USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 921 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 86 ASN :FLIP amide:sc= -0.819 F(o=-3.4,f=-1.1) USER MOD Set 1.2: A 88 ASN : amide:sc= -0.326 K(o=-1.1,f=-3.9) USER MOD Set 2.1: A 72 SER OG : rot -155:sc= -2.32! USER MOD Set 2.2: A 73 MET CE :methyl -107:sc= -2.47! (180deg=-4.25!) USER MOD Set 3.1: A 61 TYR OH : rot 116:sc= -1.15 USER MOD Set 3.2: A 65 HIS :FLIP no HE2:sc= -9.29! C(o=-12!,f=-10!) USER MOD Set 4.1: A 52 SER OG : rot 130:sc= -0.133 USER MOD Set 4.2: A 97 TYR OH : rot 15:sc= -2.77! USER MOD Single : A 1 MET CE :methyl -155:sc= -26.2! (180deg=-29.3!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 154:sc= -2.51! (180deg=-5.29!) USER MOD Single : A 5 SER OG : rot 172:sc= -4.42! USER MOD Single : A 6 GLN : amide:sc= -0.0244 X(o=-0.024,f=-0.36) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0286 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.78 K(o=-1.8,f=-3!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -151:sc= -0.511! (180deg=-2.16!) USER MOD Single : A 24 ASN : amide:sc= -5.42! C(o=-5.4!,f=-5.7!) USER MOD Single : A 28 SER OG : rot -122:sc= 0.00702 USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= -2.37 (180deg=-3.9!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 89:sc= -0.659 USER MOD Single : A 37 LYS NZ :NH3+ 150:sc= -0.0286 (180deg=-0.798) USER MOD Single : A 39 THR OG1 : rot -92:sc= -0.635 USER MOD Single : A 41 SER OG : rot 100:sc= -0.94 USER MOD Single : A 42 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.13) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -4.4! USER MOD Single : A 55 SER OG : rot 180:sc= -0.78 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0215 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0.088 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= -2.95! USER MOD Single : A 78 THR OG1 : rot 131:sc= 0.627 USER MOD Single : A 79 GLN : amide:sc= -0.299 X(o=-0.3,f=0) USER MOD Single : A 81 GLN : amide:sc= -0.206 K(o=-0.21,f=-2.3!) USER MOD Single : A 82 LYS NZ :NH3+ 148:sc= -0.402 (180deg=-1.64!) USER MOD Single : A 85 LYS NZ :NH3+ -156:sc= -0.786 (180deg=-1.46!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 93 LYS NZ :NH3+ -144:sc= -2.54 (180deg=-5.04!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.198 5.133 14.439 1.00 0.00 N ATOM 2 CA MET A 1 4.691 5.489 13.087 1.00 0.00 C ATOM 3 C MET A 1 4.254 6.938 13.021 1.00 0.00 C ATOM 4 O MET A 1 3.318 7.339 13.714 1.00 0.00 O ATOM 5 CB MET A 1 3.485 4.608 12.758 1.00 0.00 C ATOM 6 CG MET A 1 3.795 3.456 11.836 1.00 0.00 C ATOM 7 SD MET A 1 3.309 1.880 12.529 1.00 0.00 S ATOM 8 CE MET A 1 2.707 1.118 11.040 1.00 0.00 C ATOM 0 H1 MET A 1 5.489 4.134 14.449 1.00 0.00 H new ATOM 0 H2 MET A 1 6.014 5.733 14.673 1.00 0.00 H new ATOM 0 H3 MET A 1 4.446 5.282 15.142 1.00 0.00 H new ATOM 0 HA MET A 1 5.500 5.334 12.373 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.072 4.214 13.687 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.711 5.226 12.302 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.282 3.606 10.886 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.864 3.442 11.623 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.978 0.349 11.294 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.235 1.872 10.411 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.539 0.665 10.501 1.00 0.00 H new ATOM 20 N ASP A 2 4.888 7.718 12.157 1.00 0.00 N ATOM 21 CA ASP A 2 4.487 9.100 12.000 1.00 0.00 C ATOM 22 C ASP A 2 3.068 9.116 11.454 1.00 0.00 C ATOM 23 O ASP A 2 2.602 8.123 10.898 1.00 0.00 O ATOM 24 CB ASP A 2 5.441 9.857 11.077 1.00 0.00 C ATOM 25 CG ASP A 2 6.159 10.987 11.789 1.00 0.00 C ATOM 26 OD1 ASP A 2 5.553 12.067 11.950 1.00 0.00 O ATOM 27 OD2 ASP A 2 7.327 10.791 12.187 1.00 0.00 O ATOM 0 H ASP A 2 5.666 7.422 11.567 1.00 0.00 H new ATOM 0 HA ASP A 2 4.523 9.607 12.964 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.176 9.163 10.670 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.882 10.260 10.233 1.00 0.00 H new ATOM 32 N ILE A 3 2.377 10.218 11.643 1.00 0.00 N ATOM 33 CA ILE A 3 0.994 10.339 11.202 1.00 0.00 C ATOM 34 C ILE A 3 0.772 9.848 9.777 1.00 0.00 C ATOM 35 O ILE A 3 -0.111 9.026 9.527 1.00 0.00 O ATOM 36 CB ILE A 3 0.521 11.795 11.327 1.00 0.00 C ATOM 37 CG1 ILE A 3 0.162 12.128 12.783 1.00 0.00 C ATOM 38 CG2 ILE A 3 -0.662 12.062 10.407 1.00 0.00 C ATOM 39 CD1 ILE A 3 0.887 11.283 13.815 1.00 0.00 C ATOM 0 H ILE A 3 2.747 11.051 12.101 1.00 0.00 H new ATOM 0 HA ILE A 3 0.406 9.695 11.856 1.00 0.00 H new ATOM 0 HB ILE A 3 1.342 12.444 11.021 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.386 13.178 12.969 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.912 12.002 12.918 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.979 13.099 10.513 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.369 11.876 9.374 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.487 11.402 10.674 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.575 11.584 14.815 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.644 10.232 13.660 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.963 11.426 13.712 1.00 0.00 H new ATOM 51 N LYS A 4 1.556 10.360 8.843 1.00 0.00 N ATOM 52 CA LYS A 4 1.415 9.972 7.447 1.00 0.00 C ATOM 53 C LYS A 4 1.390 8.451 7.323 1.00 0.00 C ATOM 54 O LYS A 4 0.661 7.895 6.504 1.00 0.00 O ATOM 55 CB LYS A 4 2.538 10.588 6.599 1.00 0.00 C ATOM 56 CG LYS A 4 3.798 9.743 6.509 1.00 0.00 C ATOM 57 CD LYS A 4 4.687 9.926 7.726 1.00 0.00 C ATOM 58 CE LYS A 4 5.036 8.595 8.366 1.00 0.00 C ATOM 59 NZ LYS A 4 6.502 8.448 8.578 1.00 0.00 N ATOM 0 H LYS A 4 2.293 11.042 9.023 1.00 0.00 H new ATOM 0 HA LYS A 4 0.468 10.356 7.067 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.161 10.763 5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.798 11.561 7.015 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.525 8.692 6.413 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.353 10.012 5.610 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.602 10.442 7.435 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.182 10.560 8.455 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.520 8.506 9.322 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.678 7.783 7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.675 7.793 9.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.942 8.072 7.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.915 9.376 8.802 1.00 0.00 H new ATOM 73 N SER A 5 2.175 7.794 8.172 1.00 0.00 N ATOM 74 CA SER A 5 2.236 6.340 8.198 1.00 0.00 C ATOM 75 C SER A 5 1.106 5.792 9.068 1.00 0.00 C ATOM 76 O SER A 5 0.562 4.717 8.822 1.00 0.00 O ATOM 77 CB SER A 5 3.592 5.872 8.727 1.00 0.00 C ATOM 78 OG SER A 5 3.520 4.557 9.246 1.00 0.00 O ATOM 0 H SER A 5 2.780 8.251 8.854 1.00 0.00 H new ATOM 0 HA SER A 5 2.117 5.962 7.183 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.329 5.908 7.925 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.935 6.553 9.506 1.00 0.00 H new ATOM 0 HG SER A 5 4.423 4.238 9.454 1.00 0.00 H new ATOM 84 N GLN A 6 0.799 6.549 10.107 1.00 0.00 N ATOM 85 CA GLN A 6 -0.216 6.215 11.090 1.00 0.00 C ATOM 86 C GLN A 6 -1.615 5.996 10.541 1.00 0.00 C ATOM 87 O GLN A 6 -2.348 5.153 11.059 1.00 0.00 O ATOM 88 CB GLN A 6 -0.263 7.342 12.117 1.00 0.00 C ATOM 89 CG GLN A 6 -0.380 6.865 13.535 1.00 0.00 C ATOM 90 CD GLN A 6 -0.977 7.910 14.458 1.00 0.00 C ATOM 91 OE1 GLN A 6 -0.273 8.516 15.266 1.00 0.00 O ATOM 92 NE2 GLN A 6 -2.282 8.127 14.343 1.00 0.00 N ATOM 0 H GLN A 6 1.262 7.438 10.295 1.00 0.00 H new ATOM 0 HA GLN A 6 0.078 5.255 11.515 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.639 7.947 12.020 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.109 7.992 11.891 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.998 5.967 13.562 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.607 6.584 13.902 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.828 7.602 13.660 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.738 8.819 14.938 1.00 0.00 H new ATOM 101 N THR A 7 -2.018 6.754 9.540 1.00 0.00 N ATOM 102 CA THR A 7 -3.357 6.599 9.029 1.00 0.00 C ATOM 103 C THR A 7 -3.445 5.453 8.075 1.00 0.00 C ATOM 104 O THR A 7 -4.331 4.618 8.203 1.00 0.00 O ATOM 105 CB THR A 7 -3.896 7.870 8.414 1.00 0.00 C ATOM 106 OG1 THR A 7 -2.978 8.941 8.554 1.00 0.00 O ATOM 107 CG2 THR A 7 -5.189 8.259 9.075 1.00 0.00 C ATOM 0 H THR A 7 -1.451 7.465 9.077 1.00 0.00 H new ATOM 0 HA THR A 7 -3.993 6.374 9.885 1.00 0.00 H new ATOM 0 HB THR A 7 -4.058 7.676 7.354 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.353 9.749 8.146 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.567 9.176 8.623 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.920 7.461 8.943 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.019 8.422 10.139 1.00 0.00 H new ATOM 115 N LEU A 8 -2.511 5.362 7.148 1.00 0.00 N ATOM 116 CA LEU A 8 -2.539 4.230 6.255 1.00 0.00 C ATOM 117 C LEU A 8 -2.277 2.996 7.100 1.00 0.00 C ATOM 118 O LEU A 8 -2.717 1.895 6.769 1.00 0.00 O ATOM 119 CB LEU A 8 -1.544 4.319 5.093 1.00 0.00 C ATOM 120 CG LEU A 8 -0.674 5.564 5.021 1.00 0.00 C ATOM 121 CD1 LEU A 8 0.625 5.300 5.735 1.00 0.00 C ATOM 122 CD2 LEU A 8 -0.421 5.958 3.574 1.00 0.00 C ATOM 0 H LEU A 8 -1.755 6.030 6.999 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.515 4.195 5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.888 3.450 5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.104 4.243 4.161 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.189 6.393 5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.254 6.189 5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.424 5.054 6.778 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.139 4.466 5.258 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.203 6.851 3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.087 5.143 3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.371 6.163 3.081 1.00 0.00 H new ATOM 134 N TYR A 9 -1.597 3.206 8.237 1.00 0.00 N ATOM 135 CA TYR A 9 -1.336 2.130 9.159 1.00 0.00 C ATOM 136 C TYR A 9 -2.627 1.747 9.844 1.00 0.00 C ATOM 137 O TYR A 9 -3.167 0.663 9.645 1.00 0.00 O ATOM 138 CB TYR A 9 -0.349 2.548 10.215 1.00 0.00 C ATOM 139 CG TYR A 9 -0.100 1.463 11.217 1.00 0.00 C ATOM 140 CD1 TYR A 9 -0.235 0.119 10.868 1.00 0.00 C ATOM 141 CD2 TYR A 9 0.315 1.779 12.493 1.00 0.00 C ATOM 142 CE1 TYR A 9 0.045 -0.874 11.788 1.00 0.00 C ATOM 143 CE2 TYR A 9 0.602 0.795 13.412 1.00 0.00 C ATOM 144 CZ TYR A 9 0.469 -0.531 13.057 1.00 0.00 C ATOM 145 OH TYR A 9 0.756 -1.516 13.972 1.00 0.00 O ATOM 0 H TYR A 9 -1.226 4.112 8.524 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.923 1.291 8.599 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.592 2.825 9.741 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.721 3.435 10.727 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.560 -0.147 9.873 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.417 2.816 12.777 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.067 -1.913 11.516 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.930 1.060 14.406 1.00 0.00 H new ATOM 0 HH TYR A 9 1.042 -1.106 14.815 1.00 0.00 H new ATOM 155 N LEU A 10 -3.129 2.677 10.650 1.00 0.00 N ATOM 156 CA LEU A 10 -4.379 2.473 11.354 1.00 0.00 C ATOM 157 C LEU A 10 -5.429 2.021 10.361 1.00 0.00 C ATOM 158 O LEU A 10 -6.295 1.209 10.675 1.00 0.00 O ATOM 159 CB LEU A 10 -4.825 3.761 12.044 1.00 0.00 C ATOM 160 CG LEU A 10 -4.141 4.042 13.380 1.00 0.00 C ATOM 161 CD1 LEU A 10 -4.658 5.343 13.977 1.00 0.00 C ATOM 162 CD2 LEU A 10 -4.366 2.883 14.339 1.00 0.00 C ATOM 0 H LEU A 10 -2.685 3.578 10.828 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.243 1.711 12.121 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.638 4.599 11.373 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.902 3.716 12.206 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.069 4.146 13.211 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.161 5.529 14.929 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.451 6.165 13.292 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.733 5.267 14.138 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.874 3.095 15.288 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.435 2.752 14.506 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.951 1.971 13.911 1.00 0.00 H new ATOM 174 N ASN A 11 -5.308 2.525 9.139 1.00 0.00 N ATOM 175 CA ASN A 11 -6.214 2.143 8.078 1.00 0.00 C ATOM 176 C ASN A 11 -5.920 0.700 7.696 1.00 0.00 C ATOM 177 O ASN A 11 -6.819 -0.062 7.357 1.00 0.00 O ATOM 178 CB ASN A 11 -6.064 3.052 6.857 1.00 0.00 C ATOM 179 CG ASN A 11 -6.754 4.391 7.042 1.00 0.00 C ATOM 180 OD1 ASN A 11 -7.751 4.495 7.757 1.00 0.00 O ATOM 181 ND2 ASN A 11 -6.227 5.423 6.393 1.00 0.00 N ATOM 0 H ASN A 11 -4.591 3.197 8.865 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.240 2.244 8.431 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -5.005 3.217 6.659 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.478 2.551 5.982 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.650 6.348 6.476 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.400 5.291 5.811 1.00 0.00 H new ATOM 188 N LEU A 12 -4.639 0.332 7.787 1.00 0.00 N ATOM 189 CA LEU A 12 -4.210 -1.024 7.487 1.00 0.00 C ATOM 190 C LEU A 12 -4.816 -1.986 8.495 1.00 0.00 C ATOM 191 O LEU A 12 -5.274 -3.065 8.138 1.00 0.00 O ATOM 192 CB LEU A 12 -2.679 -1.142 7.477 1.00 0.00 C ATOM 193 CG LEU A 12 -1.998 -1.029 6.097 1.00 0.00 C ATOM 194 CD1 LEU A 12 -0.915 -2.084 5.949 1.00 0.00 C ATOM 195 CD2 LEU A 12 -2.998 -1.136 4.953 1.00 0.00 C ATOM 0 H LEU A 12 -3.885 0.960 8.067 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.561 -1.282 6.488 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.271 -0.367 8.125 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.406 -2.101 7.917 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.544 -0.040 6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.446 -1.989 4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.164 -1.946 6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.357 -3.076 6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.473 -1.051 4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.506 -2.099 5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.732 -0.334 5.035 1.00 0.00 H new ATOM 207 N SER A 13 -4.845 -1.574 9.754 1.00 0.00 N ATOM 208 CA SER A 13 -5.428 -2.399 10.797 1.00 0.00 C ATOM 209 C SER A 13 -6.937 -2.439 10.633 1.00 0.00 C ATOM 210 O SER A 13 -7.560 -3.497 10.719 1.00 0.00 O ATOM 211 CB SER A 13 -5.057 -1.862 12.180 1.00 0.00 C ATOM 212 OG SER A 13 -3.731 -2.220 12.529 1.00 0.00 O ATOM 0 H SER A 13 -4.474 -0.680 10.075 1.00 0.00 H new ATOM 0 HA SER A 13 -5.032 -3.411 10.709 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.159 -0.777 12.191 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.750 -2.255 12.924 1.00 0.00 H new ATOM 0 HG SER A 13 -3.519 -1.863 13.417 1.00 0.00 H new ATOM 218 N GLU A 14 -7.507 -1.275 10.371 1.00 0.00 N ATOM 219 CA GLU A 14 -8.940 -1.152 10.164 1.00 0.00 C ATOM 220 C GLU A 14 -9.344 -1.844 8.868 1.00 0.00 C ATOM 221 O GLU A 14 -10.459 -2.347 8.732 1.00 0.00 O ATOM 222 CB GLU A 14 -9.352 0.320 10.118 1.00 0.00 C ATOM 223 CG GLU A 14 -8.850 1.132 11.301 1.00 0.00 C ATOM 224 CD GLU A 14 -9.952 1.480 12.282 1.00 0.00 C ATOM 225 OE1 GLU A 14 -10.985 0.777 12.291 1.00 0.00 O ATOM 226 OE2 GLU A 14 -9.783 2.456 13.043 1.00 0.00 O ATOM 0 H GLU A 14 -6.995 -0.396 10.296 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.451 -1.631 10.999 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.975 0.765 9.197 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.440 0.383 10.081 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.073 0.570 11.819 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.390 2.051 10.937 1.00 0.00 H new ATOM 233 N ALA A 15 -8.414 -1.873 7.929 1.00 0.00 N ATOM 234 CA ALA A 15 -8.631 -2.514 6.641 1.00 0.00 C ATOM 235 C ALA A 15 -8.488 -4.001 6.764 1.00 0.00 C ATOM 236 O ALA A 15 -9.334 -4.764 6.329 1.00 0.00 O ATOM 237 CB ALA A 15 -7.663 -2.008 5.610 1.00 0.00 C ATOM 0 H ALA A 15 -7.490 -1.455 8.036 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.644 -2.269 6.321 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.851 -2.506 4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.791 -0.932 5.488 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.644 -2.218 5.934 1.00 0.00 H new ATOM 243 N TYR A 16 -7.391 -4.403 7.368 1.00 0.00 N ATOM 244 CA TYR A 16 -7.111 -5.801 7.575 1.00 0.00 C ATOM 245 C TYR A 16 -8.316 -6.470 8.220 1.00 0.00 C ATOM 246 O TYR A 16 -8.578 -7.653 8.005 1.00 0.00 O ATOM 247 CB TYR A 16 -5.869 -5.922 8.439 1.00 0.00 C ATOM 248 CG TYR A 16 -5.945 -7.051 9.395 1.00 0.00 C ATOM 249 CD1 TYR A 16 -5.804 -8.334 8.940 1.00 0.00 C ATOM 250 CD2 TYR A 16 -6.179 -6.830 10.729 1.00 0.00 C ATOM 251 CE1 TYR A 16 -5.884 -9.408 9.782 1.00 0.00 C ATOM 252 CE2 TYR A 16 -6.263 -7.895 11.611 1.00 0.00 C ATOM 253 CZ TYR A 16 -6.112 -9.190 11.131 1.00 0.00 C ATOM 254 OH TYR A 16 -6.195 -10.258 11.994 1.00 0.00 O ATOM 0 H TYR A 16 -6.674 -3.772 7.726 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.924 -6.305 6.627 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.997 -6.052 7.798 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.723 -4.993 8.991 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.625 -8.502 7.888 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.298 -5.820 11.093 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.771 -10.412 9.401 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.444 -7.720 12.661 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.357 -9.932 12.904 1.00 0.00 H new ATOM 264 N LYS A 17 -9.068 -5.683 8.979 1.00 0.00 N ATOM 265 CA LYS A 17 -10.267 -6.176 9.615 1.00 0.00 C ATOM 266 C LYS A 17 -11.465 -5.992 8.681 1.00 0.00 C ATOM 267 O LYS A 17 -12.613 -6.168 9.089 1.00 0.00 O ATOM 268 CB LYS A 17 -10.510 -5.476 10.957 1.00 0.00 C ATOM 269 CG LYS A 17 -10.683 -3.972 10.846 1.00 0.00 C ATOM 270 CD LYS A 17 -11.046 -3.351 12.187 1.00 0.00 C ATOM 271 CE LYS A 17 -9.818 -3.154 13.062 1.00 0.00 C ATOM 272 NZ LYS A 17 -10.067 -3.565 14.471 1.00 0.00 N ATOM 0 H LYS A 17 -8.863 -4.701 9.165 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.138 -7.239 9.818 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.400 -5.901 11.421 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.673 -5.687 11.622 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.761 -3.525 10.475 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.462 -3.747 10.117 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.535 -2.391 12.024 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.763 -3.990 12.703 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.987 -3.732 12.657 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.519 -2.106 13.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.205 -3.415 15.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.843 -2.996 14.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.327 -4.572 14.498 1.00 0.00 H new ATOM 286 N ASP A 18 -11.187 -5.663 7.412 1.00 0.00 N ATOM 287 CA ASP A 18 -12.242 -5.488 6.425 1.00 0.00 C ATOM 288 C ASP A 18 -12.900 -6.841 6.162 1.00 0.00 C ATOM 289 O ASP A 18 -12.229 -7.774 5.732 1.00 0.00 O ATOM 290 CB ASP A 18 -11.698 -4.920 5.114 1.00 0.00 C ATOM 291 CG ASP A 18 -11.863 -3.415 5.030 1.00 0.00 C ATOM 292 OD1 ASP A 18 -11.763 -2.748 6.080 1.00 0.00 O ATOM 293 OD2 ASP A 18 -12.098 -2.905 3.915 1.00 0.00 O ATOM 0 H ASP A 18 -10.244 -5.515 7.054 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.969 -4.778 6.818 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.642 -5.174 5.020 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.214 -5.388 4.275 1.00 0.00 H new ATOM 298 N PRO A 19 -14.202 -6.988 6.444 1.00 0.00 N ATOM 299 CA PRO A 19 -14.917 -8.260 6.257 1.00 0.00 C ATOM 300 C PRO A 19 -14.583 -8.991 4.956 1.00 0.00 C ATOM 301 O PRO A 19 -14.653 -10.220 4.905 1.00 0.00 O ATOM 302 CB PRO A 19 -16.372 -7.819 6.284 1.00 0.00 C ATOM 303 CG PRO A 19 -16.366 -6.702 7.262 1.00 0.00 C ATOM 304 CD PRO A 19 -15.090 -5.947 6.999 1.00 0.00 C ATOM 0 HA PRO A 19 -14.645 -8.990 7.019 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.713 -7.493 5.301 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.033 -8.627 6.599 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -17.237 -6.060 7.130 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.398 -7.076 8.285 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.242 -5.128 6.296 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.682 -5.512 7.911 1.00 0.00 H new ATOM 312 N GLU A 20 -14.206 -8.257 3.912 1.00 0.00 N ATOM 313 CA GLU A 20 -13.856 -8.892 2.648 1.00 0.00 C ATOM 314 C GLU A 20 -12.350 -8.978 2.482 1.00 0.00 C ATOM 315 O GLU A 20 -11.825 -9.266 1.407 1.00 0.00 O ATOM 316 CB GLU A 20 -14.476 -8.141 1.501 1.00 0.00 C ATOM 317 CG GLU A 20 -15.971 -8.347 1.434 1.00 0.00 C ATOM 318 CD GLU A 20 -16.553 -8.023 0.073 1.00 0.00 C ATOM 319 OE1 GLU A 20 -16.437 -8.869 -0.838 1.00 0.00 O ATOM 320 OE2 GLU A 20 -17.123 -6.922 -0.083 1.00 0.00 O ATOM 0 H GLU A 20 -14.136 -7.239 3.916 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.250 -9.908 2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.261 -7.078 1.605 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.022 -8.468 0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.201 -9.383 1.684 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.452 -7.723 2.187 1.00 0.00 H new ATOM 327 N VAL A 21 -11.693 -8.805 3.601 1.00 0.00 N ATOM 328 CA VAL A 21 -10.257 -8.924 3.724 1.00 0.00 C ATOM 329 C VAL A 21 -10.010 -10.062 4.701 1.00 0.00 C ATOM 330 O VAL A 21 -9.075 -10.848 4.549 1.00 0.00 O ATOM 331 CB VAL A 21 -9.602 -7.623 4.226 1.00 0.00 C ATOM 332 CG1 VAL A 21 -8.129 -7.844 4.541 1.00 0.00 C ATOM 333 CG2 VAL A 21 -9.772 -6.520 3.192 1.00 0.00 C ATOM 0 H VAL A 21 -12.154 -8.570 4.480 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.810 -9.120 2.750 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.099 -7.318 5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.688 -6.911 4.894 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.033 -8.606 5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.610 -8.173 3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.306 -5.605 3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.299 -6.821 2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.834 -6.343 3.020 1.00 0.00 H new ATOM 343 N LYS A 22 -10.927 -10.178 5.671 1.00 0.00 N ATOM 344 CA LYS A 22 -10.903 -11.248 6.643 1.00 0.00 C ATOM 345 C LYS A 22 -10.931 -12.563 5.896 1.00 0.00 C ATOM 346 O LYS A 22 -10.231 -13.517 6.236 1.00 0.00 O ATOM 347 CB LYS A 22 -12.144 -11.165 7.541 1.00 0.00 C ATOM 348 CG LYS A 22 -12.484 -9.770 8.011 1.00 0.00 C ATOM 349 CD LYS A 22 -11.307 -9.083 8.681 1.00 0.00 C ATOM 350 CE LYS A 22 -10.584 -10.000 9.661 1.00 0.00 C ATOM 351 NZ LYS A 22 -9.341 -9.374 10.192 1.00 0.00 N ATOM 0 H LYS A 22 -11.702 -9.526 5.793 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.007 -11.168 7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.998 -11.570 6.998 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.990 -11.801 8.413 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.814 -9.173 7.161 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.319 -9.818 8.710 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.605 -8.744 7.919 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.659 -8.196 9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.250 -10.244 10.489 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.335 -10.938 9.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.652 -10.116 10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.936 -8.742 9.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.566 -8.826 11.047 1.00 0.00 H new ATOM 365 N ALA A 23 -11.754 -12.583 4.852 1.00 0.00 N ATOM 366 CA ALA A 23 -11.895 -13.757 4.014 1.00 0.00 C ATOM 367 C ALA A 23 -10.648 -13.947 3.166 1.00 0.00 C ATOM 368 O ALA A 23 -10.335 -15.058 2.736 1.00 0.00 O ATOM 369 CB ALA A 23 -13.129 -13.642 3.133 1.00 0.00 C ATOM 0 H ALA A 23 -12.334 -11.793 4.570 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.017 -14.630 4.655 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.217 -14.533 2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.016 -13.548 3.760 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.040 -12.762 2.495 1.00 0.00 H new ATOM 375 N ASN A 24 -9.936 -12.850 2.936 1.00 0.00 N ATOM 376 CA ASN A 24 -8.722 -12.879 2.149 1.00 0.00 C ATOM 377 C ASN A 24 -7.508 -13.119 3.031 1.00 0.00 C ATOM 378 O ASN A 24 -7.007 -12.203 3.683 1.00 0.00 O ATOM 379 CB ASN A 24 -8.564 -11.585 1.353 1.00 0.00 C ATOM 380 CG ASN A 24 -9.392 -11.590 0.084 1.00 0.00 C ATOM 381 OD1 ASN A 24 -8.891 -11.905 -0.996 1.00 0.00 O ATOM 382 ND2 ASN A 24 -10.668 -11.246 0.208 1.00 0.00 N ATOM 0 H ASN A 24 -10.186 -11.926 3.289 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.796 -13.707 1.445 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.859 -10.740 1.974 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.514 -11.442 1.099 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.275 -11.236 -0.611 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.041 -10.992 1.123 1.00 0.00 H new ATOM 389 N GLU A 25 -7.042 -14.366 3.047 1.00 0.00 N ATOM 390 CA GLU A 25 -5.886 -14.752 3.849 1.00 0.00 C ATOM 391 C GLU A 25 -4.776 -13.716 3.752 1.00 0.00 C ATOM 392 O GLU A 25 -4.379 -13.116 4.750 1.00 0.00 O ATOM 393 CB GLU A 25 -5.367 -16.122 3.403 1.00 0.00 C ATOM 394 CG GLU A 25 -5.175 -17.105 4.547 1.00 0.00 C ATOM 395 CD GLU A 25 -6.481 -17.709 5.023 1.00 0.00 C ATOM 396 OE1 GLU A 25 -7.300 -16.968 5.607 1.00 0.00 O ATOM 397 OE2 GLU A 25 -6.685 -18.922 4.811 1.00 0.00 O ATOM 0 H GLU A 25 -7.451 -15.130 2.509 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.204 -14.811 4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.065 -16.548 2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.417 -15.990 2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.505 -17.903 4.227 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.689 -16.597 5.380 1.00 0.00 H new ATOM 404 N PHE A 26 -4.289 -13.511 2.544 1.00 0.00 N ATOM 405 CA PHE A 26 -3.226 -12.546 2.310 1.00 0.00 C ATOM 406 C PHE A 26 -3.684 -11.141 2.669 1.00 0.00 C ATOM 407 O PHE A 26 -3.300 -10.610 3.696 1.00 0.00 O ATOM 408 CB PHE A 26 -2.749 -12.567 0.853 1.00 0.00 C ATOM 409 CG PHE A 26 -2.983 -13.862 0.143 1.00 0.00 C ATOM 410 CD1 PHE A 26 -2.068 -14.895 0.238 1.00 0.00 C ATOM 411 CD2 PHE A 26 -4.118 -14.041 -0.627 1.00 0.00 C ATOM 412 CE1 PHE A 26 -2.282 -16.086 -0.421 1.00 0.00 C ATOM 413 CE2 PHE A 26 -4.340 -15.227 -1.291 1.00 0.00 C ATOM 414 CZ PHE A 26 -3.421 -16.255 -1.189 1.00 0.00 C ATOM 0 H PHE A 26 -4.611 -13.998 1.708 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.392 -12.832 2.951 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.255 -11.771 0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.683 -12.342 0.830 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.177 -14.767 0.835 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.839 -13.241 -0.709 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.562 -16.887 -0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.230 -15.354 -1.890 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.591 -17.187 -1.707 1.00 0.00 H new ATOM 424 N LEU A 27 -4.502 -10.544 1.805 1.00 0.00 N ATOM 425 CA LEU A 27 -5.006 -9.187 2.012 1.00 0.00 C ATOM 426 C LEU A 27 -4.928 -8.747 3.466 1.00 0.00 C ATOM 427 O LEU A 27 -4.306 -7.730 3.765 1.00 0.00 O ATOM 428 CB LEU A 27 -6.425 -9.063 1.486 1.00 0.00 C ATOM 429 CG LEU A 27 -6.537 -9.303 -0.015 1.00 0.00 C ATOM 430 CD1 LEU A 27 -7.957 -9.059 -0.499 1.00 0.00 C ATOM 431 CD2 LEU A 27 -5.547 -8.424 -0.762 1.00 0.00 C ATOM 0 H LEU A 27 -4.833 -10.984 0.946 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.357 -8.516 1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.062 -9.776 2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.804 -8.068 1.717 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.293 -10.346 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.011 -9.237 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.638 -9.737 0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.242 -8.028 -0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.636 -8.604 -1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.760 -7.376 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.534 -8.660 -0.438 1.00 0.00 H new ATOM 443 N SER A 28 -5.524 -9.509 4.382 1.00 0.00 N ATOM 444 CA SER A 28 -5.450 -9.144 5.767 1.00 0.00 C ATOM 445 C SER A 28 -4.026 -9.320 6.257 1.00 0.00 C ATOM 446 O SER A 28 -3.411 -8.375 6.735 1.00 0.00 O ATOM 447 CB SER A 28 -6.443 -9.958 6.585 1.00 0.00 C ATOM 448 OG SER A 28 -7.003 -11.013 5.825 1.00 0.00 O ATOM 0 H SER A 28 -6.048 -10.361 4.182 1.00 0.00 H new ATOM 0 HA SER A 28 -5.723 -8.096 5.889 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.943 -10.367 7.463 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.239 -9.306 6.946 1.00 0.00 H new ATOM 0 HG SER A 28 -7.979 -10.921 5.807 1.00 0.00 H new ATOM 454 N LYS A 29 -3.493 -10.519 6.084 1.00 0.00 N ATOM 455 CA LYS A 29 -2.113 -10.808 6.465 1.00 0.00 C ATOM 456 C LYS A 29 -1.174 -9.771 5.850 1.00 0.00 C ATOM 457 O LYS A 29 -0.503 -9.030 6.567 1.00 0.00 O ATOM 458 CB LYS A 29 -1.712 -12.212 6.011 1.00 0.00 C ATOM 459 CG LYS A 29 -2.007 -13.287 7.042 1.00 0.00 C ATOM 460 CD LYS A 29 -1.692 -14.672 6.502 1.00 0.00 C ATOM 461 CE LYS A 29 -2.637 -15.047 5.376 1.00 0.00 C ATOM 462 NZ LYS A 29 -2.388 -16.428 4.876 1.00 0.00 N ATOM 0 H LYS A 29 -3.993 -11.312 5.682 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.036 -10.761 7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.238 -12.451 5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.646 -12.221 5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.419 -13.103 7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.057 -13.238 7.332 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.663 -14.700 6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.769 -15.405 7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.667 -14.968 5.725 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.523 -14.338 4.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.777 -16.525 3.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.364 -16.610 4.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.849 -17.114 5.507 1.00 0.00 H new ATOM 476 N LEU A 30 -1.154 -9.704 4.516 1.00 0.00 N ATOM 477 CA LEU A 30 -0.332 -8.741 3.811 1.00 0.00 C ATOM 478 C LEU A 30 -0.492 -7.362 4.420 1.00 0.00 C ATOM 479 O LEU A 30 0.488 -6.679 4.717 1.00 0.00 O ATOM 480 CB LEU A 30 -0.728 -8.722 2.348 1.00 0.00 C ATOM 481 CG LEU A 30 0.091 -9.661 1.481 1.00 0.00 C ATOM 482 CD1 LEU A 30 1.301 -8.933 0.913 1.00 0.00 C ATOM 483 CD2 LEU A 30 0.522 -10.896 2.267 1.00 0.00 C ATOM 0 H LEU A 30 -1.703 -10.312 3.908 1.00 0.00 H new ATOM 0 HA LEU A 30 0.715 -9.030 3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.781 -8.989 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.625 -7.706 1.966 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.534 -9.995 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.880 -9.618 0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.967 -8.090 0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.924 -8.569 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.107 -11.552 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.128 -10.591 3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.361 -11.429 2.621 1.00 0.00 H new ATOM 495 N VAL A 31 -1.743 -6.974 4.626 1.00 0.00 N ATOM 496 CA VAL A 31 -2.052 -5.691 5.229 1.00 0.00 C ATOM 497 C VAL A 31 -1.457 -5.636 6.630 1.00 0.00 C ATOM 498 O VAL A 31 -0.899 -4.623 7.035 1.00 0.00 O ATOM 499 CB VAL A 31 -3.576 -5.452 5.290 1.00 0.00 C ATOM 500 CG1 VAL A 31 -3.922 -4.396 6.325 1.00 0.00 C ATOM 501 CG2 VAL A 31 -4.104 -5.051 3.920 1.00 0.00 C ATOM 0 H VAL A 31 -2.560 -7.533 4.383 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.617 -4.905 4.612 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.054 -6.385 5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.002 -4.248 6.347 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.581 -4.724 7.307 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.432 -3.458 6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.180 -4.886 3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.613 -4.134 3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.898 -5.846 3.204 1.00 0.00 H new ATOM 511 N VAL A 32 -1.557 -6.752 7.351 1.00 0.00 N ATOM 512 CA VAL A 32 -1.006 -6.849 8.695 1.00 0.00 C ATOM 513 C VAL A 32 0.487 -6.599 8.649 1.00 0.00 C ATOM 514 O VAL A 32 0.974 -5.574 9.126 1.00 0.00 O ATOM 515 CB VAL A 32 -1.270 -8.231 9.319 1.00 0.00 C ATOM 516 CG1 VAL A 32 -0.792 -8.269 10.761 1.00 0.00 C ATOM 517 CG2 VAL A 32 -2.748 -8.593 9.226 1.00 0.00 C ATOM 0 H VAL A 32 -2.016 -7.602 7.023 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.497 -6.098 9.313 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.705 -8.973 8.755 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.988 -9.255 11.183 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.278 -8.066 10.795 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.323 -7.514 11.340 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.911 -9.574 9.673 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.339 -7.848 9.759 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.052 -8.616 8.179 1.00 0.00 H new ATOM 527 N GLN A 33 1.204 -7.534 8.041 1.00 0.00 N ATOM 528 CA GLN A 33 2.643 -7.415 7.888 1.00 0.00 C ATOM 529 C GLN A 33 2.982 -6.026 7.396 1.00 0.00 C ATOM 530 O GLN A 33 3.753 -5.297 8.018 1.00 0.00 O ATOM 531 CB GLN A 33 3.163 -8.459 6.904 1.00 0.00 C ATOM 532 CG GLN A 33 4.384 -9.184 7.415 1.00 0.00 C ATOM 533 CD GLN A 33 4.884 -10.242 6.452 1.00 0.00 C ATOM 534 OE1 GLN A 33 5.244 -9.941 5.316 1.00 0.00 O ATOM 535 NE2 GLN A 33 4.908 -11.490 6.904 1.00 0.00 N ATOM 0 H GLN A 33 0.808 -8.386 7.645 1.00 0.00 H new ATOM 0 HA GLN A 33 3.119 -7.585 8.854 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.375 -9.183 6.699 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.403 -7.973 5.958 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.179 -8.462 7.599 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.150 -9.651 8.372 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.600 -11.694 7.855 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.235 -12.245 6.301 1.00 0.00 H new ATOM 544 N CYS A 34 2.358 -5.656 6.291 1.00 0.00 N ATOM 545 CA CYS A 34 2.553 -4.340 5.710 1.00 0.00 C ATOM 546 C CYS A 34 2.347 -3.285 6.793 1.00 0.00 C ATOM 547 O CYS A 34 3.123 -2.335 6.913 1.00 0.00 O ATOM 548 CB CYS A 34 1.565 -4.105 4.562 1.00 0.00 C ATOM 549 SG CYS A 34 2.030 -4.905 3.008 1.00 0.00 S ATOM 0 H CYS A 34 1.709 -6.252 5.777 1.00 0.00 H new ATOM 0 HA CYS A 34 3.565 -4.272 5.310 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.582 -4.467 4.864 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.472 -3.032 4.392 1.00 0.00 H new ATOM 0 HG CYS A 34 1.533 -6.106 2.973 1.00 0.00 H new ATOM 555 N ALA A 35 1.310 -3.491 7.609 1.00 0.00 N ATOM 556 CA ALA A 35 1.011 -2.582 8.710 1.00 0.00 C ATOM 557 C ALA A 35 2.198 -2.499 9.653 1.00 0.00 C ATOM 558 O ALA A 35 2.620 -1.416 10.056 1.00 0.00 O ATOM 559 CB ALA A 35 -0.238 -3.036 9.453 1.00 0.00 C ATOM 0 H ALA A 35 0.667 -4.278 7.526 1.00 0.00 H new ATOM 0 HA ALA A 35 0.820 -1.589 8.304 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.446 -2.346 10.271 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.085 -3.050 8.767 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.079 -4.037 9.854 1.00 0.00 H new ATOM 565 N GLY A 36 2.745 -3.660 9.971 1.00 0.00 N ATOM 566 CA GLY A 36 3.906 -3.729 10.837 1.00 0.00 C ATOM 567 C GLY A 36 5.159 -3.280 10.122 1.00 0.00 C ATOM 568 O GLY A 36 6.181 -2.998 10.748 1.00 0.00 O ATOM 0 H GLY A 36 2.404 -4.564 9.643 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.744 -3.104 11.715 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.035 -4.751 11.193 1.00 0.00 H new ATOM 572 N LYS A 37 5.070 -3.195 8.801 1.00 0.00 N ATOM 573 CA LYS A 37 6.184 -2.755 7.989 1.00 0.00 C ATOM 574 C LYS A 37 6.267 -1.233 8.004 1.00 0.00 C ATOM 575 O LYS A 37 7.295 -0.655 7.653 1.00 0.00 O ATOM 576 CB LYS A 37 6.044 -3.264 6.552 1.00 0.00 C ATOM 577 CG LYS A 37 5.921 -4.779 6.406 1.00 0.00 C ATOM 578 CD LYS A 37 6.494 -5.556 7.589 1.00 0.00 C ATOM 579 CE LYS A 37 7.400 -6.662 7.108 1.00 0.00 C ATOM 580 NZ LYS A 37 7.663 -7.676 8.167 1.00 0.00 N ATOM 0 H LYS A 37 4.230 -3.428 8.272 1.00 0.00 H new ATOM 0 HA LYS A 37 7.102 -3.167 8.407 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.166 -2.800 6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.909 -2.929 5.979 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.869 -5.040 6.286 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.433 -5.091 5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.049 -4.881 8.240 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.682 -5.976 8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.948 -7.150 6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.346 -6.235 6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.823 -8.604 7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.506 -7.400 8.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.844 -7.732 8.805 1.00 0.00 H new ATOM 594 N LEU A 38 5.171 -0.585 8.406 1.00 0.00 N ATOM 595 CA LEU A 38 5.128 0.871 8.455 1.00 0.00 C ATOM 596 C LEU A 38 5.644 1.408 9.788 1.00 0.00 C ATOM 597 O LEU A 38 6.058 2.563 9.877 1.00 0.00 O ATOM 598 CB LEU A 38 3.705 1.354 8.209 1.00 0.00 C ATOM 599 CG LEU A 38 3.315 1.466 6.737 1.00 0.00 C ATOM 600 CD1 LEU A 38 2.361 0.344 6.355 1.00 0.00 C ATOM 601 CD2 LEU A 38 2.697 2.827 6.460 1.00 0.00 C ATOM 0 H LEU A 38 4.309 -1.045 8.700 1.00 0.00 H new ATOM 0 HA LEU A 38 5.783 1.252 7.672 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.014 0.671 8.703 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.580 2.330 8.679 1.00 0.00 H new ATOM 0 HG LEU A 38 4.212 1.369 6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.092 0.437 5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.845 -0.618 6.522 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.461 0.408 6.966 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.423 2.895 5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.806 2.954 7.076 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.418 3.609 6.698 1.00 0.00 H new ATOM 613 N THR A 39 5.630 0.568 10.823 1.00 0.00 N ATOM 614 CA THR A 39 6.111 0.974 12.136 1.00 0.00 C ATOM 615 C THR A 39 7.464 1.598 11.999 1.00 0.00 C ATOM 616 O THR A 39 7.707 2.719 12.446 1.00 0.00 O ATOM 617 CB THR A 39 6.177 -0.217 13.075 1.00 0.00 C ATOM 618 OG1 THR A 39 7.372 -0.955 12.889 1.00 0.00 O ATOM 619 CG2 THR A 39 5.020 -1.170 12.927 1.00 0.00 C ATOM 0 H THR A 39 5.292 -0.393 10.775 1.00 0.00 H new ATOM 0 HA THR A 39 5.417 1.701 12.557 1.00 0.00 H new ATOM 0 HB THR A 39 6.139 0.218 14.074 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.217 -1.670 12.237 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.136 -1.995 13.630 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.087 -0.645 13.134 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.998 -1.560 11.910 1.00 0.00 H new ATOM 627 N ALA A 40 8.332 0.872 11.344 1.00 0.00 N ATOM 628 CA ALA A 40 9.666 1.361 11.099 1.00 0.00 C ATOM 629 C ALA A 40 9.645 2.491 10.072 1.00 0.00 C ATOM 630 O ALA A 40 10.621 2.691 9.351 1.00 0.00 O ATOM 631 CB ALA A 40 10.598 0.260 10.615 1.00 0.00 C ATOM 0 H ALA A 40 8.141 -0.058 10.971 1.00 0.00 H new ATOM 0 HA ALA A 40 10.044 1.735 12.050 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.592 0.674 10.443 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.657 -0.524 11.369 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.214 -0.159 9.685 1.00 0.00 H new ATOM 637 N SER A 41 8.532 3.232 9.994 1.00 0.00 N ATOM 638 CA SER A 41 8.423 4.324 9.041 1.00 0.00 C ATOM 639 C SER A 41 9.631 5.241 9.150 1.00 0.00 C ATOM 640 O SER A 41 10.003 5.905 8.181 1.00 0.00 O ATOM 641 CB SER A 41 7.122 5.098 9.256 1.00 0.00 C ATOM 642 OG SER A 41 6.909 5.369 10.631 1.00 0.00 O ATOM 0 H SER A 41 7.707 3.091 10.576 1.00 0.00 H new ATOM 0 HA SER A 41 8.401 3.908 8.034 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.156 6.034 8.699 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.284 4.523 8.862 1.00 0.00 H new ATOM 0 HG SER A 41 7.177 6.291 10.828 1.00 0.00 H new ATOM 648 N ASN A 42 10.284 5.230 10.316 1.00 0.00 N ATOM 649 CA ASN A 42 11.496 6.015 10.511 1.00 0.00 C ATOM 650 C ASN A 42 12.433 5.748 9.336 1.00 0.00 C ATOM 651 O ASN A 42 13.178 6.623 8.893 1.00 0.00 O ATOM 652 CB ASN A 42 12.170 5.621 11.822 1.00 0.00 C ATOM 653 CG ASN A 42 11.843 6.578 12.952 1.00 0.00 C ATOM 654 OD1 ASN A 42 11.441 6.160 14.037 1.00 0.00 O ATOM 655 ND2 ASN A 42 12.017 7.870 12.701 1.00 0.00 N ATOM 0 H ASN A 42 9.993 4.689 11.130 1.00 0.00 H new ATOM 0 HA ASN A 42 11.252 7.076 10.560 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.857 4.615 12.100 1.00 0.00 H new ATOM 