USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0651 (180deg=-0.539) USER MOD Single : A 3 LYS NZ :NH3+ -170:sc= -0.418 (180deg=-0.733) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 12 GLN : amide:sc= -0.43 K(o=-0.43,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 158:sc= -0.107 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -178:sc= -2.09 (180deg=-2.13) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -127:sc= -0.928 (180deg=-2.57!) USER MOD Single : A 43 HIS : no HD1:sc= -0.516 X(o=-0.52,f=-0.042) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 102:sc= 0.897 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.24! C(o=-2.2!,f=-2.2!) USER MOD Single : A 63 GLN : amide:sc= -1.85! C(o=-1.8!,f=-5.1!) USER MOD Single : A 67 SER OG : rot 64:sc= 0.979 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.836 USER MOD Single : A 76 THR OG1 : rot -36:sc= -2.11! USER MOD Single : A 78 GLN : amide:sc= -2.84! C(o=-2.8!,f=-3.4!) USER MOD Single : A 81 LYS NZ :NH3+ -172:sc= 0.0213 (180deg=-0.0473) USER MOD Single : A 82 LYS NZ :NH3+ -118:sc= -1.02 (180deg=-3.06!) USER MOD Single : A 84 GLN : amide:sc= -0.76 K(o=-0.76,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -147:sc= 0.0127 (180deg=0) USER MOD Single : A 90 SER OG : rot 109:sc= 0.821 USER MOD Single : A 93 ASN : amide:sc= -1.35 K(o=-1.4,f=-5.8!) USER MOD Single : A 94 LYS NZ :NH3+ 158:sc= -0.212 (180deg=-1.2!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -170:sc= -0.0813 USER MOD Single : A 102 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.6!) USER MOD Single : B 1 PHE N :NH3+ -153:sc= 1.08 (180deg=0.268) USER MOD Single : B 5 TYR OH : rot -162:sc= -4.62 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 HIS : no HD1:sc=-0.00731 X(o=-0.0073,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.377 -2.395 7.961 1.00 0.73 N ATOM 2 CA MET A 1 -6.248 -2.529 8.925 1.00 0.31 C ATOM 3 C MET A 1 -4.920 -2.375 8.181 1.00 0.24 C ATOM 4 O MET A 1 -4.822 -2.659 7.003 1.00 0.21 O ATOM 5 CB MET A 1 -6.303 -3.908 9.587 1.00 0.70 C ATOM 6 CG MET A 1 -7.700 -4.147 10.160 1.00 1.55 C ATOM 7 SD MET A 1 -7.688 -5.642 11.180 1.00 2.25 S ATOM 8 CE MET A 1 -9.433 -6.071 10.977 1.00 2.89 C ATOM 0 H1 MET A 1 -8.258 -2.211 8.482 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.187 -1.605 7.312 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.474 -3.275 7.416 1.00 0.73 H new ATOM 0 HA MET A 1 -6.329 -1.755 9.688 1.00 0.31 H new ATOM 0 HB2 MET A 1 -6.060 -4.682 8.859 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.558 -3.972 10.380 1.00 0.70 H new ATOM 0 HG2 MET A 1 -8.011 -3.290 10.757 1.00 1.55 H new ATOM 0 HG3 MET A 1 -8.423 -4.252 9.351 1.00 1.55 H new ATOM 0 HE1 MET A 1 -9.651 -6.982 11.535 1.00 2.89 H new ATOM 0 HE2 MET A 1 -10.054 -5.258 11.353 1.00 2.89 H new ATOM 0 HE3 MET A 1 -9.648 -6.232 9.921 1.00 2.89 H new ATOM 20 N VAL A 2 -3.894 -1.929 8.859 1.00 0.24 N ATOM 21 CA VAL A 2 -2.567 -1.758 8.194 1.00 0.19 C ATOM 22 C VAL A 2 -1.721 -3.017 8.425 1.00 0.22 C ATOM 23 O VAL A 2 -1.953 -3.769 9.351 1.00 0.28 O ATOM 24 CB VAL A 2 -1.854 -0.537 8.790 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.413 -0.474 8.275 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.595 0.738 8.376 1.00 0.30 C ATOM 0 H VAL A 2 -3.918 -1.675 9.847 1.00 0.24 H new ATOM 0 HA VAL A 2 -2.706 -1.607 7.124 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.846 -0.622 9.877 1.00 0.20 H new ATOM 0 HG11 VAL A 2 0.088 0.395 8.702 1.00 0.18 H new ATOM 0 HG12 VAL A 2 0.118 -1.380 8.568 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.418 -0.392 7.188 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.089 1.606 8.799 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.604 0.817 7.289 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.620 0.699 8.745 1.00 0.30 H new ATOM 36 N LYS A 3 -0.742 -3.251 7.590 1.00 0.18 N ATOM 37 CA LYS A 3 0.122 -4.460 7.761 1.00 0.22 C ATOM 38 C LYS A 3 1.490 -4.198 7.127 1.00 0.16 C ATOM 39 O LYS A 3 1.591 -3.838 5.970 1.00 0.13 O ATOM 40 CB LYS A 3 -0.528 -5.672 7.078 1.00 0.26 C ATOM 41 CG LYS A 3 0.140 -6.956 7.578 1.00 0.34 C ATOM 42 CD LYS A 3 -0.349 -8.146 6.753 1.00 0.81 C ATOM 43 CE LYS A 3 0.215 -9.441 7.342 1.00 1.37 C ATOM 44 NZ LYS A 3 -0.229 -10.599 6.517 1.00 1.97 N ATOM 0 H LYS A 3 -0.502 -2.657 6.796 1.00 0.18 H new ATOM 0 HA LYS A 3 0.239 -4.668 8.825 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.596 -5.696 7.295 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.424 -5.593 5.996 1.00 0.26 H new ATOM 0 HG2 LYS A 3 1.224 -6.868 7.500 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.092 -7.112 8.632 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.439 -8.179 6.752 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.033 -8.038 5.716 1.00 0.81 H new ATOM 0 HE2 LYS A 3 1.304 -9.397 7.369 1.00 1.37 H new ATOM 0 HE3 LYS A 3 -0.124 -9.563 8.371 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 0.009 -11.485 7.006 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -1.258 -10.548 6.373 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 0.252 -10.573 5.595 1.00 1.97 H new ATOM 58 N GLN A 4 2.547 -4.369 7.877 1.00 0.18 N ATOM 59 CA GLN A 4 3.911 -4.123 7.322 1.00 0.15 C ATOM 60 C GLN A 4 4.457 -5.413 6.697 1.00 0.13 C ATOM 61 O GLN A 4 4.399 -6.476 7.282 1.00 0.14 O ATOM 62 CB GLN A 4 4.840 -3.664 8.454 1.00 0.20 C ATOM 63 CG GLN A 4 6.303 -3.688 7.985 1.00 0.21 C ATOM 64 CD GLN A 4 7.166 -2.865 8.944 1.00 0.27 C ATOM 65 OE1 GLN A 4 7.604 -3.362 9.963 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.434 -1.621 8.659 1.00 0.98 N ATOM 0 H GLN A 4 2.525 -4.669 8.852 1.00 0.18 H new ATOM 0 HA GLN A 4 3.859 -3.351 6.555 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.569 -2.657 8.771 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.718 -4.314 9.320 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.665 -4.715 7.945 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.378 -3.284 6.975 1.00 0.21 H new ATOM 0 HE21 GLN A 4 7.067 -1.203 7.804 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.011 -1.066 9.291 1.00 0.98 H new ATOM 75 N ILE A 5 5.000 -5.309 5.512 1.00 0.10 N ATOM 76 CA ILE A 5 5.577 -6.502 4.819 1.00 0.10 C ATOM 77 C ILE A 5 7.102 -6.391 4.861 1.00 0.10 C ATOM 78 O ILE A 5 7.686 -5.562 4.191 1.00 0.11 O ATOM 79 CB ILE A 5 5.126 -6.503 3.355 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.631 -6.132 3.239 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.391 -7.870 2.722 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.745 -7.048 4.099 1.00 0.19 C ATOM 0 H ILE A 5 5.070 -4.437 4.987 1.00 0.10 H new ATOM 0 HA ILE A 5 5.244 -7.417 5.308 1.00 0.10 H new ATOM 0 HB ILE A 5 5.703 -5.750 2.817 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.489 -5.096 3.547 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.320 -6.200 2.197 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.066 -7.858 1.682 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.457 -8.091 2.767 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.838 -8.636 3.266 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.702 -6.753 3.989 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.866 -8.081 3.774 1.00 0.19 H new ATOM 0 HD13 ILE A 5 3.038 -6.960 5.145 1.00 0.19 H new ATOM 94 N GLU A 6 7.752 -7.209 5.643 1.00 0.11 N ATOM 95 CA GLU A 6 9.243 -7.139 5.732 1.00 0.14 C ATOM 96 C GLU A 6 9.870 -8.252 4.886 1.00 0.14 C ATOM 97 O GLU A 6 11.073 -8.316 4.729 1.00 0.17 O ATOM 98 CB GLU A 6 9.661 -7.320 7.191 1.00 0.18 C ATOM 99 CG GLU A 6 8.787 -6.448 8.093 1.00 0.31 C ATOM 100 CD GLU A 6 9.257 -6.586 9.542 1.00 1.20 C ATOM 101 OE1 GLU A 6 10.303 -6.048 9.860 1.00 1.97 O ATOM 102 OE2 GLU A 6 8.561 -7.230 10.310 1.00 1.96 O ATOM 0 H GLU A 6 7.317 -7.924 6.226 1.00 0.11 H new ATOM 0 HA GLU A 6 9.584 -6.173 5.360 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.565 -8.367 7.479 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.710 -7.050 7.314 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.845 -5.406 7.778 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.743 -6.749 8.007 1.00 0.31 H new ATOM 109 N SER A 7 9.072 -9.135 4.342 1.00 0.13 N ATOM 110 CA SER A 7 9.640 -10.242 3.514 1.00 0.15 C ATOM 111 C SER A 7 8.619 -10.691 2.465 1.00 0.14 C ATOM 112 O SER A 7 7.425 -10.562 2.646 1.00 0.12 O ATOM 113 CB SER A 7 9.991 -11.421 4.419 1.00 0.20 C ATOM 114 OG SER A 7 8.860 -11.756 5.213 1.00 0.23 O ATOM 0 H SER A 7 8.056 -9.138 4.434 1.00 0.13 H new ATOM 0 HA SER A 7 10.537 -9.886 3.007 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.295 -12.278 3.818 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.836 -11.165 5.058 1.00 0.20 H new ATOM 0 HG SER A 7 9.081 -12.514 5.794 1.00 0.23 H new ATOM 120 N LYS A 8 9.089 -11.218 1.366 1.00 0.15 N ATOM 121 CA LYS A 8 8.162 -11.681 0.295 1.00 0.14 C ATOM 122 C LYS A 8 7.122 -12.638 0.883 1.00 0.14 C ATOM 123 O LYS A 8 5.990 -12.685 0.445 1.00 0.13 O ATOM 124 CB LYS A 8 8.966 -12.404 -0.790 1.00 0.17 C ATOM 125 CG LYS A 8 8.110 -12.553 -2.050 1.00 0.21 C ATOM 126 CD LYS A 8 8.924 -13.251 -3.143 1.00 0.22 C ATOM 127 CE LYS A 8 8.047 -13.461 -4.379 1.00 1.06 C ATOM 128 NZ LYS A 8 8.821 -14.192 -5.420 1.00 1.90 N ATOM 0 H LYS A 8 10.080 -11.348 1.164 1.00 0.15 H new ATOM 0 HA LYS A 8 7.651 -10.821 -0.137 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.873 -11.844 -1.018 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.278 -13.385 -0.432 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.213 -13.130 -1.826 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.781 -11.573 -2.397 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.796 -12.650 -3.401 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.294 -14.210 -2.779 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.153 -14.025 -4.112 1.00 1.06 H new ATOM 0 HE3 LYS A 8 7.712 -12.499 -4.768 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 8.225 -14.335 -6.260 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 9.661 -13.637 -5.682 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 9.119 -15.116 -5.046 1.00 1.90 H new ATOM 142 N THR A 9 7.494 -13.409 1.867 1.00 0.16 N ATOM 143 CA THR A 9 6.520 -14.364 2.469 1.00 0.18 C ATOM 144 C THR A 9 5.319 -13.594 3.023 1.00 0.16 C ATOM 145 O THR A 9 4.184 -14.000 2.871 1.00 0.17 O ATOM 146 CB THR A 9 7.203 -15.142 3.594 1.00 0.21 C ATOM 147 OG1 THR A 9 8.505 -15.529 3.179 1.00 0.24 O ATOM 148 CG2 THR A 9 6.383 -16.390 3.936 1.00 0.25 C ATOM 0 H THR A 9 8.427 -13.420 2.280 1.00 0.16 H new ATOM 0 HA THR A 9 6.174 -15.061 1.706 1.00 0.18 H new ATOM 0 HB THR A 9 7.275 -14.507 4.477 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.944 -16.026 3.900 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.875 -16.940 4.738 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.385 -16.093 4.259 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.305 -17.027 3.055 1.00 0.25 H new ATOM 156 N ALA A 10 5.562 -12.486 3.666 1.00 0.16 N ATOM 157 CA ALA A 10 4.439 -11.687 4.235 1.00 0.17 C ATOM 158 C ALA A 10 3.636 -11.036 3.101 1.00 0.15 C ATOM 159 O ALA A 10 2.466 -10.745 3.247 1.00 0.17 O ATOM 160 CB ALA A 10 5.013 -10.609 5.165 1.00 0.20 C ATOM 0 H ALA A 10 6.492 -12.098 3.823 1.00 0.16 H new ATOM 0 HA ALA A 10 3.774 -12.338 4.802 1.00 0.17 H new ATOM 0 HB1 ALA A 10 4.198 -10.020 5.586 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.571 -11.084 5.972 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.678 -9.957 4.599 1.00 0.20 H new ATOM 166 N PHE A 11 4.251 -10.803 1.971 1.00 0.12 N ATOM 167 CA PHE A 11 3.511 -10.169 0.839 1.00 0.11 C ATOM 168 C PHE A 11 2.332 -11.050 0.433 1.00 0.13 C ATOM 169 O PHE A 11 1.189 -10.681 0.599 1.00 0.16 O ATOM 170 CB PHE A 11 4.450 -9.993 -0.360 1.00 0.10 C ATOM 171 CG PHE A 11 3.689 -9.394 -1.521 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.255 -8.055 -1.462 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.414 -10.170 -2.665 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.549 -7.493 -2.543 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.707 -9.608 -3.746 1.00 0.18 C ATOM 176 CZ PHE A 11 2.275 -8.269 -3.685 1.00 0.21 C ATOM 0 H PHE A 11 5.229 -11.023 1.783 1.00 0.12 H new ATOM 0 HA PHE A 11 3.142 -9.194 1.158 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.285 -9.347 -0.088 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.872 -10.956 -0.648 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.464 -7.459 -0.586 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.746 -11.197 -2.713 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.218 -6.466 -2.496 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.496 -10.204 -4.622 1.00 0.18 H new ATOM 0 HZ PHE A 11 1.734 -7.838 -4.514 1.00 0.21 H new ATOM 186 N GLN A 12 2.597 -12.207 -0.105 1.00 0.15 N ATOM 187 CA GLN A 12 1.485 -13.100 -0.530 1.00 0.19 C ATOM 188 C GLN A 12 0.533 -13.334 0.645 1.00 0.17 C ATOM 189 O GLN A 12 -0.672 -13.276 0.499 1.00 0.16 O ATOM 190 CB GLN A 12 2.060 -14.439 -0.994 1.00 0.24 C ATOM 191 CG GLN A 12 2.985 -14.211 -2.189 1.00 1.21 C ATOM 192 CD GLN A 12 2.160 -13.759 -3.395 1.00 1.77 C ATOM 193 OE1 GLN A 12 1.056 -14.225 -3.599 1.00 2.35 O ATOM 194 NE2 GLN A 12 2.650 -12.864 -4.208 1.00 2.47 N ATOM 0 H GLN A 12 3.535 -12.573 -0.269 1.00 0.15 H new ATOM 0 HA GLN A 12 0.938 -12.632 -1.349 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.610 -14.912 -0.180 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.253 -15.117 -1.270 1.00 0.24 H new ATOM 0 HG2 GLN A 12 3.734 -13.457 -1.944 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.523 -15.129 -2.426 1.00 1.21 H new ATOM 0 HE21 GLN A 12 3.576 -12.473 -4.037 1.00 2.47 H new ATOM 0 HE22 GLN A 12 2.107 -12.556 -5.014 1.00 2.47 H new ATOM 203 N GLU A 13 1.060 -13.602 1.807 1.00 0.19 N ATOM 204 CA GLU A 13 0.181 -13.845 2.982 1.00 0.20 C ATOM 205 C GLU A 13 -0.704 -12.620 3.232 1.00 0.18 C ATOM 206 O GLU A 13 -1.851 -12.744 3.614 1.00 0.19 O ATOM 207 CB GLU A 13 1.051 -14.122 4.214 1.00 0.25 C ATOM 208 CG GLU A 13 1.537 -15.576 4.200 1.00 0.30 C ATOM 209 CD GLU A 13 2.286 -15.874 5.501 1.00 1.29 C ATOM 210 OE1 GLU A 13 1.704 -15.678 6.555 1.00 2.03 O ATOM 211 OE2 GLU A 13 3.429 -16.294 5.422 1.00 2.10 O ATOM 0 H GLU A 13 2.061 -13.663 1.993 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.458 -14.706 2.788 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.905 -13.445 4.225 