 46 105.872 -11.810 -3.792 1.00 0.00 H new ATOM 0 HB2 ARG A 46 103.888 -10.982 -2.445 1.00 0.00 H new ATOM 0 HB3 ARG A 46 104.941 -9.887 -1.571 1.00 0.00 H new ATOM 0 HG2 ARG A 46 105.464 -8.634 -3.605 1.00 0.00 H new ATOM 0 HG3 ARG A 46 104.685 -9.835 -4.616 1.00 0.00 H new ATOM 0 HD2 ARG A 46 103.215 -8.180 -2.487 1.00 0.00 H new ATOM 0 HD3 ARG A 46 103.205 -7.812 -4.201 1.00 0.00 H new ATOM 0 HE ARG A 46 101.934 -10.219 -2.909 1.00 0.00 H new ATOM 0 HH11 ARG A 46 100.770 -8.254 -5.053 1.00 0.00 H new ATOM 0 HH12 ARG A 46 100.726 -9.325 -6.457 1.00 0.00 H new ATOM 0 HH21 ARG A 46 102.842 -11.703 -5.028 1.00 0.00 H new ATOM 0 HH22 ARG A 46 101.884 -11.254 -6.443 1.00 0.00 H new ATOM 737 N ALA A 47 107.771 -9.926 -1.885 1.00 0.00 N ATOM 738 CA ALA A 47 109.013 -9.112 -1.970 1.00 0.00 C ATOM 739 C ALA A 47 110.164 -9.991 -2.441 1.00 0.00 C ATOM 740 O ALA A 47 110.999 -9.575 -3.218 1.00 0.00 O ATOM 741 CB ALA A 47 109.258 -8.590 -0.553 1.00 0.00 C ATOM 0 H ALA A 47 107.381 -10.032 -0.949 1.00 0.00 H new ATOM 0 HA ALA A 47 108.928 -8.288 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 47 110.161 -7.980 -0.541 1.00 0.00 H new ATOM 0 HB2 ALA A 47 108.408 -7.986 -0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 47 109.380 -9.432 0.129 1.00 0.00 H new ATOM 747 N MET A 48 110.204 -11.211 -1.995 1.00 0.00 N ATOM 748 CA MET A 48 111.289 -12.126 -2.439 1.00 0.00 C ATOM 749 C MET A 48 111.189 -12.375 -3.950 1.00 0.00 C ATOM 750 O MET A 48 112.183 -12.366 -4.648 1.00 0.00 O ATOM 751 CB MET A 48 111.051 -13.423 -1.666 1.00 0.00 C ATOM 752 CG MET A 48 112.151 -14.428 -2.010 1.00 0.00 C ATOM 753 SD MET A 48 111.872 -15.969 -1.097 1.00 0.00 S ATOM 754 CE MET A 48 110.771 -16.761 -2.297 1.00 0.00 C ATOM 0 H MET A 48 109.533 -11.616 -1.342 1.00 0.00 H new ATOM 0 HA MET A 48 112.280 -11.714 -2.251 1.00 0.00 H new ATOM 0 HB2 MET A 48 111.046 -13.225 -0.594 1.00 0.00 H new ATOM 0 HB3 MET A 48 110.074 -13.836 -1.918 1.00 0.00 H new ATOM 0 HG2 MET A 48 112.156 -14.624 -3.082 1.00 0.00 H new ATOM 0 HG3 MET A 48 113.127 -14.015 -1.757 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.473 -17.742 -1.926 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.885 -16.143 -2.441 1.00 0.00 H new ATOM 0 HE3 MET A 48 111.291 -16.876 -3.248 1.00 0.00 H new ATOM 764 N ASP A 49 110.009 -12.607 -4.462 1.00 0.00 N ATOM 765 CA ASP A 49 109.884 -12.862 -5.930 1.00 0.00 C ATOM 766 C ASP A 49 110.258 -11.603 -6.722 1.00 0.00 C ATOM 767 O ASP A 49 111.022 -11.658 -7.664 1.00 0.00 O ATOM 768 CB ASP A 49 108.423 -13.256 -6.166 1.00 0.00 C ATOM 769 CG ASP A 49 108.233 -14.756 -5.891 1.00 0.00 C ATOM 770 OD1 ASP A 49 109.218 -15.426 -5.619 1.00 0.00 O1- ATOM 771 OD2 ASP A 49 107.100 -15.206 -5.943 1.00 0.00 O ATOM 0 H ASP A 49 109.135 -12.631 -3.936 1.00 0.00 H new ATOM 0 HA ASP A 49 110.557 -13.651 -6.265 1.00 0.00 H new ATOM 0 HB2 ASP A 49 107.771 -12.673 -5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 49 108.137 -13.027 -7.193 1.00 0.00 H new ATOM 776 N VAL A 50 109.748 -10.468 -6.338 1.00 0.00 N ATOM 777 CA VAL A 50 110.105 -9.207 -7.059 1.00 0.00 C ATOM 778 C VAL A 50 111.594 -8.889 -6.847 1.00 0.00 C ATOM 779 O VAL A 50 112.289 -8.509 -7.768 1.00 0.00 O ATOM 780 CB VAL A 50 109.217 -8.110 -6.450 1.00 0.00 C ATOM 781 CG1 VAL A 50 109.642 -6.735 -6.986 1.00 0.00 C ATOM 782 CG2 VAL A 50 107.754 -8.363 -6.827 1.00 0.00 C ATOM 0 H VAL A 50 109.100 -10.354 -5.558 1.00 0.00 H new ATOM 0 HA VAL A 50 109.944 -9.289 -8.134 1.00 0.00 H new ATOM 0 HB VAL A 50 109.327 -8.128 -5.366 1.00 0.00 H new ATOM 0 HG11 VAL A 50 109.008 -5.963 -6.550 1.00 0.00 H new ATOM 0 HG12 VAL A 50 110.681 -6.545 -6.718 1.00 0.00 H new ATOM 0 HG13 VAL A 50 109.538 -6.720 -8.071 1.00 0.00 H new ATOM 0 HG21 VAL A 50 107.127 -7.584 -6.394 1.00 0.00 H new ATOM 0 HG22 VAL A 50 107.651 -8.351 -7.912 1.00 0.00 H new ATOM 0 HG23 VAL A 50 107.442 -9.335 -6.444 1.00 0.00 H new ATOM 792 N PHE A 51 112.083 -9.024 -5.649 1.00 0.00 N ATOM 793 CA PHE A 51 113.520 -8.708 -5.395 1.00 0.00 C ATOM 794 C PHE A 51 114.421 -9.579 -6.273 1.00 0.00 C ATOM 795 O PHE A 51 115.334 -9.096 -6.916 1.00 0.00 O ATOM 796 CB PHE A 51 113.732 -9.029 -3.914 1.00 0.00 C ATOM 797 CG PHE A 51 115.145 -8.686 -3.513 1.00 0.00 C ATOM 798 CD1 PHE A 51 115.658 -7.437 -3.828 1.00 0.00 C ATOM 799 CD2 PHE A 51 115.927 -9.606 -2.824 1.00 0.00 C ATOM 800 CE1 PHE A 51 116.956 -7.089 -3.458 1.00 0.00 C ATOM 801 CE2 PHE A 51 117.234 -9.268 -2.447 1.00 0.00 C ATOM 802 CZ PHE A 51 117.749 -8.006 -2.767 1.00 0.00 C ATOM 0 H PHE A 51 111.555 -9.338 -4.835 1.00 0.00 H new ATOM 0 HA PHE A 51 113.766 -7.672 -5.629 1.00 0.00 H new ATOM 0 HB2 PHE A 51 113.025 -8.465 -3.306 1.00 0.00 H new ATOM 0 HB3 PHE A 51 113.539 -10.086 -3.730 1.00 0.00 H new ATOM 0 HD1 PHE A 51 115.046 -6.727 -4.365 1.00 0.00 H new ATOM 0 HD2 PHE A 51 115.528 -10.579 -2.580 1.00 0.00 H new ATOM 0 HE1 PHE A 51 117.347 -6.113 -3.705 1.00 0.00 H new ATOM 0 HE2 PHE A 51 117.843 -9.980 -1.910 1.00 0.00 H new ATOM 0 HZ PHE A 51 118.756 -7.743 -2.480 1.00 0.00 H new ATOM 812 N HIS A 52 114.163 -10.852 -6.319 1.00 0.00 N ATOM 813 CA HIS A 52 114.991 -11.751 -7.171 1.00 0.00 C ATOM 814 C HIS A 52 114.609 -11.561 -8.647 1.00 0.00 C ATOM 815 O HIS A 52 115.450 -11.601 -9.522 1.00 0.00 O ATOM 816 CB HIS A 52 114.663 -13.161 -6.683 1.00 0.00 C ATOM 817 CG HIS A 52 115.273 -13.385 -5.322 1.00 0.00 C ATOM 818 ND1 HIS A 52 114.994 -12.845 -4.089 1.00 0.00 N flip ATOM 819 CD2 HIS A 52 116.311 -14.281 -5.115 1.00 0.00 C flip ATOM 820 CE1 HIS A 52 115.841 -13.397 -3.133 1.00 0.00 C flip ATOM 821 NE2 HIS A 52 116.613 -14.256 -3.803 1.00 0.00 N flip ATOM 0 H HIS A 52 113.413 -11.313 -5.803 1.00 0.00 H new ATOM 0 HA HIS A 52 116.059 -11.546 -7.098 1.00 0.00 H new ATOM 0 HB2 HIS A 52 113.583 -13.297 -6.634 1.00 0.00 H new ATOM 0 HB3 HIS A 52 115.045 -13.898 -7.389 1.00 0.00 H new ATOM 0 HD1 HIS A 52 114.275 -12.146 -3.903 1.00 0.00 H new ATOM 0 HD2 HIS A 52 116.790 -14.888 -5.869 1.00 0.00 H new ATOM 0 HE1 HIS A 52 115.868 -13.178 -2.076 1.00 0.00 H new ATOM 829 N ASN A 53 113.350 -11.355 -8.929 1.00 0.00 N ATOM 830 CA ASN A 53 112.922 -11.167 -10.351 1.00 0.00 C ATOM 831 C ASN A 53 113.617 -9.944 -10.954 1.00 0.00 C ATOM 832 O ASN A 53 114.028 -9.960 -12.096 1.00 0.00 O ATOM 833 CB ASN A 53 111.411 -10.939 -10.294 1.00 0.00 C ATOM 834 CG ASN A 53 110.879 -10.679 -11.708 1.00 0.00 C ATOM 835 OD1 ASN A 53 111.538 -10.979 -12.683 1.00 0.00 O ATOM 836 ND2 ASN A 53 109.704 -10.127 -11.859 1.00 0.00 N ATOM 0 H ASN A 53 112.599 -11.308 -8.240 1.00 0.00 H new ATOM 0 HA ASN A 53 113.181 -12.026 -10.970 1.00 0.00 H new ATOM 0 HB2 ASN A 53 110.917 -11.810 -9.863 1.00 0.00 H new ATOM 0 HB3 ASN A 53 111.185 -10.091 -9.647 1.00 0.00 H new ATOM 0 HD21 ASN A 53 109.341 -9.948 -12.795 1.00 0.00 H new ATOM 0 HD22 ASN A 53 109.150 -9.875 -11.041 1.00 0.00 H new ATOM 843 N LEU A 54 113.758 -8.885 -10.203 1.00 0.00 N ATOM 844 CA LEU A 54 114.437 -7.677 -10.760 1.00 0.00 C ATOM 845 C LEU A 54 115.968 -7.847 -10.720 1.00 0.00 C ATOM 846 O LEU A 54 116.706 -6.951 -11.076 1.00 0.00 O ATOM 847 CB LEU A 54 113.993 -6.520 -9.870 1.00 0.00 C ATOM 848 CG LEU A 54 112.470 -6.382 -9.948 1.00 0.00 C ATOM 849 CD1 LEU A 54 112.007 -5.292 -8.983 1.00 0.00 C ATOM 850 CD2 LEU A 54 112.058 -5.998 -11.374 1.00 0.00 C ATOM 0 H LEU A 54 113.437 -8.803 -9.238 1.00 0.00 H new ATOM 0 HA LEU A 54 114.174 -7.506 -11.804 1.00 0.00 H new ATOM 0 HB2 LEU A 54 114.302 -6.698 -8.840 1.00 0.00 H new ATOM 0 HB3 LEU A 54 114.471 -5.594 -10.191 1.00 0.00 H new ATOM 0 HG LEU A 54 112.010 -7.333 -9.679 1.00 0.00 H new ATOM 0 HD11 LEU A 54 110.923 -5.194 -9.038 1.00 0.00 H new ATOM 0 HD12 LEU A 54 112.296 -5.559 -7.966 1.00 0.00 H new ATOM 0 HD13 LEU A 54 112.472 -4.344 -9.255 1.00 0.00 H new ATOM 0 HD21 LEU A 54 110.974 -5.901 -11.426 1.00 0.00 H new ATOM 0 HD22 LEU A 54 112.521 -5.049 -11.643 1.00 0.00 H new ATOM 0 HD23 LEU A 54 112.386 -6.771 -12.068 1.00 0.00 H new ATOM 862 N LYS A 55 116.454 -9.003 -10.307 1.00 0.00 N ATOM 863 CA LYS A 55 117.927 -9.251 -10.262 1.00 0.00 C ATOM 864 C LYS A 55 118.642 -8.284 -9.316 1.00 0.00 C ATOM 865 O LYS A 55 119.814 -8.003 -9.475 1.00 0.00 O ATOM 866 CB LYS A 55 118.421 -9.087 -11.700 1.00 0.00 C ATOM 867 CG LYS A 55 119.441 -10.184 -12.013 1.00 0.00 C ATOM 868 CD LYS A 55 119.810 -10.135 -13.497 1.00 0.00 C ATOM 869 CE LYS A 55 120.849 -11.220 -13.795 1.00 0.00 C ATOM 870 NZ LYS A 55 121.141 -11.090 -15.250 1.00 0.00 N1+ ATOM 0 H LYS A 55 115.881 -9.788 -9.998 1.00 0.00 H new ATOM 0 HA LYS A 55 118.142 -10.247 -9.875 1.00 0.00 H new ATOM 0 HB2 LYS A 55 117.582 -9.146 -12.394 1.00 0.00 H new ATOM 0 HB3 LYS A 55 118.875 -8.105 -11.831 1.00 0.00 H new ATOM 0 HG2 LYS A 55 120.333 -10.050 -11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 55 119.027 -11.161 -11.763 1.00 0.00 H new ATOM 0 HD2 LYS A 55 118.922 -10.288 -14.110 1.00 0.00 H new ATOM 0 HD3 LYS A 55 120.209 -9.153 -13.752 1.00 0.00 H new ATOM 0 HE2 LYS A 55 121.750 -11.078 -13.198 1.00 0.00 H new ATOM 0 HE3 LYS A 55 120.463 -12.211 -13.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 121.846 -11.802 -15.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 120.267 -11.238 -15.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 121.514 -10.139 -15.446 1.00 0.00 H new ATOM 884 N MET A 56 117.967 -7.805 -8.309 1.00 0.00 N ATOM 885 CA MET A 56 118.642 -6.899 -7.338 1.00 0.00 C ATOM 886 C MET A 56 119.704 -7.700 -6.576 1.00 0.00 C ATOM 887 O MET A 56 120.663 -7.155 -6.068 1.00 0.00 O ATOM 888 CB MET A 56 117.545 -6.409 -6.394 1.00 0.00 C ATOM 889 CG MET A 56 116.687 -5.360 -7.112 1.00 0.00 C ATOM 890 SD MET A 56 115.373 -4.785 -6.006 1.00 0.00 S ATOM 891 CE MET A 56 114.310 -4.012 -7.252 1.00 0.00 C ATOM 0 H MET A 56 116.984 -7.999 -8.117 1.00 0.00 H new ATOM 0 HA MET A 56 119.139 -6.057 -7.819 1.00 0.00 H new ATOM 0 HB2 MET A 56 116.924 -7.246 -6.074 1.00 0.00 H new ATOM 0 HB3 MET A 56 117.988 -5.980 -5.495 1.00 0.00 H new ATOM 0 HG2 MET A 56 117.308 -4.520 -7.423 1.00 0.00 H new ATOM 0 HG3 MET A 56 116.253 -5.788 -8.016 1.00 0.00 H new ATOM 0 HE1 MET A 56 114.404 -2.928 -7.189 1.00 0.00 H new ATOM 0 HE2 MET A 56 114.612 -4.345 -8.245 1.00 0.00 H new ATOM 0 HE3 MET A 56 113.273 -4.297 -7.073 1.00 0.00 H new ATOM 901 N ASP A 57 119.535 -8.996 -6.491 1.00 0.00 N ATOM 902 CA ASP A 57 120.524 -9.841 -5.767 1.00 0.00 C ATOM 903 C ASP A 57 121.846 -9.932 -6.539 1.00 0.00 C ATOM 904 O ASP A 57 122.814 -10.463 -6.024 1.00 0.00 O ATOM 905 CB ASP A 57 119.863 -11.217 -5.684 1.00 0.00 C ATOM 906 CG ASP A 57 120.684 -12.133 -4.770 1.00 0.00 C ATOM 907 OD1 ASP A 57 121.524 -11.623 -4.044 1.00 0.00 O ATOM 908 OD2 ASP A 57 120.460 -13.332 -4.810 1.00 0.00 O1- ATOM 0 H ASP A 57 118.749 -9.505 -6.896 1.00 0.00 H new ATOM 0 HA ASP A 57 120.770 -9.431 -4.788 1.00 0.00 H new ATOM 0 HB2 ASP A 57 118.848 -11.120 -5.300 1.00 0.00 H new ATOM 0 HB3 ASP A 57 119.787 -11.655 -6.679 1.00 0.00 H new ATOM 913 N ASN A 58 121.921 -9.442 -7.759 1.00 0.00 N ATOM 914 CA ASN A 58 123.216 -9.556 -8.497 1.00 0.00 C ATOM 915 C ASN A 58 124.150 -8.393 -8.158 1.00 0.00 C ATOM 916 O ASN A 58 124.238 -7.411 -8.868 1.00 0.00 O ATOM 917 CB ASN A 58 122.886 -9.574 -9.991 1.00 0.00 C ATOM 918 CG ASN A 58 124.180 -9.806 -10.779 1.00 0.00 C ATOM 919 OD1 ASN A 58 125.256 -9.810 -10.213 1.00 0.00 O ATOM 920 ND2 ASN A 58 124.126 -10.000 -12.069 1.00 0.00 N ATOM 0 H ASN A 58 121.162 -8.981 -8.261 1.00 0.00 H new ATOM 0 HA ASN A 58 123.737 -10.469 -8.208 1.00 0.00 H new ATOM 0 HB2 ASN A 58 122.165 -10.362 -10.209 1.00 0.00 H new ATOM 0 HB3 