USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 910 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 159:sc=-0.00236 (180deg=-0.0164) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -177:sc= 0.0106 (180deg=9.4e-05) USER MOD Single : A 13 SER OG : rot 180:sc= -0.158 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 6:sc= -3.12! USER MOD Single : A 19 TYR OH : rot 180:sc= -1.63 USER MOD Single : A 21 SER OG : rot -25:sc= -0.574 USER MOD Single : A 22 SER OG : rot 72:sc= 0.805 USER MOD Single : A 23 LYS NZ :NH3+ -126:sc= -0.351 (180deg=-2.75!) USER MOD Single : A 26 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.075) USER MOD Single : A 27 THR OG1 : rot 77:sc= -4.73! USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= -0.569 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0247 USER MOD Single : A 45 MET CE :methyl 156:sc= -6.9! (180deg=-7.32!) USER MOD Single : A 46 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.446) USER MOD Single : A 50 GLN :FLIP amide:sc= -2.9 F(o=-5.9!,f=-2.9) USER MOD Single : A 52 GLN : amide:sc= -4.61! C(o=-4.6!,f=-4.8!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -106:sc= -2.33! (180deg=-4.82!) USER MOD Single : A 67 ASN :FLIP amide:sc= -1.22 F(o=-3.4!,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -178:sc= 0.466 (180deg=0.463) USER MOD Single : A 75 GLN :FLIP amide:sc= -3.94! C(o=-6.8!,f=-3.9!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN :FLIP amide:sc= -0.0876 F(o=-0.77,f=-0.088) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= -6.71! C(o=-7.7!,f=-6.7!) USER MOD Single : A 95 LYS NZ :NH3+ 148:sc= -0.135 (180deg=-1.28!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.065) USER MOD Single : A 99 SER OG : rot -55:sc= 0.0243! USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.0418 X(o=-0.042,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -41:sc= 0.168 USER MOD Single : A 109 ASN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.646 -16.830 -32.800 1.00 64.04 N ATOM 2 CA GLY A 1 -16.644 -16.792 -31.694 1.00 70.51 C ATOM 3 C GLY A 1 -15.914 -16.729 -30.353 1.00 20.01 C ATOM 4 O GLY A 1 -15.911 -15.713 -29.684 1.00 73.04 O ATOM 0 H1 GLY A 1 -16.141 -16.873 -33.713 1.00 64.04 H new ATOM 0 H2 GLY A 1 -15.057 -15.974 -32.766 1.00 64.04 H new ATOM 0 H3 GLY A 1 -15.042 -17.670 -32.694 1.00 64.04 H new ATOM 0 HA2 GLY A 1 -17.295 -15.925 -31.807 1.00 70.51 H new ATOM 0 HA3 GLY A 1 -17.280 -17.676 -31.733 1.00 70.51 H new ATOM 8 N SER A 2 -15.296 -17.805 -29.952 1.00 21.54 N ATOM 9 CA SER A 2 -14.566 -17.807 -28.650 1.00 23.34 C ATOM 10 C SER A 2 -13.070 -18.037 -28.884 1.00 24.21 C ATOM 11 O SER A 2 -12.665 -18.579 -29.893 1.00 44.11 O ATOM 12 CB SER A 2 -15.169 -18.967 -27.860 1.00 71.00 C ATOM 13 OG SER A 2 -14.434 -19.145 -26.655 1.00 35.13 O ATOM 0 H SER A 2 -15.264 -18.684 -30.469 1.00 21.54 H new ATOM 0 HA SER A 2 -14.663 -16.859 -28.120 1.00 23.34 H new ATOM 0 HB2 SER A 2 -16.216 -18.764 -27.635 1.00 71.00 H new ATOM 0 HB3 SER A 2 -15.142 -19.880 -28.454 1.00 71.00 H new ATOM 0 HG SER A 2 -14.819 -19.887 -26.144 1.00 35.13 H new ATOM 19 N MET A 3 -12.248 -17.629 -27.954 1.00 35.34 N ATOM 20 CA MET A 3 -10.780 -17.825 -28.120 1.00 4.22 C ATOM 21 C MET A 3 -10.076 -17.718 -26.764 1.00 35.33 C ATOM 22 O MET A 3 -9.997 -16.650 -26.190 1.00 20.33 O ATOM 23 CB MET A 3 -10.332 -16.694 -29.045 1.00 34.13 C ATOM 24 CG MET A 3 -10.962 -15.378 -28.585 1.00 44.00 C ATOM 25 SD MET A 3 -12.371 -14.982 -29.650 1.00 50.22 S ATOM 26 CE MET A 3 -13.038 -13.630 -28.648 1.00 73.00 C ATOM 0 H MET A 3 -12.530 -17.169 -27.088 1.00 35.34 H new ATOM 0 HA MET A 3 -10.538 -18.806 -28.528 1.00 4.22 H new ATOM 0 HB2 MET A 3 -9.245 -16.612 -29.036 1.00 34.13 H new ATOM 0 HB3 MET A 3 -10.627 -16.911 -30.072 1.00 34.13 H new ATOM 0 HG2 MET A 3 -11.288 -15.461 -27.548 1.00 44.00 H new ATOM 0 HG3 MET A 3 -10.225 -14.576 -28.625 1.00 44.00 H new ATOM 0 HE1 MET A 3 -13.931 -13.228 -29.127 1.00 73.00 H new ATOM 0 HE2 MET A 3 -13.295 -14.004 -27.657 1.00 73.00 H new ATOM 0 HE3 MET A 3 -12.290 -12.843 -28.555 1.00 73.00 H new ATOM 36 N PRO A 4 -9.594 -18.835 -26.296 1.00 53.22 N ATOM 37 CA PRO A 4 -8.890 -18.870 -24.993 1.00 75.14 C ATOM 38 C PRO A 4 -7.502 -18.227 -25.115 1.00 23.21 C ATOM 39 O PRO A 4 -7.246 -17.454 -26.016 1.00 4.10 O ATOM 40 CB PRO A 4 -8.775 -20.361 -24.688 1.00 14.21 C ATOM 41 CG PRO A 4 -8.835 -21.036 -26.022 1.00 5.05 C ATOM 42 CD PRO A 4 -9.653 -20.156 -26.931 1.00 44.13 C ATOM 0 HA PRO A 4 -9.411 -18.319 -24.210 1.00 75.14 H new ATOM 0 HB2 PRO A 4 -7.841 -20.587 -24.173 1.00 14.21 H new ATOM 0 HB3 PRO A 4 -9.586 -20.695 -24.040 1.00 14.21 H new ATOM 0 HG2 PRO A 4 -7.833 -21.180 -26.426 1.00 5.05 H new ATOM 0 HG3 PRO A 4 -9.288 -22.024 -25.933 1.00 5.05 H new ATOM 0 HD2 PRO A 4 -9.241 -20.132 -27.940 1.00 44.13 H new ATOM 0 HD3 PRO A 4 -10.679 -20.513 -27.014 1.00 44.13 H new ATOM 50 N LYS A 5 -6.610 -18.534 -24.215 1.00 73.44 N ATOM 51 CA LYS A 5 -5.246 -17.933 -24.281 1.00 41.01 C ATOM 52 C LYS A 5 -4.174 -19.026 -24.181 1.00 22.30 C ATOM 53 O LYS A 5 -4.180 -19.815 -23.257 1.00 42.10 O ATOM 54 CB LYS A 5 -5.172 -16.997 -23.074 1.00 0.32 C ATOM 55 CG LYS A 5 -4.208 -15.848 -23.375 1.00 53.15 C ATOM 56 CD LYS A 5 -4.331 -14.782 -22.285 1.00 55.32 C ATOM 57 CE LYS A 5 -4.035 -15.408 -20.921 1.00 10.00 C ATOM 58 NZ LYS A 5 -5.348 -15.435 -20.216 1.00 31.41 N ATOM 0 H LYS A 5 -6.765 -19.175 -23.437 1.00 73.44 H new ATOM 0 HA LYS A 5 -5.071 -17.407 -25.220 1.00 41.01 H new ATOM 0 HB2 LYS A 5 -6.162 -16.604 -22.845 1.00 0.32 H new ATOM 0 HB3 LYS A 5 -4.836 -17.547 -22.195 1.00 0.32 H new ATOM 0 HG2 LYS A 5 -3.185 -16.220 -23.421 1.00 53.15 H new ATOM 0 HG3 LYS A 5 -4.434 -15.415 -24.349 1.00 53.15 H new ATOM 0 HD2 LYS A 5 -3.636 -13.965 -22.480 1.00 55.32 H new ATOM 0 HD3 LYS A 5 -5.334 -14.355 -22.291 1.00 55.32 H new ATOM 0 HE2 LYS A 5 -3.624 -16.412 -21.028 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -3.302 -14.821 -20.368 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -5.319 -16.144 -19.455 1.00 31.41 H new ATOM 0 HZ2 LYS A 5 -5.543 -14.498 -19.809 1.00 31.41 H new ATOM 0 HZ3 LYS A 5 -6.099 -15.682 -20.891 1.00 31.41 H new ATOM 72 N PRO A 6 -3.288 -19.032 -25.142 1.00 5.34 N ATOM 73 CA PRO A 6 -2.196 -20.038 -25.167 1.00 50.54 C ATOM 74 C PRO A 6 -1.132 -19.703 -24.114 1.00 74.15 C ATOM 75 O PRO A 6 -1.218 -20.119 -22.977 1.00 1.32 O ATOM 76 CB PRO A 6 -1.629 -19.915 -26.578 1.00 11.43 C ATOM 77 CG PRO A 6 -1.963 -18.523 -27.013 1.00 23.44 C ATOM 78 CD PRO A 6 -3.219 -18.116 -26.286 1.00 44.03 C ATOM 0 HA PRO A 6 -2.537 -21.048 -24.938 1.00 50.54 H new ATOM 0 HB2 PRO A 6 -0.552 -20.083 -26.586 1.00 11.43 H new ATOM 0 HB3 PRO A 6 -2.072 -20.654 -27.246 1.00 11.43 H new ATOM 0 HG2 PRO A 6 -1.146 -17.841 -26.780 1.00 23.44 H new ATOM 0 HG3 PRO A 6 -2.113 -18.483 -28.092 1.00 23.44 H new ATOM 0 HD2 PRO A 6 -3.172 -17.077 -25.961 1.00 44.03 H new ATOM 0 HD3 PRO A 6 -4.097 -18.211 -26.925 1.00 44.03 H new ATOM 86 N GLY A 7 -0.126 -18.957 -24.488 1.00 20.34 N ATOM 87 CA GLY A 7 0.940 -18.599 -23.511 1.00 40.34 C ATOM 88 C GLY A 7 2.104 -19.586 -23.641 1.00 75.32 C ATOM 89 O GLY A 7 2.172 -20.358 -24.577 1.00 3.45 O ATOM 0 H GLY A 7 0.002 -18.581 -25.428 1.00 20.34 H new ATOM 0 HA2 GLY A 7 1.289 -17.583 -23.693 1.00 40.34 H new ATOM 0 HA3 GLY A 7 0.541 -18.622 -22.497 1.00 40.34 H new ATOM 93 N ILE A 8 3.018 -19.568 -22.709 1.00 31.22 N ATOM 94 CA ILE A 8 4.173 -20.508 -22.783 1.00 71.13 C ATOM 95 C ILE A 8 4.648 -20.878 -21.376 1.00 30.31 C ATOM 96 O ILE A 8 5.547 -20.265 -20.834 1.00 11.42 O ATOM 97 CB ILE A 8 5.263 -19.741 -23.531 1.00 21.23 C ATOM 98 CG1 ILE A 8 4.671 -19.115 -24.796 1.00 3.01 C ATOM 99 CG2 ILE A 8 6.390 -20.700 -23.921 1.00 32.11 C ATOM 100 CD1 ILE A 8 5.791 -18.480 -25.621 1.00 21.53 C ATOM 0 H ILE A 8 3.015 -18.945 -21.902 1.00 31.22 H new ATOM 0 HA ILE A 8 3.913 -21.440 -23.285 1.00 71.13 H new ATOM 0 HB ILE A 8 5.659 -18.957 -22.886 1.00 21.23 H new ATOM 0 HG12 ILE A 8 4.157 -19.875 -25.385 1.00 3.01 H new ATOM 0 HG13 ILE A 8 3.929 -18.362 -24.529 1.00 3.01 H new ATOM 0 HG21 ILE A 8 7.166 -20.151 -24.454 1.00 32.11 H new ATOM 0 HG22 ILE A 8 6.814 -21.148 -23.022 1.00 32.11 H new ATOM 0 HG23 ILE A 8 5.993 -21.485 -24.565 1.00 32.11 H new ATOM 0 HD11 ILE A 8 5.371 -18.034 -26.522 1.00 21.53 H new ATOM 0 HD12 ILE A 8 6.285 -17.708 -25.031 1.00 21.53 H new ATOM 0 HD13 ILE A 8 6.516 -19.245 -25.899 1.00 21.53 H new ATOM 112 N LEU A 9 4.054 -21.875 -20.782 1.00 43.33 N ATOM 113 CA LEU A 9 4.473 -22.283 -19.411 1.00 74.24 C ATOM 114 C LEU A 9 5.129 -23.666 -19.452 1.00 71.02 C ATOM 115 O LEU A 9 4.547 -24.627 -19.914 1.00 61.41 O ATOM 116 CB LEU A 9 3.183 -22.323 -18.593 1.00 71.25 C ATOM 117 CG LEU A 9 3.069 -21.048 -17.755 1.00 21.00 C ATOM 118 CD1 LEU A 9 4.178 -21.025 -16.703 1.00 13.21 C ATOM 119 CD2 LEU A 9 3.206 -19.826 -18.664 1.00 3.43 C ATOM 0 H LEU A 9 3.296 -22.425 -21.186 1.00 43.33 H new ATOM 0 HA LEU A 9 5.202 -21.597 -18.981 1.00 74.24 H new ATOM 0 HB2 LEU A 9 2.322 -22.413 -19.256 1.00 71.25 H new ATOM 0 HB3 LEU A 9 3.179 -23.199 -17.944 1.00 71.25 H new ATOM 0 HG LEU A 9 2.098 -21.027 -17.260 1.00 21.00 H new ATOM 0 HD11 LEU A 9 4.095 -20.116 -16.107 1.00 13.21 H new ATOM 0 HD12 LEU A 9 4.081 -21.895 -16.053 1.00 13.21 H new ATOM 0 HD13 LEU A 9 5.149 -21.047 -17.198 1.00 13.21 H new ATOM 0 HD21 LEU A 9 3.125 -18.918 -18.067 1.00 3.43 H new ATOM 0 HD22 LEU A 9 4.176 -19.849 -19.160 1.00 3.43 H new ATOM 0 HD23 LEU A 9 2.415 -19.840 -19.414 1.00 3.43 H new ATOM 131 N LYS A 10 6.339 -23.773 -18.973 1.00 33.53 N ATOM 132 CA LYS A 10 7.031 -25.091 -18.987 1.00 13.33 C ATOM 133 C LYS A 10 7.722 -25.337 -17.642 1.00 5.30 C ATOM 134 O LYS A 10 8.926 -25.462 -17.566 1.00 73.23 O ATOM 135 CB LYS A 10 8.066 -24.980 -20.109 1.00 53.14 C ATOM 136 CG LYS A 10 8.279 -26.354 -20.747 1.00 73.04 C ATOM 137 CD LYS A 10 9.711 -26.455 -21.276 1.00 53.34 C ATOM 138 CE LYS A 10 9.713 -27.217 -22.603 1.00 51.51 C ATOM 139 NZ LYS A 10 9.855 -28.649 -22.224 1.00 63.41 N ATOM 0 H LYS A 10 6.877 -23.004 -18.573 1.00 33.53 H new ATOM 0 HA LYS A 10 6.342 -25.920 -19.147 1.00 13.33 H new ATOM 0 HB2 LYS A 10 7.727 -24.267 -20.861 1.00 53.14 H new ATOM 0 HB3 LYS A 10 9.008 -24.602 -19.712 1.00 53.14 H new ATOM 0 HG2 LYS A 10 8.095 -27.139 -20.014 1.00 73.04 H new ATOM 0 HG3 LYS A 10 7.568 -26.503 -21.560 1.00 73.04 H new ATOM 0 HD2 LYS A 10 10.129 -25.458 -21.416 1.00 53.34 H new ATOM 0 HD3 LYS A 10 10.343 -26.966 -20.550 1.00 53.34 H new ATOM 0 HE2 LYS A 10 8.791 -27.045 -23.158 1.00 51.51 H new ATOM 0 HE3 LYS A 10 10.535 -26.894 -23.242 1.00 51.51 H new ATOM 0 HZ1 LYS A 10 9.864 -29.236 -23.082 1.00 63.41 H new ATOM 0 HZ2 LYS A 10 10.745 -28.784 -21.703 1.00 63.41 H new ATOM 0 HZ3 LYS A 10 9.055 -28.930 -21.622 1.00 63.41 H new ATOM 153 N SER A 11 6.964 -25.408 -16.581 1.00 13.33 N ATOM 154 CA SER A 11 7.578 -25.645 -15.242 1.00 50.23 C ATOM 155 C SER A 11 6.488 -25.742 -14.173 1.00 13.11 C ATOM 156 O SER A 11 5.385 -26.171 -14.437 1.00 61.43 O ATOM 157 CB SER A 11 8.464 -24.426 -14.992 1.00 62.13 C ATOM 158 OG SER A 11 7.649 -23.262 -14.901 1.00 51.53 O ATOM 0 H SER A 11 5.948 -25.312 -16.583 1.00 13.33 H new ATOM 0 HA SER A 11 8.145 -26.575 -15.206 1.00 50.23 H new ATOM 0 HB2 SER A 11 9.033 -24.558 -14.072 1.00 62.13 H new ATOM 0 HB3 SER A 11 9.187 -24.316 -15.800 1.00 62.13 H new ATOM 0 HG SER A 11 8.215 -22.478 -14.739 1.00 51.53 H new ATOM 164 N LYS A 12 6.795 -25.344 -12.965 1.00 43.12 N ATOM 165 CA LYS A 12 5.784 -25.406 -11.866 1.00 42.52 C ATOM 166 C LYS A 12 5.489 -26.866 -11.490 1.00 43.24 C ATOM 167 O LYS A 12 5.484 -27.746 -12.329 1.00 12.52 O ATOM 168 CB LYS A 12 4.542 -24.678 -12.423 1.00 13.35 C ATOM 169 CG LYS A 12 3.441 -25.668 -12.843 1.00 64.11 C ATOM 170 CD LYS A 12 2.700 -25.115 -14.061 1.00 2.04 C ATOM 171 CE LYS A 12 1.207 -25.428 -13.937 1.00 60.53 C ATOM 172 NZ LYS A 12 0.525 -24.316 -14.654 1.00 22.41 N ATOM 0 H LYS A 12 7.706 -24.977 -12.691 1.00 43.12 H new ATOM 0 HA LYS A 12 6.130 -24.934 -10.946 1.00 42.52 H new ATOM 0 HB2 LYS A 12 4.150 -23.997 -11.667 1.00 13.35 H new ATOM 0 HB3 LYS A 12 4.831 -24.070 -13.280 1.00 13.35 H new ATOM 0 HG2 LYS A 12 3.879 -26.638 -13.079 1.00 64.11 H new ATOM 0 HG3 LYS A 12 2.744 -25.825 -12.020 1.00 64.11 H new ATOM 0 HD2 LYS A 12 2.852 -24.038 -14.134 1.00 2.04 H new ATOM 0 HD3 LYS A 12 3.100 -25.556 -14.974 1.00 2.04 H new ATOM 0 HE2 LYS A 12 0.967 -26.393 -14.383 1.00 60.53 H new ATOM 0 HE3 LYS A 12 0.898 -25.474 -12.893 1.00 60.53 H new ATOM 0 HZ1 LYS A 12 -0.505 -24.430 -14.571 1.00 22.41 H new ATOM 0 HZ2 LYS A 12 0.808 -23.407 -14.235 1.00 22.41 H new ATOM 0 HZ3 LYS A 12 0.795 -24.333 -15.658 1.00 22.41 H new ATOM 186 N SER A 13 5.246 -27.129 -10.233 1.00 30.13 N ATOM 187 CA SER A 13 4.955 -28.530 -9.807 1.00 61.04 C ATOM 188 C SER A 13 4.560 -28.563 -8.327 1.00 14.10 C ATOM 189 O SER A 13 5.385 -28.394 -7.450 1.00 50.13 O ATOM 190 CB SER A 13 6.261 -29.290 -10.028 1.00 13.22 C ATOM 191 OG SER A 13 7.350 -28.379 -9.965 1.00 53.20 O ATOM 0 H SER A 13 5.236 -26.436 -9.484 1.00 30.13 H new ATOM 0 HA SER A 13 4.128 -28.968 -10.366 1.00 61.04 H new ATOM 0 HB2 SER A 13 6.376 -30.066 -9.271 1.00 13.22 H new ATOM 0 HB3 SER A 13 