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.480 -13.930 5.123 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.690 -16.253 4.092 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.191 -15.744 3.344 1.00 0.30 H new ATOM 218 N ALA A 14 -0.191 -11.439 3.024 1.00 0.18 N ATOM 219 CA ALA A 14 -1.020 -10.222 3.256 1.00 0.18 C ATOM 220 C ALA A 14 -2.250 -10.273 2.344 1.00 0.18 C ATOM 221 O ALA A 14 -3.367 -10.064 2.774 1.00 0.19 O ATOM 222 CB ALA A 14 -0.194 -8.977 2.935 1.00 0.20 C ATOM 0 H ALA A 14 0.762 -11.264 2.705 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.338 -10.184 4.298 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.798 -8.086 3.104 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.685 -8.947 3.579 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.122 -9.009 1.892 1.00 0.20 H new ATOM 228 N LEU A 15 -2.046 -10.558 1.086 1.00 0.17 N ATOM 229 CA LEU A 15 -3.191 -10.635 0.132 1.00 0.18 C ATOM 230 C LEU A 15 -4.112 -11.790 0.536 1.00 0.18 C ATOM 231 O LEU A 15 -5.321 -11.692 0.454 1.00 0.18 O ATOM 232 CB LEU A 15 -2.655 -10.873 -1.287 1.00 0.19 C ATOM 233 CG LEU A 15 -1.392 -10.034 -1.511 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.958 -10.150 -2.974 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.682 -8.567 -1.184 1.00 0.62 C ATOM 0 H LEU A 15 -1.130 -10.742 0.676 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.752 -9.701 0.155 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.430 -11.930 -1.429 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.415 -10.607 -2.022 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.597 -10.399 -0.861 1.00 0.24 H new ATOM 0 HD11 LEU A 15 -0.060 -9.554 -3.135 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.748 -11.193 -3.210 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.756 -9.785 -3.620 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.782 -7.974 -1.344 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.478 -8.200 -1.832 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.993 -8.481 -0.143 1.00 0.62 H new ATOM 247 N ASP A 16 -3.548 -12.883 0.968 1.00 0.19 N ATOM 248 CA ASP A 16 -4.385 -14.046 1.374 1.00 0.21 C ATOM 249 C ASP A 16 -5.233 -13.672 2.593 1.00 0.20 C ATOM 250 O ASP A 16 -6.406 -13.981 2.660 1.00 0.20 O ATOM 251 CB ASP A 16 -3.475 -15.225 1.725 1.00 0.24 C ATOM 252 CG ASP A 16 -4.307 -16.505 1.820 1.00 0.28 C ATOM 253 OD1 ASP A 16 -4.793 -16.793 2.902 1.00 1.09 O ATOM 254 OD2 ASP A 16 -4.444 -17.177 0.811 1.00 1.07 O ATOM 0 H ASP A 16 -2.541 -13.021 1.058 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.044 -14.324 0.551 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.701 -15.338 0.966 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.969 -15.037 2.672 1.00 0.24 H new ATOM 259 N ALA A 17 -4.650 -13.016 3.559 1.00 0.22 N ATOM 260 CA ALA A 17 -5.426 -12.631 4.772 1.00 0.24 C ATOM 261 C ALA A 17 -6.271 -11.388 4.478 1.00 0.21 C ATOM 262 O ALA A 17 -7.162 -11.042 5.228 1.00 0.22 O ATOM 263 CB ALA A 17 -4.458 -12.327 5.918 1.00 0.30 C ATOM 0 H ALA A 17 -3.671 -12.730 3.561 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.084 -13.453 5.053 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.023 -12.045 6.806 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.860 -13.213 6.134 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.800 -11.507 5.631 1.00 0.30 H new ATOM 269 N ALA A 18 -5.999 -10.712 3.395 1.00 0.21 N ATOM 270 CA ALA A 18 -6.790 -9.492 3.062 1.00 0.22 C ATOM 271 C ALA A 18 -8.225 -9.890 2.703 1.00 0.21 C ATOM 272 O ALA A 18 -9.083 -9.050 2.517 1.00 0.24 O ATOM 273 CB ALA A 18 -6.147 -8.775 1.874 1.00 0.23 C ATOM 0 H ALA A 18 -5.265 -10.951 2.728 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.805 -8.826 3.924 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.725 -7.884 1.631 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.128 -8.487 2.131 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.129 -9.442 1.012 1.00 0.23 H new ATOM 279 N GLY A 19 -8.492 -11.163 2.604 1.00 0.22 N ATOM 280 CA GLY A 19 -9.872 -11.608 2.257 1.00 0.24 C ATOM 281 C GLY A 19 -10.177 -11.241 0.804 1.00 0.20 C ATOM 282 O GLY A 19 -9.594 -11.780 -0.116 1.00 0.28 O ATOM 0 H GLY A 19 -7.816 -11.913 2.748 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.964 -12.685 2.398 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.596 -11.136 2.922 1.00 0.24 H new ATOM 286 N ASP A 20 -11.092 -10.327 0.590 1.00 0.13 N ATOM 287 CA ASP A 20 -11.447 -9.917 -0.806 1.00 0.18 C ATOM 288 C ASP A 20 -11.588 -8.394 -0.874 1.00 0.15 C ATOM 289 O ASP A 20 -11.910 -7.840 -1.905 1.00 0.22 O ATOM 290 CB ASP A 20 -12.775 -10.566 -1.202 1.00 0.26 C ATOM 291 CG ASP A 20 -13.186 -10.082 -2.594 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.585 -10.531 -3.557 1.00 2.19 O ATOM 293 OD2 ASP A 20 -14.094 -9.271 -2.675 1.00 2.21 O ATOM 0 H ASP A 20 -11.610 -9.845 1.325 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.661 -10.240 -1.489 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.677 -11.652 -1.197 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.547 -10.313 -0.475 1.00 0.26 H new ATOM 298 N LYS A 21 -11.338 -7.708 0.209 1.00 0.12 N ATOM 299 CA LYS A 21 -11.448 -6.226 0.183 1.00 0.19 C ATOM 300 C LYS A 21 -10.319 -5.667 -0.684 1.00 0.15 C ATOM 301 O LYS A 21 -9.391 -6.369 -1.034 1.00 0.15 O ATOM 302 CB LYS A 21 -11.319 -5.689 1.612 1.00 0.27 C ATOM 303 CG LYS A 21 -12.654 -5.832 2.346 1.00 0.29 C ATOM 304 CD LYS A 21 -12.434 -5.602 3.842 1.00 0.30 C ATOM 305 CE LYS A 21 -13.778 -5.345 4.527 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.578 -5.270 6.002 1.00 1.90 N ATOM 0 H LYS A 21 -11.064 -8.110 1.105 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.411 -5.924 -0.229 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.541 -6.235 2.146 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.017 -4.642 1.590 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.375 -5.112 1.958 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.071 -6.825 2.176 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.949 -6.471 4.286 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.768 -4.753 3.995 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.213 -4.415 4.161 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.480 -6.143 4.285 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.491 -5.095 6.468 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.181 -6.168 6.345 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -12.922 -4.494 6.224 1.00 1.90 H new ATOM 320 N LEU A 22 -10.385 -4.414 -1.038 1.00 0.13 N ATOM 321 CA LEU A 22 -9.309 -3.834 -1.883 1.00 0.11 C ATOM 322 C LEU A 22 -7.989 -3.894 -1.098 1.00 0.10 C ATOM 323 O LEU A 22 -7.987 -4.060 0.106 1.00 0.11 O ATOM 324 CB LEU A 22 -9.678 -2.372 -2.225 1.00 0.12 C ATOM 325 CG LEU A 22 -9.421 -2.046 -3.708 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.695 -0.556 -3.942 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.965 -2.351 -4.092 1.00 0.11 C ATOM 0 H LEU A 22 -11.134 -3.771 -0.780 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.197 -4.393 -2.812 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.729 -2.199 -1.992 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.097 -1.695 -1.599 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.080 -2.661 -4.321 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.516 -0.313 -4.989 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.732 -0.333 -3.690 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.032 0.039 -3.313 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.809 -2.113 -5.144 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.294 -1.749 -3.480 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.758 -3.408 -3.925 1.00 0.11 H new ATOM 339 N VAL A 23 -6.870 -3.760 -1.762 1.00 0.08 N ATOM 340 CA VAL A 23 -5.559 -3.810 -1.046 1.00 0.09 C ATOM 341 C VAL A 23 -4.584 -2.828 -1.703 1.00 0.08 C ATOM 342 O VAL A 23 -4.042 -3.089 -2.759 1.00 0.09 O ATOM 343 CB VAL A 23 -4.988 -5.230 -1.130 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.871 -5.398 -0.096 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.099 -6.244 -0.844 1.00 0.10 C ATOM 0 H VAL A 23 -6.807 -3.618 -2.770 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.702 -3.536 -0.001 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.586 -5.398 -2.129 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.467 -6.408 -0.158 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.078 -4.677 -0.296 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.272 -5.228 0.903 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.694 -7.254 -0.904 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.500 -6.072 0.155 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.895 -6.129 -1.579 1.00 0.10 H new ATOM 355 N VAL A 24 -4.352 -1.699 -1.077 1.00 0.08 N ATOM 356 CA VAL A 24 -3.408 -0.687 -1.646 1.00 0.08 C ATOM 357 C VAL A 24 -2.081 -0.774 -0.891 1.00 0.08 C ATOM 358 O VAL A 24 -2.043 -0.794 0.323 1.00 0.08 O ATOM 359 CB VAL A 24 -4.007 0.714 -1.498 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.272 1.693 -2.416 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.487 0.673 -1.880 1.00 0.09 C ATOM 0 H VAL A 24 -4.780 -1.434 -0.190 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.240 -0.885 -2.704 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.902 1.044 -0.464 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.703 2.688 -2.306 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.216 1.723 -2.146 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.372 1.366 -3.451 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.917 1.669 -1.776 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.587 0.341 -2.913 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.013 -0.020 -1.223 1.00 0.09 H new ATOM 371 N VAL A 25 -0.991 -0.846 -1.611 1.00 0.09 N ATOM 372 CA VAL A 25 0.355 -0.957 -0.964 1.00 0.09 C ATOM 373 C VAL A 25 1.105 0.365 -1.102 1.00 0.10 C ATOM 374 O VAL A 25 1.114 0.973 -2.151 1.00 0.17 O ATOM 375 CB VAL A 25 1.153 -2.055 -1.675 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.328 -2.497 -0.799 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.237 -3.248 -1.945 1.00 0.09 C ATOM 0 H VAL A 25 -0.974 -0.833 -2.631 1.00 0.09 H new ATOM 0 HA VAL A 25 0.234 -1.197 0.092 1.00 0.09 H new ATOM 0 HB VAL A 25 1.540 -1.668 -2.618 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.890 -3.278 -1.311 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.981 -1.645 -0.609 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.951 -2.884 0.148 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.800 -4.032 -2.451 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.150 -3.631 -1.001 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.594 -2.933 -2.576 1.00 0.09 H new ATOM 387 N ASP A 26 1.748 0.799 -0.053 1.00 0.08 N ATOM 388 CA ASP A 26 2.523 2.074 -0.103 1.00 0.08 C ATOM 389 C ASP A 26 4.018 1.750 -0.043 1.00 0.08 C ATOM 390 O ASP A 26 4.552 1.440 1.003 1.00 0.09 O ATOM 391 CB ASP A 26 2.138 2.945 1.095 1.00 0.09 C ATOM 392 CG ASP A 26 3.028 4.190 1.134 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.293 4.737 0.076 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.428 4.574 2.221 1.00 0.96 O ATOM 0 H ASP A 26 1.770 0.320 0.847 1.00 0.08 H new ATOM 0 HA ASP A 26 2.301 2.610 -1.026 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.090 3.237 1.023 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.248 2.378 2.020 1.00 0.09 H new ATOM 399 N PHE A 27 4.698 1.826 -1.154 1.00 0.08 N ATOM 400 CA PHE A 27 6.157 1.530 -1.157 1.00 0.09 C ATOM 401 C PHE A 27 6.904 2.805 -0.771 1.00 0.11 C ATOM 402 O PHE A 27 7.379 3.536 -1.621 1.00 0.13 O ATOM 403 CB PHE A 27 6.585 1.110 -2.567 1.00 0.10 C ATOM 404 CG PHE A 27 6.215 -0.336 -2.827 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.888 -0.688 -3.144 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.208 -1.330 -2.769 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.556 -2.035 -3.399 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.879 -2.674 -3.027 1.00 0.21 C ATOM 409 CZ PHE A 27 5.554 -3.026 -3.342 1.00 0.23 C ATOM 0 H PHE A 27 4.305 2.081 -2.060 1.00 0.08 H new ATOM 0 HA PHE A 27 6.381 0.728 -0.454 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.105 1.752 -3.305 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.661 1.242 -2.681 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.124 0.074 -3.192 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.225 -1.062 -2.526 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.538 -2.305 -3.638 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.644 -3.435 -2.983 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.302 -4.057 -3.540 1.00 0.23 H new ATOM 419 N SER A 28 6.996 3.082 0.508 1.00 0.11 N ATOM 420 CA SER A 28 7.702 4.316 0.982 1.00 0.12 C ATOM 421 C SER A 28 8.963 3.925 1.753 1.00 0.10 C ATOM 422 O SER A 28 8.998 2.921 2.435 1.00 0.11 O ATOM 423 CB SER A 28 6.772 5.106 1.904 1.00 0.17 C ATOM 424 OG SER A 28 5.550 5.369 1.227 1.00 1.03 O ATOM 0 H SER A 28 6.609 2.500 1.251 1.00 0.11 H new ATOM 0 HA SER A 28 7.978 4.927 0.123 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.581 4.542 2.817 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.245 6.042 2.201 1.00 0.17 H new ATOM 0 HG SER A 28 4.844 5.544 1.883 1.00 1.03 H new ATOM 430 N ALA A 29 9.997 4.719 1.659 1.00 0.10 N ATOM 431 CA ALA A 29 11.257 4.406 2.397 1.00 0.15 C ATOM 432 C ALA A 29 11.205 5.081 3.774 1.00 0.18 C ATOM 433 O ALA A 29 10.893 6.249 3.893 1.00 0.26 O ATOM 434 CB ALA A 29 12.456 4.928 1.586 1.00 0.19 C ATOM 0 H ALA A 29 10.024 5.573 1.102 1.00 0.10 H new ATOM 0 HA ALA A 29 11.364 3.330 2.532 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.381 4.704 2.118 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.473 4.444 0.609 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.365 6.006 1.455 1.00 0.19 H new ATOM 440 N THR A 30 11.498 4.348 4.811 1.00 0.18 N ATOM 441 CA THR A 30 11.454 4.933 6.184 1.00 0.23 C ATOM 442 C THR A 30 12.550 5.992 6.354 1.00 0.26 C ATOM 443 O THR A 30 12.441 6.879 7.177 1.00 0.31 O ATOM 444 CB THR A 30 11.664 3.820 7.215 1.00 0.26 C ATOM 445 OG1 THR A 30 11.678 4.382 8.520 1.00 0.32 O ATOM 446 CG2 THR A 30 12.995 3.116 6.944 1.00 0.28 C ATOM 0 H THR A 30 11.767 3.365 4.769 1.00 0.18 H new ATOM 