0 HB3 ASN A 42 13.250 5.590 11.677 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.815 8.562 13.423 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.353 8.171 11.786 1.00 0.00 H new ATOM 662 N SER A 43 12.329 4.527 8.811 1.00 0.00 N ATOM 663 CA SER A 43 13.079 4.100 7.665 1.00 0.00 C ATOM 664 C SER A 43 12.157 4.185 6.464 1.00 0.00 C ATOM 665 O SER A 43 11.756 3.170 5.893 1.00 0.00 O ATOM 666 CB SER A 43 13.593 2.671 7.853 1.00 0.00 C ATOM 667 OG SER A 43 14.684 2.403 6.990 1.00 0.00 O ATOM 0 H SER A 43 11.709 3.809 9.186 1.00 0.00 H new ATOM 0 HA SER A 43 13.952 4.737 7.523 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.900 2.525 8.889 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.788 1.963 7.657 1.00 0.00 H new ATOM 0 HG SER A 43 14.995 1.484 7.131 1.00 0.00 H new ATOM 673 N GLU A 44 11.797 5.414 6.111 1.00 0.00 N ATOM 674 CA GLU A 44 10.886 5.657 5.004 1.00 0.00 C ATOM 675 C GLU A 44 11.414 5.030 3.734 1.00 0.00 C ATOM 676 O GLU A 44 10.657 4.704 2.829 1.00 0.00 O ATOM 677 CB GLU A 44 10.700 7.155 4.812 1.00 0.00 C ATOM 678 CG GLU A 44 11.861 7.829 4.107 1.00 0.00 C ATOM 679 CD GLU A 44 13.163 7.700 4.873 1.00 0.00 C ATOM 680 OE1 GLU A 44 13.288 8.333 5.943 1.00 0.00 O ATOM 681 OE2 GLU A 44 14.058 6.967 4.402 1.00 0.00 O ATOM 0 H GLU A 44 12.125 6.259 6.579 1.00 0.00 H new ATOM 0 HA GLU A 44 9.923 5.203 5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.789 7.328 4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.558 7.622 5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.982 7.392 3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.631 8.885 3.964 1.00 0.00 H new ATOM 688 N ASN A 45 12.715 4.838 3.691 1.00 0.00 N ATOM 689 CA ASN A 45 13.343 4.211 2.539 1.00 0.00 C ATOM 690 C ASN A 45 12.937 2.748 2.478 1.00 0.00 C ATOM 691 O ASN A 45 12.736 2.173 1.407 1.00 0.00 O ATOM 692 CB ASN A 45 14.867 4.338 2.619 1.00 0.00 C ATOM 693 CG ASN A 45 15.563 3.705 1.432 1.00 0.00 C ATOM 694 OD1 ASN A 45 15.711 4.326 0.379 1.00 0.00 O ATOM 695 ND2 ASN A 45 15.998 2.461 1.595 1.00 0.00 N ATOM 0 H ASN A 45 13.360 5.104 4.435 1.00 0.00 H new ATOM 0 HA ASN A 45 13.009 4.717 1.633 1.00 0.00 H new ATOM 0 HB2 ASN A 45 15.138 5.392 2.676 1.00 0.00 H new ATOM 0 HB3 ASN A 45 15.220 3.868 3.537 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.476 1.984 0.831 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.854 1.983 2.485 1.00 0.00 H new ATOM 702 N SER A 46 12.791 2.170 3.655 1.00 0.00 N ATOM 703 CA SER A 46 12.378 0.788 3.803 1.00 0.00 C ATOM 704 C SER A 46 10.868 0.684 3.687 1.00 0.00 C ATOM 705 O SER A 46 10.322 -0.307 3.199 1.00 0.00 O ATOM 706 CB SER A 46 12.849 0.257 5.151 1.00 0.00 C ATOM 707 OG SER A 46 12.133 -0.907 5.527 1.00 0.00 O ATOM 0 H SER A 46 12.957 2.649 4.540 1.00 0.00 H new ATOM 0 HA SER A 46 12.827 0.188 3.012 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.914 0.031 5.103 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.721 1.027 5.912 1.00 0.00 H new ATOM 0 HG SER A 46 12.458 -1.225 6.395 1.00 0.00 H new ATOM 713 N TYR A 47 10.211 1.749 4.119 1.00 0.00 N ATOM 714 CA TYR A 47 8.787 1.872 4.069 1.00 0.00 C ATOM 715 C TYR A 47 8.422 2.312 2.659 1.00 0.00 C ATOM 716 O TYR A 47 7.283 2.184 2.231 1.00 0.00 O ATOM 717 CB TYR A 47 8.351 2.840 5.184 1.00 0.00 C ATOM 718 CG TYR A 47 7.246 3.804 4.843 1.00 0.00 C ATOM 719 CD1 TYR A 47 7.381 4.689 3.794 1.00 0.00 C ATOM 720 CD2 TYR A 47 6.082 3.842 5.596 1.00 0.00 C ATOM 721 CE1 TYR A 47 6.380 5.590 3.488 1.00 0.00 C ATOM 722 CE2 TYR A 47 5.075 4.739 5.303 1.00 0.00 C ATOM 723 CZ TYR A 47 5.225 5.608 4.250 1.00 0.00 C ATOM 724 OH TYR A 47 4.219 6.496 3.961 1.00 0.00 O ATOM 0 H TYR A 47 10.676 2.563 4.521 1.00 0.00 H new ATOM 0 HA TYR A 47 8.257 0.938 4.257 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.035 2.250 6.044 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.222 3.416 5.495 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.284 4.677 3.202 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.962 3.159 6.424 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.498 6.275 2.661 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.174 4.758 5.898 1.00 0.00 H new ATOM 0 HH TYR A 47 3.481 6.372 4.594 1.00 0.00 H new ATOM 734 N ILE A 48 9.455 2.802 1.949 1.00 0.00 N ATOM 735 CA ILE A 48 9.365 3.250 0.564 1.00 0.00 C ATOM 736 C ILE A 48 9.270 2.047 -0.346 1.00 0.00 C ATOM 737 O ILE A 48 8.483 2.020 -1.289 1.00 0.00 O ATOM 738 CB ILE A 48 10.630 4.083 0.191 1.00 0.00 C ATOM 739 CG1 ILE A 48 10.386 5.591 0.320 1.00 0.00 C ATOM 740 CG2 ILE A 48 11.162 3.759 -1.208 1.00 0.00 C ATOM 741 CD1 ILE A 48 9.041 5.968 0.891 1.00 0.00 C ATOM 0 H ILE A 48 10.393 2.896 2.339 1.00 0.00 H new ATOM 0 HA ILE A 48 8.479 3.873 0.445 1.00 0.00 H new ATOM 0 HB ILE A 48 11.392 3.792 0.914 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.165 6.018 0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.488 6.047 -0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 48 12.042 4.368 -1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.431 2.704 -1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.392 3.974 -1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.960 7.054 0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.251 5.576 0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.939 5.547 1.891 1.00 0.00 H new ATOM 753 N GLU A 49 10.065 1.037 -0.038 1.00 0.00 N ATOM 754 CA GLU A 49 10.056 -0.175 -0.809 1.00 0.00 C ATOM 755 C GLU A 49 8.734 -0.839 -0.594 1.00 0.00 C ATOM 756 O GLU A 49 7.968 -1.024 -1.536 1.00 0.00 O ATOM 757 CB GLU A 49 11.216 -1.089 -0.408 1.00 0.00 C ATOM 758 CG GLU A 49 12.460 -0.328 0.028 1.00 0.00 C ATOM 759 CD GLU A 49 13.723 -0.851 -0.625 1.00 0.00 C ATOM 760 OE1 GLU A 49 13.799 -2.071 -0.880 1.00 0.00 O ATOM 761 OE2 GLU A 49 14.639 -0.040 -0.882 1.00 0.00 O ATOM 0 H GLU A 49 10.722 1.041 0.742 1.00 0.00 H new ATOM 0 HA GLU A 49 10.191 0.047 -1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.893 -1.739 0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.469 -1.733 -1.250 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.340 0.727 -0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.561 -0.395 1.111 1.00 0.00 H new ATOM 768 N VAL A 50 8.427 -1.128 0.664 1.00 0.00 N ATOM 769 CA VAL A 50 7.146 -1.703 0.980 1.00 0.00 C ATOM 770 C VAL A 50 6.054 -0.766 0.469 1.00 0.00 C ATOM 771 O VAL A 50 4.934 -1.188 0.185 1.00 0.00 O ATOM 772 CB VAL A 50 6.968 -1.971 2.490 1.00 0.00 C ATOM 773 CG1 VAL A 50 6.764 -0.676 3.258 1.00 0.00 C ATOM 774 CG2 VAL A 50 5.809 -2.926 2.727 1.00 0.00 C ATOM 0 H VAL A 50 9.042 -0.974 1.463 1.00 0.00 H new ATOM 0 HA VAL A 50 7.077 -2.674 0.490 1.00 0.00 H new ATOM 0 HB VAL A 50 7.882 -2.436 2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.642 -0.897 4.318 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.631 -0.030 3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.872 -0.170 2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.697 -3.104 3.797 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.891 -2.489 2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.007 -3.871 2.220 1.00 0.00 H new ATOM 784 N ILE A 51 6.415 0.515 0.325 1.00 0.00 N ATOM 785 CA ILE A 51 5.510 1.517 -0.183 1.00 0.00 C ATOM 786 C ILE A 51 5.319 1.328 -1.684 1.00 0.00 C ATOM 787 O ILE A 51 4.210 1.479 -2.216 1.00 0.00 O ATOM 788 CB ILE A 51 6.032 2.945 0.156 1.00 0.00 C ATOM 789 CG1 ILE A 51 4.990 3.671 0.992 1.00 0.00 C ATOM 790 CG2 ILE A 51 6.376 3.761 -1.085 1.00 0.00 C ATOM 791 CD1 ILE A 51 3.580 3.573 0.429 1.00 0.00 C ATOM 0 H ILE A 51 7.342 0.871 0.560 1.00 0.00 H new ATOM 0 HA ILE A 51 4.539 1.403 0.298 1.00 0.00 H new ATOM 0 HB ILE A 51 6.959 2.833 0.718 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.998 3.262 2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.268 4.722 1.071 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.734 4.746 -0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.153 3.250 -1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.487 3.872 -1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.891 4.114 1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.556 4.009 -0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.282 2.526 0.376 1.00 0.00 H new ATOM 803 N SER A 52 6.403 0.959 -2.367 1.00 0.00 N ATOM 804 CA SER A 52 6.327 0.725 -3.788 1.00 0.00 C ATOM 805 C SER A 52 5.585 -0.564 -4.030 1.00 0.00 C ATOM 806 O SER A 52 4.784 -0.682 -4.957 1.00 0.00 O ATOM 807 CB SER A 52 7.706 0.667 -4.428 1.00 0.00 C ATOM 808 OG SER A 52 7.614 0.557 -5.839 1.00 0.00 O ATOM 0 H SER A 52 7.326 0.820 -1.956 1.00 0.00 H new ATOM 0 HA SER A 52 5.795 1.558 -4.248 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.269 1.563 -4.167 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.259 -0.184 -4.030 1.00 0.00 H new ATOM 0 HG SER A 52 8.189 1.231 -6.258 1.00 0.00 H new ATOM 814 N LEU A 53 5.848 -1.530 -3.159 1.00 0.00 N ATOM 815 CA LEU A 53 5.197 -2.815 -3.242 1.00 0.00 C ATOM 816 C LEU A 53 3.713 -2.638 -3.006 1.00 0.00 C ATOM 817 O LEU A 53 2.910 -3.367 -3.549 1.00 0.00 O ATOM 818 CB LEU A 53 5.774 -3.804 -2.231 1.00 0.00 C ATOM 819 CG LEU A 53 7.233 -3.571 -1.877 1.00 0.00 C ATOM 820 CD1 LEU A 53 7.757 -4.684 -0.983 1.00 0.00 C ATOM 821 CD2 LEU A 53 8.078 -3.438 -3.133 1.00 0.00 C ATOM 0 H LEU A 53 6.510 -1.440 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 53 5.370 -3.224 -4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.181 -3.757 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.667 -4.813 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 53 7.303 -2.635 -1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.803 -4.496 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.174 -4.717 -0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.670 -5.639 -1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.119 -3.272 -2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.001 -4.352 -3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.721 -2.595 -3.724 1.00 0.00 H new ATOM 833 N LEU A 54 3.356 -1.651 -2.192 1.00 0.00 N ATOM 834 CA LEU A 54 1.957 -1.388 -1.903 1.00 0.00 C ATOM 835 C LEU A 54 1.180 -1.121 -3.176 1.00 0.00 C ATOM 836 O LEU A 54 0.216 -1.828 -3.479 1.00 0.00 O ATOM 837 CB LEU A 54 1.821 -0.224 -0.930 1.00 0.00 C ATOM 838 CG LEU A 54 1.818 -0.623 0.549 1.00 0.00 C ATOM 839 CD1 LEU A 54 0.442 -0.402 1.156 1.00 0.00 C ATOM 840 CD2 LEU A 54 2.251 -2.082 0.726 1.00 0.00 C ATOM 0 H LEU A 54 4.013 -1.026 -1.725 1.00 0.00 H new ATOM 0 HA LEU A 54 1.534 -2.277 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.641 0.474 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.896 0.310 -1.150 1.00 0.00 H new ATOM 0 HG LEU A 54 2.536 0.009 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.457 -0.690 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.172 0.651 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.292 -1.008 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.240 -2.339 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.563 -2.734 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.259 -2.213 0.331 1.00 0.00 H new ATOM 852 N SER A 55 1.609 -0.115 -3.931 1.00 0.00 N ATOM 853 CA SER A 55 0.940 0.212 -5.188 1.00 0.00 C ATOM 854 C SER A 55 1.233 -0.857 -6.244 1.00 0.00 C ATOM 855 O SER A 55 1.766 -0.563 -7.313 1.00 0.00 O ATOM 856 CB SER A 55 1.378 1.589 -5.689 1.00 0.00 C ATOM 857 OG SER A 55 2.470 2.086 -4.934 1.00 0.00 O ATOM 0 H SER A 55 2.404 0.481 -3.701 1.00 0.00 H new ATOM 0 HA SER A 55 -0.135 0.237 -5.008 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.659 1.524 -6.740 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.542 2.285 -5.625 1.00 0.00 H new ATOM 0 HG SER A 55 2.731 2.967 -5.276 1.00 0.00 H new ATOM 863 N ARG A 56 0.884 -2.103 -5.916 1.00 0.00 N ATOM 864 CA ARG A 56 1.100 -3.255 -6.791 1.00 0.00 C ATOM 865 C ARG A 56 1.073 -4.539 -5.969 1.00 0.00 C ATOM 866 O ARG A 56 0.679 -5.598 -6.451 1.00 0.00 O ATOM 867 CB ARG A 56 2.442 -3.149 -7.513 1.00 0.00 C ATOM 868 CG ARG A 56 3.606 -2.823 -6.589 1.00 0.00 C ATOM 869 CD ARG A 56 4.789 -2.250 -7.355 1.00 0.00 C ATOM 870 NE ARG A 56 4.687 -0.800 -7.521 1.00 0.00 N ATOM 871 CZ ARG A 56 4.180 -0.205 -8.599 1.00 0.00 C ATOM 872 NH1 ARG A 56 3.705 -0.925 -9.609 1.00 0.00 N ATOM 873 NH2 ARG A 56 4.144 1.119 -8.666 1.00 0.00 N ATOM 0 H ARG A 56 0.440 -2.341 -5.029 1.00 0.00 H new ATOM 0 HA ARG A 56 0.303 -3.272 -7.534 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.646 -4.090 -8.023 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.372 -2.379 -8.281 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.281 -2.108 -5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.916 -3.725 -6.062 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.712 -2.490 -6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.849 -2.723 -8.335 1.00 0.00 H new ATOM 0 HE ARG A 56 5.026 -0.207 -6.763 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.726 -1.944 -9.563 1.00 0.00 H new ATOM 0 HH12 ARG A 56 3.319 -0.459 -10.430 1.00 0.00 H new ATOM 0 HH21 ARG A 56 4.504 1.679 -7.893 1.00 0.00 H new ATOM 0 HH22 ARG A 56 3.756 1.578 -9.490 1.00 0.00 H new ATOM 887 N GLY A 57 1.513 -4.419 -4.723 1.00 0.00 N ATOM 888 CA GLY A 57 1.565 -5.547 -3.809 1.00 0.00 C ATOM 889 C GLY A 57 0.197 -6.050 -3.417 1.00 0.00 C ATOM 890 O GLY A 57 -0.021 -7.256 -3.304 1.00 0.00 O ATOM 0 H GLY A 57 1.842 -3.541 -4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.125 -6.358 -4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.110 -5.256 -2.911 1.00 0.00 H new ATOM 894 N ILE A 58 -0.722 -5.124 -3.194 1.00 0.00 N ATOM 895 CA ILE A 58 -2.071 -5.486 -2.795 1.00 0.00 C ATOM 896 C ILE A 58 -2.839 -6.140 -3.947 1.00 0.00 C ATOM 897 O ILE A 58 -3.920 -6.694 -3.742 1.00 0.00 O ATOM 898 CB ILE A 58 -2.854 -4.263 -2.228 1.00 0.00 C ATOM 899 CG1 ILE A 58 -3.971 -3.804 -3.167 1.00 0.00 C ATOM 900 CG2 ILE A 58 -1.921 -3.094 -1.926 1.00 0.00 C ATOM 901 CD1 ILE A 58 -4.884 -2.786 -2.532 1.00 0.00 C ATOM 0 H ILE A 58 -0.559 -4.121 -3.282 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.980 -6.219 -1.993 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.312 -4.599 -1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.530 -3.378 -4.068 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.558 -4.669 -3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.500 -2.259 -1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.180 -3.401 -1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.416 -2.786 -2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.657 -2.497 -3.244 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.350 -3.217 -1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.306 -1.907 -2.247 1.00 0.00 H new ATOM 913 N SER A 59 -2.281 -6.079 -5.155 1.00 0.00 N ATOM 914 CA SER A 59 -2.928 -6.670 -6.323 1.00 0.00 C ATOM 915 C SER A 59 -2.051 -7.737 -6.976 1.00 0.00 C ATOM 916 O SER A 59 -2.551 -8.640 -7.647 1.00 0.00 O ATOM 917 CB SER A 59 -3.268 -5.583 -7.345 1.00 0.00 C ATOM 918 OG SER A 59 -3.676 -6.149 -8.578 1.00 0.00 O ATOM 0 H SER A 59 -1.387 -5.628 -5.349 1.00 0.00 H new ATOM 0 HA SER A 59 -3.845 -7.151 -5.982 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.062 -4.947 -6.953 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.399 -4.945 -7.505 1.00 0.00 H new ATOM 0 HG SER A 59 -3.889 -5.433 -9.212 1.00 0.00 H new ATOM 924 N SER A 60 -0.744 -7.623 -6.783 1.00 0.00 N ATOM 925 CA SER A 60 0.205 -8.568 -7.358 1.00 0.00 C ATOM 926 C SER A 60 0.195 -9.892 -6.602 1.00 0.00 C ATOM 927 O SER A 60 0.476 -10.945 -7.174 1.00 0.00 O ATOM 928 CB SER A 60 1.616 -7.976 -7.349 1.00 0.00 C ATOM 929 OG SER A 60 2.571 -8.924 -7.793 1.00 0.00 O ATOM 0 H SER A 60 -0.315 -6.881 -6.230 1.00 0.00 H new ATOM 0 HA SER A 60 -0.099 -8.760 -8.387 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.648 -7.095 -7.991 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.868 -7.646 -6.341 1.00 0.00 H new ATOM 0 HG SER A 60 3.464 -8.520 -7.779 1.00 0.00 H new ATOM 935 N TYR A 61 -0.128 -9.832 -5.313 1.00 0.00 N ATOM 936 CA TYR A 61 -0.173 -11.028 -4.476 1.00 0.00 C ATOM 937 C TYR A 61 -0.964 -12.147 -5.150 1.00 0.00 C ATOM 938 O TYR A 61 -1.545 -11.952 -6.218 1.00 0.00 O ATOM 939 CB TYR A 61 -0.790 -10.697 -3.113 1.00 0.00 C ATOM 940 CG TYR A 61 -2.290 -10.491 -3.150 1.00 0.00 C ATOM 941 CD1 TYR A 61 -2.865 -9.571 -4.020 1.00 0.00 C ATOM 942 CD2 TYR A 61 -3.131 -11.217 -2.314 1.00 0.00 C ATOM 943 CE1 TYR A 61 -4.233 -9.381 -4.054 1.00 0.00 C ATOM 944 CE2 TYR A 61 -4.500 -11.031 -2.345 1.00 0.00 C ATOM 945 CZ TYR A 61 -5.045 -10.113 -3.216 1.00 0.00 C ATOM 946 OH TYR A 61 -6.408 -9.924 -3.246 1.00 0.00 O ATOM 0 H TYR A 61 -0.363 -8.968 -4.825 1.00 0.00 H new ATOM 0 HA TYR A 61 0.850 -11.375 -4.332 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.561 -11.504 -2.417 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.319 -9.795 -2.722 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.232 -8.996 -4.680 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.708 -11.937 -1.630 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.664 -8.662 -4.735 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.140 -11.603 -1.689 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.846 -10.746 -3.552 1.00 0.00 H new ATOM 956 N TYR A 62 -0.982 -13.317 -4.519 1.00 0.00 N ATOM 957 CA TYR A 62 -1.703 -14.469 -5.055 1.00 0.00 C ATOM 958 C TYR A 62 -3.113 -14.079 -5.489 1.00 0.00 C ATOM 959 O TYR A 62 -4.041 -14.061 -4.680 1.00 0.00 O ATOM 960 CB TYR A 62 -1.769 -15.583 -4.010 1.00 0.00 C ATOM 961 CG TYR A 62 -1.778 -16.973 -4.604 1.00 0.00 C ATOM 962 CD1 TYR A 62 -2.537 -17.264 -5.730 1.00 0.00 C ATOM 963 CD2 TYR A 62 -1.027 -17.996 -4.036 1.00 0.00 C ATOM 964 CE1 TYR A 62 -2.548 -18.533 -6.274 1.00 0.00 C ATOM 965 CE2 TYR A 62 -1.034 -19.268 -4.575 1.00 0.00 C ATOM 966 CZ TYR A 62 -1.796 -19.532 -5.694 1.00 0.00 C ATOM 967 OH TYR A 62 -1.805 -20.798 -6.232 1.00 0.00 O ATOM 0 H TYR A 62 -0.505 -13.494 -3.635 1.00 0.00 H new ATOM 0 HA TYR A 62 -1.162 -14.829 -5.930 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.916 -15.490 -3.338 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.666 -15.450 -3.406 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.128 -16.485 -6.188 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.429 -17.793 -3.160 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.143 -18.742 -7.150 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.445 -20.052 -4.122 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.221 -21.382 -5.704 1.00 0.00 H new ATOM 977 N LEU A 63 -3.265 -13.762 -6.770 1.00 0.00 N ATOM 978 CA LEU A 63 -4.558 -13.366 -7.313 1.00 0.00 C ATOM 979 C LEU A 63 -5.445 -14.585 -7.554 1.00 0.00 C ATOM 980 O LEU A 63 -5.641 -15.009 -8.694 1.00 0.00 O ATOM 981 CB LEU A 63 -4.369 -12.580 -8.613 1.00 0.00 C ATOM 982 CG LEU A 63 -4.590 -11.070 -8.494 1.00 0.00 C ATOM 983 CD1 LEU A 63 -4.077 -10.356 -9.735 1.00 0.00 C ATOM 984 CD2 LEU A 63 -6.063 -10.764 -8.271 1.00 0.00 C ATOM 0 H LEU A 63 -2.507 -13.772 -7.452 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.053 -12.725 -6.583 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.359 -12.756 -8.983 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.056 -12.975 -9.362 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.029 -10.706 -7.633 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.243 -9.284 -9.632 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.011 -10.549 -9.851 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.610 -10.723 -10.612 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.202 -9.686 -8.189 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.644 -11.142 -9.112 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.399 -11.245 -7.352 1.00 0.00 H new ATOM 996 N SER A 64 -5.982 -15.142 -6.473 1.00 0.00 N ATOM 997 CA SER A 64 -6.851 -16.309 -6.566 1.00 0.00 C ATOM 998 C SER A 64 -8.315 -15.906 -6.413 1.00 0.00 C ATOM 999 O SER A 64 -9.133 -16.677 -5.912 1.00 0.00 O ATOM 1000 CB SER A 64 -6.479 -17.336 -5.495 1.00 0.00 C ATOM 1001 OG SER A 64 -6.058 -16.700 -4.301 1.00 0.00 O ATOM 0 H SER A 64 -5.830 -14.804 -5.523 1.00 0.00 H new ATOM 0 HA SER A 64 -6.714 -16.757 -7.550 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.337 -17.975 -5.287 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.683 -17.981 -5.867 1.00 0.00 H new ATOM 0 HG SER A 64 -5.828 -17.379 -3.633 1.00 0.00 H new ATOM 1007 N HIS A 65 -8.636 -14.692 -6.850 1.00 0.00 N ATOM 1008 CA HIS A 65 -10.000 -14.184 -6.763 1.00 0.00 C ATOM 1009 C HIS A 65 -10.448 -13.603 -8.101 1.00 0.00 C ATOM 1010 O HIS A 65 -9.700 -13.623 -9.078 1.00 0.00 O ATOM 1011 CB HIS A 65 -10.103 -13.118 -5.670 1.00 0.00 C ATOM 1012 CG HIS A 65 -8.955 -12.156 -5.657 1.00 0.00 C ATOM 1013 ND1 HIS A 65 -8.913 -10.823 -5.894 1.00 0.00 N flip ATOM 1014 CD2 HIS A 65 -7.658 -12.534 -5.377 1.00 0.00 C flip ATOM 1015 CE1 HIS A 65 -7.607 -10.425 -5.752 1.00 0.00 C flip ATOM 1016 NE2 HIS A 65 -6.870 -11.476 -5.439 1.00 0.00 N flip ATOM 0 H HIS A 65 -7.970 -14.042 -7.268 1.00 0.00 H new ATOM 0 HA HIS A 65 -10.656 -15.017 -6.509 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.030 -12.561 -5.804 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.164 -13.610 -4.699 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -9.705 -10.226 -6.133 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.337 -13.538 -5.144 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.241 -9.416 -5.876 1.00 0.00 H new ATOM 1025 N LYS A 66 -11.673 -13.089 -8.137 1.00 0.00 N ATOM 1026 CA LYS A 66 -12.220 -12.505 -9.355 1.00 0.00 C ATOM 1027 C LYS A 66 -12.380 -10.994 -9.213 1.00 0.00 C ATOM 1028 O LYS A 66 -11.690 -10.222 -9.879 1.00 0.00 O ATOM 1029 CB LYS A 66 -13.569 -13.143 -9.690 1.00 0.00 C ATOM 1030 CG LYS A 66 -13.546 -14.663 -9.663 1.00 0.00 C ATOM 1031 CD LYS A 66 -13.415 -15.248 -11.062 1.00 0.00 C ATOM 1032 CE LYS A 66 -12.211 -16.169 -11.173 1.00 0.00 C ATOM 1033 NZ LYS A 66 -11.666 -16.206 -12.558 1.00 0.00 N ATOM 0 H LYS A 66 -12.305 -13.065 -7.337 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.520 -12.702 -10.167 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.316 -12.786 -8.981 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.884 -12.810 -10.679 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.714 -15.004 -9.047 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.460 -15.033 -9.198 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -14.321 -15.800 -11.312 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -13.324 -14.440 -11.788 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.434 -15.835 -10.486 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.495 -17.176 -10.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.846 -16.845 -12.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.399 -16.549 -13.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.371 -15.250 -12.841 1.00 0.00 H new ATOM 1047 N ARG A 67 -13.294 -10.579 -8.342 1.00 0.00 N ATOM 1048 CA ARG A 67 -13.543 -9.160 -8.116 1.00 0.00 C ATOM 1049 C ARG A 67 -13.800 -8.877 -6.639 1.00 0.00 C ATOM 1050 O ARG A 67 -14.540 -7.955 -6.294 1.00 0.00 O ATOM 1051 CB ARG A 67 -14.734 -8.691 -8.952 1.00 0.00 C ATOM 1052 CG ARG A 67 -14.356 -8.263 -10.361 1.00 0.00 C ATOM 1053 CD ARG A 67 -15.294 -8.859 -11.398 1.00 0.00 C ATOM 1054 NE ARG A 67 -14.854 -10.180 -11.840 1.00 0.00 N ATOM 1055 CZ ARG A 67 -15.429 -10.861 -12.829 1.00 0.00 C ATOM 1056 NH1 ARG A 67 -16.467 -10.349 -13.480 1.00 0.00 N ATOM 1057 NH2 ARG A 67 -14.965 -12.055 -13.169 1.00 0.00 N ATOM 0 H ARG A 67 -13.874 -11.204 -7.782 1.00 0.00 H new ATOM 0 HA ARG A 67 -12.653 -8.609 -8.421 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.467 -9.496 -9.010 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -15.217 -7.856 -8.445 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.380 -7.175 -10.430 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -13.333 -8.573 -10.574 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -16.298 -8.933 -10.979 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -15.356 -8.191 -12.257 1.00 0.00 H new ATOM 0 HE ARG A 67 -14.059 -10.606 -11.363 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -16.827 -9.430 -13.223 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -16.904 -10.875 -14.237 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -14.167 -12.452 -12.673 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -15.406 -12.577 -13.927 1.00 0.00 H new ATOM 1071 N ILE A 68 -13.185 -9.672 -5.770 1.00 0.00 N ATOM 1072 CA ILE A 68 -13.347 -9.502 -4.332 1.00 0.00 C ATOM 1073 C ILE A 68 -12.523 -8.323 -3.827 1.00 0.00 C ATOM 1074 O ILE A 68 -11.417 -8.499 -3.315 1.00 0.00 O ATOM 1075 CB ILE A 68 -12.934 -10.771 -3.563 1.00 0.00 C ATOM 1076 CG1 ILE A 68 -13.581 -12.007 -4.188 1.00 0.00 C ATOM 1077 CG2 ILE A 68 -13.319 -10.650 -2.095 1.00 0.00 C ATOM 1078 CD1 ILE A 68 -15.092 -12.013 -4.094 1.00 0.00 C ATOM 0 H ILE A 68 -12.570 -10.440 -6.037 1.00 0.00 H new ATOM 0 HA ILE A 68 -14.405 -9.310 -4.152 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.851 -10.880 -3.627 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.290 -12.068 -5.237 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -13.191 -12.899 -3.697 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -13.021 -11.554 -1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.814 -9.789 -1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -14.398 -10.520 -2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -15.482 -12.919 -4.558 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -15.391 -11.984 -3.046 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -15.492 -11.140 -4.610 1.00 0.00 H new ATOM 1090 N ILE A 69 -13.067 -7.119 -3.979 1.00 0.00 N ATOM 1091 CA ILE A 69 -12.381 -5.909 -3.543 1.00 0.00 C ATOM 1092 C ILE A 69 -13.258 -5.080 -2.605 1.00 0.00 C ATOM 1093 O ILE A 69 -14.284 -4.544 -3.022 1.00 0.00 O ATOM 1094 CB ILE A 69 -11.972 -5.036 -4.745 1.00 0.00 C ATOM 1095 CG1 ILE A 69 -11.247 -5.881 -5.794 1.00 0.00 C ATOM 1096 CG2 ILE A 69 -11.093 -3.881 -4.288 1.00 0.00 C ATOM 1097 CD1 ILE A 69 -9.954 -6.487 -5.294 1.00 0.00 C ATOM 0 H ILE A 69 -13.981 -6.956 -4.401 1.00 0.00 H new ATOM 0 HA ILE A 69 -11.487 -6.229 -3.009 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.874 -4.623 -5.198 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -11.909 -6.681 -6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -11.035 -5.261 -6.665 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -10.813 -3.274 -5.149 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -11.642 -3.267 -3.574 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -10.194 -4.274 -3.813 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -9.495 -7.072 -6.090 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -9.273 -5.692 -4.989 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -10.161 -7.134 -4.441 1.00 0.00 H new ATOM 1109 N PRO A 70 -12.865 -4.954 -1.322 1.00 0.00 N ATOM 1110 CA PRO A 70 -13.613 -4.182 -0.334 1.00 0.00 C ATOM 1111 C PRO A 70 -13.257 -2.704 -0.394 1.00 0.00 C ATOM 1112 O PRO A 70 -12.390 -2.306 -1.172 1.00 0.00 O ATOM 1113 CB PRO A 70 -13.157 -4.778 1.010 1.00 0.00 C ATOM 1114 CG PRO A 70 -12.105 -5.796 0.689 1.00 0.00 C ATOM 1115 CD PRO A 70 -11.663 -5.537 -0.723 1.00 0.00 C ATOM 0 HA PRO A 70 -14.689 -4.239 -0.496 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.759 -4.002 1.664 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.995 -5.238 1.535 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.264 -5.713 1.378 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.502 -6.806 0.790 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.815 -4.854 -0.765 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -11.359 -6.453 -1.229 1.00 0.00 H new ATOM 1123 N SER A 71 -13.895 -1.888 0.445 1.00 0.00 N ATOM 1124 CA SER A 71 -13.584 -0.463 0.479 1.00 0.00 C ATOM 1125 C SER A 71 -12.081 -0.306 0.651 1.00 0.00 C ATOM 1126 O SER A 71 -11.445 0.553 0.030 1.00 0.00 O ATOM 1127 CB SER A 71 -14.329 0.232 1.620 1.00 0.00 C ATOM 1128 OG SER A 71 -14.699 -0.696 2.626 1.00 0.00 O ATOM 0 H SER A 71 -14.619 -2.185 1.100 1.00 0.00 H new ATOM 0 HA SER A 71 -13.905 0.004 -0.452 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.697 1.009 2.051 1.00 0.00 H new ATOM 0 HB3 SER A 71 -15.219 0.725 1.230 1.00 0.00 H new ATOM 0 HG SER A 71 -15.172 -0.228 3.345 1.00 0.00 H new ATOM 1134 N SER A 72 -11.511 -1.193 1.464 1.00 0.00 N ATOM 1135 CA SER A 72 -10.080 -1.210 1.677 1.00 0.00 C ATOM 1136 C SER A 72 -9.415 -1.512 0.347 1.00 0.00 C ATOM 1137 O SER A 72 -10.102 -1.626 -0.666 1.00 0.00 O ATOM 1138 CB SER A 72 -9.701 -2.262 2.722 1.00 0.00 C ATOM 1139 OG SER A 72 -8.357 -2.683 2.567 1.00 0.00 O ATOM 0 H SER A 72 -12.025 -1.906 1.982 1.00 0.00 H new ATOM 0 HA SER A 72 -9.745 -0.244 2.054 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.842 -1.851 3.722 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.366 -3.121 2.633 1.00 0.00 H new ATOM 0 HG SER A 72 -8.251 -3.583 2.940 1.00 0.00 H new ATOM 1145 N MET A 73 -8.100 -1.630 0.331 1.00 0.00 N ATOM 1146 CA MET A 73 -7.389 -1.897 -0.909 1.00 0.00 C ATOM 1147 C MET A 73 -7.486 -0.668 -1.804 1.00 0.00 C ATOM 1148 O MET A 73 -6.489 -0.014 -2.111 1.00 0.00 O ATOM 1149 CB MET A 73 -7.982 -3.118 -1.623 1.00 0.00 C ATOM 1150 CG MET A 73 -8.136 -4.334 -0.724 1.00 0.00 C ATOM 1151 SD MET A 73 -6.658 -5.365 -0.684 1.00 0.00 S ATOM 1152 CE MET A 73 -5.661 -4.484 0.516 1.00 0.00 C ATOM 0 H MET A 73 -7.505 -1.546 1.155 1.00 0.00 H new ATOM 0 HA MET A 73 -6.344 -2.113 -0.686 1.00 0.00 H new ATOM 0 HB2 MET A 73 -8.957 -2.852 -2.030 1.00 0.00 H new ATOM 0 HB3 MET A 73 -7.345 -3.380 -2.468 1.00 0.00 H new ATOM 0 HG2 MET A 73 -8.371 -4.004 0.288 1.00 0.00 H new ATOM 0 HG3 MET A 73 -8.980 -4.931 -1.069 1.00 0.00 H new ATOM 0 HE1 MET A 73 -4.846 -3.971 0.006 1.00 0.00 H new ATOM 0 HE2 MET A 73 -6.280 -3.753 1.037 1.00 0.00 H new ATOM 0 HE3 MET A 73 -5.250 -5.191 1.237 1.00 0.00 H new ATOM 1162 N LEU A 74 -8.717 -0.356 -2.185 1.00 0.00 N ATOM 1163 CA LEU A 74 -9.027 0.797 -3.010 1.00 0.00 C ATOM 1164 C LEU A 74 -8.594 2.084 -2.317 1.00 0.00 C ATOM 1165 O LEU A 74 -8.109 3.012 -2.959 1.00 0.00 O ATOM 1166 CB LEU A 74 -10.534 0.830 -3.256 1.00 0.00 C ATOM 1167 CG LEU A 74 -10.977 1.237 -4.660 1.00 0.00 C ATOM 1168 CD1 LEU A 74 -12.478 1.490 -4.681 1.00 0.00 C ATOM 1169 CD2 LEU A 74 -10.214 2.468 -5.128 1.00 0.00 C ATOM 0 H LEU A 74 -9.536 -0.905 -1.925 1.00 0.00 H new ATOM 0 HA LEU A 74 -8.490 0.719 -3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.938 -0.159 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.983 1.519 -2.541 1.00 0.00 H new ATOM 0 HG LEU A 74 -10.753 0.422 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -12.784 1.780 -5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -13.004 0.581 -4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.722 2.291 -3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -10.544 2.742 -6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.404 3.296 -4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -9.146 2.250 -5.145 1.00 0.00 H new ATOM 1181 N THR A 75 -8.784 2.138 -1.003 1.00 0.00 N ATOM 1182 CA THR A 75 -8.421 3.314 -0.236 1.00 0.00 C ATOM 1183 C THR A 75 -6.931 3.318 0.080 1.00 0.00 C ATOM 1184 O THR A 75 -6.262 4.335 -0.065 1.00 0.00 O ATOM 1185 CB THR A 75 -9.255 3.383 1.056 1.00 0.00 C ATOM 1186 OG1 THR A 75 -9.720 4.701 1.280 1.00 0.00 O ATOM 1187 CG2 THR A 75 -8.510 2.945 2.302 1.00 0.00 C ATOM 0 H THR A 75 -9.187 1.380 -0.452 1.00 0.00 H new ATOM 0 HA THR A 75 -8.637 4.198 -0.836 1.00 0.00 H new ATOM 0 HB THR A 75 -10.077 2.686 0.892 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.249 4.725 2.104 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.169 3.024 3.167 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.185 1.911 2.187 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.640 3.585 2.449 1.00 0.00 H new ATOM 1195 N ILE A 76 -6.423 2.175 0.520 1.00 0.00 N ATOM 1196 CA ILE A 76 -5.016 2.055 0.866 1.00 0.00 C ATOM 1197 C ILE A 76 -4.122 2.267 -0.353 1.00 0.00 C ATOM 1198 O ILE A 76 -3.436 3.283 -0.464 1.00 0.00 O ATOM 1199 CB ILE A 76 -4.717 0.682 1.505 1.00 0.00 C ATOM 1200 CG1 ILE A 76 -5.352 0.608 2.894 1.00 0.00 C ATOM 1201 CG2 ILE A 76 -3.215 0.429 1.586 1.00 0.00 C ATOM 1202 CD1 ILE A 76 -6.627 -0.204 2.935 1.00 0.00 C ATOM 0 H ILE A 76 -6.964 1.320 0.645 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.796 2.836 1.594 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.149 -0.095 0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -4.633 0.176 3.590 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.564 1.619 3.242 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.034 -0.545 2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.788 0.447 0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.748 1.205 2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.021 -0.212 3.951 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.363 0.240 2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.418 -1.226 2.619 1.00 0.00 H new ATOM 1214 N TYR A 77 -4.138 1.302 -1.264 1.00 0.00 N ATOM 1215 CA TYR A 77 -3.335 1.368 -2.486 1.00 0.00 C ATOM 1216 C TYR A 77 -3.438 2.742 -3.127 1.00 0.00 C ATOM 1217 O TYR A 77 -2.497 3.220 -3.753 1.00 0.00 O ATOM 1218 CB TYR A 77 -3.831 0.307 -3.473 1.00 0.00 C ATOM 1219 CG TYR A 77 -3.080 0.241 -4.785 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -3.040 1.326 -5.655 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -2.422 -0.922 -5.162 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -2.364 1.252 -6.857 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -1.745 -1.004 -6.362 1.00 0.00 C ATOM 1224 CZ TYR A 77 -1.718 0.086 -7.206 1.00 0.00 C ATOM 1225 OH TYR A 77 -1.041 0.008 -8.404 1.00 0.00 O ATOM 0 H TYR A 77 -4.702 0.456 -1.181 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.292 1.183 -2.229 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -3.773 -0.669 -2.991 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.883 0.496 -3.685 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.546 2.241 -5.386 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.440 -1.778 -4.504 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.342 2.104 -7.520 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.239 -1.917 -6.638 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.641 -0.882 -8.496 1.00 0.00 H new ATOM 1235 N THR A 78 -4.592 3.364 -2.984 1.00 0.00 N ATOM 1236 CA THR A 78 -4.811 4.677 -3.556 1.00 0.00 C ATOM 1237 C THR A 78 -4.303 5.760 -2.615 1.00 0.00 C ATOM 1238 O THR A 78 -3.804 6.801 -3.046 1.00 0.00 O ATOM 1239 CB THR A 78 -6.289 4.875 -3.870 1.00 0.00 C ATOM 1240 OG1 THR A 78 -6.775 3.801 -4.656 1.00 0.00 O ATOM 1241 CG2 THR A 78 -6.557 6.144 -4.630 1.00 0.00 C ATOM 0 H THR A 78 -5.391 2.982 -2.478 1.00 0.00 H new ATOM 0 HA THR A 78 -4.251 4.752 -4.488 1.00 0.00 H new ATOM 0 HB THR A 78 -6.795 4.924 -2.906 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.605 3.458 -4.264 1.00 0.00 H new ATOM 0 HG21 THR A 78 -7.626 6.232 -4.826 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.224 6.998 -4.040 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.016 6.123 -5.576 1.00 0.00 H new ATOM 1249 N GLN A 79 -4.429 5.495 -1.325 1.00 0.00 N ATOM 1250 CA GLN A 79 -3.984 6.429 -0.301 1.00 0.00 C ATOM 1251 C GLN A 79 -2.483 6.662 -0.398 1.00 0.00 C ATOM 1252 O GLN A 79 -2.011 7.788 -0.243 1.00 0.00 O ATOM 1253 CB GLN A 79 -4.342 5.908 1.090 1.00 0.00 C ATOM 1254 CG GLN A 79 -5.704 6.371 1.576 1.00 0.00 C ATOM 1255 CD GLN A 79 -5.661 7.747 2.211 1.00 0.00 C ATOM 1256 OE1 GLN A 79 -5.573 7.877 3.432 1.00 0.00 O ATOM 1257 NE2 GLN A 79 -5.724 8.783 1.383 1.00 0.00 N ATOM 0 H GLN A 79 -4.838 4.635 -0.959 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.494 7.378 -0.465 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.320 4.818 1.078 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -3.581 6.235 1.799 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.400 6.384 0.737 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.091 5.653 2.299 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.796 8.628 0.377 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.700 9.733 1.753 1.00 0.00 H new ATOM 1266 N ILE A 80 -1.732 5.597 -0.668 1.00 0.00 N ATOM 1267 CA ILE A 80 -0.294 5.706 -0.794 1.00 0.00 C ATOM 1268 C ILE A 80 0.066 6.701 -1.860 1.00 0.00 C ATOM 1269 O ILE A 80 0.849 7.616 -1.627 1.00 0.00 O ATOM 1270 CB ILE A 80 0.363 4.372 -1.148 1.00 0.00 C ATOM 1271 CG1 ILE A 80 -0.480 3.546 -2.098 1.00 0.00 C ATOM 1272 CG2 ILE A 80 0.615 3.592 0.093 1.00 0.00 C ATOM 1273 CD1 ILE A 80 0.170 3.326 -3.431 1.00 0.00 C ATOM 0 H ILE A 80 -2.100 4.655 -0.802 1.00 0.00 H new ATOM 0 HA ILE A 80 0.075 6.031 0.179 1.00 0.00 H new ATOM 0 HB ILE A 80 1.302 4.598 -1.653 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.689 2.579 -1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.439 4.042 -2.247 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.083 2.642 -0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.276 4.157 0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.330 3.405 0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.487 2.728 -4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.355 4.288 -3.909 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.116 2.802 -3.293 1.00 0.00 H new ATOM 1285 N GLN A 81 -0.520 6.527 -3.035 1.00 0.00 N ATOM 1286 CA GLN A 81 -0.257 7.433 -4.127 1.00 0.00 C ATOM 1287 C GLN A 81 -0.646 8.846 -3.710 1.00 0.00 C ATOM 1288 O GLN A 81 -0.148 9.831 -4.252 1.00 0.00 O ATOM 1289 CB GLN A 81 -1.025 7.015 -5.382 1.00 0.00 C ATOM 1290 CG GLN A 81 -0.427 5.812 -6.092 1.00 0.00 C ATOM 1291 CD GLN A 81 -0.539 5.914 -7.601 1.00 0.00 C ATOM 1292 OE1 GLN A 81 -0.685 7.005 -8.152 1.00 0.00 O ATOM 1293 NE2 GLN A 81 -0.472 4.773 -8.278 1.00 0.00 N ATOM 0 H GLN A 81 -1.173 5.773 -3.249 1.00 0.00 H new ATOM 0 HA GLN A 81 0.806 7.403 -4.365 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.055 6.789 -5.108 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.057 7.856 -6.075 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.623 5.715 -5.814 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.931 4.907 -5.754 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.350 3.891 -7.780 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.542 4.779 -9.296 1.00 0.00 H new ATOM 1302 N LYS A 82 -1.534 8.924 -2.716 1.00 0.00 N ATOM 1303 CA LYS A 82 -1.994 10.193 -2.186 1.00 0.00 C ATOM 1304 C LYS A 82 -0.939 10.802 -1.304 1.00 0.00 C ATOM 1305 O LYS A 82 -0.573 11.949 -1.477 1.00 0.00 O ATOM 1306 CB LYS A 82 -3.290 10.015 -1.400 1.00 0.00 C ATOM 1307 CG LYS A 82 -4.458 10.749 -2.014 1.00 0.00 C ATOM 1308 CD LYS A 82 -4.965 10.025 -3.250 1.00 0.00 C ATOM 1309 CE LYS A 82 -6.393 9.538 -3.069 1.00 0.00 C ATOM 1310 NZ LYS A 82 -7.270 10.594 -2.494 1.00 0.00 N ATOM 0 H LYS A 82 -1.948 8.109 -2.263 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.187 10.862 -3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.528 8.953 -1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.141 10.369 -0.380 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -5.262 10.836 -1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.157 11.762 -2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.914 10.693 -4.110 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.316 9.177 -3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.792 9.218 -4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.399 8.665 -2.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -8.236 10.480 -2.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.281 10.510 -1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.906 11.531 -2.761 1.00 0.00 H new ATOM 1324 N ASP A 83 -0.425 10.017 -0.382 1.00 0.00 N ATOM 1325 CA ASP A 83 0.631 10.491 0.489 1.00 0.00 C ATOM 1326 C ASP A 83 1.844 10.773 -0.380 1.00 0.00 C ATOM 1327 O ASP A 83 2.592 11.727 -0.167 1.00 0.00 O ATOM 1328 CB ASP A 83 0.972 9.438 1.538 1.00 0.00 C ATOM 1329 CG ASP A 83 -0.015 9.426 2.689 1.00 0.00 C ATOM 1330 OD1 ASP A 83 -1.221 9.222 2.435 1.00 0.00 O ATOM 1331 OD2 ASP A 83 0.418 9.620 3.845 1.00 0.00 O ATOM 0 H ASP A 83 -0.718 9.054 -0.216 1.00 0.00 H new ATOM 0 HA ASP A 83 0.313 11.392 1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.990 8.454 1.069 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.974 9.625 1.924 1.00 0.00 H new ATOM 1336 N ILE A 84 1.986 9.922 -1.386 1.00 0.00 N ATOM 1337 CA ILE A 84 3.049 10.015 -2.361 1.00 0.00 C ATOM 1338 C ILE A 84 3.016 11.376 -3.052 1.00 0.00 C ATOM 1339 O ILE A 84 3.979 12.140 -3.005 1.00 0.00 O ATOM 1340 CB ILE A 84 2.883 8.871 -3.410 1.00 0.00 C ATOM 1341 CG1 ILE A 84 3.949 7.800 -3.247 1.00 0.00 C ATOM 1342 CG2 ILE A 84 2.929 9.414 -4.818 1.00 0.00 C ATOM 1343 CD1 ILE A 84 4.296 7.547 -1.819 1.00 0.00 C ATOM 0 H ILE A 84 1.353 9.138 -1.545 1.00 0.00 H new ATOM 0 HA ILE A 84 4.011 9.910 -1.859 1.00 0.00 H new ATOM 0 HB ILE A 84 1.907 8.419 -3.231 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.600 6.873 -3.702 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.847 8.101 -3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.811 8.595 -5.528 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.122 10.134 -4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.887 9.906 -4.987 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.062 6.773 -1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.673 8.465 -1.368 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.407 7.218 -1.281 1.00 0.00 H new ATOM 1355 N LYS A 85 1.897 11.649 -3.710 1.00 0.00 N ATOM 1356 CA LYS A 85 1.708 12.888 -4.440 1.00 0.00 C ATOM 1357 C LYS A 85 1.436 14.053 -3.513 1.00 0.00 C ATOM 1358 O LYS A 85 1.722 15.206 -3.839 1.00 0.00 O ATOM 1359 CB LYS A 85 0.540 12.737 -5.403 1.00 0.00 C ATOM 1360 CG LYS A 85 0.930 12.950 -6.847 1.00 0.00 C ATOM 1361 CD LYS A 85 1.845 11.836 -7.338 1.00 0.00 C ATOM 1362 CE LYS A 85 3.319 12.149 -7.114 1.00 0.00 C ATOM 1363 NZ LYS A 85 3.634 13.589 -7.332 1.00 0.00 N ATOM 0 H LYS A 85 1.098 11.016 -3.751 1.00 0.00 H new ATOM 0 HA LYS A 85 2.629 13.095 -4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.112 11.741 -5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.239 13.451 -5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.034 12.989 -7.467 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.433 13.911 -6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.592 10.909 -6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.670 11.669 -8.401 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.597 11.869 -6.098 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.923 11.542 -7.