USER MOD reduce.3.24.130724 H: found=0, std=0, add=1220, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1220 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 NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 202 CACA :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 202 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 203 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 203 CACA :(metal ligand) USER MOD Set 1.1: B 11 LYS NZ :NH3+ 164:sc= 2.05 (180deg=2.02) USER MOD Set 1.2: B 15 GLN : amide:sc= -1.05! C(o=1!,f=-5.1!) USER MOD Set 2.1: A 101 SER OG : rot -97:sc= 1.28 USER MOD Set 2.2: A 135 GLN : amide:sc= 0.14 K(o=1.4,f=-4!) USER MOD Set 3.1: A 5 THR OG1 : rot 138:sc= 1.21 USER MOD Set 3.2: A 8 GLN : amide:sc= 1.34 K(o=2.6,f=0.5) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 76:sc= 1.1 USER MOD Single : A 21 LYS NZ :NH3+ -129:sc= 2.45 (180deg=-2.23) USER MOD Single : A 26 THR OG1 : rot 81:sc= 1.2 USER MOD Single : A 28 THR OG1 : rot -60:sc= 1.05 USER MOD Single : A 29 THR OG1 : rot 180:sc=0.000696 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 68:sc= 0.523 USER MOD Single : A 36 MET CE :methyl -166:sc= -0.497 (180deg=-1.01) USER MOD Single : A 38 SER OG : rot 180:sc= 0.971 USER MOD Single : A 41 GLN : amide:sc= 0.218 K(o=0.22,f=-3!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 44 THR OG1 : rot -80:sc= 1.34 USER MOD Single : A 49 GLN : amide:sc= -1.56! K(o=-1.6!,f=-0.26) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot -170:sc= 0.17 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 71 MET CE :methyl 163:sc= -1.4 (180deg=-3.12!) USER MOD Single : A 72 MET CE :methyl -164:sc= 0 (180deg=-0.265) USER MOD Single : A 75 LYS NZ :NH3+ 131:sc= 0.479 (180deg=-4.77!) USER MOD Single : A 76 MET CE :methyl -170:sc=-0.000298 (180deg=-0.171) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -78:sc= 1.23 USER MOD Single : A 94 LYS NZ :NH3+ -152:sc= -0.286 (180deg=-0.961) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0.0713 X(o=0.071,f=-0.35) USER MOD Single : A 109 MET CE :methyl -162:sc= -0.555 (180deg=-1.46) USER MOD Single : A 110 THR OG1 : rot 74:sc= 0.37 USER MOD Single : A 111 ASN : amide:sc= -0.0669 K(o=-0.067,f=-1.8!) USER MOD Single : A 115 LYS NZ :NH3+ 149:sc= 2.5 (180deg=1.73) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0242 USER MOD Single : A 124 MET CE :methyl 176:sc= -2.95 (180deg=-3.1) USER MOD Single : A 137 ASN : amide:sc= -0.466 K(o=-0.47,f=-10!) USER MOD Single : A 138 TYR OH : rot 180:sc= -1.02! USER MOD Single : A 143 GLN : amide:sc= 0.205 X(o=0.21,f=0) USER MOD Single : A 144 MET CE :methyl -157:sc= -6.71! (180deg=-9.69!) USER MOD Single : A 145 MET CE :methyl -163:sc= -0.817 (180deg=-2.1) USER MOD Single : A 146 THR OG1 : rot 76:sc= 1.18 USER MOD Single : B 1 MET CE :methyl 167:sc= 0 (180deg=-0.305) USER MOD Single : B 1 MET N :NH3+ 176:sc= 0.316 (180deg=0.157) USER MOD Single : B 3 CYS SG : rot -42:sc= -3.37! USER MOD Single : B 5 CYS SG : rot -42:sc= -5.42! USER MOD Single : B 8 THR OG1 : rot 155:sc= -0.655 USER MOD Single : B 9 THR OG1 : rot 78:sc= 1.29 USER MOD Single : B 10 LYS NZ :NH3+ -115:sc= 0.508 (180deg=-2.07!) USER MOD Single : B 12 TYR OH : rot -72:sc= -0.476! USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 4 -3.283 19.594 3.670 1.00 1.45 N ATOM 2 CA LEU A 4 -2.502 18.429 3.175 1.00 1.33 C ATOM 3 C LEU A 4 -1.396 18.914 2.231 1.00 1.19 C ATOM 4 O LEU A 4 -1.522 19.985 1.640 1.00 1.15 O ATOM 5 CB LEU A 4 -3.427 17.435 2.456 1.00 1.31 C ATOM 6 CG LEU A 4 -2.779 16.109 2.058 1.00 1.33 C ATOM 7 CD1 LEU A 4 -2.324 15.345 3.288 1.00 1.71 C ATOM 8 CD2 LEU A 4 -3.746 15.276 1.234 1.00 1.33 C ATOM 0 HA LEU A 4 -2.044 17.918 4.022 1.00 1.33 H new ATOM 0 HB2 LEU A 4 -4.279 17.224 3.102 1.00 1.31 H new ATOM 0 HB3 LEU A 4 -3.819 17.913 1.558 1.00 1.31 H new ATOM 0 HG LEU A 4 -1.901 16.322 1.448 1.00 1.33 H new ATOM 0 HD11 LEU A 4 -1.866 14.404 2.983 1.00 1.71 H new ATOM 0 HD12 LEU A 4 -1.597 15.942 3.838 1.00 1.71 H new ATOM 0 HD13 LEU A 4 -3.183 15.140 3.927 1.00 1.71 H new ATOM 0 HD21 LEU A 4 -3.271 14.335 0.958 1.00 1.33 H new ATOM 0 HD22 LEU A 4 -4.642 15.072 1.821 1.00 1.33 H new ATOM 0 HD23 LEU A 4 -4.020 15.823 0.332 1.00 1.33 H new ATOM 20 N THR A 5 -0.312 18.148 2.116 1.00 1.17 N ATOM 21 CA THR A 5 0.797 18.490 1.236 1.00 1.07 C ATOM 22 C THR A 5 0.346 18.538 -0.222 1.00 0.97 C ATOM 23 O THR A 5 -0.405 17.675 -0.687 1.00 0.96 O ATOM 24 CB THR A 5 1.930 17.466 1.384 1.00 1.11 C ATOM 25 OG1 THR A 5 1.530 16.459 2.329 1.00 1.25 O ATOM 26 CG2 THR A 5 3.234 18.138 1.838 1.00 1.21 C ATOM 0 H THR A 5 -0.181 17.277 2.630 1.00 1.17 H new ATOM 0 HA THR A 5 1.158 19.477 1.524 1.00 1.07 H new ATOM 0 HB THR A 5 2.120 17.008 0.413 1.00 1.11 H new ATOM 0 HG1 THR A 5 1.797 15.576 1.999 1.00 1.25 H new ATOM 0 HG21 THR A 5 4.017 17.386 1.933 1.00 1.21 H new ATOM 0 HG22 THR A 5 3.535 18.883 1.102 1.00 1.21 H new ATOM 0 HG23 THR A 5 3.077 18.623 2.802 1.00 1.21 H new ATOM 34 N GLU A 6 0.821 19.548 -0.936 1.00 0.93 N ATOM 35 CA GLU A 6 0.474 19.755 -2.349 1.00 0.88 C ATOM 36 C GLU A 6 0.850 18.556 -3.190 1.00 0.84 C ATOM 37 O GLU A 6 0.109 18.166 -4.087 1.00 0.82 O ATOM 38 CB GLU A 6 1.177 20.982 -2.908 1.00 0.92 C ATOM 39 CG GLU A 6 1.014 22.236 -2.073 1.00 1.07 C ATOM 40 CD GLU A 6 1.431 23.479 -2.840 1.00 1.44 C ATOM 41 OE1 GLU A 6 0.841 23.749 -3.906 1.00 1.91 O ATOM 42 OE2 GLU A 6 2.348 24.188 -2.380 1.00 1.97 O ATOM 0 H GLU A 6 1.458 20.251 -0.560 1.00 0.93 H new ATOM 0 HA GLU A 6 -0.606 19.900 -2.392 1.00 0.88 H new ATOM 0 HB2 GLU A 6 2.240 20.762 -3.007 1.00 0.92 H new ATOM 0 HB3 GLU A 6 0.797 21.177 -3.911 1.00 0.92 H new ATOM 0 HG2 GLU A 6 -0.026 22.333 -1.761 1.00 1.07 H new ATOM 0 HG3 GLU A 6 1.613 22.150 -1.166 1.00 1.07 H new ATOM 49 N GLU A 7 2.020 17.982 -2.914 1.00 0.86 N ATOM 50 CA GLU A 7 2.475 16.800 -3.643 1.00 0.85 C ATOM 51 C GLU A 7 1.428 15.711 -3.526 1.00 0.84 C ATOM 52 O GLU A 7 1.009 15.130 -4.526 1.00 0.82 O ATOM 53 CB GLU A 7 3.800 16.297 -3.086 1.00 0.90 C ATOM 54 CG GLU A 7 4.883 17.354 -3.069 1.00 1.18 C ATOM 55 CD GLU A 7 5.011 18.015 -1.718 1.00 1.58 C ATOM 56 OE1 GLU A 7 4.167 18.877 -1.387 1.00 1.76 O ATOM 57 OE2 GLU A 7 5.957 17.674 -0.978 1.00 1.98 O ATOM 0 H GLU A 7 2.665 18.313 -2.197 1.00 0.86 H new ATOM 0 HA GLU A 7 2.622 17.067 -4.690 1.00 0.85 H new ATOM 0 HB2 GLU A 7 3.644 15.931 -2.071 1.00 0.90 H new ATOM 0 HB3 GLU A 7 4.138 15.450 -3.682 1.00 0.90 H new ATOM 0 HG2 GLU A 7 5.836 16.900 -3.342 1.00 1.18 H new ATOM 0 HG3 GLU A 7 4.663 18.110 -3.823 1.00 1.18 H new ATOM 64 N GLN A 8 0.989 15.468 -2.292 1.00 0.87 N ATOM 65 CA GLN A 8 -0.019 14.458 -2.028 1.00 0.89 C ATOM 66 C GLN A 8 -1.297 14.785 -2.781 1.00 0.83 C ATOM 67 O GLN A 8 -1.861 13.924 -3.431 1.00 0.81 O ATOM 68 CB GLN A 8 -0.285 14.334 -0.525 1.00 0.99 C ATOM 69 CG GLN A 8 0.563 13.270 0.156 1.00 1.24 C ATOM 70 CD GLN A 8 2.045 13.573 0.078 1.00 1.43 C ATOM 71 OE1 GLN A 8 2.572 14.316 0.905 1.00 1.54 O ATOM 72 NE2 GLN A 8 2.735 13.016 -0.913 1.00 1.62 N ATOM 0 H GLN A 8 1.320 15.961 -1.462 1.00 0.87 H new ATOM 0 HA GLN A 8 0.352 13.496 -2.380 1.00 0.89 H new ATOM 0 HB2 GLN A 8 -0.096 15.297 -0.050 1.00 0.99 H new ATOM 0 HB3 GLN A 8 -1.339 14.103 -0.368 1.00 0.99 H new ATOM 0 HG2 GLN A 8 0.267 13.188 1.202 1.00 1.24 H new ATOM 0 HG3 GLN A 8 0.368 12.303 -0.307 1.00 1.24 H new ATOM 0 HE21 GLN A 8 2.265 12.405 -1.581 1.00 1.62 H new ATOM 0 HE22 GLN A 8 3.734 13.200 -1.005 1.00 1.62 H new ATOM 81 N ILE A 9 -1.751 16.029 -2.678 1.00 0.84 N ATOM 82 CA ILE A 9 -2.948 16.465 -3.397 1.00 0.83 C ATOM 83 C ILE A 9 -2.829 16.145 -4.891 1.00 0.77 C ATOM 84 O ILE A 9 -3.795 15.722 -5.525 1.00 0.78 O ATOM 85 CB ILE A 9 -3.182 17.983 -3.216 1.00 0.87 C ATOM 86 CG1 ILE A 9 -3.560 18.324 -1.770 1.00 0.92 C ATOM 87 CG2 ILE A 9 -4.246 18.482 -4.185 1.00 0.92 C ATOM 88 CD1 ILE A 9 -4.883 17.743 -1.327 1.00 1.13 C ATOM 0 H ILE A 9 -1.313 16.752 -2.107 1.00 0.84 H new ATOM 0 HA ILE A 9 -3.797 15.924 -2.979 1.00 0.83 H new ATOM 0 HB ILE A 9 -2.245 18.492 -3.440 1.00 0.87 H new ATOM 0 HG12 ILE A 9 -2.775 17.963 -1.105 1.00 0.92 H new ATOM 0 HG13 ILE A 9 -3.596 19.408 -1.661 1.00 0.92 H new ATOM 0 HG21 ILE A 9 -4.396 19.552 -4.041 1.00 0.92 H new ATOM 0 HG22 ILE A 9 -3.922 18.295 -5.209 1.00 0.92 H new ATOM 0 HG23 ILE A 9 -5.183 17.956 -3.999 1.00 0.92 H new ATOM 0 HD11 ILE A 9 -5.078 18.029 -0.294 1.00 1.13 H new ATOM 0 HD12 ILE A 9 -5.680 18.124 -1.966 1.00 1.13 H new ATOM 0 HD13 ILE A 9 -4.846 16.656 -1.402 1.00 1.13 H new ATOM 100 N ALA A 10 -1.638 16.321 -5.432 1.00 0.74 N ATOM 101 CA ALA A 10 -1.391 16.052 -6.831 1.00 0.71 C ATOM 102 C ALA A 10 -1.361 14.550 -7.096 1.00 0.68 C ATOM 103 O ALA A 10 -1.965 14.068 -8.052 1.00 0.70 O ATOM 104 CB ALA A 10 -0.090 16.698 -7.258 1.00 0.74 C ATOM 0 H ALA A 10 -0.822 16.652 -4.917 1.00 0.74 H new ATOM 0 HA ALA A 10 -2.204 16.479 -7.419 1.00 0.71 H new ATOM 0 HB1 ALA A 10 0.090 16.491 -8.313 1.00 0.74 H new ATOM 0 HB2 ALA A 10 -0.151 17.775 -7.105 1.00 0.74 H new ATOM 0 HB3 ALA A 10 0.729 16.293 -6.664 1.00 0.74 H new ATOM 110 N GLU A 11 -0.685 13.810 -6.218 1.00 0.68 N ATOM 111 CA GLU A 11 -0.577 12.353 -6.352 1.00 0.69 C ATOM 112 C GLU A 11 -1.953 11.706 -6.235 1.00 0.65 C ATOM 113 O GLU A 11 -2.359 10.915 -7.085 1.00 0.62 O ATOM 114 CB GLU A 11 0.366 11.756 -5.293 1.00 0.75 C ATOM 115 CG GLU A 11 1.823 12.195 -5.435 1.00 0.96 C ATOM 116 CD GLU A 11 2.771 11.426 -4.530 1.00 1.07 C ATOM 117 OE1 GLU A 11 2.529 11.383 -3.305 1.00 1.21 O ATOM 118 OE2 GLU A 11 3.756 10.838 -5.034 1.00 1.57 O ATOM 0 H GLU A 11 -0.203 14.193 -5.405 1.00 0.68 H new ATOM 0 HA GLU A 11 -0.159 12.145 -7.337 1.00 0.69 H new ATOM 0 HB2 GLU A 11 0.008 12.038 -4.303 1.00 0.75 H new ATOM 0 HB3 GLU A 11 0.318 10.669 -5.351 1.00 0.75 H new ATOM 0 HG2 GLU A 11 2.135 12.066 -6.471 1.00 0.96 H new ATOM 0 HG3 GLU A 11 1.899 13.259 -5.210 1.00 0.96 H new ATOM 125 N PHE A 12 -2.662 12.040 -5.168 1.00 0.67 N ATOM 126 CA PHE A 12 -3.993 11.491 -4.916 1.00 0.67 C ATOM 127 C PHE A 12 -4.962 11.827 -6.041 1.00 0.66 C ATOM 128 O PHE A 12 -5.913 11.083 -6.290 1.00 0.64 O ATOM 129 CB PHE A 12 -4.535 11.957 -3.565 1.00 0.73 C ATOM 130 CG PHE A 12 -3.845 11.274 -2.414 1.00 1.01 C ATOM 131 CD1 PHE A 12 -3.896 9.897 -2.295 1.00 1.39 C ATOM 132 CD2 PHE A 12 -3.132 11.995 -1.465 1.00 1.29 C ATOM 133 CE1 PHE A 12 -3.254 9.245 -1.257 1.00 1.80 C ATOM 134 CE2 PHE A 12 -2.493 11.345 -0.423 1.00 1.66 C ATOM 135 CZ PHE A 12 -2.554 9.973 -0.321 1.00 1.85 C ATOM 0 H PHE A 12 -2.338 12.694 -4.455 1.00 0.67 H new ATOM 0 HA PHE A 12 -3.896 10.406 -4.883 1.00 0.67 H new ATOM 0 HB2 PHE A 12 -4.407 13.036 -3.476 1.00 0.73 H new ATOM 0 HB3 PHE A 12 -5.606 11.758 -3.516 1.00 0.73 H new ATOM 0 HD1 PHE A 12 -4.446 9.321 -3.024 1.00 1.39 H new ATOM 0 HD2 PHE A 12 -3.076 13.071 -1.540 1.00 1.29 H new ATOM 0 HE1 PHE A 12 -3.302 8.169 -1.181 1.00 1.80 H new ATOM 0 HE2 PHE A 12 -1.945 11.916 0.312 1.00 1.66 H new ATOM 0 HZ PHE A 12 -2.053 9.469 0.492 1.00 1.85 H new ATOM 145 N LYS A 13 -4.735 12.952 -6.691 1.00 0.67 N ATOM 146 CA LYS A 13 -5.549 13.363 -7.820 1.00 0.69 C ATOM 147 C LYS A 13 -5.466 12.325 -8.940 1.00 0.64 C ATOM 148 O LYS A 13 -6.476 11.969 -9.563 1.00 0.64 O ATOM 149 CB LYS A 13 -5.071 14.722 -8.307 1.00 0.75 C ATOM 150 CG LYS A 13 -6.019 15.355 -9.297 1.00 0.91 C ATOM 151 CD LYS A 13 -5.342 16.462 -10.079 1.00 1.14 C ATOM 152 CE LYS A 13 -4.321 15.900 -11.047 1.00 1.25 C ATOM 153 NZ LYS A 13 -3.451 16.955 -11.615 1.00 1.50 N ATOM 0 H LYS A 13 -3.987 13.603 -6.454 1.00 0.67 H new ATOM 0 HA LYS A 13 -6.592 13.440 -7.512 1.00 0.69 H new ATOM 0 HB2 LYS A 13 -4.949 15.387 -7.452 1.00 0.75 H new ATOM 0 HB3 LYS A 13 -4.090 14.613 -8.769 1.00 0.75 H new ATOM 0 HG2 LYS A 13 -6.390 14.595 -9.985 1.00 0.91 H new ATOM 0 HG3 LYS A 13 -6.884 15.757 -8.769 1.00 0.91 H new ATOM 0 HD2 LYS A 13 -6.090 17.035 -10.627 1.00 1.14 H new ATOM 0 HD3 LYS A 13 -4.854 17.152 -9.391 1.00 1.14 H new ATOM 0 HE2 LYS A 13 -3.706 15.160 -10.535 1.00 1.25 H new ATOM 0 HE3 LYS A 13 -4.836 15.381 -11.856 1.00 1.25 H new ATOM 0 HZ1 LYS A 13 -2.768 16.526 -12.271 1.00 1.50 H new ATOM 0 HZ2 LYS A 13 -4.034 17.648 -12.126 1.00 1.50 H new ATOM 0 HZ3 LYS A 13 -2.939 17.434 -10.847 1.00 1.50 H new ATOM 167 N GLU A 14 -4.260 11.829 -9.177 1.00 0.61 N ATOM 168 CA GLU A 14 -4.051 10.810 -10.201 1.00 0.59 C ATOM 169 C GLU A 14 -4.824 9.551 -9.818 1.00 0.53 C ATOM 170 O GLU A 14 -5.459 8.916 -10.657 1.00 0.53 O ATOM 171 CB GLU A 14 -2.564 10.475 -10.356 1.00 0.63 C ATOM 172 CG GLU A 14 -1.687 11.672 -10.644 1.00 0.98 C ATOM 173 CD GLU A 14 -0.304 11.261 -11.109 1.00 1.04 C ATOM 174 OE1 GLU A 14 0.501 10.810 -10.277 1.00 1.45 O ATOM 175 OE2 GLU A 14 -0.030 11.363 -12.326 1.00 1.64 O ATOM 0 H GLU A 14 -3.416 12.112 -8.679 1.00 0.61 H new ATOM 0 HA GLU A 14 -4.410 11.197 -11.155 1.00 0.59 H new ATOM 0 HB2 GLU A 14 -2.214 9.994 -9.443 1.00 0.63 H new ATOM 0 HB3 GLU A 14 -2.448 9.751 -11.163 1.00 0.63 H new ATOM 0 HG2 GLU A 14 -2.158 12.291 -11.408 1.00 0.98 H new ATOM 0 HG3 GLU A 14 -1.601 12.284 -9.746 1.00 0.98 H new ATOM 182 N ALA A 15 -4.780 9.225 -8.528 1.00 0.51 N ATOM 183 CA ALA A 15 -5.472 8.063 -8.005 1.00 0.47 C ATOM 184 C ALA A 15 -6.972 8.209 -8.216 1.00 0.45 C ATOM 185 O ALA A 15 -7.625 7.280 -8.679 1.00 0.44 O ATOM 186 CB ALA A 15 -5.142 7.846 -6.541 1.00 0.48 C ATOM 0 H ALA A 15 -4.267 9.758 -7.826 1.00 0.51 H new ATOM 0 HA ALA A 15 -5.132 7.182 -8.550 1.00 0.47 H new ATOM 0 HB1 ALA A 15 -5.674 6.968 -6.174 1.00 0.48 H new ATOM 0 HB2 ALA A 15 -4.069 7.693 -6.429 1.00 0.48 H new ATOM 0 HB3 ALA A 15 -5.446 8.721 -5.966 1.00 0.48 H new ATOM 192 N PHE A 16 -7.512 9.378 -7.872 1.00 0.46 N ATOM 193 CA PHE A 16 -8.932 9.648 -8.047 1.00 0.47 C ATOM 194 C PHE A 16 -9.332 9.413 -9.498 1.00 0.48 C ATOM 195 O PHE A 16 -10.357 8.809 -9.780 1.00 0.49 O ATOM 196 CB PHE A 16 -9.269 11.087 -7.644 1.00 0.54 C ATOM 197 CG PHE A 16 -9.911 11.215 -6.290 1.00 0.49 C ATOM 198 CD1 PHE A 16 -9.136 11.160 -5.140 1.00 0.91 C ATOM 199 CD2 PHE A 16 -11.278 11.422 -6.160 1.00 0.78 C ATOM 200 CE1 PHE A 16 -9.716 11.306 -3.893 1.00 1.22 C ATOM 201 CE2 PHE A 16 -11.859 11.575 -4.913 1.00 1.11 C ATOM 202 CZ PHE A 16 -11.075 11.518 -3.779 1.00 1.23 C ATOM 0 H PHE A 16 -6.983 10.152 -7.470 1.00 0.46 H new ATOM 0 HA PHE A 16 -9.490 8.969 -7.402 1.00 0.47 H new ATOM 0 HB2 PHE A 16 -8.354 11.680 -7.657 1.00 0.54 H new ATOM 0 HB3 PHE A 16 -9.937 11.515 -8.392 1.00 0.54 H new ATOM 0 HD1 PHE A 16 -8.071 11.002 -5.220 1.00 0.91 H new ATOM 0 HD2 PHE A 16 -11.897 11.464 -7.044 1.00 0.78 H new ATOM 0 HE1 PHE A 16 -9.103 11.254 -3.005 1.00 1.22 H new ATOM 0 HE2 PHE A 16 -12.923 11.739 -4.828 1.00 1.11 H new ATOM 0 HZ PHE A 16 -11.524 11.639 -2.804 1.00 1.23 H new ATOM 212 N SER A 17 -8.476 9.868 -10.411 1.00 0.52 N ATOM 213 CA SER A 17 -8.696 9.724 -11.846 1.00 0.56 C ATOM 214 C SER A 17 -8.581 8.256 -12.273 1.00 0.49 C ATOM 215 O SER A 17 -8.974 7.884 -13.389 1.00 0.55 O ATOM 216 CB SER A 17 -7.684 10.583 -12.626 1.00 0.64 C ATOM 217 OG SER A 17 -7.622 11.903 -12.096 1.00 0.77 O ATOM 0 H SER A 17 -7.608 10.348 -10.174 1.00 0.52 H new ATOM 0 HA SER A 17 -9.705 10.068 -12.073 1.00 0.56 H new ATOM 0 HB2 SER A 17 -6.698 10.122 -12.580 1.00 0.64 H new ATOM 0 HB3 SER A 17 -7.968 10.622 -13.677 1.00 0.64 H new ATOM 0 HG SER A 17 -7.116 11.895 -11.257 1.00 0.77 H new ATOM 223 N LEU A 18 -8.014 7.425 -11.401 1.00 0.42 N ATOM 224 CA LEU A 18 -7.875 6.004 -11.683 1.00 0.38 C ATOM 225 C LEU A 18 -9.123 5.270 -11.202 1.00 0.36 C ATOM 226 O LEU A 18 -9.708 4.479 -11.932 1.00 0.38 O ATOM 227 CB LEU A 18 -6.631 5.428 -11.001 1.00 0.42 C ATOM 228 CG LEU A 18 -6.525 3.898 -11.028 1.00 0.87 C ATOM 229 CD1 LEU A 18 -6.110 3.407 -12.412 1.00 1.43 C ATOM 230 CD2 LEU A 18 -5.555 3.416 -9.959 1.00 1.02 C ATOM 0 H LEU A 18 -7.645 7.714 -10.495 1.00 0.42 H new ATOM 0 HA LEU A 18 -7.761 5.870 -12.759 1.00 0.38 H new ATOM 0 HB2 LEU A 18 -5.746 5.847 -11.480 1.00 0.42 H new ATOM 0 HB3 LEU A 18 -6.618 5.760 -9.963 1.00 0.42 H new ATOM 0 HG LEU A 18 -7.507 3.478 -10.810 1.00 0.87 H new ATOM 0 HD11 LEU A 18 -6.041 2.319 -12.407 1.00 1.43 H new ATOM 0 HD12 LEU A 18 -6.852 3.720 -13.147 1.00 1.43 H new ATOM 0 HD13 LEU A 18 -5.140 3.830 -12.673 1.00 1.43 H new ATOM 0 HD21 LEU A 18 -5.490 2.328 -9.990 1.00 1.02 H new ATOM 0 HD22 LEU A 18 -4.569 3.844 -10.143 1.00 1.02 H new ATOM 0 HD23 LEU A 18 -5.910 3.730 -8.977 1.00 1.02 H new ATOM 242 N PHE A 19 -9.533 5.553 -9.978 1.00 0.35 N ATOM 243 CA PHE A 19 -10.715 4.933 -9.400 1.00 0.35 C ATOM 244 C PHE A 19 -11.974 5.414 -10.106 1.00 0.35 C ATOM 245 O PHE A 19 -12.843 4.617 -10.452 1.00 0.37 O ATOM 246 CB PHE A 19 -10.810 5.259 -7.903 1.00 0.35 C ATOM 247 CG PHE A 19 -9.807 4.529 -7.048 1.00 0.36 C ATOM 248 CD1 PHE A 19 -9.702 3.151 -7.115 1.00 0.41 C ATOM 249 CD2 PHE A 19 -8.986 5.219 -6.169 1.00 0.41 C ATOM 250 CE1 PHE A 19 -8.798 2.464 -6.328 1.00 0.50 C ATOM 251 CE2 PHE A 19 -8.080 4.540 -5.370 1.00 0.51 C ATOM 252 CZ PHE A 19 -7.984 3.151 -5.450 1.00 0.56 C ATOM 0 H PHE A 19 -9.061 6.213 -9.360 1.00 0.35 H new ATOM 0 HA PHE A 19 -10.628 3.854 -9.529 1.00 0.35 H new ATOM 0 HB2 PHE A 19 -10.674 6.332 -7.767 1.00 0.35 H new ATOM 0 HB3 PHE A 19 -11.814 5.017 -7.553 1.00 0.35 H new ATOM 0 HD1 PHE A 19 -10.338 2.603 -7.794 1.00 0.41 H new ATOM 0 HD2 PHE A 19 -9.053 6.295 -6.107 1.00 0.41 H new ATOM 0 HE1 PHE A 19 -8.728 1.389 -6.400 1.00 0.50 H new ATOM 0 HE2 PHE A 19 -7.448 5.086 -4.685 1.00 0.51 H new ATOM 0 HZ PHE A 19 -7.279 2.617 -4.830 1.00 0.56 H new ATOM 262 N ASP A 20 -12.040 6.712 -10.346 1.00 0.36 N ATOM 263 CA ASP A 20 -13.195 7.314 -10.991 1.00 0.38 C ATOM 264 C ASP A 20 -13.147 7.122 -12.500 1.00 0.44 C ATOM 265 O ASP A 20 -12.080 7.225 -13.111 1.00 0.50 O ATOM 266 CB ASP A 20 -13.246 8.804 -10.659 1.00 0.40 C ATOM 267 CG ASP A 20 -14.551 9.452 -11.056 1.00 0.43 C ATOM 268 OD1 ASP A 20 -15.565 9.240 -10.356 1.00 0.42 O ATOM 269 OD2 ASP A 20 -14.569 10.177 -12.064 1.00 0.54 O ATOM 0 H ASP A 20 -11.303 