0 HA THR A 30 10.483 5.405 6.333 1.00 0.23 H new ATOM 0 HB THR A 30 10.852 3.096 7.141 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.811 3.671 9.181 1.00 0.32 H new ATOM 0 HG21 THR A 30 13.144 2.324 7.678 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.981 2.685 5.943 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.809 3.837 7.018 1.00 0.28 H new ATOM 454 N TRP A 31 13.612 5.900 5.599 1.00 0.26 N ATOM 455 CA TRP A 31 14.720 6.896 5.736 1.00 0.32 C ATOM 456 C TRP A 31 14.478 8.093 4.816 1.00 0.32 C ATOM 457 O TRP A 31 15.130 9.112 4.928 1.00 0.36 O ATOM 458 CB TRP A 31 16.042 6.230 5.346 1.00 0.34 C ATOM 459 CG TRP A 31 16.029 5.902 3.888 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.575 4.745 3.357 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.475 6.722 2.772 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.729 4.793 1.982 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.274 5.994 1.570 1.00 0.29 C ATOM 464 CE3 TRP A 31 17.035 8.018 2.685 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.616 6.532 0.320 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.378 8.564 1.431 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.170 7.823 0.251 1.00 0.40 C ATOM 0 H TRP A 31 13.762 5.179 4.893 1.00 0.26 H new ATOM 0 HA TRP A 31 14.758 7.242 6.769 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.876 6.895 5.572 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.190 5.323 5.932 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.160 3.918 3.914 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.472 4.035 1.350 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.201 8.593 3.584 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.455 5.960 -0.582 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.802 9.556 1.375 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.436 8.246 -0.706 1.00 0.40 H new ATOM 478 N CYS A 32 13.565 7.970 3.892 1.00 0.28 N ATOM 479 CA CYS A 32 13.301 9.092 2.943 1.00 0.30 C ATOM 480 C CYS A 32 12.129 9.941 3.450 1.00 0.31 C ATOM 481 O CYS A 32 11.082 9.437 3.804 1.00 0.29 O ATOM 482 CB CYS A 32 12.986 8.495 1.565 1.00 0.28 C ATOM 483 SG CYS A 32 13.524 9.640 0.267 1.00 0.32 S ATOM 0 H CYS A 32 12.989 7.140 3.752 1.00 0.28 H new ATOM 0 HA CYS A 32 14.175 9.739 2.868 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.491 7.536 1.449 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.916 8.305 1.476 1.00 0.28 H new ATOM 488 N GLY A 33 12.317 11.232 3.497 1.00 0.34 N ATOM 489 CA GLY A 33 11.247 12.145 3.988 1.00 0.36 C ATOM 490 C GLY A 33 10.102 12.281 2.969 1.00 0.35 C ATOM 491 O GLY A 33 8.960 12.074 3.320 1.00 0.33 O ATOM 0 H GLY A 33 13.178 11.698 3.212 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.852 11.768 4.931 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.672 13.128 4.191 1.00 0.36 H new ATOM 495 N PRO A 34 10.421 12.652 1.745 1.00 0.37 N ATOM 496 CA PRO A 34 9.394 12.851 0.699 1.00 0.38 C ATOM 497 C PRO A 34 8.416 11.671 0.650 1.00 0.35 C ATOM 498 O PRO A 34 7.242 11.843 0.389 1.00 0.36 O ATOM 499 CB PRO A 34 10.203 12.989 -0.610 1.00 0.42 C ATOM 500 CG PRO A 34 11.667 13.299 -0.192 1.00 0.44 C ATOM 501 CD PRO A 34 11.809 12.895 1.292 1.00 0.40 C ATOM 0 HA PRO A 34 8.771 13.726 0.884 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.153 12.071 -1.196 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.800 13.787 -1.233 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.371 12.743 -0.812 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.890 14.357 -0.326 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.425 12.002 1.403 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.284 13.684 1.874 1.00 0.40 H new ATOM 509 N ALA A 35 8.878 10.482 0.903 1.00 0.33 N ATOM 510 CA ALA A 35 7.953 9.318 0.871 1.00 0.32 C ATOM 511 C ALA A 35 7.115 9.309 2.153 1.00 0.39 C ATOM 512 O ALA A 35 5.905 9.411 2.120 1.00 0.81 O ATOM 513 CB ALA A 35 8.768 8.025 0.768 1.00 0.36 C ATOM 0 H ALA A 35 9.849 10.265 1.129 1.00 0.33 H new ATOM 0 HA ALA A 35 7.291 9.391 0.008 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.092 7.170 0.744 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.364 8.042 -0.145 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.429 7.942 1.631 1.00 0.36 H new ATOM 519 N LYS A 36 7.758 9.195 3.280 1.00 0.30 N ATOM 520 CA LYS A 36 7.019 9.183 4.574 1.00 0.28 C ATOM 521 C LYS A 36 6.224 10.483 4.736 1.00 0.24 C ATOM 522 O LYS A 36 5.317 10.568 5.540 1.00 0.25 O ATOM 523 CB LYS A 36 8.030 9.060 5.719 1.00 0.35 C ATOM 524 CG LYS A 36 7.308 9.196 7.067 1.00 0.38 C ATOM 525 CD LYS A 36 8.252 8.792 8.203 1.00 0.49 C ATOM 526 CE LYS A 36 7.462 8.695 9.510 1.00 1.22 C ATOM 527 NZ LYS A 36 6.498 9.828 9.593 1.00 1.92 N ATOM 0 H LYS A 36 8.771 9.109 3.362 1.00 0.30 H new ATOM 0 HA LYS A 36 6.328 8.340 4.591 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.540 8.098 5.665 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.794 9.832 5.626 1.00 0.35 H new ATOM 0 HG2 LYS A 36 6.973 10.223 7.208 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.419 8.566 7.079 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.722 7.835 7.977 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.053 9.524 8.303 1.00 0.49 H new ATOM 0 HE2 LYS A 36 6.928 7.746 9.555 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.142 8.719 10.361 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 5.985 9.782 10.496 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 7.015 10.729 9.534 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 5.820 9.766 8.806 1.00 1.92 H new ATOM 541 N MET A 37 6.564 11.500 3.996 1.00 0.23 N ATOM 542 CA MET A 37 5.838 12.793 4.132 1.00 0.24 C ATOM 543 C MET A 37 4.350 12.598 3.830 1.00 0.20 C ATOM 544 O MET A 37 3.524 13.399 4.221 1.00 0.20 O ATOM 545 CB MET A 37 6.426 13.822 3.159 1.00 0.29 C ATOM 546 CG MET A 37 5.778 15.192 3.391 1.00 1.31 C ATOM 547 SD MET A 37 6.832 16.481 2.679 1.00 2.12 S ATOM 548 CE MET A 37 5.809 17.899 3.145 1.00 3.13 C ATOM 0 H MET A 37 7.313 11.492 3.303 1.00 0.23 H new ATOM 0 HA MET A 37 5.950 13.153 5.155 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.505 13.892 3.299 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.258 13.500 2.131 1.00 0.29 H new ATOM 0 HG2 MET A 37 4.789 15.221 2.934 1.00 1.31 H new ATOM 0 HG3 MET A 37 5.641 15.366 4.458 1.00 1.31 H new ATOM 0 HE1 MET A 37 6.281 18.818 2.797 1.00 3.13 H new ATOM 0 HE2 MET A 37 4.824 17.802 2.689 1.00 3.13 H new ATOM 0 HE3 MET A 37 5.705 17.932 4.230 1.00 3.13 H new ATOM 558 N ILE A 38 4.002 11.553 3.124 1.00 0.18 N ATOM 559 CA ILE A 38 2.565 11.317 2.776 1.00 0.15 C ATOM 560 C ILE A 38 1.951 10.272 3.709 1.00 0.16 C ATOM 561 O ILE A 38 0.878 9.765 3.455 1.00 0.16 O ATOM 562 CB ILE A 38 2.472 10.826 1.326 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.165 11.849 0.408 1.00 0.17 C ATOM 564 CG2 ILE A 38 0.991 10.668 0.908 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.325 11.280 -1.022 1.00 0.28 C ATOM 0 H ILE A 38 4.652 10.850 2.772 1.00 0.18 H new ATOM 0 HA ILE A 38 2.015 12.251 2.890 1.00 0.15 H new ATOM 0 HB ILE A 38 2.963 9.856 1.239 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.582 12.769 0.375 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.143 12.106 0.814 1.00 0.17 H new ATOM 0 HG21 ILE A 38 0.939 10.319 -0.123 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.504 9.944 1.561 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.485 11.630 0.991 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.817 12.019 -1.655 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.928 10.373 -0.987 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.343 11.047 -1.433 1.00 0.28 H new ATOM 577 N LYS A 39 2.602 9.936 4.795 1.00 0.19 N ATOM 578 CA LYS A 39 1.998 8.918 5.699 1.00 0.22 C ATOM 579 C LYS A 39 0.728 9.428 6.413 1.00 0.20 C ATOM 580 O LYS A 39 -0.139 8.632 6.699 1.00 0.21 O ATOM 581 CB LYS A 39 3.025 8.346 6.713 1.00 0.31 C ATOM 582 CG LYS A 39 3.271 9.279 7.922 1.00 0.34 C ATOM 583 CD LYS A 39 3.812 8.458 9.106 1.00 0.45 C ATOM 584 CE LYS A 39 2.715 7.533 9.681 1.00 1.16 C ATOM 585 NZ LYS A 39 2.882 6.160 9.125 1.00 1.62 N ATOM 0 H LYS A 39 3.503 10.313 5.087 1.00 0.19 H new ATOM 0 HA LYS A 39 1.687 8.097 5.052 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.671 7.380 7.074 1.00 0.31 H new ATOM 0 HB3 LYS A 39 3.971 8.168 6.201 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.982 10.060 7.653 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.343 9.776 8.205 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.664 7.861 8.781 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.173 9.130 9.885 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.780 7.507 10.769 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.728 7.921 9.430 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 1.984 5.843 8.708 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.620 6.170 8.392 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.159 5.508 9.887 1.00 1.62 H new ATOM 599 N PRO A 40 0.620 10.711 6.723 1.00 0.20 N ATOM 600 CA PRO A 40 -0.574 11.191 7.437 1.00 0.21 C ATOM 601 C PRO A 40 -1.817 10.992 6.564 1.00 0.17 C ATOM 602 O PRO A 40 -2.928 11.241 6.987 1.00 0.20 O ATOM 603 CB PRO A 40 -0.297 12.680 7.733 1.00 0.24 C ATOM 604 CG PRO A 40 1.148 12.984 7.243 1.00 0.25 C ATOM 605 CD PRO A 40 1.607 11.772 6.407 1.00 0.21 C ATOM 0 HA PRO A 40 -0.766 10.646 8.361 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -1.019 13.315 7.220 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.393 12.885 8.799 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.168 13.895 6.645 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.816 13.144 8.089 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.614 12.004 5.342 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.619 11.466 6.673 1.00 0.21 H new ATOM 613 N PHE A 41 -1.631 10.537 5.350 1.00 0.14 N ATOM 614 CA PHE A 41 -2.789 10.303 4.432 1.00 0.14 C ATOM 615 C PHE A 41 -2.958 8.799 4.212 1.00 0.11 C ATOM 616 O PHE A 41 -3.827 8.181 4.788 1.00 0.13 O ATOM 617 CB PHE A 41 -2.527 11.005 3.094 1.00 0.15 C ATOM 618 CG PHE A 41 -2.844 12.473 3.247 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.925 13.325 3.886 1.00 0.19 C ATOM 620 CD2 PHE A 41 -4.068 12.983 2.771 1.00 0.26 C ATOM 621 CE1 PHE A 41 -2.227 14.690 4.047 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.373 14.347 2.935 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.452 15.202 3.573 1.00 0.27 C ATOM 0 H PHE A 41 -0.718 10.316 4.952 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.701 10.707 4.872 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.487 10.872 2.795 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.143 10.565 2.310 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.988 12.932 4.253 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.772 12.327 2.280 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.520 15.346 4.534 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.312 14.738 2.572 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.685 16.249 3.699 1.00 0.27 H new ATOM 633 N PHE A 42 -2.135 8.215 3.384 1.00 0.10 N ATOM 634 CA PHE A 42 -2.242 6.748 3.108 1.00 0.11 C ATOM 635 C PHE A 42 -2.530 5.969 4.398 1.00 0.11 C ATOM 636 O PHE A 42 -3.509 5.257 4.496 1.00 0.12 O ATOM 637 CB PHE A 42 -0.922 6.260 2.505 1.00 0.13 C ATOM 638 CG PHE A 42 -0.959 4.759 2.350 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.687 4.185 1.295 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.264 3.935 3.259 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.722 2.790 1.144 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.301 2.536 3.107 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.031 1.963 2.050 1.00 0.10 C ATOM 0 H PHE A 42 -1.387 8.692 2.882 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.064 6.579 2.412 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.757 6.732 1.536 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.089 6.549 3.146 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.220 4.817 0.600 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.296 4.376 4.070 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.280 2.350 0.331 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.231 1.903 3.802 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.061 0.890 1.934 1.00 0.10 H new ATOM 653 N HIS A 43 -1.685 6.089 5.381 1.00 0.14 N ATOM 654 CA HIS A 43 -1.911 5.347 6.654 1.00 0.16 C ATOM 655 C HIS A 43 -3.166 5.886 7.359 1.00 0.16 C ATOM 656 O HIS A 43 -3.883 5.147 8.005 1.00 0.18 O ATOM 657 CB HIS A 43 -0.649 5.475 7.539 1.00 0.21 C ATOM 658 CG HIS A 43 -0.989 5.380 9.003 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.901 4.194 9.714 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.453 6.318 9.891 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.305 4.447 10.973 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.654 5.728 11.134 1.00 0.39 N ATOM 0 H HIS A 43 -0.846 6.669 5.360 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.083 4.289 6.453 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.061 4.690 7.278 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.159 6.428 7.339 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.635 7.357 9.659 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.343 3.706 11.758 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.994 6.176 11.985 1.00 0.39 H new ATOM 670 N SER A 44 -3.444 7.154 7.242 1.00 0.20 N ATOM 671 CA SER A 44 -4.658 7.704 7.913 1.00 0.25 C ATOM 672 C SER A 44 -5.925 7.092 7.299 1.00 0.20 C ATOM 673 O SER A 44 -6.903 6.867 7.983 1.00 0.21 O ATOM 674 CB SER A 44 -4.693 9.222 7.749 1.00 0.34 C ATOM 675 OG SER A 44 -5.977 9.705 8.122 1.00 0.97 O ATOM 0 H SER A 44 -2.890 7.830 6.716 1.00 0.20 H new ATOM 0 HA SER A 44 -4.620 7.453 8.973 1.00 0.25 H new ATOM 0 HB2 SER A 44 -3.924 9.684 8.368 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.476 9.493 6.716 1.00 0.34 H new ATOM 0 HG SER A 44 -6.003 10.679 8.019 1.00 0.97 H new ATOM 681 N LEU A 45 -5.923 6.825 6.017 1.00 0.18 N ATOM 682 CA LEU A 45 -7.140 6.233 5.380 1.00 0.18 C ATOM 683 C LEU A 45 -7.583 4.998 6.167 1.00 0.16 C ATOM 684 O LEU A 45 -8.716 4.573 6.078 1.00 0.23 O ATOM 685 CB LEU A 45 -6.831 5.816 3.935 1.00 0.19 C ATOM 686 CG LEU A 45 -6.457 7.037 3.082 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.112 