6.245 -29.790 -10.997 1.00 13.22 H new ATOM 0 HG SER A 13 8.190 -28.863 -10.105 1.00 53.20 H new ATOM 197 N MET A 14 3.303 -28.781 -8.043 1.00 13.42 N ATOM 198 CA MET A 14 2.855 -28.827 -6.620 1.00 52.10 C ATOM 199 C MET A 14 1.327 -28.873 -6.553 1.00 61.35 C ATOM 200 O MET A 14 0.658 -29.061 -7.550 1.00 1.12 O ATOM 201 CB MET A 14 3.385 -27.538 -5.991 1.00 62.42 C ATOM 202 CG MET A 14 4.483 -27.878 -4.979 1.00 34.23 C ATOM 203 SD MET A 14 5.571 -26.449 -4.767 1.00 20.24 S ATOM 204 CE MET A 14 6.644 -27.171 -3.499 1.00 43.24 C ATOM 0 H MET A 14 2.568 -28.929 -8.734 1.00 13.42 H new ATOM 0 HA MET A 14 3.223 -29.710 -6.098 1.00 52.10 H new ATOM 0 HB2 MET A 14 3.780 -26.879 -6.764 1.00 62.42 H new ATOM 0 HB3 MET A 14 2.575 -27.001 -5.498 1.00 62.42 H new ATOM 0 HG2 MET A 14 4.038 -28.155 -4.023 1.00 34.23 H new ATOM 0 HG3 MET A 14 5.057 -28.738 -5.324 1.00 34.23 H new ATOM 0 HE1 MET A 14 7.407 -26.447 -3.212 1.00 43.24 H new ATOM 0 HE2 MET A 14 6.048 -27.435 -2.625 1.00 43.24 H new ATOM 0 HE3 MET A 14 7.124 -28.066 -3.895 1.00 43.24 H new ATOM 214 N PHE A 15 0.768 -28.707 -5.385 1.00 33.03 N ATOM 215 CA PHE A 15 -0.717 -28.748 -5.267 1.00 32.34 C ATOM 216 C PHE A 15 -1.274 -27.349 -4.992 1.00 23.30 C ATOM 217 O PHE A 15 -0.674 -26.554 -4.295 1.00 1.12 O ATOM 218 CB PHE A 15 -1.005 -29.662 -4.077 1.00 3.33 C ATOM 219 CG PHE A 15 -2.471 -29.570 -3.721 1.00 51.45 C ATOM 220 CD1 PHE A 15 -3.396 -30.414 -4.347 1.00 11.21 C ATOM 221 CD2 PHE A 15 -2.906 -28.640 -2.768 1.00 32.43 C ATOM 222 CE1 PHE A 15 -4.755 -30.328 -4.022 1.00 15.05 C ATOM 223 CE2 PHE A 15 -4.267 -28.554 -2.444 1.00 44.13 C ATOM 224 CZ PHE A 15 -5.190 -29.398 -3.070 1.00 22.41 C ATOM 0 H PHE A 15 1.272 -28.546 -4.513 1.00 33.03 H new ATOM 0 HA PHE A 15 -1.181 -29.107 -6.186 1.00 32.34 H new ATOM 0 HB2 PHE A 15 -0.742 -30.691 -4.322 1.00 3.33 H new ATOM 0 HB3 PHE A 15 -0.393 -29.371 -3.224 1.00 3.33 H new ATOM 0 HD1 PHE A 15 -3.061 -31.132 -5.081 1.00 11.21 H new ATOM 0 HD2 PHE A 15 -2.193 -27.990 -2.283 1.00 32.43 H new ATOM 0 HE1 PHE A 15 -5.468 -30.979 -4.506 1.00 15.05 H new ATOM 0 HE2 PHE A 15 -4.603 -27.836 -1.711 1.00 44.13 H new ATOM 0 HZ PHE A 15 -6.238 -29.332 -2.819 1.00 22.41 H new ATOM 234 N CYS A 16 -2.425 -27.056 -5.524 1.00 11.43 N ATOM 235 CA CYS A 16 -3.046 -25.721 -5.289 1.00 11.04 C ATOM 236 C CYS A 16 -4.566 -25.848 -5.390 1.00 11.51 C ATOM 237 O CYS A 16 -5.082 -26.594 -6.198 1.00 64.24 O ATOM 238 CB CYS A 16 -2.505 -24.814 -6.393 1.00 52.21 C ATOM 239 SG CYS A 16 -0.744 -24.502 -6.111 1.00 52.52 S ATOM 0 H CYS A 16 -2.967 -27.686 -6.115 1.00 11.43 H new ATOM 0 HA CYS A 16 -2.813 -25.320 -4.303 1.00 11.04 H new ATOM 0 HB2 CYS A 16 -2.651 -25.282 -7.367 1.00 52.21 H new ATOM 0 HB3 CYS A 16 -3.054 -23.873 -6.406 1.00 52.21 H new ATOM 0 HG CYS A 16 -0.330 -25.225 -5.113 1.00 52.52 H new ATOM 245 N VAL A 17 -5.288 -25.132 -4.579 1.00 32.43 N ATOM 246 CA VAL A 17 -6.774 -25.226 -4.637 1.00 43.21 C ATOM 247 C VAL A 17 -7.343 -23.992 -5.333 1.00 21.13 C ATOM 248 O VAL A 17 -7.176 -22.878 -4.882 1.00 44.04 O ATOM 249 CB VAL A 17 -7.253 -25.281 -3.181 1.00 72.22 C ATOM 250 CG1 VAL A 17 -8.586 -26.025 -3.115 1.00 5.01 C ATOM 251 CG2 VAL A 17 -6.226 -26.011 -2.307 1.00 3.35 C ATOM 0 H VAL A 17 -4.918 -24.488 -3.880 1.00 32.43 H new ATOM 0 HA VAL A 17 -7.102 -26.103 -5.196 1.00 43.21 H new ATOM 0 HB VAL A 17 -7.373 -24.263 -2.812 1.00 72.22 H new ATOM 0 HG11 VAL A 17 -8.929 -26.066 -2.081 1.00 5.01 H new ATOM 0 HG12 VAL A 17 -9.325 -25.502 -3.722 1.00 5.01 H new ATOM 0 HG13 VAL A 17 -8.456 -27.039 -3.494 1.00 5.01 H new ATOM 0 HG21 VAL A 17 -6.581 -26.041 -1.277 1.00 3.35 H new ATOM 0 HG22 VAL A 17 -6.093 -27.028 -2.675 1.00 3.35 H new ATOM 0 HG23 VAL A 17 -5.273 -25.483 -2.347 1.00 3.35 H new ATOM 261 N ILE A 18 -8.012 -24.184 -6.431 1.00 51.54 N ATOM 262 CA ILE A 18 -8.592 -23.023 -7.160 1.00 40.43 C ATOM 263 C ILE A 18 -10.053 -22.817 -6.753 1.00 21.14 C ATOM 264 O ILE A 18 -10.925 -23.575 -7.127 1.00 52.30 O ATOM 265 CB ILE A 18 -8.491 -23.393 -8.640 1.00 51.31 C ATOM 266 CG1 ILE A 18 -7.046 -23.209 -9.110 1.00 12.51 C ATOM 267 CG2 ILE A 18 -9.412 -22.488 -9.461 1.00 65.11 C ATOM 268 CD1 ILE A 18 -6.377 -24.576 -9.255 1.00 34.13 C ATOM 0 H ILE A 18 -8.183 -25.095 -6.857 1.00 51.54 H new ATOM 0 HA ILE A 18 -8.069 -22.093 -6.937 1.00 40.43 H new ATOM 0 HB ILE A 18 -8.792 -24.432 -8.776 1.00 51.31 H new ATOM 0 HG12 ILE A 18 -7.027 -22.681 -10.063 1.00 12.51 H new ATOM 0 HG13 ILE A 18 -6.495 -22.597 -8.395 1.00 12.51 H new ATOM 0 HG21 ILE A 18 -9.338 -22.754 -10.515 1.00 65.11 H new ATOM 0 HG22 ILE A 18 -10.441 -22.616 -9.126 1.00 65.11 H new ATOM 0 HG23 ILE A 18 -9.114 -21.448 -9.327 1.00 65.11 H new ATOM 0 HD11 ILE A 18 -5.348 -24.444 -9.590 1.00 34.13 H new ATOM 0 HD12 ILE A 18 -6.383 -25.088 -8.293 1.00 34.13 H new ATOM 0 HD13 ILE A 18 -6.923 -25.172 -9.986 1.00 34.13 H new ATOM 280 N TYR A 19 -10.329 -21.792 -5.993 1.00 24.32 N ATOM 281 CA TYR A 19 -11.735 -21.536 -5.569 1.00 23.01 C ATOM 282 C TYR A 19 -12.430 -20.638 -6.593 1.00 31.41 C ATOM 283 O TYR A 19 -11.789 -19.962 -7.374 1.00 41.23 O ATOM 284 CB TYR A 19 -11.628 -20.815 -4.226 1.00 55.02 C ATOM 285 CG TYR A 19 -11.374 -21.821 -3.126 1.00 33.22 C ATOM 286 CD1 TYR A 19 -10.069 -22.256 -2.864 1.00 73.11 C ATOM 287 CD2 TYR A 19 -12.443 -22.315 -2.367 1.00 43.32 C ATOM 288 CE1 TYR A 19 -9.832 -23.185 -1.844 1.00 21.01 C ATOM 289 CE2 TYR A 19 -12.205 -23.244 -1.347 1.00 73.21 C ATOM 290 CZ TYR A 19 -10.900 -23.679 -1.085 1.00 73.14 C ATOM 291 OH TYR A 19 -10.665 -24.594 -0.077 1.00 63.13 O ATOM 0 H TYR A 19 -9.642 -21.121 -5.648 1.00 24.32 H new ATOM 0 HA TYR A 19 -12.314 -22.456 -5.491 1.00 23.01 H new ATOM 0 HB2 TYR A 19 -10.819 -20.085 -4.258 1.00 55.02 H new ATOM 0 HB3 TYR A 19 -12.547 -20.265 -4.024 1.00 55.02 H new ATOM 0 HD1 TYR A 19 -9.245 -21.875 -3.449 1.00 73.11 H new ATOM 0 HD2 TYR A 19 -13.450 -21.980 -2.569 1.00 43.32 H new ATOM 0 HE1 TYR A 19 -8.825 -23.521 -1.642 1.00 21.01 H new ATOM 0 HE2 TYR A 19 -13.029 -23.625 -0.762 1.00 73.21 H new ATOM 0 HH TYR A 19 -11.513 -24.833 0.352 1.00 63.13 H new ATOM 301 N ARG A 20 -13.734 -20.620 -6.594 1.00 52.33 N ATOM 302 CA ARG A 20 -14.459 -19.759 -7.569 1.00 33.45 C ATOM 303 C ARG A 20 -15.423 -18.827 -6.833 1.00 21.41 C ATOM 304 O ARG A 20 -16.065 -19.210 -5.875 1.00 51.02 O ATOM 305 CB ARG A 20 -15.219 -20.732 -8.474 1.00 1.43 C ATOM 306 CG ARG A 20 -16.407 -21.331 -7.716 1.00 22.41 C ATOM 307 CD ARG A 20 -17.335 -22.040 -8.703 1.00 11.34 C ATOM 308 NE ARG A 20 -17.381 -23.456 -8.243 1.00 34.32 N ATOM 309 CZ ARG A 20 -18.263 -24.277 -8.746 1.00 3.24 C ATOM 310 NH1 ARG A 20 -18.817 -24.013 -9.898 1.00 31.33 N ATOM 311 NH2 ARG A 20 -18.592 -25.361 -8.098 1.00 41.40 N ATOM 0 H ARG A 20 -14.327 -21.162 -5.965 1.00 52.33 H new ATOM 0 HA ARG A 20 -13.785 -19.122 -8.143 1.00 33.45 H new ATOM 0 HB2 ARG A 20 -15.570 -20.213 -9.366 1.00 1.43 H new ATOM 0 HB3 ARG A 20 -14.552 -21.527 -8.809 1.00 1.43 H new ATOM 0 HG2 ARG A 20 -16.054 -22.035 -6.962 1.00 22.41 H new ATOM 0 HG3 ARG A 20 -16.950 -20.546 -7.190 1.00 22.41 H new ATOM 0 HD2 ARG A 20 -18.329 -21.592 -8.701 1.00 11.34 H new ATOM 0 HD3 ARG A 20 -16.955 -21.969 -9.722 1.00 11.34 H new ATOM 0 HE ARG A 20 -16.724 -23.784 -7.535 1.00 34.32 H new ATOM 0 HH11 ARG A 20 -18.561 -23.166 -10.405 1.00 31.33 H new ATOM 0 HH12 ARG A 20 -19.506 -24.654 -10.291 1.00 31.33 H new ATOM 0 HH21 ARG A 20 -18.160 -25.568 -7.197 1.00 41.40 H new ATOM 0 HH22 ARG A 20 -19.281 -26.001 -8.492 1.00 41.40 H new ATOM 325 N SER A 21 -15.522 -17.602 -7.269 1.00 23.51 N ATOM 326 CA SER A 21 -16.441 -16.642 -6.593 1.00 53.11 C ATOM 327 C SER A 21 -17.901 -17.070 -6.787 1.00 2.22 C ATOM 328 O SER A 21 -18.313 -17.441 -7.867 1.00 5.32 O ATOM 329 CB SER A 21 -16.174 -15.303 -7.275 1.00 25.22 C ATOM 330 OG SER A 21 -14.884 -14.835 -6.900 1.00 63.34 O ATOM 0 H SER A 21 -15.007 -17.224 -8.064 1.00 23.51 H new ATOM 0 HA SER A 21 -16.273 -16.594 -5.517 1.00 53.11 H new ATOM 0 HB2 SER A 21 -16.233 -15.415 -8.358 1.00 25.22 H new ATOM 0 HB3 SER A 21 -16.935 -14.577 -6.988 1.00 25.22 H new ATOM 0 HG SER A 21 -14.632 -15.226 -6.037 1.00 63.34 H new ATOM 336 N SER A 22 -18.681 -17.026 -5.738 1.00 51.22 N ATOM 337 CA SER A 22 -20.113 -17.437 -5.843 1.00 75.13 C ATOM 338 C SER A 22 -20.769 -16.813 -7.077 1.00 61.51 C ATOM 339 O SER A 22 -21.514 -17.460 -7.784 1.00 11.21 O ATOM 340 CB SER A 22 -20.769 -16.910 -4.569 1.00 42.34 C ATOM 341 OG SER A 22 -20.305 -17.664 -3.456 1.00 50.45 O ATOM 0 H SER A 22 -18.387 -16.722 -4.810 1.00 51.22 H new ATOM 0 HA SER A 22 -20.219 -18.517 -5.946 1.00 75.13 H new ATOM 0 HB2 SER A 22 -20.531 -15.855 -4.433 1.00 42.34 H new ATOM 0 HB3 SER A 22 -21.854 -16.985 -4.647 1.00 42.34 H new ATOM 0 HG SER A 22 -19.373 -17.427 -3.266 1.00 50.45 H new ATOM 347 N LYS A 23 -20.505 -15.566 -7.340 1.00 2.15 N ATOM 348 CA LYS A 23 -21.124 -14.917 -8.531 1.00 62.32 C ATOM 349 C LYS A 23 -20.217 -13.813 -9.075 1.00 32.12 C ATOM 350 O LYS A 23 -20.266 -12.682 -8.635 1.00 21.24 O ATOM 351 CB LYS A 23 -22.436 -14.322 -8.016 1.00 71.40 C ATOM 352 CG LYS A 23 -22.147 -13.425 -6.811 1.00 52.43 C ATOM 353 CD LYS A 23 -22.542 -14.154 -5.525 1.00 14.32 C ATOM 354 CE LYS A 23 -22.189 -13.281 -4.317 1.00 14.22 C ATOM 355 NZ LYS A 23 -20.701 -13.238 -4.291 1.00 52.14 N ATOM 0 H LYS A 23 -19.891 -14.969 -6.786 1.00 2.15 H new ATOM 0 HA LYS A 23 -21.282 -15.623 -9.346 1.00 62.32 H new ATOM 0 HB2 LYS A 23 -22.921 -13.746 -8.804 1.00 71.40 H new ATOM 0 HB3 LYS A 23 -23.124 -15.119 -7.734 1.00 71.40 H new ATOM 0 HG2 LYS A 23 -21.089 -13.165 -6.784 1.00 52.43 H new ATOM 0 HG3 LYS A 23 -22.703 -12.491 -6.898 1.00 52.43 H new ATOM 0 HD2 LYS A 23 -23.610 -14.372 -5.531 1.00 14.32 H new ATOM 0 HD3 LYS A 23 -22.022 -15.110 -5.461 1.00 14.32 H new ATOM 0 HE2 LYS A 23 -22.611 -12.281 -4.417 1.00 14.22 H new ATOM 0 HE3 LYS A 23 -22.587 -13.704 -3.395 1.00 14.22 H new ATOM 0 HZ1 LYS A 23 -20.361 -13.537 -3.354 1.00 52.14 H new ATOM 0 HZ2 LYS A 23 -20.322 -13.879 -5.017 1.00 52.14 H new ATOM 0 HZ3 LYS A 23 -20.378 -12.268 -4.483 1.00 52.14 H new ATOM 369 N ARG A 24 -19.395 -14.130 -10.035 1.00 44.40 N ATOM 370 CA ARG A 24 -18.492 -13.096 -10.614 1.00 2.34 C ATOM 371 C ARG A 24 -18.149 -13.454 -12.063 1.00 20.45 C ATOM 372 O ARG A 24 -18.709 -14.369 -12.634 1.00 65.14 O ATOM 373 CB ARG A 24 -17.237 -13.131 -9.740 1.00 60.50 C ATOM 374 CG ARG A 24 -17.363 -12.095 -8.617 1.00 12.42 C ATOM 375 CD ARG A 24 -17.331 -10.684 -9.209 1.00 34.00 C ATOM 376 NE ARG A 24 -15.904 -10.449 -9.562 1.00 50.35 N ATOM 377 CZ ARG A 24 -15.216 -9.541 -8.929 1.00 11.51 C ATOM 378 NH1 ARG A 24 -15.783 -8.419 -8.578 1.00 21.33 N ATOM 379 NH2 ARG A 24 -13.960 -9.754 -8.644 1.00 24.23 N ATOM 0 H ARG A 24 -19.309 -15.060 -10.444 1.00 44.40 H new ATOM 0 HA ARG A 24 -18.948 -12.106 -10.628 1.00 2.34 H new ATOM 0 HB2 ARG A 24 -17.104 -14.127 -9.317 1.00 60.50 H new ATOM 0 HB3 ARG A 24 -16.355 -12.921 -10.345 1.00 60.50 H new ATOM 0 HG2 ARG A 24 -18.293 -12.249 -8.070 1.00 12.42 H new ATOM 0 HG3 ARG A 24 -16.549 -12.218 -7.903 1.00 12.42 H new ATOM 0 HD2 ARG A 24 -17.973 -10.609 -10.087 1.00 34.00 H new ATOM 0 HD3 ARG A 24 -17.687 -9.946 -8.490 1.00 34.00 H new ATOM 0 HE ARG A 24 -15.464 -10.999 -10.300 1.00 50.35 H new ATOM 0 HH11 ARG A 24 -16.765 -8.253 -8.799 1.00 21.33 H new ATOM 0 HH12 ARG A 24 -15.244 -7.709 -8.083 1.00 21.33 H new ATOM 0 HH21 ARG A 24 -13.517 -10.631 -8.917 1.00 24.23 H new ATOM 0 HH22 ARG A 24 -13.422 -9.043 -8.149 1.00 24.23 H new ATOM 393 N ASP A 25 -17.235 -12.743 -12.660 1.00 72.41 N ATOM 394 CA ASP A 25 -16.860 -13.046 -14.070 1.00 42.40 C ATOM 395 C ASP A 25 -15.886 -14.226 -14.109 1.00 43.13 C ATOM 396 O ASP A 25 -16.202 -15.291 -14.602 1.00 52.13 O ATOM 397 CB ASP A 25 -16.183 -11.774 -14.581 1.00 53.24 C ATOM 398 CG ASP A 25 -16.354 -11.674 -16.097 1.00 44.24 C ATOM 399 OD1 ASP A 25 -17.480 -11.498 -16.537 1.00 2.15 O ATOM 400 OD2 ASP A 25 -15.359 -11.775 -16.794 1.00 54.11 O ATOM 0 H ASP A 25 -16.731 -11.965 -12.234 1.00 72.41 H new ATOM 0 HA ASP A 25 -17.721 -13.321 -14.680 1.00 42.40 H new ATOM 0 HB2 ASP A 25 -16.618 -10.899 -14.098 1.00 53.24 H new ATOM 0 HB3 ASP A 25 -15.124 -11.786 -14.325 1.00 53.24 H new ATOM 405 N GLN A 26 -14.708 -14.043 -13.586 1.00 22.41 N ATOM 406 CA GLN A 26 -13.709 -15.148 -13.584 1.00 24.44 C ATOM 407 C GLN A 26 -12.761 -14.990 -12.392 1.00 12.32 C ATOM 408 O GLN A 26 -11.559 -15.106 -12.523 1.00 24.02 O ATOM 409 CB GLN A 26 -12.946 -14.995 -14.901 1.00 52.12 C ATOM 410 CG GLN A 26 -13.411 -16.067 -15.891 1.00 61.43 C ATOM 411 CD GLN A 26 -13.128 -15.598 -17.319 1.00 53.13 C ATOM 412 OE1 GLN A 26 -12.574 -16.333 -18.114 1.00 61.30 O ATOM 413 NE2 GLN A 26 -13.486 -14.397 -17.682 1.00 41.05 N ATOM 0 H GLN A 26 -14.392 -13.173 -13.158 1.00 22.41 H new ATOM 0 HA GLN A 26 -14.174 -16.130 -13.497 1.00 24.44 H new ATOM 0 HB2 GLN A 26 -13.115 -14.002 -15.318 1.00 52.12 H new ATOM 0 HB3 GLN A 26 -11.874 -15.088 -14.725 1.00 52.12 H new ATOM 0 HG2 GLN A 26 -12.894 -17.006 -15.696 1.00 61.43 H new ATOM 0 HG3 GLN A 26 -14.477 -16.257 -15.764 1.00 61.43 H new ATOM 0 HE21 GLN A 26 -13.951 -13.780 -17.016 1.00 41.05 H new ATOM 0 HE22 GLN A 26 -13.301 -14.075 -18.632 1.00 41.05 H new ATOM 422 N THR A 27 -13.296 -14.725 -11.230 1.00 31.10 N ATOM 423 CA THR A 27 -12.425 -14.557 -10.033 1.00 24.35 C ATOM 424 C THR A 27 -12.158 -15.911 -9.374 1.00 23.42 C ATOM 425 O THR A 27 -13.073 -16.658 -9.069 1.00 45.23 O ATOM 426 CB THR A 27 -13.221 -13.652 -9.090 1.00 14.00 C ATOM 427 OG1 THR A 27 -13.468 -12.407 -9.729 1.00 31.15 O ATOM 428 CG2 THR A 27 -12.422 -13.416 -7.807 1.00 33.44 C ATOM 0 H THR A 27 -14.296 -14.618 -11.059 1.00 31.10 H new ATOM 0 HA THR A 27 -11.454 -14.132 -10.287 1.00 24.35 H new ATOM 0 HB THR A 27 -14.168 -14.131 -8.842 1.00 14.00 H new ATOM 0 HG1 THR A 27 -14.191 -12.512 -10.383 1.00 31.15 H new ATOM 0 HG21 THR A 27 -12.991 -12.771 -7.137 1.00 33.44 H new ATOM 0 HG22 THR A 27 -12.231 -14.370 -7.316 1.00 33.44 H new ATOM 0 HG23 THR A 27 -11.474 -12.938 -8.052 1.00 33.44 H new ATOM 436 N TYR A 28 -10.912 -16.236 -9.153 1.00 43.33 N ATOM 437 CA TYR A 28 -10.587 -17.545 -8.514 1.00 1.13 C ATOM 438 C TYR A 28 -9.516 -17.363 -7.436 1.00 22.01 C ATOM 439 O TYR A 28 -8.589 -16.593 -7.591 1.00 51.33 O ATOM 440 CB TYR A 28 -10.052 -18.422 -9.647 1.00 32.00 C ATOM 441 CG TYR A 28 -11.194 -18.870 -10.529 1.00 73.24 C ATOM 442 CD1 TYR A 28 -11.772 -17.974 -11.434 1.00 31.15 C ATOM 443 CD2 TYR A 28 -11.667 -20.185 -10.442 1.00 23.21 C ATOM 444 CE1 TYR A 28 -12.826 -18.391 -12.253 1.00 31.52 C ATOM 445 CE2 TYR A 28 -12.721 -20.604 -11.262 1.00 70.43 C ATOM 446 CZ TYR A 28 -13.302 -19.706 -12.167 1.00 54.30 C ATOM 447 OH TYR A 28 -14.340 -20.119 -12.976 1.00 70.02 O ATOM 0 H TYR A 28 -10.107 -15.654 -9.386 1.00 43.33 H new ATOM 0 HA TYR A 28 -11.457 -17.987 -8.028 1.00 1.13 H new ATOM 0 HB2 TYR A 28 -9.322 -17.867 -10.236 1.00 32.00 H new ATOM 0 HB3 TYR A 28 -9.536 -19.289 -9.235 1.00 32.00 H new ATOM 0 HD1 TYR A 28 -11.405 -16.961 -11.500 1.00 31.15 H new ATOM 0 HD2 TYR A 28 -11.219 -20.875 -9.743 1.00 23.21 H new ATOM 0 HE1 TYR A 28 -13.273 -17.699 -12.952 1.00 31.52 H new ATOM 0 HE2 TYR A 28 -13.086 -21.618 -11.197 1.00 70.43 H new ATOM 0 HH TYR A 28 -14.546 -21.059 -12.790 1.00 70.02 H new ATOM 457 N LEU A 29 -9.638 -18.069 -6.346 1.00 21.10 N ATOM 458 CA LEU A 29 -8.627 -17.946 -5.259 1.00 53.03 C ATOM 459 C LEU A 29 -7.701 -19.167 -5.267 1.00 30.53 C ATOM 460 O LEU A 29 -8.083 -20.241 -5.682 1.00 13.24 O ATOM 461 CB LEU A 29 -9.443 -17.896 -3.968 1.00 50.11 C ATOM 462 CG LEU A 29 -9.387 -16.484 -3.384 1.00 5.23 C ATOM 463 CD1 LEU A 29 -10.086 -16.465 -2.024 1.00 42.44 C ATOM 464 CD2 LEU A 29 -7.925 -16.064 -3.213 1.00 40.23 C ATOM 0 H LEU A 29 -10.395 -18.727 -6.161 1.00 21.10 H new ATOM 0 HA LEU A 29 -7.994 -17.066 -5.373 1.00 53.03 H new ATOM 0 HB2 LEU A 29 -10.477 -18.178 -4.168 1.00 50.11 H new ATOM 0 HB3 LEU A 29 -9.050 -18.614 -3.249 1.00 50.11 H new ATOM 0 HG LEU A 29 -9.890 -15.791 -4.058 1.00 5.23 H new ATOM 0 HD11 LEU A 29 -10.046 -15.458 -1.608 1.00 42.44 H new ATOM 0 HD12 LEU A 29 -11.127 -16.766 -2.145 1.00 42.44 H new ATOM 0 HD13 LEU A 29 -9.585 -17.157 -1.348 1.00 42.44 H new ATOM 0 HD21 LEU A 29 -7.882 -15.058 -2.797 1.00 40.23 H new ATOM 0 HD22 LEU A 29 -7.424 -16.758 -2.538 1.00 40.23 H new ATOM 0 HD23 LEU A 29 -7.427 -16.077 -4.182 1.00 40.23 H new ATOM 476 N TYR A 30 -6.485 -19.008 -4.819 1.00 44.12 N ATOM 477 CA TYR A 30 -5.541 -20.162 -4.813 1.00 53.42 C ATOM 478 C TYR A 30 -4.926 -20.352 -3.424 1.00 32.45 C ATOM 479 O TYR A 30 -4.670 -19.403 -2.709 1.00 22.23 O ATOM 480 CB TYR A 30 -4.462 -19.793 -5.828 1.00 35.01 C ATOM 481 CG TYR A 30 -5.047 -19.814 -7.218 1.00 20.53 C ATOM 482 CD1 TYR A 30 -6.018 -18.873 -7.583 1.00 32.31 C ATOM 483 CD2 TYR A 30 -4.620 -20.774 -8.143 1.00 21.12 C ATOM 484 CE1 TYR A 30 -6.561 -18.893 -8.872 1.00 60.25 C ATOM 485 CE2 TYR A 30 -5.165 -20.792 -9.433 1.00 54.11 C ATOM 486 CZ TYR A 30 -6.135 -19.852 -9.795 1.00 71.25 C ATOM 487 OH TYR A 30 -6.669 -19.869 -11.069 1.00 42.32 O ATOM 0 H TYR A 30 -6.106 -18.133 -4.458 1.00 44.12 H new ATOM 0 HA TYR A 30 -6.040 -21.098 -5.063 1.00 53.42 H new ATOM 0 HB2 TYR A 30 -4.062 -18.804 -5.606 1.00 35.01 H new ATOM 0 HB3 TYR A 30 -3.631 -20.495 -5.762 1.00 35.01 H new ATOM 0 HD1 TYR A 30 -6.347 -18.132 -6.870 1.00 32.31 H new ATOM 0 HD2 TYR A 30 -3.871 -21.500 -7.862 1.00 21.12 H new ATOM 0 HE1 TYR A 30 -7.309 -18.167 -9.154 1.00 60.25 H new ATOM 0 HE2 TYR A 30 -4.836 -21.532 -10.148 1.00 54.11 H new ATOM 0 HH TYR A 30 -6.264 -20.598 -11.584 1.00 42.32 H new ATOM 497 N VAL A 31 -4.683 -21.576 -3.042 1.00 21.55 N ATOM 498 CA VAL A 31 -4.075 -21.842 -1.703 1.00 22.54 C ATOM 499 C VAL A 31 -3.363 -23.194 -1.715 1.00 54.42 C ATOM 500 O VAL A 31 -3.711 -24.084 -2.463 1.00 54.03 O ATOM 501 CB VAL A 31 -5.240 -21.871 -0.702 1.00 23.31 C ATOM 502 CG1 VAL A 31 -5.468 -20.465 -0.152 1.00 51.40 C ATOM 503 CG2 VAL A 31 -6.518 -22.368 -1.386 1.00 55.33 C ATOM 0 H VAL A 31 -4.879 -22.407 -3.600 1.00 21.55 H new ATOM 0 HA VAL A 31 -3.341 -21.081 -1.438 1.00 22.54 H new ATOM 0 HB VAL A 31 -4.991 -22.551 0.113 1.00 23.31 H new ATOM 0 HG11 VAL A 31 -6.294 -20.482 0.559 1.00 51.40 H new ATOM 0 HG12 VAL A 31 -4.564 -20.120 0.350 1.00 51.40 H new ATOM 0 HG13 VAL A 31 -5.709 -19.788 -0.972 1.00 51.40 H new ATOM 0 HG21 VAL A 31 -7.335 -22.383 -0.664 1.00 55.33 H new ATOM 0 HG22 VAL A 31 -6.773 -21.700 -2.209 1.00 55.33 H new ATOM 0 HG23 VAL A 31 -6.356 -23.374 -1.772 1.00 55.33 H new ATOM 513 N GLU A 32 -2.371 -23.354 -0.887 1.00 60.03 N ATOM 514 CA GLU A 32 -1.646 -24.658 -0.848 1.00 64.31 C ATOM 515 C GLU A 32 -2.571 -25.741 -0.290 1.00 30.14 C ATOM 516 O GLU A 32 -2.317 -26.922 -0.429 1.00 23.10 O ATOM 517 CB GLU A 32 -0.456 -24.426 0.083 1.00 71.45 C ATOM 518 CG GLU A 32 -0.961 -24.101 1.491 1.00 21.01 C ATOM 519 CD GLU A 32 -0.110 -24.842 2.524 1.00 15.13 C ATOM 520 OE1 GLU A 32 -0.347 -26.023 2.719 1.00 54.14 O ATOM 521 OE2 GLU A 32 0.763 -24.217 3.102 1.00 74.03 O ATOM 0 H GLU A 32 -2.030 -22.645 -0.238 1.00 60.03 H new ATOM 0 HA GLU A 32 -1.321 -24.989 -1.835 1.00 64.31 H new ATOM 0 HB2 GLU A 32 0.177 -25.313 0.109 1.00 71.45 H new ATOM 0 HB3 GLU A 32 0.158 -23.607 -0.292 1.00 71.45 H new ATOM 0 HG2 GLU A 32 -0.911 -23.026 1.667 1.00 21.01 H new ATOM 0 HG3 GLU A 32 -2.007 -24.392 1.590 1.00 21.01 H new ATOM 528 N LYS A 33 -3.648 -25.342 0.326 1.00 63.14 N ATOM 529 CA LYS A 33 -4.604 -26.336 0.889 1.00 25.23 C ATOM 530 C LYS A 33 -5.989 -25.691 1.040 1.00 31.02 C ATOM 531 O LYS A 33 -6.136 -24.488 0.961 1.00 32.23 O ATOM 532 CB LYS A 33 -4.024 -26.728 2.251 1.00 3.15 C ATOM 533 CG LYS A 33 -4.362 -25.658 3.296 1.00 34.24 C ATOM 534 CD LYS A 33 -3.356 -25.733 4.448 1.00 22.12 C ATOM 535 CE LYS A 33 -3.624 -26.989 5.280 1.00 21.11 C ATOM 536 NZ LYS A 33 -2.690 -26.888 6.437 1.00 50.34 N ATOM 0 H LYS A 33 -3.909 -24.366 0.465 1.00 63.14 H new ATOM 0 HA LYS A 33 -4.728 -27.209 0.249 1.00 25.23 H new ATOM 0 HB2 LYS A 33 -4.427 -27.692 2.563 1.00 3.15 H new ATOM 0 HB3 LYS A 33 -2.943 -26.844 2.175 1.00 3.15 H new ATOM 0 HG2 LYS A 33 -4.336 -24.668 2.840 1.00 34.24 H new ATOM 0 HG3 LYS A 33 -5.374 -25.809 3.672 1.00 34.24 H new ATOM 0 HD2 LYS A 33 -2.339 -25.754 4.056 1.00 22.12 H new ATOM 0 HD3 LYS A 33 -3.438 -24.845 5.074 1.00 22.12 H new ATOM 0 HE2 LYS A 33 -4.661 -27.029 5.612 1.00 21.11 H new ATOM 0 HE3 LYS A 33 -3.439 -27.894 4.701 1.00 21.11 H new ATOM 0 HZ1 LYS A 33 -2.813 -27.715 7.056 1.00 50.34 H new ATOM 0 HZ2 LYS A 33 -1.710 -26.858 6.090 1.00 50.34 H new ATOM 0 HZ3 LYS A 33 -2.894 -26.021 6.973 1.00 50.34 H new ATOM 550 N LYS A 34 -7.000 -26.483 1.257 1.00 0.24 N ATOM 551 CA LYS A 34 -8.373 -25.915 1.409 1.00 54.31 C ATOM 552 C LYS A 34 -8.649 -25.587 2.880 1.00 24.03 C ATOM 553 O LYS A 34 -9.547 -26.137 3.484 1.00 2.43 O ATOM 554 CB LYS A 34 -9.319 -27.017 0.924 1.00 41.14 C ATOM 555 CG LYS A 34 -8.765 -27.653 -0.352 1.00 52.42 C ATOM 556 CD LYS A 34 -8.301 -29.080 -0.050 1.00 73.54 C ATOM 557 CE LYS A 34 -9.503 -30.026 -0.085 1.00 51.31 C ATOM 558 NZ LYS A 34 -8.941 -31.349 -0.478 1.00 64.24 N ATOM 0 H LYS A 34 -6.938 -27.498 1.336 1.00 0.24 H new ATOM 0 HA LYS A 34 -8.499 -24.991 0.844 1.00 54.31 H new ATOM 0 HB2 LYS A 34 -9.435 -27.776 1.698 1.00 41.14 H new ATOM 0 HB3 LYS A 34 -10.309 -26.601 0.734 1.00 41.14 H new ATOM 0 HG2 LYS A 34 -9.531 -27.665 -1.128 1.00 52.42 H new ATOM 0 HG3 LYS A 34 -7.933 -27.062 -0.734 1.00 52.42 H new ATOM 0 HD2 LYS A 34 -7.556 -29.394 -0.781 1.00 73.54 H new ATOM 0 HD3 LYS A 34 -7.823 -29.119 0.929 1.00 73.54 H new ATOM 0 HE2 LYS A 34 -9.993 -30.078 0.887 1.00 51.31 H new ATOM 0 HE3 LYS A 34 -10.252 -29.687 -0.801 1.00 51.31 H new ATOM 0 HZ1 LYS A 34 -9.706 -32.052 -0.524 1.00 64.24 H new ATOM 0 HZ2 LYS A 34 -8.487 -31.270 -1.411 1.00 64.24 H new ATOM 0 HZ3 LYS A 34 -8.236 -31.650 0.225 1.00 64.24 H new ATOM 572 N ASP A 35 -7.886 -24.704 3.466 1.00 4.12 N ATOM 573 CA ASP A 35 -8.127 -24.371 4.901 1.00 74.21 C ATOM 574 C ASP A 35 -8.967 -23.097 5.039 1.00 55.21 C ATOM 575 O ASP A 35 -10.127 -23.148 5.395 1.00 20.13 O ATOM 576 CB ASP A 35 -6.735 -24.158 5.494 1.00 32.30 C ATOM 577 CG ASP A 35 -6.286 -25.431 6.214 1.00 12.24 C ATOM 578 OD1 ASP A 35 -6.900 -26.462 5.992 1.00 73.54 O ATOM 579 OD2 ASP A 35 -5.335 -25.356 6.973 1.00 31.01 O ATOM 0 H ASP A 35 -7.116 -24.204 3.021 1.00 4.12 H new ATOM 0 HA ASP A 35 -8.680 -25.160 5.411 1.00 74.21 H new ATOM 0 HB2 ASP A 35 -6.027 -23.905 4.705 1.00 32.30 H new ATOM 0 HB3 ASP A 35 -6.749 -23.320 6.190 1.00 32.30 H new ATOM 584 N ASP A 36 -8.394 -21.956 4.770 1.00 41.51 N ATOM 585 CA ASP A 36 -9.169 -20.690 4.898 1.00 41.01 C ATOM 586 C ASP A 36 -8.412 -19.528 4.250 1.00 61.44 C ATOM 587 O ASP A 36 -7.272 -19.659 3.854 1.00 44.24 O ATOM 588 CB ASP A 36 -9.311 -20.457 6.401 1.00 3.30 C ATOM 589 CG ASP A 36 -10.606 -21.103 6.898 1.00 10.41 C ATOM 590 OD1 ASP A 36 -11.638 -20.857 6.294 1.00 63.23 O ATOM 591 OD2 ASP A 36 -10.545 -21.834 7.872 1.00 72.12 O ATOM 0 H ASP A 36 -7.426 -21.846 4.468 1.00 41.51 H new ATOM 0 HA ASP A 36 -10.136 -20.755 4.400 1.00 41.01 H new ATOM 0 HB2 ASP A 36 -8.456 -20.880 6.928 1.00 3.30 H new ATOM 0 HB3 ASP A 36 -9.320 -19.388 6.615 1.00 3.30 H new ATOM 596 N PHE A 37 -9.038 -18.388 4.161 1.00 13.32 N ATOM 597 CA PHE A 37 -8.355 -17.205 3.559 1.00 32.43 C ATOM 598 C PHE A 37 -8.329 -16.064 4.580 1.00 11.51 C ATOM 599 O PHE A 37 -9.305 -15.364 4.769 1.00 11.34 O ATOM 600 CB PHE A 37 -9.224 -16.818 2.364 1.00 53.14 C ATOM 601 CG PHE A 37 -8.911 -17.709 1.187 1.00 51.40 C ATOM 602 CD1 PHE A 37 -9.587 -18.925 1.028 1.00 65.01 C ATOM 603 CD2 PHE A 37 -7.954 -17.312 0.246 1.00 70.35 C ATOM 604 CE1 PHE A 37 -9.302 -19.744 -0.069 1.00 41.41 C ATOM 605 CE2 PHE A 37 -7.672 -18.131 -0.853 1.00 74.11 C ATOM 606 CZ PHE A 37 -8.344 -19.348 -1.010 1.00 34.24 C ATOM 0 H PHE A 37 -9.993 -18.222 4.479 1.00 13.32 H new ATOM 0 HA PHE A 37 -7.326 -17.415 3.266 1.00 32.43 H new ATOM 0 HB2 PHE A 37 -10.278 -16.906 2.627 1.00 53.14 H new ATOM 0 HB3 PHE A 37 -9.048 -15.776 2.098 1.00 53.14 H new ATOM 0 HD1 PHE A 37 -10.328 -19.230 1.752 1.00 65.01 H new ATOM 0 HD2 PHE A 37 -7.433 -16.374 0.368 1.00 70.35 H new ATOM 0 HE1 PHE A 37 -9.821 -20.683 -0.190 1.00 41.41 H new ATOM 0 HE2 PHE A 37 -6.935 -17.823 -1.580 1.00 74.11 H new ATOM 0 HZ PHE A 37 -8.124 -19.982 -1.857 1.00 34.24 H new ATOM 616 N SER A 38 -7.220 -15.870 5.240 1.00 23.32 N ATOM 617 CA SER A 38 -7.132 -14.775 6.250 1.00 71.53 C ATOM 618 C SER A 38 -6.165 -13.686 5.783 1.00 52.44 C ATOM 619 O SER A 38 -6.034 -12.652 6.406 1.00 63.33 O ATOM 620 CB SER A 38 -6.609 -15.451 7.516 1.00 4.23 C ATOM 621 OG SER A 38 -5.627 -14.622 8.122 1.00 33.14 O ATOM 0 H SER A 38 -6.370 -16.422 5.124 1.00 23.32 H new ATOM 0 HA SER A 38 -8.094 -14.287 6.411 1.00 71.53 H new ATOM 0 HB2 SER A 38 -7.429 -15.630 8.211 1.00 4.23 H new ATOM 0 HB3 SER A 38 -6.180 -16.423 7.272 1.00 4.23 H new ATOM 0 HG SER A 38 -5.291 -15.053 8.935 1.00 33.14 H new ATOM 627 N ARG A 39 -5.473 -13.917 4.704 1.00 53.54 N ATOM 628 CA ARG A 39 -4.502 -12.895 4.215 1.00 1.25 C ATOM 629 C ARG A 39 -5.116 -12.051 3.097 1.00 33.13 C ATOM 630 O ARG A 39 -4.629 -10.985 2.777 1.00 33.23 O ATOM 631 CB ARG A 39 -3.313 -13.703 3.694 1.00 73.02 C ATOM 632 CG ARG A 39 -2.035 -12.866 3.805 1.00 20.34 C ATOM 633 CD ARG A 39 -1.875 -12.360 5.242 1.00 25.24 C ATOM 634 NE ARG A 39 -0.428 -12.526 5.551 1.00 32.42 N ATOM 635 CZ ARG A 39 0.001 -12.372 6.775 1.00 1.34 C ATOM 636 NH1 ARG A 39 -0.550 -11.482 7.553 1.00 13.20 N ATOM 637 NH2 ARG A 39 0.979 -13.111 7.221 1.00 20.41 N ATOM 0 H ARG A 39 -5.535 -14.765 4.140 1.00 53.54 H new ATOM 0 HA ARG A 39 -4.212 -12.197 5.000 1.00 1.25 H new ATOM 0 HB2 ARG A 39 -3.207 -14.624 4.267 1.00 73.02 H new ATOM 0 HB3 ARG A 39 -3.482 -13.991 2.656 1.00 73.02 H new ATOM 0 HG2 ARG A 39 -1.170 -13.465 3.521 1.00 20.34 H new ATOM 0 HG3 ARG A 39 -2.079 -12.023 3.115 1.00 20.34 H new ATOM 0 HD2 ARG A 39 -2.180 -11.317 5.329 1.00 25.24 H new ATOM 0 HD3 ARG A 39 -2.494 -12.932 5.933 1.00 25.24 H new ATOM 0 HE ARG A 39 0.229 -12.760 4.806 1.00 32.42 H new ATOM 0 HH11 ARG A 39 -1.317 -10.906 7.206 1.00 13.20 H new ATOM 0 HH12 ARG A 39 -0.214 -11.362 8.509 1.00 13.20 H new ATOM 0 HH21 ARG A 39 1.409 -13.809 6.614 1.00 20.41 H new ATOM 0 HH22 ARG A 39 1.314 -12.991 8.177 1.00 20.41 H new ATOM 651 N VAL A 40 -6.180 -12.510 2.499 1.00 41.42 N ATOM 652 CA VAL A 40 -6.812 -11.721 1.409 1.00 23.24 C ATOM 653 C VAL A 40 -7.366 -10.406 1.966 1.00 21.10 C ATOM 654 O VAL A 40 -8.053 -10.398 2.969 1.00 31.23 O ATOM 655 CB VAL A 40 -7.946 -12.595 0.885 1.00 4.03 C ATOM 656 CG1 VAL A 40 -8.948 -12.853 2.010 1.00 24.02 C ATOM 657 CG2 VAL A 40 -8.648 -11.873 -0.267 1.00 22.42 C ATOM 0 H VAL A 40 -6.637 -13.395 2.718 1.00 41.42 H new ATOM 0 HA VAL A 40 -6.102 -11.465 0.623 1.00 23.24 H new ATOM 0 HB VAL A 40 -7.545 -13.544 0.531 1.00 4.03 H new ATOM 0 HG11 VAL A 40 -9.760 -13.478 1.638 1.00 24.02 H new ATOM 0 HG12 VAL A 40 -8.447 -13.362 2.834 1.00 24.02 H new ATOM 0 HG13 VAL A 40 -9.352 -11.904 2.362 1.00 24.02 H new ATOM 0 HG21 VAL A 40 -9.460 -12.494 -0.645 1.00 22.42 H new ATOM 0 HG22 VAL A 40 -9.052 -10.926 0.090 1.00 22.42 H new ATOM 0 HG23 VAL A 40 -7.933 -11.684 -1.068 1.00 22.42 H new ATOM 667 N PRO A 41 -7.049 -9.339 1.291 1.00 13.15 N ATOM 668 CA PRO A 41 -7.517 -7.996 1.714 1.00 51.21 C ATOM 669 C PRO A 41 -9.024 -7.857 1.491 1.00 43.04 C ATOM 670 O PRO A 41 -9.570 -8.364 0.532 1.00 30.34 O ATOM 671 CB PRO A 41 -6.746 -7.046 0.802 1.00 40.44 C ATOM 672 CG PRO A 41 -6.405 -7.864 -0.402 1.00 72.53 C ATOM 673 CD PRO A 41 -6.232 -9.282 0.074 1.00 71.33 C ATOM 0 HA PRO A 41 -7.348 -7.799 2.773 1.00 51.21 H new ATOM 0 HB2 PRO A 41 -7.350 -6.179 0.533 1.00 40.44 H new ATOM 0 HB3 PRO A 41 -5.848 -6.670 1.292 1.00 40.44 H new ATOM 0 HG2 PRO A 41 -7.195 -7.800 -1.150 1.00 72.53 H new ATOM 0 HG3 PRO A 41 -5.492 -7.499 -0.872 1.00 72.53 H new ATOM 0 HD2 PRO A 41 -6.573 -10.000 -0.672 1.00 71.33 H new ATOM 0 HD3 PRO A 41 -5.187 -9.511 0.282 1.00 71.33 H new ATOM 681 N GLU A 42 -9.702 -7.170 2.370 1.00 43.53 N ATOM 682 CA GLU A 42 -11.173 -6.998 2.205 1.00 50.41 C ATOM 683 C GLU A 42 -11.468 -6.187 0.941 1.00 12.40 C ATOM 684 O GLU A 42 -12.599 -6.080 0.510 1.00 42.04 O ATOM 685 CB GLU A 42 -11.627 -6.235 3.448 1.00 74.21 C ATOM 686 CG GLU A 42 -13.133 -6.422 3.641 1.00 21.22 C ATOM 687 CD GLU A 42 -13.705 -5.220 4.395 1.00 54.11 C ATOM 688 OE1 GLU A 42 -13.573 -4.115 3.894 1.00 73.42 O ATOM 689 OE2 GLU A 42 -14.264 -5.425 5.459 1.00 40.02 O ATOM 0 H GLU A 42 -9.301 -6.721 3.194 1.00 43.53 H new ATOM 0 HA GLU A 42 -11.692 -7.951 2.102 1.00 50.41 H new ATOM 0 HB2 GLU A 42 -11.090 -6.596 4.325 1.00 74.21 H new ATOM 0 HB3 GLU A 42 -11.392 -5.176 3.343 1.00 74.21 H new ATOM 0 HG2 GLU A 42 -13.624 -6.525 2.673 1.00 21.22 H new ATOM 0 HG3 GLU A 42 -13.328 -7.339 4.197 1.00 21.22 H new ATOM 696 N GLU A 43 -10.459 -5.619 0.342 1.00 11.13 N ATOM 697 CA GLU A 43 -10.680 -4.819 -0.897 1.00 54.32 C ATOM 698 C GLU A 43 -10.984 -5.753 -2.070 1.00 5.30 C ATOM 699 O GLU A 43 -11.867 -5.502 -2.864 1.00 13.34 O ATOM 700 CB GLU A 43 -9.365 -4.075 -1.125 1.00 10.20 C ATOM 701 CG GLU A 43 -9.217 -2.968 -0.078 1.00 2.04 C ATOM 702 CD GLU A 43 -10.123 -1.790 -0.447 1.00 62.42 C ATOM 703 OE1 GLU A 43 -10.909 -1.939 -1.368 1.00 31.25 O ATOM 704 OE2 GLU A 43 -10.015 -0.760 0.199 1.00 2.53 O ATOM 0 H GLU A 43 -9.490 -5.674 0.656 1.00 11.13 H new ATOM 0 HA GLU A 43 -11.522 -4.133 -0.809 1.00 54.32 H new ATOM 0 HB2 GLU A 43 -8.526 -4.768 -1.058 1.00 10.20 H new ATOM 0 HB3 GLU A 43 -9.346 -3.647 -2.127 1.00 10.20 H new ATOM 0 HG2 GLU A 43 -9.481 -3.349 0.909 1.00 2.04 H new ATOM 0 HG3 GLU A 43 -8.179 -2.639 -0.025 1.00 2.04 H new ATOM 711 N LEU A 44 -10.257 -6.833 -2.178 1.00 33.22 N ATOM 712 CA LEU A 44 -10.503 -7.789 -3.297 1.00 31.42 C ATOM 713 C LEU A 44 -11.579 -8.802 -2.896 1.00 15.11 C ATOM 714 O LEU A 44 -12.489 -9.086 -3.651 1.00 0.31 O ATOM 715 CB LEU A 44 -9.164 -8.491 -3.521 1.00 14.12 C ATOM 716 CG LEU A 44 -8.799 -8.442 -5.007 1.00 33.11 C ATOM 717 CD1 LEU A 44 -9.961 -8.987 -5.839 1.00 53.21 C ATOM 718 CD2 LEU A 44 -8.516 -6.994 -5.414 1.00 44.15 C ATOM 0 H LEU A 44 -9.505 -7.094 -1.541 1.00 33.22 H new ATOM 0 HA LEU A 44 -10.856 -7.288 -4.199 1.00 31.42 H new ATOM 0 HB2 LEU A 44 -8.386 -8.009 -2.929 1.00 14.12 H new ATOM 0 HB3 LEU A 44 -9.224 -9.526 -3.185 1.00 14.12 H new ATOM 0 HG LEU A 44 -7.912 -9.050 -5.182 1.00 33.11 H new ATOM 0 HD11 LEU A 44 -9.699 -8.951 -6.897 1.00 53.21 H new ATOM 0 HD12 LEU A 44 -10.163 -10.018 -5.550 1.00 53.21 H new ATOM 0 HD13 LEU A 44 -10.850 -8.380 -5.664 1.00 53.21 H new ATOM 0 HD21 LEU A 44 -8.256 -6.958 -6.472 1.00 44.15 H new ATOM 0 HD22 LEU A 44 -9.403 -6.386 -5.237 1.00 44.15 H new ATOM 0 HD23 LEU A 44 -7.687 -6.605 -4.823 1.00 44.15 H new ATOM 730 N MET A 45 -11.481 -9.351 -1.716 1.00 61.22 N ATOM 731 CA MET A 45 -12.498 -10.346 -1.272 1.00 51.51 C ATOM 732 C MET A 45 -13.901 -9.740 -1.347 1.00 4.23 C ATOM 733 O MET A 45 -14.862 -10.417 -1.656 1.00 34.13 O ATOM 734 CB MET A 45 -12.133 -10.678 0.174 1.00 72.52 C ATOM 735 CG MET A 45 -13.049 -11.790 0.690 1.00 14.14 C ATOM 736 SD MET A 45 -12.173 -12.770 1.936 1.00 22.44 S ATOM 737 CE MET A 45 -11.489 -14.016 0.813 1.00 22.44 C ATOM 0 H MET A 45 -10.742 -9.154 -1.041 1.00 61.22 H new ATOM 0 HA MET A 45 -12.503 -11.235 -1.902 1.00 51.51 H new ATOM 0 HB2 MET A 45 -11.091 -10.993 0.234 1.00 72.52 H new ATOM 0 HB3 MET A 45 -12.234 -9.790 0.799 1.00 72.52 H new ATOM 0 HG2 MET A 45 -13.953 -11.360 1.121 1.00 14.14 H new ATOM 0 HG3 MET A 45 -13.362 -12.429 -0.135 1.00 14.14 H new ATOM 0 HE1 MET A 45 -10.599 -14.459 1.260 1.00 22.44 H new ATOM 0 HE2 MET A 45 -12.232 -14.794 0.637 1.00 22.44 H new ATOM 0 HE3 MET A 45 -11.224 -13.546 -0.134 1.00 22.44 H new ATOM 747 N LYS A 46 -14.031 -8.469 -1.073 1.00 1.12 N ATOM 748 CA LYS A 46 -15.379 -7.834 -1.139 1.00 14.30 C ATOM 749 C LYS A 46 -16.086 -8.264 -2.426 1.00 32.10 C ATOM 750 O LYS A 46 -17.275 -8.513 -2.440 1.00 2.02 O ATOM 751 CB LYS A 46 -15.116 -6.326 -1.142 1.00 51.30 C ATOM 752 CG LYS A 46 -15.915 -5.668 -0.017 1.00 40.44 C ATOM 753 CD LYS A 46 -15.324 -4.292 0.297 1.00 1.30 C ATOM 754 CE LYS A 46 -16.451 -3.323 0.659 1.00 51.11 C ATOM 755 NZ LYS A 46 -17.085 -3.906 1.873 1.00 73.44 N ATOM 0 H LYS A 46 -13.267 -7.847 -0.808 1.00 1.12 H new ATOM 0 HA LYS A 46 -16.019 -8.124 -0.306 1.00 14.30 H new ATOM 0 HB2 LYS A 46 -14.052 -6.131 -1.009 1.00 51.30 H new ATOM 0 HB3 LYS A 46 -15.401 -5.898 -2.103 1.00 51.30 H new ATOM 0 HG2 LYS A 46 -16.960 -5.568 -0.310 1.00 40.44 H new ATOM 0 HG3 LYS A 46 -15.893 -6.296 0.874 1.00 40.44 H new ATOM 0 HD2 LYS A 46 -14.616 -4.368 1.123 1.00 1.30 H new ATOM 0 HD3 LYS A 46 -14.770 -3.917 -0.564 1.00 1.30 H new ATOM 0 HE2 LYS A 46 -16.064 -2.324 0.857 1.00 51.11 H new ATOM 0 HE3 LYS A 46 -17.169 -3.231 -0.156 1.00 51.11 H new ATOM 0 HZ1 LYS A 46 -17.577 -3.157 2.402 1.00 73.44 H new ATOM 0 HZ2 LYS A 46 -17.769 -4.637 1.591 1.00 73.44 H new ATOM 0 HZ3 LYS A 46 -16.353 -4.332 2.476 1.00 73.44 H new ATOM 769 N GLY A 47 -15.355 -8.362 -3.503 1.00 31.34 N ATOM 770 CA GLY A 47 -15.975 -8.788 -4.789 1.00 11.21 C ATOM 771 C GLY A 47 -16.093 -10.312 -4.801 1.00 2.20 C ATOM 772 O GLY A 47 -17.043 -10.868 -5.316 1.00 10.22 O ATOM 0 H GLY A 47 -14.355 -8.165 -3.547 1.00 31.34 H new ATOM 0 HA2 GLY A 47 -16.959 -8.333 -4.902 1.00 11.21 H new ATOM 0 HA3 GLY A 47 -15.369 -8.450 -5.630 1.00 11.21 H new ATOM 776 N PHE A 48 -15.135 -10.991 -4.231 1.00 43.24 N ATOM 777 CA PHE A 48 -15.193 -12.482 -4.197 1.00 12.52 C ATOM 778 C PHE A 48 -16.318 -12.938 -3.269 1.00 64.13 C ATOM 779 O PHE A 48 -17.083 -13.826 -3.592 1.00 51.42 O ATOM 780 CB PHE A 48 -13.832 -12.916 -3.648 1.00 63.22 C ATOM 781 CG PHE A 48 -13.443 -14.244 -4.253 1.00 1.41 C ATOM 782 CD1 PHE A 48 -14.355 -15.306 -4.257 1.00 30.34 C ATOM 783 CD2 PHE A 48 -12.169 -14.415 -4.810 1.00 52.04 C ATOM 784 CE1 PHE A 48 -13.994 -16.537 -4.818 1.00 11.05 C ATOM 785 CE2 PHE A 48 -11.810 -15.646 -5.372 1.00 73.40 C ATOM 786 CZ PHE A 48 -12.723 -16.705 -5.375 1.00 55.25 C ATOM 0 H PHE A 48 -14.314 -10.579 -3.787 1.00 43.24 H new ATOM 0 HA PHE A 48 -15.392 -12.915 -5.177 1.00 12.52 H new ATOM 0 HB2 PHE A 48 -13.078 -12.164 -3.880 1.00 63.22 H new ATOM 0 HB3 PHE A 48 -13.876 -12.998 -2.562 1.00 63.22 H new ATOM 0 HD1 PHE A 48 -15.337 -15.176 -3.827 1.00 30.34 H new ATOM 0 HD2 PHE A 48 -11.464 -13.597 -4.806 1.00 52.04 H new ATOM 0 HE1 PHE A 48 -14.697 -17.357 -4.820 1.00 11.05 H new ATOM 0 HE2 PHE A 48 -10.828 -15.778 -5.803 1.00 73.40 H new ATOM 0 HZ PHE A 48 -12.446 -17.655 -5.808 1.00 55.25 H new ATOM 796 N GLY A 49 -16.429 -12.333 -2.117 1.00 70.42 N ATOM 797 CA GLY A 49 -17.503 -12.724 -1.165 1.00 4.15 C ATOM 798 C GLY A 49 -17.196 -14.101 -0.576 1.00 71.30 C ATOM 799 O GLY A 49 -16.328 -14.251 0.260 1.00 31.22 O ATOM 0 H GLY A 49 -15.818 -11.582 -1.795 1.00 70.42 H new ATOM 0 HA2 GLY A 49 -17.581 -11.986 -0.367 1.00 4.15 H new ATOM 0 HA3 GLY A 49 -18.466 -12.743 -1.676 1.00 4.15 H new ATOM 803 N GLN A 50 -17.902 -15.110 -1.008 1.00 74.20 N ATOM 804 CA GLN A 50 -17.650 -16.480 -0.475 1.00 62.22 C ATOM 805 C GLN A 50 -17.011 -17.356 -1.555 1.00 61.14 C ATOM 806 O GLN A 50 -17.597 -17.582 -2.597 1.00 11.40 O ATOM 807 CB GLN A 50 -19.031 -17.016 -0.096 1.00 74.04 C ATOM 808 CG GLN A 50 -19.273 -16.795 1.398 1.00 61.15 C ATOM 809 CD GLN A 50 -19.199 -15.299 1.712 1.00 10.23 C ATOM 810 OE1 GLN A 50 -18.036 -14.745 1.920 1.00 64.02 O flip ATOM 811 NE2 GLN A 50 -20.210 -14.627 1.765 1.00 51.52 N flip ATOM 0 H GLN A 50 -18.642 -15.046 -1.707 1.00 74.20 H new ATOM 0 HA GLN A 50 -16.968 -16.475 0.375 1.00 62.22 H new ATOM 0 HB2 GLN A 50 -19.801 -16.510 -0.678 1.00 74.04 H new ATOM 0 HB3 GLN A 50 -19.098 -18.078 -0.333 1.00 74.04 H new ATOM 0 HG2 GLN A 50 -20.249 -17.189 1.681 1.00 61.15 H new ATOM 0 HG3 GLN A 50 -18.529 -17.337 1.982 1.00 61.15 H new ATOM 0 HE21 GLN A 50 -21.119 -15.060 1.602 1.00 51.52 H new ATOM 0 HE22 GLN A 50 -20.149 -13.630 1.972 1.00 51.52 H new ATOM 820 N PRO A 51 -15.825 -17.821 -1.272 1.00 30.03 N ATOM 821 CA PRO A 51 -15.097 -18.683 -2.234 1.00 35.10 C ATOM 822 C PRO A 51 -15.712 -20.085 -2.266 1.00 4.10 C ATOM 823 O PRO A 51 -16.241 -20.563 -1.282 1.00 33.21 O ATOM 824 CB PRO A 51 -13.679 -18.725 -1.677 1.00 4.51 C ATOM 825 CG PRO A 51 -13.828 -18.449 -0.215 1.00 1.11 C ATOM 826 CD PRO A 51 -15.056 -17.592 -0.044 1.00 4.13 C ATOM 0 HA PRO A 51 -15.136 -18.310 -3.258 1.00 35.10 H new ATOM 0 HB2 PRO A 51 -13.216 -19.696 -1.850 1.00 4.51 H new ATOM 0 HB3 PRO A 51 -13.045 -17.980 -2.157 1.00 4.51 H new ATOM 0 HG2 PRO A 51 -13.928 -19.380 0.344 1.00 1.11 H new ATOM 0 HG3 PRO A 51 -12.946 -17.938 0.172 1.00 1.11 H new ATOM 0 HD2 PRO A 51 -15.623 -17.880 0.841 1.00 4.13 H new ATOM 0 HD3 PRO A 51 -14.795 -16.540 0.073 1.00 4.13 H new ATOM 834 N GLN A 52 -15.643 -20.746 -3.387 1.00 64.24 N ATOM 835 CA GLN A 52 -16.221 -22.116 -3.482 1.00 34.10 C ATOM 836 C GLN A 52 -15.199 -23.071 -4.107 1.00 62.24 C ATOM 837 O GLN A 52 -14.287 -22.657 -4.792 1.00 21.12 O ATOM 838 CB GLN A 52 -17.443 -21.968 -4.387 1.00 12.22 C ATOM 839 CG GLN A 52 -18.349 -20.860 -3.850 1.00 20.43 C ATOM 840 CD GLN A 52 -18.626 -21.099 -2.365 1.00 22.43 C ATOM 841 OE1 GLN A 52 -18.711 -22.229 -1.926 1.00 31.12 O ATOM 842 NE2 GLN A 52 -18.775 -20.077 -1.568 1.00 22.13 N ATOM 0 H GLN A 52 -15.211 -20.397 -4.243 1.00 64.24 H new ATOM 0 HA GLN A 52 -16.487 -22.525 -2.507 1.00 34.10 H new ATOM 0 HB2 GLN A 52 -17.128 -21.733 -5.404 1.00 12.22 H new ATOM 0 HB3 GLN A 52 -17.991 -22.909 -4.432 1.00 12.22 H new ATOM 0 HG2 GLN A 52 -17.875 -19.889 -3.990 1.00 20.43 H new ATOM 0 HG3 GLN A 52 -19.286 -20.841 -4.407 1.00 20.43 H new ATOM 0 HE21 GLN A 52 -18.704 -19.128 -1.936 1.00 22.13 H new ATOM 0 HE22 GLN A 52 -18.963 -20.226 -0.577 1.00 22.13 H new ATOM 851 N LEU A 53 -15.344 -24.346 -3.872 1.00 71.03 N ATOM 852 CA LEU A 53 -14.377 -25.320 -4.450 1.00 52.32 C ATOM 853 C LEU A 53 -14.834 -25.761 -5.844 1.00 74.20 C ATOM 854 O LEU A 53 -15.674 -26.625 -5.990 1.00 72.14 O ATOM 855 CB LEU A 53 -14.385 -26.505 -3.485 1.00 51.21 C ATOM 856 CG LEU A 53 -13.039 -27.227 -3.556 1.00 22.30 C ATOM 857 CD1 LEU A 53 -12.811 -27.734 -4.980 1.00 45.11 C ATOM 858 CD2 LEU A 53 -11.918 -26.258 -3.173 1.00 42.24 C ATOM 0 H LEU A 53 -16.088 -24.754 -3.306 1.00 71.03 H new ATOM 0 HA LEU A 53 -13.381 -24.892 -4.565 1.00 52.32 H new ATOM 0 HB2 LEU A 53 -14.571 -26.159 -2.468 1.00 51.21 H new ATOM 0 HB3 LEU A 53 -15.192 -27.191 -3.741 1.00 51.21 H new ATOM 0 HG LEU A 53 -13.040 -28.070 -2.865 1.00 22.30 H new ATOM 0 HD11 LEU A 53 -11.852 -28.249 -5.034 1.00 45.11 H new ATOM 0 HD12 LEU A 53 -13.609 -28.424 -5.253 1.00 45.11 H new ATOM 0 HD13 LEU A 53 -12.809 -26.891 -5.671 1.00 45.11 H new ATOM 0 HD21 LEU A 53 -10.959 -26.773 -3.224 1.00 42.24 H new ATOM 0 HD22 LEU A 53 -11.914 -25.415 -3.864 1.00 42.24 H new ATOM 0 HD23 LEU A 53 -12.082 -25.895 -2.158 1.00 42.24 H new ATOM 870 N ALA A 54 -14.282 -25.172 -6.870 1.00 74.31 N ATOM 871 CA ALA A 54 -14.678 -25.559 -8.253 1.00 63.03 C ATOM 872 C ALA A 54 -13.694 -26.589 -8.809 1.00 23.23 C ATOM 873 O ALA A 54 -14.082 -27.589 -9.379 1.00 14.43 O ATOM 874 CB ALA A 54 -14.623 -24.261 -9.061 1.00 12.31 C ATOM 0 H ALA A 54 -13.574 -24.440 -6.810 1.00 74.31 H new ATOM 0 HA ALA A 54 -15.668 -26.014 -8.291 1.00 63.03 H new ATOM 0 HB1 ALA A 54 -14.903 -24.464 -10.095 1.00 12.31 H new ATOM 0 HB2 ALA A 54 -15.316 -23.536 -8.633 1.00 12.31 H new ATOM 0 HB3 ALA A 54 -13.611 -23.857 -9.032 1.00 12.31 H new ATOM 880 N MET A 55 -12.420 -26.349 -8.645 1.00 11.43 N ATOM 881 CA MET A 55 -11.407 -27.316 -9.157 1.00 44.04 C ATOM 882 C MET A 55 -10.137 -27.238 -8.307 1.00 