7.373 -10.102 1.00 0.36 H new ATOM 0 HA ASP A 20 -14.093 6.821 -10.617 1.00 0.38 H new ATOM 0 HB2 ASP A 20 -13.091 8.938 -9.588 1.00 0.40 H new ATOM 0 HB3 ASP A 20 -12.425 9.312 -11.166 1.00 0.40 H new ATOM 274 N LYS A 21 -14.293 6.812 -13.096 1.00 0.45 N ATOM 275 CA LYS A 21 -14.366 6.618 -14.537 1.00 0.52 C ATOM 276 C LYS A 21 -15.612 7.268 -15.135 1.00 0.55 C ATOM 277 O LYS A 21 -15.762 7.314 -16.354 1.00 0.72 O ATOM 278 CB LYS A 21 -14.346 5.126 -14.881 1.00 0.53 C ATOM 279 CG LYS A 21 -12.961 4.502 -14.803 1.00 0.58 C ATOM 280 CD LYS A 21 -12.034 5.027 -15.901 1.00 0.71 C ATOM 281 CE LYS A 21 -10.578 4.855 -15.510 1.00 0.73 C ATOM 282 NZ LYS A 21 -10.254 5.612 -14.272 1.00 0.62 N ATOM 0 H LYS A 21 -15.179 6.690 -12.606 1.00 0.45 H new ATOM 0 HA LYS A 21 -13.491 7.101 -14.971 1.00 0.52 H new ATOM 0 HB2 LYS A 21 -15.013 4.596 -14.201 1.00 0.53 H new ATOM 0 HB3 LYS A 21 -14.741 4.988 -15.887 1.00 0.53 H new ATOM 0 HG2 LYS A 21 -12.523 4.712 -13.827 1.00 0.58 H new ATOM 0 HG3 LYS A 21 -13.046 3.419 -14.887 1.00 0.58 H new ATOM 0 HD2 LYS A 21 -12.230 4.495 -16.832 1.00 0.71 H new ATOM 0 HD3 LYS A 21 -12.243 6.081 -16.086 1.00 0.71 H new ATOM 0 HE2 LYS A 21 -10.363 3.797 -15.358 1.00 0.73 H new ATOM 0 HE3 LYS A 21 -9.939 5.196 -16.324 1.00 0.73 H new ATOM 0 HZ1 LYS A 21 -9.410 6.198 -14.434 1.00 0.62 H new ATOM 0 HZ2 LYS A 21 -11.057 6.223 -14.019 1.00 0.62 H new ATOM 0 HZ3 LYS A 21 -10.068 4.945 -13.496 1.00 0.62 H new ATOM 296 N ASP A 22 -16.504 7.778 -14.294 1.00 0.49 N ATOM 297 CA ASP A 22 -17.717 8.418 -14.794 1.00 0.52 C ATOM 298 C ASP A 22 -17.532 9.928 -14.871 1.00 0.53 C ATOM 299 O ASP A 22 -18.338 10.636 -15.484 1.00 0.57 O ATOM 300 CB ASP A 22 -18.935 8.076 -13.920 1.00 0.51 C ATOM 301 CG ASP A 22 -18.690 8.334 -12.438 1.00 0.47 C ATOM 302 OD1 ASP A 22 -17.852 9.193 -12.103 1.00 0.47 O ATOM 303 OD2 ASP A 22 -19.307 7.660 -11.581 1.00 0.47 O ATOM 0 H ASP A 22 -16.414 7.763 -13.278 1.00 0.49 H new ATOM 0 HA ASP A 22 -17.904 8.033 -15.796 1.00 0.52 H new ATOM 0 HB2 ASP A 22 -19.790 8.666 -14.250 1.00 0.51 H new ATOM 0 HB3 ASP A 22 -19.196 7.028 -14.063 1.00 0.51 H new ATOM 308 N GLY A 23 -16.476 10.421 -14.244 1.00 0.52 N ATOM 309 CA GLY A 23 -16.198 11.836 -14.260 1.00 0.55 C ATOM 310 C GLY A 23 -16.985 12.591 -13.211 1.00 0.54 C ATOM 311 O GLY A 23 -17.035 13.819 -13.229 1.00 0.59 O ATOM 0 H GLY A 23 -15.804 9.860 -13.721 1.00 0.52 H new ATOM 0 HA2 GLY A 23 -15.132 11.996 -14.096 1.00 0.55 H new ATOM 0 HA3 GLY A 23 -16.432 12.238 -15.246 1.00 0.55 H new ATOM 315 N ASP A 24 -17.604 11.859 -12.299 1.00 0.50 N ATOM 316 CA ASP A 24 -18.396 12.477 -11.256 1.00 0.51 C ATOM 317 C ASP A 24 -17.495 12.905 -10.104 1.00 0.51 C ATOM 318 O ASP A 24 -17.774 13.884 -9.411 1.00 0.58 O ATOM 319 CB ASP A 24 -19.519 11.531 -10.796 1.00 0.50 C ATOM 320 CG ASP A 24 -19.306 10.956 -9.419 1.00 0.47 C ATOM 321 OD1 ASP A 24 -18.676 9.884 -9.308 1.00 0.44 O ATOM 322 OD2 ASP A 24 -19.771 11.568 -8.444 1.00 0.57 O ATOM 0 H ASP A 24 -17.572 10.840 -12.262 1.00 0.50 H new ATOM 0 HA ASP A 24 -18.877 13.372 -11.650 1.00 0.51 H new ATOM 0 HB2 ASP A 24 -20.465 12.072 -10.811 1.00 0.50 H new ATOM 0 HB3 ASP A 24 -19.608 10.713 -11.511 1.00 0.50 H new ATOM 327 N GLY A 25 -16.408 12.166 -9.912 1.00 0.47 N ATOM 328 CA GLY A 25 -15.455 12.491 -8.869 1.00 0.50 C ATOM 329 C GLY A 25 -15.616 11.646 -7.627 1.00 0.50 C ATOM 330 O GLY A 25 -14.673 11.507 -6.845 1.00 0.74 O ATOM 0 H GLY A 25 -16.170 11.342 -10.465 1.00 0.47 H new ATOM 0 HA2 GLY A 25 -14.445 12.364 -9.258 1.00 0.50 H new ATOM 0 HA3 GLY A 25 -15.564 13.542 -8.601 1.00 0.50 H new ATOM 334 N THR A 26 -16.793 11.072 -7.437 1.00 0.41 N ATOM 335 CA THR A 26 -17.043 10.257 -6.257 1.00 0.39 C ATOM 336 C THR A 26 -16.738 8.787 -6.526 1.00 0.34 C ATOM 337 O THR A 26 -17.029 8.262 -7.608 1.00 0.37 O ATOM 338 CB THR A 26 -18.501 10.393 -5.758 1.00 0.42 C ATOM 339 OG1 THR A 26 -18.989 11.715 -6.020 1.00 0.47 O ATOM 340 CG2 THR A 26 -18.599 10.115 -4.262 1.00 0.46 C ATOM 0 H THR A 26 -17.583 11.153 -8.077 1.00 0.41 H new ATOM 0 HA THR A 26 -16.375 10.627 -5.479 1.00 0.39 H new ATOM 0 HB THR A 26 -19.105 9.660 -6.293 1.00 0.42 H new ATOM 0 HG1 THR A 26 -19.272 11.780 -6.956 1.00 0.47 H new ATOM 0 HG21 THR A 26 -19.635 10.218 -3.940 1.00 0.46 H new ATOM 0 HG22 THR A 26 -18.254 9.101 -4.057 1.00 0.46 H new ATOM 0 HG23 THR A 26 -17.978 10.827 -3.718 1.00 0.46 H new ATOM 348 N ILE A 27 -16.148 8.134 -5.534 1.00 0.33 N ATOM 349 CA ILE A 27 -15.795 6.729 -5.630 1.00 0.31 C ATOM 350 C ILE A 27 -17.036 5.852 -5.431 1.00 0.32 C ATOM 351 O ILE A 27 -17.775 6.016 -4.461 1.00 0.41 O ATOM 352 CB ILE A 27 -14.722 6.347 -4.561 1.00 0.33 C ATOM 353 CG1 ILE A 27 -13.296 6.584 -5.079 1.00 0.34 C ATOM 354 CG2 ILE A 27 -14.884 4.902 -4.137 1.00 0.37 C ATOM 355 CD1 ILE A 27 -12.498 7.572 -4.253 1.00 0.37 C ATOM 0 H ILE A 27 -15.902 8.565 -4.643 1.00 0.33 H new ATOM 0 HA ILE A 27 -15.382 6.559 -6.624 1.00 0.31 H new ATOM 0 HB ILE A 27 -14.879 6.993 -3.697 1.00 0.33 H new ATOM 0 HG12 ILE A 27 -12.765 5.632 -5.101 1.00 0.34 H new ATOM 0 HG13 ILE A 27 -13.349 6.944 -6.107 1.00 0.34 H new ATOM 0 HG21 ILE A 27 -14.128 4.654 -3.392 1.00 0.37 H new ATOM 0 HG22 ILE A 27 -15.876 4.757 -3.709 1.00 0.37 H new ATOM 0 HG23 ILE A 27 -14.765 4.253 -5.004 1.00 0.37 H new ATOM 0 HD11 ILE A 27 -11.503 7.685 -4.683 1.00 0.37 H new ATOM 0 HD12 ILE A 27 -13.004 8.537 -4.251 1.00 0.37 H new ATOM 0 HD13 ILE A 27 -12.412 7.205 -3.230 1.00 0.37 H new ATOM 367 N THR A 28 -17.278 4.933 -6.358 1.00 0.31 N ATOM 368 CA THR A 28 -18.409 4.027 -6.241 1.00 0.33 C ATOM 369 C THR A 28 -17.906 2.597 -6.125 1.00 0.32 C ATOM 370 O THR A 28 -16.702 2.359 -6.187 1.00 0.33 O ATOM 371 CB THR A 28 -19.355 4.153 -7.440 1.00 0.37 C ATOM 372 OG1 THR A 28 -18.648 3.840 -8.642 1.00 0.39 O ATOM 373 CG2 THR A 28 -19.936 5.554 -7.506 1.00 0.41 C ATOM 0 H THR A 28 -16.709 4.797 -7.194 1.00 0.31 H new ATOM 0 HA THR A 28 -18.969 4.295 -5.345 1.00 0.33 H new ATOM 0 HB THR A 28 -20.180 3.450 -7.325 1.00 0.37 H new ATOM 0 HG1 THR A 28 -17.895 4.458 -8.749 1.00 0.39 H new ATOM 0 HG21 THR A 28 -20.606 5.630 -8.362 1.00 0.41 H new ATOM 0 HG22 THR A 28 -20.491 5.761 -6.591 1.00 0.41 H new ATOM 0 HG23 THR A 28 -19.128 6.278 -7.612 1.00 0.41 H new ATOM 381 N THR A 29 -18.811 1.648 -5.977 1.00 0.32 N ATOM 382 CA THR A 29 -18.412 0.265 -5.842 1.00 0.34 C ATOM 383 C THR A 29 -18.180 -0.359 -7.217 1.00 0.34 C ATOM 384 O THR A 29 -17.347 -1.258 -7.377 1.00 0.38 O ATOM 385 CB THR A 29 -19.493 -0.540 -5.101 1.00 0.38 C ATOM 386 OG1 THR A 29 -20.249 0.336 -4.244 1.00 0.57 O ATOM 387 CG2 THR A 29 -18.885 -1.659 -4.273 1.00 0.60 C ATOM 0 H THR A 29 -19.818 1.809 -5.948 1.00 0.32 H new ATOM 0 HA THR A 29 -17.485 0.237 -5.269 1.00 0.34 H new ATOM 0 HB THR A 29 -20.149 -0.988 -5.848 1.00 0.38 H new ATOM 0 HG1 THR A 29 -20.938 -0.180 -3.775 1.00 0.57 H new ATOM 0 HG21 THR A 29 -19.678 -2.207 -3.763 1.00 0.60 H new ATOM 0 HG22 THR A 29 -18.337 -2.338 -4.926 1.00 0.60 H new ATOM 0 HG23 THR A 29 -18.204 -1.236 -3.535 1.00 0.60 H new ATOM 395 N LYS A 30 -18.895 0.154 -8.227 1.00 0.35 N ATOM 396 CA LYS A 30 -18.793 -0.382 -9.571 1.00 0.39 C ATOM 397 C LYS A 30 -17.535 0.114 -10.258 1.00 0.36 C ATOM 398 O LYS A 30 -16.974 -0.587 -11.105 1.00 0.37 O ATOM 399 CB LYS A 30 -20.048 -0.029 -10.392 1.00 0.46 C ATOM 400 CG LYS A 30 -20.467 -1.120 -11.373 1.00 0.74 C ATOM 401 CD LYS A 30 -19.637 -1.051 -12.655 1.00 1.11 C ATOM 402 CE LYS A 30 -19.847 -2.280 -13.518 1.00 1.68 C ATOM 403 NZ LYS A 30 -18.905 -2.331 -14.662 1.00 2.22 N ATOM 0 H LYS A 30 -19.544 0.935 -8.130 1.00 0.35 H new ATOM 0 HA LYS A 30 -18.728 -1.468 -9.501 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -20.874 0.170 -9.709 1.00 0.46 H new ATOM 0 HB3 LYS A 30 -19.863 0.892 -10.944 1.00 0.46 H new ATOM 0 HG2 LYS A 30 -20.345 -2.098 -10.908 1.00 0.74 H new ATOM 0 HG3 LYS A 30 -21.525 -1.011 -11.614 1.00 0.74 H new ATOM 0 HD2 LYS A 30 -19.909 -0.158 -13.218 1.00 1.11 H new ATOM 0 HD3 LYS A 30 -18.581 -0.959 -12.402 1.00 1.11 H new ATOM 0 HE2 LYS A 30 -19.724 -3.175 -12.908 1.00 1.68 H new ATOM 0 HE3 LYS A 30 -20.871 -2.288 -13.892 1.00 1.68 H new ATOM 0 HZ1 LYS A 30 -19.086 -3.188 -15.223 1.00 2.22 H new ATOM 0 HZ2 LYS A 30 -19.039 -1.491 -15.260 1.00 2.22 H new ATOM 0 HZ3 LYS A 30 -17.928 -2.350 -14.306 1.00 2.22 H new ATOM 417 N GLU A 31 -17.046 1.308 -9.873 1.00 0.37 N ATOM 418 CA GLU A 31 -15.854 1.864 -10.481 1.00 0.37 C ATOM 419 C GLU A 31 -14.599 1.158 -9.964 1.00 0.36 C ATOM 420 O GLU A 31 -13.815 0.622 -10.753 1.00 0.38 O ATOM 421 CB GLU A 31 -15.779 3.371 -10.206 1.00 0.37 C ATOM 422 CG GLU A 31 -16.774 4.180 -11.034 1.00 0.42 C ATOM 423 CD GLU A 31 -16.848 5.636 -10.621 1.00 0.40 C ATOM 424 OE1 GLU A 31 -17.386 5.918 -9.539 1.00 0.39 O ATOM 425 OE2 GLU A 31 -16.394 6.519 -11.383 1.00 0.42 O ATOM 0 H GLU A 31 -17.464 1.891 -9.148 1.00 0.37 H new ATOM 0 HA GLU A 31 -15.908 1.706 -11.558 1.00 0.37 H new ATOM 0 HB2 GLU A 31 -15.965 3.551 -9.147 1.00 0.37 H new ATOM 0 HB3 GLU A 31 -14.769 3.723 -10.416 1.00 0.37 H new ATOM 0 HG2 GLU A 31 -16.494 4.121 -12.086 1.00 0.42 H new ATOM 0 HG3 GLU A 31 -17.763 3.732 -10.941 1.00 0.42 H new ATOM 432 N LEU A 32 -14.435 1.130 -8.646 1.00 0.35 N ATOM 433 CA LEU A 32 -13.272 0.490 -8.017 1.00 0.35 C ATOM 434 C LEU A 32 -13.211 -1.001 -8.355 1.00 0.36 C ATOM 435 O LEU A 32 -12.136 -1.564 -8.564 1.00 0.38 O ATOM 436 CB LEU A 32 -13.316 0.705 -6.504 1.00 0.35 C ATOM 437 CG LEU A 32 -12.746 2.047 -6.010 1.00 0.41 C ATOM 438 CD1 LEU A 32 -13.372 3.218 -6.752 1.00 0.50 C ATOM 439 CD2 LEU A 32 -12.967 2.186 -4.519 1.00 0.44 C ATOM 0 H LEU A 32 -15.093 1.543 -7.985 1.00 0.35 H new ATOM 0 HA LEU A 32 -12.367 0.952 -8.412 1.00 0.35 H new ATOM 0 HB2 LEU A 32 -14.351 0.626 -6.173 1.00 0.35 H new ATOM 0 HB3 LEU A 32 -12.765 -0.103 -6.023 1.00 0.35 H new ATOM 0 HG LEU A 32 -11.675 2.059 -6.213 1.00 0.41 H new ATOM 0 HD11 LEU A 32 -12.949 4.152 -6.381 1.00 0.50 H new ATOM 0 HD12 LEU A 32 -13.166 3.125 -7.818 1.00 0.50 H new ATOM 0 HD13 LEU A 32 -14.450 3.218 -6.589 1.00 0.50 H new ATOM 0 HD21 LEU A 32 -12.561 3.138 -4.178 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -14.035 2.150 -4.305 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -12.465 1.370 -3.999 1.00 0.44 H new ATOM 451 N GLY A 33 -14.390 -1.630 -8.409 1.00 0.39 N ATOM 452 CA GLY A 33 -14.480 -3.036 -8.766 1.00 0.42 C ATOM 453 C GLY A 33 -13.839 -3.313 -10.108 1.00 0.46 C ATOM 454 O GLY A 33 -13.220 -4.351 -10.300 1.00 0.50 O ATOM 0 H GLY A 33 -15.286 -1.185 -8.210 1.00 0.39 H new ATOM 0 HA2 GLY A 33 -13.994 -3.638 -7.999 1.00 0.42 H new ATOM 0 HA3 GLY A 33 -15.527 -3.339 -8.793 1.00 0.42 H new ATOM 458 N THR A 34 -13.967 -2.369 -11.022 1.00 0.46 N ATOM 459 CA THR A 34 -13.382 -2.500 -12.350 1.00 0.52 C ATOM 460 C THR A 34 -11.877 -2.640 -12.243 1.00 0.53 C ATOM 461 O THR A 34 -11.279 -3.530 -12.854 1.00 0.56 O ATOM 462 CB THR A 34 -13.760 -1.292 -13.232 1.00 0.54 C ATOM 463 OG1 THR A 34 -15.190 -1.218 -13.355 1.00 0.58 O ATOM 464 CG2 THR A 34 -13.144 -1.400 -14.619 1.00 0.60 C ATOM 0 H THR A 34 -14.474 -1.497 -10.871 1.00 0.46 H new ATOM 0 HA THR A 34 -13.781 -3.398 -12.822 1.00 0.52 H new ATOM 0 HB THR A 34 -13.373 -0.392 -12.755 1.00 0.54 H new ATOM 0 HG1 THR A 34 -15.581 -0.981 -12.488 1.00 0.58 H new ATOM 0 HG21 THR A 34 -13.431 -0.532 -15.213 1.00 0.60 H new ATOM 0 HG22 THR A 34 -12.058 -1.438 -14.533 1.00 0.60 H new ATOM 0 HG23 THR A 34 -13.501 -2.307 -15.106 1.00 0.60 H new ATOM 472 N VAL A 35 -11.231 -1.787 -11.425 1.00 0.53 N ATOM 473 CA VAL A 35 -9.792 -1.856 -11.255 1.00 0.55 C ATOM 474 C VAL A 35 -9.390 -3.149 -10.556 1.00 0.57 C ATOM 475 O VAL A 35 -8.414 -3.808 -10.932 1.00 0.58 O ATOM 476 CB VAL A 35 -9.247 -0.660 -10.432 1.00 0.58 C ATOM 477 CG1 VAL A 35 -7.720 -0.585 -10.518 1.00 0.63 C ATOM 478 CG2 VAL A 35 -9.843 0.648 -10.908 1.00 0.60 C ATOM 0 H VAL A 35 -11.689 -1.054 -10.883 1.00 0.53 H new ATOM 0 HA VAL A 35 -9.360 -1.822 -12.255 1.00 0.55 H new ATOM 0 HB VAL A 35 -9.537 -0.823 -9.394 1.00 0.58 H new ATOM 0 HG11 VAL A 35 -7.364 0.262 -9.932 1.00 0.63 H new ATOM 0 HG12 VAL A 35 -7.288 -1.505 -10.125 1.00 0.63 H new ATOM 0 HG13 VAL A 35 -7.420 -0.459 -11.558 1.00 0.63 H new ATOM 0 HG21 VAL A 35 -9.442 1.468 -10.313 1.00 0.60 H new ATOM 0 HG22 VAL A 35 -9.589 0.803 -11.957 1.00 0.60 H new ATOM 0 HG23 VAL A 35 -10.927 0.615 -10.798 1.00 0.60 H new ATOM 488 N MET A 36 -10.169 -3.505 -9.550 1.00 0.58 N ATOM 489 CA MET A 36 -9.942 -4.720 -8.767 1.00 0.62 C ATOM 490 C MET A 36 -10.202 -5.971 -9.608 1.00 0.62 C ATOM 491 O MET A 36 -9.846 -7.077 -9.203 1.00 0.67 O ATOM 492 CB MET A 36 -10.847 -4.732 -7.518 1.00 0.65 C ATOM 493 CG MET A 36 -10.407 -5.728 -6.449 1.00 0.82 C ATOM 494 SD MET A 36 -11.452 -5.675 -4.979 1.00 0.92 S ATOM 495 CE MET A 36 -11.338 -3.942 -4.531 1.00 1.07 C ATOM 0 H MET A 36 -10.979 -2.964 -9.248 1.00 0.58 H new ATOM 0 HA MET A 36 -8.898 -4.725 -8.452 1.00 0.62 H new ATOM 0 HB2 MET A 36 -10.865 -3.732 -7.084 1.00 0.65 H new ATOM 0 HB3 MET A 36 -11.867 -4.966 -7.822 1.00 0.65 H new ATOM 0 HG2 MET A 36 -10.424 -6.735 -6.866 1.00 0.82 H new ATOM 0 HG3 MET A 36 -9.376 -5.518 -6.165 1.00 0.82 H new ATOM 0 HE1 MET A 36 -11.718 -3.802 -3.519 1.00 1.07 H new ATOM 0 HE2 MET A 36 -10.297 -3.623 -4.575 1.00 1.07 H new ATOM 0 HE3 MET A 36 -11.929 -3.347 -5.227 1.00 1.07 H new ATOM 505 N ARG A 37 -10.793 -5.783 -10.784 1.00 0.60 N ATOM 506 CA ARG A 37 -11.107 -6.879 -11.692 1.00 0.63 C ATOM 507 C ARG A 37 -9.890 -7.182 -12.565 1.00 0.65 C ATOM 508 O ARG A 37 -9.545 -8.341 -12.773 1.00 0.68 O ATOM 509 CB ARG A 37 -12.317 -6.495 -12.559 1.00 0.64 C ATOM 510 CG ARG A 37 -12.671 -7.514 -13.631 1.00 0.72 C ATOM 511 CD ARG A 37 -12.996 -6.832 -14.953 1.00 0.83 C ATOM 512 NE ARG A 37 -11.931 -5.932 -15.394 1.00 0.86 N ATOM 513 CZ ARG A 37 -12.107 -4.949 -16.279 1.00 1.25 C ATOM 514 NH1 ARG A 37 -13.289 -4.780 -16.864 1.00 1.82 N ATOM 515 NH2 ARG A 37 -11.098 -4.146 -16.586 1.00 1.32 N ATOM 0 H ARG A 37 -11.068 -4.865 -11.134 1.00 0.60 H new ATOM 0 HA ARG A 37 -11.357 -7.774 -11.122 1.00 0.63 H new ATOM 0 HB2 ARG A 37 -13.182 -6.352 -11.911 1.00 0.64 H new ATOM 0 HB3 ARG A 37 -12.116 -5.537 -13.038 1.00 0.64 H new ATOM 0 HG2 ARG A 37 -11.839 -8.204 -13.770 1.00 0.72 H new ATOM 0 HG3 ARG A 37 -13.526 -8.107 -13.305 1.00 0.72 H new ATOM 0 HD2 ARG A 37 -13.167 -7.590 -15.717 1.00 0.83 H new ATOM 0 HD3 ARG A 37 -13.924 -6.269 -14.850 1.00 0.83 H new ATOM 0 HE ARG A 37 -10.999 -6.063 -15.002 1.00 0.86 H new ATOM 0 HH11 ARG A 37 -14.064 -5.403 -16.637 1.00 1.82 H new ATOM 0 HH12 ARG A 37 -13.421 -4.028 -17.540 1.00 1.82 H new ATOM 0 HH21 ARG A 37 -10.188 -4.280 -16.146 1.00 1.32 H new ATOM 0 HH22 ARG A 37 -11.232 -3.394 -17.262 1.00 1.32 H new ATOM 529 N SER A 38 -9.247 -6.126 -13.043 1.00 0.64 N ATOM 530 CA SER A 38 -8.069 -6.267 -13.894 1.00 0.68 C ATOM 531 C SER A 38 -6.882 -6.740 -13.068 1.00 0.66 C ATOM 532 O SER A 38 -5.860 -7.183 -13.612 1.00 0.69 O ATOM 533 CB SER A 38 -7.769 -4.940 -14.551 1.00 0.70 C ATOM 534 OG SER A 38 -8.963 -4.219 -14.816 1.00 0.80 O ATOM 0 H SER A 38 -9.520 -5.161 -12.857 1.00 0.64 H new ATOM 0 HA SER A 38 -8.261 -7.010 -14.668 1.00 0.68 H new ATOM 0 HB2 SER A 38 -7.120 -4.349 -13.905 1.00 0.70 H new ATOM 0 HB3 SER A 38 -7.227 -5.106 -15.482 1.00 0.70 H new ATOM 0 HG SER A 38 -8.741 -3.363 -15.240 1.00 0.80 H new ATOM 540 N LEU A 39 -7.016 -6.637 -11.745 1.00 0.66 N ATOM 541 CA LEU A 39 -5.965 -7.076 -10.833 1.00 0.67 C ATOM 542 C LEU A 39 -5.837 -8.599 -10.850 1.00 0.73 C ATOM 543 O LEU A 39 -4.843 -9.152 -10.376 1.00 0.86 O ATOM 544 CB LEU A 39 -6.251 -6.600 -9.410 1.00 0.62 C ATOM 545 CG LEU A 39 -6.052 -5.095 -9.166 1.00 0.58 C ATOM 546 CD1 LEU A 39 -6.088 -4.790 -7.677 1.00 0.60 C ATOM 547 CD2 LEU A 39 -4.741 -4.607 -9.792 1.00 0.57 C ATOM 0 H LEU A 39 -7.841 -6.254 -11.284 1.00 0.66 H new ATOM 0 HA LEU A 39 -5.025 -6.638 -11.170 1.00 0.67 H new ATOM 0 HB2 LEU A 39 -7.279 -6.859 -9.158 1.00 0.62 H new ATOM 0 HB3 LEU A 39 -5.607 -7.150 -8.724 1.00 0.62 H new ATOM 0 HG LEU A 39 -6.871 -4.559 -9.646 1.00 0.58 H new ATOM 0 HD11 LEU A 39 -5.946 -3.721 -7.521 1.00 0.60 H new ATOM 0 HD12 LEU A 39 -7.052 -5.091 -7.267 1.00 0.60 H new ATOM 0 HD13 LEU A 39 -5.292 -5.339 -7.174 1.00 0.60 H new ATOM 0 HD21 LEU A 39 -4.624 -3.540 -9.605 1.00 0.57 H new ATOM 0 HD22 LEU A 39 -3.904 -5.147 -9.350 1.00 0.57 H new ATOM 0 HD23 LEU A 39 -4.762 -4.787 -10.867 1.00 0.57 H new ATOM 559 N GLY A 40 -6.840 -9.265 -11.408 1.00 0.74 N ATOM 560 CA GLY A 40 -6.834 -10.711 -11.481 1.00 0.82 C ATOM 561 C GLY A 40 -7.658 -11.353 -10.390 1.00 0.79 C ATOM 562 O GLY A 40 -7.508 -12.537 -10.102 1.00 0.89 O ATOM 0 H GLY A 40 -7.664 -8.823 -11.815 1.00 0.74 H new ATOM 0 HA2 GLY A 40 -7.218 -11.023 -12.452 1.00 0.82 H new ATOM 0 HA3 GLY A 40 -5.807 -11.070 -11.414 1.00 0.82 H new ATOM 566 N GLN A 41 -8.535 -10.571 -9.779 1.00 0.80 N ATOM 567 CA GLN A 41 -9.393 -11.077 -8.713 1.00 0.79 C ATOM 568 C GLN A 41 -10.840 -10.715 -8.982 1.00 0.77 C ATOM 569 O GLN A 41 -11.126 -9.762 -9.704 1.00 0.92 O ATOM 570 CB GLN A 41 -8.944 -10.522 -7.362 1.00 0.82 C ATOM 571 CG GLN A 41 -7.523 -10.924 -6.997 1.00 0.93 C ATOM 572 CD GLN A 41 -7.112 -10.445 -5.620 1.00 1.02 C ATOM 573 OE1 GLN A 41 -7.260 -11.160 -4.630 1.00 1.25 O ATOM 574 NE2 GLN A 41 -6.595 -9.225 -5.546 1.00 1.23 N ATOM 0 H GLN A 41 -8.673 -9.585 -10.001 1.00 0.80 H new ATOM 0 HA GLN A 41 -9.310 -12.163 -8.686 1.00 0.79 H new ATOM 0 HB2 GLN A 41 -9.015 -9.434 -7.381 1.00 0.82 H new ATOM 0 HB3 GLN A 41 -9.625 -10.873 -6.587 1.00 0.82 H new ATOM 0 HG2 GLN A 41 -7.435 -12.010 -7.040 1.00 0.93 H new ATOM 0 HG3 GLN A 41 -6.834 -10.519 -7.738 1.00 0.93 H new ATOM 0 HE21 GLN A 41 -6.489 -8.664 -6.391 1.00 1.23 H new ATOM 0 HE22 GLN A 41 -6.304 -8.848 -4.644 1.00 1.23 H new ATOM 583 N ASN A 42 -11.751 -11.473 -8.404 1.00 0.69 N ATOM 584 CA ASN A 42 -13.171 -11.234 -8.605 1.00 0.69 C ATOM 585 C ASN A 42 -13.901 -11.147 -7.265 1.00 0.65 C ATOM 586 O ASN A 42 -14.071 -12.157 -6.578 1.00 0.74 O ATOM 587 CB ASN A 42 -13.763 -12.358 -9.453 1.00 0.76 C ATOM 588 CG ASN A 42 -15.163 -12.046 -9.927 1.00 1.02 C ATOM 589 OD1 ASN A 42 -16.136 -12.215 -9.195 1.00 1.37 O ATOM 590 ND2 ASN A 42 -15.274 -11.618 -11.171 1.00 1.33 N ATOM 0 H ASN A 42 -11.536 -12.260 -7.791 1.00 0.69 H new ATOM 0 HA ASN A 42 -13.297 -10.283 -9.123 1.00 0.69 H new ATOM 0 HB2 ASN A 42 -13.121 -12.535 -10.316 1.00 0.76 H new ATOM 0 HB3 ASN A 42 -13.776 -13.280 -8.871 1.00 0.76 H new ATOM 0 HD21 ASN A 42 -16.195 -11.414 -11.560 1.00 1.33 H new ATOM 0 HD22 ASN A 42 -14.439 -11.492 -11.743 1.00 1.33 H new ATOM 597 N PRO A 43 -14.310 -9.939 -6.864 1.00 0.60 N ATOM 598 CA PRO A 43 -15.018 -9.726 -5.612 1.00 0.61 C ATOM 599 C PRO A 43 -16.542 -9.799 -5.764 1.00 0.56 C ATOM 600 O PRO A 43 -17.107 -9.281 -6.734 1.00 0.55 O ATOM 601 CB PRO A 43 -14.591 -8.310 -5.231 1.00 0.65 C ATOM 602 CG PRO A 43 -14.312 -7.610 -6.520 1.00 0.74 C ATOM 603 CD PRO A 43 -14.077 -8.673 -7.574 1.00 0.66 C ATOM 0 HA PRO A 43 -14.781 -10.490 -4.871 1.00 0.61 H new ATOM 0 HB2 PRO A 43 -15.376 -7.802 -4.672 1.00 0.65 H new ATOM 0 HB3 PRO A 43 -13.706 -8.326 -4.595 1.00 0.65 H new ATOM 0 HG2 PRO A 43 -15.151 -6.972 -6.799 1.00 0.74 H new ATOM 0 HG3 PRO A 43 -13.439 -6.965 -6.425 1.00 0.74 H new ATOM 0 HD2 PRO A 43 -14.759 -8.557 -8.416 1.00 0.66 H new ATOM 0 HD3 PRO A 43 -13.064 -8.621 -7.974 1.00 0.66 H new ATOM 611 N THR A 44 -17.194 -10.442 -4.805 1.00 0.58 N ATOM 612 CA THR A 44 -18.647 -10.572 -4.803 1.00 0.58 C ATOM 613 C THR A 44 -19.280 -9.362 -4.116 1.00 0.52 C ATOM 614 O THR A 44 -18.566 -8.491 -3.623 1.00 0.49 O ATOM 615 CB THR A 44 -19.099 -11.862 -4.079 1.00 0.67 C ATOM 616 OG1 THR A 44 -18.509 -11.920 -2.766 1.00 0.91 O ATOM 617 CG2 THR A 44 -18.693 -13.098 -4.877 1.00 1.04 C ATOM 0 H THR A 44 -16.735 -10.886 -4.010 1.00 0.58 H new ATOM 0 HA THR A 44 -18.975 -10.625 -5.841 1.00 0.58 H new ATOM 0 HB THR A 44 -20.185 -11.844 -3.990 1.00 0.67 H new ATOM 0 HG1 THR A 44 -17.585 -12.239 -2.836 1.00 0.91 H new ATOM 0 HG21 THR A 44 -19.020 -13.995 -4.351 1.00 1.04 H new ATOM 0 HG22 THR A 44 -19.159 -13.065 -5.862 1.00 1.04 H new ATOM 0 HG23 THR A 44 -17.609 -13.119 -4.990 1.00 1.04 H new ATOM 625 N GLU A 45 -20.611 -9.303 -4.112 1.00 0.53 N ATOM 626 CA GLU A 45 -21.353 -8.206 -3.468 1.00 0.54 C ATOM 627 C GLU A 45 -20.900 -8.025 -2.013 1.00 0.50 C ATOM 628 O GLU A 45 -20.758 -6.900 -1.529 1.00 0.54 O ATOM 629 CB GLU A 45 -22.849 -8.498 -3.543 1.00 0.62 C ATOM 630 CG GLU A 45 -23.724 -7.280 -3.835 1.00 0.97 C ATOM 631 CD GLU A 45 -24.118 -6.512 -2.594 1.00 1.50 C ATOM 632 OE1 GLU A 45 -24.061 -7.096 -1.491 1.00 2.18 O ATOM 633 OE2 GLU A 45 -24.494 -5.326 -2.721 1.00 1.89 O ATOM 0 H GLU A 45 -21.207 -10.006 -4.550 1.00 0.53 H new ATOM 0 HA GLU A 45 -21.147 -7.274 -3.994 1.00 0.54 H new ATOM 0 HB2 GLU A 45 -23.021 -9.246 -4.317 1.00 0.62 H new ATOM 0 HB3 GLU A 45 -23.167 -8.939 -2.598 1.00 0.62 H new ATOM 0 HG2 GLU A 45 -23.191 -6.613 -4.512 1.00 0.97 H new ATOM 0 HG3 GLU A 45 -24.626 -7.606 -4.353 1.00 0.97 H new ATOM 640 N ALA A 46 -20.635 -9.133 -1.339 1.00 0.51 N ATOM 641 CA ALA A 46 -20.187 -9.104 0.045 1.00 0.54 C ATOM 642 C ALA A 46 -18.766 -8.546 0.142 1.00 0.50 C ATOM 643 O ALA A 46 -18.459 -7.762 1.042 1.00 0.51 O ATOM 644 CB ALA A 46 -20.267 -10.501 0.650 1.00 0.63 C ATOM 0 H ALA A 46 -20.723 -10.070 -1.731 1.00 0.51 H new ATOM 0 HA ALA A 46 -20.844 -8.444 0.612 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -19.930 -10.469 1.686 1.00 0.63 H new ATOM 0 HB2 ALA A 46 -21.298 -10.854 0.615 1.00 0.63 H new ATOM 0 HB3 ALA A 46 -19.631 -11.180 0.082 1.00 0.63 H new ATOM 650 N GLU A 47 -17.922 -8.923 -0.817 1.00 0.49 N ATOM 651 CA GLU A 47 -16.535 -8.459 -0.847 1.00 0.51 C ATOM 652 C GLU A 47 -16.484 -6.972 -1.212 1.00 0.49 C ATOM 653 O GLU A 47 -15.737 -6.186 -0.620 1.00 0.51 O ATOM 654 CB GLU A 47 -15.710 -9.268 -1.858 1.00 0.56 C ATOM 655 CG GLU A 47 -14.887 -10.381 -1.232 1.00 0.73 C ATOM 656 CD GLU A 47 -15.274 -11.749 -1.765 1.00 0.95 C ATOM 657 OE1 GLU A 47 -15.905 -11.805 -2.839 1.00 1.28 O ATOM 658 OE2 GLU A 47 -14.961 -12.768 -1.113 1.00 1.57 O ATOM 0 H GLU A 47 -18.173 -9.548 -1.583 1.00 0.49 H new ATOM 0 HA GLU A 47 -16.107 -8.602 0.145 1.00 0.51 H new ATOM 0 HB2 GLU A 47 -16.383 -9.700 -2.598 1.00 0.56 H new ATOM 0 HB3 GLU A 47 -15.042 -8.591 -2.391 1.00 0.56 H new ATOM 0 HG2 GLU A 47 -13.830 -10.203 -1.427 1.00 0.73 H new ATOM 0 HG3 GLU A 47 -15.019 -10.364 -0.150 1.00 0.73 H new ATOM 665 N LEU A 48 -17.318 -6.591 -2.179 1.00 0.47 N ATOM 666 CA LEU A 48 -17.397 -5.209 -2.640 1.00 0.50 C ATOM 667 C LEU A 48 -17.885 -4.287 -1.534 1.00 0.48 C ATOM 668 O LEU A 48 -17.608 -3.087 -1.549 1.00 0.53 O ATOM 669 CB LEU A 48 -18.327 -5.095 -3.847 1.00 0.53 C ATOM 670 CG LEU A 48 -17.707 -5.482 -5.187 1.00 0.57 C ATOM 671 CD1 LEU A 48 -18.744 -5.368 -6.293 1.00 0.64 C ATOM 672 CD2 LEU A 48 -16.521 -4.582 -5.505 1.00 0.62 C ATOM 0 H LEU A 48 -17.953 -7.228 -2.661 1.00 0.47 H new ATOM 0 HA LEU A 48 -16.392 -4.903 -2.931 1.00 0.50 H new ATOM 0 HB2 LEU A 48 -19.199 -5.725 -3.674 1.00 0.53 H new ATOM 0 HB3 LEU A 48 -18.684 -4.067 -3.914 1.00 0.53 H new ATOM 0 HG LEU A 48 -17.360 -6.513 -5.121 1.00 0.57 H new ATOM 0 HD11 LEU A 48 -18.292 -5.646 -7.245 1.00 0.64 H new ATOM 0 HD12 LEU A 48 -19.579 -6.035 -6.079 1.00 0.64 H new ATOM 0 HD13 LEU A 48 -19.105 -4.341 -6.349 1.00 0.64 H new ATOM 0 HD21 LEU A 48 -16.091 -4.872 -6.464 1.00 0.62 H new ATOM 0 HD22 LEU A 48 -16.854 -3.545 -5.555 1.00 0.62 H new ATOM 0 HD23 LEU A 48 -15.768 -4.683 -4.724 1.00 0.62 H new ATOM 684 N GLN A 49 -18.600 -4.847 -0.567 1.00 0.48 N ATOM 685 CA GLN A 49 -19.114 -4.067 0.533 1.00 0.50 C ATOM 686 C GLN A 49 -18.065 -4.011 1.638 1.00 0.49 C ATOM 687 O GLN A 49 -17.900 -2.995 2.306 1.00 0.49 O ATOM 688 CB GLN A 49 -20.397 -4.691 1.084 1.00 0.57 C ATOM 689 CG GLN A 49 -21.477 -3.672 1.414 1.00 0.73 C ATOM 690 CD GLN A 49 -22.415 -3.425 0.249 1.00 0.98 C ATOM 691 OE1 GLN A 49 -22.897 -2.310 0.039 1.00 1.18 O ATOM 692 NE2 GLN A 49 -22.689 -4.468 -0.505 1.00 1.26 N ATOM 0 H GLN A 49 -18.833 -5.839 -0.529 1.00 0.48 H new ATOM 0 HA GLN A 49 -19.340 -3.062 0.177 1.00 0.50 H new ATOM 0 HB2 GLN A 49 -20.789 -5.400 0.354 1.00 0.57 H new ATOM 0 HB3 GLN A 49 -20.158 -5.259 1.983 1.00 0.57 H new ATOM 0 HG2 GLN A 49 -22.052 -4.021 2.272 1.00 0.73 H new ATOM 0 HG3 GLN A 49 -21.009 -2.732 1.705 1.00 0.73 H new ATOM 0 HE21 GLN A 49 -22.268 -5.373 -0.296 1.00 1.26 H new ATOM 0 HE22 GLN A 49 -23.322 -4.371 -1.299 1.00 1.26 H new ATOM 701 N ASP A 50 -17.382 -5.135 1.803 1.00 0.50 N ATOM 702 CA ASP A 50 -16.322 -5.273 2.795 1.00 0.53 C ATOM 703 C ASP A 50 -15.205 -4.269 2.526 1.00 0.50 C ATOM 704 O ASP A 50 -14.684 -3.634 3.442 1.00 0.53 O ATOM 705 CB ASP A 50 -15.758 -6.694 2.777 1.00 0.58 C ATOM 706 CG ASP A 50 -14.682 -6.908 3.825 1.00 0.81 C ATOM 707 OD1 ASP A 50 -15.039 -7.120 4.999 1.00 0.90 O ATOM 708 OD2 ASP A 50 -13.478 -6.880 3.485 1.00 1.38 O ATOM 0 H ASP A 50 -17.546 -5.978 1.253 1.00 0.50 H new ATOM 0 HA ASP A 50 -16.746 -5.073 3.779 1.00 0.53 H new ATOM 0 HB2 ASP A 50 -16.568 -7.404 2.943 1.00 0.58 H new ATOM 0 HB3 ASP A 50 -15.346 -6.905 1.790 1.00 0.58 H new ATOM 713 N MET A 51 -14.853 -4.126 1.253 1.00 0.47 N ATOM 714 CA MET A 51 -13.798 -3.206 0.838 1.00 0.47 C ATOM 715 C MET A 51 -14.170 -1.770 1.148 1.00 0.44 C ATOM 716 O MET A 51 -13.400 -1.035 1.779 1.00 0.46 O ATOM 717 CB MET A 51 -13.514 -3.342 -0.656 1.00 0.49 C ATOM 718 CG MET A 51 -12.857 -4.660 -1.016 1.00 0.54 C ATOM 719 SD MET A 51 -11.070 -4.596 -0.844 1.00 0.88 S ATOM 720 CE MET A 51 -10.682 -6.333 -1.028 1.00 1.38 C ATOM 0 H MET A 51 -15.286 -4.639 0.485 1.00 0.47 H new ATOM 0 HA MET A 51 -12.901 -3.468 1.400 1.00 0.47 H new ATOM 0 HB2 MET A 51 -14.449 -3.245 -1.208 1.00 0.49 H new ATOM 0 HB3 MET A 51 -12.870 -2.522 -0.974 1.00 0.49 H new ATOM 0 HG2 MET A 51 -13.254 -5.449 -0.377 1.00 0.54 H new ATOM 0 HG3 MET A 51 -13.112 -4.923 -2.042 1.00 0.54 H new ATOM 0 HE1 MET A 51 -9.604 -6.476 -0.947 1.00 1.38 H new ATOM 0 HE2 MET A 51 -11.183 -6.903 -0.245 1.00 1.38 H new ATOM 0 HE3 MET A 51 -11.022 -6.680 -2.004 1.00 1.38 H new ATOM 730 N ILE A 52 -15.351 -1.372 0.708 1.00 0.42 N ATOM 731 CA ILE A 52 -15.828 -0.011 0.945 1.00 0.43 C ATOM 732 C ILE A 52 -15.974 0.251 2.436 1.00 0.46 C ATOM 733 O ILE A 52 -15.676 1.340 2.902 1.00 0.46 O ATOM 734 CB ILE A 52 -17.181 0.266 0.248 1.00 0.43 C ATOM 735 CG1 ILE A 52 -17.104 -0.055 -1.254 1.00 0.43 C ATOM 736 CG2 ILE A 52 -17.621 1.718 0.462 1.00 0.48 C ATOM 737 CD1 ILE A 52 -16.183 0.848 -2.044 1.00 0.48 C ATOM 0 H ILE A 52 -15.998 -1.964 0.187 1.00 0.42 H new ATOM 0 HA ILE A 52 -15.082 0.660 0.519 1.00 0.43 H new ATOM 0 HB ILE A 52 -17.926 -0.389 0.700 1.00 0.43 H new ATOM 0 HG12 ILE A 52 -16.772 -1.086 -1.375 1.00 0.43 H new ATOM 0 HG13 ILE A 52 -18.106 0.009 -1.678 1.00 0.43 H new ATOM 0 HG21 ILE A 52 -18.575 1.887 -0.038 1.00 0.48 H new ATOM 0 HG22 ILE A 52 -17.732 1.911 1.529 1.00 0.48 H new ATOM 0 HG23 ILE A 52 -16.870 2.391 0.047 1.00 0.48 H new ATOM 0 HD11 ILE A 52 -16.191 0.549 -3.092 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -16.524 1.880 -1.959 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -15.169 0.767 -1.651 1.00 0.48 H new ATOM 749 N ASN A 53 -16.441 -0.768 3.159 1.00 0.52 N ATOM 750 CA ASN A 53 -16.645 -0.699 4.614 1.00 0.59 C ATOM 751 C ASN A 53 -15.389 -0.224 5.344 1.00 0.61 C ATOM 752 O ASN A 53 -15.465 0.491 6.347 1.00 0.66 O ATOM 753 CB ASN A 53 -17.071 -2.076 5.155 1.00 0.68 C ATOM 754 CG ASN A 53 -16.935 -2.186 6.660 1.00 1.02 C ATOM 755 OD1 ASN A 53 -17.728 -1.634 7.419 1.00 1.29 O ATOM 756 ND2 ASN A 53 -15.912 -2.901 7.096 1.00 1.40 N ATOM 0 H ASN A 53 -16.691 -1.670 2.754 1.00 0.52 H new ATOM 0 HA ASN A 53 -17.435 0.029 4.799 1.00 0.59 H new ATOM 0 HB2 ASN A 53 -18.107 -2.267 4.874 1.00 0.68 H new ATOM 0 HB3 ASN A 53 -16.465 -2.849 4.683 1.00 0.68 H new ATOM 0 HD21 ASN A 53 -15.757 -3.011 8.098 1.00 1.40 H new ATOM 0 HD22 ASN A 53 -15.278 -3.342 6.430 1.00 1.40 H new ATOM 763 N GLU A 54 -14.224 -0.630 4.829 1.00 0.61 N ATOM 764 CA GLU A 54 -12.950 -0.265 5.428 1.00 0.66 C ATOM 765 C GLU A 54 -12.785 1.255 5.492 1.00 0.61 C ATOM 766 O GLU A 54 -12.245 1.796 6.458 1.00 0.71 O ATOM 767 CB GLU A 54 -11.784 -0.870 4.644 1.00 0.73 C ATOM 768 CG GLU A 54 -10.894 -1.786 5.477 1.00 1.31 C ATOM 769 CD GLU A 54 -10.226 -1.053 6.623 1.00 2.20 C ATOM 770 OE1 GLU A 54 -9.656 0.033 6.395 1.00 2.70 O ATOM 771 OE2 GLU A 54 -10.290 -1.556 7.762 1.00 2.84 O ATOM 0 H GLU A 54 -14.144 -1.213 3.996 1.00 0.61 H new ATOM 0 HA GLU A 54 -12.943 -0.664 6.442 1.00 0.66 H new ATOM 0 HB2 GLU A 54 -12.180 -1.433 3.799 1.00 0.73 H new ATOM 0 HB3 GLU A 54 -11.177 -0.063 4.233 1.00 0.73 H new ATOM 0 HG2 GLU A 54 -11.491 -2.607 5.873 1.00 1.31 H new ATOM 0 HG3 GLU A 54 -10.130 -2.227 4.837 1.00 1.31 H new ATOM 778 N VAL A 55 -13.280 1.943 4.462 1.00 0.51 N ATOM 779 CA VAL A 55 -13.178 3.395 4.381 1.00 0.47 C ATOM 780 C VAL A 55 -14.452 4.061 4.857 1.00 0.44 C ATOM 781 O VAL A 55 -14.404 5.047 5.591 1.00 0.51 O ATOM 782 CB VAL A 55 -12.901 3.850 2.935 1.00 0.49 C ATOM 783 CG1 VAL A 55 -12.539 5.323 2.886 1.00 0.82 C ATOM 784 CG2 VAL A 55 -11.825 2.989 2.314 1.00 0.59 C ATOM 0 H VAL A 55 -13.757 1.512 3.670 1.00 0.51 H new ATOM 0 HA VAL A 55 -12.350 3.691 5.025 1.00 0.47 H new ATOM 0 HB VAL A 55 -13.812 3.725 2.350 1.00 0.49 H new ATOM 0 HG11 VAL A 55 -12.349 5.617 1.854 1.00 0.82 H new ATOM 0 HG12 VAL A 55 -13.363 5.914 3.285 1.00 0.82 H new ATOM 0 HG13 VAL A 55 -11.644 5.498 3.484 1.00 0.82 H new ATOM 0 HG21 VAL A 55 -11.638 3.320 1.292 1.00 0.59 H new ATOM 0 HG22 VAL A 55 -10.908 3.076 2.897 1.00 0.59 H new ATOM 0 HG23 VAL A 55 -12.152 1.949 2.304 1.00 0.59 H new ATOM 794 N ASP A 56 -15.588 3.526 4.429 1.00 0.48 N ATOM 795 CA ASP A 56 -16.883 4.070 4.799 1.00 0.47 C ATOM 796 C ASP A 56 -17.167 3.862 6.286 1.00 0.50 C ATOM 797 O ASP A 56 -17.506 2.759 6.722 1.00 0.55 O ATOM 798 CB ASP A 56 -17.981 3.424 3.952 1.00 0.48 C ATOM 799 CG ASP A 56 -19.281 4.198 4.020 1.00 0.47 C ATOM 800 OD1 ASP A 56 -19.436 5.167 3.247 1.00 0.48 O ATOM 801 OD2 ASP A 56 -20.156 3.838 4.827 1.00 0.53 O ATOM 0 H ASP A 56 -15.636 2.709 3.820 1.00 0.48 H new ATOM 0 HA ASP A 56 -16.869 5.143 4.609 1.00 0.47 H new ATOM 0 HB2 ASP A 56 -17.650 3.362 2.915 1.00 0.48 H new ATOM 0 HB3 ASP A 56 -18.149 2.403 4.294 1.00 0.48 H new ATOM 806 N ALA A 57 -17.019 4.935 7.061 1.00 0.55 N ATOM 807 CA ALA A 57 -17.257 4.898 8.504 1.00 0.60 C ATOM 808 C ALA A 57 -18.498 5.706 8.848 1.00 0.62 C ATOM 809 O ALA A 57 -18.928 5.767 10.001 1.00 0.67 O ATOM 810 CB ALA A 57 -16.051 5.437 9.253 1.00 0.68 C ATOM 0 H ALA A 57 -16.733 5.849 6.710 1.00 0.55 H new ATOM 0 HA ALA A 57 -17.417 3.863 8.807 1.00 0.60 H new ATOM 0 HB1 ALA A 57 -16.244 5.403 10.325 1.00 0.68 H new ATOM 0 HB2 ALA A 57 -15.177 4.828 9.022 1.00 0.68 H new ATOM 0 HB3 ALA A 57 -15.865 6.468 8.950 1.00 0.68 H new ATOM 816 N ASP A 58 -19.054 6.361 7.840 1.00 0.60 N ATOM 817 CA ASP A 58 -20.258 7.160 8.025 1.00 0.65 C ATOM 818 C ASP A 58 -21.501 6.275 7.909 1.00 0.66 C ATOM 819 O ASP A 58 -22.565 6.605 8.443 1.00 0.73 O ATOM 820 CB ASP A 58 -20.307 8.318 7.005 1.00 0.66 C ATOM 821 CG ASP A 58 -21.155 8.015 5.784 1.00 0.64 C ATOM 822 OD1 ASP A 58 -22.380 8.249 5.831 1.00 0.74 O ATOM 823 OD2 ASP A 58 -20.601 7.557 4.761 1.00 0.61 O ATOM 0 H ASP A 58 -18.692 6.356 6.886 1.00 0.60 H new ATOM 0 HA ASP A 58 -20.238 7.596 9.024 1.00 0.65 H new ATOM 0 HB2 ASP A 58 -20.698 9.208 7.497 1.00 0.66 H new ATOM 0 HB3 ASP A 58 -19.292 8.551 6.684 1.00 0.66 H new ATOM 828 N GLY A 59 -21.349 5.133 7.234 1.00 0.62 N ATOM 829 CA GLY A 59 -22.447 4.210 7.055 1.00 0.64 C ATOM 830 C GLY A 59 -23.330 4.579 5.884 1.00 0.67 C ATOM 831 O GLY A 59 -24.550 4.645 6.011 1.00 0.90 O ATOM 0 H GLY A 59 -20.472 4.835 6.806 1.00 0.62 H new ATOM 0 HA2 GLY A 59 -22.052 3.205 6.905 1.00 0.64 H new ATOM 0 HA3 GLY A 59 -23.047 4.184 7.964 1.00 0.64 H new ATOM 835 N ASN A 60 -22.713 4.812 4.741 1.00 0.57 N ATOM 836 CA ASN A 60 -23.446 5.176 3.533 1.00 0.58 C ATOM 837 C ASN A 60 -23.072 4.243 2.381 1.00 0.55 C ATOM 838 O ASN A 60 -23.865 4.030 1.458 1.00 0.60 O ATOM 839 CB ASN A 60 -23.185 6.654 3.176 1.00 0.59 C ATOM 840 CG ASN A 60 -22.391 6.860 1.896 1.00 0.55 C ATOM 841 OD1 ASN A 60 -21.167 7.012 1.934 1.00 0.52 O ATOM 842 ND2 ASN A 60 -23.072 6.877 0.759 1.00 0.58 N ATOM 0 H ASN A 60 -21.702 4.757 4.619 1.00 0.57 H new ATOM 0 HA ASN A 60 -24.514 5.061 3.716 1.00 0.58 H new ATOM 0 HB2 ASN A 60 -24.142 7.167 3.082 1.00 0.59 H new ATOM 0 HB3 ASN A 60 -22.650 7.125 4.001 1.00 0.59 H new ATOM 0 HD21 ASN A 60 -22.584 7.019 -0.125 1.00 0.58 H new ATOM 0 HD22 ASN A 60 -24.084 6.748 0.769 1.00 0.58 H new ATOM 849 N GLY A 61 -21.871 3.679 2.446 1.00 0.51 N ATOM 850 CA GLY A 61 -21.416 2.765 1.411 1.00 0.51 C ATOM 851 C GLY A 61 -20.794 3.495 0.242 1.00 0.49 C ATOM 852 O GLY A 61 -21.008 3.138 -0.918 1.00 0.52 O ATOM 0 H GLY A 61 -21.201 3.838 3.199 1.00 0.51 H new ATOM 0 HA2 GLY A 61 -20.689 2.072 1.834 1.00 0.51 H new ATOM 0 HA3 GLY A 61 -22.258 2.168 1.059 1.00 0.51 H new ATOM 856 N THR A 62 -20.013 4.518 0.547 1.00 0.46 N ATOM 857 CA THR A 62 -19.357 5.317 -0.482 1.00 0.45 C ATOM 858 C THR A 62 -18.103 5.988 0.067 1.00 0.42 C ATOM 859 O THR A 62 -18.143 6.616 1.127 1.00 0.45 O ATOM 860 CB THR A 62 -20.304 6.418 -1.013 1.00 0.50 C ATOM 861 OG1 THR A 62 -21.531 5.838 -1.476 1.00 0.57 O ATOM 862 CG2 THR A 62 -19.656 7.212 -2.140 1.00 0.57 C ATOM 0 H THR A 62 -19.816 4.818 1.502 1.00 0.46 H new ATOM 0 HA THR A 62 -19.088 4.639 -1.292 1.00 0.45 H new ATOM 0 HB THR A 62 -20.513 7.100 -0.189 1.00 0.50 H new ATOM 0 HG1 THR A 62 -22.055 6.516 -1.951 1.00 0.57 H new ATOM 0 HG21 THR A 62 -20.348 7.978 -2.490 1.00 0.57 H new ATOM 0 HG22 THR A 62 -18.745 7.686 -1.774 1.00 0.57 H new ATOM 0 HG23 THR A 62 -19.410 6.541 -2.963 1.00 0.57 H new ATOM 870 N ILE A 63 -16.998 5.845 -0.657 1.00 0.40 N ATOM 871 CA ILE A 63 -15.727 6.453 -0.271 1.00 0.37 C ATOM 872 C ILE A 63 -15.779 7.945 -0.620 1.00 0.40 C ATOM 873 O ILE A 63 -15.539 8.335 -1.763 1.00 0.44 O ATOM 874 CB ILE A 63 -14.537 5.759 -1.003 1.00 0.36 C ATOM 875 CG1 ILE A 63 -14.434 4.287 -0.594 1.00 0.39 C ATOM 876 CG2 ILE A 63 -13.205 6.456 -0.770 1.00 0.43 C ATOM 877 CD1 ILE A 63 -13.161 3.619 -1.061 1.00 0.46 C ATOM 0 H ILE A 63 -16.956 5.308 -1.523 1.00 0.40 H new ATOM 0 HA ILE A 63 -15.570 6.328 0.800 1.00 0.37 H new ATOM 0 HB ILE A 63 -14.753 5.829 -2.069 1.00 0.36 H new ATOM 0 HG12 ILE A 63 -14.496 4.215 0.492 1.00 0.39 H new ATOM 0 HG13 ILE A 63 -15.289 3.745 -0.999 1.00 0.39 H new ATOM 0 HG21 ILE A 63 -12.418 5.925 -1.305 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -13.263 7.482 -1.134 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -12.979 6.461 0.296 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -13.156 2.579 -0.736 1.00 0.46 H new ATOM 0 HD12 ILE A 63 -13.107 3.660 -2.149 1.00 0.46 H new ATOM 0 HD13 ILE A 63 -12.301 4.136 -0.635 1.00 0.46 H new ATOM 889 N ASP A 64 -16.139 8.768 0.361 1.00 0.41 N ATOM 890 CA ASP A 64 -16.255 10.207 0.143 1.00 0.45 C ATOM 891 C ASP A 64 -15.005 10.936 0.610 1.00 0.45 C ATOM 892 O ASP A 64 -14.091 10.315 1.147 1.00 0.42 O ATOM 893 CB ASP A 64 -17.497 10.770 0.850 1.00 0.49 C ATOM 894 CG ASP A 64 -17.686 10.241 2.261 1.00 0.49 C ATOM 895 OD1 ASP A 64 -16.901 10.603 3.158 1.00 0.49 O ATOM 896 OD2 ASP A 64 -18.650 9.467 2.473 1.00 0.52 O ATOM 0 H ASP A 64 -16.355 8.465 1.311 1.00 0.41 H new ATOM 0 HA ASP A 64 -16.364 10.370 -0.929 1.00 0.45 H new ATOM 0 HB2 ASP A 64 -17.423 11.857 0.885 1.00 0.49 H new ATOM 0 HB3 ASP A 64 -18.381 10.530 0.259 1.00 0.49 H new ATOM 901 N PHE A 65 -14.981 12.255 0.413 1.00 0.51 N ATOM 902 CA PHE A 65 -13.834 13.075 0.783 1.00 0.54 C ATOM 903 C PHE A 65 -13.547 13.056 2.287 1.00 0.54 C ATOM 904 O PHE A 65 -12.402 12.832 2.677 1.00 0.54 O ATOM 905 CB PHE A 65 -14.032 14.507 0.307 1.00 0.61 C ATOM 906 CG PHE A 65 -12.801 15.086 -0.314 1.00 