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.641 13.692 -7.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.054 13.957 -8.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.428 14.125 -6.465 1.00 0.00 H new ATOM 1377 N ASN A 86 0.852 13.747 -2.375 1.00 0.00 N ATOM 1378 CA ASN A 86 0.501 14.783 -1.411 1.00 0.00 C ATOM 1379 C ASN A 86 1.737 15.388 -0.760 1.00 0.00 C ATOM 1380 O ASN A 86 1.670 16.464 -0.167 1.00 0.00 O ATOM 1381 CB ASN A 86 -0.445 14.239 -0.336 1.00 0.00 C ATOM 1382 CG ASN A 86 -0.815 15.285 0.699 1.00 0.00 C ATOM 1383 OD1 ASN A 86 0.073 15.507 1.660 1.00 0.00 O flip ATOM 1384 ND2 ASN A 86 -1.888 15.885 0.635 1.00 0.00 N flip ATOM 0 H ASN A 86 0.609 12.798 -2.090 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.012 15.571 -1.963 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -1.353 13.866 -0.811 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.026 13.391 0.162 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.541 15.682 -0.122 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.124 16.585 1.339 1.00 0.00 H new ATOM 1391 N GLY A 87 2.860 14.690 -0.861 1.00 0.00 N ATOM 1392 CA GLY A 87 4.078 15.183 -0.261 1.00 0.00 C ATOM 1393 C GLY A 87 4.255 14.657 1.144 1.00 0.00 C ATOM 1394 O GLY A 87 4.797 15.341 2.012 1.00 0.00 O ATOM 0 H GLY A 87 2.947 13.797 -1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.931 14.887 -0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.061 16.273 -0.243 1.00 0.00 H new ATOM 1398 N ASN A 88 3.813 13.424 1.357 1.00 0.00 N ATOM 1399 CA ASN A 88 3.937 12.781 2.645 1.00 0.00 C ATOM 1400 C ASN A 88 5.105 11.822 2.583 1.00 0.00 C ATOM 1401 O ASN A 88 5.804 11.587 3.568 1.00 0.00 O ATOM 1402 CB ASN A 88 2.650 12.039 3.011 1.00 0.00 C ATOM 1403 CG ASN A 88 1.598 12.958 3.601 1.00 0.00 C ATOM 1404 OD1 ASN A 88 0.609 13.289 2.947 1.00 0.00 O ATOM 1405 ND2 ASN A 88 1.807 13.378 4.844 1.00 0.00 N ATOM 0 H ASN A 88 3.363 12.851 0.643 1.00 0.00 H new ATOM 0 HA ASN A 88 4.109 13.531 3.417 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.248 11.555 2.121 1.00 0.00 H new ATOM 0 HB3 ASN A 88 2.880 11.249 3.726 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.134 13.999 5.292 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.641 13.079 5.350 1.00 0.00 H new ATOM 1412 N ILE A 89 5.305 11.287 1.388 1.00 0.00 N ATOM 1413 CA ILE A 89 6.361 10.372 1.105 1.00 0.00 C ATOM 1414 C ILE A 89 7.416 11.090 0.290 1.00 0.00 C ATOM 1415 O ILE A 89 7.150 12.155 -0.269 1.00 0.00 O ATOM 1416 CB ILE A 89 5.791 9.228 0.278 1.00 0.00 C ATOM 1417 CG1 ILE A 89 4.570 8.589 0.957 1.00 0.00 C ATOM 1418 CG2 ILE A 89 6.858 8.221 0.022 1.00 0.00 C ATOM 1419 CD1 ILE A 89 4.626 8.566 2.467 1.00 0.00 C ATOM 0 H ILE A 89 4.716 11.492 0.581 1.00 0.00 H new ATOM 0 HA ILE A 89 6.798 9.991 2.028 1.00 0.00 H new ATOM 0 HB ILE A 89 5.444 9.627 -0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.675 9.130 0.649 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.464 7.566 0.595 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.450 7.402 -0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.678 8.690 -0.523 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.228 7.834 0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.723 8.097 2.857 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.498 7.998 2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.697 9.586 2.844 1.00 0.00 H new ATOM 1431 N ASP A 90 8.594 10.509 0.188 1.00 0.00 N ATOM 1432 CA ASP A 90 9.636 11.115 -0.602 1.00 0.00 C ATOM 1433 C ASP A 90 9.824 10.277 -1.837 1.00 0.00 C ATOM 1434 O ASP A 90 10.782 9.518 -1.964 1.00 0.00 O ATOM 1435 CB ASP A 90 10.938 11.265 0.189 1.00 0.00 C ATOM 1436 CG ASP A 90 11.286 12.717 0.454 1.00 0.00 C ATOM 1437 OD1 ASP A 90 10.356 13.514 0.703 1.00 0.00 O ATOM 1438 OD2 ASP A 90 12.486 13.058 0.413 1.00 0.00 O ATOM 0 H ASP A 90 8.848 9.629 0.637 1.00 0.00 H new ATOM 0 HA ASP A 90 9.345 12.127 -0.883 1.00 0.00 H new ATOM 0 HB2 ASP A 90 10.847 10.736 1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.752 10.793 -0.362 1.00 0.00 H new ATOM 1443 N THR A 91 8.867 10.412 -2.742 1.00 0.00 N ATOM 1444 CA THR A 91 8.876 9.658 -3.976 1.00 0.00 C ATOM 1445 C THR A 91 10.212 9.782 -4.690 1.00 0.00 C ATOM 1446 O THR A 91 10.532 8.978 -5.562 1.00 0.00 O ATOM 1447 CB THR A 91 7.722 10.088 -4.869 1.00 0.00 C ATOM 1448 OG1 THR A 91 7.018 11.180 -4.305 1.00 0.00 O ATOM 1449 CG2 THR A 91 6.736 8.976 -5.107 1.00 0.00 C ATOM 0 H THR A 91 8.071 11.042 -2.639 1.00 0.00 H new ATOM 0 HA THR A 91 8.740 8.604 -3.734 1.00 0.00 H new ATOM 0 HB THR A 91 8.174 10.376 -5.818 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.283 11.437 -4.900 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.932 9.334 -5.750 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.241 8.139 -5.589 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.320 8.648 -4.154 1.00 0.00 H new ATOM 1457 N GLU A 92 11.010 10.760 -4.284 1.00 0.00 N ATOM 1458 CA GLU A 92 12.324 10.932 -4.854 1.00 0.00 C ATOM 1459 C GLU A 92 13.188 9.773 -4.404 1.00 0.00 C ATOM 1460 O GLU A 92 13.983 9.236 -5.171 1.00 0.00 O ATOM 1461 CB GLU A 92 12.940 12.259 -4.411 1.00 0.00 C ATOM 1462 CG GLU A 92 11.921 13.373 -4.225 1.00 0.00 C ATOM 1463 CD GLU A 92 12.535 14.753 -4.353 1.00 0.00 C ATOM 1464 OE1 GLU A 92 12.975 15.105 -5.468 1.00 0.00 O ATOM 1465 OE2 GLU A 92 12.576 15.482 -3.339 1.00 0.00 O ATOM 0 H GLU A 92 10.765 11.440 -3.564 1.00 0.00 H new ATOM 0 HA GLU A 92 12.254 10.950 -5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.474 12.107 -3.473 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.677 12.572 -5.150 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.128 13.262 -4.965 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.457 13.276 -3.244 1.00 0.00 H new ATOM 1472 N LYS A 93 12.982 9.363 -3.157 1.00 0.00 N ATOM 1473 CA LYS A 93 13.701 8.239 -2.606 1.00 0.00 C ATOM 1474 C LYS A 93 13.152 6.974 -3.234 1.00 0.00 C ATOM 1475 O LYS A 93 13.900 6.110 -3.691 1.00 0.00 O ATOM 1476 CB LYS A 93 13.625 8.240 -1.070 1.00 0.00 C ATOM 1477 CG LYS A 93 12.415 7.528 -0.481 1.00 0.00 C ATOM 1478 CD LYS A 93 11.689 8.354 0.571 1.00 0.00 C ATOM 1479 CE LYS A 93 12.645 9.161 1.424 1.00 0.00 C ATOM 1480 NZ LYS A 93 13.805 8.350 1.887 1.00 0.00 N ATOM 0 H LYS A 93 12.320 9.798 -2.514 1.00 0.00 H new ATOM 0 HA LYS A 93 14.763 8.304 -2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.528 7.773 -0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.623 9.273 -0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.720 7.281 -1.284 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.736 6.586 -0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.986 9.027 0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.104 7.692 1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.006 10.016 0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.112 9.557 2.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.071 8.642 2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.545 7.343 1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.610 8.498 1.246 1.00 0.00 H new ATOM 1494 N LEU A 94 11.830 6.912 -3.316 1.00 0.00 N ATOM 1495 CA LEU A 94 11.151 5.817 -3.951 1.00 0.00 C ATOM 1496 C LEU A 94 11.696 5.615 -5.342 1.00 0.00 C ATOM 1497 O LEU A 94 12.072 4.511 -5.730 1.00 0.00 O ATOM 1498 CB LEU A 94 9.685 6.163 -4.035 1.00 0.00 C ATOM 1499 CG LEU A 94 8.873 5.631 -2.884 1.00 0.00 C ATOM 1500 CD1 LEU A 94 7.889 6.678 -2.391 1.00 0.00 C ATOM 1501 CD2 LEU A 94 8.177 4.350 -3.302 1.00 0.00 C ATOM 0 H LEU A 94 11.207 7.627 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 94 11.298 4.901 -3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.578 7.247 -4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.280 5.769 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 94 9.535 5.400 -2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.313 6.273 -1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.434 7.561 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.213 6.952 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.590 3.966 -2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.518 4.553 -4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.922 3.609 -3.592 1.00 0.00 H new ATOM 1513 N ARG A 95 11.731 6.707 -6.091 1.00 0.00 N ATOM 1514 CA ARG A 95 12.225 6.681 -7.450 1.00 0.00 C ATOM 1515 C ARG A 95 13.555 5.965 -7.552 1.00 0.00 C ATOM 1516 O ARG A 95 13.728 5.106 -8.408 1.00 0.00 O ATOM 1517 CB ARG A 95 12.358 8.102 -7.992 1.00 0.00 C ATOM 1518 CG ARG A 95 11.710 8.281 -9.348 1.00 0.00 C ATOM 1519 CD ARG A 95 12.430 9.330 -10.182 1.00 0.00 C ATOM 1520 NE ARG A 95 11.503 10.296 -10.765 1.00 0.00 N ATOM 1521 CZ ARG A 95 11.799 11.073 -11.804 1.00 0.00 C ATOM 1522 NH1 ARG A 95 12.996 11.004 -12.374 1.00 0.00 N ATOM 1523 NH2 ARG A 95 10.897 11.924 -12.273 1.00 0.00 N ATOM 0 H ARG A 95 11.420 7.625 -5.774 1.00 0.00 H new ATOM 0 HA ARG A 95 11.501 6.129 -8.050 1.00 0.00 H new ATOM 0 HB2 ARG A 95 11.907 8.798 -7.285 1.00 0.00 H new ATOM 0 HB3 ARG A 95 13.415 8.360 -8.063 1.00 0.00 H new ATOM 0 HG2 ARG A 95 11.711 7.330 -9.880 1.00 0.00 H new ATOM 0 HG3 ARG A 95 10.668 8.572 -9.218 1.00 0.00 H new ATOM 0 HD2 ARG A 95 13.155 9.854 -9.559 1.00 0.00 H new ATOM 0 HD3 ARG A 95 12.990 8.839 -10.978 1.00 0.00 H new ATOM 0 HE ARG A 95 10.574 10.380 -10.352 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.695 10.353 -12.016 1.00 0.00 H new ATOM 0 HH12 ARG A 95 13.217 11.602 -13.170 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.977 11.983 -11.837 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.124 12.520 -13.069 1.00 0.00 H new ATOM 1537 N LYS A 96 14.485 6.317 -6.673 1.00 0.00 N ATOM 1538 CA LYS A 96 15.810 5.706 -6.674 1.00 0.00 C ATOM 1539 C LYS A 96 15.694 4.197 -6.628 1.00 0.00 C ATOM 1540 O LYS A 96 16.182 3.482 -7.510 1.00 0.00 O ATOM 1541 CB LYS A 96 16.640 6.195 -5.484 1.00 0.00 C ATOM 1542 CG LYS A 96 16.665 7.707 -5.319 1.00 0.00 C ATOM 1543 CD LYS A 96 16.950 8.412 -6.635 1.00 0.00 C ATOM 1544 CE LYS A 96 16.123 9.674 -6.782 1.00 0.00 C ATOM 1545 NZ LYS A 96 16.833 10.717 -7.572 1.00 0.00 N ATOM 0 H LYS A 96 14.347 7.023 -5.950 1.00 0.00 H new ATOM 0 HA LYS A 96 16.314 6.000 -7.595 1.00 0.00 H new ATOM 0 HB2 LYS A 96 16.245 5.748 -4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 96 17.663 5.836 -5.597 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.707 8.046 -4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 96 17.425 7.981 -4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 96 18.009 8.662 -6.693 1.00 0.00 H new ATOM 0 HD3 LYS A 96 16.736 7.737 -7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 96 15.177 9.433 -7.267 1.00 0.00 H new ATOM 0 HE3 LYS A 96 15.884 10.068 -5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 16.233 11.563 -7.