USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 809 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 CYS SG : rot -105:sc= -0.454! USER MOD Set 1.2: A 78 GLN : amide:sc= 0.0513 K(o=-0.4,f=-10!) USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 36 LYS NZ :NH3+ -162:sc= -0.144 (180deg=-0.471) USER MOD Set 3.1: A 32 CYS SG : rot -126:sc= -1.32! USER MOD Set 3.2: A 35 CYS SG : rot 108:sc= 0.874! USER MOD Set 4.1: A 1 MET N :NH3+ 169:sc= -3.09! (180deg=-1.38!) USER MOD Set 4.2: A 46 SER OG : rot -41:sc= -3.44! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.0107 K(o=-0.011,f=-0.96) USER MOD Single : A 7 SER OG : rot -72:sc= 0.523 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.949 K(o=-0.95,f=-5.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 170:sc= -0.26 USER MOD Single : A 37 MET CE :methyl -177:sc= 0 (180deg=-0.0201) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= 0.227 K(o=0.23,f=-4.5!) USER MOD Single : A 44 SER OG : rot 129:sc= 0.288 USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0232) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0095 USER MOD Single : A 51 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.13) USER MOD Single : A 62 CYS SG : rot -37:sc= 0.347 USER MOD Single : A 63 GLN : amide:sc= 0.183 K(o=0.18,f=-1.5!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.0828 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 76 THR OG1 : rot 100:sc= 1.09 USER MOD Single : A 81 LYS NZ :NH3+ -178:sc= -3.02! (180deg=-3.27!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -165:sc= 0.15 (180deg=0.088) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -6.02! K(o=-6!,f=-0.24) USER MOD Single : A 94 LYS NZ :NH3+ -136:sc= 1.3 (180deg=-0.567) USER MOD Single : A 96 LYS NZ :NH3+ -168:sc= -3.17! (180deg=-4.36!) USER MOD Single : A 100 THR OG1 : rot 66:sc= 0.181 USER MOD Single : A 102 ASN : amide:sc= -2.25! K(o=-2.3!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.548 0.855 11.172 1.00 3.40 N ATOM 2 CA MET A 1 -5.399 -0.614 10.972 1.00 1.61 C ATOM 3 C MET A 1 -4.325 -0.880 9.916 1.00 1.17 C ATOM 4 O MET A 1 -3.977 -2.015 9.654 1.00 1.22 O ATOM 5 CB MET A 1 -6.718 -1.235 10.511 1.00 0.74 C ATOM 6 CG MET A 1 -7.083 -2.384 11.451 1.00 0.50 C ATOM 7 SD MET A 1 -8.568 -3.339 11.059 1.00 2.29 S ATOM 8 CE MET A 1 -9.430 -3.060 12.625 1.00 2.42 C ATOM 0 H1 MET A 1 -6.396 1.043 11.744 1.00 3.40 H new ATOM 0 H2 MET A 1 -4.710 1.225 11.664 1.00 3.40 H new ATOM 0 H3 MET A 1 -5.642 1.323 10.248 1.00 3.40 H new ATOM 0 HA MET A 1 -5.110 -1.064 11.922 1.00 1.61 H new ATOM 0 HB2 MET A 1 -7.508 -0.484 10.510 1.00 0.74 H new ATOM 0 HB3 MET A 1 -6.625 -1.600 9.488 1.00 0.74 H new ATOM 0 HG2 MET A 1 -6.239 -3.073 11.485 1.00 0.50 H new ATOM 0 HG3 MET A 1 -7.201 -1.974 12.454 1.00 0.50 H new ATOM 0 HE1 MET A 1 -10.393 -3.570 12.606 1.00 2.42 H new ATOM 0 HE2 MET A 1 -8.829 -3.451 13.446 1.00 2.42 H new ATOM 0 HE3 MET A 1 -9.588 -1.991 12.768 1.00 2.42 H new ATOM 20 N VAL A 2 -3.820 0.171 9.328 1.00 0.82 N ATOM 21 CA VAL A 2 -2.765 -0.013 8.291 1.00 0.42 C ATOM 22 C VAL A 2 -1.703 -0.983 8.818 1.00 0.50 C ATOM 23 O VAL A 2 -1.189 -0.811 9.905 1.00 1.08 O ATOM 24 CB VAL A 2 -2.129 1.338 7.979 1.00 0.52 C ATOM 25 CG1 VAL A 2 -1.103 1.168 6.857 1.00 0.59 C ATOM 26 CG2 VAL A 2 -3.221 2.302 7.514 1.00 0.40 C ATOM 0 H VAL A 2 -4.088 1.137 9.517 1.00 0.82 H new ATOM 0 HA VAL A 2 -3.204 -0.423 7.381 1.00 0.42 H new ATOM 0 HB VAL A 2 -1.637 1.730 