6.567 1.666 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.634 8.032 3.022 1.00 0.50 C ATOM 0 H LEU A 45 -5.138 6.990 5.387 1.00 0.18 H new ATOM 0 HA LEU A 45 -7.934 6.980 5.381 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.012 5.097 3.927 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.698 5.317 3.503 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.599 7.539 3.530 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.845 7.427 1.052 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.271 5.875 1.707 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -6.975 6.064 1.229 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.353 8.892 2.414 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.502 7.543 2.580 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.880 8.366 4.030 1.00 0.50 H new ATOM 700 N SER A 46 -6.703 4.415 6.933 1.00 0.20 N ATOM 701 CA SER A 46 -7.087 3.206 7.715 1.00 0.25 C ATOM 702 C SER A 46 -8.285 3.531 8.613 1.00 0.17 C ATOM 703 O SER A 46 -9.062 2.665 8.964 1.00 0.15 O ATOM 704 CB SER A 46 -5.910 2.761 8.581 1.00 0.36 C ATOM 705 OG SER A 46 -4.746 2.655 7.773 1.00 0.51 O ATOM 0 H SER A 46 -5.738 4.722 7.051 1.00 0.20 H new ATOM 0 HA SER A 46 -7.357 2.405 7.027 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.744 3.478 9.385 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.130 1.802 9.049 1.00 0.36 H new ATOM 0 HG SER A 46 -4.181 3.444 7.909 1.00 0.51 H new ATOM 711 N GLU A 47 -8.438 4.773 8.992 1.00 0.21 N ATOM 712 CA GLU A 47 -9.582 5.158 9.876 1.00 0.21 C ATOM 713 C GLU A 47 -10.745 5.672 9.027 1.00 0.18 C ATOM 714 O GLU A 47 -11.885 5.655 9.446 1.00 0.18 O ATOM 715 CB GLU A 47 -9.133 6.267 10.830 1.00 0.32 C ATOM 716 CG GLU A 47 -7.850 5.844 11.545 1.00 0.39 C ATOM 717 CD GLU A 47 -8.128 4.609 12.405 1.00 1.24 C ATOM 718 OE1 GLU A 47 -7.985 3.511 11.894 1.00 2.00 O ATOM 719 OE2 GLU A 47 -8.480 4.784 13.560 1.00 1.98 O ATOM 0 H GLU A 47 -7.820 5.540 8.728 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.905 4.285 10.444 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -8.964 7.190 10.276 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.917 6.472 11.559 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.070 5.624 10.816 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.483 6.659 12.168 1.00 0.39 H new ATOM 726 N LYS A 48 -10.470 6.133 7.837 1.00 0.18 N ATOM 727 CA LYS A 48 -11.565 6.654 6.965 1.00 0.17 C ATOM 728 C LYS A 48 -12.119 5.514 6.111 1.00 0.15 C ATOM 729 O LYS A 48 -13.220 5.586 5.603 1.00 0.18 O ATOM 730 CB LYS A 48 -11.009 7.748 6.052 1.00 0.21 C ATOM 731 CG LYS A 48 -12.165 8.442 5.329 1.00 0.26 C ATOM 732 CD LYS A 48 -11.631 9.632 4.531 1.00 1.09 C ATOM 733 CE LYS A 48 -12.802 10.404 3.920 1.00 1.51 C ATOM 734 NZ LYS A 48 -12.286 11.589 3.180 1.00 2.16 N ATOM 0 H LYS A 48 -9.536 6.172 7.430 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.361 7.066 7.585 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.444 8.473 6.637 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.319 7.316 5.327 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.665 7.739 4.662 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.908 8.780 6.051 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -11.049 10.287 5.180 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -10.961 9.285 3.745 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -13.365 9.758 3.246 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.489 10.723 4.704 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -13.083 12.113 2.765 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -11.768 12.209 3.835 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -11.647 11.274 2.422 1.00 2.16 H new ATOM 748 N TYR A 49 -11.360 4.460 5.952 1.00 0.13 N ATOM 749 CA TYR A 49 -11.827 3.297 5.134 1.00 0.13 C ATOM 750 C TYR A 49 -11.489 1.998 5.864 1.00 0.11 C ATOM 751 O TYR A 49 -10.670 1.219 5.419 1.00 0.11 O ATOM 752 CB TYR A 49 -11.128 3.319 3.770 1.00 0.15 C ATOM 753 CG TYR A 49 -11.782 4.359 2.890 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.085 4.141 2.409 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.097 5.544 2.558 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.706 5.104 1.596 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.716 6.510 1.746 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.023 6.291 1.262 1.00 0.21 C ATOM 759 OH TYR A 49 -13.632 7.238 0.466 1.00 0.24 O ATOM 0 H TYR A 49 -10.430 4.353 6.356 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.905 3.361 4.987 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.069 3.546 3.895 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.191 2.337 3.301 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.609 3.232 2.665 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.096 5.710 2.927 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.707 4.935 1.227 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.191 7.419 1.493 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.023 7.995 0.334 1.00 0.24 H new ATOM 769 N SER A 50 -12.123 1.752 6.976 1.00 0.12 N ATOM 770 CA SER A 50 -11.846 0.497 7.725 1.00 0.13 C ATOM 771 C SER A 50 -12.319 -0.689 6.885 1.00 0.13 C ATOM 772 O SER A 50 -12.161 -1.836 7.258 1.00 0.14 O ATOM 773 CB SER A 50 -12.601 0.521 9.054 1.00 0.16 C ATOM 774 OG SER A 50 -13.998 0.589 8.800 1.00 0.17 O ATOM 0 H SER A 50 -12.820 2.366 7.398 1.00 0.12 H new ATOM 0 HA SER A 50 -10.778 0.407 7.923 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.368 -0.372 9.634 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.286 1.378 9.649 1.00 0.16 H new ATOM 0 HG SER A 50 -14.485 0.603 9.650 1.00 0.17 H new ATOM 780 N ASN A 51 -12.905 -0.414 5.750 1.00 0.13 N ATOM 781 CA ASN A 51 -13.405 -1.504 4.863 1.00 0.15 C ATOM 782 C ASN A 51 -12.350 -1.819 3.799 1.00 0.13 C ATOM 783 O ASN A 51 -12.539 -2.684 2.966 1.00 0.14 O ATOM 784 CB ASN A 51 -14.694 -1.031 4.185 1.00 0.17 C ATOM 785 CG ASN A 51 -15.318 -2.181 3.393 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.821 -2.559 2.351 1.00 0.34 O ATOM 787 ND2 ASN A 51 -16.400 -2.756 3.845 1.00 0.32 N ATOM 0 H ASN A 51 -13.060 0.530 5.396 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.602 -2.402 5.448 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.398 -0.670 4.935 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.480 -0.194 3.520 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.827 -3.522 3.323 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.818 -2.440 4.720 1.00 0.32 H new ATOM 794 N VAL A 52 -11.241 -1.121 3.823 1.00 0.11 N ATOM 795 CA VAL A 52 -10.155 -1.362 2.817 1.00 0.10 C ATOM 796 C VAL A 52 -8.888 -1.833 3.531 1.00 0.10 C ATOM 797 O VAL A 52 -8.629 -1.478 4.663 1.00 0.11 O ATOM 798 CB VAL A 52 -9.854 -0.057 2.080 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.652 -0.253 1.149 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.079 0.357 1.260 1.00 0.12 C ATOM 0 H VAL A 52 -11.038 -0.387 4.502 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.481 -2.124 2.109 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.621 0.723 2.805 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.441 0.680 0.626 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.781 -0.545 1.736 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.878 -1.033 0.422 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.867 1.287 0.733 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.314 -0.424 0.537 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.930 0.503 1.925 1.00 0.12 H new ATOM 810 N ILE A 53 -8.095 -2.632 2.866 1.00 0.09 N ATOM 811 CA ILE A 53 -6.833 -3.142 3.480 1.00 0.09 C ATOM 812 C ILE A 53 -5.659 -2.293 2.979 1.00 0.09 C ATOM 813 O ILE A 53 -5.546 -2.016 1.801 1.00 0.14 O ATOM 814 CB ILE A 53 -6.618 -4.596 3.047 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.938 -5.384 3.151 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.526 -5.250 3.904 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.661 -5.124 4.486 1.00 0.17 C ATOM 0 H ILE A 53 -8.270 -2.956 1.915 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.898 -3.085 4.567 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.291 -4.609 2.007 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.592 -5.107 2.324 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.733 -6.450 3.051 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.383 -6.283 3.586 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.592 -4.701 3.784 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.826 -5.231 4.952 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.586 -5.699 4.517 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.018 -5.426 5.313 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.891 -4.062 4.575 1.00 0.17 H new ATOM 829 N PHE A 54 -4.788 -1.883 3.866 1.00 0.08 N ATOM 830 CA PHE A 54 -3.608 -1.051 3.462 1.00 0.08 C ATOM 831 C PHE A 54 -2.324 -1.766 3.876 1.00 0.08 C ATOM 832 O PHE A 54 -2.207 -2.255 4.979 1.00 0.11 O ATOM 833 CB PHE A 54 -3.687 0.305 4.163 1.00 0.08 C ATOM 834 CG PHE A 54 -4.927 1.031 3.697 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.961 1.599 2.410 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.048 1.135 4.542 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.116 2.273 1.967 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.204 1.807 4.099 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.237 2.377 2.813 1.00 0.09 C ATOM 0 H PHE A 54 -4.843 -2.090 4.863 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.610 -0.904 2.382 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.715 0.168 5.244 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.799 0.896 3.940 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.101 1.518 1.762 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.022 0.700 5.530 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.142 2.710 0.979 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.065 1.885 4.746 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.122 2.895 2.475 1.00 0.09 H new ATOM 849 N LEU A 55 -1.361 -1.841 2.992 1.00 0.08 N ATOM 850 CA LEU A 55 -0.070 -2.530 3.314 1.00 0.09 C ATOM 851 C LEU A 55 1.060 -1.495 3.308 1.00 0.09 C ATOM 852 O LEU A 55 0.874 -0.355 2.930 1.00 0.10 O ATOM 853 CB LEU A 55 0.224 -3.599 2.245 1.00 0.10 C ATOM 854 CG LEU A 55 -0.547 -4.898 2.531 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.040 -4.609 2.757 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.375 -5.841 1.333 1.00 0.12 C ATOM 0 H LEU A 55 -1.413 -1.451 2.051 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.142 -3.003 4.293 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.051 -3.219 1.261 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.294 -3.806 2.219 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.152 -5.360 3.436 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.565 -5.543 2.958 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.156 -3.938 3.608 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.459 -4.141 1.866 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.916 -6.769 1.519 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.770 -5.365 0.435 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.683 -6.061 1.192 1.00 0.12 H new ATOM 868 N GLU A 56 2.236 -1.893 3.714 1.00 0.09 N ATOM 869 CA GLU A 56 3.399 -0.954 3.726 1.00 0.09 C ATOM 870 C GLU A 56 4.654 -1.754 3.370 1.00 0.09 C ATOM 871 O GLU A 56 4.798 -2.892 3.768 1.00 0.10 O ATOM 872 CB GLU A 56 3.540 -0.334 5.124 1.00 0.09 C ATOM 873 CG GLU A 56 4.446 0.907 5.069 1.00 0.11 C ATOM 874 CD GLU A 56 4.242 1.748 6.333 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.168 2.310 6.481 1.00 1.31 O ATOM 876 OE2 GLU A 56 5.163 1.819 7.129 1.00 1.24 O ATOM 0 H GLU A 56 2.444 -2.837 4.041 1.00 0.09 H new ATOM 0 HA GLU A 56 3.255 -0.149 3.005 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.558 -0.059 5.508 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.958 -1.067 5.814 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.490 0.604 4.986 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.215 1.500 4.184 1.00 0.11 H new ATOM 883 N VAL A 57 5.549 -1.186 2.595 1.00 0.08 N ATOM 884 CA VAL A 57 6.780 -1.938 2.184 1.00 0.08 C ATOM 885 C VAL A 57 8.020 -1.045 2.300 1.00 0.09 C ATOM 886 O VAL A 57 8.002 0.118 1.944 1.00 0.14 O ATOM 887 CB VAL A 57 6.630 -2.388 0.721 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.950 -2.996 0.229 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.517 -3.434 0.607 1.00 0.09 C ATOM 0 H VAL A 57 5.481 -0.236 2.230 1.00 0.08 H new ATOM 0 HA VAL A 57 6.899 -2.801 2.840 1.00 0.08 H new ATOM 0 HB VAL A 57 6.376 -1.523 0.109 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.840 -3.314 -0.808 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.742 -2.250 0.298 1.00 0.10 H new ATOM 0 HG13 VAL A 57 8.207 -3.856 0.847 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.417 -3.747 -0.432 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.765 -4.298 1.224 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.576 -3.002 0.948 1.00 0.09 H new ATOM 899 N ASP A 58 9.109 -1.605 2.768 1.00 0.09 N ATOM 900 CA ASP A 58 10.382 -0.832 2.887 1.00 0.09 C ATOM 901 C ASP A 58 11.264 -1.183 1.683 1.00 0.10 C ATOM 902 O ASP A 58 11.921 -2.205 1.657 1.00 0.11 O ATOM 903 CB ASP A 58 11.098 -1.221 4.185 1.00 0.11 C ATOM 904 CG ASP A 58 12.183 -0.190 4.505 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.839 0.966 4.689 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.340 -0.575 4.561 1.00 1.08 O ATOM 0 H ASP A 58 9.169 -2.576 3.076 1.00 0.09 H new ATOM 0 HA ASP A 58 10.178 0.239 2.906 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.381 -1.275 5.005 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.542 -2.211 4.084 1.00 0.11 H new ATOM 911 N VAL A 59 11.258 -0.356 0.675 1.00 0.12 N ATOM 912 CA VAL A 59 12.066 -0.643 -0.548 1.00 0.15 C ATOM 913 C VAL A 59 13.536 -0.887 -0.194 1.00 0.18 C ATOM 914 O VAL A 59 14.340 -1.169 -1.059 1.00 0.27 O ATOM 915 CB VAL A 59 11.974 0.549 -1.502 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.556 0.644 -2.065 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.307 1.836 -0.743 1.00 0.22 C ATOM 0 H VAL A 59 10.725 0.513 0.644 1.00 0.12 H new ATOM 0 HA VAL A 59 11.669 -1.542 -1.020 1.00 0.15 H new ATOM 0 HB VAL A 59 12.682 0.414 -2.320 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.491 1.494 -2.745 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.317 -0.272 -2.605 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.848 0.778 -1.247 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.242 2.686 -1.422 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.599 1.970 0.075 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.318 1.770 -0.341 1.00 0.22 H new ATOM 927 N ASP A 60 13.904 -0.767 1.059 1.00 0.16 N ATOM 928 CA ASP A 60 15.340 -0.973 1.452 1.00 0.18 C ATOM 929 C ASP A 60 15.517 -2.272 2.243 1.00 0.17 C ATOM 930 O ASP A 60 16.436 -3.030 2.005 1.00 0.18 O ATOM 931 CB ASP A 60 15.786 0.192 2.329 1.00 0.21 C ATOM 932 CG ASP A 60 15.761 1.485 1.514 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.757 1.778 0.878 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.746 2.161 1.542 1.00 1.08 O ATOM 0 H ASP A 60 13.275 -0.536 1.828 1.00 0.16 H new ATOM 0 HA ASP A 60 15.939 -1.031 0.543 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.128 0.282 3.194 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.791 0.010 2.710 1.00 0.21 H new ATOM 939 N ASP A 61 14.666 -2.528 3.199 1.00 0.17 N ATOM 940 CA ASP A 61 14.813 -3.767 4.023 1.00 0.17 C ATOM 941 C ASP A 61 14.013 -4.911 3.388 1.00 0.16 C ATOM 942 O ASP A 61 14.177 -6.060 3.744 1.00 0.18 O ATOM 943 CB ASP A 61 14.309 -3.474 5.444 1.00 0.19 C ATOM 944 CG ASP A 61 14.050 -4.781 6.202 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.013 -5.471 6.499 1.00 1.12 O ATOM 946 OD2 ASP A 61 12.896 -5.069 6.472 1.00 1.07 O ATOM 0 H ASP A 61 13.875 -1.934 3.447 1.00 0.17 H new ATOM 0 HA ASP A 61 15.859 -4.069 4.067 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.045 -2.875 5.981 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.392 -2.886 5.397 1.00 0.19 H new ATOM 951 N ALA A 62 13.166 -4.605 2.437 1.00 0.16 N ATOM 952 CA ALA A 62 12.362 -5.667 1.750 1.00 0.16 C ATOM 953 C ALA A 62 12.676 -5.617 0.255 1.00 0.16 C ATOM 954 O ALA A 62 11.794 -5.595 -0.580 1.00 0.15 O ATOM 955 CB ALA A 62 10.870 -5.410 1.970 1.00 0.17 C ATOM 0 H ALA A 62 12.994 -3.657 2.103 1.00 0.16 H new ATOM 0 HA ALA A 62 12.614 -6.647 2.155 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.290 -6.185 1.469 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.651 -5.427 3.038 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.604 -4.435 1.560 1.00 0.17 H new ATOM 961 N GLN A 63 13.937 -5.583 -0.083 1.00 0.20 N ATOM 962 CA GLN A 63 14.334 -5.519 -1.518 1.00 0.22 C ATOM 963 C GLN A 63 13.692 -6.670 -2.294 1.00 0.20 C ATOM 964 O GLN A 63 13.593 -6.629 -3.502 1.00 0.20 O ATOM 965 CB GLN A 63 15.856 -5.625 -1.633 1.00 0.29 C ATOM 966 CG GLN A 63 16.517 -4.560 -0.756 1.00 0.90 C ATOM 967 CD GLN A 63 18.031 -4.778 -0.747 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.568 -5.434 -1.617 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.749 -4.252 0.209 1.00 2.22 N ATOM 0 H GLN A 63 14.714 -5.597 0.578 1.00 0.20 H new ATOM 0 HA GLN A 63 13.996 -4.571 -1.935 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.185 -6.618 -1.326 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.161 -5.495 -2.671 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.284 -3.565 -1.135 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.125 -4.614 0.259 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.299 -3.701 0.940 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.759 -4.392 0.224 1.00 2.22 H new ATOM 978 N ASP A 64 13.264 -7.700 -1.619 1.00 0.19 N ATOM 979 CA ASP A 64 12.642 -8.845 -2.338 1.00 0.20 C ATOM 980 C ASP A 64 11.275 -8.424 -2.881 1.00 0.17 C ATOM 981 O ASP A 64 10.904 -8.768 -3.986 1.00 0.19 O ATOM 982 CB ASP A 64 12.480 -10.024 -1.375 1.00 0.22 C ATOM 983 CG ASP A 64 11.984 -9.514 -0.021 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.771 -8.908 0.685 1.00 1.09 O ATOM 985 OD2 ASP A 64 10.826 -9.740 0.286 1.00 1.11 O ATOM 0 H ASP A 64 13.318 -7.798 -0.605 1.00 0.19 H new ATOM 0 HA ASP A 64 13.280 -9.146 -3.169 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.774 -10.747 -1.784 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.432 -10.542 -1.254 1.00 0.22 H new ATOM 990 N VAL A 65 10.524 -7.675 -2.122 1.00 0.15 N ATOM 991 CA VAL A 65 9.192 -7.230 -2.615 1.00 0.16 C ATOM 992 C VAL A 65 9.401 -6.166 -3.691 1.00 0.16 C ATOM 993 O VAL A 65 8.816 -6.217 -4.754 1.00 0.19 O ATOM 994 CB VAL A 65 8.383 -6.638 -1.459 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.942 -6.404 -1.915 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.389 -7.611 -0.277 1.00 0.18 C ATOM 0 H VAL A 65 10.774 -7.354 -1.187 1.00 0.15 H new ATOM 0 HA VAL A 65 8.648 -8.079 -3.029 1.00 0.16 H new ATOM 0 HB VAL A 65 8.829 -5.692 -1.153 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.364 -5.982 -1.093 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.935 -5.711 -2.756 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.499 -7.352 -2.221 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.812 -7.188 0.546 1.00 0.18 H new ATOM 0 HG22 VAL A 65 7.944 -8.558 -0.583 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.415 -7.781 0.049 1.00 0.18 H new ATOM 1006 N ALA A 66 10.242 -5.206 -3.422 1.00 0.16 N ATOM 1007 CA ALA A 66 10.506 -4.139 -4.425 1.00 0.18 C ATOM 1008 C ALA A 66 11.168 -4.756 -5.661 1.00 0.19 C ATOM 1009 O ALA A 66 10.887 -4.380 -6.781 1.00 0.20 O ATOM 1010 CB ALA A 66 11.437 -3.088 -3.818 1.00 0.22 C ATOM 0 H ALA A 66 10.759 -5.115 -2.547 1.00 0.16 H new ATOM 0 HA ALA A 66 9.566 -3.668 -4.712 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.631 -2.306 -4.552 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.967 -2.650 -2.937 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.378 -3.558 -3.531 1.00 0.22 H new ATOM 1016 N SER A 67 12.050 -5.699 -5.463 1.00 0.21 N ATOM 1017 CA SER A 67 12.732 -6.337 -6.624 1.00 0.26 C ATOM 1018 C SER A 67 11.703 -7.080 -7.477 1.00 0.26 C ATOM 1019 O SER A 67 11.689 -6.972 -8.687 1.00 0.29 O ATOM 1020 CB SER A 67 13.786 -7.326 -6.125 1.00 0.31 C ATOM 1021 OG SER A 67 14.851 -6.611 -5.511 1.00 1.29 O ATOM 0 H SER A 67 12.327 -6.054 -4.548 1.00 0.21 H new ATOM 0 HA SER A 67 13.215 -5.566 -7.224 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.341 -8.020 -5.412 1.00 0.31 H new ATOM 0 HB3 SER A 67 14.164 -7.921 -6.956 1.00 0.31 H new ATOM 0 HG SER A 67 14.515 -6.137 -4.722 1.00 1.29 H new ATOM 1027 N GLU A 68 10.841 -7.836 -6.854 1.00 0.26 N ATOM 1028 CA GLU A 68 9.814 -8.588 -7.626 1.00 0.30 C ATOM 1029 C GLU A 68 8.895 -7.601 -8.350 1.00 0.31 C ATOM 1030 O GLU A 68 8.511 -7.813 -9.483 1.00 0.36 O ATOM 1031 CB GLU A 68 8.993 -9.455 -6.663 1.00 0.31 C ATOM 1032 CG GLU A 68 7.873 -10.181 -7.426 1.00 0.39 C ATOM 1033 CD GLU A 68 6.665 -9.253 -7.593 1.00 1.43 C ATOM 1034 OE1 GLU A 68 6.286 -8.625 -6.618 1.00 2.19 O ATOM 1035 OE2 GLU A 68 6.141 -9.188 -8.693 1.00 2.20 O ATOM 0 H GLU A 68 10.804 -7.965 -5.843 1.00 0.26 H new ATOM 0 HA GLU A 68 10.301 -9.227 -8.362 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.641 -10.183 -6.175 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.564 -8.833 -5.878 1.00 0.31 H new ATOM 0 HG2 GLU A 68 8.235 -10.499 -8.404 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.579 -11.081 -6.886 1.00 0.39 H new ATOM 1042 N ALA A 69 8.540 -6.519 -7.706 1.00 0.29 N ATOM 1043 CA ALA A 69 7.647 -5.515 -8.358 1.00 0.31 C ATOM 1044 C ALA A 69 8.496 -4.511 -9.144 1.00 0.29 C ATOM 1045 O ALA A 69 7.987 -3.593 -9.756 1.00 0.33 O ATOM 1046 CB ALA A 69 6.841 -4.781 -7.282 1.00 0.31 C ATOM 0 H ALA A 69 8.830 -6.287 -6.756 1.00 0.29 H new ATOM 0 HA ALA A 69 6.964 -6.020 -9.041 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.188 -4.047 -7.754 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.238 -5.499 -6.726 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.523 -4.274 -6.599 1.00 0.31 H new ATOM 1052 N GLU A 70 9.790 -4.685 -9.136 1.00 0.27 N ATOM 1053 CA GLU A 70 10.683 -3.755 -9.886 1.00 0.29 C ATOM 1054 C GLU A 70 10.330 -2.297 -9.560 1.00 0.25 C ATOM 1055 O GLU A 70 10.137 -1.485 -10.442 1.00 0.26 O ATOM 1056 CB GLU A 70 10.516 -3.994 -11.388 1.00 0.38 C ATOM 1057 CG GLU A 70 11.113 -5.354 -11.759 1.00 1.18 C ATOM 1058 CD GLU A 70 12.640 -5.276 -11.699 1.00 1.61 C ATOM 1059 OE1 GLU A 70 13.200 -4.444 -12.392 1.00 2.34 O ATOM 1060 OE2 GLU A 70 13.223 -6.054 -10.960 1.00 2.06 O ATOM 0 H GLU A 70 10.270 -5.436 -8.639 1.00 0.27 H new ATOM 0 HA GLU A 70 11.716 -3.942 -9.592 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.460 -3.963 -11.657 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.011 -3.202 -11.950 1.00 0.38 H new ATOM 0 HG2 GLU A 70 10.750 -6.121 -11.074 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.792 -5.643 -12.760 1.00 1.18 H new ATOM 1067 N VAL A 71 10.267 -1.957 -8.300 1.00 0.22 N ATOM 1068 CA VAL A 71 9.952 -0.548 -7.918 1.00 0.19 C ATOM 1069 C VAL A 71 11.226 0.293 -8.048 1.00 0.23 C ATOM 1070 O VAL A 71 12.272 -0.079 -7.555 1.00 0.28 O ATOM 1071 CB VAL A 71 9.457 -0.515 -6.472 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.964 0.893 -6.132 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.302 -1.505 -6.308 1.00 0.19 C ATOM 0 H VAL A 71 10.420 -2.594 -7.518 1.00 0.22 H new ATOM 0 HA VAL A 71 9.177 -0.146 -8.571 1.00 0.19 H new ATOM 0 HB VAL A 71 10.274 -0.788 -5.804 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.611 0.916 -5.101 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.782 1.604 -6.252 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.147 1.164 -6.801 1.00 0.19 H new ATOM 0 HG21 VAL A 71 7.948 -1.483 -5.277 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.488 -1.228 -6.978 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.647 -2.510 -6.552 1.00 0.19 H new ATOM 1083 N LYS A 72 11.150 1.420 -8.718 1.00 0.24 N ATOM 1084 CA LYS A 72 12.359 2.291 -8.897 1.00 0.29 C ATOM 1085 C LYS A 72 12.025 3.724 -8.469 1.00 0.26 C ATOM 1086 O LYS A 72 12.792 4.641 -8.686 1.00 0.27 O ATOM 1087 CB LYS A 72 12.775 2.293 -10.374 1.00 0.35 C ATOM 1088 CG LYS A 72 12.930 0.853 -10.883 1.00 0.43 C ATOM 1089 CD LYS A 72 14.163 0.194 -10.246 1.00 1.16 C ATOM 1090 CE LYS A 72 14.534 -1.074 -11.023 1.00 1.66 C ATOM 1091 NZ LYS A 72 15.387 -1.948 -10.168 1.00 2.40 N ATOM 0 H LYS A 72 10.298 1.776 -9.151 1.00 0.24 H new ATOM 0 HA LYS A 72 13.175 1.905 -8.286 1.00 0.29 H new ATOM 0 HB2 LYS A 72 12.028 2.818 -10.969 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.715 2.832 -10.494 1.00 0.35 H new ATOM 0 HG2 LYS A 72 12.036 0.277 -10.643 1.00 0.43 H new ATOM 0 HG3 LYS A 72 13.028 0.852 -11.969 1.00 0.43 H new ATOM 0 HD2 LYS A 72 15.001 0.891 -10.248 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.957 -0.054 -9.205 1.00 1.16 H new ATOM 0 HE2 LYS A 72 13.632 -1.608 -11.321 1.00 1.66 H new ATOM 0 HE3 LYS A 72 15.066 -0.811 -11.937 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 15.639 -2.809 -10.694 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 16.253 -1.437 -9.905 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 14.864 -2.209 -9.308 1.00 2.40 H new ATOM 1105 N ALA A 73 10.884 3.923 -7.865 1.00 0.22 N ATOM 1106 CA ALA A 73 10.496 5.298 -7.421 1.00 0.20 C ATOM 1107 C ALA A 73 9.554 5.181 -6.222 1.00 0.18 C ATOM 1108 O ALA A 73 8.782 4.257 -6.137 1.00 0.16 O ATOM 1109 CB ALA A 73 9.772 6.018 -8.572 1.00 0.21 C ATOM 0 H ALA A 73 10.202 3.193 -7.659 1.00 0.22 H new ATOM 0 HA ALA A 73 11.384 5.864 -7.141 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.488 7.021 -8.252 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.436 6.087 -9.433 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.878 5.458 -8.847 1.00 0.21 H new ATOM 1115 N THR A 74 9.601 6.119 -5.303 1.00 0.18 N ATOM 1116 CA THR A 74 8.680 6.067 -4.118 1.00 0.17 C ATOM 1117 C THR A 74 8.004 7.442 -3.971 1.00 0.17 C ATOM 1118 O THR A 74 8.616 8.443 -4.291 1.00 0.19 O ATOM 1119 CB THR A 74 9.477 5.778 -2.828 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.589 6.653 -2.760 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.989 4.325 -2.791 1.00 0.19 C ATOM 0 H THR A 74 10.236 6.917 -5.322 1.00 0.18 H new ATOM 0 HA THR A 74 7.944 5.277 -4.269 1.00 0.17 H new ATOM 0 HB THR A 74 8.810 5.931 -1.980 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.097 6.474 -1.941 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.545 4.159 -1.869 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.142 3.640 -2.833 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.642 4.147 -3.646 1.00 0.19 H new ATOM 1129 N PRO A 75 6.785 7.484 -3.466 1.00 0.17 N ATOM 1130 CA PRO A 75 5.993 6.298 -3.059 1.00 0.16 C ATOM 1131 C PRO A 75 5.350 5.645 -4.293 1.00 0.14 C ATOM 1132 O PRO A 75 4.891 6.326 -5.187 1.00 0.14 O ATOM 1133 CB PRO A 75 4.899 6.879 -2.133 1.00 0.17 C ATOM 1134 CG PRO A 75 4.890 8.421 -2.347 1.00 0.20 C ATOM 1135 CD PRO A 75 6.110 8.771 -3.228 1.00 0.19 C ATOM 0 HA PRO A 75 6.596 5.533 -2.571 1.00 0.16 H new ATOM 0 HB2 PRO A 75 3.925 6.451 -2.372 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.107 6.636 -1.091 1.00 0.17 H new ATOM 0 HG2 PRO A 75 3.965 8.736 -2.829 1.00 0.20 H new ATOM 0 HG3 PRO A 75 4.945 8.942 -1.391 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.801 9.235 -4.165 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.771 9.477 -2.726 1.00 0.19 H new ATOM 1143 N THR A 76 5.285 4.331 -4.332 1.00 0.13 N ATOM 1144 CA THR A 76 4.635 3.636 -5.498 1.00 0.12 C ATOM 1145 C THR A 76 3.353 2.980 -4.997 1.00 0.12 C ATOM 1146 O THR A 76 3.393 2.061 -4.205 1.00 0.18 O ATOM 1147 CB THR A 76 5.566 2.549 -6.070 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.897 3.018 -6.042 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.177 2.234 -7.519 1.00 0.13 C ATOM 0 H THR A 76 5.652 3.711 -3.610 1.00 0.13 H new ATOM 0 HA THR A 76 4.425 4.360 -6.285 1.00 0.12 H new ATOM 0 HB THR A 76 5.473 1.645 -5.468 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.909 3.979 -6.234 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.840 1.465 -7.915 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.148 1.877 -7.550 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.266 3.136 -8.124 1.00 0.13 H new ATOM 1157 N PHE A 77 2.213 3.432 -5.444 1.00 0.09 N ATOM 1158 CA PHE A 77 0.946 2.807 -4.969 1.00 0.09 C ATOM 1159 C PHE A 77 0.588 1.645 -5.877 1.00 0.09 C ATOM 1160 O PHE A 77 0.439 1.793 -7.073 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.190 