0.74 C ATOM 907 CD1 PHE A 65 -12.508 14.846 -1.650 1.00 0.83 C ATOM 908 CD2 PHE A 65 -11.926 15.858 0.437 1.00 0.97 C ATOM 909 CE1 PHE A 65 -11.360 15.373 -2.226 1.00 1.04 C ATOM 910 CE2 PHE A 65 -10.783 16.380 -0.134 1.00 1.15 C ATOM 911 CZ PHE A 65 -10.500 16.138 -1.468 1.00 1.15 C ATOM 0 H PHE A 65 -15.751 12.778 -0.004 1.00 0.51 H new ATOM 0 HA PHE A 65 -12.966 12.639 0.288 1.00 0.54 H new ATOM 0 HB2 PHE A 65 -14.846 14.535 -0.417 1.00 0.61 H new ATOM 0 HB3 PHE A 65 -14.334 15.127 1.151 1.00 0.61 H new ATOM 0 HD1 PHE A 65 -13.179 14.245 -2.246 1.00 0.83 H new ATOM 0 HD2 PHE A 65 -12.141 16.052 1.477 1.00 0.97 H new ATOM 0 HE1 PHE A 65 -11.141 15.184 -3.267 1.00 1.04 H new ATOM 0 HE2 PHE A 65 -10.108 16.978 0.460 1.00 1.15 H new ATOM 0 HZ PHE A 65 -9.606 16.548 -1.914 1.00 1.15 H new ATOM 921 N PRO A 66 -14.557 13.306 3.161 1.00 0.55 N ATOM 922 CA PRO A 66 -14.350 13.297 4.614 1.00 0.56 C ATOM 923 C PRO A 66 -13.675 12.015 5.091 1.00 0.50 C ATOM 924 O PRO A 66 -12.636 12.066 5.753 1.00 0.52 O ATOM 925 CB PRO A 66 -15.755 13.393 5.186 1.00 0.59 C ATOM 926 CG PRO A 66 -16.557 14.052 4.131 1.00 0.63 C ATOM 927 CD PRO A 66 -15.962 13.608 2.818 1.00 0.58 C ATOM 0 HA PRO A 66 -13.695 14.108 4.931 1.00 0.56 H new ATOM 0 HB2 PRO A 66 -16.152 12.406 5.424 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -15.766 13.972 6.109 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -17.606 13.764 4.201 1.00 0.63 H new ATOM 0 HG3 PRO A 66 -16.517 15.137 4.231 1.00 0.63 H new ATOM 0 HD2 PRO A 66 -16.475 12.732 2.420 1.00 0.58 H new ATOM 0 HD3 PRO A 66 -16.031 14.389 2.061 1.00 0.58 H new ATOM 935 N GLU A 67 -14.234 10.866 4.711 1.00 0.46 N ATOM 936 CA GLU A 67 -13.678 9.576 5.118 1.00 0.43 C ATOM 937 C GLU A 67 -12.324 9.363 4.469 1.00 0.43 C ATOM 938 O GLU A 67 -11.463 8.699 5.013 1.00 0.44 O ATOM 939 CB GLU A 67 -14.611 8.419 4.743 1.00 0.41 C ATOM 940 CG GLU A 67 -15.955 8.463 5.439 1.00 0.43 C ATOM 941 CD GLU A 67 -16.969 7.576 4.760 1.00 0.43 C ATOM 942 OE1 GLU A 67 -16.887 7.388 3.532 1.00 0.39 O ATOM 943 OE2 GLU A 67 -17.882 7.070 5.439 1.00 0.51 O ATOM 0 H GLU A 67 -15.067 10.802 4.125 1.00 0.46 H new ATOM 0 HA GLU A 67 -13.569 9.591 6.202 1.00 0.43 H new ATOM 0 HB2 GLU A 67 -14.771 8.429 3.665 1.00 0.41 H new ATOM 0 HB3 GLU A 67 -14.119 7.476 4.983 1.00 0.41 H new ATOM 0 HG2 GLU A 67 -15.837 8.151 6.477 1.00 0.43 H new ATOM 0 HG3 GLU A 67 -16.323 9.489 5.454 1.00 0.43 H new ATOM 950 N PHE A 68 -12.141 9.967 3.300 1.00 0.44 N ATOM 951 CA PHE A 68 -10.894 9.848 2.551 1.00 0.46 C ATOM 952 C PHE A 68 -9.747 10.468 3.337 1.00 0.48 C ATOM 953 O PHE A 68 -8.621 9.973 3.320 1.00 0.48 O ATOM 954 CB PHE A 68 -11.017 10.498 1.164 1.00 0.50 C ATOM 955 CG PHE A 68 -9.936 10.089 0.216 1.00 0.73 C ATOM 956 CD1 PHE A 68 -9.948 8.828 -0.367 1.00 0.94 C ATOM 957 CD2 PHE A 68 -8.901 10.952 -0.081 1.00 1.02 C ATOM 958 CE1 PHE A 68 -8.938 8.442 -1.234 1.00 1.29 C ATOM 959 CE2 PHE A 68 -7.895 10.574 -0.943 1.00 1.34 C ATOM 960 CZ PHE A 68 -7.910 9.314 -1.522 1.00 1.44 C ATOM 0 H PHE A 68 -12.846 10.549 2.847 1.00 0.44 H new ATOM 0 HA PHE A 68 -10.684 8.789 2.404 1.00 0.46 H new ATOM 0 HB2 PHE A 68 -11.984 10.238 0.734 1.00 0.50 H new ATOM 0 HB3 PHE A 68 -11.000 11.582 1.277 1.00 0.50 H new ATOM 0 HD1 PHE A 68 -10.752 8.142 -0.143 1.00 0.94 H new ATOM 0 HD2 PHE A 68 -8.879 11.934 0.367 1.00 1.02 H new ATOM 0 HE1 PHE A 68 -8.956 7.460 -1.683 1.00 1.29 H new ATOM 0 HE2 PHE A 68 -7.093 11.261 -1.168 1.00 1.34 H new ATOM 0 HZ PHE A 68 -7.120 9.017 -2.196 1.00 1.44 H new ATOM 970 N LEU A 69 -10.047 11.546 4.033 1.00 0.52 N ATOM 971 CA LEU A 69 -9.061 12.225 4.847 1.00 0.56 C ATOM 972 C LEU A 69 -8.724 11.364 6.059 1.00 0.51 C ATOM 973 O LEU A 69 -7.558 11.055 6.315 1.00 0.50 O ATOM 974 CB LEU A 69 -9.607 13.589 5.300 1.00 0.66 C ATOM 975 CG LEU A 69 -10.033 14.530 4.165 1.00 0.75 C ATOM 976 CD1 LEU A 69 -10.861 15.690 4.700 1.00 0.89 C ATOM 977 CD2 LEU A 69 -8.820 15.045 3.402 1.00 0.82 C ATOM 0 H LEU A 69 -10.973 11.973 4.050 1.00 0.52 H new ATOM 0 HA LEU A 69 -8.156 12.388 4.262 1.00 0.56 H new ATOM 0 HB2 LEU A 69 -10.464 13.421 5.953 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -8.844 14.088 5.897 1.00 0.66 H new ATOM 0 HG LEU A 69 -10.654 13.960 3.474 1.00 0.75 H new ATOM 0 HD11 LEU A 69 -11.150 16.342 3.875 1.00 0.89 H new ATOM 0 HD12 LEU A 69 -11.756 15.304 5.188 1.00 0.89 H new ATOM 0 HD13 LEU A 69 -10.271 16.256 5.420 1.00 0.89 H new ATOM 0 HD21 LEU A 69 -9.148 15.710 2.603 1.00 0.82 H new ATOM 0 HD22 LEU A 69 -8.167 15.591 4.083 1.00 0.82 H new ATOM 0 HD23 LEU A 69 -8.276 14.204 2.973 1.00 0.82 H new ATOM 989 N THR A 70 -9.772 10.976 6.781 1.00 0.52 N ATOM 990 CA THR A 70 -9.647 10.130 7.957 1.00 0.54 C ATOM 991 C THR A 70 -8.923 8.826 7.617 1.00 0.47 C ATOM 992 O THR A 70 -7.972 8.421 8.288 1.00 0.53 O ATOM 993 CB THR A 70 -11.034 9.793 8.520 1.00 0.62 C ATOM 994 OG1 THR A 70 -11.889 10.944 8.463 1.00 0.63 O ATOM 995 CG2 THR A 70 -10.916 9.316 9.955 1.00 0.74 C ATOM 0 H THR A 70 -10.732 11.242 6.564 1.00 0.52 H new ATOM 0 HA THR A 70 -9.069 10.679 8.700 1.00 0.54 H new ATOM 0 HB THR A 70 -11.468 8.998 7.914 1.00 0.62 H new ATOM 0 HG1 THR A 70 -12.771 10.715 8.824 1.00 0.63 H new ATOM 0 HG21 THR A 70 -11.907 9.080 10.343 1.00 0.74 H new ATOM 0 HG22 THR A 70 -10.290 8.424 9.992 1.00 0.74 H new ATOM 0 HG23 THR A 70 -10.466 10.100 10.563 1.00 0.74 H new ATOM 1003 N MET A 71 -9.382 8.187 6.554 1.00 0.42 N ATOM 1004 CA MET A 71 -8.814 6.943 6.095 1.00 0.43 C ATOM 1005 C MET A 71 -7.352 7.115 5.667 1.00 0.39 C ATOM 1006 O MET A 71 -6.522 6.253 5.931 1.00 0.41 O ATOM 1007 CB MET A 71 -9.644 6.435 4.927 1.00 0.51 C ATOM 1008 CG MET A 71 -9.130 5.158 4.307 1.00 0.71 C ATOM 1009 SD MET A 71 -9.129 5.214 2.511 1.00 0.69 S ATOM 1010 CE MET A 71 -8.178 6.700 2.191 1.00 0.68 C ATOM 0 H MET A 71 -10.161 8.522 5.988 1.00 0.42 H new ATOM 0 HA MET A 71 -8.830 6.224 6.914 1.00 0.43 H new ATOM 0 HB2 MET A 71 -10.667 6.274 5.267 1.00 0.51 H new ATOM 0 HB3 MET A 71 -9.681 7.208 4.160 1.00 0.51 H new ATOM 0 HG2 MET A 71 -8.117 4.968 4.662 1.00 0.71 H new ATOM 0 HG3 MET A 71 -9.746 4.323 4.641 1.00 0.71 H new ATOM 0 HE1 MET A 71 -7.841 6.700 1.154 1.00 0.68 H new ATOM 0 HE2 MET A 71 -8.801 7.576 2.370 1.00 0.68 H new ATOM 0 HE3 MET A 71 -7.313 6.728 2.854 1.00 0.68 H new ATOM 1020 N MET A 72 -7.060 8.231 5.012 1.00 0.38 N ATOM 1021 CA MET A 72 -5.702 8.513 4.544 1.00 0.40 C ATOM 1022 C MET A 72 -4.768 8.743 5.728 1.00 0.42 C ATOM 1023 O MET A 72 -3.644 8.252 5.742 1.00 0.45 O ATOM 1024 CB MET A 72 -5.665 9.731 3.617 1.00 0.43 C ATOM 1025 CG MET A 72 -4.287 10.013 3.047 1.00 0.58 C ATOM 1026 SD MET A 72 -4.058 11.744 2.610 1.00 1.18 S ATOM 1027 CE MET A 72 -5.455 11.986 1.519 1.00 1.69 C ATOM 0 H MET A 72 -7.742 8.957 4.791 1.00 0.38 H new ATOM 0 HA MET A 72 -5.366 7.644 3.978 1.00 0.40 H new ATOM 0 HB2 MET A 72 -6.365 9.575 2.796 1.00 0.43 H new ATOM 0 HB3 MET A 72 -6.009 10.607 4.167 1.00 0.43 H new ATOM 0 HG2 MET A 72 -3.530 9.723 3.776 1.00 0.58 H new ATOM 0 HG3 MET A 72 -4.131 9.395 2.163 1.00 0.58 H new ATOM 0 HE1 MET A 72 -5.312 12.899 0.942 1.00 1.69 H new ATOM 0 HE2 MET A 72 -5.538 11.137 0.840 1.00 1.69 H new ATOM 0 HE3 MET A 72 -6.368 12.069 2.109 1.00 1.69 H new ATOM 1037 N ALA A 73 -5.231 9.503 6.711 1.00 0.45 N ATOM 1038 CA ALA A 73 -4.432 9.778 7.913 1.00 0.53 C ATOM 1039 C ALA A 73 -4.017 8.459 8.578 1.00 0.51 C ATOM 1040 O ALA A 73 -2.939 8.341 9.162 1.00 0.55 O ATOM 1041 CB ALA A 73 -5.216 10.645 8.890 1.00 0.63 C ATOM 0 H ALA A 73 -6.152 9.942 6.707 1.00 0.45 H new ATOM 0 HA ALA A 73 -3.534 10.322 7.621 1.00 0.53 H new ATOM 0 HB1 ALA A 73 -4.608 10.838 9.774 1.00 0.63 H new ATOM 0 HB2 ALA A 73 -5.472 11.591 8.412 1.00 0.63 H new ATOM 0 HB3 ALA A 73 -6.129 10.127 9.184 1.00 0.63 H new ATOM 1047 N ARG A 74 -4.870 7.459 8.430 1.00 0.49 N ATOM 1048 CA ARG A 74 -4.628 6.143 8.994 1.00 0.53 C ATOM 1049 C ARG A 74 -3.648 5.340 8.133 1.00 0.53 C ATOM 1050 O ARG A 74 -3.303 4.209 8.474 1.00 0.81 O ATOM 1051 CB ARG A 74 -5.948 5.370 9.115 1.00 0.59 C ATOM 1052 CG ARG A 74 -5.939 4.331 10.222 1.00 0.77 C ATOM 1053 CD ARG A 74 -6.677 3.062 9.806 1.00 1.02 C ATOM 1054 NE ARG A 74 -8.047 3.331 9.354 1.00 0.96 N ATOM 1055 CZ ARG A 74 -8.734 2.556 8.491 1.00 1.22 C ATOM 1056 NH1 ARG A 74 -8.180 1.490 7.946 1.00 1.45 N ATOM 1057 NH2 ARG A 74 -9.979 2.870 8.172 1.00 1.44 N ATOM 0 H ARG A 74 -5.748 7.537 7.916 1.00 0.49 H new ATOM 0 HA ARG A 74 -4.189 6.281 9.982 1.00 0.53 H new ATOM 0 HB2 ARG A 74 -6.759 6.076 9.296 1.00 0.59 H new ATOM 0 HB3 ARG A 74 -6.160 4.877 8.166 1.00 0.59 H new ATOM 0 HG2 ARG A 74 -4.910 4.085 10.483 1.00 0.77 H new ATOM 0 HG3 ARG A 74 -6.404 4.747 11.116 1.00 0.77 H new ATOM 0 HD2 ARG A 74 -6.124 2.570 9.006 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -6.705 2.369 10.647 1.00 1.02 H new ATOM 0 HE ARG A 74 -8.512 4.163 9.718 1.00 0.96 H new ATOM 0 HH11 ARG A 74 -7.218 1.241 8.176 1.00 1.45 H new ATOM 0 HH12 ARG A 74 -8.714 0.914 7.295 1.00 1.45 H new ATOM 0 HH21 ARG A 74 -10.417 3.697 8.579 1.00 1.44 H new ATOM 0 HH22 ARG A 74 -10.501 2.285 7.519 1.00 1.44 H new ATOM 1071 N LYS A 75 -3.212 5.916 7.018 1.00 0.42 N ATOM 1072 CA LYS A 75 -2.287 5.236 6.121 1.00 0.47 C ATOM 1073 C LYS A 75 -1.077 6.114 5.781 1.00 0.56 C ATOM 1074 O LYS A 75 -0.112 5.659 5.172 1.00 0.78 O ATOM 1075 CB LYS A 75 -3.016 4.793 4.842 1.00 0.52 C ATOM 1076 CG LYS A 75 -2.506 3.468 4.317 1.00 0.72 C ATOM 1077 CD LYS A 75 -2.682 2.340 5.325 1.00 0.79 C ATOM 1078 CE LYS A 75 -4.136 2.162 5.695 1.00 0.86 C ATOM 1079 NZ LYS A 75 -4.574 0.748 5.567 1.00 0.83 N ATOM 0 H LYS A 75 -3.484 6.851 6.715 1.00 0.42 H new ATOM 0 HA LYS A 75 -1.911 4.352 6.636 1.00 0.47 H new ATOM 0 HB2 LYS A 75 -4.084 4.714 5.045 1.00 0.52 H new ATOM 0 HB3 LYS A 75 -2.893 5.557 4.074 1.00 0.52 H new ATOM 0 HG2 LYS A 75 -3.035 3.216 3.398 1.00 0.72 H new ATOM 0 HG3 LYS A 75 -1.451 3.563 4.062 1.00 0.72 H new ATOM 0 HD2 LYS A 75 -2.294 1.411 4.907 1.00 0.79 H new ATOM 0 HD3 LYS A 75 -2.099 2.555 6.221 1.00 0.79 H new ATOM 0 HE2 LYS A 75 -4.293 2.499 6.720 1.00 0.86 H new ATOM 0 HE3 LYS A 75 -4.753 2.792 5.054 1.00 0.86 H new ATOM 0 HZ1 LYS A 75 -5.073 0.460 6.433 1.00 0.83 H new ATOM 0 HZ2 LYS A 75 -5.213 0.655 4.752 1.00 0.83 H new ATOM 0 HZ3 LYS A 75 -3.743 0.138 5.427 1.00 0.83 H new ATOM 1093 N MET A 76 -1.135 7.371 6.170 1.00 0.58 N ATOM 1094 CA MET A 76 -0.038 8.292 5.916 1.00 0.72 C ATOM 1095 C MET A 76 1.146 7.952 6.822 1.00 0.71 C ATOM 1096 O MET A 76 2.307 8.004 6.403 1.00 0.80 O ATOM 1097 CB MET A 76 -0.495 9.739 6.140 1.00 0.92 C ATOM 1098 CG MET A 76 0.477 10.780 5.614 1.00 1.20 C ATOM 1099 SD MET A 76 0.198 12.413 6.328 1.00 1.55 S ATOM 1100 CE MET A 76 -1.512 12.703 5.865 1.00 1.68 C ATOM 0 H MET A 76 -1.928 7.781 6.663 1.00 0.58 H new ATOM 0 HA MET A 76 0.278 8.192 4.878 1.00 0.72 H new ATOM 0 HB2 MET A 76 -1.462 9.883 5.658 1.00 0.92 H new ATOM 0 HB3 MET A 76 -0.644 9.902 7.208 1.00 0.92 H new ATOM 0 HG2 MET A 76 1.497 10.462 5.831 1.00 1.20 H new ATOM 0 HG3 MET A 76 0.386 10.841 4.530 1.00 1.20 H new ATOM 0 HE1 MET A 76 -1.776 13.739 6.078 1.00 1.68 H new ATOM 0 HE2 MET A 76 -1.639 12.508 4.800 1.00 1.68 H new ATOM 0 HE3 MET A 76 -2.161 12.039 6.436 1.00 1.68 H new ATOM 1110 N LYS A 77 0.845 7.612 8.070 1.00 0.72 N ATOM 1111 CA LYS A 77 1.872 7.242 9.034 1.00 0.86 C ATOM 1112 C LYS A 77 1.376 6.113 9.927 1.00 0.77 C ATOM 1113 O LYS A 77 1.385 6.228 11.153 1.00 0.85 O ATOM 1114 CB LYS A 77 2.258 8.455 9.885 1.00 1.11 C ATOM 1115 CG LYS A 77 3.136 9.452 9.158 1.00 1.32 C ATOM 1116 CD LYS A 77 3.556 10.612 10.046 1.00 1.47 C ATOM 1117 CE LYS A 77 2.376 11.458 10.488 1.00 1.65 C ATOM 1118 NZ LYS A 77 2.811 12.684 11.207 1.00 1.95 N ATOM 0 H LYS A 77 -0.106 7.585 8.438 1.00 0.72 H new ATOM 0 HA LYS A 77 2.752 6.898 8.491 1.00 0.86 H new ATOM 0 HB2 LYS A 77 1.350 8.958 10.218 1.00 1.11 H new ATOM 0 HB3 LYS A 77 2.778 8.110 10.779 1.00 1.11 H new ATOM 0 HG2 LYS A 77 4.025 8.944 8.784 1.00 1.32 H new ATOM 0 HG3 LYS A 77 2.601 9.838 8.290 1.00 1.32 H new ATOM 0 HD2 LYS A 77 4.072 10.225 10.925 1.00 1.47 H new ATOM 0 HD3 LYS A 77 4.268 11.238 9.509 1.00 1.47 H new ATOM 0 HE2 LYS A 77 1.784 11.739 9.617 1.00 1.65 H new ATOM 0 HE3 LYS A 77 1.729 10.867 11.136 1.00 1.65 H new ATOM 0 HZ1 LYS A 77 1.976 13.234 11.492 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 3.354 12.416 12.053 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 3.408 13.261 10.580 1.00 1.95 H new ATOM 1132 N ASP A 78 0.936 5.028 9.308 1.00 0.83 N ATOM 1133 CA ASP A 78 0.429 3.883 10.055 1.00 0.83 C ATOM 1134 C ASP A 78 1.547 3.186 10.812 1.00 0.81 C ATOM 1135 O ASP A 78 2.497 2.680 10.218 1.00 1.06 O ATOM 1136 CB ASP A 78 -0.254 2.876 9.145 1.00 1.15 C ATOM 1137 CG ASP A 78 -0.692 1.639 9.903 1.00 1.18 C ATOM 1138 OD1 ASP A 78 -1.161 1.774 11.055 1.00 1.18 O ATOM 1139 OD2 ASP A 78 -0.545 0.525 9.357 1.00 1.41 O ATOM 0 H ASP A 78 0.919 4.915 8.294 1.00 0.83 H new ATOM 0 HA ASP A 78 -0.303 4.271 10.763 1.00 0.83 H new ATOM 0 HB2 ASP A 78 -1.121 3.340 8.675 1.00 1.15 H new ATOM 0 HB3 ASP A 78 0.427 2.589 8.344 1.00 1.15 H new ATOM 1144 N THR A 79 1.426 3.179 12.120 1.00 0.72 N ATOM 1145 CA THR A 79 2.403 2.548 12.983 1.00 0.95 C ATOM 1146 C THR A 79 1.675 1.637 13.979 1.00 0.92 C ATOM 1147 O THR A 79 2.261 1.121 14.934 1.00 1.10 O ATOM 1148 CB THR A 79 3.235 3.617 13.730 1.00 1.28 C ATOM 1149 OG1 THR A 79 2.369 4.580 14.365 1.00 1.45 O ATOM 1150 CG2 THR A 79 4.183 4.328 12.766 1.00 1.43 C ATOM 0 H THR A 79 0.647 3.611 12.618 1.00 0.72 H new ATOM 0 HA THR A 79 3.088 1.951 12.382 1.00 0.95 H new ATOM 0 HB THR A 79 3.824 3.114 14.497 1.00 1.28 H new ATOM 0 HG1 THR A 79 2.911 5.248 14.834 1.00 1.45 H new ATOM 0 HG21 THR A 79 4.760 5.076 13.309 1.00 1.43 H new ATOM 0 HG22 THR A 79 4.861 3.601 12.320 1.00 1.43 H new ATOM 0 HG23 THR A 79 3.605 4.815 11.980 1.00 1.43 H new ATOM 1158 N ASP A 80 0.385 1.419 13.707 1.00 0.79 N ATOM 1159 CA ASP A 80 -0.489 0.605 14.558 1.00 0.83 C ATOM 1160 C ASP A 80 -1.132 -0.498 13.723 1.00 0.80 C ATOM 1161 O ASP A 80 -2.160 -1.072 14.093 1.00 1.18 O ATOM 1162 CB ASP A 80 -1.576 1.497 15.155 1.00 1.03 C ATOM 1163 CG ASP A 80 -1.725 1.335 16.654 1.00 1.39 C ATOM 1164 OD1 ASP A 80 -2.414 0.394 17.100 1.00 1.78 O ATOM 1165 OD2 ASP A 80 -1.167 2.170 17.400 1.00 1.69 O ATOM 0 H ASP A 80 -0.085 1.804 12.887 1.00 0.79 H new ATOM 0 HA ASP A 80 0.095 0.153 15.359 1.00 0.83 H new ATOM 0 HB2 ASP A 80 -1.347 2.538 14.930 1.00 1.03 H new ATOM 0 HB3 ASP A 80 -2.528 1.269 14.675 1.00 1.03 H new ATOM 1170 N SER A 81 -0.481 -0.767 12.604 1.00 0.74 N ATOM 1171 CA SER A 81 -0.892 -1.741 11.603 1.00 0.82 C ATOM 1172 C SER A 81 -1.492 -3.032 12.138 1.00 0.75 C ATOM 1173 O SER A 81 -0.778 -3.903 12.639 1.00 0.89 O ATOM 1174 CB SER A 81 0.321 -2.078 10.748 1.00 1.10 C ATOM 1175 OG SER A 81 1.222 -0.987 10.714 1.00 1.10 O ATOM 0 H SER A 81 0.387 -0.292 12.356 1.00 0.74 H new ATOM 0 HA SER A 81 -1.698 -1.269 11.041 1.00 0.82 H new ATOM 0 HB2 SER A 81 0.822 -2.959 11.149 1.00 1.10 H new ATOM 0 HB3 SER A 81 0.002 -2.326 9.736 1.00 1.10 H new ATOM 0 HG SER A 81 0.894 -0.311 10.084 1.00 1.10 H new ATOM 1181 N GLU A 82 -2.814 -3.134 12.037 1.00 0.69 N ATOM 1182 CA GLU A 82 -3.514 -4.343 12.408 1.00 0.76 C ATOM 1183 C GLU A 82 -3.935 -5.051 11.119 1.00 0.64 C ATOM 1184 O GLU A 82 -3.369 -6.080 10.754 1.00 0.78 O ATOM 1185 CB GLU A 82 -4.716 -4.039 13.297 1.00 0.90 C ATOM 1186 CG GLU A 82 -5.141 -5.215 14.152 1.00 1.13 C ATOM 1187 CD GLU A 82 -4.000 -5.750 15.001 1.00 1.39 C ATOM 1188 OE1 GLU A 82 -3.718 -5.161 16.063 1.00 1.86 O ATOM 1189 OE2 GLU A 82 -3.365 -6.754 14.605 1.00 1.72 O ATOM 0 H GLU A 82 -3.418 -2.385 11.698 1.00 0.69 H new ATOM 0 HA GLU A 82 -2.860 -4.990 12.992 1.00 0.76 H new ATOM 0 HB2 GLU A 82 -4.476 -3.196 13.945 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -5.554 -3.732 12.671 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -5.963 -4.912 14.801 1.00 1.13 H new ATOM 0 HG3 GLU A 82 -5.518 -6.011 13.510 1.00 1.13 H new ATOM 1196 N GLU A 83 -4.890 -4.454 10.403 1.00 0.53 N ATOM 1197 CA GLU A 83 -5.373 -4.990 9.133 1.00 0.52 C ATOM 1198 C GLU A 83 -4.934 -4.071 8.000 1.00 0.45 C ATOM 1199 O GLU A 83 -5.120 -4.378 6.829 1.00 0.48 O ATOM 1200 CB GLU A 83 -6.898 -5.145 9.170 1.00 0.68 C ATOM 1201 CG GLU A 83 -7.339 -6.444 9.808 1.00 1.37 C ATOM 1202 CD GLU A 83 -8.844 -6.629 9.775 1.00 1.96 C ATOM 1203 OE1 GLU A 83 -9.376 -7.115 8.753 1.00 2.70 O ATOM 1204 OE2 GLU A 83 -9.513 -6.281 10.771 1.00 2.40 O ATOM 0 H GLU A 83 -5.348 -3.588 10.688 1.00 0.53 H new ATOM 0 HA GLU A 83 -4.946 -5.978 8.963 1.00 0.52 H new ATOM 0 HB2 GLU A 83 -7.330 -4.310 9.721 1.00 0.68 H new ATOM 0 HB3 GLU A 83 -7.289 -5.093 8.154 1.00 0.68 H new ATOM 0 HG2 GLU A 83 -6.863 -7.278 9.292 1.00 1.37 H new ATOM 0 HG3 GLU A 83 -6.996 -6.471 10.842 1.00 1.37 H new ATOM 1211 N GLU A 84 -4.357 -2.936 8.374 1.00 0.44 N ATOM 1212 CA GLU A 84 -3.874 -1.941 7.412 1.00 0.46 C ATOM 1213 C GLU A 84 -2.825 -2.530 6.460 1.00 0.41 C ATOM 1214 O GLU A 84 -2.998 -2.526 5.240 1.00 0.46 O ATOM 1215 CB GLU A 84 -3.259 -0.751 8.157 1.00 0.56 C ATOM 1216 CG GLU A 84 -4.045 -0.313 9.371 1.00 0.70 C ATOM 1217 CD GLU A 84 -5.459 0.097 9.037 1.00 0.73 C ATOM 1218 OE1 GLU A 84 -5.676 0.671 7.953 1.00 1.27 O ATOM 1219 OE2 GLU A 84 -6.359 -0.168 9.850 1.00 1.26 O ATOM 0 H GLU A 84 -4.209 -2.675 9.349 1.00 0.44 H new ATOM 0 HA GLU A 84 -4.730 -1.617 6.821 1.00 0.46 H new ATOM 0 HB2 GLU A 84 -2.247 -1.013 8.467 1.00 0.56 H new ATOM 0 HB3 GLU A 84 -3.174 0.090 7.469 1.00 0.56 H new ATOM 0 HG2 GLU A 84 -4.069 -1.127 10.095 1.00 0.70 H new ATOM 0 HG3 GLU A 84 -3.532 0.523 9.848 1.00 0.70 H new ATOM 1226 N ILE A 85 -1.739 -3.046 7.039 1.00 0.38 N ATOM 1227 CA ILE A 85 -0.674 -3.644 6.261 1.00 0.42 C ATOM 1228 C ILE A 85 -1.193 -4.857 5.518 1.00 0.40 C ATOM 1229 O ILE A 85 -0.739 -5.166 4.419 1.00 0.41 O ATOM 1230 CB ILE A 85 0.523 -4.049 7.147 1.00 0.53 C ATOM 1231 CG1 ILE A 85 1.360 -2.806 7.429 1.00 1.17 C ATOM 