8.869 1.00 0.52 H new ATOM 0 HG11 VAL A 2 -0.647 2.132 6.632 1.00 0.59 H new ATOM 0 HG12 VAL A 2 -0.331 0.466 7.173 1.00 0.59 H new ATOM 0 HG13 VAL A 2 -1.599 0.784 5.965 1.00 0.59 H new ATOM 0 HG21 VAL A 2 -2.778 3.272 7.288 1.00 0.40 H new ATOM 0 HG22 VAL A 2 -3.700 1.905 6.619 1.00 0.40 H new ATOM 0 HG23 VAL A 2 -3.964 2.418 8.303 1.00 0.40 H new ATOM 36 N LYS A 3 -1.400 -1.979 8.038 1.00 0.07 N ATOM 37 CA LYS A 3 -0.385 -2.980 8.490 1.00 0.07 C ATOM 38 C LYS A 3 0.997 -2.654 7.915 1.00 0.06 C ATOM 39 O LYS A 3 1.115 -1.943 6.937 1.00 0.40 O ATOM 40 CB LYS A 3 -0.813 -4.370 8.025 1.00 0.15 C ATOM 41 CG LYS A 3 0.174 -5.409 8.574 1.00 0.56 C ATOM 42 CD LYS A 3 -0.441 -6.807 8.463 1.00 0.80 C ATOM 43 CE LYS A 3 0.463 -7.804 9.186 1.00 0.96 C ATOM 44 NZ LYS A 3 -0.204 -8.310 10.419 1.00 0.92 N ATOM 0 H LYS A 3 -1.803 -2.147 7.116 1.00 0.07 H new ATOM 0 HA LYS A 3 -0.322 -2.949 9.578 1.00 0.07 H new ATOM 0 HB2 LYS A 3 -1.822 -4.589 8.374 1.00 0.15 H new ATOM 0 HB3 LYS A 3 -0.836 -4.412 6.936 1.00 0.15 H new ATOM 0 HG2 LYS A 3 1.110 -5.367 8.017 1.00 0.56 H new ATOM 0 HG3 LYS A 3 0.412 -5.186 9.614 1.00 0.56 H new ATOM 0 HD2 LYS A 3 -1.439 -6.816 8.902 1.00 0.80 H new ATOM 0 HD3 LYS A 3 -0.551 -7.088 7.416 1.00 0.80 H new ATOM 0 HE2 LYS A 3 0.699 -8.637 8.524 1.00 0.96 H new ATOM 0 HE3 LYS A 3 1.408 -7.326 9.446 1.00 0.96 H new ATOM 0 HZ1 LYS A 3 0.422 -8.987 10.900 1.00 0.92 H new ATOM 0 HZ2 LYS A 3 -0.407 -7.513 11.056 1.00 0.92 H new ATOM 0 HZ3 LYS A 3 -1.094 -8.784 10.163 1.00 0.92 H new ATOM 58 N GLN A 4 2.014 -3.191 8.549 1.00 0.35 N ATOM 59 CA GLN A 4 3.410 -2.944 8.072 1.00 0.31 C ATOM 60 C GLN A 4 4.080 -4.274 7.709 1.00 0.32 C ATOM 61 O GLN A 4 3.848 -5.281 8.349 1.00 0.43 O ATOM 62 CB GLN A 4 4.204 -2.261 9.189 1.00 0.30 C ATOM 63 CG GLN A 4 5.574 -1.831 8.652 1.00 0.21 C ATOM 64 CD GLN A 4 6.433 -1.320 9.811 1.00 0.72 C ATOM 65 OE1 GLN A 4 6.379 -1.832 10.911 1.00 1.86 O ATOM 66 NE2 GLN A 4 7.238 -0.314 9.607 1.00 0.85 N ATOM 0 H GLN A 4 1.936 -3.787 9.373 1.00 0.35 H new ATOM 0 HA GLN A 4 3.386 -2.306 7.189 1.00 0.31 H new ATOM 0 HB2 GLN A 4 3.658 -1.393 9.560 1.00 0.30 H new ATOM 0 HB3 GLN A 4 4.329 -2.943 10.030 1.00 0.30 H new ATOM 0 HG2 GLN A 4 6.066 -2.672 8.163 1.00 0.21 H new ATOM 0 HG3 GLN A 4 5.454 -1.050 7.901 1.00 0.21 H new ATOM 0 HE21 GLN A 4 7.288 0.120 8.685 1.00 0.85 H new ATOM 0 HE22 GLN A 4 7.817 0.038 10.369 1.00 0.85 H new ATOM 75 N ILE A 5 4.896 -4.243 6.687 1.00 0.27 N ATOM 76 CA ILE A 5 5.599 -5.493 6.254 1.00 0.30 C ATOM 77 C ILE A 5 7.089 -5.406 6.612 1.00 0.43 C ATOM 78 O ILE A 5 7.562 -4.380 7.058 1.00 0.54 O ATOM 79 CB ILE A 5 5.441 -5.647 4.734 1.00 0.26 C ATOM 80 CG1 ILE A 5 3.950 -5.506 4.357 1.00 0.31 C ATOM 81 CG2 ILE A 5 5.977 -7.022 4.282 1.00 0.27 C ATOM 82 CD1 ILE A 5 3.102 -6.485 5.182 1.00 0.37 C ATOM 0 H ILE A 5 5.107 -3.412 6.135 1.00 0.27 H new ATOM 0 HA ILE A 5 5.165 -6.354 6.763 1.00 0.30 H new ATOM 0 HB ILE A 5 6.014 -4.869 4.230 1.00 0.26 H new ATOM 0 HG12 ILE A 5 3.617 -4.484 4.536 1.00 0.31 H new ATOM 0 HG13 ILE A 5 3.816 -5.703 3.293 1.00 0.31 H new ATOM 0 HG21 ILE A 5 5.860 -7.121 3.203 1.00 0.27 H new ATOM 0 HG22 ILE A 5 7.032 -7.105 4.542 1.00 0.27 H new ATOM 0 HG23 ILE A 5 5.417 -7.813 4.782 1.00 0.27 H new ATOM 0 HD11 ILE A 5 2.052 -6.377 4.908 1.00 0.37 H new ATOM 0 HD12 ILE A 5 3.426 -7.506 4.981 1.00 0.37 H new ATOM 0 HD13 ILE A 5 3.224 -6.268 6.243 1.00 0.37 H new ATOM 94 N GLU A 6 7.792 -6.488 6.409 1.00 0.44 