ASN A 58 122.427 -8.631 -10.288 1.00 0.00 H new ATOM 0 HD21 ASN A 58 124.984 -10.154 -12.598 1.00 0.00 H new ATOM 0 HD22 ASN A 58 123.225 -9.997 -12.548 1.00 0.00 H new ATOM 927 N THR A 59 124.887 -8.548 -7.094 1.00 0.00 N ATOM 928 CA THR A 59 125.885 -7.521 -6.685 1.00 0.00 C ATOM 929 C THR A 59 127.168 -8.272 -6.316 1.00 0.00 C ATOM 930 O THR A 59 127.134 -9.437 -5.973 1.00 0.00 O ATOM 931 CB THR A 59 125.287 -6.799 -5.473 1.00 0.00 C ATOM 932 OG1 THR A 59 125.075 -7.736 -4.424 1.00 0.00 O ATOM 933 CG2 THR A 59 123.958 -6.141 -5.860 1.00 0.00 C ATOM 0 H THR A 59 124.838 -9.360 -6.478 1.00 0.00 H new ATOM 0 HA THR A 59 126.114 -6.793 -7.463 1.00 0.00 H new ATOM 0 HB THR A 59 125.977 -6.026 -5.135 1.00 0.00 H new ATOM 0 HG1 THR A 59 124.423 -7.374 -3.788 1.00 0.00 H new ATOM 0 HG21 THR A 59 123.539 -5.630 -4.993 1.00 0.00 H new ATOM 0 HG22 THR A 59 124.128 -5.420 -6.659 1.00 0.00 H new ATOM 0 HG23 THR A 59 123.260 -6.905 -6.203 1.00 0.00 H new ATOM 941 N LYS A 60 128.298 -7.636 -6.422 1.00 0.00 N ATOM 942 CA LYS A 60 129.586 -8.334 -6.123 1.00 0.00 C ATOM 943 C LYS A 60 129.652 -8.815 -4.671 1.00 0.00 C ATOM 944 O LYS A 60 130.129 -9.898 -4.392 1.00 0.00 O ATOM 945 CB LYS A 60 130.666 -7.289 -6.379 1.00 0.00 C ATOM 946 CG LYS A 60 132.045 -7.946 -6.325 1.00 0.00 C ATOM 947 CD LYS A 60 133.110 -6.893 -6.635 1.00 0.00 C ATOM 948 CE LYS A 60 134.499 -7.530 -6.581 1.00 0.00 C ATOM 949 NZ LYS A 60 134.523 -8.494 -7.716 1.00 0.00 N1+ ATOM 0 H LYS A 60 128.390 -6.660 -6.703 1.00 0.00 H new ATOM 0 HA LYS A 60 129.703 -9.225 -6.740 1.00 0.00 H new ATOM 0 HB2 LYS A 60 130.512 -6.825 -7.353 1.00 0.00 H new ATOM 0 HB3 LYS A 60 130.601 -6.496 -5.634 1.00 0.00 H new ATOM 0 HG2 LYS A 60 132.218 -8.378 -5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 60 132.102 -8.762 -7.045 1.00 0.00 H new ATOM 0 HD2 LYS A 60 132.934 -6.464 -7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 60 133.046 -6.076 -5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 60 135.282 -6.779 -6.684 1.00 0.00 H new ATOM 0 HE3 LYS A 60 134.665 -8.036 -5.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 135.503 -8.626 -8.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 134.136 -9.407 -7.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 133.947 -8.123 -8.499 1.00 0.00 H new ATOM 963 N LEU A 61 129.198 -8.022 -3.742 1.00 0.00 N ATOM 964 CA LEU A 61 129.255 -8.456 -2.315 1.00 0.00 C ATOM 965 C LEU A 61 127.898 -8.984 -1.842 1.00 0.00 C ATOM 966 O LEU A 61 127.737 -9.321 -0.688 1.00 0.00 O ATOM 967 CB LEU A 61 129.655 -7.219 -1.527 1.00 0.00 C ATOM 968 CG LEU A 61 130.988 -6.702 -2.051 1.00 0.00 C ATOM 969 CD1 LEU A 61 131.358 -5.416 -1.311 1.00 0.00 C ATOM 970 CD2 LEU A 61 132.071 -7.757 -1.819 1.00 0.00 C ATOM 0 H LEU A 61 128.793 -7.100 -3.904 1.00 0.00 H new ATOM 0 HA LEU A 61 129.965 -9.271 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 61 128.890 -6.449 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 61 129.736 -7.459 -0.467 1.00 0.00 H new ATOM 0 HG LEU A 61 130.907 -6.497 -3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 61 132.312 -5.043 -1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 61 130.585 -4.665 -1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 61 131.441 -5.621 -0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 61 133.025 -7.387 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 61 132.156 -7.963 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 61 131.805 -8.674 -2.345 1.00 0.00 H new ATOM 982 N GLN A 62 126.928 -9.078 -2.725 1.00 0.00 N ATOM 983 CA GLN A 62 125.592 -9.612 -2.339 1.00 0.00 C ATOM 984 C GLN A 62 124.996 -8.819 -1.180 1.00 0.00 C ATOM 985 O GLN A 62 124.411 -9.355 -0.259 1.00 0.00 O ATOM 986 CB GLN A 62 125.854 -11.068 -1.932 1.00 0.00 C ATOM 987 CG GLN A 62 126.371 -11.851 -3.140 1.00 0.00 C ATOM 988 CD GLN A 62 126.783 -13.253 -2.690 1.00 0.00 C ATOM 989 OE1 GLN A 62 126.637 -13.600 -1.535 1.00 0.00 O ATOM 990 NE2 GLN A 62 127.301 -14.078 -3.557 1.00 0.00 N ATOM 0 H GLN A 62 127.012 -8.803 -3.704 1.00 0.00 H new ATOM 0 HA GLN A 62 124.872 -9.537 -3.154 1.00 0.00 H new ATOM 0 HB2 GLN A 62 126.583 -11.105 -1.122 1.00 0.00 H new ATOM 0 HB3 GLN A 62 124.937 -11.522 -1.556 1.00 0.00 H new ATOM 0 HG2 GLN A 62 125.598 -11.914 -3.906 1.00 0.00 H new ATOM 0 HG3 GLN A 62 127.221 -11.335 -3.587 1.00 0.00 H new ATOM 0 HE21 GLN A 62 127.424 -13.788 -4.527 1.00 0.00 H new ATOM 0 HE22 GLN A 62 127.583 -15.014 -3.265 1.00 0.00 H new ATOM 999 N ASN A 63 125.150 -7.522 -1.254 1.00 0.00 N ATOM 1000 CA ASN A 63 124.612 -6.610 -0.207 1.00 0.00 C ATOM 1001 C ASN A 63 123.599 -5.632 -0.810 1.00 0.00 C ATOM 1002 O ASN A 63 123.696 -4.433 -0.639 1.00 0.00 O ATOM 1003 CB ASN A 63 125.821 -5.848 0.349 1.00 0.00 C ATOM 1004 CG ASN A 63 126.782 -6.824 1.032 1.00 0.00 C ATOM 1005 OD1 ASN A 63 126.360 -7.752 1.689 1.00 0.00 O ATOM 1006 ND2 ASN A 63 128.071 -6.645 0.908 1.00 0.00 N ATOM 0 H ASN A 63 125.638 -7.049 -2.015 1.00 0.00 H new ATOM 0 HA ASN A 63 124.093 -7.166 0.574 1.00 0.00 H new ATOM 0 HB2 ASN A 63 126.334 -5.323 -0.457 1.00 0.00 H new ATOM 0 HB3 ASN A 63 125.490 -5.092 1.061 1.00 0.00 H new ATOM 0 HD21 ASN A 63 128.721 -7.286 1.364 1.00 0.00 H new ATOM 0 HD22 ASN A 63 128.427 -5.865 0.356 1.00 0.00 H new ATOM 1013 N GLY A 64 122.603 -6.148 -1.478 1.00 0.00 N ATOM 1014 CA GLY A 64 121.547 -5.268 -2.053 1.00 0.00 C ATOM 1015 C GLY A 64 120.329 -5.318 -1.121 1.00 0.00 C ATOM 1016 O GLY A 64 119.984 -6.359 -0.599 1.00 0.00 O ATOM 0 H GLY A 64 122.475 -7.145 -1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 64 121.913 -4.246 -2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 64 121.275 -5.603 -3.054 1.00 0.00 H new ATOM 1020 N VAL A 65 119.678 -4.207 -0.901 1.00 0.00 N ATOM 1021 CA VAL A 65 118.490 -4.213 0.012 1.00 0.00 C ATOM 1022 C VAL A 65 117.250 -3.666 -0.714 1.00 0.00 C ATOM 1023 O VAL A 65 117.297 -2.651 -1.378 1.00 0.00 O ATOM 1024 CB VAL A 65 118.894 -3.309 1.203 1.00 0.00 C ATOM 1025 CG1 VAL A 65 117.671 -2.949 2.063 1.00 0.00 C ATOM 1026 CG2 VAL A 65 119.910 -4.050 2.077 1.00 0.00 C ATOM 0 H VAL A 65 119.912 -3.302 -1.308 1.00 0.00 H new ATOM 0 HA VAL A 65 118.227 -5.217 0.345 1.00 0.00 H new ATOM 0 HB VAL A 65 119.327 -2.391 0.805 1.00 0.00 H new ATOM 0 HG11 VAL A 65 117.983 -2.314 2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 65 116.941 -2.417 1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 65 117.220 -3.861 2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 65 120.197 -3.417 2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 65 119.464 -4.971 2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 65 120.793 -4.290 1.485 1.00 0.00 H new ATOM 1036 N LEU A 66 116.135 -4.336 -0.572 1.00 0.00 N ATOM 1037 CA LEU A 66 114.891 -3.852 -1.232 1.00 0.00 C ATOM 1038 C LEU A 66 113.839 -3.489 -0.174 1.00 0.00 C ATOM 1039 O LEU A 66 113.494 -4.291 0.672 1.00 0.00 O ATOM 1040 CB LEU A 66 114.398 -5.044 -2.051 1.00 0.00 C ATOM 1041 CG LEU A 66 113.080 -4.672 -2.739 1.00 0.00 C ATOM 1042 CD1 LEU A 66 113.347 -3.641 -3.839 1.00 0.00 C ATOM 1043 CD2 LEU A 66 112.450 -5.925 -3.349 1.00 0.00 C ATOM 0 H LEU A 66 116.035 -5.194 -0.029 1.00 0.00 H new ATOM 0 HA LEU A 66 115.067 -2.965 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 66 115.144 -5.323 -2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 66 114.253 -5.910 -1.405 1.00 0.00 H new ATOM 0 HG LEU A 66 112.396 -4.245 -2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 66 112.408 -3.378 -4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 66 113.791 -2.747 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 66 114.032 -4.063 -4.574 1.00 0.00 H new ATOM 0 HD21 LEU A 66 111.513 -5.660 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 66 113.133 -6.356 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 66 112.255 -6.654 -2.562 1.00 0.00 H new ATOM 1055 N ILE A 67 113.321 -2.293 -0.226 1.00 0.00 N ATOM 1056 CA ILE A 67 112.284 -1.907 0.779 1.00 0.00 C ATOM 1057 C ILE A 67 110.901 -1.930 0.121 1.00 0.00 C ATOM 1058 O ILE A 67 110.555 -1.060 -0.650 1.00 0.00 O ATOM 1059 CB ILE A 67 112.651 -0.496 1.248 1.00 0.00 C ATOM 1060 CG1 ILE A 67 114.035 -0.515 1.903 1.00 0.00 C ATOM 1061 CG2 ILE A 67 111.617 -0.009 2.267 1.00 0.00 C ATOM 1062 CD1 ILE A 67 114.493 0.920 2.180 1.00 0.00 C ATOM 0 H ILE A 67 113.564 -1.575 -0.908 1.00 0.00 H new ATOM 0 HA ILE A 67 112.252 -2.595 1.624 1.00 0.00 H new ATOM 0 HB ILE A 67 112.663 0.176 0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 67 114.000 -1.082 2.833 1.00 0.00 H new ATOM 0 HG13 ILE A 67 114.750 -1.016 1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 67 111.879 0.995 2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 67 110.630 0.008 1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 67 111.604 -0.683 3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 67 115.478 0.904 2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 67 114.544 1.473 1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 67 113.783 1.406 2.849 1.00 0.00 H new ATOM 1074 N TYR A 68 110.108 -2.923 0.419 1.00 0.00 N ATOM 1075 CA TYR A 68 108.754 -2.999 -0.198 1.00 0.00 C ATOM 1076 C TYR A 68 107.736 -2.281 0.687 1.00 0.00 C ATOM 1077 O TYR A 68 107.580 -2.585 1.851 1.00 0.00 O ATOM 1078 CB TYR A 68 108.442 -4.493 -0.257 1.00 0.00 C ATOM 1079 CG TYR A 68 107.238 -4.716 -1.131 1.00 0.00 C ATOM 1080 CD1 TYR A 68 105.959 -4.532 -0.600 1.00 0.00 C ATOM 1081 CD2 TYR A 68 107.395 -5.101 -2.469 1.00 0.00 C ATOM 1082 CE1 TYR A 68 104.832 -4.734 -1.400 1.00 0.00 C ATOM 1083 CE2 TYR A 68 106.266 -5.304 -3.272 1.00 0.00 C ATOM 1084 CZ TYR A 68 104.979 -5.120 -2.736 1.00 0.00 C ATOM 1085 OH TYR A 68 103.855 -5.316 -3.519 1.00 0.00 O ATOM 0 H TYR A 68 110.338 -3.682 1.060 1.00 0.00 H new ATOM 0 HA TYR A 68 108.715 -2.528 -1.180 1.00 0.00 H new ATOM 0 HB2 TYR A 68 109.298 -5.040 -0.652 1.00 0.00 H new ATOM 0 HB3 TYR A 68 108.254 -4.877 0.746 1.00 0.00 H new ATOM 0 HD1 TYR A 68 105.841 -4.233 0.431 1.00 0.00 H new ATOM 0 HD2 TYR A 68 108.384 -5.241 -2.880 1.00 0.00 H new ATOM 0 HE1 TYR A 68 103.845 -4.592 -0.986 1.00 0.00 H new ATOM 0 HE2 TYR A 68 106.384 -5.602 -4.303 1.00 0.00 H new ATOM 0 HH TYR A 68 104.127 -5.486 -4.445 1.00 0.00 H new ATOM 1095 N VAL A 69 107.062 -1.307 0.143 1.00 0.00 N ATOM 1096 CA VAL A 69 106.078 -0.539 0.955 1.00 0.00 C ATOM 1097 C VAL A 69 104.677 -0.601 0.337 1.00 0.00 C ATOM 1098 O VAL A 69 104.477 -0.343 -0.834 1.00 0.00 O ATOM 1099 CB VAL A 69 106.626 0.899 0.941 1.00 0.00 C ATOM 1100 CG1 VAL A 69 105.611 1.868 1.561 1.00 0.00 C ATOM 1101 CG2 VAL A 69 107.927 0.946 1.743 1.00 0.00 C ATOM 0 H VAL A 69 107.150 -1.010 -0.829 1.00 0.00 H new ATOM 0 HA VAL A 69 105.970 -0.937 1.964 1.00 0.00 H new ATOM 0 HB VAL A 69 106.810 1.198 -0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 69 106.016 2.880 1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 69 104.683 1.838 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 69 105.412 1.576 2.592 1.00 0.00 H new ATOM 0 HG21 VAL A 69 108.321 1.962 1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 69 107.732 0.638 2.770 1.00 0.00 H new ATOM 0 HG23 VAL A 69 108.656 0.272 1.294 1.00 0.00 H new ATOM 1111 N ALA A 70 103.706 -0.912 1.151 1.00 0.00 N ATOM 1112 CA ALA A 70 102.295 -0.969 0.682 1.00 0.00 C ATOM 1113 C ALA A 70 101.583 0.298 1.139 1.00 0.00 C ATOM 1114 O ALA A 70 101.230 0.435 2.295 1.00 0.00 O ATOM 1115 CB ALA A 70 101.695 -2.184 1.384 1.00 0.00 C ATOM 0 H ALA A 70 103.835 -1.133 2.138 1.00 0.00 H new ATOM 0 HA ALA A 70 102.207 -1.043 -0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 70 100.651 -2.296 1.090 1.00 0.00 H new ATOM 0 HB2 ALA A 70 102.250 -3.079 1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 70 101.755 -2.047 2.464 1.00 0.00 H new ATOM 1121 N VAL A 71 101.392 1.237 0.260 1.00 0.00 N ATOM 1122 CA VAL A 71 100.726 2.501 0.673 1.00 0.00 C ATOM 1123 C VAL A 71 99.235 2.266 0.974 1.00 0.00 C ATOM 1124 O VAL A 71 98.618 3.041 1.677 1.00 0.00 O ATOM 1125 CB VAL A 71 100.904 3.458 -0.510 1.00 0.00 C ATOM 1126 CG1 VAL A 71 102.392 3.577 -0.853 1.00 0.00 C ATOM 1127 CG2 VAL A 71 100.146 2.920 -1.728 1.00 0.00 C ATOM 0 H VAL A 71 101.666 1.186 -0.721 1.00 0.00 H new ATOM 0 HA VAL A 71 101.159 2.906 1.588 1.00 0.00 H new ATOM 0 HB VAL A 71 100.510 4.438 -0.241 1.00 0.00 H new ATOM 0 HG11 VAL A 71 102.518 4.258 -1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 71 102.935 3.963 0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 71 102.784 2.595 -1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 71 100.275 3.603 -2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 71 100.537 1.938 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 71 99.086 2.835 -1.489 1.00 0.00 H new ATOM 1137 N GLU A 72 98.647 1.206 0.471 1.00 0.00 N ATOM 1138 CA GLU A 72 97.202 0.958 0.773 1.00 0.00 C ATOM 1139 C GLU A 72 97.041 0.604 2.248 1.00 0.00 C ATOM 1140 O GLU A 72 96.183 1.124 2.934 1.00 0.00 O ATOM 1141 CB GLU A 72 96.798 -0.227 -0.096 1.00 0.00 C ATOM 1142 CG GLU A 72 96.873 0.172 -1.565 1.00 0.00 C ATOM 1143 CD GLU A 72 95.891 1.313 -1.841 1.00 0.00 C ATOM 1144 OE1 GLU A 72 94.984 1.496 -1.050 1.00 0.00 O1- ATOM 1145 OE2 GLU A 72 96.069 1.986 -2.845 1.00 0.00 O ATOM 0 H GLU A 72 99.097 0.512 -0.126 1.00 0.00 H new ATOM 0 HA GLU A 72 96.585 1.834 0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 72 97.457 -1.074 0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 72 95.786 -0.547 0.154 1.00 0.00 H new ATOM 0 HG2 GLU A 72 97.887 0.484 -1.816 1.00 0.00 H new ATOM 0 HG3 GLU A 72 96.637 -0.684 -2.197 1.00 0.00 H new ATOM 1152 N ASP A 73 97.869 -0.268 2.741 1.00 0.00 N ATOM 1153 CA ASP A 73 97.783 -0.644 4.176 1.00 0.00 C ATOM 1154 C ASP A 73 98.836 0.116 4.993 1.00 0.00 C ATOM 1155 O ASP A 73 98.948 -0.068 6.188 1.00 0.00 O ATOM 1156 CB ASP A 73 98.037 -2.149 4.205 1.00 0.00 C ATOM 1157 CG ASP A 73 96.836 -2.882 3.597 1.00 0.00 C ATOM 1158 OD1 ASP A 73 95.775 -2.282 3.516 1.00 0.00 O1- ATOM 1159 OD2 ASP A 73 96.994 -4.035 3.227 1.00 0.00 O ATOM 0 H ASP A 73 98.603 -0.738 2.212 1.00 0.00 H new ATOM 0 HA ASP A 73 96.818 -0.392 4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 73 98.942 -2.387 3.646 1.00 0.00 H new ATOM 0 HB3 ASP A 73 98.199 -2.482 5.230 1.00 0.00 H new ATOM 1164 N LYS A 74 99.611 0.984 4.367 1.00 0.00 N ATOM 1165 CA LYS A 74 100.649 1.749 5.115 1.00 0.00 C ATOM 1166 C LYS A 74 101.627 0.791 5.789 1.00 0.00 C ATOM 1167 O LYS A 74 101.924 0.917 6.958 1.00 0.00 O ATOM 1168 CB LYS A 74 99.892 2.567 6.161 1.00 0.00 C ATOM 1169 CG LYS A 74 100.569 3.923 6.334 1.00 0.00 C ATOM 1170 CD LYS A 74 99.719 4.789 7.262 1.00 0.00 C ATOM 1171 CE LYS A 74 100.356 6.172 7.407 1.00 0.00 C ATOM 1172 NZ LYS A 74 99.458 6.925 8.332 1.00 0.00 N1+ ATOM 0 H LYS A 74 99.561 1.189 3.369 1.00 0.00 H new ATOM 0 HA LYS A 74 101.232 2.390 4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 74 98.856 2.703 5.852 1.00 0.00 H new ATOM 0 HB3 LYS A 74 99.874 2.034 7.112 1.00 0.00 H new ATOM 0 HG2 LYS A 74 101.568 3.794 6.750 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.687 4.411 5.367 1.00 0.00 H new ATOM 0 HD2 LYS A 74 98.709 4.884 6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.632 4.314 8.239 1.00 0.00 H new ATOM 0 HE2 LYS A 74 101.366 6.099 7.811 1.00 0.00 H new ATOM 0 HE3 LYS A 74 100.435 6.672 6.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 99.834 7.884 8.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 98.506 6.986 7.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 99.408 6.431 9.246 1.00 0.00 H new ATOM 1186 N THR A 75 102.131 -0.170 5.062 1.00 0.00 N ATOM 1187 CA THR A 75 103.092 -1.130 5.674 1.00 0.00 C ATOM 1188 C THR A 75 104.414 -1.115 4.897 1.00 0.00 C ATOM 1189 O THR A 75 104.489 -0.627 3.786 1.00 0.00 O ATOM 1190 CB THR A 75 102.407 -2.498 5.583 1.00 0.00 C ATOM 1191 OG1 THR A 75 102.211 -2.839 4.217 1.00 0.00 O ATOM 1192 CG2 THR A 75 101.053 -2.438 6.292 1.00 0.00 C ATOM 0 H THR A 75 101.920 -0.331 4.077 1.00 0.00 H new ATOM 0 HA THR A 75 103.335 -0.878 6.706 1.00 0.00 H new ATOM 0 HB THR A 75 103.034 -3.251 6.060 1.00 0.00 H new ATOM 0 HG1 THR A 75 101.281 -3.115 4.079 1.00 0.00 H new ATOM 0 HG21 THR A 75 100.565 -3.411 6.228 1.00 0.00 H new ATOM 0 HG22 THR A 75 101.202 -2.175 7.339 1.00 0.00 H new ATOM 0 HG23 THR A 75 100.426 -1.685 5.815 1.00 0.00 H new ATOM 1200 N PHE A 76 105.462 -1.633 5.483 1.00 0.00 N ATOM 1201 CA PHE A 76 106.792 -1.649 4.801 1.00 0.00 C ATOM 1202 C PHE A 76 107.579 -2.905 5.185 1.00 0.00 C ATOM 1203 O PHE A 76 107.490 -3.394 6.294 1.00 0.00 O ATOM 1204 CB PHE A 76 107.515 -0.394 5.308 1.00 0.00 C ATOM 1205 CG PHE A 76 107.646 -0.436 6.814 1.00 0.00 C ATOM 1206 CD1 PHE A 76 106.637 0.106 7.619 1.00 0.00 C ATOM 1207 CD2 PHE A 76 108.777 -1.014 7.406 1.00 0.00 C ATOM 1208 CE1 PHE A 76 106.760 0.077 9.014 1.00 0.00 C ATOM 1209 CE2 PHE A 76 108.900 -1.044 8.801 1.00 0.00 C ATOM 1210 CZ PHE A 76 107.889 -0.501 9.605 1.00 0.00 C ATOM 0 H PHE A 76 105.454 -2.050 6.414 1.00 0.00 H new ATOM 0 HA PHE A 76 106.692 -1.658 3.716 1.00 0.00 H new ATOM 0 HB2 PHE A 76 108.503 -0.326 4.852 1.00 0.00 H new ATOM 0 HB3 PHE A 76 106.964 0.497 5.009 1.00 0.00 H new ATOM 0 HD1 PHE A 76 105.763 0.547 7.164 1.00 0.00 H new ATOM 0 HD2 PHE A 76 109.554 -1.437 6.786 1.00 0.00 H new ATOM 0 HE1 PHE A 76 105.983 0.501 9.633 1.00 0.00 H new ATOM 0 HE2 PHE A 76 109.774 -1.486 9.257 1.00 0.00 H new ATOM 0 HZ PHE A 76 107.981 -0.529 10.681 1.00 0.00 H new ATOM 1220 N VAL A 77 108.351 -3.428 4.269 1.00 0.00 N ATOM 1221 CA VAL A 77 109.153 -4.652 4.561 1.00 0.00 C ATOM 1222 C VAL A 77 110.597 -4.433 4.089 1.00 0.00 C ATOM 1223 O VAL A 77 110.827 -3.883 3.030 1.00 0.00 O ATOM 1224 CB VAL A 77 108.472 -5.762 3.747 1.00 0.00 C ATOM 1225 CG1 VAL A 77 109.333 -7.032 3.754 1.00 0.00 C ATOM 1226 CG2 VAL A 77 107.105 -6.074 4.358 1.00 0.00 C ATOM 0 H VAL A 77 108.461 -3.057 3.325 1.00 0.00 H new ATOM 0 HA VAL A 77 109.194 -4.899 5.622 1.00 0.00 H new ATOM 0 HB VAL A 77 108.350 -5.422 2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 77 108.838 -7.810 3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 77 110.306 -6.814 3.314 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.467 -7.375 4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 77 106.620 -6.862 3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 77 107.234 -6.405 5.388 1.00 0.00 H new ATOM 0 HG23 VAL A 77 106.485 -5.177 4.340 1.00 0.00 H new ATOM 1236 N ILE A 78 111.569 -4.858 4.849 1.00 0.00 N ATOM 1237 CA ILE A 78 112.982 -4.664 4.410 1.00 0.00 C ATOM 1238 C ILE A 78 113.644 -6.028 4.160 1.00 0.00 C ATOM 1239 O ILE A 78 113.653 -6.897 5.010 1.00 0.00 O ATOM 1240 CB ILE A 78 113.656 -3.919 5.567 1.00 0.00 C ATOM 1241 CG1 ILE A 78 112.887 -2.624 5.837 1.00 0.00 C ATOM 1242 CG2 ILE A 78 115.096 -3.571 5.184 1.00 0.00 C ATOM 1243 CD1 ILE A 78 113.393 -1.993 7.131 1.00 0.00 C ATOM 0 H ILE A 78 111.449 -5.327 5.747 1.00 0.00 H new ATOM 0 HA ILE A 78 113.062 -4.105 3.478 1.00 0.00 H new ATOM 0 HB ILE A 78 113.657 -4.549 6.456 1.00 0.00 H new ATOM 0 HG12 ILE A 78 113.018 -1.931 5.006 1.00 0.00 H new ATOM 0 HG13 ILE A 78 111.820 -2.831 5.914 1.00 0.00 H new ATOM 0 HG21 ILE A 78 115.574 -3.041 6.008 1.00 0.00 H new ATOM 0 HG22 ILE A 78 115.648 -4.487 4.973 1.00 0.00 H new ATOM 0 HG23 ILE A 78 115.094 -2.937 4.298 1.00 0.00 H new ATOM 0 HD11 ILE A 78 112.846 -1.070 7.324 1.00 0.00 H new ATOM 0 HD12 ILE A 78 113.239 -2.686 7.958 1.00 0.00 H new ATOM 0 HD13 ILE A 78 114.456 -1.771 7.036 1.00 0.00 H new ATOM 1255 N TYR A 79 114.189 -6.220 2.987 1.00 0.00 N ATOM 1256 CA TYR A 79 114.843 -7.524 2.660 1.00 0.00 C ATOM 1257 C TYR A 79 116.228 -7.296 2.050 1.00 0.00 C ATOM 1258 O TYR A 79 116.369 -6.699 1.001 1.00 0.00 O ATOM 1259 CB TYR A 79 113.914 -8.201 1.650 1.00 0.00 C ATOM 1260 CG TYR A 79 114.399 -9.610 1.395 1.00 0.00 C ATOM 1261 CD1 TYR A 79 114.183 -10.606 2.355 1.00 0.00 C ATOM 1262 CD2 TYR A 79 115.061 -9.923 0.202 1.00 0.00 C ATOM 1263 CE1 TYR A 79 114.632 -11.913 2.123 1.00 0.00 C ATOM 1264 CE2 TYR A 79 115.510 -11.233 -0.028 1.00 0.00 C ATOM 1265 CZ TYR A 79 115.295 -12.225 0.932 1.00 0.00 C ATOM 1266 OH TYR A 79 115.735 -13.513 0.703 1.00 0.00 O ATOM 0 H TYR A 79 114.210 -5.528 2.238 1.00 0.00 H new ATOM 0 HA TYR A 79 114.991 -8.137 3.549 1.00 0.00 H new ATOM 0 HB2 TYR A 79 112.893 -8.219 2.032 1.00 0.00 H new ATOM 0 HB3 TYR A 79 113.896 -7.636 0.718 1.00 0.00 H new ATOM 0 HD1 TYR A 79 113.670 -10.367 3.275 1.00 0.00 H new ATOM 0 HD2 TYR A 79 115.226 -9.157 -0.541 1.00 0.00 H new ATOM 0 HE1 TYR A 79 114.466 -12.680 2.865 1.00 0.00 H new ATOM 0 HE2 TYR A 79 116.022 -11.474 -0.948 1.00 0.00 H new ATOM 0 HH TYR A 79 115.145 -14.147 1.162 1.00 0.00 H new ATOM 1276 N GLY A 80 117.252 -7.772 2.707 1.00 0.00 N ATOM 1277 CA GLY A 80 118.626 -7.591 2.181 1.00 0.00 C ATOM 1278 C GLY A 80 119.112 -8.908 1.588 1.00 0.00 C ATOM 1279 O GLY A 80 118.504 -9.944 1.756 1.00 0.00 O ATOM 0 H GLY A 80 117.190 -8.280 3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 80 118.638 -6.810 1.421 1.00 0.00 H new ATOM 0 HA3 GLY A 80 119.295 -7.269 2.979 1.00 0.00 H new ATOM 1283 N ASP A 81 120.205 -8.866 0.887 1.00 0.00 N ATOM 1284 CA ASP A 81 120.737 -10.108 0.265 1.00 0.00 C ATOM 1285 C ASP A 81 121.533 -10.924 1.293 1.00 0.00 C ATOM 1286 O ASP A 81 121.666 -10.542 2.438 1.00 0.00 O ATOM 1287 CB ASP A 81 121.630 -9.622 -0.875 1.00 0.00 C ATOM 1288 CG ASP A 81 120.760 -9.034 -1.988 1.00 0.00 C ATOM 1289 OD1 ASP A 81 119.925 -9.757 -2.507 1.00 0.00 O1- ATOM 1290 OD2 ASP A 81 120.946 -7.871 -2.307 1.00 0.00 O ATOM 0 H ASP A 81 120.755 -8.024 0.716 1.00 0.00 H new ATOM 0 HA ASP A 81 119.947 -10.766 -0.097 1.00 0.00 H new ATOM 0 HB2 ASP A 81 122.329 -8.870 -0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 81 122.226 -10.448 -1.262 1.00 0.00 H new ATOM 1295 N LYS A 82 122.048 -12.054 0.890 1.00 0.00 N ATOM 1296 CA LYS A 82 122.822 -12.913 1.836 1.00 0.00 C ATOM 1297 C LYS A 82 124.061 -12.182 2.359 1.00 0.00 C ATOM 1298 O LYS A 82 124.542 -12.448 3.443 1.00 0.00 O ATOM 1299 CB LYS A 82 123.218 -14.141 1.021 1.00 0.00 C ATOM 1300 CG LYS A 82 121.994 -15.034 0.825 1.00 0.00 C ATOM 1301 CD LYS A 82 122.385 -16.247 -0.016 1.00 0.00 C ATOM 1302 CE LYS A 82 121.155 -17.125 -0.249 1.00 0.00 C ATOM 1303 NZ LYS A 82 121.655 -18.293 -1.030 1.00 0.00 N1+ ATOM 0 H LYS A 82 121.966 -12.422 -0.058 1.00 0.00 H new ATOM 0 HA LYS A 82 122.235 -13.177 2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 82 123.618 -13.836 0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 82 124.006 -14.693 1.533 1.00 0.00 H new ATOM 0 HG2 LYS A 82 121.606 -15.357 1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 82 121.198 -14.476 0.332 1.00 0.00 H new ATOM 0 HD2 LYS A 82 122.799 -15.923 -0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 82 123.162 -16.819 0.491 1.00 0.00 H new ATOM 0 HE2 LYS A 82 120.712 -17.442 0.695 1.00 0.00 H new ATOM 0 HE3 LYS A 82 120.383 -16.585 -0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 120.866 -18.941 -1.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 122.065 -17.961 -1.