3.828 -4.968 1.00 0.10 C ATOM 1162 CG PHE A 77 0.080 4.841 -3.891 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.191 4.514 -2.551 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.611 6.102 -4.220 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.068 5.452 -1.535 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.870 7.042 -3.205 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.598 6.718 -1.862 1.00 0.12 C ATOM 0 H PHE A 77 2.104 4.197 -6.109 1.00 0.09 H new ATOM 0 HA PHE A 77 1.090 2.449 -3.950 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.260 4.317 -5.939 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.145 3.332 -4.791 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.597 3.545 -2.302 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.820 6.348 -5.251 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.139 5.203 -0.505 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.277 8.010 -3.456 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.795 7.439 -1.082 1.00 0.12 H new ATOM 1177 N GLN A 78 0.451 0.485 -5.302 1.00 0.07 N ATOM 1178 CA GLN A 78 0.102 -0.728 -6.087 1.00 0.07 C ATOM 1179 C GLN A 78 -1.192 -1.293 -5.519 1.00 0.06 C ATOM 1180 O GLN A 78 -1.381 -1.349 -4.319 1.00 0.07 O ATOM 1181 CB GLN A 78 1.235 -1.747 -5.948 1.00 0.08 C ATOM 1182 CG GLN A 78 2.573 -1.072 -6.274 1.00 0.12 C ATOM 1183 CD GLN A 78 3.617 -2.132 -6.639 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.889 -3.026 -5.863 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.212 -2.071 -7.799 1.00 1.03 N ATOM 0 H GLN A 78 0.569 0.324 -4.302 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.031 -0.493 -7.143 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.255 -2.148 -4.935 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.066 -2.588 -6.620 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.446 -0.374 -7.102 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.916 -0.492 -5.417 1.00 0.12 H new ATOM 0 HE21 GLN A 78 3.983 -1.320 -8.451 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.906 -2.774 -8.054 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.100 -1.675 -6.373 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.418 -2.200 -5.905 1.00 0.07 C ATOM 1196 C PHE A 79 -3.525 -3.691 -6.214 1.00 0.07 C ATOM 1197 O PHE A 79 -3.286 -4.128 -7.323 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.525 -1.438 -6.635 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.479 0.016 -6.223 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.423 0.829 -6.661 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.477 0.552 -5.394 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.359 2.180 -6.276 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.418 1.901 -5.000 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.358 2.717 -5.441 1.00 0.11 C ATOM 0 H PHE A 79 -1.986 -1.646 -7.386 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.514 -2.062 -4.828 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.395 -1.528 -7.714 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.498 -1.866 -6.395 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.655 0.415 -7.297 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.292 -0.073 -5.058 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.547 2.804 -6.619 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.185 2.311 -4.360 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.311 3.753 -5.139 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.889 -4.470 -5.229 1.00 0.07 N ATOM 1215 CA PHE A 80 -4.030 -5.944 -5.423 1.00 0.08 C ATOM 1216 C PHE A 80 -5.400 -6.376 -4.902 1.00 0.11 C ATOM 1217 O PHE A 80 -6.012 -5.700 -4.099 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.942 -6.675 -4.633 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.592 -6.458 -5.280 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.154 -7.317 -6.307 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.765 -5.404 -4.847 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.111 -7.121 -6.898 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.495 -5.209 -5.439 1.00 0.11 C ATOM 1224 CZ PHE A 80 0.935 -6.065 -6.461 1.00 0.14 C ATOM 0 H PHE A 80 -4.097 -4.143 -4.286 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.932 -6.187 -6.481 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.923 -6.313 -3.605 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.166 -7.741 -4.591 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.787 -8.126 -6.642 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -1.099 -4.745 -4.059 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.448 -7.780 -7.685 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.126 -4.398 -5.107 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.905 -5.914 -6.912 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.883 -7.497 -5.353 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.213 -7.982 -4.889 1.00 0.14 C ATOM 1236 C LYS A 81 -7.248 -9.502 -5.045 1.00 0.14 C ATOM 1237 O LYS A 81 -7.013 -10.026 -6.115 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.314 -7.329 -5.741 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.657 -7.380 -5.002 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.695 -6.562 -5.778 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.984 -6.459 -4.960 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.652 -7.790 -4.915 1.00 1.48 N ATOM 0 H LYS A 81 -5.413 -8.102 -6.026 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.379 -7.718 -3.845 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -8.050 -6.294 -5.959 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.397 -7.845 -6.698 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.991 -8.413 -4.903 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.545 -6.983 -3.993 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.305 -5.566 -5.988 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.899 -7.033 -6.739 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.759 -6.119 -3.949 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.651 -5.720 -5.404 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.591 -7.693 -4.478 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.757 -8.159 -5.882 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.075 -8.449 -4.354 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.521 -10.214 -3.986 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.553 -11.701 -4.075 1.00 0.20 C ATOM 1258 C LYS A 82 -6.224 -12.224 -4.640 1.00 0.20 C ATOM 1259 O LYS A 82 -6.169 -13.284 -5.233 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.718 -12.144 -4.975 1.00 0.21 C ATOM 1261 CG LYS A 82 -10.025 -12.136 -4.172 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.194 -12.568 -5.068 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.450 -11.523 -6.168 1.00 1.19 C ATOM 1264 NZ LYS A 82 -10.615 -11.844 -7.360 1.00 1.67 N ATOM 0 H LYS A 82 -7.723 -9.830 -3.063 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.697 -12.114 -3.076 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.803 -11.476 -5.832 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.527 -13.143 -5.367 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.942 -12.810 -3.319 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.211 -11.139 -3.774 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.973 -13.534 -5.522 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -12.093 -12.697 -4.465 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.505 -11.517 -6.441 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -11.210 -10.525 -5.800 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -9.953 -11.063 -7.540 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -10.080 -12.718 -7.184 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -11.229 -11.976 -8.189 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.152 -11.505 -4.441 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.826 -11.979 -4.945 1.00 0.21 C ATOM 1280 C GLY A 83 -3.612 -11.556 -6.401 1.00 0.19 C ATOM 1281 O GLY A 83 -2.605 -11.883 -6.998 1.00 0.22 O ATOM 0 H GLY A 83 -5.135 -10.610 -3.952 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -3.029 -11.571 -4.323 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.769 -13.065 -4.865 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.543 -10.839 -6.981 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.383 -10.402 -8.411 1.00 0.17 C ATOM 1287 C GLN A 84 -4.134 -8.891 -8.476 1.00 0.16 C ATOM 1288 O GLN A 84 -4.669 -8.129 -7.697 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.663 -10.720 -9.184 1.00 0.19 C ATOM 1290 CG GLN A 84 -6.013 -12.200 -9.015 1.00 0.23 C ATOM 1291 CD GLN A 84 -7.359 -12.485 -9.683 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -7.532 -13.508 -10.316 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -8.328 -11.617 -9.570 1.00 2.08 N ATOM 0 H GLN A 84 -5.407 -10.536 -6.531 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.536 -10.930 -8.848 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.482 -10.099 -8.821 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.529 -10.486 -10.240 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.236 -12.822 -9.459 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.059 -12.455 -7.956 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -8.184 -10.758 -9.039 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -9.229 -11.798 -10.013 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.333 -8.455 -9.417 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.056 -6.992 -9.554 1.00 0.17 C ATOM 1304 C LYS A 85 -4.157 -6.363 -10.406 1.00 0.16 C ATOM 1305 O LYS A 85 -4.648 -6.971 -11.338 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.698 -6.779 -10.230 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.487 -5.280 -10.502 1.00 0.25 C ATOM 1308 CD LYS A 85 0.003 -4.986 -10.699 1.00 0.30 C ATOM 1309 CE LYS A 85 0.520 -5.748 -11.922 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.878 -5.250 -12.282 1.00 1.70 N ATOM 0 H LYS A 85 -2.859 -9.050 -10.096 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.035 -6.527 -8.568 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.900 -7.159 -9.593 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.654 -7.338 -11.165 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.045 -4.981 -11.389 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.875 -4.693 -9.669 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.158 -3.915 -10.833 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.563 -5.281 -9.811 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.558 -6.816 -11.709 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.162 -5.615 -12.762 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 2.004 -5.299 -13.313 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.981 -4.264 -11.968 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.598 -5.839 -11.817 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.564 -5.159 -10.085 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.656 -4.488 -10.862 1.00 0.16 C ATOM 1326 C VAL A 86 -5.192 -3.111 -11.359 1.00 0.18 C ATOM 1327 O VAL A 86 -5.713 -2.592 -12.326 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.873 -4.323 -9.951 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.469 -5.697 -9.640 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.440 -3.655 -8.647 1.00 0.17 C ATOM 0 H VAL A 86 -4.185 -4.608 -9.314 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.913 -5.098 -11.728 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.620 -3.707 -10.451 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.336 -5.579 -8.991 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.774 -6.180 -10.568 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.722 -6.313 -9.139 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.305 -3.536 -7.995 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.694 -4.276 -8.151 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.012 -2.677 -8.864 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.225 -2.509 -10.715 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.757 -1.167 -11.180 1.00 0.18 C ATOM 1342 C GLY A 87 -2.598 -0.674 -10.306 1.00 0.10 C ATOM 1343 O GLY A 87 -2.197 -1.328 -9.363 1.00 0.08 O ATOM 0 H GLY A 87 -3.744 -2.882 -9.897 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.437 -1.227 -12.220 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.580 -0.454 -11.140 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.056 0.478 -10.616 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.924 1.017 -9.806 1.00 0.10 C ATOM 1349 C GLU A 88 -0.571 2.432 -10.266 1.00 0.10 C ATOM 1350 O GLU A 88 -0.829 2.813 -11.391 1.00 0.11 O ATOM 1351 CB GLU A 88 0.299 0.115 -9.976 1.00 0.17 C ATOM 1352 CG GLU A 88 0.558 -0.123 -11.465 1.00 0.25 C ATOM 1353 CD GLU A 88 1.771 -1.040 -11.631 1.00 1.25 C ATOM 1354 OE1 GLU A 88 1.757 -2.116 -11.057 1.00 1.94 O ATOM 1355 OE2 GLU A 88 2.693 -0.649 -12.326 1.00 2.04 O ATOM 0 H GLU A 88 -2.350 1.067 -11.395 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.223 1.045 -8.758 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.171 0.577 -9.514 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.136 -0.836 -9.468 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.319 -0.574 -11.930 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.734 0.826 -11.971 1.00 0.25 H new ATOM 1362 N PHE A 89 0.039 3.209 -9.408 1.00 0.09 N ATOM 1363 CA PHE A 89 0.432 4.591 -9.806 1.00 0.09 C ATOM 1364 C PHE A 89 1.365 5.203 -8.754 1.00 0.09 C ATOM 1365 O PHE A 89 1.097 5.168 -7.574 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.817 5.475 -10.014 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.403 5.956 -8.696 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.755 6.964 -7.951 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.617 5.410 -8.224 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.314 7.417 -6.743 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.174 5.867 -7.015 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.523 6.870 -6.275 1.00 0.11 C ATOM 0 H PHE A 89 0.281 2.946 -8.453 1.00 0.09 H new ATOM 0 HA PHE A 89 0.969 4.539 -10.753 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.553 6.336 -10.629 