N ATOM 95 CA GLU A 6 9.251 -6.487 6.734 1.00 0.59 C ATOM 96 C GLU A 6 10.027 -7.311 5.700 1.00 0.61 C ATOM 97 O GLU A 6 11.140 -6.976 5.347 1.00 0.80 O ATOM 98 CB GLU A 6 9.472 -7.089 8.130 1.00 0.67 C ATOM 99 CG GLU A 6 8.161 -7.686 8.660 1.00 0.80 C ATOM 100 CD GLU A 6 7.690 -8.800 7.721 1.00 2.85 C ATOM 101 OE1 GLU A 6 8.549 -9.568 7.320 1.00 3.58 O ATOM 102 OE2 GLU A 6 6.499 -8.820 7.460 1.00 3.98 O ATOM 0 H GLU A 6 7.426 -7.364 6.036 1.00 0.44 H new ATOM 0 HA GLU A 6 9.612 -5.459 6.715 1.00 0.59 H new ATOM 0 HB2 GLU A 6 10.240 -7.861 8.084 1.00 0.67 H new ATOM 0 HB3 GLU A 6 9.833 -6.320 8.813 1.00 0.67 H new ATOM 0 HG2 GLU A 6 8.309 -8.081 9.665 1.00 0.80 H new ATOM 0 HG3 GLU A 6 7.399 -6.910 8.732 1.00 0.80 H new ATOM 109 N SER A 7 9.422 -8.376 5.237 1.00 0.43 N ATOM 110 CA SER A 7 10.111 -9.237 4.226 1.00 0.46 C ATOM 111 C SER A 7 9.120 -9.691 3.149 1.00 0.42 C ATOM 112 O SER A 7 7.941 -9.410 3.229 1.00 0.31 O ATOM 113 CB SER A 7 10.698 -10.461 4.928 1.00 0.51 C ATOM 114 OG SER A 7 9.574 -11.289 5.180 1.00 0.87 O ATOM 0 H SER A 7 8.490 -8.685 5.512 1.00 0.43 H new ATOM 0 HA SER A 7 10.906 -8.663 3.750 1.00 0.46 H new ATOM 0 HB2 SER A 7 11.432 -10.966 4.301 1.00 0.51 H new ATOM 0 HB3 SER A 7 11.205 -10.185 5.853 1.00 0.51 H new ATOM 0 HG SER A 7 9.030 -10.894 5.893 1.00 0.87 H new ATOM 120 N LYS A 8 9.622 -10.384 2.163 1.00 0.53 N ATOM 121 CA LYS A 8 8.726 -10.864 1.073 1.00 0.54 C ATOM 122 C LYS A 8 7.907 -12.060 1.547 1.00 0.56 C ATOM 123 O LYS A 8 6.710 -12.123 1.342 1.00 0.47 O ATOM 124 CB LYS A 8 9.573 -11.271 -0.130 1.00 0.75 C ATOM 125 CG LYS A 8 8.657 -11.829 -1.220 1.00 0.71 C ATOM 126 CD LYS A 8 9.443 -11.933 -2.529 1.00 1.42 C ATOM 127 CE LYS A 8 8.724 -12.899 -3.471 1.00 1.76 C ATOM 128 NZ LYS A 8 9.227 -14.288 -3.275 1.00 1.08 N ATOM 0 H LYS A 8 10.605 -10.637 2.065 1.00 0.53 H new ATOM 0 HA LYS A 8 8.044 -10.061 0.793 1.00 0.54 H new ATOM 0 HB2 LYS A 8 10.127 -10.412 -0.508 1.00 0.75 H new ATOM 0 HB3 LYS A 8 10.308 -12.020 0.164 1.00 0.75 H new ATOM 0 HG2 LYS A 8 8.280 -12.809 -0.929 1.00 0.71 H new ATOM 0 HG3 LYS A 8 7.791 -11.181 -1.352 1.00 0.71 H new ATOM 0 HD2 LYS A 8 9.531 -10.951 -2.993 1.00 1.42 H new ATOM 0 HD3 LYS A 8 10.456 -12.284 -2.332 1.00 1.42 H new ATOM 0 HE2 LYS A 8 7.650 -12.865 -3.287 1.00 1.76 H new ATOM 0 HE3 LYS A 8 8.880 -12.592 -4.505 1.00 1.76 H new ATOM 0 HZ1 LYS A 8 8.729 -14.932 -3.922 1.00 1.08 H new ATOM 0 HZ2 LYS A 8 10.247 -14.319 -3.473 1.00 1.08 H new ATOM 0 HZ3 LYS A 8 9.056 -14.584 -2.293 1.00 1.08 H new ATOM 142 N THR A 9 8.568 -12.982 2.172 1.00 0.71 N ATOM 143 CA THR A 9 7.851 -14.186 2.672 1.00 0.80 C ATOM 144 C THR A 9 6.617 -13.754 3.453 1.00 0.69 C ATOM 145 O THR A 9 5.587 -14.397 3.409 1.00 0.71 O ATOM 146 CB THR A 9 8.785 -14.990 3.580 1.00 0.98 C ATOM 147 OG1 THR A 9 9.926 -15.268 2.774 1.00 1.08 O ATOM 148 CG2 THR A 9 8.193 -16.354 3.926 1.00 1.24 C ATOM 0 H THR A 9 9.570 -12.959 2.360 1.00 0.71 H new ATOM 0 HA THR A 9 7.543 -14.806 1.830 1.00 0.80 H new ATOM 0 HB THR A 9 8.979 -14.435 4.498 1.00 0.98 H new ATOM 0 HG1 THR A 9 10.576 -15.785 3.294 1.00 1.08 H new ATOM 0 HG21 THR A 9 8.883 -16.897 4.572 1.00 1.24 H new ATOM 0 HG22 THR A 9 7.243 -16.218 4.443 1.00 1.24 H new ATOM 0 HG23 THR A 9 8.029 -16.922 3.010 1.00 1.24 H new ATOM 156 N ALA A 10 6.755 -12.671 4.149 1.00 0.62 N ATOM 157 CA ALA A 10 5.612 -12.154 4.939 1.00 0.59 C ATOM 158 C ALA A 10 4.593 -11.504 4.002 1.00 0.44 C ATOM 159 O ALA A 10 3.413 -11.781 