1232 CG2 ILE A 85 1.357 -5.152 6.491 1.00 1.38 C ATOM 1233 CD1 ILE A 85 2.667 -3.102 8.111 1.00 1.50 C ATOM 0 H ILE A 85 -1.582 -3.057 8.047 1.00 0.38 H new ATOM 0 HA ILE A 85 -0.326 -2.897 5.548 1.00 0.42 H new ATOM 0 HB ILE A 85 0.157 -4.460 8.088 1.00 0.53 H new ATOM 0 HG12 ILE A 85 1.559 -2.291 6.489 1.00 1.17 H new ATOM 0 HG13 ILE A 85 0.782 -2.122 8.051 1.00 1.17 H new ATOM 0 HG21 ILE A 85 2.192 -5.413 7.142 1.00 1.38 H new ATOM 0 HG22 ILE A 85 0.734 -6.032 6.329 1.00 1.38 H new ATOM 0 HG23 ILE A 85 1.740 -4.798 5.534 1.00 1.38 H new ATOM 0 HD11 ILE A 85 3.208 -2.171 8.280 1.00 1.50 H new ATOM 0 HD12 ILE A 85 2.476 -3.589 9.067 1.00 1.50 H new ATOM 0 HD13 ILE A 85 3.265 -3.761 7.481 1.00 1.50 H new ATOM 1245 N ARG A 86 -2.164 -5.531 6.106 1.00 0.41 N ATOM 1246 CA ARG A 86 -2.724 -6.708 5.477 1.00 0.44 C ATOM 1247 C ARG A 86 -3.429 -6.304 4.200 1.00 0.42 C ATOM 1248 O ARG A 86 -3.274 -6.952 3.161 1.00 0.44 O ATOM 1249 CB ARG A 86 -3.688 -7.420 6.430 1.00 0.50 C ATOM 1250 CG ARG A 86 -3.943 -8.877 6.093 1.00 0.89 C ATOM 1251 CD ARG A 86 -2.683 -9.702 6.283 1.00 1.26 C ATOM 1252 NE ARG A 86 -2.987 -11.112 6.495 1.00 1.63 N ATOM 1253 CZ ARG A 86 -2.779 -11.754 7.642 1.00 2.02 C ATOM 1254 NH1 ARG A 86 -2.259 -11.121 8.696 1.00 2.11 N ATOM 1255 NH2 ARG A 86 -3.107 -13.034 7.740 1.00 2.57 N ATOM 0 H ARG A 86 -2.576 -5.286 7.007 1.00 0.41 H new ATOM 0 HA ARG A 86 -1.921 -7.405 5.235 1.00 0.44 H new ATOM 0 HB2 ARG A 86 -3.289 -7.359 7.443 1.00 0.50 H new ATOM 0 HB3 ARG A 86 -4.639 -6.888 6.429 1.00 0.50 H new ATOM 0 HG2 ARG A 86 -4.738 -9.268 6.728 1.00 0.89 H new ATOM 0 HG3 ARG A 86 -4.287 -8.962 5.062 1.00 0.89 H new ATOM 0 HD2 ARG A 86 -2.043 -9.596 5.407 1.00 1.26 H new ATOM 0 HD3 ARG A 86 -2.122 -9.319 7.136 1.00 1.26 H new ATOM 0 HE ARG A 86 -3.383 -11.639 5.717 1.00 1.63 H new ATOM 0 HH11 ARG A 86 -2.016 -10.133 8.628 1.00 2.11 H new ATOM 0 HH12 ARG A 86 -2.105 -11.626 9.569 1.00 2.11 H new ATOM 0 HH21 ARG A 86 -3.515 -13.519 6.941 1.00 2.57 H new ATOM 0 HH22 ARG A 86 -2.951 -13.535 8.615 1.00 2.57 H new ATOM 1269 N GLU A 87 -4.210 -5.217 4.281 1.00 0.42 N ATOM 1270 CA GLU A 87 -4.927 -4.689 3.148 1.00 0.44 C ATOM 1271 C GLU A 87 -4.002 -4.522 1.957 1.00 0.43 C ATOM 1272 O GLU A 87 -4.257 -5.059 0.874 1.00 0.45 O ATOM 1273 CB GLU A 87 -5.561 -3.353 3.524 1.00 0.48 C ATOM 1274 CG GLU A 87 -5.581 -2.324 2.394 1.00 0.47 C ATOM 1275 CD GLU A 87 -4.926 -1.019 2.792 1.00 0.64 C ATOM 1276 OE1 GLU A 87 -5.599 -0.193 3.422 1.00 0.92 O ATOM 1277 OE2 GLU A 87 -3.735 -0.828 2.472 1.00 1.47 O ATOM 0 H GLU A 87 -4.352 -4.690 5.143 1.00 0.42 H new ATOM 0 HA GLU A 87 -5.712 -5.391 2.867 1.00 0.44 H new ATOM 0 HB2 GLU A 87 -6.584 -3.531 3.856 1.00 0.48 H new ATOM 0 HB3 GLU A 87 -5.019 -2.933 4.372 1.00 0.48 H new ATOM 0 HG2 GLU A 87 -5.069 -2.734 1.524 1.00 0.47 H new ATOM 0 HG3 GLU A 87 -6.612 -2.134 2.097 1.00 0.47 H new ATOM 1284 N ALA A 88 -2.899 -3.812 2.161 1.00 0.41 N ATOM 1285 CA ALA A 88 -1.933 -3.564 1.079 1.00 0.40 C ATOM 1286 C ALA A 88 -1.146 -4.813 0.712 1.00 0.40 C ATOM 1287 O ALA A 88 -0.678 -4.956 -0.423 1.00 0.41 O ATOM 1288 CB ALA A 88 -0.971 -2.434 1.455 1.00 0.41 C ATOM 0 H ALA A 88 -2.645 -3.397 3.057 1.00 0.41 H new ATOM 0 HA ALA A 88 -2.512 -3.267 0.204 1.00 0.40 H new ATOM 0 HB1 ALA A 88 -0.267 -2.269 0.640 1.00 0.41 H new ATOM 0 HB2 ALA A 88 -1.536 -1.520 1.636 1.00 0.41 H new ATOM 0 HB3 ALA A 88 -0.424 -2.707 2.357 1.00 0.41 H new ATOM 1294 N PHE A 89 -1.041 -5.739 1.644 1.00 0.39 N ATOM 1295 CA PHE A 89 -0.297 -6.965 1.405 1.00 0.41 C ATOM 1296 C PHE A 89 -1.098 -7.828 0.450 1.00 0.43 C ATOM 1297 O PHE A 89 -0.567 -8.445 -0.458 1.00 0.46 O ATOM 1298 CB PHE A 89 -0.050 -7.717 2.719 1.00 0.42 C ATOM 1299 CG PHE A 89 1.269 -8.425 2.765 1.00 0.40 C ATOM 1300 CD1 PHE A 89 2.398 -7.762 3.202 1.00 0.52 C ATOM 1301 CD2 PHE A 89 1.380 -9.750 2.379 1.00 0.63 C ATOM 1302 CE1 PHE A 89 3.617 -8.408 3.251 1.00 0.64 C ATOM 1303 CE2 PHE A 89 2.586 -10.399 2.430 1.00 0.75 C ATOM 1304 CZ PHE A 89 3.707 -9.734 2.865 1.00 0.68 C ATOM 0 H PHE A 89 -1.459 -5.669 2.572 1.00 0.39 H new ATOM 0 HA PHE A 89 0.675 -6.726 0.973 1.00 0.41 H new ATOM 0 HB2 PHE A 89 -0.103 -7.011 3.548 1.00 0.42 H new ATOM 0 HB3 PHE A 89 -0.849 -8.444 2.868 1.00 0.42 H new ATOM 0 HD1 PHE A 89 2.327 -6.729 3.508 1.00 0.52 H new ATOM 0 HD2 PHE A 89 0.504 -10.279 2.033 1.00 0.63 H new ATOM 0 HE1 PHE A 89 4.497 -7.881 3.589 1.00 0.64 H new ATOM 0 HE2 PHE A 89 2.655 -11.434 2.128 1.00 0.75 H new ATOM 0 HZ PHE A 89 4.657 -10.246 2.906 1.00 0.68 H new ATOM 1314 N ARG A 90 -2.402 -7.823 0.658 1.00 0.45 N ATOM 1315 CA ARG A 90 -3.322 -8.579 -0.170 1.00 0.49 C ATOM 1316 C ARG A 90 -3.461 -7.932 -1.543 1.00 0.47 C ATOM 1317 O ARG A 90 -3.732 -8.611 -2.531 1.00 0.54 O ATOM 1318 CB ARG A 90 -4.686 -8.687 0.511 1.00 0.57 C ATOM 1319 CG ARG A 90 -4.845 -9.961 1.321 1.00 1.06 C ATOM 1320 CD ARG A 90 -5.501 -11.074 0.515 1.00 1.28 C ATOM 1321 NE ARG A 90 -4.821 -11.296 -0.765 1.00 1.54 N ATOM 1322 CZ ARG A 90 -5.440 -11.660 -1.884 1.00 1.91 C ATOM 1323 NH1 ARG A 90 -6.753 -11.876 -1.886 1.00 2.17 N ATOM 1324 NH2 ARG A 90 -4.749 -11.807 -3.004 1.00 2.35 N ATOM 0 H ARG A 90 -2.852 -7.295 1.405 1.00 0.45 H new ATOM 0 HA ARG A 90 -2.921 -9.584 -0.303 1.00 0.49 H new ATOM 0 HB2 ARG A 90 -4.829 -7.827 1.165 1.00 0.57 H new ATOM 0 HB3 ARG A 90 -5.469 -8.644 -0.247 1.00 0.57 H new ATOM 0 HG2 ARG A 90 -3.867 -10.294 1.668 1.00 1.06 H new ATOM 0 HG3 ARG A 90 -5.445 -9.754 2.207 1.00 1.06 H new ATOM 0 HD2 ARG A 90 -5.492 -11.996 1.096 1.00 1.28 H new ATOM 0 HD3 ARG A 90 -6.546 -10.823 0.332 1.00 1.28 H new ATOM 0 HE ARG A 90 -3.810 -11.163 -0.799 1.00 1.54 H new ATOM 0 HH11 ARG A 90 -7.290 -11.762 -1.026 1.00 2.17 H new ATOM 0 HH12 ARG A 90 -7.223 -12.155 -2.747 1.00 2.17 H new ATOM 0 HH21 ARG A 90 -3.743 -11.641 -3.008 1.00 2.35 H new ATOM 0 HH22 ARG A 90 -5.223 -12.086 -3.863 1.00 2.35 H new ATOM 1338 N VAL A 91 -3.280 -6.618 -1.596 1.00 0.43 N ATOM 1339 CA VAL A 91 -3.375 -5.877 -2.844 1.00 0.43 C ATOM 1340 C VAL A 91 -2.146 -6.134 -3.726 1.00 0.41 C ATOM 1341 O VAL A 91 -2.262 -6.296 -4.939 1.00 0.41 O ATOM 1342 CB VAL A 91 -3.558 -4.365 -2.564 1.00 0.44 C ATOM 1343 CG1 VAL A 91 -3.298 -3.525 -3.808 1.00 0.47 C ATOM 1344 CG2 VAL A 91 -4.961 -4.106 -2.028 1.00 0.46 C ATOM 0 H VAL A 91 -3.065 -6.042 -0.782 1.00 0.43 H new ATOM 0 HA VAL A 91 -4.252 -6.228 -3.388 1.00 0.43 H new ATOM 0 HB VAL A 91 -2.824 -4.069 -1.814 1.00 0.44 H new ATOM 0 HG11 VAL A 91 -3.437 -2.470 -3.570 1.00 0.47 H new ATOM 0 HG12 VAL A 91 -2.276 -3.689 -4.150 1.00 0.47 H new ATOM 0 HG13 VAL A 91 -3.995 -3.814 -4.595 1.00 0.47 H new ATOM 0 HG21 VAL A 91 -5.085 -3.041 -1.832 1.00 0.46 H new ATOM 0 HG22 VAL A 91 -5.697 -4.428 -2.765 1.00 0.46 H new ATOM 0 HG23 VAL A 91 -5.106 -4.664 -1.103 1.00 0.46 H new ATOM 1354 N PHE A 92 -0.969 -6.189 -3.105 1.00 0.42 N ATOM 1355 CA PHE A 92 0.269 -6.454 -3.838 1.00 0.42 C ATOM 1356 C PHE A 92 0.417 -7.947 -4.123 1.00 0.43 C ATOM 1357 O PHE A 92 0.910 -8.342 -5.171 1.00 0.47 O ATOM 1358 CB PHE A 92 1.483 -5.974 -3.039 1.00 0.43 C ATOM 1359 CG PHE A 92 1.593 -4.484 -2.905 1.00 0.36 C ATOM 1360 CD1 PHE A 92 1.167 -3.641 -3.920 1.00 0.42 C ATOM 1361 CD2 PHE A 92 2.128 -3.927 -1.757 1.00 0.39 C ATOM 1362 CE1 PHE A 92 1.277 -2.271 -3.788 1.00 0.42 C ATOM 1363 CE2 PHE A 92 2.240 -2.564 -1.619 1.00 0.43 C ATOM 1364 CZ PHE A 92 1.816 -1.734 -2.637 1.00 0.40 C ATOM 0 H PHE A 92 -0.846 -6.054 -2.101 1.00 0.42 H new ATOM 0 HA PHE A 92 0.220 -5.910 -4.781 1.00 0.42 H new ATOM 0 HB2 PHE A 92 1.442 -6.413 -2.042 1.00 0.43 H new ATOM 0 HB3 PHE A 92 2.388 -6.350 -3.516 1.00 0.43 H new ATOM 0 HD1 PHE A 92 0.745 -4.060 -4.822 1.00 0.42 H new ATOM 0 HD2 PHE A 92 2.462 -4.572 -0.958 1.00 0.39 H new ATOM 0 HE1 PHE A 92 0.942 -1.622 -4.583 1.00 0.42 H new ATOM 0 HE2 PHE A 92 2.659 -2.144 -0.717 1.00 0.43 H new ATOM 0 HZ PHE A 92 1.906 -0.663 -2.532 1.00 0.40 H new ATOM 1374 N ASP A 93 -0.013 -8.764 -3.173 1.00 0.44 N ATOM 1375 CA ASP A 93 0.066 -10.215 -3.298 1.00 0.47 C ATOM 1376 C ASP A 93 -1.209 -10.740 -3.942 1.00 0.52 C ATOM 1377 O ASP A 93 -2.168 -11.082 -3.253 1.00 0.80 O ATOM 1378 CB ASP A 93 0.240 -10.826 -1.914 1.00 0.50 C ATOM 1379 CG ASP A 93 0.563 -12.302 -1.923 1.00 0.52 C ATOM 1380 OD1 ASP A 93 1.685 -12.662 -2.315 1.00 0.54 O ATOM 1381 OD2 ASP A 93 -0.287 -13.103 -1.509 1.00 0.80 O ATOM 0 H ASP A 93 -0.425 -8.443 -2.297 1.00 0.44 H new ATOM 0 HA ASP A 93 0.917 -10.487 -3.923 1.00 0.47 H new ATOM 0 HB2 ASP A 93 1.036 -10.295 -1.392 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -0.675 -10.670 -1.343 1.00 0.50 H new ATOM 1386 N LYS A 94 -1.189 -10.804 -5.264 1.00 0.48 N ATOM 1387 CA LYS A 94 -2.330 -11.227 -6.068 1.00 0.54 C ATOM 1388 C LYS A 94 -2.612 -12.724 -5.958 1.00 0.56 C ATOM 1389 O LYS A 94 -3.775 -13.144 -5.926 1.00 0.65 O ATOM 1390 CB LYS A 94 -2.069 -10.835 -7.522 1.00 0.60 C ATOM 1391 CG LYS A 94 -3.107 -11.342 -8.496 1.00 0.86 C ATOM 1392 CD LYS A 94 -2.560 -11.330 -9.904 1.00 1.06 C ATOM 1393 CE LYS A 94 -3.331 -12.286 -10.803 1.00 1.31 C ATOM 1394 NZ LYS A 94 -3.332 -13.681 -10.275 1.00 1.70 N ATOM 0 H LYS A 94 -0.369 -10.560 -5.819 1.00 0.48 H new ATOM 0 HA LYS A 94 -3.220 -10.725 -5.688 1.00 0.54 H new ATOM 0 HB2 LYS A 94 -2.023 -9.748 -7.591 1.00 0.60 H new ATOM 0 HB3 LYS A 94 -1.092 -11.215 -7.819 1.00 0.60 H new ATOM 0 HG2 LYS A 94 -3.406 -12.354 -8.224 1.00 0.86 H new ATOM 0 HG3 LYS A 94 -4.001 -10.720 -8.441 1.00 0.86 H new ATOM 0 HD2 LYS A 94 -2.616 -10.320 -10.310 1.00 1.06 H new ATOM 0 HD3 LYS A 94 -1.507 -11.610 -9.890 1.00 1.06 H new ATOM 0 HE2 LYS A 94 -4.359 -11.937 -10.904 1.00 1.31 H new ATOM 0 HE3 LYS A 94 -2.892 -12.277 -11.801 1.00 1.31 H new ATOM 0 HZ1 LYS A 94 -3.420 -14.351 -11.065 1.00 1.70 H new ATOM 0 HZ2 LYS A 94 -2.443 -13.860 -9.767 1.00 1.70 H new ATOM 0 HZ3 LYS A 94 -4.134 -13.805 -9.624 1.00 1.70 H new ATOM 1408 N ASP A 95 -1.561 -13.525 -5.885 1.00 0.55 N ATOM 1409 CA ASP A 95 -1.710 -14.975 -5.807 1.00 0.59 C ATOM 1410 C ASP A 95 -2.266 -15.416 -4.455 1.00 0.60 C ATOM 1411 O ASP A 95 -2.708 -16.555 -4.303 1.00 0.67 O ATOM 1412 CB ASP A 95 -0.370 -15.686 -6.100 1.00 0.59 C ATOM 1413 CG ASP A 95 0.785 -15.235 -5.213 1.00 0.55 C ATOM 1414 OD1 ASP A 95 0.562 -14.869 -4.053 1.00 0.62 O ATOM 1415 OD2 ASP A 95 1.947 -15.223 -5.685 1.00 0.58 O ATOM 0 H ASP A 95 -0.595 -13.199 -5.878 1.00 0.55 H new ATOM 0 HA ASP A 95 -2.430 -15.266 -6.572 1.00 0.59 H new ATOM 0 HB2 ASP A 95 -0.508 -16.760 -5.979 1.00 0.59 H new ATOM 0 HB3 ASP A 95 -0.101 -15.514 -7.142 1.00 0.59 H new ATOM 1420 N GLY A 96 -2.279 -14.504 -3.492 1.00 0.58 N ATOM 1421 CA GLY A 96 -2.769 -14.823 -2.169 1.00 0.61 C ATOM 1422 C GLY A 96 -1.899 -15.838 -1.457 1.00 0.61 C ATOM 1423 O GLY A 96 -2.358 -16.536 -0.552 1.00 0.72 O ATOM 0 H GLY A 96 -1.956 -13.543 -3.607 1.00 0.58 H new ATOM 0 HA2 GLY A 96 -2.819 -13.911 -1.574 1.00 0.61 H new ATOM 0 HA3 GLY A 96 -3.785 -15.210 -2.245 1.00 0.61 H new ATOM 1427 N ASN A 97 -0.630 -15.913 -1.857 1.00 0.61 N ATOM 1428 CA ASN A 97 0.308 -16.860 -1.260 1.00 0.62 C ATOM 1429 C ASN A 97 0.936 -16.270 -0.001 1.00 0.60 C ATOM 1430 O ASN A 97 1.419 -17.003 0.862 1.00 0.66 O ATOM 1431 CB ASN A 97 1.400 -17.267 -2.264 1.00 0.62 C ATOM 1432 CG ASN A 97 2.708 -16.504 -2.079 1.00 0.55 C ATOM 1433 OD1 ASN A 97 2.840 -15.361 -2.519 1.00 0.58 O ATOM 1434 ND2 ASN A 97 3.683 -17.138 -1.435 1.00 0.72 N ATOM 0 H ASN A 97 -0.229 -15.329 -2.591 1.00 0.61 H new ATOM 0 HA ASN A 97 -0.249 -17.756 -0.985 1.00 0.62 H new ATOM 0 HB2 ASN A 97 1.594 -18.335 -2.165 1.00 0.62 H new ATOM 0 HB3 ASN A 97 1.032 -17.102 -3.277 1.00 0.62 H new ATOM 0 HD21 ASN A 97 4.582 -16.678 -1.290 1.00 0.72 H new ATOM 0 HD22 ASN A 97 3.532 -18.085 -1.086 1.00 0.72 H new ATOM 1441 N GLY A 98 0.919 -14.947 0.103 1.00 0.55 N ATOM 1442 CA GLY A 98 1.482 -14.298 1.269 1.00 0.56 C ATOM 1443 C GLY A 98 2.924 -13.883 1.075 1.00 0.53 C ATOM 1444 O GLY A 98 3.690 -13.844 2.037 1.00 0.58 O ATOM 0 H GLY A 98 0.527 -14.316 -0.596 1.00 0.55 H new ATOM 0 HA2 GLY A 98 0.886 -13.418 1.512 1.00 0.56 H new ATOM 0 HA3 GLY A 98 1.416 -14.974 2.122 1.00 0.56 H new ATOM 1448 N TYR A 99 3.297 -13.565 -0.163 1.00 0.53 N ATOM 1449 CA TYR A 99 4.662 -13.151 -0.465 1.00 0.50 C ATOM 1450 C TYR A 99 4.703 -12.198 -1.655 1.00 0.50 C ATOM 1451 O TYR A 99 4.415 -12.580 -2.801 1.00 0.54 O ATOM 1452 CB TYR A 99 5.575 -14.360 -0.727 1.00 0.52 C ATOM 1453 CG TYR A 99 6.220 -14.932 0.521 1.00 0.70 C ATOM 1454 CD1 TYR A 99 7.253 -14.264 1.159 1.00 0.91 C ATOM 1455 CD2 TYR A 99 5.802 -16.145 1.056 1.00 0.92 C ATOM 1456 CE1 TYR A 99 7.851 -14.781 2.291 1.00 1.17 C ATOM 1457 CE2 TYR A 99 6.399 -16.666 2.192 1.00 1.19 C ATOM 1458 CZ TYR A 99 7.423 -15.976 2.800 1.00 1.26 C ATOM 1459 OH TYR A 99 8.007 -16.479 3.937 1.00 1.57 O ATOM 0 H TYR A 99 2.674 -13.587 -0.970 1.00 0.53 H new ATOM 0 HA TYR A 99 5.035 -12.625 0.414 1.00 0.50 H new ATOM 0 HB2 TYR A 99 4.993 -15.143 -1.213 1.00 0.52 H new ATOM 0 HB3 TYR A 99 6.358 -14.065 -1.425 1.00 0.52 H new ATOM 0 HD1 TYR A 99 7.597 -13.320 0.763 1.00 0.91 H new ATOM 0 HD2 TYR A 99 5.000 -16.689 0.579 1.00 0.92 H new ATOM 0 HE1 TYR A 99 8.654 -14.243 2.773 1.00 1.17 H new ATOM 0 HE2 TYR A 99 6.063 -17.608 2.598 1.00 1.19 H new ATOM 0 HH TYR A 99 7.589 -17.335 4.169 1.00 1.57 H new ATOM 1469 N ILE A 100 5.053 -10.956 -1.371 1.00 0.49 N ATOM 1470 CA ILE A 100 5.157 -9.929 -2.394 1.00 0.52 C ATOM 1471 C ILE A 100 6.546 -9.925 -3.025 1.00 0.61 C ATOM 1472 O ILE A 100 7.551 -9.991 -2.329 1.00 0.64 O ATOM 1473 CB ILE A 100 4.878 -8.536 -1.809 1.00 0.55 C ATOM 1474 CG1 ILE A 100 3.568 -8.537 -1.017 1.00 0.58 C ATOM 1475 CG2 ILE A 100 4.835 -7.500 -2.928 1.00 0.60 C ATOM 1476 CD1 ILE A 100 3.326 -7.240 -0.286 1.00 0.69 C ATOM 0 H ILE A 100 5.272 -10.631 -0.429 1.00 0.49 H new ATOM 0 HA ILE A 100 4.411 -10.159 -3.155 1.00 0.52 H new ATOM 0 HB ILE A 100 5.684 -8.274 -1.124 1.00 0.55 H new ATOM 0 HG12 ILE A 100 2.738 -8.726 -1.697 1.00 0.58 H new ATOM 0 HG13 ILE A 100 3.584 -9.356 -0.298 1.00 0.58 H new ATOM 0 HG21 ILE A 100 4.637 -6.515 -2.505 1.00 0.60 H new ATOM 0 HG22 ILE A 100 5.793 -7.485 -3.447 1.00 0.60 H new ATOM 0 HG23 ILE A 100 4.044 -7.758 -3.633 1.00 0.60 H new ATOM 0 HD11 ILE A 100 2.383 -7.299 0.258 1.00 0.69 H new ATOM 0 HD12 ILE A 100 4.140 -7.061 0.417 1.00 0.69 H new ATOM 0 HD13 ILE A 100 3.280 -6.421 -1.004 1.00 0.69 H new ATOM 1488 N SER A 101 6.586 -9.862 -4.346 1.00 0.84 N ATOM 1489 CA SER A 101 7.832 -9.829 -5.090 1.00 1.02 C ATOM 1490 C SER A 101 7.611 -9.048 -6.376 1.00 0.95 C ATOM 1491 O SER A 101 6.519 -8.513 -6.589 1.00 0.85 O ATOM 1492 CB SER A 101 8.268 -11.257 -5.425 1.00 1.14 C ATOM 1493 OG SER A 101 7.261 -12.188 -5.053 1.00 1.12 O ATOM 0 H SER A 101 5.752 -9.832 -4.933 1.00 0.84 H new ATOM 0 HA SER A 101 8.609 -9.351 -4.493 1.00 1.02 H new ATOM 0 HB2 SER A 101 8.471 -11.340 -6.493 1.00 1.14 H new ATOM 0 HB3 SER A 101 9.197 -11.491 -4.905 1.00 1.14 H new ATOM 0 HG SER A 101 7.474 -12.566 -4.174 1.00 1.12 H new ATOM 1499 N ALA A 102 8.616 -9.021 -7.256 1.00 1.01 N ATOM 1500 CA ALA A 102 8.482 -8.327 -8.533 1.00 0.98 C ATOM 1501 C ALA A 102 7.568 -9.129 -9.451 1.00 0.86 C ATOM 1502 O ALA A 102 7.354 -8.809 -10.613 1.00 1.30 O ATOM 1503 CB ALA A 102 9.839 -8.111 -9.177 1.00 1.09 C ATOM 0 H ALA A 102 9.521 -9.468 -7.107 1.00 1.01 H new ATOM 0 HA ALA A 102 8.041 -7.345 -8.359 1.00 0.98 H new ATOM 0 HB1 ALA A 102 9.712 -7.592 -10.127 1.00 1.09 H new ATOM 0 HB2 ALA A 102 10.464 -7.510 -8.516 1.00 1.09 H new ATOM 0 HB3 ALA A 102 10.317 -9.075 -9.351 1.00 1.09 H new ATOM 1509 N ALA A 103 7.029 -10.166 -8.857 1.00 0.56 N ATOM 1510 CA ALA A 103 6.108 -11.054 -9.518 1.00 0.66 C ATOM 1511 C ALA A 103 4.791 -10.320 -9.704 1.00 0.52 C ATOM 1512 O ALA A 103 4.460 -9.868 -10.799 1.00 0.57 O ATOM 1513 CB ALA A 103 5.915 -12.338 -8.729 1.00 0.93 C ATOM 0 H ALA A 103 7.221 -10.419 -7.888 1.00 0.56 H new ATOM 0 HA ALA A 103 6.510 -11.343 -10.489 1.00 0.66 H new ATOM 0 HB1 ALA A 103 5.214 -12.986 -9.255 1.00 0.93 H new ATOM 0 HB2 ALA A 103 6.873 -12.848 -8.624 1.00 0.93 H new ATOM 0 HB3 ALA A 103 5.520 -12.102 -7.741 1.00 0.93 H new ATOM 1519 N GLU A 104 4.052 -10.171 -8.616 1.00 0.45 N ATOM 1520 CA GLU A 104 2.766 -9.492 -8.675 1.00 0.42 C ATOM 1521 C GLU A 104 2.867 -7.980 -8.475 1.00 0.43 C ATOM 1522 O GLU A 104 1.956 -7.250 -8.862 1.00 0.46 O ATOM 1523 CB GLU A 104 1.823 -10.095 -7.638 1.00 0.51 C ATOM 1524 CG GLU A 104 1.849 -11.604 -7.602 1.00 0.49 C ATOM 1525 CD GLU A 104 2.154 -12.126 -6.222 1.00 0.60 C ATOM 1526 OE1 GLU A 104 1.223 -12.276 -5.417 1.00 0.83 O ATOM 1527 OE2 GLU A 104 3.332 -12.402 -5.915 1.00 0.78 O ATOM 0 H GLU A 104 4.316 -10.507 -7.690 1.00 0.45 H new ATOM 0 HA GLU A 104 2.374 -9.643 -9.681 1.00 0.42 H new ATOM 0 HB2 GLU A 104 2.088 -9.712 -6.652 1.00 0.51 H new ATOM 0 HB3 GLU A 104 0.806 -9.762 -7.847 1.00 0.51 H new ATOM 0 HG2 GLU A 104 0.886 -11.992 -7.933 1.00 0.49 H new ATOM 0 HG3 GLU A 104 2.598 -11.971 -8.303 1.00 0.49 H new ATOM 1534 N LEU A 105 3.946 -7.508 -7.864 1.00 0.43 N ATOM 1535 CA LEU A 105 4.099 -6.062 -7.651 1.00 0.47 C ATOM 1536 C LEU A 105 4.099 -5.352 -8.994 1.00 0.48 C ATOM 1537 O LEU A 105 3.462 -4.317 -9.161 1.00 0.50 O ATOM 1538 CB LEU A 105 5.374 -5.698 -6.871 1.00 0.50 C ATOM 1539 CG LEU A 105 5.455 -4.222 -6.430 1.00 0.55 C ATOM 1540 CD1 LEU A 105 4.509 -3.958 -5.270 1.00 0.61 C ATOM 1541 CD2 LEU A 105 6.873 -3.842 -6.052 1.00 0.63 C ATOM 0 H LEU A 105 4.713 -8.081 -7.513 1.00 0.43 H new ATOM 0 HA LEU A 105 3.255 -5.736 -7.043 1.00 0.47 H new ATOM 0 HB2 LEU A 105 5.437 -6.332 -5.987 1.00 0.50 H new ATOM 0 HB3 LEU A 105 6.241 -5.927 -7.490 1.00 0.50 H new ATOM 0 HG LEU A 105 5.152 -3.603 -7.275 1.00 0.55 H new ATOM 0 HD11 LEU A 105 4.580 -2.912 -4.973 1.00 0.61 H new ATOM 0 HD12 LEU A 105 3.487 -4.179 -5.577 1.00 0.61 H new ATOM 0 HD13 LEU A 105 4.781 -4.594 -4.427 1.00 0.61 H new ATOM 0 HD21 LEU A 105 6.900 -2.796 -5.745 1.00 0.63 H new ATOM 0 HD22 LEU A 105 7.211 -4.471 -5.228 1.00 0.63 H new ATOM 