34.20 C ATOM 883 O MET A 55 -9.660 -26.168 -7.980 1.00 30.30 O ATOM 884 CB MET A 55 -11.124 -26.876 -10.594 1.00 22.35 C ATOM 885 CG MET A 55 -10.689 -28.088 -11.422 1.00 63.45 C ATOM 886 SD MET A 55 -8.904 -28.013 -11.708 1.00 41.12 S ATOM 887 CE MET A 55 -8.969 -27.842 -13.507 1.00 31.21 C ATOM 0 H MET A 55 -12.038 -25.526 -8.179 1.00 11.43 H new ATOM 0 HA MET A 55 -11.758 -28.347 -9.114 1.00 44.04 H new ATOM 0 HB2 MET A 55 -12.016 -26.425 -11.030 1.00 22.35 H new ATOM 0 HB3 MET A 55 -10.344 -26.115 -10.606 1.00 22.35 H new ATOM 0 HG2 MET A 55 -10.946 -29.010 -10.900 1.00 63.45 H new ATOM 0 HG3 MET A 55 -11.220 -28.102 -12.374 1.00 63.45 H new ATOM 0 HE1 MET A 55 -7.956 -27.777 -13.903 1.00 31.21 H new ATOM 0 HE2 MET A 55 -9.472 -28.708 -13.937 1.00 31.21 H new ATOM 0 HE3 MET A 55 -9.519 -26.937 -13.767 1.00 31.21 H new ATOM 897 N ILE A 56 -9.586 -28.364 -7.943 1.00 53.52 N ATOM 898 CA ILE A 56 -8.348 -28.350 -7.113 1.00 74.43 C ATOM 899 C ILE A 56 -7.158 -28.859 -7.928 1.00 21.42 C ATOM 900 O ILE A 56 -7.230 -29.886 -8.574 1.00 33.45 O ATOM 901 CB ILE A 56 -8.640 -29.291 -5.945 1.00 22.43 C ATOM 902 CG1 ILE A 56 -9.932 -28.853 -5.250 1.00 3.13 C ATOM 903 CG2 ILE A 56 -7.484 -29.240 -4.945 1.00 1.53 C ATOM 904 CD1 ILE A 56 -10.304 -29.872 -4.172 1.00 20.12 C ATOM 0 H ILE A 56 -9.938 -29.290 -8.184 1.00 53.52 H new ATOM 0 HA ILE A 56 -8.093 -27.347 -6.772 1.00 74.43 H new ATOM 0 HB ILE A 56 -8.752 -30.309 -6.319 1.00 22.43 H new ATOM 0 HG12 ILE A 56 -9.801 -27.867 -4.803 1.00 3.13 H new ATOM 0 HG13 ILE A 56 -10.738 -28.768 -5.979 1.00 3.13 H new ATOM 0 HG21 ILE A 56 -7.693 -29.912 -4.112 1.00 1.53 H new ATOM 0 HG22 ILE A 56 -6.562 -29.550 -5.438 1.00 1.53 H new ATOM 0 HG23 ILE A 56 -7.371 -28.222 -4.571 1.00 1.53 H new ATOM 0 HD11 ILE A 56 -11.224 -29.559 -3.678 1.00 20.12 H new ATOM 0 HD12 ILE A 56 -10.453 -30.849 -4.631 1.00 20.12 H new ATOM 0 HD13 ILE A 56 -9.501 -29.935 -3.438 1.00 20.12 H new ATOM 916 N LEU A 57 -6.065 -28.150 -7.902 1.00 71.12 N ATOM 917 CA LEU A 57 -4.872 -28.590 -8.674 1.00 34.03 C ATOM 918 C LEU A 57 -4.060 -29.605 -7.856 1.00 2.41 C ATOM 919 O LEU A 57 -3.586 -29.298 -6.782 1.00 33.22 O ATOM 920 CB LEU A 57 -4.069 -27.315 -8.908 1.00 0.25 C ATOM 921 CG LEU A 57 -2.729 -27.666 -9.549 1.00 44.24 C ATOM 922 CD1 LEU A 57 -2.852 -27.568 -11.070 1.00 41.12 C ATOM 923 CD2 LEU A 57 -1.665 -26.688 -9.057 1.00 71.24 C ATOM 0 H LEU A 57 -5.947 -27.283 -7.378 1.00 71.12 H new ATOM 0 HA LEU A 57 -5.136 -29.081 -9.611 1.00 34.03 H new ATOM 0 HB2 LEU A 57 -4.626 -26.636 -9.553 1.00 0.25 H new ATOM 0 HB3 LEU A 57 -3.907 -26.796 -7.963 1.00 0.25 H new ATOM 0 HG LEU A 57 -2.445 -28.682 -9.275 1.00 44.24 H new ATOM 0 HD11 LEU A 57 -1.896 -27.818 -11.529 1.00 41.12 H new ATOM 0 HD12 LEU A 57 -3.615 -28.264 -11.419 1.00 41.12 H new ATOM 0 HD13 LEU A 57 -3.133 -26.552 -11.348 1.00 41.12 H new ATOM 0 HD21 LEU A 57 -0.706 -26.935 -9.512 1.00 71.24 H new ATOM 0 HD22 LEU A 57 -1.948 -25.673 -9.335 1.00 71.24 H new ATOM 0 HD23 LEU A 57 -1.581 -26.758 -7.973 1.00 71.24 H new ATOM 935 N PRO A 58 -3.941 -30.792 -8.395 1.00 1.41 N ATOM 936 CA PRO A 58 -3.196 -31.876 -7.707 1.00 21.43 C ATOM 937 C PRO A 58 -1.684 -31.640 -7.773 1.00 1.52 C ATOM 938 O PRO A 58 -1.200 -30.813 -8.521 1.00 64.35 O ATOM 939 CB PRO A 58 -3.570 -33.124 -8.497 1.00 55.34 C ATOM 940 CG PRO A 58 -3.942 -32.627 -9.854 1.00 0.23 C ATOM 941 CD PRO A 58 -4.490 -31.235 -9.678 1.00 11.24 C ATOM 0 HA PRO A 58 -3.444 -31.943 -6.648 1.00 21.43 H new ATOM 0 HB2 PRO A 58 -2.735 -33.823 -8.548 1.00 55.34 H new ATOM 0 HB3 PRO A 58 -4.401 -33.653 -8.029 1.00 55.34 H new ATOM 0 HG2 PRO A 58 -3.074 -32.619 -10.513 1.00 0.23 H new ATOM 0 HG3 PRO A 58 -4.685 -33.279 -10.313 1.00 0.23 H new ATOM 0 HD2 PRO A 58 -4.180 -30.579 -10.492 1.00 11.24 H new ATOM 0 HD3 PRO A 58 -5.580 -31.235 -9.666 1.00 11.24 H new ATOM 949 N LEU A 59 -0.939 -32.383 -7.002 1.00 35.25 N ATOM 950 CA LEU A 59 0.547 -32.238 -7.012 1.00 24.33 C ATOM 951 C LEU A 59 1.189 -33.543 -7.476 1.00 53.43 C ATOM 952 O LEU A 59 2.040 -34.098 -6.809 1.00 0.53 O ATOM 953 CB LEU A 59 0.950 -31.943 -5.567 1.00 10.45 C ATOM 954 CG LEU A 59 0.121 -32.793 -4.592 1.00 12.12 C ATOM 955 CD1 LEU A 59 0.363 -34.280 -4.853 1.00 23.41 C ATOM 956 CD2 LEU A 59 0.541 -32.460 -3.160 1.00 43.21 C ATOM 0 H LEU A 59 -1.297 -33.090 -6.360 1.00 35.25 H new ATOM 0 HA LEU A 59 0.871 -31.447 -7.688 1.00 24.33 H new ATOM 0 HB2 LEU A 59 2.011 -32.152 -5.429 1.00 10.45 H new ATOM 0 HB3 LEU A 59 0.803 -30.885 -5.351 1.00 10.45 H new ATOM 0 HG LEU A 59 -0.937 -32.574 -4.735 1.00 12.12 H new ATOM 0 HD11 LEU A 59 -0.230 -34.873 -4.156 1.00 23.41 H new ATOM 0 HD12 LEU A 59 0.071 -34.522 -5.875 1.00 23.41 H new ATOM 0 HD13 LEU A 59 1.420 -34.506 -4.714 1.00 23.41 H new ATOM 0 HD21 LEU A 59 -0.043 -33.059 -2.461 1.00 43.21 H new ATOM 0 HD22 LEU A 59 1.600 -32.681 -3.031 1.00 43.21 H new ATOM 0 HD23 LEU A 59 0.365 -31.402 -2.966 1.00 43.21 H new ATOM 968 N ASP A 60 0.788 -34.050 -8.604 1.00 1.13 N ATOM 969 CA ASP A 60 1.378 -35.331 -9.084 1.00 14.31 C ATOM 970 C ASP A 60 1.925 -35.170 -10.499 1.00 51.32 C ATOM 971 O ASP A 60 2.375 -36.117 -11.112 1.00 44.22 O ATOM 972 CB ASP A 60 0.224 -36.333 -9.064 1.00 45.01 C ATOM 973 CG ASP A 60 0.732 -37.683 -8.553 1.00 71.43 C ATOM 974 OD1 ASP A 60 1.277 -37.712 -7.462 1.00 55.03 O ATOM 975 OD2 ASP A 60 0.570 -38.663 -9.260 1.00 24.23 O ATOM 0 H ASP A 60 0.081 -33.638 -9.213 1.00 1.13 H new ATOM 0 HA ASP A 60 2.211 -35.657 -8.461 1.00 14.31 H new ATOM 0 HB2 ASP A 60 -0.578 -35.968 -8.423 1.00 45.01 H new ATOM 0 HB3 ASP A 60 -0.193 -36.444 -10.065 1.00 45.01 H new ATOM 980 N GLY A 61 1.888 -33.981 -11.024 1.00 40.44 N ATOM 981 CA GLY A 61 2.405 -33.773 -12.399 1.00 53.35 C ATOM 982 C GLY A 61 2.349 -32.290 -12.756 1.00 50.20 C ATOM 983 O GLY A 61 2.750 -31.435 -11.989 1.00 22.40 O ATOM 0 H GLY A 61 1.524 -33.148 -10.562 1.00 40.44 H new ATOM 0 HA2 GLY A 61 3.431 -34.135 -12.470 1.00 53.35 H new ATOM 0 HA3 GLY A 61 1.814 -34.350 -13.110 1.00 53.35 H new ATOM 987 N ARG A 62 1.858 -31.984 -13.920 1.00 61.10 N ATOM 988 CA ARG A 62 1.773 -30.557 -14.348 1.00 12.13 C ATOM 989 C ARG A 62 0.379 -30.251 -14.906 1.00 74.32 C ATOM 990 O ARG A 62 -0.133 -30.966 -15.743 1.00 11.21 O ATOM 991 CB ARG A 62 2.834 -30.407 -15.443 1.00 54.32 C ATOM 992 CG ARG A 62 4.169 -30.973 -14.952 1.00 42.32 C ATOM 993 CD ARG A 62 5.262 -29.912 -15.104 1.00 50.42 C ATOM 994 NE ARG A 62 6.027 -30.315 -16.316 1.00 21.41 N ATOM 995 CZ ARG A 62 6.342 -29.421 -17.215 1.00 40.43 C ATOM 996 NH1 ARG A 62 5.403 -28.795 -17.870 1.00 3.25 N ATOM 997 NH2 ARG A 62 7.595 -29.155 -17.460 1.00 44.14 N ATOM 0 H ARG A 62 1.509 -32.661 -14.599 1.00 61.10 H new ATOM 0 HA ARG A 62 1.940 -29.868 -13.520 1.00 12.13 H new ATOM 0 HB2 ARG A 62 2.516 -30.931 -16.345 1.00 54.32 H new ATOM 0 HB3 ARG A 62 2.950 -29.356 -15.709 1.00 54.32 H new ATOM 0 HG2 ARG A 62 4.085 -31.277 -13.909 1.00 42.32 H new ATOM 0 HG3 ARG A 62 4.430 -31.864 -15.523 1.00 42.32 H new ATOM 0 HD2 ARG A 62 4.832 -28.917 -15.222 1.00 50.42 H new ATOM 0 HD3 ARG A 62 5.905 -29.879 -14.225 1.00 50.42 H new ATOM 0 HE ARG A 62 6.305 -31.288 -16.444 1.00 21.41 H new ATOM 0 HH11 ARG A 62 4.423 -29.004 -17.680 1.00 3.25 H new ATOM 0 HH12 ARG A 62 5.649 -28.097 -18.572 1.00 3.25 H new ATOM 0 HH21 ARG A 62 8.330 -29.645 -16.950 1.00 44.14 H new ATOM 0 HH22 ARG A 62 7.840 -28.457 -18.162 1.00 44.14 H new ATOM 1011 N LYS A 63 -0.235 -29.192 -14.455 1.00 2.13 N ATOM 1012 CA LYS A 63 -1.590 -28.841 -14.972 1.00 0.24 C ATOM 1013 C LYS A 63 -1.624 -27.374 -15.409 1.00 5.12 C ATOM 1014 O LYS A 63 -1.517 -26.473 -14.599 1.00 32.24 O ATOM 1015 CB LYS A 63 -2.543 -29.075 -13.801 1.00 61.01 C ATOM 1016 CG LYS A 63 -3.830 -29.729 -14.310 1.00 73.41 C ATOM 1017 CD LYS A 63 -3.534 -31.162 -14.758 1.00 74.01 C ATOM 1018 CE LYS A 63 -3.333 -32.050 -13.527 1.00 31.14 C ATOM 1019 NZ LYS A 63 -4.390 -33.095 -13.632 1.00 62.22 N ATOM 0 H LYS A 63 0.141 -28.555 -13.752 1.00 2.13 H new ATOM 0 HA LYS A 63 -1.865 -29.439 -15.841 1.00 0.24 H new ATOM 0 HB2 LYS A 63 -2.069 -29.713 -13.055 1.00 61.01 H new ATOM 0 HB3 LYS A 63 -2.773 -28.129 -13.311 1.00 61.01 H new ATOM 0 HG2 LYS A 63 -4.585 -29.732 -13.523 1.00 73.41 H new ATOM 0 HG3 LYS A 63 -4.238 -29.154 -15.141 1.00 73.41 H new ATOM 0 HD2 LYS A 63 -4.357 -31.542 -15.364 1.00 74.01 H new ATOM 0 HD3 LYS A 63 -2.642 -31.182 -15.384 1.00 74.01 H new ATOM 0 HE2 LYS A 63 -2.338 -32.494 -13.518 1.00 31.14 H new ATOM 0 HE3 LYS A 63 -3.434 -31.477 -12.605 1.00 31.14 H new ATOM 0 HZ1 LYS A 63 -4.318 -33.744 -12.823 1.00 62.22 H new ATOM 0 HZ2 LYS A 63 -5.327 -32.643 -13.631 1.00 62.22 H new ATOM 0 HZ3 LYS A 63 -4.264 -33.629 -14.516 1.00 62.22 H new ATOM 1033 N LYS A 64 -1.768 -27.127 -16.682 1.00 52.52 N ATOM 1034 CA LYS A 64 -1.804 -25.715 -17.167 1.00 22.40 C ATOM 1035 C LYS A 64 -3.220 -25.142 -17.040 1.00 4.21 C ATOM 1036 O LYS A 64 -4.197 -25.814 -17.303 1.00 72.32 O ATOM 1037 CB LYS A 64 -1.389 -25.794 -18.638 1.00 52.43 C ATOM 1038 CG LYS A 64 -0.155 -26.689 -18.773 1.00 35.21 C ATOM 1039 CD LYS A 64 0.513 -26.433 -20.124 1.00 21.22 C ATOM 1040 CE LYS A 64 -0.493 -26.693 -21.250 1.00 54.21 C ATOM 1041 NZ LYS A 64 -1.223 -25.404 -21.431 1.00 45.12 N ATOM 0 H LYS A 64 -1.862 -27.838 -17.407 1.00 52.52 H new ATOM 0 HA LYS A 64 -1.148 -25.064 -16.589 1.00 22.40 H new ATOM 0 HB2 LYS A 64 -2.208 -26.193 -19.237 1.00 52.43 H new ATOM 0 HB3 LYS A 64 -1.171 -24.796 -19.020 1.00 52.43 H new ATOM 0 HG2 LYS A 64 0.546 -26.485 -17.964 1.00 35.21 H new ATOM 0 HG3 LYS A 64 -0.442 -27.737 -18.690 1.00 35.21 H new ATOM 0 HD2 LYS A 64 0.874 -25.406 -20.174 1.00 21.22 H new ATOM 0 HD3 LYS A 64 1.381 -27.082 -20.241 1.00 21.22 H new ATOM 0 HE2 LYS A 64 0.013 -26.991 -22.168 1.00 54.21 H new ATOM 0 HE3 LYS A 64 -1.178 -27.499 -20.987 1.00 54.21 H new ATOM 0 HZ1 LYS A 64 -2.181 -25.489 -21.035 1.00 45.12 H new ATOM 0 HZ2 LYS A 64 -0.711 -24.643 -20.940 1.00 45.12 H new ATOM 0 HZ3 LYS A 64 -1.286 -25.180 -22.445 1.00 45.12 H new ATOM 1055 N LEU A 65 -3.337 -23.905 -16.641 1.00 0.30 N ATOM 1056 CA LEU A 65 -4.689 -23.290 -16.502 1.00 73.31 C ATOM 1057 C LEU A 65 -4.869 -22.179 -17.539 1.00 0.31 C ATOM 1058 O LEU A 65 -3.948 -21.815 -18.242 1.00 63.32 O ATOM 1059 CB LEU A 65 -4.724 -22.713 -15.085 1.00 2.54 C ATOM 1060 CG LEU A 65 -5.101 -23.816 -14.095 1.00 11.13 C ATOM 1061 CD1 LEU A 65 -3.984 -24.857 -14.039 1.00 22.24 C ATOM 1062 CD2 LEU A 65 -5.298 -23.207 -12.706 1.00 54.40 C ATOM 0 H LEU A 65 -2.556 -23.293 -16.405 1.00 0.30 H new ATOM 0 HA LEU A 65 -5.489 -24.012 -16.664 1.00 73.31 H new ATOM 0 HB2 LEU A 65 -3.751 -22.295 -14.827 1.00 2.54 H new ATOM 0 HB3 LEU A 65 -5.446 -21.898 -15.030 1.00 2.54 H new ATOM 0 HG LEU A 65 -6.026 -24.293 -14.419 1.00 11.13 H new ATOM 0 HD11 LEU A 65 -4.254 -25.643 -13.333 1.00 22.24 H new ATOM 0 HD12 LEU A 65 -3.842 -25.291 -15.028 1.00 22.24 H new ATOM 0 HD13 LEU A 65 -3.059 -24.381 -13.715 1.00 22.24 H new ATOM 0 HD21 LEU A 65 -5.567 -23.992 -11.999 1.00 54.40 H new ATOM 0 HD22 LEU A 65 -4.373 -22.730 -12.383 1.00 54.40 H new ATOM 0 HD23 LEU A 65 -6.095 -22.465 -12.744 1.00 54.40 H new ATOM 1074 N VAL A 66 -6.054 -21.638 -17.643 1.00 40.52 N ATOM 1075 CA VAL A 66 -6.293 -20.555 -18.637 1.00 71.42 C ATOM 1076 C VAL A 66 -6.755 -19.276 -17.931 1.00 54.44 C ATOM 1077 O VAL A 66 -7.134 -18.312 -18.565 1.00 50.12 O ATOM 1078 CB VAL A 66 -7.398 -21.095 -19.541 1.00 13.14 C ATOM 1079 CG1 VAL A 66 -6.920 -22.378 -20.222 1.00 4.23 C ATOM 1080 CG2 VAL A 66 -8.639 -21.399 -18.699 1.00 71.23 C ATOM 0 H VAL A 66 -6.865 -21.900 -17.083 1.00 40.52 H new ATOM 0 HA VAL A 66 -5.392 -20.299 -19.195 1.00 71.42 H new ATOM 0 HB VAL A 66 -7.643 -20.351 -20.299 1.00 13.14 H new ATOM 0 HG11 VAL A 66 -7.709 -22.763 -20.867 1.00 4.23 H new ATOM 0 HG12 VAL A 66 -6.034 -22.164 -20.820 1.00 4.23 H new ATOM 0 HG13 VAL A 66 -6.675 -23.122 -19.464 1.00 4.23 H new ATOM 0 HG21 VAL A 66 -9.430 -21.785 -19.342 1.00 71.23 H new ATOM 0 HG22 VAL A 66 -8.392 -22.143 -17.942 1.00 71.23 H new ATOM 0 HG23 VAL A 66 -8.981 -20.486 -18.212 1.00 71.23 H new ATOM 1090 N ASN A 67 -6.731 -19.262 -16.627 1.00 44.24 N ATOM 1091 CA ASN A 67 -7.175 -18.042 -15.890 1.00 44.13 C ATOM 1092 C ASN A 67 -6.002 -17.426 -15.121 1.00 72.31 C ATOM 1093 O ASN A 67 -5.719 -16.251 -15.243 1.00 3.02 O ATOM 1094 CB ASN A 67 -8.252 -18.533 -14.921 1.00 63.43 C ATOM 1095 CG ASN A 67 -9.392 -19.192 -15.705 1.00 51.31 C ATOM 1096 OD1 ASN A 67 -9.626 -18.820 -16.934 1.00 25.24 O flip ATOM 1097 ND2 ASN A 67 -10.076 -20.054 -15.189 1.00 23.10 N flip ATOM 0 H ASN A 67 -6.425 -20.038 -16.040 1.00 44.24 H new ATOM 0 HA ASN A 67 -7.551 -17.271 -16.562 1.00 44.13 H new ATOM 0 HB2 ASN A 67 -7.823 -19.246 -14.216 1.00 63.43 H new ATOM 0 HB3 ASN A 67 -8.636 -17.698 -14.336 1.00 63.43 H new ATOM 0 HD21 ASN A 67 -9.892 -20.344 -14.229 1.00 23.10 H new ATOM 0 HD22 ASN A 67 -10.834 -20.488 -15.716 1.00 23.10 H new ATOM 1104 N ALA A 68 -5.320 -18.207 -14.327 1.00 65.01 N ATOM 1105 CA ALA A 68 -4.173 -17.655 -13.553 1.00 73.53 C ATOM 1106 C ALA A 68 -2.911 -18.477 -13.803 1.00 12.14 C ATOM 1107 O ALA A 68 -2.973 -19.647 -14.123 1.00 12.22 O ATOM 1108 CB ALA A 68 -4.597 -17.770 -12.090 1.00 73.44 C ATOM 0 H ALA A 68 -5.507 -19.199 -14.182 1.00 65.01 H new ATOM 0 HA ALA A 68 -3.943 -16.629 -13.839 1.00 73.53 H new ATOM 0 HB1 ALA A 68 -3.804 -17.383 -11.450 1.00 73.44 H new ATOM 0 HB2 ALA A 68 -5.508 -17.193 -11.929 1.00 73.44 H new ATOM 0 HB3 ALA A 68 -4.782 -18.816 -11.846 1.00 73.44 H new ATOM 1114 N ASP A 69 -1.765 -17.878 -13.644 1.00 32.42 N ATOM 1115 CA ASP A 69 -0.501 -18.631 -13.859 1.00 21.11 C ATOM 1116 C ASP A 69 -0.027 -19.218 -12.531 1.00 61.13 C ATOM 1117 O ASP A 69 0.397 -18.508 -11.639 1.00 35.14 O ATOM 1118 CB ASP A 69 0.499 -17.597 -14.376 1.00 23.43 C ATOM 1119 CG ASP A 69 0.189 -17.271 -15.839 1.00 53.44 C ATOM 1120 OD1 ASP A 69 -0.833 -17.726 -16.322 1.00 15.03 O ATOM 1121 OD2 ASP A 69 0.981 -16.573 -16.448 1.00 11.44 O ATOM 0 H ASP A 69 -1.650 -16.901 -13.375 1.00 32.42 H new ATOM 0 HA ASP A 69 -0.620 -19.458 -14.559 1.00 21.11 H new ATOM 0 HB2 ASP A 69 0.446 -16.691 -13.772 1.00 23.43 H new ATOM 0 HB3 ASP A 69 1.515 -17.982 -14.286 1.00 23.43 H new ATOM 1126 N ILE A 70 -0.101 -20.507 -12.392 1.00 31.04 N ATOM 1127 CA ILE A 70 0.337 -21.150 -11.121 1.00 73.34 C ATOM 1128 C ILE A 70 1.686 -20.572 -10.672 1.00 73.14 C ATOM 1129 O ILE A 70 1.985 -20.506 -9.495 1.00 11.14 O ATOM 1130 CB ILE A 70 0.427 -22.652 -11.453 1.00 44.01 C ATOM 1131 CG1 ILE A 70 -0.210 -23.456 -10.318 1.00 52.21 C ATOM 1132 CG2 ILE A 70 1.886 -23.092 -11.629 1.00 2.13 C ATOM 1133 CD1 ILE A 70 0.391 -23.016 -8.982 1.00 63.33 C ATOM 0 H ILE A 70 -0.447 -21.149 -13.105 1.00 31.04 H new ATOM 0 HA ILE A 70 -0.350 -20.972 -10.293 1.00 73.34 H new ATOM 0 HB ILE A 70 -0.102 -22.832 -12.389 1.00 44.01 H new ATOM 0 HG12 ILE A 70 -1.289 -23.304 -10.311 1.00 52.21 H new ATOM 0 HG13 ILE A 70 -0.039 -24.521 -10.472 1.00 52.21 H new ATOM 0 HG21 ILE A 70 1.919 -24.156 -11.863 1.00 2.13 H new ATOM 0 HG22 ILE A 70 2.341 -22.527 -12.443 1.00 2.13 H new ATOM 0 HG23 ILE A 70 2.436 -22.906 -10.707 1.00 2.13 H new ATOM 0 HD11 ILE A 70 -0.063 -23.588 -8.173 1.00 63.33 H new ATOM 0 HD12 ILE A 70 1.467 -23.191 -8.992 1.00 63.33 H new ATOM 0 HD13 ILE A 70 0.198 -21.954 -8.828 1.00 63.33 H new ATOM 1145 N GLU A 71 2.502 -20.151 -11.601 1.00 24.01 N ATOM 1146 CA GLU A 71 3.824 -19.578 -11.225 1.00 55.13 C ATOM 1147 C GLU A 71 3.627 -18.322 -10.372 1.00 4.44 C ATOM 1148 O GLU A 71 4.198 -18.186 -9.308 1.00 11.50 O ATOM 1149 CB GLU A 71 4.500 -19.228 -12.551 1.00 63.45 C ATOM 1150 CG GLU A 71 5.479 -20.341 -12.933 1.00 31.01 C ATOM 1151 CD GLU A 71 6.584 -19.761 -13.817 1.00 54.35 C ATOM 1152 OE1 GLU A 71 6.321 -19.518 -14.982 1.00 21.55 O ATOM 1153 OE2 GLU A 71 7.680 -19.571 -13.312 1.00 33.13 O ATOM 0 H GLU A 71 2.309 -20.180 -12.602 1.00 24.01 H new ATOM 0 HA GLU A 71 4.424 -20.272 -10.637 1.00 55.13 H new ATOM 0 HB2 GLU A 71 3.750 -19.104 -13.332 1.00 63.45 H new ATOM 0 HB3 GLU A 71 5.028 -18.279 -12.463 1.00 63.45 H new ATOM 0 HG2 GLU A 71 5.911 -20.785 -12.036 1.00 31.01 H new ATOM 0 HG3 GLU A 71 4.954 -21.137 -13.462 1.00 31.01 H new ATOM 1160 N LYS A 72 2.818 -17.406 -10.828 1.00 1.13 N ATOM 1161 CA LYS A 72 2.581 -16.165 -10.039 1.00 43.23 C ATOM 1162 C LYS A 72 1.950 -16.522 -8.690 1.00 54.30 C ATOM 1163 O LYS A 72 2.030 -15.775 -7.736 1.00 13.31 O ATOM 1164 CB LYS A 72 1.609 -15.339 -10.881 1.00 75.10 C ATOM 1165 CG LYS A 72 2.384 -14.565 -11.949 1.00 43.15 C ATOM 1166 CD LYS A 72 2.210 -13.062 -11.717 1.00 32.43 C ATOM 1167 CE LYS A 72 3.536 -12.461 -11.253 1.00 51.02 C ATOM 1168 NZ LYS A 72 3.483 -11.034 -11.680 1.00 32.23 N ATOM 0 H LYS A 72 2.312 -17.463 -11.712 1.00 1.13 H new ATOM 0 HA LYS A 72 3.502 -15.620 -9.832 1.00 43.23 H new ATOM 0 HB2 LYS A 72 0.875 -15.992 -11.352 1.00 75.10 H new ATOM 0 HB3 LYS A 72 1.058 -14.647 -10.244 1.00 75.10 H new ATOM 0 HG2 LYS A 72 3.441 -14.830 -11.910 1.00 43.15 H new ATOM 0 HG3 LYS A 72 2.024 -14.835 -12.942 1.00 43.15 H new ATOM 0 HD2 LYS A 72 1.881 -12.577 -12.636 1.00 32.43 H new ATOM 0 HD3 LYS A 72 1.437 -12.886 -10.969 1.00 32.43 H new ATOM 0 HE2 LYS A 72 3.651 -12.546 -10.172 1.00 51.02 H new ATOM 0 HE3 LYS A 72 4.383 -12.977 -11.705 1.00 51.02 H new ATOM 0 HZ1 LYS A 72 4.361 -10.554 -11.396 1.00 32.23 H new ATOM 0 HZ2 LYS A 72 3.380 -10.985 -12.714 1.00 32.23 H new ATOM 0 HZ3 LYS A 72 2.671 -10.566 -11.229 1.00 32.23 H new ATOM 1182 N VAL A 73 1.322 -17.663 -8.609 1.00 1.31 N ATOM 1183 CA VAL A 73 0.683 -18.079 -7.329 1.00 44.25 C ATOM 1184 C VAL A 73 1.743 -18.594 -6.351 1.00 53.51 C ATOM 1185 O VAL A 73 1.613 -18.454 -5.149 1.00 23.34 O ATOM 1186 CB VAL A 73 -0.282 -19.199 -7.718 1.00 32.01 C ATOM 1187 CG1 VAL A 73 -1.213 -19.505 -6.544 1.00 4.21 C ATOM 1188 CG2 VAL A 73 -1.116 -18.756 -8.924 1.00 23.44 C ATOM 0 H VAL A 73 1.224 -18.327 -9.377 1.00 1.31 H new ATOM 0 HA VAL A 73 0.171 -17.254 -6.833 1.00 44.25 H new ATOM 0 HB VAL A 73 0.286 -20.093 -7.974 1.00 32.01 H new ATOM 0 HG11 VAL A 73 -1.900 -20.304 -6.823 1.00 4.21 H new ATOM 0 HG12 VAL A 73 -0.622 -19.819 -5.683 1.00 4.21 H new ATOM 0 HG13 VAL A 73 -1.781 -18.611 -6.287 1.00 4.21 H new ATOM 0 HG21 VAL A 73 -1.805 -19.554 -9.203 1.00 23.44 H new ATOM 0 HG22 VAL A 73 -1.682 -17.861 -8.666 1.00 23.44 H new ATOM 0 HG23 VAL A 73 -0.455 -18.538 -9.763 1.00 23.44 H new ATOM 1198 N LYS A 74 2.795 -19.184 -6.852 1.00 2.33 N ATOM 1199 CA LYS A 74 3.863 -19.703 -5.950 1.00 1.31 C ATOM 1200 C LYS A 74 4.364 -18.589 -5.031 1.00 22.31 C ATOM 1201 O LYS A 74 4.352 -18.712 -3.823 1.00 54.31 O ATOM 1202 CB LYS A 74 4.982 -20.165 -6.886 1.00 41.20 C ATOM 1203 CG LYS A 74 4.495 -21.351 -7.718 1.00 51.03 C ATOM 1204 CD LYS A 74 4.257 -22.556 -6.803 1.00 32.43 C ATOM 1205 CE LYS A 74 2.768 -22.914 -6.814 1.00 33.24 C ATOM 1206 NZ LYS A 74 2.661 -24.168 -6.012 1.00 12.41 N ATOM 0 H LYS A 74 2.961 -19.329 -7.848 1.00 2.33 H new ATOM 0 HA LYS A 74 3.506 -20.510 -5.310 1.00 1.31 H new ATOM 0 HB2 LYS A 74 5.283 -19.347 -7.541 1.00 41.20 H new ATOM 0 HB3 LYS A 74 5.860 -20.450 -6.307 1.00 41.20 H new ATOM 0 HG2 LYS A 74 3.574 -21.089 -8.239 1.00 51.03 H new ATOM 0 HG3 LYS A 74 5.233 -21.601 -8.481 1.00 51.03 H new ATOM 0 HD2 LYS A 74 4.850 -23.406 -7.141 1.00 32.43 H new ATOM 0 HD3 LYS A 74 4.580 -22.326 -5.788 1.00 32.43 H new ATOM 0 HE2 LYS A 74 2.168 -22.115 -6.378 1.00 33.24 H new ATOM 0 HE3 LYS A 74 2.407 -23.065 -7.831 1.00 33.24 H new ATOM 0 HZ1 LYS A 74 1.673 -24.492 -6.004 1.00 12.41 H new ATOM 0 HZ2 LYS A 74 3.263 -24.903 -6.435 1.00 12.41 H new ATOM 0 HZ3 LYS A 74 2.973 -23.984 -5.037 1.00 12.41 H new ATOM 1220 N GLN A 75 4.805 -17.498 -5.597 1.00 63.24 N ATOM 1221 CA GLN A 75 5.311 -16.374 -4.758 1.00 31.51 C ATOM 1222 C GLN A 75 4.197 -15.837 -3.859 1.00 45.11 C ATOM 1223 O GLN A 75 4.439 -15.090 -2.932 1.00 51.54 O ATOM 1224 CB GLN A 75 5.765 -15.307 -5.756 1.00 64.15 C ATOM 1225 CG GLN A 75 4.599 -14.931 -6.676 1.00 33.30 C ATOM 1226 CD GLN A 75 3.791 -13.798 -6.043 1.00 74.44 C ATOM 1227 OE1 GLN A 75 2.535 -13.995 -5.746 1.00 12.32 O flip ATOM 1228 NE2 GLN A 75 4.305 -12.720 -5.817 1.00 21.33 N flip ATOM 0 H GLN A 75 4.837 -17.337 -6.604 1.00 63.24 H new ATOM 0 HA GLN A 75 6.122 -16.684 -4.099 1.00 31.51 H new ATOM 0 HB2 GLN A 75 6.120 -14.425 -5.223 1.00 64.15 H new ATOM 0 HB3 GLN A 75 6.601 -15.680 -6.347 1.00 64.15 H new ATOM 0 HG2 GLN A 75 4.977 -14.621 -7.650 1.00 33.30 H new ATOM 0 HG3 GLN A 75 3.960 -15.798 -6.843 1.00 33.30 H new ATOM 0 HE21 GLN A 75 5.286 -12.564 -6.048 1.00 21.33 H new ATOM 0 HE22 GLN A 75 3.755 -11.971 -5.396 1.00 21.33 H new ATOM 1237 N ALA A 76 2.975 -16.211 -4.122 1.00 21.41 N ATOM 1238 CA ALA A 76 1.848 -15.723 -3.277 1.00 41.41 C ATOM 1239 C ALA A 76 1.582 -16.710 -2.138 1.00 73.03 C ATOM 1240 O ALA A 76 1.415 -16.326 -0.998 1.00 40.31 O ATOM 1241 CB ALA A 76 0.644 -15.653 -4.213 1.00 23.30 C ATOM 0 H ALA A 76 2.708 -16.833 -4.885 1.00 21.41 H new ATOM 0 HA ALA A 76 2.063 -14.756 -2.822 1.00 41.41 H new ATOM 0 HB1 ALA A 76 -0.227 -15.301 -3.660 1.00 23.30 H new ATOM 0 HB2 ALA A 76 0.858 -14.964 -5.030 1.00 23.30 H new ATOM 0 HB3 ALA A 76 0.440 -16.644 -4.618 1.00 23.30 H new ATOM 1247 N LEU A 77 1.544 -17.980 -2.440 1.00 31.35 N ATOM 1248 CA LEU A 77 1.293 -18.991 -1.373 1.00 4.31 C ATOM 1249 C LEU A 77 2.549 -19.173 -0.517 1.00 42.51 C ATOM 1250 O LEU A 77 2.477 -19.533 0.641 1.00 41.11 O ATOM 1251 CB LEU A 77 0.957 -20.282 -2.121 1.00 75.23 C ATOM 1252 CG LEU A 77 -0.226 -20.036 -3.059 1.00 11.22 C ATOM 1253 CD1 LEU A 77 -0.634 -21.353 -3.725 1.00 51.42 C ATOM 1254 CD2 LEU A 77 -1.408 -19.486 -2.257 1.00 60.05 C ATOM 0 H LEU A 77 1.676 -18.360 -3.377 1.00 31.35 H new ATOM 0 HA LEU A 77 0.490 -18.693 -0.699 1.00 4.31 H new ATOM 0 HB2 LEU A 77 1.822 -20.620 -2.691 1.00 75.23 H new ATOM 0 HB3 LEU A 77 0.714 -21.073 -1.412 1.00 75.23 H new ATOM 0 HG LEU A 77 0.063 -19.315 -3.824 1.00 11.22 H new ATOM 0 HD11 LEU A 77 -1.477 -21.177 -4.393 1.00 51.42 H new ATOM 0 HD12 LEU A 77 0.206 -21.747 -4.297 1.00 51.42 H new ATOM 0 HD13 LEU A 77 -0.922 -22.074 -2.960 1.00 51.42 H new ATOM 0 HD21 LEU A 77 -2.251 -19.311 -2.925 1.00 60.05 H new ATOM 0 HD22 LEU A 77 -1.695 -20.207 -1.492 1.00 60.05 H new ATOM 0 HD23 LEU A 77 -1.120 -18.548 -1.782 1.00 60.05 H new ATOM 1266 N THR A 78 3.700 -18.924 -1.080 1.00 11.00 N ATOM 1267 CA THR A 78 4.961 -19.079 -0.298 1.00 44.21 C ATOM 1268 C THR A 78 5.183 -17.850 0.588 1.00 40.55 C ATOM 1269 O THR A 78 5.744 -17.940 1.662 1.00 31.13 O ATOM 1270 CB THR A 78 6.067 -19.190 -1.347 1.00 21.42 C ATOM 1271 OG1 THR A 78 7.276 -19.589 -0.716 1.00 43.21 O ATOM 1272 CG2 THR A 78 6.269 -17.833 -2.025 1.00 1.31 C ATOM 0 H THR A 78 3.822 -18.620 -2.046 1.00 11.00 H new ATOM 0 HA THR A 78 4.937 -19.948 0.360 1.00 44.21 H new ATOM 0 HB THR A 78 5.784 -19.930 -2.096 1.00 21.42 H new ATOM 0 HG1 THR A 78 7.986 -19.662 -1.387 1.00 43.21 H new ATOM 0 HG21 THR A 78 7.058 -17.914 -2.773 1.00 1.31 H new ATOM 0 HG22 THR A 78 5.341 -17.526 -2.508 1.00 1.31 H new ATOM 0 HG23 THR A 78 6.552 -17.091 -1.278 1.00 1.31 H new ATOM 1280 N GLU A 79 4.749 -16.703 0.144 1.00 11.01 N ATOM 1281 CA GLU A 79 4.935 -15.467 0.958 1.00 71.20 C ATOM 1282 C GLU A 79 3.705 -15.227 1.837 1.00 22.52 C ATOM 1283 O GLU A 79 3.813 -14.999 3.025 1.00 23.15 O ATOM 1284 CB GLU A 79 5.099 -14.343 -0.063 1.00 73.50 C ATOM 1285 CG GLU A 79 6.427 -14.515 -0.803 1.00 12.45 C ATOM 1286 CD GLU A 79 7.373 -13.373 -0.430 1.00 5.12 C ATOM 1287 OE1 GLU A 79 7.151 -12.760 0.601 1.00 44.30 O ATOM 1288 OE2 GLU A 79 8.303 -13.130 -1.181 1.00 2.34 O ATOM 0 H GLU A 79 4.273 -16.567 -0.748 1.00 11.01 H new ATOM 0 HA GLU A 79 5.793 -15.534 1.627 1.00 71.20 H new ATOM 0 HB2 GLU A 79 4.271 -14.358 -0.772 1.00 73.50 H new ATOM 0 HB3 GLU A 79 5.072 -13.375 0.438 1.00 73.50 H new ATOM 0 HG2 GLU A 79 6.878 -15.473 -0.544 1.00 12.45 H new ATOM 0 HG3 GLU A 79 6.257 -14.523 -1.880 1.00 12.45 H new ATOM 1295 N GLN A 80 2.536 -15.276 1.262 1.00 15.24 N ATOM 1296 CA GLN A 80 1.297 -15.051 2.065 1.00 72.33 C ATOM 1297 C GLN A 80 0.604 -16.392 2.321 1.00 4.34 C ATOM 1298 O GLN A 80 0.369 -16.780 3.449 1.00 32.23 O ATOM 1299 CB GLN A 80 0.395 -14.155 1.209 1.00 12.14 C ATOM 1300 CG GLN A 80 1.228 -13.120 0.443 1.00 52.42 C ATOM 1301 CD GLN A 80 0.374 -12.507 -0.667 1.00 32.45 C ATOM 1302 OE1 GLN A 80 -0.349 -13.289 -1.421 1.00 4.44 O flip ATOM 1303 NE2 GLN A 80 0.367 -11.307 -0.850 1.00 34.23 N flip ATOM 0 H GLN A 80 2.383 -15.462 0.271 1.00 15.24 H new ATOM 0 HA GLN A 80 1.517 -14.592 3.029 1.00 72.33 H new ATOM 0 HB2 GLN A 80 -0.171 -14.766 0.506 1.00 12.14 H new ATOM 0 HB3 GLN A 80 -0.330 -13.647 1.845 1.00 12.14 H new ATOM 0 HG2 GLN A 80 1.576 -12.342 1.122 1.00 52.42 H new ATOM 0 HG3 GLN A 80 2.114 -13.592 0.018 1.00 52.42 H new ATOM 0 HE21 GLN A 80 0.933 -10.698 -0.259 1.00 34.23 H new ATOM 0 HE22 GLN A 80 -0.205 -10.908 -1.594 1.00 34.23 H new ATOM 1312 N GLY A 81 0.279 -17.100 1.274 1.00 31.12 N ATOM 1313 CA GLY A 81 -0.398 -18.416 1.439 1.00 73.34 C ATOM 1314 C GLY A 81 -1.677 -18.440 0.603 1.00 11.23 C ATOM 1315 O GLY A 81 -2.421 -19.402 0.616 1.00 21.41 O ATOM 0 H GLY A 81 0.454 -16.822 0.308 1.00 31.12 H new ATOM 0 HA2 GLY A 81 0.268 -19.221 1.128 1.00 73.34 H new ATOM 0 HA3 GLY A 81 -0.634 -18.586 2.489 1.00 73.34 H new ATOM 1319 N TYR A 82 -1.941 -17.391 -0.130 1.00 44.22 N ATOM 1320 CA TYR A 82 -3.171 -17.356 -0.973 1.00 44.11 C ATOM 1321 C TYR A 82 -2.949 -16.438 -2.175 1.00 14.12 C ATOM 1322 O TYR A 82 -2.244 -15.451 -2.095 1.00 23.43 O ATOM 1323 CB TYR A 82 -4.288 -16.790 -0.078 1.00 3.22 C ATOM 1324 CG TYR A 82 -4.059 -17.168 1.367 1.00 61.43 C ATOM 1325 CD1 TYR A 82 -3.081 -16.501 2.116 1.00 42.23 C ATOM 1326 CD2 TYR A 82 -4.825 -18.178 1.956 1.00 61.44 C ATOM 1327 CE1 TYR A 82 -2.870 -16.851 3.456 1.00 3.14 C ATOM 1328 CE2 TYR A 82 -4.614 -18.526 3.294 1.00 1.34 C ATOM 1329 CZ TYR A 82 -3.637 -17.862 4.045 1.00 33.24 C ATOM 1330 OH TYR A 82 -3.430 -18.204 5.365 1.00 15.30 O ATOM 0 H TYR A 82 -1.357 -16.556 -0.181 1.00 44.22 H new ATOM 0 HA TYR A 82 -3.427 -18.346 -1.351 1.00 44.11 H new ATOM 0 HB2 TYR A 82 -4.323 -15.705 -0.174 1.00 3.22 H new ATOM 0 HB3 TYR A 82 -5.254 -17.170 -0.410 1.00 3.22 H new ATOM 0 HD1 TYR A 82 -2.491 -15.719 1.662 1.00 42.23 H new ATOM 0 HD2 TYR A 82 -5.580 -18.690 1.378 1.00 61.44 H new ATOM 0 HE1 TYR A 82 -2.115 -16.340 4.035 1.00 3.14 H new ATOM 0 HE2 TYR A 82 -5.205 -19.307 3.748 1.00 1.34 H new ATOM 0 HH TYR A 82 -4.046 -18.923 5.617 1.00 15.30 H new ATOM 1340 N TYR A 83 -3.551 -16.748 -3.290 1.00 44.32 N ATOM 1341 CA TYR A 83 -3.375 -15.886 -4.495 1.00 24.35 C ATOM 1342 C TYR A 83 -4.710 -15.738 -5.229 1.00 52.51 C ATOM 1343 O TYR A 83 -5.306 -16.702 -5.660 1.00 13.33 O ATOM 1344 CB TYR A 83 -2.356 -16.613 -5.371 1.00 3.35 C ATOM 1345 CG TYR A 83 -2.268 -15.931 -6.716 1.00 44.12 C ATOM 1346 CD1 TYR A 83 -3.298 -16.093 -7.651 1.00 50.33 C ATOM 1347 CD2 TYR A 83 -1.158 -15.138 -7.025 1.00 24.44 C ATOM 1348 CE1 TYR A 83 -3.216 -15.460 -8.897 1.00 64.20 C ATOM 1349 CE2 TYR A 83 -1.077 -14.506 -8.273 1.00 60.32 C ATOM 1350 CZ TYR A 83 -2.105 -14.664 -9.208 1.00 62.45 C ATOM 1351 OH TYR A 83 -2.025 -14.040 -10.437 1.00 41.04 O ATOM 0 H TYR A 83 -4.156 -17.559 -3.420 1.00 44.32 H new ATOM 0 HA TYR A 83 -3.036 -14.882 -4.238 1.00 24.35 H new ATOM 0 HB2 TYR A 83 -1.379 -16.613 -4.887 1.00 3.35 H new ATOM 0 HB3 TYR A 83 -2.649 -17.655 -5.499 1.00 3.35 H new ATOM 0 HD1 TYR A 83 -4.155 -16.706 -7.411 1.00 50.33 H new ATOM 0 HD2 TYR A 83 -0.365 -15.013 -6.303 1.00 24.44 H new ATOM 0 HE1 TYR A 83 -4.009 -15.585 -9.619 1.00 64.20 H new ATOM 0 HE2 TYR A 83 -0.219 -13.896 -8.513 1.00 60.32 H new ATOM 0 HH TYR A 83 -1.192 -13.527 -10.490 1.00 41.04 H new ATOM 1361 N LEU A 84 -5.178 -14.529 -5.372 1.00 50.14 N ATOM 1362 CA LEU A 84 -6.475 -14.306 -6.075 1.00 1.31 C ATOM 1363 C LEU A 84 -6.220 -13.917 -7.531 1.00 71.15 C ATOM 1364 O LEU A 84 -5.453 -13.020 -7.818 1.00 64.34 O ATOM 1365 CB LEU A 84 -7.139 -13.160 -5.315 1.00 44.03 C ATOM 1366 CG LEU A 84 -8.437 -12.762 -6.017 1.00 24.33 C ATOM 1367 CD1 LEU A 84 -9.270 -14.013 -6.301 1.00 53.12 C ATOM 1368 CD2 LEU A 84 -9.233 -11.814 -5.117 1.00 45.11 C ATOM 0 H LEU A 84 -4.719 -13.684 -5.032 1.00 50.14 H new ATOM 0 HA LEU A 84 -7.102 -15.198 -6.092 1.00 1.31 H new ATOM 0 HB2 LEU A 84 -7.347 -13.463 -4.289 1.00 44.03 H new ATOM 0 HB3 LEU A 84 -6.465 -12.305 -5.264 1.00 44.03 H new ATOM 0 HG LEU A 84 -8.202 -12.262 -6.956 1.00 24.33 H new ATOM 0 HD11 LEU A 84 -10.195 -13.728 -6.802 1.00 53.12 H new ATOM 0 HD12 LEU A 84 -8.704 -14.689 -6.942 1.00 53.12 H new ATOM 0 HD13 LEU A 84 -9.505 -14.515 -5.362 1.00 53.12 H new ATOM 0 HD21 LEU A 84 -10.159 -11.530 -5.617 1.00 45.11 H new ATOM 0 HD22 LEU A 84 -9.467 -12.315 -4.178 1.00 45.11 H new ATOM 0 HD23 LEU A 84 -8.641 -10.921 -4.915 1.00 45.11 H new ATOM 1380 N GLN A 85 -6.852 -14.588 -8.453 1.00 51.41 N ATOM 1381 CA GLN A 85 -6.633 -14.254 -9.887 1.00 22.44 C ATOM 1382 C GLN A 85 -7.843 -13.509 -10.462 1.00 50.30 C ATOM 1383 O GLN A 85 -8.968 -13.975 -10.396 1.00 33.11 O ATOM 1384 CB GLN A 85 -6.430 -15.606 -10.584 1.00 41.11 C ATOM 1385 CG GLN A 85 -7.786 -16.260 -10.866 1.00 5.24 C ATOM 1386 CD GLN A 85 -8.320 -15.807 -12.231 1.00 25.01 C ATOM 1387 OE1 GLN A 85 -7.758 -14.805 -12.855 1.00 24.14 O flip ATOM 1388 NE2 GLN A 85 -9.268 -16.376 -12.736 1.00 42.12 N flip ATOM 0 H GLN A 85 -7.507 -15.349 -8.277 1.00 51.41 H new ATOM 0 HA GLN A 85 -5.777 -13.595 -10.030 1.00 22.44 H new ATOM 0 HB2 GLN A 85 -5.884 -15.465 -11.517 1.00 41.11 H new ATOM 0 HB3 GLN A 85 -5.825 -16.261 -9.957 1.00 41.11 H new ATOM 0 HG2 GLN A 85 -7.685 -17.345 -10.849 1.00 5.24 H new ATOM 0 HG3 GLN A 85 -8.496 -15.994 -10.083 1.00 5.24 H new ATOM 0 HE21 GLN A 85 -9.710 -17.158 -12.253 1.00 42.12 H new ATOM 0 HE22 GLN A 85 -9.622 -16.071 -13.643 1.00 42.12 H new ATOM 1397 N LEU A 86 -7.615 -12.356 -11.031 1.00 62.13 N ATOM 1398 CA LEU A 86 -8.733 -11.570 -11.626 1.00 3.20 C ATOM 1399 C LEU A 86 -8.345 -11.098 -13.032 1.00 23.12 C ATOM 1400 O LEU A 86 -7.312 -10.482 -13.215 1.00 22.11 O ATOM 1401 CB LEU A 86 -8.923 -10.378 -10.689 1.00 42.34 C ATOM 1402 CG LEU A 86 -10.414 -10.176 -10.414 1.00 72.12 C ATOM 1403 CD1 LEU A 86 -11.119 -9.762 -11.707 1.00 3.51 C ATOM 1404 CD2 LEU A 86 -11.022 -11.482 -9.899 1.00 20.15 C ATOM 0 H LEU A 86 -6.695 -11.922 -11.109 1.00 62.13 H new ATOM 0 HA LEU A 86 -9.648 -12.154 -11.725 1.00 3.20 H new ATOM 0 HB2 LEU A 86 -8.390 -10.549 -9.754 1.00 42.34 H new ATOM 0 HB3 LEU A 86 -8.500 -9.479 -11.137 1.00 42.34 H new ATOM 0 HG LEU A 86 -10.541 -9.396 -9.663 1.00 72.12 H new ATOM 0 HD11 LEU A 86 -12.182 -9.618 -11.512 1.00 3.51 H new ATOM 0 HD12 LEU A 86 -10.688 -8.831 -12.074 1.00 3.51 H new ATOM 0 HD13 LEU A 86 -10.990 -10.542 -12.457 1.00 3.51 H new ATOM 0 HD21 LEU A 86 -12.084 -11.337 -9.703 1.00 20.15 H new ATOM 0 HD22 LEU A 86 -10.895 -12.263 -10.649 1.00 20.15 H new ATOM 0 HD23 LEU A 86 -10.521 -11.778 -8.978 1.00 20.15 H new ATOM 1416 N PRO A 87 -9.183 -11.408 -13.983 1.00 13.31 N ATOM 1417 CA PRO A 87 -8.921 -11.020 -15.394 1.00 0.22 C ATOM 1418 C PRO A 87 -9.092 -9.508 -15.592 1.00 3.45 C ATOM 1419 O PRO A 87 -10.151 -8.964 -15.337 1.00 34.11 O ATOM 1420 CB PRO A 87 -9.979 -11.792 -16.179 1.00 35.22 C ATOM 1421 CG PRO A 87 -11.083 -12.040 -15.199 1.00 61.31 C ATOM 1422 CD PRO A 87 -10.444 -12.145 -13.839 1.00 2.13 C ATOM 0 HA PRO A 87 -7.903 -11.247 -15.712 1.00 0.22 H new ATOM 0 HB2 PRO A 87 -10.333 -11.218 -17.035 1.00 35.22 H new ATOM 0 HB3 PRO A 87 -9.578 -12.728 -16.567 1.00 35.22 H new ATOM 0 HG2 PRO A 87 -11.810 -11.228 -15.223 1.00 61.31 H new ATOM 0 HG3 PRO A 87 -11.620 -12.956 -15.445 1.00 61.31 H new ATOM 0 HD2 PRO A 87 -11.076 -11.708 -13.066 1.00 2.13 H new ATOM 0 HD3 PRO A 87 -10.270 -13.184 -13.559 1.00 2.13 H new ATOM 1430 N PRO A 88 -8.041 -8.879 -16.049 1.00 52.31 N ATOM 1431 CA PRO A 88 -8.071 -7.419 -16.294 1.00 30.44 C ATOM 1432 C PRO A 88 -8.794 -7.112 -17.612 1.00 54.42 C ATOM 1433 O PRO A 88 -8.383 -7.564 -18.662 1.00 53.33 O ATOM 1434 CB PRO A 88 -6.596 -7.043 -16.395 1.00 41.24 C ATOM 1435 CG PRO A 88 -5.897 -8.295 -16.824 1.00 41.41 C ATOM 1436 CD PRO A 88 -6.737 -9.466 -16.373 1.00 31.25 C ATOM 0 HA PRO A 88 -8.599 -6.867 -15.516 1.00 30.44 H new ATOM 0 HB2 PRO A 88 -6.443 -6.240 -17.117 1.00 41.24 H new ATOM 0 HB3 PRO A 88 -6.214 -6.688 -15.438 1.00 41.24 H new ATOM 0 HG2 PRO A 88 -5.769 -8.310 -17.906 1.00 41.41 H new ATOM 0 HG3 PRO A 88 -4.901 -8.347 -16.385 1.00 41.41 H new ATOM 0 HD2 PRO A 88 -6.824 -10.218 -17.158 1.00 31.25 H new ATOM 0 HD3 PRO A 88 -6.297 -9.959 -15.506 1.00 31.25 H new ATOM 1444 N PRO A 89 -9.851 -6.355 -17.509 1.00 62.21 N ATOM 1445 CA PRO A 89 -10.640 -5.985 -18.711 1.00 72.02 C ATOM 1446 C PRO A 89 -9.880 -4.955 -19.552 1.00 55.25 C ATOM 1447 O PRO A 89 -9.239 -4.069 -19.024 1.00 71.53 O ATOM 1448 CB PRO A 89 -11.913 -5.378 -18.128 1.00 10.02 C ATOM 1449 CG PRO A 89 -11.524 -4.889 -16.767 1.00 23.44 C ATOM 1450 CD PRO A 89 -10.406 -5.776 -16.281 1.00 52.10 C ATOM 0 HA PRO A 89 -10.839 -6.829 -19.371 1.00 72.02 H new ATOM 0 HB2 PRO A 89 -12.281 -4.562 -18.750 1.00 10.02 H new ATOM 0 HB3 PRO A 89 -12.711 -6.118 -18.068 1.00 10.02 H new ATOM 0 HG2 PRO A 89 -11.200 -3.849 -16.809 1.00 23.44 H new ATOM 0 HG3 PRO A 89 -12.373 -4.931 -16.085 1.00 23.44 H new ATOM 0 HD2 PRO A 89 -9.655 -5.207 -15.733 1.00 52.10 H new ATOM 0 HD3 PRO A 89 -10.775 -6.549 -15.607 1.00 52.10 H new ATOM 1458 N PRO A 90 -9.976 -5.114 -20.846 1.00 21.24 N ATOM 1459 CA PRO A 90 -9.289 -4.192 -21.783 1.00 24.04 C ATOM 1460 C PRO A 90 -10.018 -2.845 -21.849 1.00 70.15 C ATOM 1461 O PRO A 90 -9.749 -1.945 -21.079 1.00 24.24 O ATOM 1462 CB PRO A 90 -9.366 -4.918 -23.122 1.00 51.22 C ATOM 1463 CG PRO A 90 -10.559 -5.817 -23.009 1.00 52.33 C ATOM 1464 CD PRO A 90 -10.728 -6.159 -21.550 1.00 64.33 C ATOM 0 HA PRO A 90 -8.266 -3.965 -21.484 1.00 24.04 H new ATOM 0 HB2 PRO A 90 -9.479 -4.214 -23.946 1.00 51.22 H new ATOM 0 HB3 PRO A 90 -8.458 -5.490 -23.314 1.00 51.22 H new ATOM 0 HG2 PRO A 90 -11.451 -5.322 -23.393 1.00 52.33 H new ATOM 0 HG3 PRO A 90 -10.416 -6.721 -23.601 1.00 52.33 H new ATOM 0 HD2 PRO A 90 -11.779 -6.158 -21.260 1.00 64.33 H new ATOM 0 HD3 PRO A 90 -10.337 -7.151 -21.326 1.00 64.33 H new ATOM 1472 N GLU A 91 -10.940 -2.699 -22.764 1.00 3.03 N ATOM 1473 CA GLU A 91 -11.682 -1.411 -22.876 1.00 35.32 C ATOM 1474 C GLU A 91 -13.122 -1.669 -23.327 1.00 41.52 C ATOM 1475 O GLU A 91 -13.691 -2.710 -23.056 1.00 24.22 O ATOM 1476 CB GLU A 91 -10.925 -0.608 -23.936 1.00 64.11 C ATOM 1477 CG GLU A 91 -10.934 0.877 -23.561 1.00 54.22 C ATOM 1478 CD GLU A 91 -9.617 1.521 -23.994 1.00 32.45 C ATOM 1479 OE1 GLU A 91 -8.869 0.873 -24.708 1.00 4.41 O ATOM 1480 OE2 GLU A 91 -9.377 2.653 -23.606 1.00 14.21 O ATOM 0 H GLU A 91 -11.210 -3.416 -23.437 1.00 3.03 H new ATOM 0 HA GLU A 91 -11.736 -0.881 -21.925 1.00 35.32 H new ATOM 0 HB2 GLU A 91 -9.899 -0.967 -24.014 1.00 64.11 H new ATOM 0 HB3 GLU A 91 -11.388 -0.749 -24.913 1.00 64.11 H new ATOM 0 HG2 GLU A 91 -11.772 1.380 -24.043 1.00 54.22 H new ATOM 0 HG3 GLU A 91 -11.070 0.990 -22.486 1.00 54.22 H new ATOM 1487 N ASP A 92 -13.716 -0.732 -24.015 1.00 2.44 N ATOM 1488 CA ASP A 92 -15.119 -0.925 -24.486 1.00 33.14 C ATOM 1489 C ASP A 92 -15.310 -0.273 -25.858 1.00 54.25 C ATOM 1490 O ASP A 92 -16.355 0.263 -26.162 1.00 70.43 O ATOM 1491 CB ASP A 92 -15.989 -0.229 -23.438 1.00 74.21 C ATOM 1492 CG ASP A 92 -16.998 -1.226 -22.864 1.00 71.43 C ATOM 1493 OD1 ASP A 92 -17.667 -1.880 -23.646 1.00 22.21 O ATOM 1494 OD2 ASP A 92 -17.084 -1.319 -21.649 1.00 72.25 O ATOM 0 H ASP A 92 -13.291 0.159 -24.272 1.00 2.44 H new ATOM 0 HA ASP A 92 -15.376 -1.979 -24.595 1.00 33.14 H new ATOM 0 HB2 ASP A 92 -15.364 0.172 -22.640 1.00 74.21 H new ATOM 0 HB3 ASP A 92 -16.512 0.615 -23.887 1.00 74.21 H new ATOM 1499 N LEU A 93 -14.303 -0.313 -26.690 1.00 51.51 N ATOM 1500 CA LEU A 93 -14.428 0.308 -28.043 1.00 53.44 C ATOM 1501 C LEU A 93 -14.080 -0.717 -29.128 1.00 52.33 C ATOM 1502 O LEU A 93 -14.002 -1.904 -28.871 1.00 3.11 O ATOM 1503 CB LEU A 93 -13.442 1.496 -28.088 1.00 72.53 C ATOM 1504 CG LEU A 93 -12.462 1.474 -26.903 1.00 43.24 C ATOM 1505 CD1 LEU A 93 -11.367 0.435 -27.157 1.00 63.30 C ATOM 1506 CD2 LEU A 93 -11.817 2.855 -26.756 1.00 35.32 C ATOM 0 H LEU A 93 -13.401 -0.747 -26.493 1.00 51.51 H new ATOM 0 HA LEU A 93 -15.448 0.647 -28.224 1.00 53.44 H new ATOM 0 HB2 LEU A 93 -12.882 1.468 -29.023 1.00 72.53 H new ATOM 0 HB3 LEU A 93 -14.001 2.432 -28.080 1.00 72.53 H new ATOM 0 HG LEU A 93 -13.003 1.217 -25.992 1.00 43.24 H new ATOM 0 HD11 LEU A 93 -10.675 0.423 -26.315 1.00 63.30 H new ATOM 0 HD12 LEU A 93 -11.819 -0.550 -27.269 1.00 63.30 H new ATOM 0 HD13 LEU A 93 -10.826 0.692 -28.068 1.00 63.30 H new ATOM 0 HD21 LEU A 93 -11.121 2.844 -25.917 1.00 35.32 H new ATOM 0 HD22 LEU A 93 -11.279 3.104 -27.670 1.00 35.32 H new ATOM 0 HD23 LEU A 93 -12.591 3.601 -26.576 1.00 35.32 H new ATOM 1518 N LEU A 94 -13.880 -0.273 -30.339 1.00 61.40 N ATOM 1519 CA LEU A 94 -13.550 -1.224 -31.442 1.00 14.23 C ATOM 1520 C LEU A 94 -12.049 -1.530 -31.465 1.00 73.23 C ATOM 1521 O LEU A 94 -11.555 -2.198 -32.352 1.00 70.54 O ATOM 1522 CB LEU A 94 -13.969 -0.502 -32.725 1.00 21.50 C ATOM 1523 CG LEU A 94 -13.018 0.664 -33.000 1.00 3.04 C ATOM 1524 CD1 LEU A 94 -12.469 0.546 -34.423 1.00 45.11 C ATOM 1525 CD2 LEU A 94 -13.779 1.984 -32.857 1.00 71.13 C ATOM 0 H LEU A 94 -13.931 0.708 -30.614 1.00 61.40 H new ATOM 0 HA LEU A 94 -14.060 -2.180 -31.322 1.00 14.23 H new ATOM 0 HB2 LEU A 94 -13.958 -1.197 -33.564 1.00 21.50 H new ATOM 0 HB3 LEU A 94 -14.991 -0.135 -32.629 1.00 21.50 H new ATOM 0 HG LEU A 94 -12.194 0.639 -32.287 1.00 3.04 H new ATOM 0 HD11 LEU A 94 -11.791 1.376 -34.621 1.00 45.11 H new ATOM 0 HD12 LEU A 94 -11.930 -0.396 -34.528 1.00 45.11 H new ATOM 0 HD13 LEU A 94 -13.294 0.574 -35.135 1.00 45.11 H new ATOM 0 HD21 LEU A 94 -13.103 2.817 -33.053 1.00 71.13 H new ATOM 0 HD22 LEU A 94 -14.602 2.009 -33.572 1.00 71.13 H new ATOM 0 HD23 LEU A 94 -14.175 2.068 -31.845 1.00 71.13 H new ATOM 1537 N LYS A 95 -11.317 -1.045 -30.500 1.00 20.15 N ATOM 1538 CA LYS A 95 -9.848 -1.308 -30.473 1.00 34.01 C ATOM 1539 C LYS A 95 -9.525 -2.410 -29.461 1.00 24.40 C ATOM 1540 O LYS A 95 -9.512 -2.187 -28.267 1.00 42.14 O ATOM 1541 CB LYS A 95 -9.217 0.016 -30.042 1.00 43.13 C ATOM 1542 CG LYS A 95 -7.693 -0.114 -30.063 1.00 23.42 C ATOM 1543 CD LYS A 95 -7.177 -0.309 -28.635 1.00 33.34 C ATOM 1544 CE LYS A 95 -5.645 -0.309 -28.639 1.00 10.01 C ATOM 1545 NZ LYS A 95 -5.258 1.061 -29.080 1.00 34.11 N ATOM 0 H LYS A 95 -11.671 -0.478 -29.729 1.00 20.15 H new ATOM 0 HA LYS A 95 -9.472 -1.645 -31.439 1.00 34.01 H new ATOM 0 HB2 LYS A 95 -9.533 0.817 -30.711 1.00 43.13 H new ATOM 0 HB3 LYS A 95 -9.556 0.284 -29.041 1.00 43.13 H new ATOM 0 HG2 LYS A 95 -7.398 -0.958 -30.686 1.00 23.42 H new ATOM 0 HG3 LYS A 95 -7.247 0.778 -30.503 1.00 23.42 H new ATOM 0 HD2 LYS A 95 -7.549 0.488 -27.991 1.00 33.34 H new ATOM 0 HD3 LYS A 95 -7.550 -1.249 -28.228 1.00 33.34 H new ATOM 0 HE2 LYS A 95 -5.248 -0.531 -27.648 1.00 10.01 H new ATOM 0 HE3 LYS A 95 -5.253 -1.067 -29.317 1.00 10.01 H new ATOM 0 HZ1 LYS A 95 -4.364 1.333 -28.624 1.00 34.11 H new ATOM 0 HZ2 LYS A 95 -5.137 1.072 -30.113 1.00 34.11 H new ATOM 0 HZ3 LYS A 95 -6.003 1.735 -28.811 1.00 34.11 H new ATOM 1559 N GLN A 96 -9.263 -3.601 -29.928 1.00 71.10 N ATOM 1560 CA GLN A 96 -8.942 -4.714 -28.988 1.00 33.24 C ATOM 1561 C GLN A 96 -7.754 -5.528 -29.513 1.00 62.44 C ATOM 1562 O GLN A 96 -7.866 -6.262 -30.474 1.00 70.11 O ATOM 1563 CB GLN A 96 -10.204 -5.574 -28.946 1.00 64.13 C ATOM 1564 CG GLN A 96 -11.339 -4.776 -28.299 1.00 23.43 C ATOM 1565 CD GLN