4.076 1.00 0.40 O ATOM 160 CB ALA A 10 6.121 -11.118 5.935 1.00 0.63 C ATOM 0 H ALA A 10 7.611 -12.119 4.207 1.00 0.62 H new ATOM 0 HA ALA A 10 5.135 -12.975 5.474 1.00 0.59 H new ATOM 0 HB1 ALA A 10 5.285 -10.734 6.519 1.00 0.63 H new ATOM 0 HB2 ALA A 10 6.848 -11.581 6.602 1.00 0.63 H new ATOM 0 HB3 ALA A 10 6.595 -10.297 5.396 1.00 0.63 H new ATOM 166 N PHE A 11 5.079 -10.645 3.144 1.00 0.36 N ATOM 167 CA PHE A 11 4.166 -9.968 2.178 1.00 0.23 C ATOM 168 C PHE A 11 3.183 -10.988 1.602 1.00 0.19 C ATOM 169 O PHE A 11 2.088 -10.649 1.209 1.00 0.15 O ATOM 170 CB PHE A 11 5.008 -9.365 1.050 1.00 0.22 C ATOM 171 CG PHE A 11 4.103 -8.627 0.057 1.00 0.18 C ATOM 172 CD1 PHE A 11 3.416 -7.488 0.442 1.00 0.18 C ATOM 173 CD2 PHE A 11 3.962 -9.090 -1.241 1.00 0.25 C ATOM 174 CE1 PHE A 11 2.603 -6.825 -0.456 1.00 0.25 C ATOM 175 CE2 PHE A 11 3.149 -8.423 -2.136 1.00 0.30 C ATOM 176 CZ PHE A 11 2.472 -7.292 -1.744 1.00 0.31 C ATOM 0 H PHE A 11 6.063 -10.385 3.071 1.00 0.36 H new ATOM 0 HA PHE A 11 3.604 -9.181 2.682 1.00 0.23 H new ATOM 0 HB2 PHE A 11 5.745 -8.677 1.463 1.00 0.22 H new ATOM 0 HB3 PHE A 11 5.560 -10.152 0.536 1.00 0.22 H new ATOM 0 HD1 PHE A 11 3.517 -7.116 1.451 1.00 0.18 H new ATOM 0 HD2 PHE A 11 4.491 -9.978 -1.555 1.00 0.25 H new ATOM 0 HE1 PHE A 11 2.069 -5.939 -0.147 1.00 0.25 H new ATOM 0 HE2 PHE A 11 3.045 -8.790 -3.146 1.00 0.30 H new ATOM 0 HZ PHE A 11 1.838 -6.771 -2.446 1.00 0.31 H new ATOM 186 N GLN A 12 3.605 -12.222 1.565 1.00 0.26 N ATOM 187 CA GLN A 12 2.714 -13.291 1.023 1.00 0.26 C ATOM 188 C GLN A 12 1.637 -13.655 2.045 1.00 0.19 C ATOM 189 O GLN A 12 0.468 -13.746 1.724 1.00 0.23 O ATOM 190 CB GLN A 12 3.554 -14.529 0.706 1.00 0.37 C ATOM 191 CG GLN A 12 3.458 -14.839 -0.789 1.00 1.02 C ATOM 192 CD GLN A 12 2.012 -15.204 -1.139 1.00 1.76 C ATOM 193 OE1 GLN A 12 1.169 -15.345 -0.276 1.00 2.72 O ATOM 194 NE2 GLN A 12 1.686 -15.367 -2.392 1.00 1.95 N ATOM 0 H GLN A 12 4.521 -12.537 1.884 1.00 0.26 H new ATOM 0 HA GLN A 12 2.229 -12.926 0.117 1.00 0.26 H new ATOM 0 HB2 GLN A 12 4.593 -14.359 0.987 1.00 0.37 H new ATOM 0 HB3 GLN A 12 3.201 -15.380 1.289 1.00 0.37 H new ATOM 0 HG2 GLN A 12 3.779 -13.976 -1.372 1.00 1.02 H new ATOM 0 HG3 GLN A 12 4.125 -15.662 -1.045 1.00 1.02 H new ATOM 0 HE21 GLN A 12 2.389 -15.250 -3.121 1.00 1.95 H new ATOM 0 HE22 GLN A 12 0.728 -15.611 -2.642 1.00 1.95 H new ATOM 203 N GLU A 13 2.061 -13.854 3.253 1.00 0.13 N ATOM 204 CA GLU A 13 1.095 -14.228 4.330 1.00 0.14 C ATOM 205 C GLU A 13 0.025 -13.146 4.502 1.00 0.15 C ATOM 206 O GLU A 13 -1.143 -13.447 4.640 1.00 0.20 O ATOM 207 CB GLU A 13 1.856 -14.404 5.643 1.00 0.17 C ATOM 208 CG GLU A 13 2.863 -15.545 5.491 1.00 0.66 C ATOM 209 CD GLU A 13 3.580 -15.769 6.824 1.00 1.29 C ATOM 210 OE1 GLU A 13 4.122 -14.793 7.318 1.00 2.15 O ATOM 211 OE2 GLU A 13 3.543 -16.902 7.275 1.00 1.94 O ATOM 0 H GLU A 13 3.034 -13.776 3.549 1.00 0.13 H new ATOM 0 HA GLU A 13 0.602 -15.159 4.052 1.00 0.14 H new ATOM 0 HB2 GLU A 13 2.372 -13.480 5.905 1.00 0.17 H new ATOM 0 HB3 GLU A 13 1.161 -14.622 6.454 1.00 0.17 H new ATOM 0 HG2 GLU A 13 2.352 -16.457 5.182 1.00 0.66 H new ATOM 0 HG3 GLU A 13 3.586 -15.305 4.712 1.00 0.66 H new ATOM 218 N ALA A 14 0.442 -11.910 4.490 1.00 0.18 N ATOM 219 CA ALA A 14 -0.550 -10.811 4.658 1.00 0.23 C ATOM 220 C ALA A 14 -1.670 -10.967 3.629 1.00 0.32 C ATOM 221 O ALA A 14 -2.837 -10.950 3.968 1.00 0.53 O ATOM 222 CB ALA A 14 0.147 -9.468 4.456 1.00 0.19 C ATOM 0 H ALA