0 HD23 LEU A 105 7.529 -3.985 -6.910 1.00 0.63 H new ATOM 1553 N ARG A 106 4.786 -5.950 -9.968 1.00 0.49 N ATOM 1554 CA ARG A 106 4.856 -5.389 -11.318 1.00 0.52 C ATOM 1555 C ARG A 106 3.452 -5.248 -11.901 1.00 0.53 C ATOM 1556 O ARG A 106 3.100 -4.206 -12.459 1.00 0.59 O ATOM 1557 CB ARG A 106 5.709 -6.279 -12.218 1.00 0.56 C ATOM 1558 CG ARG A 106 5.594 -5.932 -13.693 1.00 0.82 C ATOM 1559 CD ARG A 106 6.111 -7.056 -14.574 1.00 0.84 C ATOM 1560 NE ARG A 106 7.571 -7.215 -14.510 1.00 0.72 N ATOM 1561 CZ ARG A 106 8.196 -8.324 -14.086 1.00 0.86 C ATOM 1562 NH1 ARG A 106 7.498 -9.371 -13.641 1.00 1.18 N ATOM 1563 NH2 ARG A 106 9.520 -8.386 -14.140 1.00 0.90 N ATOM 0 H ARG A 106 5.301 -6.822 -9.848 1.00 0.49 H new ATOM 0 HA ARG A 106 5.317 -4.403 -11.263 1.00 0.52 H new ATOM 0 HB2 ARG A 106 6.752 -6.198 -11.913 1.00 0.56 H new ATOM 0 HB3 ARG A 106 5.415 -7.318 -12.073 1.00 0.56 H new ATOM 0 HG2 ARG A 106 4.552 -5.726 -13.939 1.00 0.82 H new ATOM 0 HG3 ARG A 106 6.156 -5.021 -13.898 1.00 0.82 H new ATOM 0 HD2 ARG A 106 5.636 -7.991 -14.276 1.00 0.84 H new ATOM 0 HD3 ARG A 106 5.817 -6.865 -15.606 1.00 0.84 H new ATOM 0 HE ARG A 106 8.148 -6.429 -14.808 1.00 0.72 H new ATOM 0 HH11 ARG A 106 6.479 -9.333 -13.621 1.00 1.18 H new ATOM 0 HH12 ARG A 106 7.984 -10.209 -13.321 1.00 1.18 H new ATOM 0 HH21 ARG A 106 10.053 -7.595 -14.501 1.00 0.90 H new ATOM 0 HH22 ARG A 106 10.005 -9.225 -13.820 1.00 0.90 H new ATOM 1577 N HIS A 107 2.662 -6.298 -11.738 1.00 0.52 N ATOM 1578 CA HIS A 107 1.295 -6.320 -12.230 1.00 0.54 C ATOM 1579 C HIS A 107 0.479 -5.159 -11.662 1.00 0.54 C ATOM 1580 O HIS A 107 -0.143 -4.412 -12.412 1.00 0.59 O ATOM 1581 CB HIS A 107 0.634 -7.657 -11.869 1.00 0.58 C ATOM 1582 CG HIS A 107 -0.713 -7.880 -12.490 1.00 0.62 C ATOM 1583 ND1 HIS A 107 -0.844 -8.460 -13.727 1.00 0.80 N ATOM 1584 CD2 HIS A 107 -1.948 -7.601 -12.003 1.00 0.60 C ATOM 1585 CE1 HIS A 107 -2.138 -8.524 -13.966 1.00 0.83 C ATOM 1586 NE2 HIS A 107 -2.847 -8.014 -12.955 1.00 0.70 N ATOM 0 H HIS A 107 2.949 -7.154 -11.264 1.00 0.52 H new ATOM 0 HA HIS A 107 1.322 -6.209 -13.314 1.00 0.54 H new ATOM 0 HB2 HIS A 107 1.297 -8.468 -12.172 1.00 0.58 H new ATOM 0 HB3 HIS A 107 0.533 -7.716 -10.785 1.00 0.58 H new ATOM 0 HD2 HIS A 107 -2.179 -7.143 -11.052 1.00 0.60 H new ATOM 0 HE1 HIS A 107 -2.571 -8.937 -14.865 1.00 0.83 H new ATOM 0 HE2 HIS A 107 -3.863 -7.945 -12.901 1.00 0.70 H new ATOM 1594 N VAL A 108 0.517 -4.978 -10.346 1.00 0.49 N ATOM 1595 CA VAL A 108 -0.256 -3.919 -9.695 1.00 0.49 C ATOM 1596 C VAL A 108 0.291 -2.529 -10.027 1.00 0.49 C ATOM 1597 O VAL A 108 -0.480 -1.594 -10.245 1.00 0.52 O ATOM 1598 CB VAL A 108 -0.293 -4.111 -8.156 1.00 0.50 C ATOM 1599 CG1 VAL A 108 -1.415 -3.300 -7.526 1.00 0.53 C ATOM 1600 CG2 VAL A 108 -0.443 -5.595 -7.797 1.00 0.53 C ATOM 0 H VAL A 108 1.073 -5.548 -9.708 1.00 0.49 H new ATOM 0 HA VAL A 108 -1.272 -3.991 -10.084 1.00 0.49 H new ATOM 0 HB VAL A 108 0.654 -3.749 -7.755 1.00 0.50 H new ATOM 0 HG11 VAL A 108 -1.415 -3.456 -6.447 1.00 0.53 H new ATOM 0 HG12 VAL A 108 -1.264 -2.242 -7.740 1.00 0.53 H new ATOM 0 HG13 VAL A 108 -2.372 -3.620 -7.939 1.00 0.53 H new ATOM 0 HG21 VAL A 108 -0.467 -5.707 -6.713 1.00 0.53 H new ATOM 0 HG22 VAL A 108 -1.370 -5.980 -8.222 1.00 0.53 H new ATOM 0 HG23 VAL A 108 0.401 -6.154 -8.201 1.00 0.53 H new ATOM 1610 N MET A 109 1.615 -2.396 -10.076 1.00 0.47 N ATOM 1611 CA MET A 109 2.248 -1.104 -10.380 1.00 0.49 C ATOM 1612 C MET A 109 1.797 -0.579 -11.735 1.00 0.50 C ATOM 1613 O MET A 109 1.443 0.595 -11.864 1.00 0.52 O ATOM 1614 CB MET A 109 3.777 -1.208 -10.353 1.00 0.50 C ATOM 1615 CG MET A 109 4.444 -0.260 -9.352 1.00 0.62 C ATOM 1616 SD MET A 109 4.450 -0.879 -7.653 1.00 0.80 S ATOM 1617 CE MET A 109 2.786 -0.502 -7.105 1.00 0.86 C ATOM 0 H MET A 109 2.271 -3.159 -9.911 1.00 0.47 H new ATOM 0 HA MET A 109 1.933 -0.405 -9.605 1.00 0.49 H new ATOM 0 HB2 MET A 109 4.058 -2.233 -10.111 1.00 0.50 H new ATOM 0 HB3 MET A 109 4.164 -0.999 -11.350 1.00 0.50 H new ATOM 0 HG2 MET A 109 5.472 -0.079 -9.667 1.00 0.62 H new ATOM 0 HG3 MET A 109 3.929 0.701 -9.377 1.00 0.62 H new ATOM 0 HE1 MET A 109 2.747 -0.529 -6.016 1.00 0.86 H new ATOM 0 HE2 MET A 109 2.504 0.491 -7.454 1.00 0.86 H new ATOM 0 HE3 MET A 109 2.093 -1.239 -7.511 1.00 0.86 H new ATOM 1627 N THR A 110 1.807 -1.447 -12.734 1.00 0.50 N ATOM 1628 CA THR A 110 1.390 -1.063 -14.070 1.00 0.54 C ATOM 1629 C THR A 110 -0.135 -0.886 -14.140 1.00 0.53 C ATOM 1630 O THR A 110 -0.636 -0.091 -14.934 1.00 0.54 O ATOM 1631 CB THR A 110 1.835 -2.105 -15.124 1.00 0.58 C ATOM 1632 OG1 THR A 110 3.219 -2.464 -14.938 1.00 0.59 O ATOM 1633 CG2 THR A 110 1.627 -1.561 -16.536 1.00 0.67 C ATOM 0 H THR A 110 2.099 -2.420 -12.644 1.00 0.50 H new ATOM 0 HA THR A 110 1.873 -0.112 -14.294 1.00 0.54 H new ATOM 0 HB THR A 110 1.222 -2.997 -14.993 1.00 0.58 H new ATOM 0 HG1 THR A 110 3.305 -3.037 -14.148 1.00 0.59 H new ATOM 0 HG21 THR A 110 1.945 -2.307 -17.264 1.00 0.67 H new ATOM 0 HG22 THR A 110 0.572 -1.334 -16.687 1.00 0.67 H new ATOM 0 HG23 THR A 110 2.215 -0.653 -16.666 1.00 0.67 H new ATOM 1641 N ASN A 111 -0.866 -1.600 -13.282 1.00 0.53 N ATOM 1642 CA ASN A 111 -2.333 -1.520 -13.267 1.00 0.56 C ATOM 1643 C ASN A 111 -2.825 -0.189 -12.690 1.00 0.55 C ATOM 1644 O ASN A 111 -3.802 0.379 -13.176 1.00 0.58 O ATOM 1645 CB ASN A 111 -2.940 -2.680 -12.483 1.00 0.58 C ATOM 1646 CG ASN A 111 -3.873 -3.507 -13.337 1.00 0.65 C ATOM 1647 OD1 ASN A 111 -4.995 -3.091 -13.636 1.00 0.86 O ATOM 1648 ND2 ASN A 111 -3.416 -4.684 -13.730 1.00 0.88 N ATOM 0 H ASN A 111 -0.471 -2.238 -12.591 1.00 0.53 H new ATOM 0 HA ASN A 111 -2.662 -1.584 -14.304 1.00 0.56 H new ATOM 0 HB2 ASN A 111 -2.142 -3.315 -12.097 1.00 0.58 H new ATOM 0 HB3 ASN A 111 -3.484 -2.292 -11.622 1.00 0.58 H new ATOM 0 HD21 ASN A 111 -3.999 -5.291 -14.306 1.00 0.88 H new ATOM 0 HD22 ASN A 111 -2.480 -4.985 -13.457 1.00 0.88 H new ATOM 1655 N LEU A 112 -2.157 0.300 -11.650 1.00 0.54 N ATOM 1656 CA LEU A 112 -2.540 1.565 -11.017 1.00 0.57 C ATOM 1657 C LEU A 112 -2.204 2.766 -11.905 1.00 0.61 C ATOM 1658 O LEU A 112 -2.610 3.894 -11.616 1.00 0.68 O ATOM 1659 CB LEU A 112 -1.836 1.730 -9.653 1.00 0.59 C ATOM 1660 CG LEU A 112 -2.149 0.656 -8.606 1.00 0.58 C ATOM 1661 CD1 LEU A 112 -1.093 0.640 -7.507 1.00 0.93 C ATOM 1662 CD2 LEU A 112 -3.531 0.880 -8.005 1.00 0.63 C ATOM 0 H LEU A 112 -1.349 -0.156 -11.226 1.00 0.54 H new ATOM 0 HA LEU A 112 -3.619 1.533 -10.869 1.00 0.57 H new ATOM 0 HB2 LEU A 112 -0.759 1.744 -9.821 1.00 0.59 H new ATOM 0 HB3 LEU A 112 -2.107 2.702 -9.241 1.00 0.59 H new ATOM 0 HG LEU A 112 -2.137 -0.313 -9.106 1.00 0.58 H new ATOM 0 HD11 LEU A 112 -1.339 -0.131 -6.777 1.00 0.93 H new ATOM 0 HD12 LEU A 112 -0.117 0.428 -7.943 1.00 0.93 H new ATOM 0 HD13 LEU A 112 -1.067 1.612 -7.013 1.00 0.93 H new ATOM 0 HD21 LEU A 112 -3.735 0.107 -7.264 1.00 0.63 H new ATOM 0 HD22 LEU A 112 -3.566 1.859 -7.527 1.00 0.63 H new ATOM 0 HD23 LEU A 112 -4.282 0.834 -8.793 1.00 0.63 H new ATOM 1674 N GLY A 113 -1.439 2.533 -12.970 1.00 0.67 N ATOM 1675 CA GLY A 113 -1.077 3.611 -13.871 1.00 0.75 C ATOM 1676 C GLY A 113 0.040 4.460 -13.321 1.00 0.77 C ATOM 1677 O GLY A 113 0.070 5.672 -13.523 1.00 0.89 O ATOM 0 H GLY A 113 -1.065 1.618 -13.223 1.00 0.67 H new ATOM 0 HA2 GLY A 113 -0.775 3.194 -14.832 1.00 0.75 H new ATOM 0 HA3 GLY A 113 -1.950 4.237 -14.056 1.00 0.75 H new ATOM 1681 N GLU A 114 0.970 3.820 -12.632 1.00 0.72 N ATOM 1682 CA GLU A 114 2.086 4.530 -12.038 1.00 0.79 C ATOM 1683 C GLU A 114 3.230 4.669 -13.024 1.00 0.79 C ATOM 1684 O GLU A 114 3.263 4.003 -14.061 1.00 0.83 O ATOM 1685 CB GLU A 114 2.565 3.825 -10.779 1.00 0.84 C ATOM 1686 CG GLU A 114 2.084 4.490 -9.494 1.00 0.95 C ATOM 1687 CD GLU A 114 2.775 5.811 -9.198 1.00 1.07 C ATOM 1688 OE1 GLU A 114 2.982 6.610 -10.132 1.00 1.61 O ATOM 1689 OE2 GLU A 114 3.122 6.051 -8.014 1.00 1.55 O ATOM 0 H GLU A 114 0.973 2.813 -12.471 1.00 0.72 H new ATOM 0 HA GLU A 114 1.739 5.528 -11.770 1.00 0.79 H new ATOM 0 HB2 GLU A 114 2.219 2.791 -10.796 1.00 0.84 H new ATOM 0 HB3 GLU A 114 3.655 3.797 -10.779 1.00 0.84 H new ATOM 0 HG2 GLU A 114 1.009 4.659 -9.562 1.00 0.95 H new ATOM 0 HG3 GLU A 114 2.247 3.809 -8.659 1.00 0.95 H new ATOM 1696 N LYS A 115 4.171 5.529 -12.685 1.00 0.77 N ATOM 1697 CA LYS A 115 5.322 5.782 -13.534 1.00 0.80 C ATOM 1698 C LYS A 115 6.493 4.894 -13.116 1.00 0.82 C ATOM 1699 O LYS A 115 7.516 5.392 -12.633 1.00 1.18 O ATOM 1700 CB LYS A 115 5.740 7.252 -13.443 1.00 0.84 C ATOM 1701 CG LYS A 115 4.581 8.218 -13.177 1.00 0.91 C ATOM 1702 CD LYS A 115 4.531 8.671 -11.721 1.00 1.07 C ATOM 1703 CE LYS A 115 3.339 9.585 -11.449 1.00 1.17 C ATOM 1704 NZ LYS A 115 2.062 8.840 -11.284 1.00 1.02 N ATOM 0 H LYS A 115 4.161 6.069 -11.820 1.00 0.77 H new ATOM 0 HA LYS A 115 5.045 5.552 -14.563 1.00 0.80 H new ATOM 0 HB2 LYS A 115 6.478 7.360 -12.648 1.00 0.84 H new ATOM 0 HB3 LYS A 115 6.230 7.537 -14.374 1.00 0.84 H new ATOM 0 HG2 LYS A 115 4.681 9.090 -13.824 1.00 0.91 H new ATOM 0 HG3 LYS A 115 3.640 7.734 -13.438 1.00 0.91 H new ATOM 0 HD2 LYS A 115 4.474 7.798 -11.071 1.00 1.07 H new ATOM 0 HD3 LYS A 115 5.454 9.195 -11.472 1.00 1.07 H new ATOM 0 HE2 LYS A 115 3.533 10.167 -10.548 1.00 1.17 H new ATOM 0 HE3 LYS A 115 3.236 10.294 -12.271 1.00 1.17 H new ATOM 0 HZ1 LYS A 115 1.442 9.355 -10.626 1.00 1.02 H new ATOM 0 HZ2 LYS A 115 1.590 8.751 -12.207 1.00 1.02 H new ATOM 0 HZ3 LYS A 115 2.260 7.892 -10.904 1.00 1.02 H new ATOM 1718 N LEU A 116 6.331 3.584 -13.267 1.00 0.64 N ATOM 1719 CA LEU A 116 7.379 2.636 -12.888 1.00 0.65 C ATOM 1720 C LEU A 116 7.537 1.526 -13.916 1.00 0.65 C ATOM 1721 O LEU A 116 6.575 0.828 -14.244 1.00 0.68 O ATOM 1722 CB LEU A 116 7.080 1.995 -11.525 1.00 0.70 C ATOM 1723 CG LEU A 116 7.225 2.924 -10.323 1.00 0.93 C ATOM 1724 CD1 LEU A 116 5.905 3.599 -10.006 1.00 1.27 C ATOM 1725 CD2 LEU A 116 7.731 2.164 -9.116 1.00 0.93 C ATOM 0 H LEU A 116 5.488 3.153 -13.647 1.00 0.64 H new ATOM 0 HA LEU A 116 8.305 3.209 -12.834 1.00 0.65 H new ATOM 0 HB2 LEU A 116 6.063 1.604 -11.541 1.00 0.70 H new ATOM 0 HB3 LEU A 116 7.747 1.143 -11.388 1.00 0.70 H new ATOM 0 HG LEU A 116 7.955 3.693 -10.576 1.00 0.93 H new ATOM 0 HD11 LEU A 116 6.030 4.257 -9.146 1.00 1.27 H new ATOM 0 HD12 LEU A 116 5.580 4.184 -10.866 1.00 1.27 H new ATOM 0 HD13 LEU A 116 5.155 2.842 -9.778 1.00 1.27 H new ATOM 0 HD21 LEU A 116 7.827 2.846 -8.271 1.00 0.93 H new ATOM 0 HD22 LEU A 116 7.027 1.371 -8.864 1.00 0.93 H new ATOM 0 HD23 LEU A 116 8.704 1.728 -9.342 1.00 0.93 H new ATOM 1737 N THR A 117 8.759 1.363 -14.398 1.00 0.70 N ATOM 1738 CA THR A 117 9.077 0.325 -15.368 1.00 0.73 C ATOM 1739 C THR A 117 9.557 -0.940 -14.653 1.00 0.71 C ATOM 1740 O THR A 117 9.592 -0.991 -13.419 1.00 0.69 O ATOM 1741 CB THR A 117 10.177 0.799 -16.335 1.00 0.81 C ATOM 1742 OG1 THR A 117 10.436 2.193 -16.127 1.00 0.93 O ATOM 1743 CG2 THR A 117 9.769 0.556 -17.786 1.00 1.04 C ATOM 0 H THR A 117 9.555 1.942 -14.130 1.00 0.70 H new ATOM 0 HA THR A 117 8.171 0.108 -15.933 1.00 0.73 H new ATOM 0 HB THR A 117 11.083 0.227 -16.135 1.00 0.81 H new ATOM 0 HG1 THR A 117 11.138 2.491 -16.743 1.00 0.93 H new ATOM 0 HG21 THR A 117 10.563 0.899 -18.450 1.00 1.04 H new ATOM 0 HG22 THR A 117 9.600 -0.509 -17.943 1.00 1.04 H new ATOM 0 HG23 THR A 117 8.852 1.104 -18.003 1.00 1.04 H new ATOM 1751 N ASP A 118 9.949 -1.942 -15.424 1.00 0.73 N ATOM 1752 CA ASP A 118 10.417 -3.214 -14.876 1.00 0.74 C ATOM 1753 C ASP A 118 11.583 -3.024 -13.917 1.00 0.73 C ATOM 1754 O ASP A 118 11.589 -3.587 -12.824 1.00 0.74 O ATOM 1755 CB ASP A 118 10.833 -4.159 -16.005 1.00 0.79 C ATOM 1756 CG ASP A 118 10.269 -5.550 -15.823 1.00 0.97 C ATOM 1757 OD1 ASP A 118 9.070 -5.738 -16.081 1.00 1.20 O ATOM 1758 OD2 ASP A 118 11.027 -6.465 -15.432 1.00 1.38 O ATOM 0 H ASP A 118 9.953 -1.901 -16.443 1.00 0.73 H new ATOM 0 HA ASP A 118 9.588 -3.650 -14.319 1.00 0.74 H new ATOM 0 HB2 ASP A 118 10.495 -3.754 -16.959 1.00 0.79 H new ATOM 0 HB3 ASP A 118 11.921 -4.213 -16.049 1.00 0.79 H new ATOM 1763 N GLU A 119 12.566 -2.227 -14.332 1.00 0.72 N ATOM 1764 CA GLU A 119 13.738 -1.964 -13.502 1.00 0.73 C ATOM 1765 C GLU A 119 13.379 -1.123 -12.277 1.00 0.70 C ATOM 1766 O GLU A 119 14.084 -1.156 -11.274 1.00 0.71 O ATOM 1767 CB GLU A 119 14.836 -1.276 -14.306 1.00 0.78 C ATOM 1768 CG GLU A 119 15.657 -2.225 -15.173 1.00 1.15 C ATOM 1769 CD GLU A 119 16.562 -1.499 -16.160 1.00 1.69 C ATOM 1770 OE1 GLU A 119 17.635 -1.020 -15.746 1.00 2.33 O ATOM 1771 OE2 GLU A 119 16.188 -1.400 -17.347 1.00 2.18 O ATOM 0 H GLU A 119 12.574 -1.754 -15.236 1.00 0.72 H new ATOM 0 HA GLU A 119 14.111 -2.928 -13.156 1.00 0.73 H new ATOM 0 HB2 GLU A 119 14.384 -0.517 -14.944 1.00 0.78 H new ATOM 0 HB3 GLU A 119 15.505 -0.758 -13.619 1.00 0.78 H new ATOM 0 HG2 GLU A 119 16.266 -2.860 -14.530 1.00 1.15 H new ATOM 0 HG3 GLU A 119 14.982 -2.881 -15.723 1.00 1.15 H new ATOM 1778 N GLU A 120 12.279 -0.369 -12.357 1.00 0.70 N ATOM 1779 CA GLU A 120 11.844 0.446 -11.244 1.00 0.69 C ATOM 1780 C GLU A 120 11.272 -0.459 -10.156 1.00 0.67 C ATOM 1781 O GLU A 120 11.395 -0.189 -8.964 1.00 0.68 O ATOM 1782 CB GLU A 120 10.802 1.480 -11.700 1.00 0.72 C ATOM 1783 CG GLU A 120 11.339 2.450 -12.748 1.00 0.85 C ATOM 1784 CD GLU A 120 12.528 3.244 -12.252 1.00 1.09 C ATOM 1785 OE1 GLU A 120 12.323 4.243 -11.534 1.00 1.33 O ATOM 1786 OE2 GLU A 120 13.677 2.863 -12.585 1.00 1.86 O ATOM 0 H GLU A 120 11.682 -0.313 -13.182 1.00 0.70 H new ATOM 0 HA GLU A 120 12.697 0.994 -10.843 1.00 0.69 H new ATOM 0 HB2 GLU A 120 9.936 0.959 -12.107 1.00 0.72 H new ATOM 0 HB3 GLU A 120 10.457 2.045 -10.834 1.00 0.72 H new ATOM 0 HG2 GLU A 120 11.626 1.893 -13.640 1.00 0.85 H new ATOM 0 HG3 GLU A 120 10.545 3.137 -13.042 1.00 0.85 H new ATOM 1793 N VAL A 121 10.646 -1.547 -10.592 1.00 0.66 N ATOM 1794 CA VAL A 121 10.081 -2.532 -9.679 1.00 0.66 C ATOM 1795 C VAL A 121 11.209 -3.198 -8.887 1.00 0.64 C ATOM 1796 O VAL A 121 11.095 -3.378 -7.678 1.00 0.63 O ATOM 1797 CB VAL A 121 9.277 -3.612 -10.425 1.00 0.70 C ATOM 1798 CG1 VAL A 121 8.533 -4.504 -9.443 1.00 0.71 C ATOM 1799 CG2 VAL A 121 8.324 -2.965 -11.415 1.00 0.76 C ATOM 0 H VAL A 121 10.517 -1.769 -11.579 1.00 0.66 H new ATOM 0 HA VAL A 121 9.399 -2.011 -9.007 1.00 0.66 H new ATOM 0 HB VAL A 121 9.969 -4.243 -10.983 1.00 0.70 H new ATOM 0 HG11 VAL A 121 7.971 -5.260 -9.992 1.00 0.71 H new ATOM 0 HG12 VAL A 121 9.248 -4.992 -8.781 1.00 0.71 H new ATOM 0 HG13 VAL A 121 7.845 -3.900 -8.851 1.00 0.71 H new ATOM 0 HG21 VAL A 121 7.761 -3.739 -11.937 1.00 0.76 H new ATOM 0 HG22 VAL A 121 7.634 -2.311 -10.882 1.00 0.76 H new ATOM 0 HG23 VAL A 121 8.892 -2.380 -12.138 1.00 0.76 H new ATOM 1809 N ASP A 122 12.295 -3.558 -9.585 1.00 0.65 N ATOM 1810 CA ASP A 122 13.443 -4.181 -8.940 1.00 0.66 C ATOM 1811 C ASP A 122 14.044 -3.217 -7.935 1.00 0.65 C ATOM 1812 O ASP A 122 14.315 -3.586 -6.791 1.00 0.66 O ATOM 1813 CB ASP A 122 14.511 -4.597 -9.972 1.00 0.71 C ATOM 1814 CG ASP A 122 15.938 -4.579 -9.407 1.00 0.81 C ATOM 1815 OD1 ASP A 122 16.227 -5.331 -8.450 1.00 0.89 O ATOM 1816 OD2 ASP A 122 16.774 -3.802 -9.923 1.00 0.96 O ATOM 0 H ASP A 122 12.396 -3.426 -10.591 1.00 0.65 H new ATOM 0 HA ASP A 122 13.102 -5.082 -8.430 1.00 0.66 H new ATOM 0 HB2 ASP A 122 14.284 -5.599 -10.336 1.00 0.71 H new ATOM 0 HB3 ASP A 122 14.458 -3.927 -10.830 1.00 0.71 H new ATOM 1821 N GLU A 123 14.232 -1.973 -8.366 1.00 0.66 N ATOM 1822 CA GLU A 123 14.804 -0.945 -7.506 1.00 0.68 C ATOM 1823 C GLU A 123 13.993 -0.777 -6.232 1.00 0.66 C ATOM 1824 O GLU A 123 14.545 -0.815 -5.132 1.00 0.66 O ATOM 1825 CB GLU A 123 14.915 0.400 -8.244 1.00 0.75 C ATOM 1826 CG GLU A 123 15.849 1.387 -7.565 1.00 0.86 C ATOM 1827 CD GLU A 123 17.282 0.905 -7.513 1.00 0.91 C ATOM 1828 OE1 GLU A 123 17.832 0.546 -8.571 1.00 1.13 O ATOM 1829 OE2 GLU A 123 17.866 0.874 -6.411 1.00 1.20 O ATOM 0 H GLU A 123 13.996 -1.654 -9.306 1.00 0.66 H new ATOM 0 HA GLU A 123 15.807 -1.273 -7.234 1.00 0.68 H new ATOM 0 HB2 GLU A 123 15.265 0.220 -9.260 1.00 0.75 H new ATOM 0 HB3 GLU A 123 13.923 0.845 -8.323 1.00 0.75 H new ATOM 0 HG2 GLU A 123 15.811 2.339 -8.095 1.00 0.86 H new ATOM 0 HG3 GLU A 123 15.497 1.573 -6.550 1.00 0.86 H new ATOM 1836 N MET A 124 12.685 -0.650 -6.384 1.00 0.67 N ATOM 1837 CA MET A 124 11.798 -0.454 -5.243 1.00 0.69 C ATOM 1838 C MET A 124 11.792 -1.672 -4.330 1.00 0.69 C ATOM 1839 O MET A 124 11.904 -1.538 -3.127 1.00 0.76 O ATOM 1840 CB MET A 124 10.379 -0.150 -5.719 1.00 0.72 C ATOM 1841 CG MET A 124 9.373 0.076 -4.599 1.00 0.64 C ATOM 1842 SD MET A 124 7.853 0.833 -5.222 1.00 0.61 S ATOM 1843 CE MET A 124 6.728 0.481 -3.881 1.00 0.68 C ATOM 0 H MET A 124 12.211 -0.679 -7.287 1.00 0.67 H new ATOM 0 HA MET A 124 12.173 0.395 -4.672 1.00 0.69 H new ATOM 0 HB2 MET A 124 10.404 0.737 -6.352 1.00 0.72 H new ATOM 0 HB3 MET A 124 10.033 -0.976 -6.340 1.00 0.72 H new ATOM 0 HG2 MET A 124 9.138 -0.875 -4.121 1.00 0.64 H new ATOM 0 HG3 MET A 124 9.814 0.717 -3.835 1.00 0.64 H new ATOM 0 HE1 MET A 124 5.764 0.947 -4.083 1.00 0.68 H new ATOM 0 HE2 MET A 124 6.598 -0.597 -3.789 1.00 0.68 H new ATOM 0 HE3 MET A 124 7.135 0.878 -2.951 1.00 0.68 H new ATOM 1853 N ILE A 125 11.680 -2.859 -4.928 1.00 0.65 N ATOM 1854 CA ILE A 125 11.637 -4.121 -4.185 1.00 0.68 C ATOM 1855 C ILE A 125 12.802 -4.253 -3.188 1.00 0.66 C ATOM 1856 O ILE A 125 12.666 -4.880 -2.129 1.00 0.64 O ATOM 1857 CB ILE A 125 11.647 -5.315 -5.181 1.00 0.71 C ATOM 1858 CG1 ILE A 125 10.224 -5.659 -5.644 1.00 0.71 C ATOM 1859 CG2 ILE A 125 12.302 -6.548 -4.566 1.00 0.90 C ATOM 1860 CD1 ILE A 125 9.322 -6.145 -4.525 1.00 0.92 C ATOM 0 H ILE A 125 11.617 -2.973 -5.940 1.00 0.65 H new ATOM 0 HA ILE A 125 10.715 -4.130 -3.604 1.00 0.68 H new ATOM 0 HB ILE A 125 12.234 -5.007 -6.046 1.00 0.71 H new ATOM 0 HG12 ILE A 125 9.777 -4.777 -6.103 1.00 0.71 H new ATOM 0 HG13 ILE A 125 10.278 -6.427 -6.416 1.00 0.71 H new ATOM 0 HG21 ILE A 125 12.292 -7.364 -5.289 1.00 0.90 H new ATOM 0 HG22 ILE