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 17.724 10.966 -7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 17.039 10.351 -8.524 1.00 0.00 H new ATOM 1559 N TYR A 97 15.024 3.726 -5.598 1.00 0.00 N ATOM 1560 CA TYR A 97 14.811 2.307 -5.417 1.00 0.00 C ATOM 1561 C TYR A 97 14.046 1.742 -6.604 1.00 0.00 C ATOM 1562 O TYR A 97 14.372 0.673 -7.119 1.00 0.00 O ATOM 1563 CB TYR A 97 14.065 2.068 -4.101 1.00 0.00 C ATOM 1564 CG TYR A 97 12.906 1.110 -4.206 1.00 0.00 C ATOM 1565 CD1 TYR A 97 13.075 -0.144 -4.770 1.00 0.00 C ATOM 1566 CD2 TYR A 97 11.650 1.456 -3.736 1.00 0.00 C ATOM 1567 CE1 TYR A 97 12.028 -1.034 -4.864 1.00 0.00 C ATOM 1568 CE2 TYR A 97 10.600 0.574 -3.828 1.00 0.00 C ATOM 1569 CZ TYR A 97 10.791 -0.671 -4.390 1.00 0.00 C ATOM 1570 OH TYR A 97 9.742 -1.557 -4.481 1.00 0.00 O ATOM 0 H TYR A 97 14.615 4.310 -4.869 1.00 0.00 H new ATOM 0 HA TYR A 97 15.770 1.791 -5.364 1.00 0.00 H new ATOM 0 HB2 TYR A 97 14.770 1.686 -3.362 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.698 3.024 -3.727 1.00 0.00 H new ATOM 0 HD1 TYR A 97 14.047 -0.430 -5.144 1.00 0.00 H new ATOM 0 HD2 TYR A 97 11.494 2.428 -3.293 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.178 -2.008 -5.306 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.625 0.856 -3.460 1.00 0.00 H new ATOM 0 HH TYR A 97 10.087 -2.453 -4.676 1.00 0.00 H new ATOM 1580 N GLU A 98 13.040 2.479 -7.038 1.00 0.00 N ATOM 1581 CA GLU A 98 12.230 2.075 -8.169 1.00 0.00 C ATOM 1582 C GLU A 98 13.041 2.136 -9.449 1.00 0.00 C ATOM 1583 O GLU A 98 12.637 1.584 -10.466 1.00 0.00 O ATOM 1584 CB GLU A 98 11.000 2.972 -8.265 1.00 0.00 C ATOM 1585 CG GLU A 98 10.103 2.645 -9.436 1.00 0.00 C ATOM 1586 CD GLU A 98 10.118 3.721 -10.504 1.00 0.00 C ATOM 1587 OE1 GLU A 98 9.725 4.866 -10.197 1.00 0.00 O ATOM 1588 OE2 GLU A 98 10.528 3.419 -11.645 1.00 0.00 O ATOM 0 H GLU A 98 12.764 3.367 -6.619 1.00 0.00 H new ATOM 0 HA GLU A 98 11.903 1.045 -8.026 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.425 2.886 -7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.323 4.010 -8.344 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.417 1.698 -9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.082 2.508 -9.079 1.00 0.00 H new ATOM 1595 N ILE A 99 14.209 2.773 -9.397 1.00 0.00 N ATOM 1596 CA ILE A 99 15.055 2.823 -10.568 1.00 0.00 C ATOM 1597 C ILE A 99 15.602 1.441 -10.790 1.00 0.00 C ATOM 1598 O ILE A 99 15.546 0.885 -11.888 1.00 0.00 O ATOM 1599 CB ILE A 99 16.251 3.782 -10.427 1.00 0.00 C ATOM 1600 CG1 ILE A 99 15.801 5.147 -9.947 1.00 0.00 C ATOM 1601 CG2 ILE A 99 16.991 3.896 -11.745 1.00 0.00 C ATOM 1602 CD1 ILE A 99 14.728 5.778 -10.808 1.00 0.00 C ATOM 0 H ILE A 99 14.577 3.249 -8.573 1.00 0.00 H new ATOM 0 HA ILE A 99 14.445 3.186 -11.395 1.00 0.00 H new ATOM 0 HB ILE A 99 16.930 3.372 -9.680 1.00 0.00 H new ATOM 0 HG12 ILE A 99 15.428 5.058 -8.927 1.00 0.00 H new ATOM 0 HG13 ILE A 99 16.664 5.812 -9.914 1.00 0.00 H new ATOM 0 HG21 ILE A 99 17.834 4.577 -11.631 1.00 0.00 H new ATOM 0 HG22 ILE A 99 17.356 2.913 -12.043 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.315 4.280 -12.510 1.00 0.00 H new ATOM 0 HD11 ILE A 99 14.460 6.752 -10.399 1.00 0.00 H new ATOM 0 HD12 ILE A 99 15.103 5.902 -11.824 1.00 0.00 H new ATOM 0 HD13 ILE A 99 13.848 5.135 -10.822 1.00 0.00 H new ATOM 1614 N ALA A 100 16.121 0.894 -9.706 1.00 0.00 N ATOM 1615 CA ALA A 100 16.684 -0.448 -9.722 1.00 0.00 C ATOM 1616 C ALA A 100 15.697 -1.446 -10.273 1.00 0.00 C ATOM 1617 O ALA A 100 16.045 -2.325 -11.061 1.00 0.00 O ATOM 1618 CB ALA A 100 17.137 -0.856 -8.329 1.00 0.00 C ATOM 0 H ALA A 100 16.165 1.359 -8.799 1.00 0.00 H new ATOM 0 HA ALA A 100 17.554 -0.439 -10.379 1.00 0.00 H new ATOM 0 HB1 ALA A 100 17.555 -1.862 -8.362 1.00 0.00 H new ATOM 0 HB2 ALA A 100 17.897 -0.159 -7.975 1.00 0.00 H new ATOM 0 HB3 ALA A 100 16.285 -0.839 -7.650 1.00 0.00 H new ATOM 1624 N LYS A 101 14.479 -1.327 -9.816 1.00 0.00 N ATOM 1625 CA LYS A 101 13.435 -2.224 -10.199 1.00 0.00 C ATOM 1626 C LYS A 101 12.677 -1.806 -11.452 1.00 0.00 C ATOM 1627 O LYS A 101 12.382 -2.633 -12.314 1.00 0.00 O ATOM 1628 CB LYS A 101 12.527 -2.350 -9.022 1.00 0.00 C ATOM 1629 CG LYS A 101 13.235 -3.050 -7.902 1.00 0.00 C ATOM 1630 CD LYS A 101 14.093 -2.094 -7.119 1.00 0.00 C ATOM 1631 CE LYS A 101 14.632 -2.735 -5.849 1.00 0.00 C ATOM 1632 NZ LYS A 101 15.622 -3.808 -6.146 1.00 0.00 N ATOM 0 H LYS A 101 14.187 -0.599 -9.164 1.00 0.00 H new ATOM 0 HA LYS A 101 13.875 -3.183 -10.474 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.201 -1.362 -8.696 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.631 -2.905 -9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.504 -3.513 -7.239 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.854 -3.852 -8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.924 -1.759 -7.739 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.511 -1.209 -6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.099 -1.972 -5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.806 -3.152 -5.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.965 -4.220 -5.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.169 -4.549 -6.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.423 -3.405 -6.673 1.00 0.00 H new ATOM 1646 N GLY A 102 12.347 -0.533 -11.536 1.00 0.00 N ATOM 1647 CA GLY A 102 11.602 -0.035 -12.678 1.00 0.00 C ATOM 1648 C GLY A 102 10.170 -0.530 -12.658 1.00 0.00 C ATOM 1649 O GLY A 102 9.650 -1.010 -13.665 1.00 0.00 O ATOM 0 H GLY A 102 12.579 0.171 -10.835 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.613 1.055 -12.675 1.00 0.00 H new ATOM 0 HA3 GLY A 102 12.087 -0.356 -13.600 1.00 0.00 H new ATOM 1653 N LEU A 103 9.548 -0.428 -11.490 1.00 0.00 N ATOM 1654 CA LEU A 103 8.171 -0.885 -11.297 1.00 0.00 C ATOM 1655 C LEU A 103 7.184 0.280 -11.261 1.00 0.00 C ATOM 1656 O LEU A 103 6.210 0.259 -10.508 1.00 0.00 O ATOM 1657 CB LEU A 103 8.057 -1.706 -10.003 1.00 0.00 C ATOM 1658 CG LEU A 103 9.266 -1.637 -9.070 1.00 0.00 C ATOM 1659 CD1 LEU A 103 9.480 -0.215 -8.578 1.00 0.00 C ATOM 1660 CD2 LEU A 103 9.092 -2.593 -7.899 1.00 0.00 C ATOM 0 H LEU A 103 9.976 -0.030 -10.654 1.00 0.00 H new ATOM 0 HA LEU A 103 7.915 -1.514 -12.150 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.178 -1.367 -9.455 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.885 -2.749 -10.269 1.00 0.00 H new ATOM 0 HG LEU A 103 10.151 -1.941 -9.629 1.00 0.00 H new ATOM 0 HD11 LEU A 103 10.345 -0.186 -7.915 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.653 0.443 -9.430 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.596 0.119 -8.036 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.962 -2.530 -7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.197 -2.323 -7.338 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.992 -3.612 -8.273 1.00 0.00 H new ATOM 1672 N MET A 104 7.433 1.289 -12.081 1.00 0.00 N ATOM 1673 CA MET A 104 6.556 2.456 -12.141 1.00 0.00 C ATOM 1674 C MET A 104 5.534 2.319 -13.269 1.00 0.00 C ATOM 1675 O MET A 104 5.672 2.936 -14.326 1.00 0.00 O ATOM 1676 CB MET A 104 7.378 3.734 -12.325 1.00 0.00 C ATOM 1677 CG MET A 104 7.182 4.747 -11.208 1.00 0.00 C ATOM 1678 SD MET A 104 5.451 5.197 -10.976 1.00 0.00 S ATOM 1679 CE MET A 104 5.436 6.852 -11.659 1.00 0.00 C ATOM 0 H MET A 104 8.232 1.327 -12.714 1.00 0.00 H new ATOM 0 HA MET A 104 6.015 2.518 -11.197 1.00 0.00 H new ATOM 0 HB2 MET A 104 8.434 3.472 -12.386 1.00 0.00 H new ATOM 0 HB3 MET A 104 7.109 4.196 -13.275 1.00 0.00 H new ATOM 0 HG2 MET A 104 7.575 4.337 -10.278 1.00 0.00 H new ATOM 0 HG3 MET A 104 7.760 5.644 -11.430 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.430 7.266 -11.587 1.00 0.00 H new ATOM 0 HE2 MET A 104 6.128 7.482 -11.101 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.740 6.817 -12.705 1.00 0.00 H new ATOM 1689 N SER A 105 4.506 1.506 -13.037 1.00 0.00 N ATOM 1690 CA SER A 105 3.463 1.290 -14.033 1.00 0.00 C ATOM 1691 C SER A 105 2.234 0.633 -13.408 1.00 0.00 C ATOM 1692 O SER A 105 2.355 -0.219 -12.528 1.00 0.00 O ATOM 1693 CB SER A 105 3.998 0.421 -15.170 1.00 0.00 C ATOM 1694 OG SER A 105 3.785 1.036 -16.429 1.00 0.00 O ATOM 0 H SER A 105 4.374 0.987 -12.169 1.00 0.00 H new ATOM 0 HA SER A 105 3.166 2.261 -14.430 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.064 0.243 -15.025 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.507 -0.552 -15.150 1.00 0.00 H new ATOM 0 HG SER A 105 4.138 0.460 -17.139 1.00 0.00 H new ATOM 1700 N VAL A 106 1.052 1.032 -13.873 1.00 0.00 N ATOM 1701 CA VAL A 106 -0.197 0.478 -13.362 1.00 0.00 C ATOM 1702 C VAL A 106 -1.408 1.080 -14.066 1.00 0.00 C ATOM 1703 O VAL A 106 -1.760 2.236 -13.830 1.00 0.00 O ATOM 1704 CB VAL A 106 -0.342 0.699 -11.842 1.00 0.00 C ATOM 1705 CG1 VAL A 106 -0.343 2.184 -11.507 1.00 0.00 C ATOM 1706 CG2 VAL A 106 -1.607 0.019 -11.322 1.00 0.00 C ATOM 0 H VAL A 106 0.934 1.736 -14.602 1.00 0.00 H new ATOM 0 HA VAL A 106 -0.160 -0.592 -13.564 1.00 0.00 H new ATOM 0 HB VAL A 106 0.517 0.247 -11.346 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.446 2.314 -10.430 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.594 2.632 -11.838 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.177 2.671 -12.013 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.694 0.185 -10.248 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.478 0.438 -11.826 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.553 -1.051 -11.521 1.00 0.00 H new ATOM 1716 N PRO A 107 -2.095 0.292 -14.919 1.00 0.00 N ATOM 1717 CA PRO A 107 -3.295 0.746 -15.620 1.00 0.00 C ATOM 1718 C PRO A 107 -4.515 0.562 -14.745 1.00 0.00 C ATOM 1719 O PRO A 107 -5.636 0.385 -15.221 1.00 0.00 O ATOM 1720 CB PRO A 107 -3.352 -0.205 -16.803 1.00 0.00 C ATOM 1721 CG PRO A 107 -2.896 -1.491 -16.206 1.00 0.00 C ATOM 1722 CD PRO A 107 -1.789 -1.117 -15.247 1.00 0.00 C ATOM 0 HA PRO A 107 -3.272 1.800 -15.898 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -4.359 -0.283 -17.213 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -2.701 0.119 -17.615 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -3.712 -1.995 -15.687 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -2.536 -2.175 -16.974 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -1.794 -1.748 -14.359 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -0.806 -1.220 -15.706 1.00 0.00 H new ATOM 1730 N TYR A 108 -4.256 0.563 -13.454 1.00 0.00 N ATOM 1731 CA TYR A 108 -5.273 0.355 -12.452 1.00 0.00 C ATOM 1732 C TYR A 108 -5.619 1.635 -11.706 1.00 0.00 C ATOM 1733 O TYR A 108 -5.400 2.738 -12.198 1.00 0.00 O ATOM 1734 CB TYR A 108 -4.776 -0.702 -11.468 1.00 0.00 C ATOM 1735 CG TYR A 108 -5.816 -1.733 -11.156 1.00 0.00 C ATOM 1736 CD1 TYR A 108 -6.052 -2.775 -12.031 1.00 0.00 C ATOM 1737 CD2 TYR A 108 -6.577 -1.650 -10.003 1.00 0.00 C ATOM 1738 CE1 TYR A 108 -7.017 -3.714 -11.767 1.00 0.00 C ATOM 1739 CE2 TYR A 108 -7.546 -2.574 -9.726 1.00 0.00 C ATOM 1740 CZ TYR A 108 -7.769 -3.613 -10.610 1.00 0.00 C ATOM 1741 OH TYR A 108 -8.743 -4.547 -10.340 1.00 0.00 O ATOM 0 H TYR A 108 -3.323 0.710 -13.070 1.00 0.00 H new ATOM 0 HA TYR A 108 -6.183 0.022 -12.951 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -3.896 -1.193 -11.882 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.464 -0.215 -10.544 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -5.468 -2.852 -12.936 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -6.402 -0.841 -9.309 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -7.188 -4.526 -12.458 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -8.133 -2.493 -8.823 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.177 -4.331 -9.488 1.00 0.00 H new ATOM 1751 N ILE A 109 -6.149 1.450 -10.501 1.00 0.00 N ATOM 1752 CA ILE A 109 -6.529 2.534 -9.620 1.00 0.00 C ATOM 1753 C ILE A 109 -7.742 3.289 -10.131 1.00 0.00 C ATOM 1754 O ILE A 109 -7.696 3.968 -11.158 1.00 0.00 O ATOM 1755 CB ILE A 109 -5.344 3.493 -9.337 1.00 0.00 C ATOM 1756 CG1 ILE A 109 -5.337 4.718 -10.264 1.00 0.00 C ATOM 1757 CG2 ILE A 109 -4.036 2.730 -9.449 1.00 0.00 C ATOM 1758 CD1 ILE A 109 -4.199 5.676 -9.989 1.00 0.00 C ATOM 0 H ILE A 109 -6.327 0.525 -10.109 1.00 0.00 H new ATOM 0 HA ILE A 109 -6.812 2.077 -8.672 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.464 3.875 -8.323 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -5.275 4.381 -11.299 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.283 5.250 -10.158 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -3.203 3.404 -9.250 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -4.026 1.917 -8.723 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.939 2.320 -10.454 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -4.256 6.517 -10.680 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -4.271 6.042 -8.965 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -3.248 5.160 -10.123 1.00 0.00 H new ATOM 1770 N TYR A 110 -8.823 3.179 -9.377 1.00 0.00 N ATOM 1771 CA TYR A 110 -10.056 3.866 -9.701 1.00 0.00 C ATOM 1772 C TYR A 110 -10.066 5.205 -8.973 1.00 0.00 C ATOM 1773 O TYR A 110 -11.110 5.711 -8.565 1.00 0.00 O ATOM 1774 CB TYR A 110 -11.257 3.005 -9.294 1.00 0.00 C ATOM 1775 CG TYR A 110 -12.255 2.783 -10.409 1.00 0.00 C ATOM 1776 CD1 TYR A 110 -12.993 3.840 -10.929 1.00 0.00 C ATOM 1777 CD2 TYR A 110 -12.459 1.516 -10.941 1.00 0.00 C ATOM 1778 CE1 TYR A 110 -13.907 3.639 -11.948 1.00 0.00 C ATOM 1779 CE2 TYR A 110 -13.371 1.308 -11.960 1.00 0.00 C ATOM 1780 CZ TYR A 110 -14.091 2.372 -12.459 1.00 0.00 C ATOM 1781 OH TYR A 110 -15.000 2.168 -13.472 1.00 0.00 O ATOM 0 H TYR A 110 -8.868 2.614 -8.529 1.00 0.00 H new ATOM 0 HA TYR A 110 -10.124 4.041 -10.775 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -10.897 2.038 -8.944 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -11.764 3.479 -8.454 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -12.851 4.834 -10.531 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -11.896 0.680 -10.553 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -14.473 4.470 -12.341 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -13.518 0.317 -12.363 1.00 0.00 H new ATOM 0 HH TYR A 110 -15.008 1.220 -13.719 1.00 0.00 H new ATOM 1791 N PHE A 111 -8.860 5.755 -8.808 1.00 0.00 N ATOM 1792 CA PHE A 111 -8.648 7.021 -8.125 1.00 0.00 C ATOM 1793 C PHE A 111 -9.464 7.100 -6.836 1.00 0.00 C ATOM 1794 O PHE A 111 -9.685 8.227 -6.345 1.00 0.00 O ATOM 1795 CB PHE A 111 -8.994 8.193 -9.047 1.00 0.00 C ATOM 1796 CG PHE A 111 -7.789 8.953 -9.524 1.00 0.00 C ATOM 1797 CD1 PHE A 111 -6.667 8.280 -9.984 1.00 0.00 C ATOM 1798 CD2 PHE A 111 -7.777 10.339 -9.513 1.00 0.00 C ATOM 1799 CE1 PHE A 111 -5.557 8.976 -10.423 1.00 0.00 C ATOM 1800 CE2 PHE A 111 -6.669 11.039 -9.950 1.00 0.00 C ATOM 1801 CZ PHE A 111 -5.558 10.357 -10.406 1.00 0.00 C ATOM 1802 OXT PHE A 111 -9.875 6.035 -6.331 1.00 0.00 O ATOM 0 H PHE A 111 -8.000 5.326 -9.150 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.593 7.083 -7.859 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -9.542 7.817 -9.911 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.660 8.876 -8.520 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -6.661 7.200 -9.999 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -8.643 10.878 -9.159 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.689 8.441 -10.779 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -6.672 12.119 -9.935 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.691 10.903 -10.749 1.00 0.00 H new TER 1812 PHE A 111