A 14 1.412 -11.616 4.373 1.00 0.18 H new ATOM 0 HA ALA A 14 -0.976 -10.855 5.660 1.00 0.23 H new ATOM 0 HB1 ALA A 14 -0.576 -8.661 4.578 1.00 0.19 H new ATOM 0 HB2 ALA A 14 0.943 -9.357 5.192 1.00 0.19 H new ATOM 0 HB3 ALA A 14 0.572 -9.426 3.453 1.00 0.19 H new ATOM 228 N LEU A 15 -1.288 -11.115 2.395 1.00 0.21 N ATOM 229 CA LEU A 15 -2.311 -11.280 1.327 1.00 0.29 C ATOM 230 C LEU A 15 -3.030 -12.621 1.500 1.00 0.30 C ATOM 231 O LEU A 15 -3.982 -12.916 0.804 1.00 0.37 O ATOM 232 CB LEU A 15 -1.616 -11.233 -0.032 1.00 0.27 C ATOM 233 CG LEU A 15 -0.792 -9.944 -0.126 1.00 0.31 C ATOM 234 CD1 LEU A 15 -0.077 -9.900 -1.473 1.00 0.36 C ATOM 235 CD2 LEU A 15 -1.718 -8.732 -0.011 1.00 0.48 C ATOM 0 H LEU A 15 -0.318 -11.129 2.079 1.00 0.21 H new ATOM 0 HA LEU A 15 -3.046 -10.478 1.392 1.00 0.29 H new ATOM 0 HB2 LEU A 15 -0.970 -12.103 -0.155 1.00 0.27 H new ATOM 0 HB3 LEU A 15 -2.354 -11.268 -0.834 1.00 0.27 H new ATOM 0 HG LEU A 15 -0.061 -9.923 0.683 1.00 0.31 H new ATOM 0 HD11 LEU A 15 0.510 -8.984 -1.544 1.00 0.36 H new ATOM 0 HD12 LEU A 15 0.583 -10.762 -1.563 1.00 0.36 H new ATOM 0 HD13 LEU A 15 -0.813 -9.922 -2.277 1.00 0.36 H new ATOM 0 HD21 LEU A 15 -1.130 -7.817 -0.078 1.00 0.48 H new ATOM 0 HD22 LEU A 15 -2.448 -8.754 -0.820 1.00 0.48 H new ATOM 0 HD23 LEU A 15 -2.237 -8.760 0.947 1.00 0.48 H new ATOM 247 N ASP A 16 -2.557 -13.406 2.432 1.00 0.31 N ATOM 248 CA ASP A 16 -3.198 -14.730 2.675 1.00 0.36 C ATOM 249 C ASP A 16 -4.227 -14.615 3.799 1.00 0.33 C ATOM 250 O ASP A 16 -5.181 -15.365 3.851 1.00 0.30 O ATOM 251 CB ASP A 16 -2.125 -15.741 3.070 1.00 0.45 C ATOM 252 CG ASP A 16 -2.565 -17.142 2.640 1.00 0.48 C ATOM 253 OD1 ASP A 16 -3.238 -17.768 3.444 1.00 0.88 O ATOM 254 OD2 ASP A 16 -2.204 -17.507 1.533 1.00 1.12 O ATOM 0 H ASP A 16 -1.760 -13.189 3.031 1.00 0.31 H new ATOM 0 HA ASP A 16 -3.701 -15.059 1.766 1.00 0.36 H new ATOM 0 HB2 ASP A 16 -1.177 -15.485 2.598 1.00 0.45 H new ATOM 0 HB3 ASP A 16 -1.962 -15.713 4.147 1.00 0.45 H new ATOM 259 N ALA A 17 -4.003 -13.675 4.673 1.00 0.37 N ATOM 260 CA ALA A 17 -4.953 -13.477 5.812 1.00 0.38 C ATOM 261 C ALA A 17 -5.823 -12.244 5.555 1.00 0.32 C ATOM 262 O ALA A 17 -6.582 -11.825 6.407 1.00 0.30 O ATOM 263 CB ALA A 17 -4.155 -13.278 7.098 1.00 0.56 C ATOM 0 H ALA A 17 -3.208 -13.036 4.652 1.00 0.37 H new ATOM 0 HA ALA A 17 -5.595 -14.353 5.906 1.00 0.38 H new ATOM 0 HB1 ALA A 17 -4.841 -13.133 7.933 1.00 0.56 H new ATOM 0 HB2 ALA A 17 -3.538 -14.158 7.283 1.00 0.56 H new ATOM 0 HB3 ALA A 17 -3.515 -12.401 6.997 1.00 0.56 H new ATOM 269 N ALA A 18 -5.689 -11.691 4.385 1.00 0.34 N ATOM 270 CA ALA A 18 -6.489 -10.481 4.043 1.00 0.29 C ATOM 271 C ALA A 18 -7.824 -10.887 3.415 1.00 0.29 C ATOM 272 O ALA A 18 -8.638 -10.046 3.083 1.00 0.32 O ATOM 273 CB ALA A 18 -5.697 -9.643 3.046 1.00 0.34 C ATOM 0 H ALA A 18 -5.063 -12.022 3.651 1.00 0.34 H new ATOM 0 HA ALA A 18 -6.689 -9.909 4.949 1.00 0.29 H new ATOM 0 HB1 ALA A 18 -6.268 -8.752 2.784 1.00 0.34 H new ATOM 0 HB2 ALA A 18 -4.748 -9.347 3.493 1.00 0.34 H new ATOM 0 HB3 ALA A 18 -5.508 -10.230 2.147 1.00 0.34 H new ATOM 279 N GLY A 19 -8.025 -12.166 3.267 1.00 0.30 N ATOM 280 CA GLY A 19 -9.296 -12.635 2.653 1.00 0.34 C ATOM 281 C GLY A 19 -9.256 -12.402 1.144 1.00 0.33 C ATOM 282 O GLY A 19 -8.534 -13.065 0.428 1.00 0.42 O ATOM 0 H GLY A 19 -7.372 -12.900 3.541 1.00 0.30 H new ATOM 0 HA2 GLY A 19 -9.443 -13.694 2.863 1.00 0.34 H new ATOM 0 HA3 GLY A 19 -10.141 -12.103 3.091 