A 96 -12.685 -5.387 -28.697 1.00 31.23 C ATOM 1566 OE1 GLN A 96 -13.111 -5.265 -29.829 1.00 42.21 O ATOM 1567 NE2 GLN A 96 -13.378 -6.043 -27.807 1.00 43.41 N ATOM 0 H GLN A 96 -9.257 -3.851 -30.917 1.00 71.10 H new ATOM 0 HA GLN A 96 -8.663 -4.350 -27.999 1.00 33.24 H new ATOM 0 HB2 GLN A 96 -10.486 -5.876 -29.955 1.00 64.13 H new ATOM 0 HB3 GLN A 96 -10.017 -6.487 -28.380 1.00 64.13 H new ATOM 0 HG2 GLN A 96 -11.231 -4.784 -27.214 1.00 23.43 H new ATOM 0 HG3 GLN A 96 -11.292 -3.734 -28.617 1.00 23.43 H new ATOM 0 HE21 GLN A 96 -13.021 -6.146 -26.857 1.00 43.41 H new ATOM 0 HE22 GLN A 96 -14.277 -6.453 -28.061 1.00 43.41 H new ATOM 1576 N HIS A 97 -6.613 -5.400 -28.886 1.00 1.25 N ATOM 1577 CA HIS A 97 -5.420 -6.168 -29.347 1.00 3.14 C ATOM 1578 C HIS A 97 -4.500 -6.477 -28.161 1.00 3.32 C ATOM 1579 O HIS A 97 -4.797 -6.144 -27.031 1.00 32.51 O ATOM 1580 CB HIS A 97 -4.718 -5.247 -30.346 1.00 22.40 C ATOM 1581 CG HIS A 97 -5.205 -5.551 -31.735 1.00 4.33 C ATOM 1582 ND1 HIS A 97 -4.689 -6.593 -32.490 1.00 42.13 N ATOM 1583 CD2 HIS A 97 -6.164 -4.959 -32.522 1.00 23.42 C ATOM 1584 CE1 HIS A 97 -5.331 -6.596 -33.672 1.00 41.21 C ATOM 1585 NE2 HIS A 97 -6.241 -5.621 -33.745 1.00 22.23 N ATOM 0 H HIS A 97 -6.457 -4.798 -28.077 1.00 1.25 H new ATOM 0 HA HIS A 97 -5.691 -7.124 -29.796 1.00 3.14 H new ATOM 0 HB2 HIS A 97 -4.918 -4.204 -30.099 1.00 22.40 H new ATOM 0 HB3 HIS A 97 -3.638 -5.386 -30.289 1.00 22.40 H new ATOM 0 HD2 HIS A 97 -6.766 -4.110 -32.236 1.00 23.42 H new ATOM 0 HE1 HIS A 97 -5.134 -7.301 -34.466 1.00 41.21 H new ATOM 0 HE2 HIS A 97 -6.859 -5.407 -34.528 1.00 22.23 H new ATOM 1593 N LEU A 98 -3.388 -7.111 -28.411 1.00 60.15 N ATOM 1594 CA LEU A 98 -2.451 -7.442 -27.299 1.00 72.31 C ATOM 1595 C LEU A 98 -1.000 -7.358 -27.786 1.00 42.14 C ATOM 1596 O LEU A 98 -0.667 -7.823 -28.856 1.00 53.24 O ATOM 1597 CB LEU A 98 -2.803 -8.877 -26.900 1.00 2.34 C ATOM 1598 CG LEU A 98 -1.863 -9.345 -25.788 1.00 1.31 C ATOM 1599 CD1 LEU A 98 -2.108 -8.517 -24.528 1.00 21.43 C ATOM 1600 CD2 LEU A 98 -2.131 -10.822 -25.486 1.00 3.15 C ATOM 0 H LEU A 98 -3.087 -7.415 -29.337 1.00 60.15 H new ATOM 0 HA LEU A 98 -2.543 -6.752 -26.461 1.00 72.31 H new ATOM 0 HB2 LEU A 98 -3.838 -8.928 -26.561 1.00 2.34 H new ATOM 0 HB3 LEU A 98 -2.718 -9.537 -27.764 1.00 2.34 H new ATOM 0 HG LEU A 98 -0.829 -9.218 -26.109 1.00 1.31 H new ATOM 0 HD11 LEU A 98 -1.437 -8.852 -23.737 1.00 21.43 H new ATOM 0 HD12 LEU A 98 -1.920 -7.465 -24.742 1.00 21.43 H new ATOM 0 HD13 LEU A 98 -3.141 -8.643 -24.205 1.00 21.43 H new ATOM 0 HD21 LEU A 98 -1.462 -11.159 -24.694 1.00 3.15 H new ATOM 0 HD22 LEU A 98 -3.165 -10.946 -25.165 1.00 3.15 H new ATOM 0 HD23 LEU A 98 -1.956 -11.415 -26.384 1.00 3.15 H new ATOM 1612 N SER A 99 -0.136 -6.765 -27.008 1.00 11.32 N ATOM 1613 CA SER A 99 1.290 -6.650 -27.429 1.00 53.14 C ATOM 1614 C SER A 99 2.173 -6.315 -26.223 1.00 11.32 C ATOM 1615 O SER A 99 1.728 -6.337 -25.093 1.00 61.00 O ATOM 1616 CB SER A 99 1.311 -5.509 -28.445 1.00 42.44 C ATOM 1617 OG SER A 99 0.130 -5.560 -29.234 1.00 43.11 O ATOM 0 H SER A 99 -0.355 -6.355 -26.100 1.00 11.32 H new ATOM 0 HA SER A 99 1.673 -7.579 -27.852 1.00 53.14 H new ATOM 0 HB2 SER A 99 1.377 -4.550 -27.931 1.00 42.44 H new ATOM 0 HB3 SER A 99 2.192 -5.590 -29.082 1.00 42.44 H new ATOM 0 HG SER A 99 0.047 -6.448 -29.641 1.00 43.11 H new ATOM 1623 N VAL A 100 3.420 -6.009 -26.453 1.00 21.43 N ATOM 1624 CA VAL A 100 4.329 -5.676 -25.318 1.00 12.42 C ATOM 1625 C VAL A 100 5.233 -4.495 -25.685 1.00 40.24 C ATOM 1626 O VAL A 100 5.084 -3.406 -25.170 1.00 40.04 O ATOM 1627 CB VAL A 100 5.161 -6.941 -25.098 1.00 45.04 C ATOM 1628 CG1 VAL A 100 6.117 -6.726 -23.923 1.00 42.11 C ATOM 1629 CG2 VAL A 100 4.227 -8.114 -24.789 1.00 44.13 C ATOM 0 H VAL A 100 3.850 -5.975 -27.377 1.00 21.43 H new ATOM 0 HA VAL A 100 3.781 -5.384 -24.422 1.00 12.42 H new ATOM 0 HB VAL A 100 5.737 -7.160 -25.997 1.00 45.04 H new ATOM 0 HG11 VAL A 100 6.710 -7.627 -23.766 1.00 42.11 H new ATOM 0 HG12 VAL A 100 6.780 -5.889 -24.142 1.00 42.11 H new ATOM 0 HG13 VAL A 100 5.543 -6.508 -23.022 1.00 42.11 H new ATOM 0 HG21 VAL A 100 4.817 -9.017 -24.632 1.00 44.13 H new ATOM 0 HG22 VAL A 100 3.653 -7.894 -23.889 1.00 44.13 H new ATOM 0 HG23 VAL A 100 3.546 -8.267 -25.626 1.00 44.13 H new ATOM 1639 N MET A 101 6.172 -4.702 -26.569 1.00 71.40 N ATOM 1640 CA MET A 101 7.083 -3.588 -26.963 1.00 3.31 C ATOM 1641 C MET A 101 7.821 -3.935 -28.260 1.00 42.44 C ATOM 1642 O MET A 101 7.905 -3.136 -29.170 1.00 1.15 O ATOM 1643 CB MET A 101 8.071 -3.458 -25.804 1.00 23.42 C ATOM 1644 CG MET A 101 8.099 -2.008 -25.318 1.00 30.43 C ATOM 1645 SD MET A 101 7.265 -1.892 -23.717 1.00 64.32 S ATOM 1646 CE MET A 101 6.263 -0.432 -24.087 1.00 64.00 C ATOM 0 H MET A 101 6.348 -5.592 -27.035 1.00 71.40 H new ATOM 0 HA MET A 101 6.542 -2.660 -27.147 1.00 3.31 H new ATOM 0 HB2 MET A 101 7.781 -4.121 -24.989 1.00 23.42 H new ATOM 0 HB3 MET A 101 9.067 -3.765 -26.125 1.00 23.42 H new ATOM 0 HG2 MET A 101 9.129 -1.663 -25.229 1.00 30.43 H new ATOM 0 HG3 MET A 101 7.607 -1.360 -26.044 1.00 30.43 H new ATOM 0 HE1 MET A 101 5.656 -0.177 -23.218 1.00 64.00 H new ATOM 0 HE2 MET A 101 6.917 0.405 -24.331 1.00 64.00 H new ATOM 0 HE3 MET A 101 5.612 -0.643 -24.935 1.00 64.00 H new ATOM 1656 N GLY A 102 8.355 -5.123 -28.348 1.00 40.54 N ATOM 1657 CA GLY A 102 9.086 -5.522 -29.583 1.00 33.34 C ATOM 1658 C GLY A 102 9.781 -6.864 -29.354 1.00 33.12 C ATOM 1659 O GLY A 102 9.742 -7.418 -28.273 1.00 13.12 O ATOM 0 H GLY A 102 8.316 -5.834 -27.618 1.00 40.54 H new ATOM 0 HA2 GLY A 102 8.392 -5.598 -30.420 1.00 33.34 H new ATOM 0 HA3 GLY A 102 9.820 -4.760 -29.846 1.00 33.34 H new ATOM 1663 N GLN A 103 10.418 -7.395 -30.364 1.00 12.33 N ATOM 1664 CA GLN A 103 11.113 -8.704 -30.201 1.00 54.10 C ATOM 1665 C GLN A 103 12.627 -8.523 -30.340 1.00 14.31 C ATOM 1666 O GLN A 103 13.110 -7.453 -30.655 1.00 50.54 O ATOM 1667 CB GLN A 103 10.575 -9.585 -31.327 1.00 35.25 C ATOM 1668 CG GLN A 103 9.765 -10.738 -30.731 1.00 50.52 C ATOM 1669 CD GLN A 103 8.439 -10.873 -31.479 1.00 11.50 C ATOM 1670 OE1 GLN A 103 7.389 -10.937 -30.873 1.00 75.22 O ATOM 1671 NE2 GLN A 103 8.442 -10.921 -32.784 1.00 32.14 N ATOM 0 H GLN A 103 10.487 -6.979 -31.293 1.00 12.33 H new ATOM 0 HA GLN A 103 10.934 -9.143 -29.220 1.00 54.10 H new ATOM 0 HB2 GLN A 103 9.949 -8.995 -31.997 1.00 35.25 H new ATOM 0 HB3 GLN A 103 11.400 -9.976 -31.923 1.00 35.25 H new ATOM 0 HG2 GLN A 103 10.330 -11.667 -30.801 1.00 50.52 H new ATOM 0 HG3 GLN A 103 9.580 -10.557 -29.672 1.00 50.52 H new ATOM 0 HE21 GLN A 103 9.324 -10.867 -33.294 1.00 32.14 H new ATOM 0 HE22 GLN A 103 7.563 -11.012 -33.293 1.00 32.14 H new ATOM 1680 N LYS A 104 13.380 -9.563 -30.107 1.00 40.12 N ATOM 1681 CA LYS A 104 14.863 -9.453 -30.226 1.00 41.03 C ATOM 1682 C LYS A 104 15.361 -10.285 -31.410 1.00 10.11 C ATOM 1683 O LYS A 104 14.661 -11.135 -31.922 1.00 31.13 O ATOM 1684 CB LYS A 104 15.407 -10.010 -28.910 1.00 34.00 C ATOM 1685 CG LYS A 104 14.886 -9.167 -27.743 1.00 63.20 C ATOM 1686 CD LYS A 104 16.068 -8.669 -26.907 1.00 44.11 C ATOM 1687 CE LYS A 104 17.042 -7.904 -27.807 1.00 64.14 C ATOM 1688 NZ LYS A 104 16.828 -6.469 -27.473 1.00 40.43 N ATOM 0 H LYS A 104 13.033 -10.484 -29.839 1.00 40.12 H new ATOM 0 HA LYS A 104 15.190 -8.428 -30.400 1.00 41.03 H new ATOM 0 HB2 LYS A 104 15.099 -11.049 -28.788 1.00 34.00 H new ATOM 0 HB3 LYS A 104 16.497 -10.000 -28.922 1.00 34.00 H new ATOM 0 HG2 LYS A 104 14.311 -8.321 -28.120 1.00 63.20 H new ATOM 0 HG3 LYS A 104 14.213 -9.760 -27.124 1.00 63.20 H new ATOM 0 HD2 LYS A 104 15.713 -8.022 -26.105 1.00 44.11 H new ATOM 0 HD3 LYS A 104 16.575 -9.511 -26.437 1.00 44.11 H new ATOM 0 HE2 LYS A 104 18.073 -8.204 -27.618 1.00 64.14 H new ATOM 0 HE3 LYS A 104 16.842 -8.098 -28.861 1.00 64.14 H new ATOM 0 HZ1 LYS A 104 17.461 -5.880 -28.050 1.00 40.43 H new ATOM 0 HZ2 LYS A 104 15.840 -6.210 -27.669 1.00 40.43 H new ATOM 0 HZ3 LYS A 104 17.033 -6.313 -26.465 1.00 40.43 H new ATOM 1702 N THR A 105 16.568 -10.048 -31.846 1.00 34.40 N ATOM 1703 CA THR A 105 17.109 -10.827 -32.996 1.00 42.11 C ATOM 1704 C THR A 105 18.569 -11.209 -32.737 1.00 25.20 C ATOM 1705 O THR A 105 19.323 -10.456 -32.152 1.00 71.22 O ATOM 1706 CB THR A 105 17.004 -9.883 -34.197 1.00 63.32 C ATOM 1707 OG1 THR A 105 17.803 -8.729 -33.968 1.00 0.20 O ATOM 1708 CG2 THR A 105 15.546 -9.461 -34.390 1.00 53.34 C ATOM 0 H THR A 105 17.202 -9.350 -31.457 1.00 34.40 H new ATOM 0 HA THR A 105 16.564 -11.757 -33.159 1.00 42.11 H new ATOM 0 HB THR A 105 17.356 -10.397 -35.091 1.00 63.32 H new ATOM 0 HG1 THR A 105 17.736 -8.127 -34.738 1.00 0.20 H new ATOM 0 HG21 THR A 105 15.472 -8.789 -35.245 1.00 53.34 H new ATOM 0 HG22 THR A 105 14.932 -10.344 -34.568 1.00 53.34 H new ATOM 0 HG23 THR A 105 15.194 -8.949 -33.495 1.00 53.34 H new ATOM 1716 N ASP A 106 18.973 -12.372 -33.166 1.00 54.05 N ATOM 1717 CA ASP A 106 20.384 -12.799 -32.943 1.00 23.30 C ATOM 1718 C ASP A 106 21.346 -11.801 -33.591 1.00 23.14 C ATOM 1719 O ASP A 106 22.457 -11.610 -33.140 1.00 71.31 O ATOM 1720 CB ASP A 106 20.496 -14.167 -33.615 1.00 53.13 C ATOM 1721 CG ASP A 106 21.847 -14.793 -33.270 1.00 62.44 C ATOM 1722 OD1 ASP A 106 22.086 -15.033 -32.097 1.00 63.34 O ATOM 1723 OD2 ASP A 106 22.621 -15.029 -34.183 1.00 12.10 O ATOM 0 H ASP A 106 18.388 -13.045 -33.661 1.00 54.05 H new ATOM 0 HA ASP A 106 20.639 -12.844 -31.884 1.00 23.30 H new ATOM 0 HB2 ASP A 106 19.686 -14.816 -33.281 1.00 53.13 H new ATOM 0 HB3 ASP A 106 20.396 -14.063 -34.695 1.00 53.13 H new ATOM 1728 N ASP A 107 20.926 -11.160 -34.648 1.00 31.22 N ATOM 1729 CA ASP A 107 21.818 -10.173 -35.323 1.00 51.11 C ATOM 1730 C ASP A 107 22.264 -9.101 -34.327 1.00 1.23 C ATOM 1731 O ASP A 107 21.574 -8.128 -34.097 1.00 20.35 O ATOM 1732 CB ASP A 107 20.959 -9.558 -36.428 1.00 3.22 C ATOM 1733 CG ASP A 107 20.668 -10.615 -37.496 1.00 24.03 C ATOM 1734 OD1 ASP A 107 20.421 -11.753 -37.126 1.00 32.40 O ATOM 1735 OD2 ASP A 107 20.695 -10.271 -38.665 1.00 24.11 O ATOM 0 H ASP A 107 20.006 -11.276 -35.073 1.00 31.22 H new ATOM 0 HA ASP A 107 22.723 -10.633 -35.720 1.00 51.11 H new ATOM 0 HB2 ASP A 107 20.025 -9.181 -36.010 1.00 3.22 H new ATOM 0 HB3 ASP A 107 21.475 -8.708 -36.874 1.00 3.22 H new ATOM 1740 N THR A 108 23.413 -9.271 -33.730 1.00 62.44 N ATOM 1741 CA THR A 108 23.898 -8.258 -32.748 1.00 22.41 C ATOM 1742 C THR A 108 25.262 -7.712 -33.175 1.00 11.31 C ATOM 1743 O THR A 108 25.901 -6.977 -32.449 1.00 5.20 O ATOM 1744 CB THR A 108 24.014 -9.016 -31.422 1.00 31.32 C ATOM 1745 OG1 THR A 108 24.158 -8.083 -30.360 1.00 4.11 O ATOM 1746 CG2 THR A 108 25.232 -9.938 -31.461 1.00 61.54 C ATOM 0 H THR A 108 24.035 -10.065 -33.879 1.00 62.44 H new ATOM 0 HA THR A 108 23.226 -7.403 -32.673 1.00 22.41 H new ATOM 0 HB THR A 108 23.116 -9.614 -31.265 1.00 31.32 H new ATOM 0 HG1 THR A 108 24.764 -7.364 -30.636 1.00 4.11 H new ATOM 0 HG21 THR A 108 25.312 -10.476 -30.516 1.00 61.54 H new ATOM 0 HG22 THR A 108 25.122 -10.652 -32.277 1.00 61.54 H new ATOM 0 HG23 THR A 108 26.133 -9.345 -31.618 1.00 61.54 H new ATOM 1754 N ASN A 109 25.714 -8.066 -34.348 1.00 55.11 N ATOM 1755 CA ASN A 109 27.037 -7.565 -34.814 1.00 31.15 C ATOM 1756 C ASN A 109 26.866 -6.719 -36.081 1.00 32.30 C ATOM 1757 O ASN A 109 26.965 -5.509 -36.047 1.00 74.23 O ATOM 1758 CB ASN A 109 27.858 -8.820 -35.112 1.00 70.32 C ATOM 1759 CG ASN A 109 27.904 -9.705 -33.866 1.00 33.20 C ATOM 1760 OD1 ASN A 109 28.581 -9.392 -32.908 1.00 42.03 O ATOM 1761 ND2 ASN A 109 27.207 -10.808 -33.840 1.00 74.34 N ATOM 0 H ASN A 109 25.225 -8.678 -35.001 1.00 55.11 H new ATOM 0 HA ASN A 109 27.522 -6.931 -34.072 1.00 31.15 H new ATOM 0 HB2 ASN A 109 27.416 -9.368 -35.944 1.00 70.32 H new ATOM 0 HB3 ASN A 109 28.869 -8.544 -35.413 1.00 70.32 H new ATOM 0 HD21 ASN A 109 27.231 -11.407 -33.015 1.00 74.34 H new ATOM 0 HD22 ASN A 109 26.638 -11.071 -34.645 1.00 74.34 H new ATOM 1768 N LYS A 110 26.611 -7.347 -37.198 1.00 31.41 N ATOM 1769 CA LYS A 110 26.437 -6.575 -38.461 1.00 35.21 C ATOM 1770 C LYS A 110 25.273 -7.149 -39.274 1.00 43.32 C ATOM 1771 O LYS A 110 25.436 -7.311 -40.472 1.00 22.04 O ATOM 1772 CB LYS A 110 27.754 -6.746 -39.217 1.00 1.50 C ATOM 1773 CG LYS A 110 28.794 -5.765 -38.666 1.00 52.15 C ATOM 1774 CD LYS A 110 29.930 -5.605 -39.680 1.00 75.24 C ATOM 1775 CE LYS A 110 31.170 -6.353 -39.185 1.00 41.21 C ATOM 1776 NZ LYS A 110 31.387 -7.437 -40.182 1.00 50.32 N ATOM 0 H LYS A 110 26.516 -8.358 -37.290 1.00 31.41 H new ATOM 0 HA LYS A 110 26.209 -5.526 -38.275 1.00 35.21 H new ATOM 0 HB2 LYS A 110 28.114 -7.770 -39.114 1.00 1.50 H new ATOM 0 HB3 LYS A 110 27.600 -6.568 -40.281 1.00 1.50 H new ATOM 0 HG2 LYS A 110 28.330 -4.799 -38.468 1.00 52.15 H new ATOM 0 HG3 LYS A 110 29.187 -6.130 -37.717 1.00 52.15 H new ATOM 0 HD2 LYS A 110 29.622 -5.994 -40.651 1.00 75.24 H new ATOM 0 HD3 LYS A 110 30.161 -4.549 -39.818 1.00 75.24 H new ATOM 0 HE2 LYS A 110 32.034 -5.691 -39.127 1.00 41.21 H new ATOM 0 HE3 LYS A 110 31.013 -6.760 -38.186 1.00 41.21 H new ATOM 0 HZ1 LYS A 110 32.222 -7.996 -39.911 1.00 50.32 H new ATOM 0 HZ2 LYS A 110 30.551 -8.055 -40.210 1.00 50.32 H new ATOM 0 HZ3 LYS A 110 31.540 -7.019 -41.122 1.00 50.32 H new TER 1790 LYS A 110