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 122.383 -18.792 -0.480 1.00 0.00 H new ATOM 1317 N GLY A 83 124.591 -11.278 1.587 1.00 0.00 N ATOM 1318 CA GLY A 83 125.812 -10.544 2.024 1.00 0.00 C ATOM 1319 C GLY A 83 125.526 -9.727 3.289 1.00 0.00 C ATOM 1320 O GLY A 83 126.178 -9.907 4.306 1.00 0.00 O ATOM 0 H GLY A 83 124.232 -11.014 0.670 1.00 0.00 H new ATOM 0 HA2 GLY A 83 126.619 -11.251 2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 83 126.151 -9.883 1.226 1.00 0.00 H new ATOM 1324 N ILE A 84 124.547 -8.854 3.265 1.00 0.00 N ATOM 1325 CA ILE A 84 124.243 -8.075 4.501 1.00 0.00 C ATOM 1326 C ILE A 84 123.744 -9.049 5.578 1.00 0.00 C ATOM 1327 O ILE A 84 124.125 -8.967 6.725 1.00 0.00 O ATOM 1328 CB ILE A 84 123.137 -7.086 4.095 1.00 0.00 C ATOM 1329 CG1 ILE A 84 123.691 -6.037 3.124 1.00 0.00 C ATOM 1330 CG2 ILE A 84 122.596 -6.372 5.332 1.00 0.00 C ATOM 1331 CD1 ILE A 84 122.522 -5.316 2.447 1.00 0.00 C ATOM 0 H ILE A 84 123.957 -8.651 2.458 1.00 0.00 H new ATOM 0 HA ILE A 84 125.108 -7.547 4.903 1.00 0.00 H new ATOM 0 HB ILE A 84 122.338 -7.646 3.610 1.00 0.00 H new ATOM 0 HG12 ILE A 84 124.315 -5.321 3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 84 124.323 -6.514 2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 84 121.813 -5.674 5.036 1.00 0.00 H new ATOM 0 HG22 ILE A 84 122.184 -7.106 6.025 1.00 0.00 H new ATOM 0 HG23 ILE A 84 123.404 -5.826 5.820 1.00 0.00 H new ATOM 0 HD11 ILE A 84 122.908 -4.568 1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 84 121.916 -6.039 1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 84 121.908 -4.827 3.204 1.00 0.00 H new ATOM 1343 N ASN A 85 122.857 -9.943 5.225 1.00 0.00 N ATOM 1344 CA ASN A 85 122.286 -10.878 6.244 1.00 0.00 C ATOM 1345 C ASN A 85 123.372 -11.741 6.890 1.00 0.00 C ATOM 1346 O ASN A 85 123.334 -12.009 8.073 1.00 0.00 O ATOM 1347 CB ASN A 85 121.288 -11.748 5.473 1.00 0.00 C ATOM 1348 CG ASN A 85 120.593 -12.716 6.435 1.00 0.00 C ATOM 1349 OD1 ASN A 85 120.893 -12.742 7.612 1.00 0.00 O ATOM 1350 ND2 ASN A 85 119.668 -13.520 5.981 1.00 0.00 N ATOM 0 H ASN A 85 122.503 -10.067 4.277 1.00 0.00 H new ATOM 0 HA ASN A 85 121.814 -10.334 7.062 1.00 0.00 H new ATOM 0 HB2 ASN A 85 120.548 -11.118 4.979 1.00 0.00 H new ATOM 0 HB3 ASN A 85 121.805 -12.305 4.692 1.00 0.00 H new ATOM 0 HD21 ASN A 85 119.199 -14.168 6.615 1.00 0.00 H new ATOM 0 HD22 ASN A 85 119.415 -13.500 4.993 1.00 0.00 H new ATOM 1357 N ASP A 86 124.330 -12.185 6.132 1.00 0.00 N ATOM 1358 CA ASP A 86 125.405 -13.037 6.713 1.00 0.00 C ATOM 1359 C ASP A 86 126.354 -12.229 7.608 1.00 0.00 C ATOM 1360 O ASP A 86 127.017 -12.776 8.469 1.00 0.00 O ATOM 1361 CB ASP A 86 126.173 -13.567 5.498 1.00 0.00 C ATOM 1362 CG ASP A 86 127.246 -14.572 5.948 1.00 0.00 C ATOM 1363 OD1 ASP A 86 127.395 -14.767 7.143 1.00 0.00 O1- ATOM 1364 OD2 ASP A 86 127.897 -15.137 5.080 1.00 0.00 O ATOM 0 H ASP A 86 124.418 -11.996 5.134 1.00 0.00 H new ATOM 0 HA ASP A 86 124.988 -13.825 7.341 1.00 0.00 H new ATOM 0 HB2 ASP A 86 125.483 -14.046 4.803 1.00 0.00 H new ATOM 0 HB3 ASP A 86 126.640 -12.739 4.964 1.00 0.00 H new ATOM 1369 N VAL A 87 126.456 -10.939 7.403 1.00 0.00 N ATOM 1370 CA VAL A 87 127.408 -10.138 8.233 1.00 0.00 C ATOM 1371 C VAL A 87 126.713 -9.325 9.338 1.00 0.00 C ATOM 1372 O VAL A 87 127.347 -8.939 10.301 1.00 0.00 O ATOM 1373 CB VAL A 87 128.106 -9.206 7.236 1.00 0.00 C ATOM 1374 CG1 VAL A 87 127.114 -8.173 6.695 1.00 0.00 C ATOM 1375 CG2 VAL A 87 129.254 -8.489 7.945 1.00 0.00 C ATOM 0 H VAL A 87 125.929 -10.412 6.707 1.00 0.00 H new ATOM 0 HA VAL A 87 128.098 -10.793 8.764 1.00 0.00 H new ATOM 0 HB VAL A 87 128.492 -9.793 6.402 1.00 0.00 H new ATOM 0 HG11 VAL A 87 127.621 -7.517 5.988 1.00 0.00 H new ATOM 0 HG12 VAL A 87 126.294 -8.685 6.191 1.00 0.00 H new ATOM 0 HG13 VAL A 87 126.719 -7.581 7.520 1.00 0.00 H new ATOM 0 HG21 VAL A 87 129.756 -7.824 7.243 1.00 0.00 H new ATOM 0 HG22 VAL A 87 128.860 -7.907 8.778 1.00 0.00 H new ATOM 0 HG23 VAL A 87 129.966 -9.224 8.320 1.00 0.00 H new ATOM 1385 N VAL A 88 125.440 -9.047 9.218 1.00 0.00 N ATOM 1386 CA VAL A 88 124.775 -8.244 10.281 1.00 0.00 C ATOM 1387 C VAL A 88 123.662 -9.046 10.957 1.00 0.00 C ATOM 1388 O VAL A 88 123.234 -10.071 10.467 1.00 0.00 O ATOM 1389 CB VAL A 88 124.231 -7.000 9.585 1.00 0.00 C ATOM 1390 CG1 VAL A 88 125.358 -6.289 8.833 1.00 0.00 C ATOM 1391 CG2 VAL A 88 123.118 -7.382 8.621 1.00 0.00 C ATOM 0 H VAL A 88 124.843 -9.336 8.443 1.00 0.00 H new ATOM 0 HA VAL A 88 125.471 -7.973 11.075 1.00 0.00 H new ATOM 0 HB VAL A 88 123.825 -6.324 10.337 1.00 0.00 H new ATOM 0 HG11 VAL A 88 124.962 -5.402 8.339 1.00 0.00 H new ATOM 0 HG12 VAL A 88 126.136 -5.995 9.537 1.00 0.00 H new ATOM 0 HG13 VAL A 88 125.779 -6.963 8.087 1.00 0.00 H new ATOM 0 HG21 VAL A 88 122.738 -6.486 8.131 1.00 0.00 H new ATOM 0 HG22 VAL A 88 123.507 -8.069 7.870 1.00 0.00 H new ATOM 0 HG23 VAL A 88 122.310 -7.865 9.171 1.00 0.00 H new ATOM 1401 N SER A 89 123.231 -8.617 12.105 1.00 0.00 N ATOM 1402 CA SER A 89 122.195 -9.394 12.841 1.00 0.00 C ATOM 1403 C SER A 89 120.833 -8.703 12.865 1.00 0.00 C ATOM 1404 O SER A 89 120.642 -7.623 12.331 1.00 0.00 O ATOM 1405 CB SER A 89 122.746 -9.493 14.259 1.00 0.00 C ATOM 1406 OG SER A 89 122.715 -8.207 14.863 1.00 0.00 O ATOM 0 H SER A 89 123.548 -7.765 12.567 1.00 0.00 H new ATOM 0 HA SER A 89 122.020 -10.357 12.362 1.00 0.00 H new ATOM 0 HB2 SER A 89 122.154 -10.197 14.844 1.00 0.00 H new ATOM 0 HB3 SER A 89 123.767 -9.874 14.240 1.00 0.00 H new ATOM 0 HG SER A 89 123.067 -8.266 15.776 1.00 0.00 H new ATOM 1412 N ASP A 90 119.892 -9.326 13.519 1.00 0.00 N ATOM 1413 CA ASP A 90 118.535 -8.738 13.635 1.00 0.00 C ATOM 1414 C ASP A 90 118.611 -7.419 14.406 1.00 0.00 C ATOM 1415 O ASP A 90 117.905 -6.476 14.110 1.00 0.00 O ATOM 1416 CB ASP A 90 117.720 -9.780 14.407 1.00 0.00 C ATOM 1417 CG ASP A 90 117.173 -10.830 13.436 1.00 0.00 C ATOM 1418 OD1 ASP A 90 117.132 -10.548 12.250 1.00 0.00 O ATOM 1419 OD2 ASP A 90 116.795 -11.897 13.896 1.00 0.00 O1- ATOM 0 H ASP A 90 120.010 -10.227 13.982 1.00 0.00 H new ATOM 0 HA ASP A 90 118.085 -8.515 12.668 1.00 0.00 H new ATOM 0 HB2 ASP A 90 118.345 -10.259 15.161 1.00 0.00 H new ATOM 0 HB3 ASP A 90 116.898 -9.295 14.934 1.00 0.00 H new ATOM 1424 N ASP A 91 119.468 -7.339 15.391 1.00 0.00 N ATOM 1425 CA ASP A 91 119.587 -6.069 16.164 1.00 0.00 C ATOM 1426 C ASP A 91 120.109 -4.969 15.243 1.00 0.00 C ATOM 1427 O ASP A 91 119.666 -3.839 15.299 1.00 0.00 O ATOM 1428 CB ASP A 91 120.592 -6.344 17.280 1.00 0.00 C ATOM 1429 CG ASP A 91 119.882 -6.984 18.475 1.00 0.00 C ATOM 1430 OD1 ASP A 91 118.665 -6.919 18.526 1.00 0.00 O ATOM 1431 OD2 ASP A 91 120.572 -7.535 19.318 1.00 0.00 O1- ATOM 0 H ASP A 91 120.086 -8.093 15.691 1.00 0.00 H new ATOM 0 HA ASP A 91 118.629 -5.745 16.571 1.00 0.00 H new ATOM 0 HB2 ASP A 91 121.379 -7.005 16.917 1.00 0.00 H new ATOM 0 HB3 ASP A 91 121.072 -5.414 17.586 1.00 0.00 H new ATOM 1436 N PHE A 92 121.029 -5.292 14.376 1.00 0.00 N ATOM 1437 CA PHE A 92 121.540 -4.261 13.435 1.00 0.00 C ATOM 1438 C PHE A 92 120.409 -3.838 12.489 1.00 0.00 C ATOM 1439 O PHE A 92 120.405 -2.748 11.954 1.00 0.00 O ATOM 1440 CB PHE A 92 122.713 -4.909 12.695 1.00 0.00 C ATOM 1441 CG PHE A 92 123.178 -4.006 11.576 1.00 0.00 C ATOM 1442 CD1 PHE A 92 124.106 -2.990 11.826 1.00 0.00 C ATOM 1443 CD2 PHE A 92 122.682 -4.198 10.284 1.00 0.00 C ATOM 1444 CE1 PHE A 92 124.538 -2.168 10.777 1.00 0.00 C ATOM 1445 CE2 PHE A 92 123.115 -3.380 9.237 1.00 0.00 C ATOM 1446 CZ PHE A 92 124.042 -2.364 9.484 1.00 0.00 C ATOM 0 H PHE A 92 121.445 -6.218 14.280 1.00 0.00 H new ATOM 0 HA PHE A 92 121.879 -3.355 13.938 1.00 0.00 H new ATOM 0 HB2 PHE A 92 123.533 -5.095 13.388 1.00 0.00 H new ATOM 0 HB3 PHE A 92 122.411 -5.876 12.292 1.00 0.00 H new ATOM 0 HD1 PHE A 92 124.488 -2.840 12.825 1.00 0.00 H new ATOM 0 HD2 PHE A 92 121.962 -4.980 10.094 1.00 0.00 H new ATOM 0 HE1 PHE A 92 125.254 -1.382 10.967 1.00 0.00 H new ATOM 0 HE2 PHE A 92 122.734 -3.533 8.238 1.00 0.00 H new ATOM 0 HZ PHE A 92 124.376 -1.730 8.676 1.00 0.00 H new ATOM 1456 N TRP A 93 119.439 -4.699 12.295 1.00 0.00 N ATOM 1457 CA TRP A 93 118.291 -4.360 11.406 1.00 0.00 C ATOM 1458 C TRP A 93 117.207 -3.616 12.195 1.00 0.00 C ATOM 1459 O TRP A 93 116.406 -2.881 11.657 1.00 0.00 O ATOM 1460 CB TRP A 93 117.761 -5.714 10.938 1.00 0.00 C ATOM 1461 CG TRP A 93 118.393 -6.076 9.637 1.00 0.00 C ATOM 1462 CD1 TRP A 93 119.692 -6.421 9.464 1.00 0.00 C ATOM 1463 CD2 TRP A 93 117.781 -6.128 8.322 1.00 0.00 C ATOM 1464 NE1 TRP A 93 119.903 -6.687 8.122 1.00 0.00 N ATOM 1465 CE2 TRP A 93 118.762 -6.516 7.385 1.00 0.00 C ATOM 1466 CE3 TRP A 93 116.483 -5.882 7.856 1.00 0.00 C ATOM 1467 CZ2 TRP A 93 118.471 -6.651 6.035 1.00 0.00 C ATOM 1468 CZ3 TRP A 93 116.186 -6.015 6.495 1.00 0.00 C ATOM 1469 CH2 TRP A 93 117.177 -6.398 5.589 1.00 0.00 C ATOM 0 H TRP A 93 119.396 -5.626 12.718 1.00 0.00 H new ATOM 0 HA TRP A 93 118.583 -3.713 10.579 1.00 0.00 H new ATOM 0 HB2 TRP A 93 117.978 -6.478 11.684 1.00 0.00 H new ATOM 0 HB3 TRP A 93 116.677 -5.674 10.829 1.00 0.00 H new ATOM 0 HD1 TRP A 93 120.438 -6.479 10.243 1.00 0.00 H new ATOM 0 HE1 TRP A 93 120.799 -6.975 7.730 1.00 0.00 H new ATOM 0 HE3 TRP A 93 115.709 -5.589 8.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 119.240 -6.949 5.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 115.184 -5.820 6.143 1.00 0.00 H new ATOM 0 HH2 TRP A 93 116.939 -6.498 4.540 1.00 0.00 H new ATOM 1480 N ASP A 94 117.149 -3.846 13.474 1.00 0.00 N ATOM 1481 CA ASP A 94 116.081 -3.214 14.297 1.00 0.00 C ATOM 1482 C ASP A 94 116.142 -1.684 14.246 1.00 0.00 C ATOM 1483 O ASP A 94 115.109 -1.038 14.237 1.00 0.00 O ATOM 1484 CB ASP A 94 116.327 -3.727 15.713 1.00 0.00 C ATOM 1485 CG ASP A 94 115.639 -5.086 15.890 1.00 0.00 C ATOM 1486 OD1 ASP A 94 114.802 -5.424 15.067 1.00 0.00 O1- ATOM 1487 OD2 ASP A 94 115.966 -5.771 16.846 1.00 0.00 O ATOM 0 H ASP A 94 117.795 -4.445 13.987 1.00 0.00 H new ATOM 0 HA ASP A 94 115.088 -3.471 13.927 1.00 0.00 H new ATOM 0 HB2 ASP A 94 117.397 -3.822 15.896 1.00 0.00 H new ATOM 0 HB3 ASP A 94 115.941 -3.014 16.442 1.00 0.00 H new ATOM 1492 N THR A 95 117.307 -1.086 14.208 1.00 0.00 N ATOM 1493 CA THR A 95 117.348 0.402 14.153 1.00 0.00 C ATOM 1494 C THR A 95 116.690 0.860 12.843 1.00 0.00 C ATOM 1495 O THR A 95 116.051 1.892 12.764 1.00 0.00 O ATOM 1496 CB THR A 95 118.834 0.778 14.200 1.00 0.00 C ATOM 1497 OG1 THR A 95 119.472 0.066 15.252 1.00 0.00 O ATOM 1498 CG2 THR A 95 118.981 2.280 14.433 1.00 0.00 C ATOM 0 H THR A 95 118.213 -1.555 14.213 1.00 0.00 H new ATOM 0 HA THR A 95 116.812 0.878 14.974 1.00 0.00 H new ATOM 0 HB THR A 95 119.301 0.516 13.250 1.00 0.00 H new ATOM 0 HG1 THR A 95 120.422 0.306 15.280 1.00 0.00 H new ATOM 0 HG21 THR A 95 120.039 2.541 14.466 1.00 0.00 H new ATOM 0 HG22 THR A 95 118.498 2.823 13.621 1.00 0.00 H new ATOM 0 HG23 THR A 95 118.512 2.549 15.379 1.00 0.00 H new ATOM 1506 N THR A 96 116.875 0.070 11.814 1.00 0.00 N ATOM 1507 CA THR A 96 116.311 0.383 10.458 1.00 0.00 C ATOM 1508 C THR A 96 114.783 0.487 10.466 1.00 0.00 C ATOM 1509 O THR A 96 114.195 1.431 9.969 1.00 0.00 O ATOM 1510 CB THR A 96 116.677 -0.852 9.630 1.00 0.00 C ATOM 1511 OG1 THR A 96 118.039 -1.189 9.860 1.00 0.00 O ATOM 1512 CG2 THR A 96 116.474 -0.546 8.147 1.00 0.00 C ATOM 0 H THR A 96 117.406 -0.800 11.856 1.00 0.00 H new ATOM 0 HA THR A 96 116.696 1.334 10.089 1.00 0.00 H new ATOM 0 HB THR A 96 116.041 -1.688 9.921 1.00 0.00 H new ATOM 0 HG1 THR A 96 118.274 -1.980 9.332 1.00 0.00 H new ATOM 0 HG21 THR A 96 116.734 -1.424 7.555 1.00 0.00 H new ATOM 0 HG22 THR A 96 115.431 -0.284 7.969 1.00 0.00 H new ATOM 0 HG23 THR A 96 117.112 0.289 7.857 1.00 0.00 H new ATOM 1520 N ARG A 97 114.144 -0.503 11.033 1.00 0.00 N ATOM 1521 CA ARG A 97 112.652 -0.527 11.093 1.00 0.00 C ATOM 1522 C ARG A 97 112.111 0.571 12.008 1.00 0.00 C ATOM 1523 O ARG A 97 111.065 1.133 11.747 1.00 0.00 O ATOM 1524 CB ARG A 97 112.304 -1.919 11.624 1.00 0.00 C ATOM 1525 CG ARG A 97 112.652 -2.952 10.549 1.00 0.00 C ATOM 1526 CD ARG A 97 112.361 -4.363 11.060 1.00 0.00 C ATOM 1527 NE ARG A 97 112.684 -5.254 9.911 1.00 0.00 N ATOM 1528 CZ ARG A 97 112.350 -6.512 9.948 1.00 0.00 C ATOM 1529 NH1 ARG A 97 111.144 -6.856 10.307 1.00 0.00 N ATOM 1530 NH2 ARG A 97 113.224 -7.429 9.635 1.00 0.00 N1+ ATOM 0 H ARG A 97 114.600 -1.308 11.463 1.00 0.00 H new ATOM 0 HA ARG A 97 112.202 -0.338 10.118 1.00 0.00 H new ATOM 0 HB2 ARG A 97 112.859 -2.124 12.540 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.244 -1.975 11.874 1.00 0.00 H new ATOM 0 HG2 ARG A 97 112.073 -2.758 9.646 1.00 0.00 H new ATOM 0 HG3 ARG A 97 113.704 -2.865 10.278 1.00 0.00 H new ATOM 0 HD2 ARG A 97 112.971 -4.603 11.931 1.00 0.00 H new ATOM 0 HD3 ARG A 97 111.319 -4.468 11.362 1.00 0.00 H new ATOM 0 HE ARG A 97 113.167 -4.879 9.095 1.00 0.00 H new ATOM 0 HH11 ARG A 97 110.463 -6.140 10.559 1.00 0.00 H new ATOM 0 HH12 ARG A 97 110.882 -7.841 10.336 1.00 0.00 H new ATOM 0 HH21 ARG A 97 114.169 -7.160 9.361 1.00 0.00 H new ATOM 0 HH22 ARG A 97 112.962 -8.414 9.664 1.00 0.00 H new ATOM 1544 N ASN A 98 112.792 0.881 13.078 1.00 0.00 N ATOM 1545 CA ASN A 98 112.273 1.944 13.987 1.00 0.00 C ATOM 1546 C ASN A 98 112.237 3.298 13.274 1.00 0.00 C ATOM 1547 O ASN A 98 111.273 4.028 13.390 1.00 0.00 O ATOM 1548 CB ASN A 98 113.228 1.973 15.175 1.00 0.00 C ATOM 1549 CG ASN A 98 112.898 0.815 16.112 1.00 0.00 C ATOM 1550 OD1 ASN A 98 111.843 0.218 16.010 1.00 0.00 O ATOM 1551 ND2 ASN A 98 113.756 0.472 17.031 1.00 0.00 N ATOM 0 H ASN A 98 113.673 0.451 13.360 1.00 0.00 H new ATOM 0 HA ASN A 98 111.251 1.739 14.305 1.00 0.00 H new ATOM 0 HB2 ASN A 98 114.259 1.895 14.830 1.00 0.00 H new ATOM 0 HB3 ASN A 98 113.140 2.922 15.705 1.00 0.00 H new ATOM 0 HD21 ASN A 98 113.543 -0.298 17.666 1.00 0.00 H new ATOM 0 HD22 ASN A 98 114.640 0.973 17.116 1.00 0.00 H new ATOM 1558 N ALA A 99 113.256 3.648 12.531 1.00 0.00 N ATOM 1559 CA ALA A 99 113.225 4.961 11.820 1.00 0.00 C ATOM 1560 C ALA A 99 112.074 4.991 10.812 1.00 0.00 C ATOM 1561 O ALA A 99 111.295 5.925 10.777 1.00 0.00 O ATOM 1562 CB ALA A 99 114.571 5.059 11.099 1.00 0.00 C ATOM 0 H ALA A 99 114.097 3.090 12.387 1.00 0.00 H new ATOM 0 HA ALA A 99 113.070 5.794 12.505 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.623 6.001 10.552 1.00 0.00 H new ATOM 0 HB2 ALA A 99 115.379 5.018 11.830 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.671 4.228 10.401 1.00 0.00 H new ATOM 1568 N ILE A 100 111.941 3.974 10.000 1.00 0.00 N ATOM 1569 CA ILE A 100 110.820 3.966 9.013 1.00 0.00 C ATOM 1570 C ILE A 100 109.472 3.841 9.737 1.00 0.00 C ATOM 1571 O ILE A 100 108.505 4.487 9.391 1.00 0.00 O ATOM 1572 CB ILE A 100 111.061 2.745 8.106 1.00 0.00 C ATOM 1573 CG1 ILE A 100 112.324 2.973 7.274 1.00 0.00 C ATOM 1574 CG2 ILE A 100 109.863 2.563 7.160 1.00 0.00 C ATOM 1575 CD1 ILE A 100 112.739 1.660 6.605 1.00 0.00 C ATOM 0 H ILE A 100 112.552 3.158 9.977 1.00 0.00 H new ATOM 0 HA ILE A 100 110.789 4.890 8.435 1.00 0.00 H new ATOM 0 HB ILE A 100 111.180 1.854 8.723 1.00 0.00 H new ATOM 0 HG12 ILE A 100 112.141 3.737 6.518 1.00 0.00 H new ATOM 0 HG13 ILE A 100 113.130 3.340 7.910 1.00 0.00 H new ATOM 0 HG21 ILE A 100 110.034 1.699 6.518 1.00 0.00 H new ATOM 0 HG22 ILE A 100 108.957 2.406 7.746 1.00 0.00 H new ATOM 0 HG23 ILE A 100 109.747 3.455 6.544 1.00 0.00 H new ATOM 0 HD11 ILE A 100 113.639 1.822 6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 100 112.939 0.909 7.370 1.00 0.00 H new ATOM 0 HD13 ILE A 100 111.935 1.312 5.956 1.00 0.00 H new ATOM 1587 N GLN A 101 109.401 2.991 10.718 1.00 0.00 N ATOM 1588 CA GLN A 101 108.114 2.785 11.439 1.00 0.00 C ATOM 1589 C GLN A 101 107.661 4.062 12.149 1.00 0.00 C ATOM 1590 O GLN A 101 106.499 4.420 12.119 1.00 0.00 O ATOM 1591 CB GLN A 101 108.415 1.697 12.464 1.00 0.00 C ATOM 1592 CG GLN A 101 107.121 1.300 13.174 1.00 0.00 C ATOM 1593 CD GLN A 101 107.410 0.182 14.175 1.00 0.00 C ATOM 1594 OE1 GLN A 101 108.392 0.227 14.889 1.00 0.00 O ATOM 1595 NE2 GLN A 101 106.585 -0.825 14.259 1.00 0.00 N ATOM 0 H GLN A 101 110.181 2.426 11.055 1.00 0.00 H new ATOM 0 HA GLN A 101 107.311 2.513 10.754 1.00 0.00 H new ATOM 0 HB2 GLN A 101 108.854 0.829 11.972 1.00 0.00 H new ATOM 0 HB3 GLN A 101 109.146 2.056 13.189 1.00 0.00 H new ATOM 0 HG2 GLN A 101 106.697 2.162 13.688 1.00 0.00 H new ATOM 0 HG3 GLN A 101 106.381 0.968 12.446 1.00 0.00 H new ATOM 0 HE21 GLN A 101 105.761 -0.861 13.659 1.00 0.00 H new ATOM 0 HE22 GLN A 101 106.764 -1.577 14.925 1.00 0.00 H new ATOM 1604 N LEU A 102 108.558 4.731 12.814 1.00 0.00 N ATOM 1605 CA LEU A 102 108.172 5.965 13.561 1.00 0.00 C ATOM 1606 C LEU A 102 107.674 7.077 12.630 1.00 0.00 C ATOM 1607 O LEU A 102 106.696 7.746 12.926 1.00 0.00 O ATOM 1608 CB LEU A 102 109.439 6.397 14.302 1.00 0.00 C ATOM 1609 CG LEU A 102 109.706 5.417 15.449 1.00 0.00 C ATOM 1610 CD1 LEU A 102 111.044 5.744 16.117 1.00 0.00 C ATOM 1611 CD2 LEU A 102 108.581 5.525 16.481 1.00 0.00 C ATOM 0 H LEU A 102 109.544 4.479 12.875 1.00 0.00 H new ATOM 0 HA LEU A 102 107.342 5.768 14.240 1.00 0.00 H new ATOM 0 HB2 LEU A 102 110.287 6.415 13.618 1.00 0.00 H new ATOM 0 HB3 LEU A 102 109.321 7.408 14.691 1.00 0.00 H new ATOM 0 HG LEU A 102 109.745 4.403 15.052 1.00 0.00 H new ATOM 0 HD11 LEU A 102 111.225 5.042 16.931 1.00 0.00 H new ATOM 0 HD12 LEU A 102 111.846 5.664 15.383 1.00 0.00 H new ATOM 0 HD13 LEU A 102 111.015 6.759 16.513 1.00 0.00 H new ATOM 0 HD21 LEU A 102 108.769 4.829 17.298 1.00 0.00 H new ATOM 0 HD22 LEU A 102 108.543 6.542 16.872 1.00 0.00 H new ATOM 0 HD23 LEU A 102 107.629 5.282 16.009 1.00 0.00 H new ATOM 1623 N GLN A 103 108.308 7.268 11.503 1.00 0.00 N ATOM 1624 CA GLN A 103 107.819 8.335 10.579 1.00 0.00 C ATOM 1625 C GLN A 103 106.535 7.857 9.908 1.00 0.00 C ATOM 1626 O GLN A 103 105.588 8.600 9.741 1.00 0.00 O ATOM 1627 CB GLN A 103 108.922 8.567 9.559 1.00 0.00 C ATOM 1628 CG GLN A 103 110.127 9.208 10.242 1.00 0.00 C ATOM 1629 CD GLN A 103 109.721 10.568 10.808 1.00 0.00 C ATOM 1630 OE1 GLN A 103 109.200 11.403 10.097 1.00 0.00 O ATOM 1631 NE2 GLN A 103 109.937 10.827 12.069 1.00 0.00 N ATOM 0 H GLN A 103 109.125 6.745 11.186 1.00 0.00 H new ATOM 0 HA GLN A 103 107.595 9.265 11.102 1.00 0.00 H new ATOM 0 HB2 GLN A 103 109.212 7.621 9.101 1.00 0.00 H new ATOM 0 HB3 GLN A 103 108.560 9.212 8.758 1.00 0.00 H new ATOM 0 HG2 GLN A 103 110.493 8.563 11.041 1.00 0.00 H new ATOM 0 HG3 GLN A 103 110.943 9.327 9.529 1.00 0.00 H new ATOM 0 HE21 GLN A 103 110.375 10.125 12.666 1.00 0.00 H new ATOM 0 HE22 GLN A 103 109.668 11.731 12.457 1.00 0.00 H new ATOM 1640 N PHE A 104 106.495 6.609 9.535 1.00 0.00 N ATOM 1641 CA PHE A 104 105.270 6.071 8.889 1.00 0.00 C ATOM 1642 C PHE A 104 104.084 6.242 9.839 1.00 0.00 C ATOM 1643 O PHE A 104 102.998 6.604 9.433 1.00 0.00 O ATOM 1644 CB PHE A 104 105.555 4.587 8.639 1.00 0.00 C ATOM 1645 CG PHE A 104 106.002 4.394 7.209 1.00 0.00 C ATOM 1646 CD1 PHE A 104 107.234 4.896 6.779 1.00 0.00 C ATOM 1647 CD2 PHE A 104 105.172 3.713 6.309 1.00 0.00 C ATOM 1648 CE1 PHE A 104 107.638 4.715 5.452 1.00 0.00 C ATOM 1649 CE2 PHE A 104 105.575 3.531 4.980 1.00 0.00 C ATOM 1650 CZ PHE A 104 106.809 4.032 4.551 1.00 0.00 C ATOM 0 H PHE A 104 107.257 5.941 9.650 1.00 0.00 H new ATOM 0 HA PHE A 104 105.025 6.586 7.960 1.00 0.00 H new ATOM 0 HB2 PHE A 104 106.326 4.234 9.323 1.00 0.00 H new ATOM 0 HB3 PHE A 104 104.660 3.996 8.835 1.00 0.00 H new ATOM 0 HD1 PHE A 104 107.874 5.423 7.471 1.00 0.00 H new ATOM 0 HD2 PHE A 104 104.219 3.327 6.641 1.00 0.00 H new ATOM 0 HE1 PHE A 104 108.590 5.102 5.121 1.00 0.00 H new ATOM 0 HE2 PHE A 104 104.934 3.005 4.288 1.00 0.00 H new ATOM 0 HZ PHE A 104 107.123 3.893 3.527 1.00 0.00 H new ATOM 1660 N LYS A 105 104.289 5.993 11.105 1.00 0.00 N ATOM 1661 CA LYS A 105 103.178 6.153 12.086 1.00 0.00 C ATOM 1662 C LYS A 105 102.733 7.616 12.169 1.00 0.00 C ATOM 1663 O LYS A 105 101.569 7.901 12.375 1.00 0.00 O ATOM 1664 CB LYS A 105 103.729 5.677 13.431 1.00 0.00 C ATOM 1665 CG LYS A 105 103.759 4.146 13.458 1.00 0.00 C ATOM 1666 CD LYS A 105 104.330 3.666 14.795 1.00 0.00 C ATOM 1667 CE LYS A 105 104.254 2.139 14.870 1.00 0.00 C ATOM 1668 NZ LYS A 105 104.829 1.795 16.198 1.00 0.00 N1+ ATOM 0 H LYS A 105 105.177 5.686 11.501 1.00 0.00 H new ATOM 0 HA LYS A 105 102.302 5.576 11.790 1.00 0.00 H new ATOM 0 HB2 LYS A 105 104.732 6.074 13.586 1.00 0.00 H new ATOM 0 HB3 LYS A 105 103.108 6.054 14.244 1.00 0.00 H new ATOM 0 HG2 LYS A 105 102.753 3.750 13.318 1.00 0.00 H new ATOM 0 HG3 LYS A 105 104.367 3.770 12.635 1.00 0.00 H new ATOM 0 HD2 LYS A 105 105.364 3.994 14.898 1.00 0.00 H new ATOM 0 HD3 LYS A 105 103.771 4.109 15.620 1.00 0.00 H new ATOM 0 HE2 LYS A 105 103.225 1.789 14.782 1.00 0.00 H new ATOM 0 HE3 LYS A 105 104.819 1.675 14.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 104.813 0.763 16.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 105.810 2.135 16.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 104.266 2.246 16.947 1.00 0.00 H new ATOM 1682 N GLN A 106 103.633 8.554 11.993 1.00 0.00 N ATOM 1683 CA GLN A 106 103.228 9.991 12.045 1.00 0.00 C ATOM 1684 C GLN A 106 102.552 10.391 10.725 1.00 0.00 C ATOM 1685 O GLN A 106 101.821 11.360 10.666 1.00 0.00 O ATOM 1686 CB GLN A 106 104.544 10.756 12.244 1.00 0.00 C ATOM 1687 CG GLN A 106 105.102 10.463 13.643 1.00 0.00 C ATOM 1688 CD GLN A 106 106.449 11.171 13.826 1.00 0.00 C ATOM 1689 OE1 GLN A 106 106.924 11.837 12.928 1.00 0.00 O ATOM 1690 NE2 GLN A 106 107.082 11.065 14.965 1.00 0.00 N ATOM 0 H GLN A 106 104.624 8.387 11.817 1.00 0.00 H new ATOM 0 HA GLN A 106 102.513 10.202 12.840 1.00 0.00 H new ATOM 0 HB2 GLN A 106 105.267 10.460 11.484 1.00 0.00 H new ATOM 0 HB3 GLN A 106 104.376 11.826 12.125 1.00 0.00 H new ATOM 0 HG2 GLN A 106 104.398 10.801 14.403 1.00 0.00 H new ATOM 0 HG3 GLN A 106 105.225 9.388 13.777 1.00 0.00 H new ATOM 0 HE21 GLN A 106 106.684 10.506 15.720 1.00 0.00 H new ATOM 0 HE22 GLN A 106 107.974 11.541 15.099 1.00 0.00 H new ATOM 1699 N GLY A 107 102.767 9.644 9.671 1.00 0.00 N ATOM 1700 CA GLY A 107 102.108 9.981 8.372 1.00 0.00 C ATOM 1701 C GLY A 107 103.117 10.549 7.363 1.00 0.00 C ATOM 1702 O GLY A 107 102.749 10.933 6.270 1.00 0.00 O ATOM 0 H GLY A 107 103.367 8.819 9.653 1.00 0.00 H new ATOM 0 HA2 GLY A 107 101.640 9.088 7.957 1.00 0.00 H new ATOM 0 HA3 GLY A 107 101.314 10.708 8.543 1.00 0.00 H new ATOM 1706 N ASN A 108 104.380 10.608 7.700 1.00 0.00 N ATOM 1707 CA ASN A 108 105.375 11.150 6.722 1.00 0.00 C ATOM 1708 C ASN A 108 106.208 10.013 6.122 1.00 0.00 C ATOM 1709 O ASN A 108 107.244 9.639 6.637 1.00 0.00 O ATOM 1710 CB ASN A 108 106.261 12.115 7.510 1.00 0.00 C ATOM 1711 CG ASN A 108 105.482 13.397 7.812 1.00 0.00 C ATOM 1712 OD1 ASN A 108 104.555 13.739 7.106 1.00 0.00 O ATOM 1713 ND2 ASN A 108 105.820 14.124 8.842 1.00 0.00 N ATOM 0 H ASN A 108 104.763 10.309 8.597 1.00 0.00 H new ATOM 0 HA ASN A 108 104.884 11.656 5.891 1.00 0.00 H new ATOM 0 HB2 ASN A 108 106.587 11.648 8.439 1.00 0.00 H new ATOM 0 HB3 ASN A 108 107.159 12.349 6.938 1.00 0.00 H new ATOM 0 HD21 ASN A 108 105.306 14.979 9.054 1.00 