1.00 0.34 H new ATOM 286 N ASP A 20 -10.035 -11.461 0.691 1.00 0.27 N ATOM 287 CA ASP A 20 -10.047 -11.168 -0.773 1.00 0.25 C ATOM 288 C ASP A 20 -10.355 -9.685 -1.036 1.00 0.18 C ATOM 289 O ASP A 20 -10.089 -9.181 -2.110 1.00 0.17 O ATOM 290 CB ASP A 20 -11.108 -12.036 -1.447 1.00 0.26 C ATOM 291 CG ASP A 20 -10.838 -12.091 -2.952 1.00 1.58 C ATOM 292 OD1 ASP A 20 -10.187 -11.170 -3.420 1.00 2.82 O ATOM 293 OD2 ASP A 20 -11.298 -13.051 -3.550 1.00 2.12 O ATOM 0 H ASP A 20 -10.657 -10.887 1.260 1.00 0.27 H new ATOM 0 HA ASP A 20 -9.062 -11.390 -1.182 1.00 0.25 H new ATOM 0 HB2 ASP A 20 -11.092 -13.041 -1.026 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.101 -11.628 -1.259 1.00 0.26 H new ATOM 298 N LYS A 21 -10.914 -9.019 -0.057 1.00 0.17 N ATOM 299 CA LYS A 21 -11.234 -7.573 -0.244 1.00 0.10 C ATOM 300 C LYS A 21 -10.064 -6.861 -0.924 1.00 0.05 C ATOM 301 O LYS A 21 -8.951 -7.350 -0.915 1.00 0.09 O ATOM 302 CB LYS A 21 -11.491 -6.937 1.119 1.00 0.14 C ATOM 303 CG LYS A 21 -12.637 -7.674 1.811 1.00 0.21 C ATOM 304 CD LYS A 21 -12.138 -8.239 3.141 1.00 0.32 C ATOM 305 CE LYS A 21 -13.288 -8.967 3.839 1.00 0.32 C ATOM 306 NZ LYS A 21 -12.939 -9.253 5.258 1.00 1.22 N ATOM 0 H LYS A 21 -11.160 -9.409 0.853 1.00 0.17 H new ATOM 0 HA LYS A 21 -12.120 -7.479 -0.871 1.00 0.10 H new ATOM 0 HB2 LYS A 21 -10.590 -6.985 1.731 1.00 0.14 H new ATOM 0 HB3 LYS A 21 -11.740 -5.883 1.000 1.00 0.14 H new ATOM 0 HG2 LYS A 21 -13.473 -6.995 1.981 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -13.005 -8.479 1.175 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.308 -8.924 2.970 1.00 0.32 H new ATOM 0 HD3 LYS A 21 -11.763 -7.435 3.774 1.00 0.32 H new ATOM 0 HE2 LYS A 21 -14.191 -8.358 3.796 1.00 0.32 H new ATOM 0 HE3 LYS A 21 -13.507 -9.899 3.317 1.00 0.32 H new ATOM 0 HZ1 LYS A 21 -13.730 -9.747 5.717 1.00 1.22 H new ATOM 0 HZ2 LYS A 21 -12.090 -9.852 5.293 1.00 1.22 H new ATOM 0 HZ3 LYS A 21 -12.753 -8.359 5.757 1.00 1.22 H new ATOM 320 N LEU A 22 -10.335 -5.724 -1.499 1.00 0.08 N ATOM 321 CA LEU A 22 -9.240 -4.978 -2.176 1.00 0.17 C ATOM 322 C LEU A 22 -8.102 -4.732 -1.183 1.00 0.09 C ATOM 323 O LEU A 22 -8.336 -4.326 -0.059 1.00 0.29 O ATOM 324 CB LEU A 22 -9.790 -3.644 -2.693 1.00 0.39 C ATOM 325 CG LEU A 22 -8.681 -2.863 -3.416 1.00 1.11 C ATOM 326 CD1 LEU A 22 -8.186 -3.664 -4.624 1.00 1.92 C ATOM 327 CD2 LEU A 22 -9.248 -1.527 -3.903 1.00 1.34 C ATOM 0 H LEU A 22 -11.254 -5.283 -1.530 1.00 0.08 H new ATOM 0 HA LEU A 22 -8.856 -5.558 -3.015 1.00 0.17 H new ATOM 0 HB2 LEU A 22 -10.622 -3.824 -3.373 1.00 0.39 H new ATOM 0 HB3 LEU A 22 -10.179 -3.055 -1.862 1.00 0.39 H new ATOM 0 HG LEU A 22 -7.852 -2.692 -2.729 1.00 1.11 H new ATOM 0 HD11 LEU A 22 -7.400 -3.106 -5.133 1.00 1.92 H new ATOM 0 HD12 LEU A 22 -7.791 -4.623 -4.288 1.00 1.92 H new ATOM 0 HD13 LEU A 22 -9.014 -3.834 -5.312 1.00 1.92 H new ATOM 0 HD21 LEU A 22 -8.467 -0.966 -4.417 1.00 1.34 H new ATOM 0 HD22 LEU A 22 -10.075 -1.711 -4.589 1.00 1.34 H new ATOM 0 HD23 LEU A 22 -9.606 -0.951 -3.050 1.00 1.34 H new ATOM 339 N VAL A 23 -6.896 -4.983 -1.621 1.00 0.12 N ATOM 340 CA VAL A 23 -5.718 -4.787 -0.723 1.00 0.10 C ATOM 341 C VAL A 23 -4.732 -3.805 -1.364 1.00 0.09 C ATOM 342 O VAL A 23 -4.031 -4.147 -2.295 1.00 0.11 O ATOM 343 CB VAL A 23 -5.038 -6.140 -0.509 1.00 0.23 C ATOM 344 CG1 VAL A 23 -4.300 -6.127 0.823 1.00 0.42 C ATOM 345 CG2 VAL A 23 -6.101 -7.241 -0.481 1.00 0.17 C ATOM 0 H VAL A 23 -6.675 -5.315 -2.560 1.00 