A 125 13.332 -6.316 -4.295 1.00 0.90 H new ATOM 0 HG23 ILE A 125 11.750 -6.846 -3.674 1.00 0.90 H new ATOM 0 HD11 ILE A 125 8.333 -6.369 -4.926 1.00 0.92 H new ATOM 0 HD12 ILE A 125 9.746 -7.046 -4.081 1.00 0.92 H new ATOM 0 HD13 ILE A 125 9.238 -5.370 -3.763 1.00 0.92 H new ATOM 1872 N ARG A 126 13.927 -3.617 -3.507 1.00 0.73 N ATOM 1873 CA ARG A 126 15.115 -3.693 -2.664 1.00 0.77 C ATOM 1874 C ARG A 126 15.101 -2.663 -1.532 1.00 0.77 C ATOM 1875 O ARG A 126 16.148 -2.341 -0.968 1.00 0.87 O ATOM 1876 CB ARG A 126 16.373 -3.509 -3.515 1.00 0.81 C ATOM 1877 CG ARG A 126 16.666 -4.673 -4.446 1.00 0.93 C ATOM 1878 CD ARG A 126 17.942 -4.444 -5.234 1.00 0.94 C ATOM 1879 NE ARG A 126 17.688 -3.832 -6.535 1.00 0.90 N ATOM 1880 CZ ARG A 126 17.881 -2.539 -6.805 1.00 0.83 C ATOM 1881 NH1 ARG A 126 18.229 -1.691 -5.852 1.00 0.81 N ATOM 1882 NH2 ARG A 126 17.710 -2.085 -8.028 1.00 0.89 N ATOM 0 H ARG A 126 14.040 -3.044 -4.343 1.00 0.73 H new ATOM 0 HA ARG A 126 15.117 -4.681 -2.203 1.00 0.77 H new ATOM 0 HB2 ARG A 126 16.268 -2.601 -4.108 1.00 0.81 H new ATOM 0 HB3 ARG A 126 17.227 -3.362 -2.854 1.00 0.81 H new ATOM 0 HG2 ARG A 126 16.755 -5.591 -3.866 1.00 0.93 H new ATOM 0 HG3 ARG A 126 15.831 -4.810 -5.134 1.00 0.93 H new ATOM 0 HD2 ARG A 126 18.612 -3.805 -4.659 1.00 0.94 H new ATOM 0 HD3 ARG A 126 18.454 -5.396 -5.376 1.00 0.94 H new ATOM 0 HE ARG A 126 17.341 -4.430 -7.285 1.00 0.90 H new ATOM 0 HH11 ARG A 126 18.354 -2.022 -4.895 1.00 0.81 H new ATOM 0 HH12 ARG A 126 18.373 -0.706 -6.074 1.00 0.81 H new ATOM 0 HH21 ARG A 126 17.429 -2.722 -8.774 1.00 0.89 H new ATOM 0 HH22 ARG A 126 17.858 -1.096 -8.230 1.00 0.89 H new ATOM 1896 N GLU A 127 13.924 -2.139 -1.202 1.00 0.76 N ATOM 1897 CA GLU A 127 13.824 -1.158 -0.143 1.00 0.77 C ATOM 1898 C GLU A 127 13.470 -1.827 1.188 1.00 0.74 C ATOM 1899 O GLU A 127 14.124 -1.594 2.204 1.00 0.75 O ATOM 1900 CB GLU A 127 12.825 -0.054 -0.529 1.00 0.88 C ATOM 1901 CG GLU A 127 11.465 -0.152 0.140 1.00 0.97 C ATOM 1902 CD GLU A 127 10.448 -0.914 -0.672 1.00 1.39 C ATOM 1903 OE1 GLU A 127 10.593 -2.154 -0.786 1.00 2.04 O ATOM 1904 OE2 GLU A 127 9.512 -0.281 -1.186 1.00 1.87 O ATOM 0 H GLU A 127 13.040 -2.378 -1.651 1.00 0.76 H new ATOM 0 HA GLU A 127 14.795 -0.683 -0.007 1.00 0.77 H new ATOM 0 HB2 GLU A 127 13.264 0.913 -0.284 1.00 0.88 H new ATOM 0 HB3 GLU A 127 12.683 -0.076 -1.610 1.00 0.88 H new ATOM 0 HG2 GLU A 127 11.580 -0.636 1.110 1.00 0.97 H new ATOM 0 HG3 GLU A 127 11.088 0.853 0.328 1.00 0.97 H new ATOM 1911 N ALA A 128 12.444 -2.683 1.167 1.00 0.78 N ATOM 1912 CA ALA A 128 11.992 -3.394 2.357 1.00 0.82 C ATOM 1913 C ALA A 128 12.684 -4.739 2.476 1.00 0.74 C ATOM 1914 O ALA A 128 12.819 -5.268 3.577 1.00 0.76 O ATOM 1915 CB ALA A 128 10.490 -3.579 2.316 1.00 0.96 C ATOM 0 H ALA A 128 11.908 -2.899 0.326 1.00 0.78 H new ATOM 0 HA ALA A 128 12.251 -2.798 3.232 1.00 0.82 H new ATOM 0 HB1 ALA A 128 10.164 -4.111 3.210 1.00 0.96 H new ATOM 0 HB2 ALA A 128 10.004 -2.604 2.277 1.00 0.96 H new ATOM 0 HB3 ALA A 128 10.218 -4.155 1.432 1.00 0.96 H new ATOM 1921 N ASP A 129 13.097 -5.291 1.340 1.00 0.71 N ATOM 1922 CA ASP A 129 13.786 -6.577 1.325 1.00 0.68 C ATOM 1923 C ASP A 129 15.180 -6.419 1.917 1.00 0.71 C ATOM 1924 O ASP A 129 16.071 -5.833 1.298 1.00 0.78 O ATOM 1925 CB ASP A 129 13.885 -7.132 -0.094 1.00 0.69 C ATOM 1926 CG ASP A 129 14.498 -8.510 -0.115 1.00 0.71 C ATOM 1927 OD1 ASP A 129 14.263 -9.281 0.830 1.00 0.87 O ATOM 1928 OD2 ASP A 129 15.219 -8.829 -1.077 1.00 0.76 O ATOM 0 H ASP A 129 12.967 -4.870 0.420 1.00 0.71 H new ATOM 0 HA ASP A 129 13.210 -7.281 1.926 1.00 0.68 H new ATOM 0 HB2 ASP A 129 12.891 -7.170 -0.540 1.00 0.69 H new ATOM 0 HB3 ASP A 129 14.484 -6.458 -0.707 1.00 0.69 H new ATOM 1933 N ILE A 130 15.367 -6.956 3.107 1.00 0.74 N ATOM 1934 CA ILE A 130 16.639 -6.835 3.824 1.00 0.81 C ATOM 1935 C ILE A 130 17.465 -8.110 3.735 1.00 0.84 C ATOM 1936 O ILE A 130 18.700 -8.059 3.738 1.00 0.92 O ATOM 1937 CB ILE A 130 16.384 -6.479 5.307 1.00 0.88 C ATOM 1938 CG1 ILE A 130 15.420 -5.290 5.395 1.00 0.86 C ATOM 1939 CG2 ILE A 130 17.688 -6.183 6.043 1.00 1.01 C ATOM 1940 CD1 ILE A 130 15.882 -4.061 4.628 1.00 0.88 C ATOM 0 H ILE A 130 14.653 -7.486 3.608 1.00 0.74 H new ATOM 0 HA ILE A 130 17.207 -6.036 3.348 1.00 0.81 H new ATOM 0 HB ILE A 130 15.929 -7.340 5.796 1.00 0.88 H new ATOM 0 HG12 ILE A 130 14.445 -5.597 5.016 1.00 0.86 H new ATOM 0 HG13 ILE A 130 15.285 -5.022 6.443 1.00 0.86 H new ATOM 0 HG21 ILE A 130 17.471 -5.937 7.082 1.00 1.01 H new ATOM 0 HG22 ILE A 130 18.334 -7.060 6.005 1.00 1.01 H new ATOM 0 HG23 ILE A 130 18.191 -5.341 5.568 1.00 1.01 H new ATOM 0 HD11 ILE A 130 15.146 -3.265 4.740 1.00 0.88 H new ATOM 0 HD12 ILE A 130 16.842 -3.726 5.021 1.00 0.88 H new ATOM 0 HD13 ILE A 130 15.989 -4.310 3.572 1.00 0.88 H new ATOM 1952 N ASP A 131 16.800 -9.252 3.639 1.00 0.83 N ATOM 1953 CA ASP A 131 17.519 -10.522 3.533 1.00 0.87 C ATOM 1954 C ASP A 131 17.988 -10.716 2.099 1.00 0.89 C ATOM 1955 O ASP A 131 18.805 -11.585 1.801 1.00 0.98 O ATOM 1956 CB ASP A 131 16.660 -11.711 3.998 1.00 0.88 C ATOM 1957 CG ASP A 131 15.535 -12.049 3.049 1.00 0.84 C ATOM 1958 OD1 ASP A 131 14.552 -11.276 2.997 1.00 0.88 O ATOM 1959 OD2 ASP A 131 15.619 -13.084 2.373 1.00 1.02 O ATOM 0 H ASP A 131 15.783 -9.331 3.632 1.00 0.83 H new ATOM 0 HA ASP A 131 18.384 -10.484 4.196 1.00 0.87 H new ATOM 0 HB2 ASP A 131 17.299 -12.586 4.118 1.00 0.88 H new ATOM 0 HB3 ASP A 131 16.242 -11.485 4.979 1.00 0.88 H new ATOM 1964 N GLY A 132 17.466 -9.868 1.219 1.00 0.87 N ATOM 1965 CA GLY A 132 17.844 -9.899 -0.177 1.00 0.92 C ATOM 1966 C GLY A 132 17.398 -11.158 -0.893 1.00 0.92 C ATOM 1967 O GLY A 132 18.229 -11.896 -1.426 1.00 0.94 O ATOM 0 H GLY A 132 16.779 -9.152 1.455 1.00 0.87 H new ATOM 0 HA2 GLY A 132 17.416 -9.032 -0.681 1.00 0.92 H new ATOM 0 HA3 GLY A 132 18.928 -9.810 -0.255 1.00 0.92 H new ATOM 1971 N ASP A 133 16.094 -11.405 -0.911 1.00 0.94 N ATOM 1972 CA ASP A 133 15.538 -12.578 -1.574 1.00 0.94 C ATOM 1973 C ASP A 133 14.601 -12.168 -2.694 1.00 0.89 C ATOM 1974 O ASP A 133 14.100 -13.014 -3.430 1.00 0.95 O ATOM 1975 CB ASP A 133 14.807 -13.469 -0.580 1.00 0.91 C ATOM 1976 CG ASP A 133 13.394 -12.995 -0.272 1.00 0.84 C ATOM 1977 OD1 ASP A 133 13.227 -11.808 0.082 1.00 0.79 O ATOM 1978 OD2 ASP A 133 12.452 -13.805 -0.397 1.00 0.95 O ATOM 0 H ASP A 133 15.397 -10.804 -0.471 1.00 0.94 H new ATOM 0 HA ASP A 133 16.366 -13.144 -2.001 1.00 0.94 H new ATOM 0 HB2 ASP A 133 14.764 -14.484 -0.976 1.00 0.91 H new ATOM 0 HB3 ASP A 133 15.378 -13.512 0.347 1.00 0.91 H new ATOM 1983 N GLY A 134 14.350 -10.868 -2.811 1.00 0.84 N ATOM 1984 CA GLY A 134 13.494 -10.362 -3.880 1.00 0.84 C ATOM 1985 C GLY A 134 12.032 -10.284 -3.486 1.00 0.74 C ATOM 1986 O GLY A 134 11.182 -9.867 -4.276 1.00 0.78 O ATOM 0 H GLY A 134 14.722 -10.152 -2.187 1.00 0.84 H new ATOM 0 HA2 GLY A 134 13.838 -9.370 -4.174 1.00 0.84 H new ATOM 0 HA3 GLY A 134 13.595 -11.006 -4.753 1.00 0.84 H new ATOM 1990 N GLN A 135 11.730 -10.698 -2.273 1.00 0.69 N ATOM 1991 CA GLN A 135 10.361 -10.674 -1.784 1.00 0.65 C ATOM 1992 C GLN A 135 10.266 -9.901 -0.485 1.00 0.63 C ATOM 1993 O GLN A 135 11.148 -9.984 0.368 1.00 0.73 O ATOM 1994 CB GLN A 135 9.831 -12.088 -1.548 1.00 0.68 C ATOM 1995 CG GLN A 135 10.240 -13.088 -2.603 1.00 0.77 C ATOM 1996 CD GLN A 135 9.146 -14.094 -2.886 1.00 0.88 C ATOM 1997 OE1 GLN A 135 7.971 -13.739 -2.984 1.00 1.26 O ATOM 1998 NE2 GLN A 135 9.519 -15.356 -2.994 1.00 1.23 N ATOM 0 H GLN A 135 12.412 -11.056 -1.605 1.00 0.69 H new ATOM 0 HA GLN A 135 9.758 -10.185 -2.550 1.00 0.65 H new ATOM 0 HB2 GLN A 135 10.182 -12.438 -0.577 1.00 0.68 H new ATOM 0 HB3 GLN A 135 8.743 -12.052 -1.500 1.00 0.68 H new ATOM 0 HG2 GLN A 135 10.494 -12.561 -3.523 1.00 0.77 H new ATOM 0 HG3 GLN A 135 11.138 -13.612 -2.277 1.00 0.77 H new ATOM 0 HE21 GLN A 135 10.504 -15.606 -2.906 1.00 1.23 H new ATOM 0 HE22 GLN A 135 8.822 -16.081 -3.165 1.00 1.23 H new ATOM 2007 N VAL A 136 9.191 -9.154 -0.338 1.00 0.60 N ATOM 2008 CA VAL A 136 8.955 -8.392 0.878 1.00 0.59 C ATOM 2009 C VAL A 136 7.974 -9.159 1.757 1.00 0.58 C ATOM 2010 O VAL A 136 6.808 -9.336 1.387 1.00 0.61 O ATOM 2011 CB VAL A 136 8.408 -6.981 0.593 1.00 0.60 C ATOM 2012 CG1 VAL A 136 8.200 -6.233 1.893 1.00 0.59 C ATOM 2013 CG2 VAL A 136 9.352 -6.224 -0.324 1.00 0.69 C ATOM 0 H VAL A 136 8.463 -9.056 -1.046 1.00 0.60 H new ATOM 0 HA VAL A 136 9.911 -8.265 1.386 1.00 0.59 H new ATOM 0 HB VAL A 136 7.445 -7.068 0.089 1.00 0.60 H new ATOM 0 HG11 VAL A 136 7.813 -5.236 1.681 1.00 0.59 H new ATOM 0 HG12 VAL A 136 7.487 -6.775 2.514 1.00 0.59 H new ATOM 0 HG13 VAL A 136 9.150 -6.149 2.420 1.00 0.59 H new ATOM 0 HG21 VAL A 136 8.952 -5.228 -0.516 1.00 0.69 H new ATOM 0 HG22 VAL A 136 10.329 -6.137 0.151 1.00 0.69 H new ATOM 0 HG23 VAL A 136 9.454 -6.762 -1.266 1.00 0.69 H new ATOM 2023 N ASN A 137 8.435 -9.634 2.899 1.00 0.58 N ATOM 2024 CA ASN A 137 7.566 -10.390 3.788 1.00 0.59 C ATOM 2025 C ASN A 137 6.798 -9.454 4.725 1.00 0.59 C ATOM 2026 O ASN A 137 6.963 -8.234 4.674 1.00 0.59 O ATOM 2027 CB ASN A 137 8.339 -11.475 4.569 1.00 0.61 C ATOM 2028 CG ASN A 137 9.351 -10.954 5.568 1.00 0.63 C ATOM 2029 OD1 ASN A 137 9.137 -9.949 6.238 1.00 0.97 O ATOM 2030 ND2 ASN A 137 10.464 -11.661 5.692 1.00 0.86 N ATOM 0 H ASN A 137 9.392 -9.514 3.232 1.00 0.58 H new ATOM 0 HA ASN A 137 6.838 -10.913 3.169 1.00 0.59 H new ATOM 0 HB2 ASN A 137 7.620 -12.101 5.097 1.00 0.61 H new ATOM 0 HB3 ASN A 137 8.855 -12.116 3.854 1.00 0.61 H new ATOM 0 HD21 ASN A 137 11.178 -11.375 6.362 1.00 0.86 H new ATOM 0 HD22 ASN A 137 10.607 -12.492 5.118 1.00 0.86 H new ATOM 2037 N TYR A 138 5.974 -10.037 5.581 1.00 0.61 N ATOM 2038 CA TYR A 138 5.151 -9.284 6.518 1.00 0.63 C ATOM 2039 C TYR A 138 5.982 -8.357 7.404 1.00 0.63 C ATOM 2040 O TYR A 138 5.687 -7.165 7.508 1.00 0.65 O ATOM 2041 CB TYR A 138 4.360 -10.272 7.385 1.00 0.67 C ATOM 2042 CG TYR A 138 2.980 -9.793 7.731 1.00 0.72 C ATOM 2043 CD1 TYR A 138 2.025 -9.616 6.739 1.00 0.90 C ATOM 2044 CD2 TYR A 138 2.625 -9.517 9.051 1.00 0.89 C ATOM 2045 CE1 TYR A 138 0.751 -9.180 7.051 1.00 1.10 C ATOM 2046 CE2 TYR A 138 1.353 -9.078 9.366 1.00 1.04 C ATOM 2047 CZ TYR A 138 0.422 -8.915 8.360 1.00 1.10 C ATOM 2048 OH TYR A 138 -0.851 -8.489 8.657 1.00 1.35 O ATOM 0 H TYR A 138 5.856 -11.048 5.647 1.00 0.61 H new ATOM 0 HA TYR A 138 4.474 -8.651 5.945 1.00 0.63 H new ATOM 0 HB2 TYR A 138 4.285 -11.224 6.860 1.00 0.67 H new ATOM 0 HB3 TYR A 138 4.913 -10.459 8.306 1.00 0.67 H new ATOM 0 HD1 TYR A 138 2.281 -9.822 5.710 1.00 0.90 H new ATOM 0 HD2 TYR A 138 3.354 -9.648 9.837 1.00 0.89 H new ATOM 0 HE1 TYR A 138 0.017 -9.048 6.270 1.00 1.10 H new ATOM 0 HE2 TYR A 138 1.089 -8.864 10.391 1.00 1.04 H new ATOM 0 HH TYR A 138 -0.931 -8.345 9.623 1.00 1.35 H new ATOM 2058 N GLU A 139 7.028 -8.894 8.018 1.00 0.64 N ATOM 2059 CA GLU A 139 7.874 -8.108 8.922 1.00 0.66 C ATOM 2060 C GLU A 139 8.646 -7.019 8.191 1.00 0.62 C ATOM 2061 O GLU A 139 8.828 -5.921 8.715 1.00 0.60 O ATOM 2062 CB GLU A 139 8.843 -9.005 9.686 1.00 0.72 C ATOM 2063 CG GLU A 139 8.269 -9.563 10.974 1.00 1.39 C ATOM 2064 CD GLU A 139 7.036 -10.412 10.753 1.00 1.99 C ATOM 2065 OE1 GLU A 139 7.184 -11.586 10.371 1.00 2.39 O ATOM 2066 OE2 GLU A 139 5.912 -9.911 10.967 1.00 2.60 O ATOM 0 H GLU A 139 7.315 -9.867 7.911 1.00 0.64 H new ATOM 0 HA GLU A 139 7.202 -7.623 9.630 1.00 0.66 H new ATOM 0 HB2 GLU A 139 9.142 -9.833 9.043 1.00 0.72 H new ATOM 0 HB3 GLU A 139 9.745 -8.438 9.916 1.00 0.72 H new ATOM 0 HG2 GLU A 139 9.030 -10.161 11.475 1.00 1.39 H new ATOM 0 HG3 GLU A 139 8.021 -8.738 11.642 1.00 1.39 H new ATOM 2073 N GLU A 140 9.099 -7.314 6.984 1.00 0.61 N ATOM 2074 CA GLU A 140 9.842 -6.349 6.200 1.00 0.59 C ATOM 2075 C GLU A 140 8.948 -5.161 5.857 1.00 0.55 C ATOM 2076 O GLU A 140 9.373 -4.005 5.920 1.00 0.55 O ATOM 2077 CB GLU A 140 10.398 -7.000 4.924 1.00 0.60 C ATOM 2078 CG GLU A 140 11.470 -8.055 5.194 1.00 0.63 C ATOM 2079 CD GLU A 140 11.963 -8.734 3.928 1.00 0.62 C ATOM 2080 OE1 GLU A 140 11.134 -9.287 3.171 1.00 0.63 O ATOM 2081 OE2 GLU A 140 13.184 -8.750 3.680 1.00 0.66 O ATOM 0 H GLU A 140 8.964 -8.216 6.528 1.00 0.61 H new ATOM 0 HA GLU A 140 10.687 -5.992 6.789 1.00 0.59 H new ATOM 0 HB2 GLU A 140 9.577 -7.460 4.373 1.00 0.60 H new ATOM 0 HB3 GLU A 140 10.817 -6.224 4.283 1.00 0.60 H new ATOM 0 HG2 GLU A 140 12.314 -7.587 5.701 1.00 0.63 H new ATOM 0 HG3 GLU A 140 11.069 -8.808 5.872 1.00 0.63 H new ATOM 2088 N PHE A 141 7.697 -5.453 5.518 1.00 0.55 N ATOM 2089 CA PHE A 141 6.743 -4.398 5.189 1.00 0.54 C ATOM 2090 C PHE A 141 6.342 -3.626 6.456 1.00 0.55 C ATOM 2091 O PHE A 141 6.206 -2.403 6.425 1.00 0.56 O ATOM 2092 CB PHE A 141 5.496 -4.968 4.517 1.00 0.62 C ATOM 2093 CG PHE A 141 4.713 -3.966 3.716 1.00 0.62 C ATOM 2094 CD1 PHE A 141 5.083 -3.651 2.414 1.00 0.59 C ATOM 2095 CD2 PHE A 141 3.597 -3.354 4.258 1.00 0.80 C ATOM 2096 CE1 PHE A 141 4.353 -2.741 1.675 1.00 0.68 C ATOM 2097 CE2 PHE A 141 2.861 -2.442 3.526 1.00 0.88 C ATOM 2098 CZ PHE A 141 3.236 -2.131 2.234 1.00 0.79 C ATOM 0 H PHE A 141 7.322 -6.400 5.464 1.00 0.55 H new ATOM 0 HA PHE A 141 7.229 -3.717 4.490 1.00 0.54 H new ATOM 0 HB2 PHE A 141 5.793 -5.787 3.862 1.00 0.62 H new ATOM 0 HB3 PHE A 141 4.846 -5.391 5.283 1.00 0.62 H new ATOM 0 HD1 PHE A 141 5.950 -4.123 1.976 1.00 0.59 H new ATOM 0 HD2 PHE A 141 3.297 -3.592 5.268 1.00 0.80 H new ATOM 0 HE1 PHE A 141 4.650 -2.504 0.664 1.00 0.68 H new ATOM 0 HE2 PHE A 141 1.993 -1.973 3.964 1.00 0.88 H new ATOM 0 HZ PHE A 141 2.664 -1.417 1.660 1.00 0.79 H new ATOM 2108 N VAL A 142 6.160 -4.358 7.573 1.00 0.57 N ATOM 2109 CA VAL A 142 5.793 -3.753 8.862 1.00 0.60 C ATOM 2110 C VAL A 142 6.747 -2.619 9.221 1.00 0.59 C ATOM 2111 O VAL A 142 6.333 -1.497 9.505 1.00 0.58 O ATOM 2112 CB VAL A 142 5.786 -4.801 10.010 1.00 0.65 C ATOM 2113 CG1 VAL A 142 5.769 -4.127 11.381 1.00 0.70 C ATOM 2114 CG2 VAL A 142 4.581 -5.734 9.891 1.00 0.66 C ATOM 0 H VAL A 142 6.262 -5.372 7.605 1.00 0.57 H new ATOM 0 HA VAL A 142 4.784 -3.357 8.749 1.00 0.60 H new ATOM 0 HB VAL A 142 6.703 -5.383 9.917 1.00 0.65 H new ATOM 0 HG11 VAL A 142 5.764 -4.889 12.161 1.00 0.70 H new ATOM 0 HG12 VAL A 142 6.655 -3.501 11.490 1.00 0.70 H new ATOM 0 HG13 VAL A 142 4.875 -3.509 11.472 1.00 0.70 H new ATOM 0 HG21 VAL A 142 4.599 -6.458 10.706 1.00 0.66 H new ATOM 0 HG22 VAL A 142 3.662 -5.150 9.945 1.00 0.66 H new ATOM 0 HG23 VAL A 142 4.621 -6.260 8.937 1.00 0.66 H new ATOM 2124 N GLN A 143 8.039 -2.928 9.170 1.00 0.61 N ATOM 2125 CA GLN A 143 9.065 -1.970 9.496 1.00 0.62 C ATOM 2126 C GLN A 143 9.054 -0.800 8.524 1.00 0.59 C ATOM 2127 O GLN A 143 9.132 0.362 8.932 1.00 0.69 O ATOM 2128 CB GLN A 143 10.422 -2.670 9.514 1.00 0.72 C ATOM 2129 CG GLN A 143 10.590 -3.648 10.682 1.00 1.03 C ATOM 2130 CD GLN A 143 11.837 -4.514 10.572 1.00 1.17 C ATOM 2131 OE1 GLN A 143 12.918 -4.135 11.020 1.00 1.50 O ATOM 2132 NE2 GLN A 143 11.682 -5.699 10.002 1.00 1.47 N ATOM 0 H GLN A 143 8.393 -3.846 8.902 1.00 0.61 H new ATOM 0 HA GLN A 143 8.868 -1.559 10.486 1.00 0.62 H new ATOM 0 HB2 GLN A 143 10.556 -3.210 8.576 1.00 0.72 H new ATOM 0 HB3 GLN A 143 11.209 -1.918 9.564 1.00 0.72 H new ATOM 0 HG2 GLN A 143 10.629 -3.085 11.615 1.00 1.03 H new ATOM 0 HG3 GLN A 143 9.713 -4.293 10.735 1.00 1.03 H new ATOM 0 HE21 GLN A 143 10.769 -5.977 9.643 1.00 1.47 H new ATOM 0 HE22 GLN A 143 12.476 -6.334 9.922 1.00 1.47 H new ATOM 2141 N MET A 144 8.924 -1.115 7.236 1.00 0.57 N ATOM 2142 CA MET A 144 8.904 -0.099 6.177 1.00 0.62 C ATOM 2143 C MET A 144 7.717 0.845 6.317 1.00 0.62 C ATOM 2144 O MET A 144 7.823 2.039 6.045 1.00 0.70 O ATOM 2145 CB MET A 144 8.869 -0.756 4.791 1.00 0.72 C ATOM 2146 CG MET A 144 10.155 -0.590 4.002 1.00 0.84 C ATOM 2147 SD MET A 144 10.301 1.032 3.234 1.00 0.89 S ATOM 2148 CE MET A 144 8.992 0.937 2.012 1.00 0.88 C ATOM 0 H MET A 144 8.830 -2.072 6.896 1.00 0.57 H new ATOM 0 HA MET A 144 9.820 0.483 6.281 1.00 0.62 H new ATOM 0 HB2 MET A 144 8.660 -1.819 4.908 1.00 0.72 H new ATOM 0 HB3 MET A 144 8.045 -0.331 4.218 1.00 0.72 H new ATOM 0 HG2 MET A 144 11.005 -0.751 4.665 1.00 0.84 H new ATOM 0 HG3 MET A 144 10.203 -1.358 3.230 1.00 0.84 H new ATOM 0 HE1 MET A 144 9.193 1.644 1.207 1.00 0.88 H new ATOM 0 HE2 MET A 144 8.947 -0.073 1.605 1.00 0.88 H new ATOM 0 HE3 MET A 144 8.039 1.182 2.480 1.00 0.88 H new ATOM 2158 N MET A 145 6.588 0.300 6.742 1.00 0.62 N ATOM 2159 CA MET A 145 5.377 1.088 6.917 1.00 0.70 C ATOM 2160 C MET A 145 5.479 1.938 8.180 1.00 0.69 C ATOM 2161 O MET A 145 5.085 3.105 8.184 1.00 0.74 O ATOM 2162 CB MET A 145 4.148 0.179 6.991 1.00 0.81 C ATOM 2163 CG MET A 145 2.828 0.932 7.033 1.00 1.05 C ATOM 2164 SD MET A 145 1.848 0.706 5.533 1.00 0.94 S ATOM 2165 CE MET A 145 0.206 0.585 6.243 1.00 1.47 C ATOM 0 H MET A 145 6.485 -0.688 6.973 1.00 0.62 H new ATOM 0 HA MET A 145 5.268 1.747 6.056 1.00 0.70 H new ATOM 0 HB2 MET A 145 4.148 -0.487 6.128 1.00 0.81 H new ATOM 0 HB3 MET A 145 4.225 -0.449 7.878 1.00 0.81 H new ATOM 0 HG2 MET A 145 2.250 0.596 7.894 1.00 1.05 H new ATOM 0 HG3 MET A 145 3.025 1.994 7.177 1.00 1.05 H new ATOM 0 HE1 MET A 145 -0.475 0.150 5.512 1.00 1.47 H new ATOM 0 HE2 MET A 145 0.239 -0.047 7.130 1.00 1.47 H new ATOM 0 HE3 MET A 145 -0.145 1.579 6.519 1.00 1.47 H new ATOM 2175 N THR A 146 6.041 1.358 9.227 1.00 0.68 N ATOM 2176 CA THR A 146 6.186 2.054 10.494 1.00 0.74 C ATOM 2177 C THR A 146 7.164 3.227 10.395 1.00 0.81 C ATOM 2178 O THR A 146 6.793 4.372 10.647 1.00 0.94 O ATOM 2179 CB THR A 146 6.636 1.085 11.605 1.00 0.89 C ATOM 2180 OG1 THR A 146 5.694 0.006 11.728 1.00 0.93 O ATOM 2181 CG2 THR A 146 6.743 1.796 12.938 1.00 1.07 C ATOM 0 H THR A 146 6.405 0.405 9.224 1.00 0.68 H new ATOM 0 HA THR A 146 5.206 2.457 10.749 1.00 0.74 H new ATOM 0 HB THR A 146 7.617 0.696 11.331 1.00 0.89 H new ATOM 0 HG1 THR A 146 5.823 -0.627 10.991 1.00 0.93 H new ATOM 0 HG21 THR A 146 7.062 1.088 13.703 1.00 1.07 H new ATOM 0 HG22 THR A 