0.00 H new ATOM 0 HD22 ASN A 108 106.599 13.837 9.435 1.00 0.00 H new ATOM 1720 N PHE A 109 105.748 9.472 5.029 1.00 0.00 N ATOM 1721 CA PHE A 109 106.477 8.363 4.355 1.00 0.00 C ATOM 1722 C PHE A 109 107.842 8.823 3.841 1.00 0.00 C ATOM 1723 O PHE A 109 108.814 8.096 3.910 1.00 0.00 O ATOM 1724 CB PHE A 109 105.605 7.993 3.151 1.00 0.00 C ATOM 1725 CG PHE A 109 104.222 7.535 3.572 1.00 0.00 C ATOM 1726 CD1 PHE A 109 104.008 6.886 4.800 1.00 0.00 C ATOM 1727 CD2 PHE A 109 103.143 7.767 2.711 1.00 0.00 C ATOM 1728 CE1 PHE A 109 102.718 6.470 5.155 1.00 0.00 C ATOM 1729 CE2 PHE A 109 101.859 7.351 3.065 1.00 0.00 C ATOM 1730 CZ PHE A 109 101.644 6.705 4.286 1.00 0.00 C ATOM 0 H PHE A 109 104.884 9.756 4.567 1.00 0.00 H new ATOM 0 HA PHE A 109 106.648 7.536 5.043 1.00 0.00 H new ATOM 0 HB2 PHE A 109 105.516 8.854 2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 109 106.091 7.202 2.580 1.00 0.00 H new ATOM 0 HD1 PHE A 109 104.837 6.708 5.469 1.00 0.00 H new ATOM 0 HD2 PHE A 109 103.305 8.270 1.769 1.00 0.00 H new ATOM 0 HE1 PHE A 109 102.552 5.969 6.097 1.00 0.00 H new ATOM 0 HE2 PHE A 109 101.031 7.528 2.395 1.00 0.00 H new ATOM 0 HZ PHE A 109 100.649 6.387 4.560 1.00 0.00 H new ATOM 1740 N LYS A 110 107.922 10.003 3.278 1.00 0.00 N ATOM 1741 CA LYS A 110 109.231 10.458 2.721 1.00 0.00 C ATOM 1742 C LYS A 110 110.286 10.584 3.816 1.00 0.00 C ATOM 1743 O LYS A 110 111.391 10.103 3.668 1.00 0.00 O ATOM 1744 CB LYS A 110 108.971 11.829 2.091 1.00 0.00 C ATOM 1745 CG LYS A 110 110.279 12.364 1.497 1.00 0.00 C ATOM 1746 CD LYS A 110 110.071 13.799 0.997 1.00 0.00 C ATOM 1747 CE LYS A 110 111.390 14.350 0.434 1.00 0.00 C ATOM 1748 NZ LYS A 110 111.115 15.773 0.041 1.00 0.00 N1+ ATOM 0 H LYS A 110 107.149 10.662 3.181 1.00 0.00 H new ATOM 0 HA LYS A 110 109.610 9.738 1.995 1.00 0.00 H new ATOM 0 HB2 LYS A 110 108.211 11.748 1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 110 108.588 12.521 2.841 1.00 0.00 H new ATOM 0 HG2 LYS A 110 111.067 12.342 2.249 1.00 0.00 H new ATOM 0 HG3 LYS A 110 110.604 11.726 0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 110 109.300 13.817 0.226 1.00 0.00 H new ATOM 0 HD3 LYS A 110 109.721 14.431 1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 110 112.183 14.298 1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 110 111.721 13.766 -0.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 111.582 15.979 -0.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 110.089 15.914 -0.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 111.483 16.413 0.774 1.00 0.00 H new ATOM 1762 N GLN A 111 109.973 11.246 4.897 1.00 0.00 N ATOM 1763 CA GLN A 111 110.996 11.410 5.966 1.00 0.00 C ATOM 1764 C GLN A 111 111.385 10.045 6.526 1.00 0.00 C ATOM 1765 O GLN A 111 112.542 9.780 6.782 1.00 0.00 O ATOM 1766 CB GLN A 111 110.350 12.283 7.040 1.00 0.00 C ATOM 1767 CG GLN A 111 111.366 12.538 8.154 1.00 0.00 C ATOM 1768 CD GLN A 111 110.792 13.548 9.148 1.00 0.00 C ATOM 1769 OE1 GLN A 111 109.771 14.155 8.894 1.00 0.00 O ATOM 1770 NE2 GLN A 111 111.420 13.768 10.270 1.00 0.00 N ATOM 0 H GLN A 111 109.066 11.674 5.084 1.00 0.00 H new ATOM 0 HA GLN A 111 111.909 11.872 5.590 1.00 0.00 H new ATOM 0 HB2 GLN A 111 110.020 13.228 6.608 1.00 0.00 H new ATOM 0 HB3 GLN A 111 109.465 11.790 7.443 1.00 0.00 H new ATOM 0 HG2 GLN A 111 111.604 11.605 8.664 1.00 0.00 H new ATOM 0 HG3 GLN A 111 112.297 12.916 7.732 1.00 0.00 H new ATOM 0 HE21 GLN A 111 112.277 13.258 10.483 1.00 0.00 H new ATOM 0 HE22 GLN A 111 111.054 14.450 10.934 1.00 0.00 H new ATOM 1779 N GLY A 112 110.437 9.172 6.714 1.00 0.00 N ATOM 1780 CA GLY A 112 110.774 7.827 7.248 1.00 0.00 C ATOM 1781 C GLY A 112 111.712 7.105 6.276 1.00 0.00 C ATOM 1782 O GLY A 112 112.726 6.561 6.665 1.00 0.00 O ATOM 0 H GLY A 112 109.448 9.331 6.522 1.00 0.00 H new ATOM 0 HA2 GLY A 112 111.249 7.922 8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 112 109.864 7.244 7.391 1.00 0.00 H new ATOM 1786 N LEU A 113 111.368 7.080 5.014 1.00 0.00 N ATOM 1787 CA LEU A 113 112.227 6.373 4.013 1.00 0.00 C ATOM 1788 C LEU A 113 113.596 7.041 3.868 1.00 0.00 C ATOM 1789 O LEU A 113 114.612 6.375 3.810 1.00 0.00 O ATOM 1790 CB LEU A 113 111.452 6.454 2.696 1.00 0.00 C ATOM 1791 CG LEU A 113 110.196 5.585 2.784 1.00 0.00 C ATOM 1792 CD1 LEU A 113 109.288 5.873 1.588 1.00 0.00 C ATOM 1793 CD2 LEU A 113 110.585 4.102 2.778 1.00 0.00 C ATOM 0 H LEU A 113 110.530 7.518 4.632 1.00 0.00 H new ATOM 0 HA LEU A 113 112.425 5.346 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 113 111.177 7.488 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 113 112.081 6.119 1.871 1.00 0.00 H new ATOM 0 HG LEU A 113 109.669 5.816 3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 113 108.394 5.253 1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 113 109.002 6.925 1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 113 109.820 5.647 0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 113 109.685 3.490 2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.119 3.870 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 113 111.228 3.891 3.632 1.00 0.00 H new ATOM 1805 N VAL A 114 113.645 8.346 3.800 1.00 0.00 N ATOM 1806 CA VAL A 114 114.965 9.017 3.650 1.00 0.00 C ATOM 1807 C VAL A 114 115.811 8.758 4.890 1.00 0.00 C ATOM 1808 O VAL A 114 116.967 8.408 4.804 1.00 0.00 O ATOM 1809 CB VAL A 114 114.640 10.508 3.510 1.00 0.00 C ATOM 1810 CG1 VAL A 114 115.935 11.328 3.482 1.00 0.00 C ATOM 1811 CG2 VAL A 114 113.858 10.729 2.216 1.00 0.00 C ATOM 0 H VAL A 114 112.837 8.968 3.841 1.00 0.00 H new ATOM 0 HA VAL A 114 115.531 8.651 2.793 1.00 0.00 H new ATOM 0 HB VAL A 114 114.040 10.831 4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.693 12.386 3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 114 116.487 11.168 4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 114 116.546 11.014 2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 114 113.623 11.788 2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.459 10.403 1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 114 112.933 10.153 2.247 1.00 0.00 H new ATOM 1821 N ASP A 115 115.235 8.922 6.046 1.00 0.00 N ATOM 1822 CA ASP A 115 115.999 8.695 7.302 1.00 0.00 C ATOM 1823 C ASP A 115 116.421 7.225 7.425 1.00 0.00 C ATOM 1824 O ASP A 115 117.522 6.923 7.841 1.00 0.00 O ATOM 1825 CB ASP A 115 115.017 9.067 8.411 1.00 0.00 C ATOM 1826 CG ASP A 115 115.058 10.579 8.662 1.00 0.00 C ATOM 1827 OD1 ASP A 115 115.955 11.229 8.147 1.00 0.00 O ATOM 1828 OD2 ASP A 115 114.182 11.064 9.358 1.00 0.00 O1- ATOM 0 H ASP A 115 114.264 9.205 6.176 1.00 0.00 H new ATOM 0 HA ASP A 115 116.918 9.281 7.342 1.00 0.00 H new ATOM 0 HB2 ASP A 115 114.008 8.764 8.132 1.00 0.00 H new ATOM 0 HB3 ASP A 115 115.269 8.531 9.326 1.00 0.00 H new ATOM 1833 N GLY A 116 115.554 6.307 7.086 1.00 0.00 N ATOM 1834 CA GLY A 116 115.915 4.864 7.209 1.00 0.00 C ATOM 1835 C GLY A 116 117.168 4.568 6.387 1.00 0.00 C ATOM 1836 O GLY A 116 118.071 3.899 6.846 1.00 0.00 O ATOM 0 H GLY A 116 114.616 6.493 6.731 1.00 0.00 H new ATOM 0 HA2 GLY A 116 116.088 4.612 8.255 1.00 0.00 H new ATOM 0 HA3 GLY A 116 115.088 4.243 6.864 1.00 0.00 H new ATOM 1840 N ILE A 117 117.240 5.060 5.180 1.00 0.00 N ATOM 1841 CA ILE A 117 118.452 4.794 4.352 1.00 0.00 C ATOM 1842 C ILE A 117 119.682 5.460 4.984 1.00 0.00 C ATOM 1843 O ILE A 117 120.740 4.871 5.061 1.00 0.00 O ATOM 1844 CB ILE A 117 118.143 5.382 2.971 1.00 0.00 C ATOM 1845 CG1 ILE A 117 117.038 4.555 2.311 1.00 0.00 C ATOM 1846 CG2 ILE A 117 119.396 5.332 2.090 1.00 0.00 C ATOM 1847 CD1 ILE A 117 116.532 5.278 1.062 1.00 0.00 C ATOM 0 H ILE A 117 116.520 5.629 4.734 1.00 0.00 H new ATOM 0 HA ILE A 117 118.679 3.730 4.282 1.00 0.00 H new ATOM 0 HB ILE A 117 117.822 6.417 3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 117 117.418 3.569 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 117 116.217 4.401 3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 117 119.169 5.752 1.110 1.00 0.00 H new ATOM 0 HG22 ILE A 117 120.192 5.911 2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 117 119.719 4.297 1.976 1.00 0.00 H new ATOM 0 HD11 ILE A 117 115.745 4.687 0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 117 116.135 6.254 1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 117 117.355 5.409 0.359 1.00 0.00 H new ATOM 1859 N GLU A 118 119.558 6.682 5.439 1.00 0.00 N ATOM 1860 CA GLU A 118 120.741 7.359 6.054 1.00 0.00 C ATOM 1861 C GLU A 118 121.292 6.501 7.186 1.00 0.00 C ATOM 1862 O GLU A 118 122.468 6.204 7.242 1.00 0.00 O ATOM 1863 CB GLU A 118 120.228 8.688 6.607 1.00 0.00 C ATOM 1864 CG GLU A 118 119.784 9.581 5.452 1.00 0.00 C ATOM 1865 CD GLU A 118 120.981 9.893 4.556 1.00 0.00 C ATOM 1866 OE1 GLU A 118 122.099 9.786 5.032 1.00 0.00 O ATOM 1867 OE2 GLU A 118 120.759 10.211 3.401 1.00 0.00 O1- ATOM 0 H GLU A 118 118.701 7.234 5.412 1.00 0.00 H new ATOM 0 HA GLU A 118 121.541 7.512 5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 118 119.394 8.514 7.287 1.00 0.00 H new ATOM 0 HB3 GLU A 118 121.011 9.182 7.182 1.00 0.00 H new ATOM 0 HG2 GLU A 118 119.004 9.085 4.874 1.00 0.00 H new ATOM 0 HG3 GLU A 118 119.355 10.506 5.838 1.00 0.00 H new ATOM 1874 N LYS A 119 120.447 6.091 8.088 1.00 0.00 N ATOM 1875 CA LYS A 119 120.926 5.243 9.208 1.00 0.00 C ATOM 1876 C LYS A 119 121.478 3.930 8.642 1.00 0.00 C ATOM 1877 O LYS A 119 122.524 3.463 9.045 1.00 0.00 O ATOM 1878 CB LYS A 119 119.701 5.004 10.094 1.00 0.00 C ATOM 1879 CG LYS A 119 119.273 6.324 10.747 1.00 0.00 C ATOM 1880 CD LYS A 119 118.092 6.071 11.689 1.00 0.00 C ATOM 1881 CE LYS A 119 117.659 7.394 12.335 1.00 0.00 C ATOM 1882 NZ LYS A 119 116.519 7.055 13.246 1.00 0.00 N1+ ATOM 0 H LYS A 119 119.450 6.306 8.097 1.00 0.00 H new ATOM 0 HA LYS A 119 121.728 5.707 9.781 1.00 0.00 H new ATOM 0 HB2 LYS A 119 118.883 4.599 9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 119 119.933 4.265 10.861 1.00 0.00 H new ATOM 0 HG2 LYS A 119 120.107 6.755 11.301 1.00 0.00 H new ATOM 0 HG3 LYS A 119 118.992 7.046 9.981 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.260 5.634 11.137 1.00 0.00 H new ATOM 0 HD3 LYS A 119 118.375 5.353 12.459 1.00 0.00 H new ATOM 0 HE2 LYS A 119 118.482 7.845 12.890 1.00 0.00 H new ATOM 0 HE3 LYS A 119 117.352 8.116 11.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 116.412 7.802 13.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 115.642 6.979 12.