0.12 H new ATOM 0 HA VAL A 23 -6.044 -4.379 0.234 1.00 0.10 H new ATOM 0 HB VAL A 23 -4.334 -6.327 -1.319 1.00 0.23 H new ATOM 0 HG11 VAL A 23 -3.814 -7.090 0.979 1.00 0.42 H new ATOM 0 HG12 VAL A 23 -3.548 -5.338 0.815 1.00 0.42 H new ATOM 0 HG13 VAL A 23 -5.009 -5.944 1.630 1.00 0.42 H new ATOM 0 HG21 VAL A 23 -5.620 -8.207 -0.329 1.00 0.17 H new ATOM 0 HG22 VAL A 23 -6.800 -7.051 0.333 1.00 0.17 H new ATOM 0 HG23 VAL A 23 -6.641 -7.250 -1.428 1.00 0.17 H new ATOM 355 N VAL A 24 -4.698 -2.605 -0.845 1.00 0.10 N ATOM 356 CA VAL A 24 -3.773 -1.582 -1.421 1.00 0.13 C ATOM 357 C VAL A 24 -2.506 -1.475 -0.565 1.00 0.18 C ATOM 358 O VAL A 24 -2.543 -1.716 0.626 1.00 0.45 O ATOM 359 CB VAL A 24 -4.484 -0.231 -1.451 1.00 0.13 C ATOM 360 CG1 VAL A 24 -3.550 0.816 -2.051 1.00 0.18 C ATOM 361 CG2 VAL A 24 -5.741 -0.341 -2.317 1.00 0.12 C ATOM 0 H VAL A 24 -5.263 -2.291 -0.056 1.00 0.10 H new ATOM 0 HA VAL A 24 -3.491 -1.877 -2.432 1.00 0.13 H new ATOM 0 HB VAL A 24 -4.760 0.061 -0.438 1.00 0.13 H new ATOM 0 HG11 VAL A 24 -4.054 1.782 -2.074 1.00 0.18 H new ATOM 0 HG12 VAL A 24 -2.649 0.891 -1.442 1.00 0.18 H new ATOM 0 HG13 VAL A 24 -3.279 0.523 -3.065 1.00 0.18 H new ATOM 0 HG21 VAL A 24 -6.252 0.622 -2.341 1.00 0.12 H new ATOM 0 HG22 VAL A 24 -5.461 -0.628 -3.330 1.00 0.12 H new ATOM 0 HG23 VAL A 24 -6.407 -1.095 -1.897 1.00 0.12 H new ATOM 371 N VAL A 25 -1.410 -1.119 -1.195 1.00 0.19 N ATOM 372 CA VAL A 25 -0.125 -0.992 -0.432 1.00 0.20 C ATOM 373 C VAL A 25 0.498 0.384 -0.661 1.00 0.17 C ATOM 374 O VAL A 25 0.437 0.920 -1.751 1.00 0.20 O ATOM 375 CB VAL A 25 0.873 -2.049 -0.916 1.00 0.23 C ATOM 376 CG1 VAL A 25 2.122 -1.989 -0.038 1.00 0.30 C ATOM 377 CG2 VAL A 25 0.272 -3.452 -0.810 1.00 0.21 C ATOM 0 H VAL A 25 -1.349 -0.913 -2.192 1.00 0.19 H new ATOM 0 HA VAL A 25 -0.345 -1.129 0.627 1.00 0.20 H new ATOM 0 HB VAL A 25 1.119 -1.845 -1.958 1.00 0.23 H new ATOM 0 HG11 VAL A 25 2.839 -2.738 -0.374 1.00 0.30 H new ATOM 0 HG12 VAL A 25 2.571 -0.998 -0.111 1.00 0.30 H new ATOM 0 HG13 VAL A 25 1.848 -2.188 0.998 1.00 0.30 H new ATOM 0 HG21 VAL A 25 0.998 -4.186 -1.159 1.00 0.21 H new ATOM 0 HG22 VAL A 25 0.016 -3.661 0.229 1.00 0.21 H new ATOM 0 HG23 VAL A 25 -0.627 -3.510 -1.424 1.00 0.21 H new ATOM 387 N ASP A 26 1.085 0.926 0.379 1.00 0.24 N ATOM 388 CA ASP A 26 1.750 2.257 0.241 1.00 0.20 C ATOM 389 C ASP A 26 3.268 2.084 0.339 1.00 0.19 C ATOM 390 O ASP A 26 3.828 2.079 1.418 1.00 0.18 O ATOM 391 CB ASP A 26 1.276 3.179 1.358 1.00 0.22 C ATOM 392 CG ASP A 26 2.051 4.497 1.282 1.00 0.21 C ATOM 393 OD1 ASP A 26 2.517 4.789 0.192 1.00 0.94 O ATOM 394 OD2 ASP A 26 2.134 5.137 2.317 1.00 1.11 O ATOM 0 H ASP A 26 1.132 0.508 1.308 1.00 0.24 H new ATOM 0 HA ASP A 26 1.494 2.690 -0.726 1.00 0.20 H new ATOM 0 HB2 ASP A 26 0.206 3.366 1.263 1.00 0.22 H new ATOM 0 HB3 ASP A 26 1.432 2.706 2.328 1.00 0.22 H new ATOM 399 N PHE A 27 3.898 1.936 -0.790 1.00 0.21 N ATOM 400 CA PHE A 27 5.378 1.762 -0.788 1.00 0.21 C ATOM 401 C PHE A 27 6.066 3.116 -0.602 1.00 0.22 C ATOM 402 O PHE A 27 6.256 3.855 -1.549 1.00 0.24 O ATOM 403 CB PHE A 27 5.799 1.154 -2.116 1.00 0.21 C ATOM 404 CG PHE A 27 5.469 -0.338 -2.115 1.00 0.21 C ATOM 405 CD1 PHE A 27 6.359 -1.250 -1.579 1.00 0.19 C ATOM 406 CD2 PHE A 27 4.277 -0.800 -2.650 1.00 0.24 C ATOM 407 CE1 PHE A 27 6.070 -2.596 -1.583 1.00 0.19 C ATOM 408 CE2 PHE A 27 3.993 -2.151 -2.649 1.00 0.24 C ATOM 409 CZ PHE A 27 4.890 -3.046 -2.118 1.00 0.21 C ATOM 0 H PHE