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.572 4.912 -10.562 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.171 7.388 -8.309 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.119 4.640 -8.792 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.814 8.186 -6.173 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.102 5.447 -6.655 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.951 7.220 -5.347 1.00 0.11 H new ATOM 1382 N SER A 90 2.465 5.772 -9.183 1.00 0.13 N ATOM 1383 CA SER A 90 3.428 6.402 -8.223 1.00 0.14 C ATOM 1384 C SER A 90 3.249 7.920 -8.263 1.00 0.14 C ATOM 1385 O SER A 90 2.253 8.426 -8.739 1.00 0.17 O ATOM 1386 CB SER A 90 4.858 6.058 -8.639 1.00 0.15 C ATOM 1387 OG SER A 90 5.266 6.931 -9.684 1.00 0.16 O ATOM 0 H SER A 90 2.740 5.828 -10.164 1.00 0.13 H new ATOM 0 HA SER A 90 3.239 6.030 -7.216 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.530 6.154 -7.786 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.913 5.022 -8.973 1.00 0.15 H new ATOM 0 HG SER A 90 5.932 7.563 -9.341 1.00 0.16 H new ATOM 1393 N GLY A 91 4.207 8.649 -7.764 1.00 0.12 N ATOM 1394 CA GLY A 91 4.096 10.137 -7.770 1.00 0.13 C ATOM 1395 C GLY A 91 3.255 10.583 -6.575 1.00 0.13 C ATOM 1396 O GLY A 91 2.147 10.126 -6.378 1.00 0.13 O ATOM 0 H GLY A 91 5.064 8.280 -7.351 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.087 10.588 -7.721 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.638 10.476 -8.699 1.00 0.13 H new ATOM 1400 N ALA A 92 3.776 11.464 -5.767 1.00 0.15 N ATOM 1401 CA ALA A 92 3.006 11.926 -4.578 1.00 0.17 C ATOM 1402 C ALA A 92 1.615 12.406 -5.003 1.00 0.15 C ATOM 1403 O ALA A 92 1.436 13.540 -5.399 1.00 0.16 O ATOM 1404 CB ALA A 92 3.757 13.078 -3.892 1.00 0.20 C ATOM 0 H ALA A 92 4.699 11.883 -5.878 1.00 0.15 H new ATOM 0 HA ALA A 92 2.898 11.094 -3.883 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.192 13.414 -3.023 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.741 12.733 -3.574 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.872 13.905 -4.592 1.00 0.20 H new ATOM 1410 N ASN A 93 0.625 11.559 -4.893 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.766 11.968 -5.253 1.00 0.13 C ATOM 1412 C ASN A 93 -1.721 11.372 -4.215 1.00 0.12 C ATOM 1413 O ASN A 93 -2.411 10.402 -4.460 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.118 11.462 -6.656 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.273 12.293 -7.215 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.221 12.586 -6.513 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.232 12.693 -8.453 1.00 1.15 N ATOM 0 H ASN A 93 0.720 10.597 -4.568 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.851 13.055 -5.257 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.250 11.537 -7.311 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.398 10.409 -6.616 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -2.995 13.252 -8.834 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.437 12.447 -9.042 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.737 11.950 -3.050 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.609 11.446 -1.948 1.00 0.20 C ATOM 1426 C LYS A 94 -4.090 11.557 -2.326 1.00 0.18 C ATOM 1427 O LYS A 94 -4.887 10.702 -1.993 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.333 12.279 -0.686 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.115 13.746 -1.096 1.00 0.38 C ATOM 1430 CD LYS A 94 -2.220 14.668 0.125 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.976 14.518 1.007 1.00 0.78 C ATOM 1432 NZ LYS A 94 0.251 14.751 0.194 1.00 1.19 N ATOM 0 H LYS A 94 -1.174 12.765 -2.807 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.385 10.395 -1.767 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.170 12.202 0.007 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.453 11.898 -0.167 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -1.135 13.858 -1.560 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.856 14.035 -1.842 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -2.323 15.704 -0.199 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -3.114 14.424 0.699 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -1.017 15.229 1.833 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.948 13.521 1.446 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.037 15.017 0.821 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 0.497 13.881 -0.320 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 0.076 15.517 -0.487 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.473 12.604 -2.996 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.905 12.761 -3.365 1.00 0.20 C ATOM 1448 C GLU A 95 -6.313 11.650 -4.337 1.00 0.17 C ATOM 1449 O GLU A 95 -7.462 11.259 -4.402 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.098 14.121 -4.038 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.830 15.239 -3.025 1.00 0.33 C ATOM 1452 CD GLU A 95 -5.655 16.568 -3.761 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -6.411 16.813 -4.688 1.00 1.86 O ATOM 1454 OE2 GLU A 95 -4.768 17.317 -3.388 1.00 1.95 O ATOM 0 H GLU A 95 -3.858 13.357 -3.304 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.523 12.698 -2.469 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.422 14.217 -4.888 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.113 14.205 -4.427 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.657 15.309 -2.319 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -4.935 15.012 -2.446 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.381 11.142 -5.093 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.706 10.061 -6.066 1.00 0.14 C ATOM 1463 C LYS A 96 -6.043 8.771 -5.318 1.00 0.12 C ATOM 1464 O LYS A 96 -6.878 8.002 -5.749 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.509 9.833 -6.994 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.834 8.731 -8.011 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.665 8.563 -9.004 1.00 0.24 C ATOM 1468 CE LYS A 96 -3.810 9.546 -10.173 1.00 1.18 C ATOM 1469 NZ LYS A 96 -2.583 9.489 -11.018 1.00 2.05 N ATOM 0 H LYS A 96 -4.403 11.430 -5.079 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.570 10.357 -6.661 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.261 10.758 -7.515 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.633 9.552 -6.409 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.019 7.790 -7.493 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.747 8.982 -8.551 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.718 8.734 -8.492 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.644 7.540 -9.381 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.688 9.294 -10.768 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -3.960 10.558 -9.796 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -2.677 10.154 -11.812 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -1.755 9.749 -10.445 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -2.460 8.524 -11.387 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.412 8.514 -4.201 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.729 7.260 -3.456 1.00 0.11 C ATOM 1485 C LEU A 97 -7.242 7.177 -3.259 1.00 0.11 C ATOM 1486 O LEU A 97 -7.828 6.113 -3.277 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.053 7.275 -2.079 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.537 7.062 -2.224 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.855 7.461 -0.907 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.218 5.576 -2.562 1.00 0.13 C ATOM 0 H LEU A 97 -4.700 9.110 -3.777 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.366 6.403 -4.024 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.247 8.225 -1.582 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.478 6.493 -1.450 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.163 7.680 -3.040 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.779 7.315 -0.996 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.062 8.509 -0.693 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.239 6.842 -0.096 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.140 5.449 -2.660 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.588 4.934 -1.763 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.702 5.304 -3.500 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.875 8.300 -3.066 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.351 8.298 -2.862 1.00 0.14 C ATOM 1504 C GLU A 98 -10.046 7.868 -4.156 1.00 0.13 C ATOM 1505 O GLU A 98 -10.816 6.928 -4.179 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.813 9.709 -2.477 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.329 9.717 -2.221 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.085 9.801 -3.550 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.910 10.788 -4.247 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.825 8.879 -3.849 1.00 2.15 O ATOM 0 H GLU A 98 -7.434 9.220 -3.041 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.607 7.600 -2.065 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.284 10.042 -1.584 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.567 10.411 -3.274 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.620 8.814 -1.684 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.595 10.564 -1.588 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.792 8.564 -5.228 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.443 8.218 -6.522 1.00 0.14 C ATOM 1519 C ALA A 99 -10.099 6.784 -6.934 1.00 0.12 C ATOM 1520 O ALA A 99 -10.944 6.053 -7.401 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.961 9.183 -7.606 1.00 0.15 C ATOM 0 H ALA A 99 -9.158 9.362 -5.264 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.523 8.299 -6.401 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.436 8.932 -8.554 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.224 10.204 -7.328 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.879 9.102 -7.710 1.00 0.15 H new ATOM 1527 N THR A 100 -8.865 6.380 -6.788 1.00 0.11 N ATOM 1528 CA THR A 100 -8.477 4.998 -7.202 1.00 0.11 C ATOM 1529 C THR A 100 -9.188 3.961 -6.331 1.00 0.10 C ATOM 1530 O THR A 100 -9.725 2.989 -6.825 1.00 0.11 O ATOM 1531 CB THR A 100 -6.963 4.826 -7.066 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.308 5.871 -7.769 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.549 3.476 -7.653 1.00 0.12 C ATOM 0 H THR A 100 -8.109 6.945 -6.401 1.00 0.11 H new ATOM 0 HA THR A 100 -8.771 4.848 -8.241 1.00 0.11 H new ATOM 0 HB THR A 100 -6.683 4.863 -6.013 1.00 0.11 H new ATOM 0 HG1 THR A 100 -5.349 5.676 -7.825 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.470 3.353 -7.556 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.055 2.675 -7.115 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.826 3.437 -8.707 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.198 4.152 -5.043 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.880 3.165 -4.156 1.00 0.11 C ATOM 1543 C ILE A 101 -11.365 3.104 -4.528 1.00 0.13 C ATOM 1544 O ILE A 101 -11.906 2.046 -4.772 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.718 3.600 -2.689 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.255 3.379 -2.248 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.657 2.774 -1.796 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.933 4.207 -0.994 1.00 0.18 C ATOM 0 H ILE A 101 -8.767 4.944 -4.566 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.436 2.178 -4.283 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.971 4.656 -2.594 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.088 2.321 -2.044 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.580 3.658 -3.057 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.539 3.085 -0.758 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.689 2.934 -2.108 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.410 1.716 -1.888 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.897 4.036 -0.701 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.079 5.265 -1.209 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.594 3.908 -0.181 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.024 4.228 -4.576 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.471 4.227 -4.933 1.00 0.17 C ATOM 1562 C ASN A 102 -13.653 3.645 -6.337 1.00 0.18 C ATOM 1563 O ASN A 102 -14.734 3.246 -6.720 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.001 5.662 -4.907 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.526 5.645 -5.032 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.060 5.198 -6.028 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.254 6.117 -4.058 1.00 1.03 N ATOM 0 H ASN A 102 -11.624 5.146 -4.384 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.021 3.620 -4.214 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.707 6.153 -3.979 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.565 6.237 -5.724 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.271 6.111 -4.132 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.806 6.492 -3.222 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.603 3.603 -7.109 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.711 3.057 -8.492 1.00 0.18 C ATOM 1576 C GLU A 103 -12.786 1.529 -8.449 1.00 0.19 C ATOM 1577 O GLU A 103 -13.750 0.928 -8.877 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.474 3.477 -9.298 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.760 3.343 -10.796 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.463 3.531 -11.583 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -9.540 4.116 -11.038 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -10.411 3.087 -12.719 1.00 2.02 O ATOM 0 H GLU A 103 -11.672 3.924 -6.842 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.614 3.447 -8.961 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.206 4.507 -9.060 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.622 2.855 -9.024 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -12.188 2.363 -11.009 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.496 4.086 -11.104 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.749 0.903 -7.964 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.710 -0.589 -7.915 1.00 0.19 C ATOM 1591 C LEU A 104 -12.228 -1.096 -6.565 1.00 0.19 C ATOM 1592 O LEU A 104 -11.893 -2.183 -6.136 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.261 -1.041 -8.120 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.731 -0.498 -9.459 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.205 -0.594 -9.482 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.308 -1.307 -10.632 1.00 0.35 C ATOM 0 H LEU A 104 -10.918 1.365 -7.595 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.348 -0.998 -8.698 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.639 -0.683 -7.300 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.205 -2.130 -8.111 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.038 0.543 -9.561 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.830 -0.209 -10.431 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.791 -0.006 -8.663 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.904 -1.636 -9.369 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.923 -0.910 -11.572 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.015 -2.352 -10.532 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.395 -1.233 -10.625 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.046 -0.331 -5.895 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.581 -0.793 -4.582 1.00 0.22 C ATOM 1610 C VAL A 105 -14.443 -2.039 -4.798 1.00 0.26 C ATOM 1611 O VAL A 105 -14.941 -2.206 -5.899 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.430 0.313 -3.948 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.530 0.736 -4.922 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.067 -0.208 -2.657 1.00 0.27 C ATOM 1615 OXT VAL A 105 -14.591 -2.803 -3.858 1.00 1.18 O ATOM 0 H VAL A 105 -13.366 0.589 -6.198 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.751 -1.031 -3.917 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.796 1.170 -3.721 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.133 1.523 -4.470 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.078 1.108 -5.842 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.163 -0.121 -5.150 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.671 0.579 -2.206 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.700 -1.066 -2.884 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.284 -0.509 -1.961 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 22.561 2.815 5.304 1.00 0.00 N ATOM 1627 CA PHE B 1 21.881 1.839 6.204 1.00 0.00 C ATOM 1628 C PHE B 1 20.669 1.236 5.474 1.00 0.00 C ATOM 1629 O PHE B 1 20.376 0.066 5.606 1.00 0.00 O ATOM 1630 CB PHE B 1 21.433 2.552 7.504 1.00 0.00 C ATOM 1631 CG PHE B 1 21.227 4.032 7.247 1.00 0.00 C ATOM 1632 CD1 PHE B 1 20.110 4.475 6.513 1.00 0.00 C ATOM 1633 CD2 PHE B 1 22.159 4.971 7.737 1.00 0.00 C ATOM 1634 CE1 PHE B 1 19.921 5.846 6.270 1.00 0.00 C ATOM 1635 CE2 PHE B 1 21.969 6.346 7.495 1.00 0.00 C ATOM 1636 CZ PHE B 1 20.849 6.783 6.762 1.00 0.00 C ATOM 0 H1 PHE B 1 23.567 2.879 5.559 1.00 0.00 H new ATOM 0 H2 PHE B 1 22.473 2.497 4.318 1.00 0.00 H new ATOM 0 H3 PHE B 1 22.117 3.750 5.407 1.00 0.00 H new ATOM 0 HA PHE B 1 22.570 1.037 6.469 1.00 0.00 H new ATOM 0 HB2 PHE B 1 20.508 2.107 7.871 1.00 0.00 H new ATOM 0 HB3 PHE B 1 22.184 2.412 8.281 1.00 0.00 H new ATOM 0 HD1 PHE B 1 19.396 3.758 6.135 1.00 0.00 H new ATOM 0 HD2 PHE B 1 23.019 4.636 8.298 1.00 0.00 H new ATOM 0 HE1 PHE B 1 19.063 6.181 5.706 1.00 0.00 H new ATOM 0 HE2 PHE B 1 22.682 7.064 7.872 1.00 0.00 H new ATOM 0 HZ PHE B 1 20.702 7.837 6.577 1.00 0.00 H new ATOM 1648 N ARG B 2 19.973 2.030 4.708 1.00 0.00 N ATOM 1649 CA ARG B 2 18.781 1.522 3.966 1.00 0.00 C ATOM 1650 C ARG B 2 18.495 2.472 2.792 1.00 0.00 C ATOM 1651 O ARG B 2 17.450 3.084 2.719 1.00 0.00 O ATOM 1652 CB ARG B 2 17.554 1.479 4.920 1.00 0.00 C ATOM 1653 CG ARG B 2 17.459 0.122 5.686 1.00 0.00 C ATOM 1654 CD ARG B 2 17.787 0.320 7.174 1.00 0.00 C ATOM 1655 NE ARG B 2 17.613 -0.979 7.907 1.00 0.00 N ATOM 1656 CZ ARG B 2 16.461 -1.593 7.953 1.00 0.00 C ATOM 1657 NH1 ARG B 2 15.384 -1.017 7.494 1.00 0.00 N ATOM 1658 NH2 ARG B 2 16.376 -2.773 8.504 1.00 0.00 N ATOM 0 H ARG B 2 20.180 3.018 4.562 1.00 0.00 H new ATOM 0 HA ARG B 2 18.972 0.516 3.591 1.00 0.00 H new ATOM 0 HB2 ARG B 2 17.623 2.297 5.637 1.00 0.00 H new ATOM 0 HB3 ARG B 2 16.641 1.636 4.345 1.00 0.00 H new ATOM 0 HG2 ARG B 2 16.456 -0.292 5.581 1.00 0.00 H new ATOM 0 HG3 ARG B 2 18.150 -0.599 5.248 1.00 0.00 H new ATOM 0 HD2 ARG B 2 18.810 0.678 7.286 1.00 0.00 H new ATOM 0 HD3 ARG B 2 17.134 1.081 7.602 1.00 0.00 H new ATOM 0 HE ARG B 2 18.416 -1.393 8.381 1.00 0.00 H new ATOM 0 HH11 ARG B 2 15.437 -0.080 7.095 1.00 0.00 H new ATOM 0 HH12 ARG B 2 14.489 -1.504 7.534 1.00 0.00 H new ATOM 0 HH21 ARG B 2 17.208 -3.213 8.897 1.00 0.00 H new ATOM 0 HH22 ARG B 2 15.478 -3.255 8.541 1.00 0.00 H new ATOM 1672 N PHE B 3 19.418 2.599 1.872 1.00 0.00 N ATOM 1673 CA PHE B 3 19.202 3.509 0.700 1.00 0.00 C ATOM 1674 C PHE B 3 18.789 2.675 -0.520 1.00 0.00 C ATOM 1675 O PHE B 3 19.081 1.499 -0.604 1.00 0.00 O ATOM 1676 CB PHE B 3 20.507 4.256 0.387 1.00 0.00 C ATOM 1677 CG PHE B 3 20.665 5.417 1.338 1.00 0.00 C ATOM 1678 CD1 PHE B 3 21.237 5.215 2.606 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.231 6.701 0.958 1.00 0.00 C ATOM 1680 CE1 PHE B 3 21.378 6.295 3.494 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.372 7.783 1.846 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.945 7.580 3.115 1.00 0.00 C ATOM 0 H PHE B 3 20.314 2.112 1.880 1.00 0.00 H new ATOM 0 HA PHE B 3 18.417 4.228 0.935 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.356 3.579 0.479 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.495 4.615 -0.642 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.568 4.229 2.898 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.790 6.856 -0.016 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.819 6.139 4.468 1.00 0.00 H new ATOM 0 HE2 PHE B 3 20.041 8.769 1.554 1.00 0.00 H new ATOM 0 HZ PHE B 3 21.053 8.410 3.798 1.00 0.00 H new ATOM 1692 N ARG B 4 18.118 3.275 -1.472 1.00 0.00 N ATOM 1693 CA ARG B 4 17.697 2.514 -2.687 1.00 0.00 C ATOM 1694 C ARG B 4 17.630 3.473 -3.895 1.00 0.00 C ATOM 1695 O ARG B 4 18.655 3.830 -4.442 1.00 0.00 O ATOM 1696 CB ARG B 4 16.337 1.846 -2.420 1.00 0.00 C ATOM 1697 CG ARG B 4 16.117 0.676 -3.398 1.00 0.00 C ATOM 1698 CD ARG B 4 16.794 -0.604 -2.884 1.00 0.00 C ATOM 1699 NE ARG B 4 16.350 -1.757 -3.718 1.00 0.00 N ATOM 1700 CZ ARG B 4 17.010 -2.882 -3.684 1.00 0.00 C ATOM 1701 NH1 ARG B 4 18.055 -3.004 -2.912 1.00 0.00 N ATOM 1702 NH2 ARG B 4 16.625 -3.886 -4.423 1.00 0.00 N ATOM 0 H ARG B 4 17.844 4.258 -1.460 1.00 0.00 H new ATOM 0 HA ARG B 4 18.422 1.733 -2.916 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.297 1.483 -1.393 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.536 2.577 -2.531 1.00 0.00 H new ATOM 0 HG2 ARG B 4 15.049 0.501 -3.527 1.00 0.00 H new ATOM 0 HG3 ARG B 4 16.518 0.936 -4.378 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.878 -0.501 -2.931 1.00 0.00 H new ATOM 0 HD3 ARG B 4 16.535 -0.773 -1.839 1.00 0.00 H new ATOM 0 HE ARG B 4 15.529 -1.666 -4.316 1.00 0.00 H new ATOM 0 HH11 ARG B 4 18.357 -2.219 -2.334 1.00 0.00 H new ATOM 0 HH12 ARG B 4 18.570 -3.884 -2.886 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.808 -3.791 -5.027 1.00 0.00 H new ATOM 0 HH22 ARG B 4 17.141 -4.766 -4.397 1.00 0.00 H new ATOM 1716 N TYR B 5 16.453 3.901 -4.319 1.00 0.00 N ATOM 1717 CA TYR B 5 16.355 4.844 -5.492 1.00 0.00 C ATOM 1718 C TYR B 5 15.730 6.187 -5.075 1.00 0.00 C ATOM 1719 O TYR B 5 15.532 6.465 -3.910 1.00 0.00 O ATOM 1720 CB TYR B 5 15.559 4.196 -6.643 1.00 0.00 C ATOM 1721 CG TYR B 5 14.438 3.345 -6.116 1.00 0.00 C ATOM 1722 CD1 TYR B 5 13.219 3.936 -5.765 1.00 0.00 C ATOM 1723 CD2 TYR B 5 14.604 1.950 -6.007 1.00 0.00 C ATOM 1724 CE1 TYR B 5 12.166 3.139 -5.292 1.00 0.00 C ATOM 1725 CE2 TYR B 5 13.548 1.151 -5.528 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.329 1.748 -5.168 1.00 0.00 C ATOM 1727 OH TYR B 5 11.292 0.974 -4.696 1.00 0.00 O ATOM 0 H TYR B 5 15.559 3.638 -3.904 1.00 0.00 H new ATOM 0 HA TYR B 5 17.365 5.047 -5.848 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.155 4.973 -7.292 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.226 3.587 -7.252 1.00 0.00 H new ATOM 0 HD1 TYR B 5 13.089 5.004 -5.858 1.00 0.00 H new ATOM 0 HD2 TYR B 5 15.541 1.494 -6.291 1.00 0.00 H new ATOM 0 HE1 TYR B 5 11.226 3.596 -5.022 1.00 0.00 H new ATOM 0 HE2 TYR B 5 13.675 0.082 -5.438 1.00 0.00 H new ATOM 0 HH TYR B 5 11.639 0.106 -4.402 1.00 0.00 H new ATOM 1737 N VAL B 6 15.485 7.040 -6.039 1.00 0.00 N ATOM 1738 CA VAL B 6 14.944 8.408 -5.754 1.00 0.00 C ATOM 1739 C VAL B 6 13.513 8.378 -5.203 1.00 0.00 C ATOM 1740 O VAL B 6 12.691 7.570 -5.594 1.00 0.00 O ATOM 1741 CB VAL B 6 14.944 9.221 -7.057 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.892 10.716 -6.738 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.212 8.913 -7.851 1.00 0.00 C ATOM 0 H VAL B 6 15.639 6.844 -7.028 1.00 0.00 H new ATOM 0 HA VAL B 6 15.583 8.859 -4.995 1.00 0.00 H new ATOM 0 HB VAL B 6 14.069 8.950 -7.647 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.892 11.286 -7.667 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.984 10.937 -6.177 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.763 10.992 -6.143 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.212 9.490 -8.776 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.087 9.179 -7.257 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.244 7.849 -8.087 1.00 0.00 H new ATOM 1753 N CYS B 7 13.209 9.306 -4.325 1.00 0.00 N ATOM 1754 CA CYS B 7 11.829 9.409 -3.760 1.00 0.00 C ATOM 1755 C CYS B 7 11.097 10.549 -4.466 1.00 0.00 C ATOM 1756 O CYS B 7 11.209 11.696 -4.083 1.00 0.00 O ATOM 1757 CB CYS B 7 11.888 9.711 -2.257 1.00 0.00 C ATOM 1758 SG CYS B 7 13.129 8.666 -1.458 1.00 0.00 S ATOM 0 H CYS B 7 13.867 10.002 -3.974 1.00 0.00 H new ATOM 0 HA CYS B 7 11.307 8.464 -3.911 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.131 10.762 -2.099 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.911 9.538 -1.805 1.00 0.00 H new ATOM 1763 N GLU B 8 10.356 10.254 -5.498 1.00 0.00 N ATOM 1764 CA GLU B 8 9.634 11.341 -6.218 1.00 0.00 C ATOM 1765 C GLU B 8 8.315 11.648 -5.506 1.00 0.00 C ATOM 1766 O GLU B 8 7.278 11.807 -6.125 1.00 0.00 O ATOM 1767 CB GLU B 8 9.360 10.913 -7.663 1.00 0.00 C ATOM 1768 CG GLU B 8 8.952 9.440 -7.689 1.00 0.00 C ATOM 1769 CD GLU B 8 8.373 9.095 -9.063 1.00 0.00 C ATOM 1770 OE1 GLU B 8 9.149 8.963 -9.995 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.164 8.970 -9.160 1.00 0.00 O ATOM 0 H GLU B 8 10.219 9.315 -5.872 1.00 0.00 H new ATOM 0 HA GLU B 8 10.252 12.239 -6.224 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.569 11.528 -8.092 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.250 11.066 -8.274 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.815 8.809 -7.477 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.214 9.242 -6.912 1.00 0.00 H new ATOM 1778 N GLY B 9 8.352 11.766 -4.211 1.00 0.00 N ATOM 1779 CA GLY B 9 7.111 12.102 -3.469 1.00 0.00 C ATOM 1780 C GLY B 9 6.784 13.577 -3.774 1.00 0.00 C ATOM 1781 O GLY B 9 6.787 13.948 -4.931 1.00 0.00 O ATOM 0 H GLY B 9 9.186 11.645 -3.636 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.291 11.454 -3.778 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.250 11.952 -2.398 1.00 0.00 H new ATOM 1785 N PRO B 10 6.536 14.404 -2.773 1.00 0.00 N ATOM 1786 CA PRO B 10 6.255 15.828 -3.036 1.00 0.00 C ATOM 1787 C PRO B 10 7.518 16.498 -3.604 1.00 0.00 C ATOM 1788 O PRO B 10 7.688 17.697 -3.523 1.00 0.00 O ATOM 1789 CB PRO B 10 5.867 16.423 -1.663 1.00 0.00 C ATOM 1790 CG PRO B 10 6.039 15.297 -0.602 1.00 0.00 C ATOM 1791 CD PRO B 10 6.495 14.021 -1.345 1.00 0.00 C ATOM 0 HA PRO B 10 5.459 15.980 -3.765 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.500 17.277 -1.422 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.838 16.783 -1.678 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.775 15.587 0.148 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.101 15.119 -0.076 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.473 13.690 -0.997 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.801 13.197 -1.177 1.00 0.00 H new ATOM 1799 N SER B 11 8.400 15.721 -4.176 1.00 0.00 N ATOM 1800 CA SER B 11 9.651 16.283 -4.753 1.00 0.00 C ATOM 1801 C SER B 11 9.381 16.747 -6.186 1.00 0.00 C ATOM 1802 O SER B 11 9.838 17.791 -6.609 1.00 0.00 O ATOM 1803 CB SER B 11 10.734 15.196 -4.756 1.00 0.00 C ATOM 1804 OG SER B 11 12.009 15.804 -4.911 1.00 0.00 O ATOM 0 H SER B 11 8.303 14.710 -4.268 1.00 0.00 H new ATOM 0 HA SER B 11 9.988 17.131 -4.157 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.699 14.629 -3.826 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.554 14.490 -5.566 1.00 0.00 H new ATOM 0 HG SER B 11 12.703 15.112 -4.912 1.00 0.00 H new ATOM 1810 N HIS B 12 8.640 15.978 -6.937 1.00 0.00 N ATOM 1811 CA HIS B 12 8.337 16.371 -8.342 1.00 0.00 C ATOM 1812 C HIS B 12 7.413 17.592 -8.341 1.00 0.00 C ATOM 1813 O HIS B 12 6.338 17.568 -7.778 1.00 0.00 O ATOM 1814 CB HIS B 12 7.645 15.209 -9.059 1.00 0.00 C ATOM 1815 CG HIS B 12 7.471 15.549 -10.513 1.00 0.00 C ATOM 1816 ND1 HIS B 12 6.323 16.154 -11.001 1.00 0.00 N ATOM 1817 CD2 HIS B 12 8.292 15.373 -11.599 1.00 0.00 C ATOM 1818 CE1 HIS B 12 6.484 16.319 -12.326 1.00 0.00 C ATOM 1819 NE2 HIS B 12 7.667 15.861 -12.743 1.00 0.00 N ATOM 0 H HIS B 12 8.231 15.093 -6.637 1.00 0.00 H new ATOM 0 HA HIS B 12 9.265 16.616 -8.859 1.00 0.00 H new ATOM 0 HB2 HIS B 12 8.237 14.300 -8.956 1.00 0.00 H new ATOM 0 HB3 HIS B 12 6.675 15.012 -8.602 1.00 0.00 H new ATOM 0 HD2 HIS B 12 9.274 14.924 -11.570 1.00 0.00 H new ATOM 0 HE1 HIS B 12 5.746 16.768 -12.974 1.00 0.00 H new ATOM 0 HE2 HIS B 12 8.034 15.867 -13.695 1.00 0.00 H new ATOM 1827 N GLY B 13 7.825 18.658 -8.971 1.00 0.00 N ATOM 1828 CA GLY B 13 6.970 19.878 -9.006 1.00 0.00 C ATOM 1829 C GLY B 13 7.800 21.070 -9.484 1.00 0.00 C ATOM 1830 O GLY B 13 7.368 21.733 -10.414 1.00 0.00 O ATOM 1831 OXT GLY B 13 8.854 21.301 -8.914 1.00 0.00 O ATOM 0 H GLY B 13 8.715 18.737 -9.462 1.00 0.00 H new ATOM 0 HA2 GLY B 13 6.122 19.721 -9.673 1.00 0.00 H new ATOM 0 HA3 GLY B 13 6.564 20.079 -8.015 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -7.164 -9.931 -1.205 1.00 0.24 O HETATM 1839 O HOH A 107 9.328 -3.492 4.855 1.00 0.40 O HETATM 1842 O HOH A 108 12.557 1.218 2.196 1.00 0.32 O HETATM 1845 O HOH A 109 -8.957 -8.534 0.099 1.00 0.26 O HETATM 1848 O HOH A 110 -7.599 -12.962 0.750 1.00 0.21 O HETATM 1851 O HOH A 111 -12.236 -2.782 0.453 1.00 0.37 O