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 116.710 6.148 13.718 1.00 0.00 H new ATOM 1896 N ALA A 120 120.803 3.351 7.685 1.00 0.00 N ATOM 1897 CA ALA A 120 121.313 2.091 7.067 1.00 0.00 C ATOM 1898 C ALA A 120 122.706 2.318 6.482 1.00 0.00 C ATOM 1899 O ALA A 120 123.590 1.496 6.617 1.00 0.00 O ATOM 1900 CB ALA A 120 120.320 1.766 5.948 1.00 0.00 C ATOM 0 H ALA A 120 119.921 3.695 7.304 1.00 0.00 H new ATOM 0 HA ALA A 120 121.394 1.282 7.793 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.627 0.850 5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 120 119.325 1.631 6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 120 120.300 2.586 5.230 1.00 0.00 H new ATOM 1906 N GLY A 121 122.910 3.425 5.823 1.00 0.00 N ATOM 1907 CA GLY A 121 124.240 3.700 5.218 1.00 0.00 C ATOM 1908 C GLY A 121 125.306 3.818 6.308 1.00 0.00 C ATOM 1909 O GLY A 121 126.380 3.273 6.185 1.00 0.00 O ATOM 0 H GLY A 121 122.210 4.152 5.678 1.00 0.00 H new ATOM 0 HA2 GLY A 121 124.505 2.900 4.526 1.00 0.00 H new ATOM 0 HA3 GLY A 121 124.200 4.622 4.638 1.00 0.00 H new ATOM 1913 N MET A 122 125.022 4.515 7.379 1.00 0.00 N ATOM 1914 CA MET A 122 126.045 4.643 8.461 1.00 0.00 C ATOM 1915 C MET A 122 126.270 3.282 9.126 1.00 0.00 C ATOM 1916 O MET A 122 127.391 2.850 9.334 1.00 0.00 O ATOM 1917 CB MET A 122 125.460 5.646 9.458 1.00 0.00 C ATOM 1918 CG MET A 122 126.484 5.910 10.566 1.00 0.00 C ATOM 1919 SD MET A 122 125.835 7.155 11.711 1.00 0.00 S ATOM 1920 CE MET A 122 126.999 8.479 11.299 1.00 0.00 C ATOM 0 H MET A 122 124.138 4.995 7.550 1.00 0.00 H new ATOM 0 HA MET A 122 127.010 4.978 8.081 1.00 0.00 H new ATOM 0 HB2 MET A 122 125.208 6.577 8.950 1.00 0.00 H new ATOM 0 HB3 MET A 122 124.536 5.256 9.885 1.00 0.00 H new ATOM 0 HG2 MET A 122 126.701 4.986 11.102 1.00 0.00 H new ATOM 0 HG3 MET A 122 127.423 6.255 10.133 1.00 0.00 H new ATOM 0 HE1 MET A 122 126.776 9.360 11.901 1.00 0.00 H new ATOM 0 HE2 MET A 122 128.016 8.146 11.505 1.00 0.00 H new ATOM 0 HE3 MET A 122 126.906 8.729 10.242 1.00 0.00 H new ATOM 1930 N ALA A 123 125.208 2.594 9.450 1.00 0.00 N ATOM 1931 CA ALA A 123 125.355 1.259 10.091 1.00 0.00 C ATOM 1932 C ALA A 123 126.087 0.317 9.131 1.00 0.00 C ATOM 1933 O ALA A 123 127.021 -0.366 9.504 1.00 0.00 O ATOM 1934 CB ALA A 123 123.920 0.802 10.357 1.00 0.00 C ATOM 0 H ALA A 123 124.247 2.900 9.298 1.00 0.00 H new ATOM 0 HA ALA A 123 125.938 1.277 11.012 1.00 0.00 H new ATOM 0 HB1 ALA A 123 123.933 -0.179 10.831 1.00 0.00 H new ATOM 0 HB2 ALA A 123 123.427 1.517 11.016 1.00 0.00 H new ATOM 0 HB3 ALA A 123 123.376 0.742 9.414 1.00 0.00 H new ATOM 1940 N LEU A 124 125.688 0.303 7.891 1.00 0.00 N ATOM 1941 CA LEU A 124 126.376 -0.561 6.892 1.00 0.00 C ATOM 1942 C LEU A 124 127.831 -0.105 6.760 1.00 0.00 C ATOM 1943 O LEU A 124 128.729 -0.910 6.640 1.00 0.00 O ATOM 1944 CB LEU A 124 125.622 -0.328 5.586 1.00 0.00 C ATOM 1945 CG LEU A 124 124.223 -0.941 5.674 1.00 0.00 C ATOM 1946 CD1 LEU A 124 123.374 -0.390 4.531 1.00 0.00 C ATOM 1947 CD2 LEU A 124 124.310 -2.464 5.544 1.00 0.00 C ATOM 0 H LEU A 124 124.912 0.855 7.525 1.00 0.00 H new ATOM 0 HA LEU A 124 126.382 -1.615 7.169 1.00 0.00 H new ATOM 0 HB2 LEU A 124 125.548 0.741 5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 124 126.171 -0.771 4.755 1.00 0.00 H new ATOM 0 HG LEU A 124 123.775 -0.689 6.635 1.00 0.00 H new ATOM 0 HD11 LEU A 124 122.373 -0.819 4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 124 123.309 0.695 4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 124 123.833 -0.652 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 124 123.310 -2.892 5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 124 124.755 -2.722 4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 124 124.928 -2.863 6.349 1.00 0.00 H new ATOM 1959 N ALA A 125 128.069 1.184 6.761 1.00 0.00 N ATOM 1960 CA ALA A 125 129.468 1.679 6.614 1.00 0.00 C ATOM 1961 C ALA A 125 130.373 1.031 7.661 1.00 0.00 C ATOM 1962 O ALA A 125 131.527 0.749 7.402 1.00 0.00 O ATOM 1963 CB ALA A 125 129.398 3.192 6.829 1.00 0.00 C ATOM 0 H ALA A 125 127.358 1.909 6.857 1.00 0.00 H new ATOM 0 HA ALA A 125 129.882 1.433 5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 125 130.396 3.620 6.734 1.00 0.00 H new ATOM 0 HB2 ALA A 125 128.741 3.636 6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 125 129.007 3.400 7.825 1.00 0.00 H new ATOM 1969 N LYS A 126 129.863 0.770 8.837 1.00 0.00 N ATOM 1970 CA LYS A 126 130.710 0.118 9.877 1.00 0.00 C ATOM 1971 C LYS A 126 131.162 -1.250 9.368 1.00 0.00 C ATOM 1972 O LYS A 126 132.310 -1.630 9.497 1.00 0.00 O ATOM 1973 CB LYS A 126 129.791 -0.053 11.088 1.00 0.00 C ATOM 1974 CG LYS A 126 129.466 1.311 11.696 1.00 0.00 C ATOM 1975 CD LYS A 126 128.486 1.124 12.855 1.00 0.00 C ATOM 1976 CE LYS A 126 128.182 2.480 13.492 1.00 0.00 C ATOM 1977 NZ LYS A 126 127.230 2.185 14.599 1.00 0.00 N1+ ATOM 0 H LYS A 126 128.905 0.978 9.120 1.00 0.00 H new ATOM 0 HA LYS A 126 131.600 0.699 10.120 1.00 0.00 H new ATOM 0 HB2 LYS A 126 128.871 -0.555 10.788 1.00 0.00 H new ATOM 0 HB3 LYS A 126 130.272 -0.687 11.833 1.00 0.00 H new ATOM 0 HG2 LYS A 126 130.378 1.792 12.049 1.00 0.00 H new ATOM 0 HG3 LYS A 126 129.033 1.966 10.940 1.00 0.00 H new ATOM 0 HD2 LYS A 126 127.565 0.665 12.496 1.00 0.00 H new ATOM 0 HD3 LYS A 126 128.910 0.449 13.598 1.00 0.00 H new ATOM 0 HE2 LYS A 126 129.090 2.951 13.868 1.00 0.00 H new ATOM 0 HE3 LYS A 126 127.744 3.166 12.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 126.976 3.070 15.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 126.372 1.744 14.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 127.677 1.535 15.277 1.00 0.00 H new ATOM 1991 N TYR A 127 130.265 -1.980 8.765 1.00 0.00 N ATOM 1992 CA TYR A 127 130.634 -3.316 8.219 1.00 0.00 C ATOM 1993 C TYR A 127 131.427 -3.141 6.928 1.00 0.00 C ATOM 1994 O TYR A 127 132.361 -3.865 6.652 1.00 0.00 O ATOM 1995 CB TYR A 127 129.313 -4.028 7.937 1.00 0.00 C ATOM 1996 CG TYR A 127 128.652 -4.392 9.241 1.00 0.00 C ATOM 1997 CD1 TYR A 127 127.850 -3.457 9.901 1.00 0.00 C ATOM 1998 CD2 TYR A 127 128.846 -5.664 9.793 1.00 0.00 C ATOM 1999 CE1 TYR A 127 127.242 -3.794 11.114 1.00 0.00 C ATOM 2000 CE2 TYR A 127 128.236 -6.001 11.006 1.00 0.00 C ATOM 2001 CZ TYR A 127 127.432 -5.065 11.666 1.00 0.00 C ATOM 2002 OH TYR A 127 126.829 -5.393 12.863 1.00 0.00 O ATOM 0 H TYR A 127 129.292 -1.709 8.627 1.00 0.00 H new ATOM 0 HA TYR A 127 131.253 -3.885 8.913 1.00 0.00 H new ATOM 0 HB2 TYR A 127 128.657 -3.383 7.352 1.00 0.00 H new ATOM 0 HB3 TYR A 127 129.490 -4.925 7.344 1.00 0.00 H new ATOM 0 HD1 TYR A 127 127.700 -2.476 9.475 1.00 0.00 H new ATOM 0 HD2 TYR A 127 129.467 -6.385 9.282 1.00 0.00 H new ATOM 0 HE1 TYR A 127 126.624 -3.071 11.626 1.00 0.00 H new ATOM 0 HE2 TYR A 127 128.385 -6.982 11.432 1.00 0.00 H new ATOM 0 HH TYR A 127 127.062 -6.313 13.105 1.00 0.00 H new ATOM 2012 N PHE A 128 131.056 -2.168 6.139 1.00 0.00 N ATOM 2013 CA PHE A 128 131.775 -1.922 4.863 1.00 0.00 C ATOM 2014 C PHE A 128 132.184 -0.447 4.770 1.00 0.00 C ATOM 2015 O PHE A 128 131.404 0.383 4.348 1.00 0.00 O ATOM 2016 CB PHE A 128 130.773 -2.264 3.765 1.00 0.00 C ATOM 2017 CG PHE A 128 130.589 -3.758 3.695 1.00 0.00 C ATOM 2018 CD1 PHE A 128 131.687 -4.599 3.457 1.00 0.00 C ATOM 2019 CD2 PHE A 128 129.314 -4.304 3.866 1.00 0.00 C ATOM 2020 CE1 PHE A 128 131.502 -5.986 3.393 1.00 0.00 C ATOM 2021 CE2 PHE A 128 129.131 -5.689 3.803 1.00 0.00 C ATOM 2022 CZ PHE A 128 130.224 -6.531 3.565 1.00 0.00 C ATOM 0 H PHE A 128 130.281 -1.532 6.328 1.00 0.00 H new ATOM 0 HA PHE A 128 132.685 -2.517 4.781 1.00 0.00 H new ATOM 0 HB2 PHE A 128 129.818 -1.779 3.967 1.00 0.00 H new ATOM 0 HB3 PHE A 128 131.126 -1.886 2.806 1.00 0.00 H new ATOM 0 HD1 PHE A 128 132.672 -4.178 3.323 1.00 0.00 H new ATOM 0 HD2 PHE A 128 128.469 -3.656 4.047 1.00 0.00 H new ATOM 0 HE1 PHE A 128 132.346 -6.635 3.211 1.00 0.00 H new ATOM 0 HE2 PHE A 128 128.145 -6.110 3.938 1.00 0.00 H new ATOM 0 HZ PHE A 128 130.081 -7.600 3.514 1.00 0.00 H new ATOM 2032 N PRO A 129 133.414 -0.165 5.149 1.00 0.00 N ATOM 2033 CA PRO A 129 133.928 1.224 5.080 1.00 0.00 C ATOM 2034 C PRO A 129 134.043 1.662 3.621 1.00 0.00 C ATOM 2035 O PRO A 129 134.295 0.865 2.740 1.00 0.00 O ATOM 2036 CB PRO A 129 135.302 1.134 5.745 1.00 0.00 C ATOM 2037 CG PRO A 129 135.707 -0.295 5.593 1.00 0.00 C ATOM 2038 CD PRO A 129 134.438 -1.095 5.662 1.00 0.00 C ATOM 0 HA PRO A 129 133.282 1.954 5.568 1.00 0.00 H new ATOM 0 HB2 PRO A 129 136.018 1.801 5.265 1.00 0.00 H new ATOM 0 HB3 PRO A 129 135.253 1.422 6.795 1.00 0.00 H new ATOM 0 HG2 PRO A 129 136.219 -0.457 4.644 1.00 0.00 H new ATOM 0 HG3 PRO A 129 136.398 -0.591 6.382 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.500 -1.998 5.055 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.218 -1.411 6.682 1.00 0.00 H new ATOM 2046 N TRP A 130 133.854 2.926 3.359 1.00 0.00 N ATOM 2047 CA TRP A 130 133.941 3.418 1.956 1.00 0.00 C ATOM 2048 C TRP A 130 135.395 3.510 1.503 1.00 0.00 C ATOM 2049 O TRP A 130 136.252 3.991 2.218 1.00 0.00 O ATOM 2050 CB TRP A 130 133.330 4.817 1.998 1.00 0.00 C ATOM 2051 CG TRP A 130 133.239 5.359 0.608 1.00 0.00 C ATOM 2052 CD1 TRP A 130 132.307 4.998 -0.303 1.00 0.00 C ATOM 2053 CD2 TRP A 130 134.081 6.356 -0.038 1.00 0.00 C ATOM 2054 NE1 TRP A 130 132.526 5.706 -1.470 1.00 0.00 N ATOM 2055 CE2 TRP A 130 133.607 6.559 -1.356 1.00 0.00 C ATOM 2056 CE3 TRP A 130 135.199 7.096 0.387 1.00 0.00 C ATOM 2057 CZ2 TRP A 130 134.221 7.464 -2.222 1.00 0.00 C ATOM 2058 CZ3 TRP A 130 135.820 8.008 -0.481 1.00 0.00 C ATOM 2059 CH2 TRP A 130 135.331 8.193 -1.783 1.00 0.00 C ATOM 0 H TRP A 130 133.643 3.640 4.057 1.00 0.00 H new ATOM 0 HA TRP A 130 133.430 2.751 1.261 1.00 0.00 H new ATOM 0 HB2 TRP A 130 132.340 4.780 2.452 1.00 0.00 H new ATOM 0 HB3 TRP A 130 133.940 5.474 2.618 1.00 0.00 H new ATOM 0 HD1 TRP A 130 131.520 4.275 -0.145 1.00 0.00 H new ATOM 0 HE1 TRP A 130 131.959 5.610 -2.312 1.00 0.00 H new ATOM 0 HE3 TRP A 130 135.582 6.962 1.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 133.842 7.601 -3.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 136.679 8.570 -0.145 1.00 0.00 H new ATOM 0 HH2 TRP A 130 135.811 8.898 -2.446 1.00 0.00 H new ATOM 2070 N LYS A 131 135.676 3.075 0.310 1.00 0.00 N ATOM 2071 CA LYS A 131 137.065 3.166 -0.204 1.00 0.00 C ATOM 2072 C LYS A 131 137.093 4.114 -1.403 1.00 0.00 C ATOM 2073 O LYS A 131 136.109 4.286 -2.086 1.00 0.00 O ATOM 2074 CB LYS A 131 137.447 1.742 -0.602 1.00 0.00 C ATOM 2075 CG LYS A 131 137.495 0.880 0.656 1.00 0.00 C ATOM 2076 CD LYS A 131 137.875 -0.554 0.294 1.00 0.00 C ATOM 2077 CE LYS A 131 137.938 -1.382 1.574 1.00 0.00 C ATOM 2078 NZ LYS A 131 138.279 -2.760 1.127 1.00 0.00 N1+ ATOM 0 H LYS A 131 135.001 2.659 -0.332 1.00 0.00 H new ATOM 0 HA LYS A 131 137.767 3.559 0.531 1.00 0.00 H new ATOM 0 HB2 LYS A 131 136.721 1.339 -1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 131 138.416 1.736 -1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 131 138.219 1.290 1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 131 136.525 0.893 1.153 1.00 0.00 H new ATOM 0 HD2 LYS A 131 137.143 -0.977 -0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 131 138.838 -0.572 -0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 131 138.691 -0.992 2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 131 136.985 -1.363 2.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 138.340 -3.388 1.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 137.542 -3.108 0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 139.194 -2.748 0.633 1.00 0.00 H new ATOM 2092 N LYS A 132 138.192 4.770 -1.635 1.00 0.00 N ATOM 2093 CA LYS A 132 138.239 5.748 -2.761 1.00 0.00 C ATOM 2094 C LYS A 132 137.926 5.072 -4.092 1.00 0.00 C ATOM 2095 O LYS A 132 137.401 5.694 -4.995 1.00 0.00 O ATOM 2096 CB LYS A 132 139.649 6.316 -2.755 1.00 0.00 C ATOM 2097 CG LYS A 132 139.864 7.097 -1.463 1.00 0.00 C ATOM 2098 CD LYS A 132 141.230 7.770 -1.505 1.00 0.00 C ATOM 2099 CE LYS A 132 141.461 8.534 -0.205 1.00 0.00 C ATOM 2100 NZ LYS A 132 142.806 9.144 -0.370 1.00 0.00 N1+ ATOM 0 H LYS A 132 139.055 4.675 -1.100 1.00 0.00 H new ATOM 0 HA LYS A 132 137.492 6.532 -2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 132 140.380 5.511 -2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 132 139.797 6.966 -3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 132 139.081 7.845 -1.342 1.00 0.00 H new ATOM 0 HG3 LYS A 132 139.801 6.428 -0.605 1.00 0.00 H new ATOM 0 HD2 LYS A 132 142.011 7.023 -1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 132 141.286 8.451 -2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 132 140.696 9.295 -0.050 1.00 0.00 H new ATOM 0 HE3 LYS A 132 141.429 7.869 0.