146 7.472 2.603 12.863 1.00 1.07 H new ATOM 0 HG23 THR A 146 5.772 2.209 13.209 1.00 1.07 H new ATOM 2189 N ALA A 147 8.397 2.948 10.007 1.00 0.91 N ATOM 2190 CA ALA A 147 9.419 3.997 9.884 1.00 1.05 C ATOM 2191 C ALA A 147 9.222 4.816 8.616 1.00 1.22 C ATOM 2192 O ALA A 147 8.177 4.752 7.973 1.00 1.28 O ATOM 2193 CB ALA A 147 10.811 3.380 9.888 1.00 1.33 C ATOM 0 H ALA A 147 8.723 2.011 9.771 1.00 0.91 H new ATOM 0 HA ALA A 147 9.316 4.663 10.740 1.00 1.05 H new ATOM 0 HB1 ALA A 147 11.559 4.168 9.796 1.00 1.33 H new ATOM 0 HB2 ALA A 147 10.967 2.839 10.821 1.00 1.33 H new ATOM 0 HB3 ALA A 147 10.906 2.691 9.049 1.00 1.33 H new TER 2199 ALA A 147 ATOM 2200 N MET B 1 -10.822 -1.431 0.620 1.00 1.22 N ATOM 2201 CA MET B 1 -9.356 -1.422 0.812 1.00 0.87 C ATOM 2202 C MET B 1 -8.713 -0.688 -0.350 1.00 0.74 C ATOM 2203 O MET B 1 -7.776 0.068 -0.173 1.00 0.83 O ATOM 2204 CB MET B 1 -8.810 -2.852 0.907 1.00 1.06 C ATOM 2205 CG MET B 1 -9.088 -3.501 2.243 1.00 1.77 C ATOM 2206 SD MET B 1 -10.841 -3.814 2.501 1.00 2.30 S ATOM 2207 CE MET B 1 -10.752 -5.028 3.810 1.00 2.55 C ATOM 0 H1 MET B 1 -11.268 -1.990 1.375 1.00 1.22 H new ATOM 0 H2 MET B 1 -11.182 -0.456 0.652 1.00 1.22 H new ATOM 0 H3 MET B 1 -11.049 -1.854 -0.303 1.00 1.22 H new ATOM 0 HA MET B 1 -9.119 -0.913 1.746 1.00 0.87 H new ATOM 0 HB2 MET B 1 -9.252 -3.457 0.116 1.00 1.06 H new ATOM 0 HB3 MET B 1 -7.734 -2.837 0.733 1.00 1.06 H new ATOM 0 HG2 MET B 1 -8.540 -4.441 2.308 1.00 1.77 H new ATOM 0 HG3 MET B 1 -8.715 -2.859 3.041 1.00 1.77 H new ATOM 0 HE1 MET B 1 -11.740 -5.162 4.250 1.00 2.55 H new ATOM 0 HE2 MET B 1 -10.404 -5.977 3.403 1.00 2.55 H new ATOM 0 HE3 MET B 1 -10.057 -4.686 4.577 1.00 2.55 H new ATOM 2219 N ASP B 2 -9.286 -0.909 -1.514 1.00 0.76 N ATOM 2220 CA ASP B 2 -8.882 -0.314 -2.784 1.00 0.78 C ATOM 2221 C ASP B 2 -8.212 1.062 -2.690 1.00 0.70 C ATOM 2222 O ASP B 2 -6.998 1.184 -2.834 1.00 0.70 O ATOM 2223 CB ASP B 2 -10.148 -0.181 -3.633 1.00 0.98 C ATOM 2224 CG ASP B 2 -11.365 -0.103 -2.733 1.00 1.25 C ATOM 2225 OD1 ASP B 2 -11.501 0.893 -1.986 1.00 1.67 O ATOM 2226 OD2 ASP B 2 -12.139 -1.078 -2.693 1.00 1.88 O ATOM 0 H ASP B 2 -10.084 -1.537 -1.612 1.00 0.76 H new ATOM 0 HA ASP B 2 -8.124 -0.969 -3.212 1.00 0.78 H new ATOM 0 HB2 ASP B 2 -10.087 0.712 -4.255 1.00 0.98 H new ATOM 0 HB3 ASP B 2 -10.236 -1.034 -4.306 1.00 0.98 H new ATOM 2231 N CYS B 3 -8.989 2.090 -2.384 1.00 0.64 N ATOM 2232 CA CYS B 3 -8.455 3.460 -2.333 1.00 0.57 C ATOM 2233 C CYS B 3 -7.416 3.661 -1.197 1.00 0.57 C ATOM 2234 O CYS B 3 -6.497 4.476 -1.303 1.00 0.59 O ATOM 2235 CB CYS B 3 -9.610 4.477 -2.221 1.00 0.51 C ATOM 2236 SG CYS B 3 -10.786 4.448 -3.614 1.00 0.42 S ATOM 0 H CYS B 3 -9.983 2.013 -2.168 1.00 0.64 H new ATOM 0 HA CYS B 3 -7.919 3.633 -3.266 1.00 0.57 H new ATOM 0 HB2 CYS B 3 -10.156 4.286 -1.297 1.00 0.51 H new ATOM 0 HB3 CYS B 3 -9.188 5.479 -2.140 1.00 0.51 H new ATOM 0 HG CYS B 3 -10.133 4.325 -4.731 1.00 0.42 H new ATOM 2242 N LEU B 4 -7.529 2.871 -0.149 1.00 0.59 N ATOM 2243 CA LEU B 4 -6.636 2.946 1.007 1.00 0.61 C ATOM 2244 C LEU B 4 -5.336 2.197 0.725 1.00 0.57 C ATOM 2245 O LEU B 4 -4.272 2.615 1.191 1.00 0.56 O ATOM 2246 CB LEU B 4 -7.363 2.373 2.234 1.00 0.67 C ATOM 2247 CG LEU B 4 -6.684 2.642 3.574 1.00 0.90 C ATOM 2248 CD1 LEU B 4 -6.113 4.049 3.613 1.00 1.09 C ATOM 2249 CD2 LEU B 4 -7.629 2.393 4.741 1.00 1.25 C ATOM 0 H LEU B 4 -8.246 2.150 -0.067 1.00 0.59 H new ATOM 0 HA LEU B 4 -6.373 3.984 1.208 1.00 0.61 H new ATOM 0 HB2 LEU B 4 -8.371 2.787 2.266 1.00 0.67 H new ATOM 0 HB3 LEU B 4 -7.465 1.295 2.106 1.00 0.67 H new ATOM 0 HG LEU B 4 -5.857 1.939 3.677 1.00 0.90 H new ATOM 0 HD11 LEU B 4 -5.633 4.220 4.577 1.00 1.09 H new ATOM 0 HD12 LEU B 4 -5.378 4.166 2.816 1.00 1.09 H new ATOM 0 HD13 LEU B 4 -6.917 4.772 3.474 1.00 1.09 H new ATOM 0 HD21 LEU B 4 -7.111 2.595 5.678 1.00 1.25 H new ATOM 0 HD22 LEU B 4 -8.494 3.051 4.656 1.00 1.25 H new ATOM 0 HD23 LEU B 4 -7.960 1.355 4.726 1.00 1.25 H new ATOM 2261 N CYS B 5 -5.398 1.109 -0.023 1.00 0.58 N ATOM 2262 CA CYS B 5 -4.183 0.406 -0.348 1.00 0.57 C ATOM 2263 C CYS B 5 -3.388 1.270 -1.300 1.00 0.59 C ATOM 2264 O CYS B 5 -2.169 1.172 -1.365 1.00 0.61 O ATOM 2265 CB CYS B 5 -4.461 -0.976 -0.937 1.00 0.61 C ATOM 2266 SG CYS B 5 -5.108 -0.971 -2.619 1.00 0.60 S ATOM 0 H CYS B 5 -6.254 0.707 -0.405 1.00 0.58 H new ATOM 0 HA CYS B 5 -3.608 0.228 0.561 1.00 0.57 H new ATOM 0 HB2 CYS B 5 -3.537 -1.554 -0.921 1.00 0.61 H new ATOM 0 HB3 CYS B 5 -5.171 -1.493 -0.292 1.00 0.61 H new ATOM 0 HG CYS B 5 -6.001 -0.033 -2.738 1.00 0.60 H new ATOM 2272 N ILE B 6 -4.084 2.140 -2.033 1.00 0.59 N ATOM 2273 CA ILE B 6 -3.420 3.077 -2.916 1.00 0.61 C ATOM 2274 C ILE B 6 -2.607 4.019 -2.036 1.00 0.58 C ATOM 2275 O ILE B 6 -1.442 4.330 -2.332 1.00 0.60 O ATOM 2276 CB ILE B 6 -4.426 3.885 -3.779 1.00 0.60 C ATOM 2277 CG1 ILE B 6 -4.748 3.133 -5.087 1.00 0.61 C ATOM 2278 CG2 ILE B 6 -3.888 5.283 -4.077 1.00 0.62 C ATOM 2279 CD1 ILE B 6 -5.079 4.030 -6.262 1.00 0.53 C ATOM 0 H ILE B 6 -5.102 2.209 -2.028 1.00 0.59 H new ATOM 0 HA ILE B 6 -2.785 2.532 -3.615 1.00 0.61 H new ATOM 0 HB ILE B 6 -5.350 3.993 -3.211 1.00 0.60 H new ATOM 0 HG12 ILE B 6 -3.895 2.509 -5.352 1.00 0.61 H new ATOM 0 HG13 ILE B 6 -5.590 2.464 -4.909 1.00 0.61 H new ATOM 0 HG21 ILE B 6 -4.611 5.829 -4.683 1.00 0.62 H new ATOM 0 HG22 ILE B 6 -3.722 5.816 -3.141 1.00 0.62 H new ATOM 0 HG23 ILE B 6 -2.946 5.202 -4.620 1.00 0.62 H new ATOM 0 HD11 ILE B 6 -5.292 3.418 -7.138 1.00 0.53 H new ATOM 0 HD12 ILE B 6 -5.952 4.636 -6.022 1.00 0.53 H new ATOM 0 HD13 ILE B 6 -4.231 4.682 -6.472 1.00 0.53 H new ATOM 2291 N VAL B 7 -3.233 4.454 -0.937 1.00 0.54 N ATOM 2292 CA VAL B 7 -2.560 5.319 0.010 1.00 0.51 C ATOM 2293 C VAL B 7 -1.330 4.596 0.589 1.00 0.52 C ATOM 2294 O VAL B 7 -0.237 5.168 0.675 1.00 0.57 O ATOM 2295 CB VAL B 7 -3.498 5.818 1.170 1.00 0.48 C ATOM 2296 CG1 VAL B 7 -2.753 6.856 2.007 1.00 0.46 C ATOM 2297 CG2 VAL B 7 -4.808 6.407 0.634 1.00 0.56 C ATOM 0 H VAL B 7 -4.195 4.219 -0.692 1.00 0.54 H new ATOM 0 HA VAL B 7 -2.249 6.209 -0.536 1.00 0.51 H new ATOM 0 HB VAL B 7 -3.762 4.961 1.789 1.00 0.48 H new ATOM 0 HG11 VAL B 7 -3.399 7.205 2.813 1.00 0.46 H new ATOM 0 HG12 VAL B 7 -1.855 6.405 2.431 1.00 0.46 H new ATOM 0 HG13 VAL B 7 -2.472 7.699 1.376 1.00 0.46 H new ATOM 0 HG21 VAL B 7 -5.426 6.739 1.468 1.00 0.56 H new ATOM 0 HG22 VAL B 7 -4.587 7.255 -0.014 1.00 0.56 H new ATOM 0 HG23 VAL B 7 -5.344 5.646 0.066 1.00 0.56 H new ATOM 2307 N THR B 8 -1.493 3.316 0.946 1.00 0.51 N ATOM 2308 CA THR B 8 -0.395 2.531 1.477 1.00 0.52 C ATOM 2309 C THR B 8 0.682 2.386 0.423 1.00 0.58 C ATOM 2310 O THR B 8 1.866 2.531 0.716 1.00 0.62 O ATOM 2311 CB THR B 8 -0.845 1.127 1.919 1.00 0.53 C ATOM 2312 OG1 THR B 8 -2.047 1.192 2.685 1.00 0.58 O ATOM 2313 CG2 THR B 8 0.263 0.442 2.720 1.00 0.63 C ATOM 0 H THR B 8 -2.377 2.812 0.873 1.00 0.51 H new ATOM 0 HA THR B 8 -0.014 3.058 2.352 1.00 0.52 H new ATOM 0 HB THR B 8 -1.047 0.538 1.025 1.00 0.53 H new ATOM 0 HG1 THR B 8 -2.524 0.338 2.619 1.00 0.58 H new ATOM 0 HG21 THR B 8 -0.069 -0.550 3.026 1.00 0.63 H new ATOM 0 HG22 THR B 8 1.156 0.351 2.102 1.00 0.63 H new ATOM 0 HG23 THR B 8 0.493 1.036 3.604 1.00 0.63 H new ATOM 2321 N THR B 9 0.265 2.112 -0.803 1.00 0.63 N ATOM 2322 CA THR B 9 1.208 1.967 -1.893 1.00 0.70 C ATOM 2323 C THR B 9 2.022 3.251 -2.047 1.00 0.73 C ATOM 2324 O THR B 9 3.220 3.220 -2.310 1.00 0.78 O ATOM 2325 CB THR B 9 0.500 1.651 -3.241 1.00 0.75 C ATOM 2326 OG1 THR B 9 -0.329 0.493 -3.103 1.00 0.83 O ATOM 2327 CG2 THR B 9 1.516 1.401 -4.346 1.00 0.71 C ATOM 0 H THR B 9 -0.713 1.987 -1.064 1.00 0.63 H new ATOM 0 HA THR B 9 1.860 1.129 -1.648 1.00 0.70 H new ATOM 0 HB THR B 9 -0.109 2.515 -3.507 1.00 0.75 H new ATOM 0 HG1 THR B 9 -1.160 0.738 -2.644 1.00 0.83 H new ATOM 0 HG21 THR B 9 0.994 1.182 -5.278 1.00 0.71 H new ATOM 0 HG22 THR B 9 2.137 2.288 -4.477 1.00 0.71 H new ATOM 0 HG23 THR B 9 2.146 0.554 -4.076 1.00 0.71 H new ATOM 2335 N LYS B 10 1.364 4.383 -1.852 1.00 0.74 N ATOM 2336 CA LYS B 10 2.018 5.668 -1.964 1.00 0.80 C ATOM 2337 C LYS B 10 2.982 5.884 -0.810 1.00 0.81 C ATOM 2338 O LYS B 10 4.062 6.419 -1.008 1.00 0.87 O ATOM 2339 CB LYS B 10 0.992 6.802 -2.006 1.00 0.82 C ATOM 2340 CG LYS B 10 0.417 7.040 -3.393 1.00 1.07 C ATOM 2341 CD LYS B 10 1.082 8.221 -4.110 1.00 1.51 C ATOM 2342 CE LYS B 10 2.546 7.939 -4.438 1.00 1.88 C ATOM 2343 NZ LYS B 10 3.481 8.677 -3.544 1.00 2.03 N ATOM 0 H LYS B 10 0.373 4.433 -1.615 1.00 0.74 H new ATOM 0 HA LYS B 10 2.581 5.674 -2.897 1.00 0.80 H new ATOM 0 HB2 LYS B 10 0.179 6.573 -1.317 1.00 0.82 H new ATOM 0 HB3 LYS B 10 1.461 7.720 -1.652 1.00 0.82 H new ATOM 0 HG2 LYS B 10 0.540 6.139 -3.993 1.00 1.07 H new ATOM 0 HG3 LYS B 10 -0.654 7.225 -3.312 1.00 1.07 H new ATOM 0 HD2 LYS B 10 0.540 8.439 -5.030 1.00 1.51 H new ATOM 0 HD3 LYS B 10 1.016 9.110 -3.483 1.00 1.51 H new ATOM 0 HE2 LYS B 10 2.735 6.869 -4.353 1.00 1.88 H new ATOM 0 HE3 LYS B 10 2.743 8.216 -5.474 1.00 1.88 H new ATOM 0 HZ1 LYS B 10 4.026 9.365 -4.103 1.00 2.03 H new ATOM 0 HZ2 LYS B 10 2.938 9.178 -2.812 1.00 2.03 H new ATOM 0 HZ3 LYS B 10 4.133 8.004 -3.092 1.00 2.03 H new ATOM 2357 N LYS B 11 2.569 5.492 0.389 1.00 0.77 N ATOM 2358 CA LYS B 11 3.410 5.626 1.567 1.00 0.79 C ATOM 2359 C LYS B 11 4.620 4.712 1.418 1.00 0.82 C ATOM 2360 O LYS B 11 5.752 5.131 1.643 1.00 0.89 O ATOM 2361 CB LYS B 11 2.601 5.287 2.839 1.00 0.74 C ATOM 2362 CG LYS B 11 3.201 5.800 4.142 1.00 0.73 C ATOM 2363 CD LYS B 11 4.205 4.831 4.722 1.00 0.86 C ATOM 2364 CE LYS B 11 5.268 5.572 5.516 1.00 1.02 C ATOM 2365 NZ LYS B 11 6.090 4.646 6.333 1.00 1.32 N ATOM 0 H LYS B 11 1.654 5.078 0.569 1.00 0.77 H new ATOM 0 HA LYS B 11 3.758 6.655 1.663 1.00 0.79 H new ATOM 0 HB2 LYS B 11 1.597 5.698 2.733 1.00 0.74 H new ATOM 0 HB3 LYS B 11 2.497 4.204 2.907 1.00 0.74 H new ATOM 0 HG2 LYS B 11 3.685 6.761 3.965 1.00 0.73 H new ATOM 0 HG3 LYS B 11 2.404 5.973 4.865 1.00 0.73 H new ATOM 0 HD2 LYS B 11 3.696 4.114 5.366 1.00 0.86 H new ATOM 0 HD3 LYS B 11 4.674 4.261 3.920 1.00 0.86 H new ATOM 0 HE2 LYS B 11 5.913 6.124 4.833 1.00 1.02 H new ATOM 0 HE3 LYS B 11 4.791 6.305 6.167 1.00 1.02 H new ATOM 0 HZ1 LYS B 11 6.957 5.131 6.641 1.00 1.32 H new ATOM 0 HZ2 LYS B 11 5.547 4.344 7.167 1.00 1.32 H new ATOM 0 HZ3 LYS B 11 6.343 3.813 5.764 1.00 1.32 H new ATOM 2379 N TYR B 12 4.373 3.486 0.990 1.00 0.78 N ATOM 2380 CA TYR B 12 5.430 2.511 0.784 1.00 0.81 C ATOM 2381 C TYR B 12 6.387 2.977 -0.319 1.00 0.95 C ATOM 2382 O TYR B 12 7.607 2.934 -0.164 1.00 1.01 O ATOM 2383 CB TYR B 12 4.782 1.169 0.415 1.00 0.78 C ATOM 2384 CG TYR B 12 5.738 0.018 0.258 1.00 0.80 C ATOM 2385 CD1 TYR B 12 6.326 -0.597 1.367 1.00 0.64 C ATOM 2386 CD2 TYR B 12 6.033 -0.474 -1.007 1.00 1.14 C ATOM 2387 CE1 TYR B 12 7.182 -1.664 1.208 1.00 0.78 C ATOM 2388 CE2 TYR B 12 6.886 -1.539 -1.172 1.00 1.21 C ATOM 2389 CZ TYR B 12 7.456 -2.133 -0.065 1.00 1.01 C ATOM 2390 OH TYR B 12 8.311 -3.184 -0.229 1.00 1.17 O ATOM 0 H TYR B 12 3.438 3.139 0.776 1.00 0.78 H new ATOM 0 HA TYR B 12 6.016 2.398 1.696 1.00 0.81 H new ATOM 0 HB2 TYR B 12 4.053 0.912 1.183 1.00 0.78 H new ATOM 0 HB3 TYR B 12 4.232 1.294 -0.518 1.00 0.78 H new ATOM 0 HD1 TYR B 12 6.107 -0.231 2.359 1.00 0.64 H new ATOM 0 HD2 TYR B 12 5.585 -0.012 -1.875 1.00 1.14 H new ATOM 0 HE1 TYR B 12 7.636 -2.131 2.070 1.00 0.78 H new ATOM 0 HE2 TYR B 12 7.109 -1.909 -2.162 1.00 1.21 H new ATOM 0 HH TYR B 12 9.228 -2.891 -0.049 1.00 1.17 H new ATOM 2400 N ARG B 13 5.808 3.485 -1.417 1.00 1.05 N ATOM 2401 CA ARG B 13 6.584 3.962 -2.562 1.00 1.20 C ATOM 2402 C ARG B 13 7.286 5.277 -2.244 1.00 1.27 C ATOM 2403 O ARG B 13 8.245 5.656 -2.913 1.00 1.46 O ATOM 2404 CB ARG B 13 5.681 4.127 -3.791 1.00 1.27 C ATOM 2405 CG ARG B 13 6.369 3.721 -5.081 1.00 1.21 C ATOM 2406 CD ARG B 13 5.434 3.769 -6.283 1.00 1.62 C ATOM 2407 NE ARG B 13 5.204 5.122 -6.811 1.00 2.12 N ATOM 2408 CZ ARG B 13 6.141 5.938 -7.320 1.00 2.44 C ATOM 2409 NH1 ARG B 13 7.431 5.625 -7.261 1.00 2.69 N ATOM 2410 NH2 ARG B 13 5.764 7.073 -7.907 1.00 3.10 N ATOM 0 H ARG B 13 4.799 3.575 -1.532 1.00 1.05 H new ATOM 0 HA ARG B 13 7.347 3.215 -2.782 1.00 1.20 H new ATOM 0 HB2 ARG B 13 4.781 3.526 -3.659 1.00 1.27 H new ATOM 0 HB3 ARG B 13 5.362 5.167 -3.866 1.00 1.27 H new ATOM 0 HG2 ARG B 13 7.218 4.381 -5.259 1.00 1.21 H new ATOM 0 HG3 ARG B 13 6.767 2.712 -4.975 1.00 1.21 H new ATOM 0 HD2 ARG B 13 5.847 3.146 -7.076 1.00 1.62 H new ATOM 0 HD3 ARG B 13 4.476 3.332 -6.002 1.00 1.62 H new ATOM 0 HE ARG B 13 4.246 5.472 -6.789 1.00 2.12 H new ATOM 0 HH11 ARG B 13 7.724 4.752 -6.823 1.00 2.69 H new ATOM 0 HH12 ARG B 13 8.128 6.258 -7.653 1.00 2.69 H new ATOM 0 HH21 ARG B 13 4.774 7.313 -7.965 1.00 3.10 H new ATOM 0 HH22 ARG B 13 6.465 7.702 -8.298 1.00 3.10 H new ATOM 2424 N TYR B 14 6.795 5.972 -1.234 1.00 1.21 N ATOM 2425 CA TYR B 14 7.383 7.237 -0.824 1.00 1.29 C ATOM 2426 C TYR B 14 8.434 7.016 0.245 1.00 1.32 C ATOM 2427 O TYR B 14 9.231 7.903 0.548 1.00 1.47 O ATOM 2428 CB TYR B 14 6.313 8.191 -0.309 1.00 1.24 C ATOM 2429 CG TYR B 14 6.796 9.618 -0.134 1.00 1.21 C ATOM 2430 CD1 TYR B 14 7.095 10.413 -1.234 1.00 1.23 C ATOM 2431 CD2 TYR B 14 6.947 10.170 1.136 1.00 1.26 C ATOM 2432 CE1 TYR B 14 7.527 11.717 -1.075 1.00 1.26 C ATOM 2433 CE2 TYR B 14 7.382 11.467 1.299 1.00 1.30 C ATOM 2434 CZ TYR B 14 7.670 12.242 0.191 1.00 1.28 C ATOM 2435 OH TYR B 14 8.092 13.541 0.359 1.00 1.38 O ATOM 0 H TYR B 14 5.989 5.682 -0.681 1.00 1.21 H new ATOM 0 HA TYR B 14 7.857 7.684 -1.698 1.00 1.29 H new ATOM 0 HB2 TYR B 14 5.471 8.185 -1.001 1.00 1.24 H new ATOM 0 HB3 TYR B 14 5.942 7.823 0.648 1.00 1.24 H new ATOM 0 HD1 TYR B 14 6.988 10.006 -2.229 1.00 1.23 H new ATOM 0 HD2 TYR B 14 6.720 9.572 2.006 1.00 1.26 H new ATOM 0 HE1 TYR B 14 7.752 12.322 -1.941 1.00 1.26 H new ATOM 0 HE2 TYR B 14 7.498 11.878 2.291 1.00 1.30 H new ATOM 0 HH TYR B 14 8.137 13.749 1.316 1.00 1.38 H new ATOM 2445 N GLN B 15 8.423 5.824 0.814 1.00 1.21 N ATOM 2446 CA GLN B 15 9.365 5.471 1.848 1.00 1.23 C ATOM 2447 C GLN B 15 10.735 5.177 1.252 1.00 1.37 C ATOM 2448 O GLN B 15 11.748 5.273 1.939 1.00 1.37 O ATOM 2449 CB GLN B 15 8.855 4.277 2.642 1.00 1.12 C ATOM 2450 CG GLN B 15 9.368 4.267 4.066 1.00 1.04 C ATOM 2451 CD GLN B 15 9.406 5.654 4.686 1.00 1.16 C ATOM 2452 OE1 GLN B 15 8.441 6.099 5.311 1.00 1.25 O ATOM 2453 NE2 GLN B 15 10.523 6.343 4.510 1.00 1.41 N ATOM 0 H GLN B 15 7.765 5.083 0.572 1.00 1.21 H new ATOM 0 HA GLN B 15 9.467 6.318 2.526 1.00 1.23 H new ATOM 0 HB2 GLN B 15 7.765 4.290 2.652 1.00 1.12 H new ATOM 0 HB3 GLN B 15 9.158 3.357 2.143 1.00 1.12 H new ATOM 0 HG2 GLN B 15 8.733 3.620 4.672 1.00 1.04 H new ATOM 0 HG3 GLN B 15 10.370 3.838 4.084 1.00 1.04 H new ATOM 0 HE21 GLN B 15 11.297 5.935 3.986 1.00 1.41 H new ATOM 0 HE22 GLN B 15 10.610 7.282 4.899 1.00 1.41 H new ATOM 2462 N ASP B 16 10.761 4.806 -0.024 1.00 1.59 N ATOM 2463 CA ASP B 16 12.026 4.540 -0.709 1.00 1.76 C ATOM 2464 C ASP B 16 12.856 5.833 -0.785 1.00 1.96 C ATOM 2465 O ASP B 16 14.088 5.802 -0.871 1.00 2.05 O ATOM 2466 CB ASP B 16 11.764 3.948 -2.101 1.00 2.09 C ATOM 2467 CG ASP B 16 12.921 4.134 -3.071 1.00 2.24 C ATOM 2468 OD1 ASP B 16 13.859 3.305 -3.066 1.00 2.65 O ATOM 2469 OD2 ASP B 16 12.895 5.110 -3.847 1.00 2.32 O ATOM 0 H ASP B 16 9.930 4.683 -0.602 1.00 1.59 H new ATOM 0 HA ASP B 16 12.599 3.804 -0.145 1.00 1.76 H new ATOM 0 HB2 ASP B 16 11.554 2.883 -2.000 1.00 2.09 H new ATOM 0 HB3 ASP B 16 10.871 4.411 -2.521 1.00 2.09 H new ATOM 2474 N GLU B 17 12.159 6.976 -0.713 1.00 2.16 N ATOM 2475 CA GLU B 17 12.795 8.293 -0.733 1.00 2.48 C ATOM 2476 C GLU B 17 13.476 8.559 0.605 1.00 2.44 C ATOM 2477 O GLU B 17 12.986 9.329 1.442 1.00 2.36 O ATOM 2478 CB GLU B 17 11.760 9.395 -1.020 1.00 2.75 C ATOM 2479 CG GLU B 17 12.339 10.804 -1.069 1.00 3.19 C ATOM 2480 CD GLU B 17 13.189 11.020 -2.299 1.00 3.49 C ATOM 2481 OE1 GLU B 17 14.247 10.369 -2.419 1.00 3.62 O ATOM 2482 OE2 GLU B 17 12.788 11.825 -3.161 1.00 4.01 O ATOM 0 H GLU B 17 11.142 7.010 -0.640 1.00 2.16 H new ATOM 0 HA GLU B 17 13.541 8.304 -1.528 1.00 2.48 H new ATOM 0 HB2 GLU B 17 11.274 9.181 -1.972 1.00 2.75 H new ATOM 0 HB3 GLU B 17 10.987 9.359 -0.253 1.00 2.75 H new ATOM 0 HG2 GLU B 17 11.527 11.531 -1.056 1.00 3.19 H new ATOM 0 HG3 GLU B 17 12.939 10.981 -0.177 1.00 3.19 H new ATOM 2489 N ASP B 18 14.577 7.876 0.829 1.00 2.66 N ATOM 2490 CA ASP B 18 15.333 8.041 2.061 1.00 2.76 C ATOM 2491 C ASP B 18 16.816 8.078 1.760 1.00 3.15 C ATOM 2492 O ASP B 18 17.559 8.896 2.304 1.00 3.44 O ATOM 2493 CB ASP B 18 14.997 6.921 3.032 1.00 2.70 C ATOM 2494 CG ASP B 18 15.320 7.299 4.451 1.00 2.54 C ATOM 2495 OD1 ASP B 18 15.026 8.449 4.845 1.00 2.74 O ATOM 2496 OD2 ASP B 18 15.855 6.450 5.188 1.00 2.45 O ATOM 0 H ASP B 18 14.973 7.199 0.176 1.00 2.66 H new ATOM 0 HA ASP B 18 15.059 8.987 2.527 1.00 2.76 H new ATOM 0 HB2 ASP B 18 13.938 6.676 2.953 1.00 2.70 H new ATOM 0 HB3 ASP B 18 15.553 6.024 2.759 1.00 2.70 H new ATOM 2501 N THR B 19 17.234 7.174 0.891 1.00 3.25 N ATOM 2502 CA THR B 19 18.617 7.109 0.464 1.00 3.64 C ATOM 2503 C THR B 19 18.743 7.758 -0.912 1.00 4.26 C ATOM 2504 O THR B 19 18.710 7.030 -1.918 1.00 4.48 O ATOM 2505 CB THR B 19 19.126 5.653 0.417 1.00 3.58 C ATOM 2506 OG1 THR B 19 18.872 5.013 1.677 1.00 3.24 O ATOM 2507 CG2 THR B 19 20.616 5.609 0.104 1.00 3.63 C ATOM 0 H THR B 19 16.629 6.471 0.466 1.00 3.25 H new ATOM 0 HA THR B 19 19.232 7.646 1.186 1.00 3.64 H new ATOM 0 HB THR B 19 18.595 5.125 -0.375 1.00 3.58 H new ATOM 0 HG1 THR B 19 19.194 4.088 1.645 1.00 3.24 H new ATOM 0 HG21 THR B 19 20.951 4.572 0.076 1.00 3.63 H new ATOM 0 HG22 THR B 19 20.798 6.075 -0.864 1.00 3.63 H new ATOM 0 HG23 THR B 19 21.166 6.148 0.876 1.00 3.63 H new TER 2515 THR B 19 HETATM 2516 CA CA A 201 -17.481 8.184 -10.050 1.00 0.41 CA HETATM 2517 CA CA A 202 -19.109 7.415 3.154 1.00 0.48 CA HETATM 2518 CA CA A 203 2.606 -13.600 -4.040 1.00 0.50 CA HETATM 2519 CA CA A 204 12.770 -10.469 1.956 1.00 0.73 CA