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 143.046 9.690 0.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 143.512 8.394 -0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 142.802 9.775 -1.196 1.00 0.00 H new ATOM 2114 N ASP A 133 138.237 3.812 -4.230 1.00 0.00 N ATOM 2115 CA ASP A 133 137.932 3.130 -5.521 1.00 0.00 C ATOM 2116 C ASP A 133 136.534 2.480 -5.489 1.00 0.00 C ATOM 2117 O ASP A 133 136.160 1.751 -6.387 1.00 0.00 O ATOM 2118 CB ASP A 133 139.043 2.097 -5.712 1.00 0.00 C ATOM 2119 CG ASP A 133 140.377 2.819 -5.949 1.00 0.00 C ATOM 2120 OD1 ASP A 133 140.349 4.002 -6.255 1.00 0.00 O ATOM 2121 OD2 ASP A 133 141.405 2.174 -5.822 1.00 0.00 O1- ATOM 0 H ASP A 133 138.682 3.233 -3.518 1.00 0.00 H new ATOM 0 HA ASP A 133 137.905 3.831 -6.355 1.00 0.00 H new ATOM 0 HB2 ASP A 133 139.115 1.457 -4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 133 138.812 1.450 -6.558 1.00 0.00 H new ATOM 2126 N ASP A 134 135.758 2.742 -4.451 1.00 0.00 N ATOM 2127 CA ASP A 134 134.386 2.158 -4.334 1.00 0.00 C ATOM 2128 C ASP A 134 133.632 2.216 -5.663 1.00 0.00 C ATOM 2129 O ASP A 134 133.704 3.183 -6.400 1.00 0.00 O ATOM 2130 CB ASP A 134 133.688 3.052 -3.311 1.00 0.00 C ATOM 2131 CG ASP A 134 132.349 2.441 -2.912 1.00 0.00 C ATOM 2132 OD1 ASP A 134 131.750 1.774 -3.741 1.00 0.00 O ATOM 2133 OD2 ASP A 134 131.951 2.639 -1.779 1.00 0.00 O1- ATOM 0 H ASP A 134 136.028 3.345 -3.674 1.00 0.00 H new ATOM 0 HA ASP A 134 134.420 1.107 -4.046 1.00 0.00 H new ATOM 0 HB2 ASP A 134 134.319 3.172 -2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 134 133.533 4.046 -3.730 1.00 0.00 H new ATOM 2138 N ILE A 135 132.931 1.166 -5.967 1.00 0.00 N ATOM 2139 CA ILE A 135 132.165 1.104 -7.252 1.00 0.00 C ATOM 2140 C ILE A 135 130.647 1.097 -7.003 1.00 0.00 C ATOM 2141 O ILE A 135 130.161 0.550 -6.032 1.00 0.00 O ATOM 2142 CB ILE A 135 132.620 -0.201 -7.978 1.00 0.00 C ATOM 2143 CG1 ILE A 135 132.875 -1.380 -6.996 1.00 0.00 C ATOM 2144 CG2 ILE A 135 133.917 0.088 -8.734 1.00 0.00 C ATOM 2145 CD1 ILE A 135 131.627 -1.666 -6.154 1.00 0.00 C ATOM 0 H ILE A 135 132.851 0.336 -5.379 1.00 0.00 H new ATOM 0 HA ILE A 135 132.367 1.984 -7.863 1.00 0.00 H new ATOM 0 HB ILE A 135 131.815 -0.499 -8.650 1.00 0.00 H new ATOM 0 HG12 ILE A 135 133.153 -2.272 -7.557 1.00 0.00 H new ATOM 0 HG13 ILE A 135 133.713 -1.140 -6.342 1.00 0.00 H new ATOM 0 HG21 ILE A 135 134.248 -0.815 -9.247 1.00 0.00 H new ATOM 0 HG22 ILE A 135 133.744 0.878 -9.465 1.00 0.00 H new ATOM 0 HG23 ILE A 135 134.685 0.408 -8.030 1.00 0.00 H new ATOM 0 HD11 ILE A 135 131.828 -2.494 -5.475 1.00 0.00 H new ATOM 0 HD12 ILE A 135 131.366 -0.779 -5.577 1.00 0.00 H new ATOM 0 HD13 ILE A 135 130.798 -1.929 -6.811 1.00 0.00 H new ATOM 2157 N ASP A 136 129.888 1.729 -7.864 1.00 0.00 N ATOM 2158 CA ASP A 136 128.412 1.762 -7.661 1.00 0.00 C ATOM 2159 C ASP A 136 127.737 0.708 -8.545 1.00 0.00 C ATOM 2160 O ASP A 136 127.432 0.935 -9.700 1.00 0.00 O ATOM 2161 CB ASP A 136 127.988 3.174 -8.066 1.00 0.00 C ATOM 2162 CG ASP A 136 126.539 3.429 -7.637 1.00 0.00 C ATOM 2163 OD1 ASP A 136 125.880 2.489 -7.219 1.00 0.00 O ATOM 2164 OD2 ASP A 136 126.115 4.571 -7.719 1.00 0.00 O1- ATOM 0 H ASP A 136 130.226 2.219 -8.692 1.00 0.00 H new ATOM 0 HA ASP A 136 128.126 1.538 -6.634 1.00 0.00 H new ATOM 0 HB2 ASP A 136 128.648 3.908 -7.603 1.00 0.00 H new ATOM 0 HB3 ASP A 136 128.083 3.296 -9.145 1.00 0.00 H new ATOM 2169 N GLU A 137 127.535 -0.458 -7.998 1.00 0.00 N ATOM 2170 CA GLU A 137 126.914 -1.578 -8.768 1.00 0.00 C ATOM 2171 C GLU A 137 125.431 -1.335 -9.073 1.00 0.00 C ATOM 2172 O GLU A 137 124.954 -1.666 -10.139 1.00 0.00 O ATOM 2173 CB GLU A 137 127.064 -2.789 -7.845 1.00 0.00 C ATOM 2174 CG GLU A 137 128.547 -3.145 -7.722 1.00 0.00 C ATOM 2175 CD GLU A 137 128.735 -4.312 -6.746 1.00 0.00 C ATOM 2176 OE1 GLU A 137 127.742 -4.822 -6.250 1.00 0.00 O ATOM 2177 OE2 GLU A 137 129.875 -4.676 -6.513 1.00 0.00 O1- ATOM 0 H GLU A 137 127.777 -0.688 -7.034 1.00 0.00 H new ATOM 0 HA GLU A 137 127.393 -1.701 -9.739 1.00 0.00 H new ATOM 0 HB2 GLU A 137 126.648 -2.566 -6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 137 126.506 -3.636 -8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 137 128.946 -3.412 -8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 137 129.109 -2.278 -7.375 1.00 0.00 H new ATOM 2184 N LEU A 138 124.691 -0.794 -8.144 1.00 0.00 N ATOM 2185 CA LEU A 138 123.231 -0.581 -8.393 1.00 0.00 C ATOM 2186 C LEU A 138 122.889 0.910 -8.581 1.00 0.00 C ATOM 2187 O LEU A 138 123.529 1.765 -8.004 1.00 0.00 O ATOM 2188 CB LEU A 138 122.549 -1.114 -7.131 1.00 0.00 C ATOM 2189 CG LEU A 138 121.385 -2.035 -7.520 1.00 0.00 C ATOM 2190 CD1 LEU A 138 121.606 -3.418 -6.912 1.00 0.00 C ATOM 2191 CD2 LEU A 138 120.072 -1.445 -6.990 1.00 0.00 C ATOM 0 H LEU A 138 125.028 -0.492 -7.230 1.00 0.00 H new ATOM 0 HA LEU A 138 122.907 -1.082 -9.306 1.00 0.00 H new ATOM 0 HB2 LEU A 138 123.268 -1.660 -6.520 1.00 0.00 H new ATOM 0 HB3 LEU A 138 122.182 -0.284 -6.527 1.00 0.00 H new ATOM 0 HG LEU A 138 121.333 -2.121 -8.605 1.00 0.00 H new ATOM 0 HD11 LEU A 138 120.780 -4.073 -7.188 1.00 0.00 H new ATOM 0 HD12 LEU A 138 122.540 -3.835 -7.287 1.00 0.00 H new ATOM 0 HD13 LEU A 138 121.656 -3.334 -5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 138 119.243 -2.097 -7.265 1.00 0.00 H new ATOM 0 HD22 LEU A 138 120.123 -1.361 -5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 138 119.916 -0.457 -7.424 1.00 0.00 H new ATOM 2203 N PRO A 139 121.852 1.174 -9.360 1.00 0.00 N ATOM 2204 CA PRO A 139 121.400 2.572 -9.581 1.00 0.00 C ATOM 2205 C PRO A 139 120.738 3.102 -8.304 1.00 0.00 C ATOM 2206 O PRO A 139 120.654 2.403 -7.313 1.00 0.00 O ATOM 2207 CB PRO A 139 120.390 2.451 -10.724 1.00 0.00 C ATOM 2208 CG PRO A 139 119.900 1.041 -10.666 1.00 0.00 C ATOM 2209 CD PRO A 139 121.015 0.210 -10.097 1.00 0.00 C ATOM 0 HA PRO A 139 122.208 3.263 -9.822 1.00 0.00 H new ATOM 0 HB2 PRO A 139 119.570 3.158 -10.601 1.00 0.00 H new ATOM 0 HB3 PRO A 139 120.856 2.667 -11.686 1.00 0.00 H new ATOM 0 HG2 PRO A 139 119.009 0.968 -10.043 1.00 0.00 H new ATOM 0 HG3 PRO A 139 119.624 0.688 -11.660 1.00 0.00 H new ATOM 0 HD2 PRO A 139 120.633 -0.570 -9.438 1.00 0.00 H new ATOM 0 HD3 PRO A 139 121.581 -0.287 -10.884 1.00 0.00 H new ATOM 2217 N ASN A 140 120.257 4.318 -8.300 1.00 0.00 N ATOM 2218 CA ASN A 140 119.592 4.850 -7.073 1.00 0.00 C ATOM 2219 C ASN A 140 118.129 5.221 -7.372 1.00 0.00 C ATOM 2220 O ASN A 140 117.434 5.745 -6.523 1.00 0.00 O ATOM 2221 CB ASN A 140 120.384 6.108 -6.715 1.00 0.00 C ATOM 2222 CG ASN A 140 121.849 5.753 -6.437 1.00 0.00 C ATOM 2223 OD1 ASN A 140 122.743 6.495 -6.790 1.00 0.00 O ATOM 2224 ND2 ASN A 140 122.143 4.645 -5.811 1.00 0.00 N ATOM 0 H ASN A 140 120.295 4.963 -9.089 1.00 0.00 H new ATOM 0 HA ASN A 140 119.579 4.119 -6.265 1.00 0.00 H new ATOM 0 HB2 ASN A 140 120.326 6.827 -7.532 1.00 0.00 H new ATOM 0 HB3 ASN A 140 119.946 6.585 -5.838 1.00 0.00 H new ATOM 0 HD21 ASN A 140 123.117 4.409 -5.622 1.00 0.00 H new ATOM 0 HD22 ASN A 140 121.398 4.016 -5.511 1.00 0.00 H new ATOM 2231 N THR A 141 117.656 4.977 -8.572 1.00 0.00 N ATOM 2232 CA THR A 141 116.253 5.340 -8.911 1.00 0.00 C ATOM 2233 C THR A 141 115.269 4.541 -8.061 1.00 0.00 C ATOM 2234 O THR A 141 115.630 3.599 -7.383 1.00 0.00 O ATOM 2235 CB THR A 141 116.104 4.974 -10.387 1.00 0.00 C ATOM 2236 OG1 THR A 141 116.293 3.577 -10.548 1.00 0.00 O ATOM 2237 CG2 THR A 141 117.147 5.733 -11.211 1.00 0.00 C ATOM 0 H THR A 141 118.185 4.542 -9.328 1.00 0.00 H new ATOM 0 HA THR A 141 116.043 6.393 -8.722 1.00 0.00 H new ATOM 0 HB THR A 141 115.106 5.247 -10.731 1.00 0.00 H new ATOM 0 HG1 THR A 141 116.196 3.341 -11.494 1.00 0.00 H new ATOM 0 HG21 THR A 141 117.040 5.471 -12.264 1.00 0.00 H new ATOM 0 HG22 THR A 141 116.998 6.806 -11.087 1.00 0.00 H new ATOM 0 HG23 THR A 141 118.147 5.463 -10.870 1.00 0.00 H new ATOM 2245 N ILE A 142 114.028 4.933 -8.081 1.00 0.00 N ATOM 2246 CA ILE A 142 113.002 4.230 -7.266 1.00 0.00 C ATOM 2247 C ILE A 142 112.280 3.163 -8.091 1.00 0.00 C ATOM 2248 O ILE A 142 111.878 3.390 -9.216 1.00 0.00 O ATOM 2249 CB ILE A 142 112.035 5.328 -6.827 1.00 0.00 C ATOM 2250 CG1 ILE A 142 112.789 6.345 -5.967 1.00 0.00 C ATOM 2251 CG2 ILE A 142 110.901 4.717 -6.005 1.00 0.00 C ATOM 2252 CD1 ILE A 142 111.908 7.575 -5.746 1.00 0.00 C ATOM 0 H ILE A 142 113.678 5.717 -8.632 1.00 0.00 H new ATOM 0 HA ILE A 142 113.442 3.706 -6.418 1.00 0.00 H new ATOM 0 HB ILE A 142 111.620 5.820 -7.707 1.00 0.00 H new ATOM 0 HG12 ILE A 142 113.058 5.900 -5.009 1.00 0.00 H new ATOM 0 HG13 ILE A 142 113.719 6.633 -6.457 1.00 0.00 H new ATOM 0 HG21 ILE A 142 110.213 5.503 -5.693 1.00 0.00 H new ATOM 0 HG22 ILE A 142 110.366 3.985 -6.611 1.00 0.00 H new ATOM 0 HG23 ILE A 142 111.314 4.226 -5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 142 112.443 8.301 -5.134 1.00 0.00 H new ATOM 0 HD12 ILE A 142 111.662 8.024 -6.708 1.00 0.00 H new ATOM 0 HD13 ILE A 142 110.990 7.279 -5.238 1.00 0.00 H new ATOM 2264 N SER A 143 112.083 2.009 -7.517 1.00 0.00 N ATOM 2265 CA SER A 143 111.356 0.925 -8.231 1.00 0.00 C ATOM 2266 C SER A 143 109.880 0.988 -7.844 1.00 0.00 C ATOM 2267 O SER A 143 109.544 1.121 -6.685 1.00 0.00 O ATOM 2268 CB SER A 143 111.990 -0.368 -7.736 1.00 0.00 C ATOM 2269 OG SER A 143 111.234 -1.478 -8.208 1.00 0.00 O ATOM 0 H SER A 143 112.397 1.770 -6.577 1.00 0.00 H new ATOM 0 HA SER A 143 111.419 1.006 -9.316 1.00 0.00 H new ATOM 0 HB2 SER A 143 113.019 -0.439 -8.088 1.00 0.00 H new ATOM 0 HB3 SER A 143 112.025 -0.375 -6.647 1.00 0.00 H new ATOM 0 HG SER A 143 110.456 -1.614 -7.628 1.00 0.00 H new ATOM 2275 N LYS A 144 108.998 0.901 -8.795 1.00 0.00 N ATOM 2276 CA LYS A 144 107.549 0.964 -8.463 1.00 0.00 C ATOM 2277 C LYS A 144 106.809 -0.211 -9.099 1.00 0.00 C ATOM 2278 O LYS A 144 107.062 -0.575 -10.229 1.00 0.00 O ATOM 2279 CB LYS A 144 107.082 2.291 -9.060 1.00 0.00 C ATOM 2280 CG LYS A 144 107.728 3.445 -8.288 1.00 0.00 C ATOM 2281 CD LYS A 144 107.336 4.780 -8.923 1.00 0.00 C ATOM 2282 CE LYS A 144 107.980 5.921 -8.131 1.00 0.00 C ATOM 2283 NZ LYS A 144 107.578 7.167 -8.841 1.00 0.00 N1+ ATOM 0 H LYS A 144 109.215 0.789 -9.785 1.00 0.00 H new ATOM 0 HA LYS A 144 107.358 0.905 -7.392 1.00 0.00 H new ATOM 0 HB2 LYS A 144 107.354 2.345 -10.114 1.00 0.00 H new ATOM 0 HB3 LYS A 144 105.996 2.365 -9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 144 107.409 3.420 -7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 144 108.812 3.335 -8.292 1.00 0.00 H new ATOM 0 HD2 LYS A 144 107.663 4.812 -9.962 1.00 0.00 H new ATOM 0 HD3 LYS A 144 106.252 4.890 -8.927 1.00 0.00 H new ATOM 0 HE2 LYS A 144 107.633 5.928 -7.098 1.00 0.00 H new ATOM 0 HE3 LYS A 144 109.065 5.817 -8.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 108.428 7.671 -9.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 106.984 6.924 -9.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 107.041 7.778 -8.193 1.00 0.00 H new ATOM 2297 N GLY A 145 105.893 -0.806 -8.388 1.00 0.00 N ATOM 2298 CA GLY A 145 105.141 -1.951 -8.966 1.00 0.00 C ATOM 2299 C GLY A 145 104.417 -1.487 -10.229 1.00 0.00 C ATOM 2300 O GLY A 145 104.759 -1.966 -11.297 1.00 0.00 O ATOM 2301 OXT GLY A 145 103.536 -0.651 -10.108 1.00 0.00 O ATOM 0 H GLY A 145 105.634 -0.550 -7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 145 105.823 -2.768 -9.202 1.00 0.00 H new ATOM 0 HA3 GLY A 145 104.423 -2.334 -8.241 1.00 0.00 H new TER 2305 GLY A 145