A 27 3.457 1.928 -1.710 1.00 0.21 H new ATOM 0 HA PHE A 27 5.668 1.106 0.033 1.00 0.21 H new ATOM 0 HB2 PHE A 27 5.283 1.652 -2.937 1.00 0.21 H new ATOM 0 HB3 PHE A 27 6.867 1.302 -2.275 1.00 0.21 H new ATOM 0 HD1 PHE A 27 7.289 -0.904 -1.153 1.00 0.19 H new ATOM 0 HD2 PHE A 27 3.568 -0.101 -3.069 1.00 0.24 H new ATOM 0 HE1 PHE A 27 6.774 -3.299 -1.164 1.00 0.19 H new ATOM 0 HE2 PHE A 27 3.062 -2.506 -3.067 1.00 0.24 H new ATOM 0 HZ PHE A 27 4.666 -4.103 -2.122 1.00 0.21 H new ATOM 419 N SER A 28 6.422 3.411 0.619 1.00 0.23 N ATOM 420 CA SER A 28 7.099 4.710 0.896 1.00 0.25 C ATOM 421 C SER A 28 8.222 4.505 1.916 1.00 0.21 C ATOM 422 O SER A 28 8.507 3.392 2.306 1.00 0.16 O ATOM 423 CB SER A 28 6.078 5.699 1.452 1.00 0.35 C ATOM 424 OG SER A 28 6.667 6.970 1.223 1.00 1.31 O ATOM 0 H SER A 28 6.275 2.813 1.432 1.00 0.23 H new ATOM 0 HA SER A 28 7.525 5.101 -0.028 1.00 0.25 H new ATOM 0 HB2 SER A 28 5.117 5.608 0.945 1.00 0.35 H new ATOM 0 HB3 SER A 28 5.896 5.529 2.513 1.00 0.35 H new ATOM 0 HG SER A 28 6.009 7.673 1.404 1.00 1.31 H new ATOM 430 N ALA A 29 8.834 5.585 2.324 1.00 0.26 N ATOM 431 CA ALA A 29 9.945 5.472 3.318 1.00 0.28 C ATOM 432 C ALA A 29 9.457 5.893 4.708 1.00 0.39 C ATOM 433 O ALA A 29 8.718 6.845 4.849 1.00 0.42 O ATOM 434 CB ALA A 29 11.093 6.380 2.886 1.00 0.27 C ATOM 0 H ALA A 29 8.617 6.533 2.016 1.00 0.26 H new ATOM 0 HA ALA A 29 10.284 4.437 3.363 1.00 0.28 H new ATOM 0 HB1 ALA A 29 11.908 6.304 3.606 1.00 0.27 H new ATOM 0 HB2 ALA A 29 11.448 6.074 1.902 1.00 0.27 H new ATOM 0 HB3 ALA A 29 10.744 7.412 2.841 1.00 0.27 H new ATOM 440 N THR A 30 9.885 5.169 5.707 1.00 0.49 N ATOM 441 CA THR A 30 9.461 5.514 7.096 1.00 0.61 C ATOM 442 C THR A 30 10.453 6.501 7.713 1.00 0.57 C ATOM 443 O THR A 30 10.137 7.207 8.650 1.00 0.75 O ATOM 444 CB THR A 30 9.422 4.238 7.940 1.00 0.75 C ATOM 445 OG1 THR A 30 8.730 4.609 9.128 1.00 0.83 O ATOM 446 CG2 THR A 30 10.819 3.827 8.397 1.00 0.78 C ATOM 0 H THR A 30 10.503 4.362 5.624 1.00 0.49 H new ATOM 0 HA THR A 30 8.472 5.971 7.069 1.00 0.61 H new ATOM 0 HB THR A 30 8.974 3.426 7.367 1.00 0.75 H new ATOM 0 HG1 THR A 30 8.664 3.834 9.724 1.00 0.83 H new ATOM 0 HG21 THR A 30 10.754 2.917 8.994 1.00 0.78 H new ATOM 0 HG22 THR A 30 11.448 3.645 7.526 1.00 0.78 H new ATOM 0 HG23 THR A 30 11.255 4.625 8.998 1.00 0.78 H new ATOM 454 N TRP A 31 11.632 6.525 7.165 1.00 0.46 N ATOM 455 CA TRP A 31 12.673 7.451 7.689 1.00 0.49 C ATOM 456 C TRP A 31 12.504 8.842 7.067 1.00 0.41 C ATOM 457 O TRP A 31 12.514 9.841 7.760 1.00 0.40 O ATOM 458 CB TRP A 31 14.040 6.893 7.315 1.00 0.54 C ATOM 459 CG TRP A 31 14.076 6.685 5.799 1.00 0.49 C ATOM 460 CD1 TRP A 31 13.623 5.593 5.191 1.00 0.47 C ATOM 461 CD2 TRP A 31 14.521 7.568 4.918 1.00 0.47 C ATOM 462 NE1 TRP A 31 13.812 5.853 3.890 1.00 0.42 N ATOM 463 CE2 TRP A 31 14.372 7.079 3.631 1.00 0.43 C ATOM 464 CE3 TRP A 31 15.069 8.831 5.104 1.00 0.49 C ATOM 465 CZ2 TRP A 31 14.763 7.835 2.551 1.00 0.41 C ATOM 466 CZ3 TRP A 31 15.460 9.583 4.015 1.00 0.48 C ATOM 467 CH2 TRP A 31 15.308 9.085 2.741 1.00 0.44 C ATOM 0 H TRP A 31 11.921 5.945 6.378 1.00 0.46 H new ATOM 0 HA TRP A 31 12.578 7.539 8.771 1.00 0.49 H new ATOM 0 HB2 TRP A 31 14.828 7.581 7.623 1.00 0.54 H new ATOM 0 HB3 TRP A 31 14.220 5.950 7.832 1.00 0.54 H new ATOM 0 HD1 TRP A 31 13.202 4.705 5.640 1.00 0.47 H new ATOM 0 HE1 TRP A 31 13.560 5.194 3.153 1.00 0.42 H new ATOM 0 HE3 TRP A 31 15.189 9.225 6.102 1.00 0.49 H new ATOM 0 HZ2 TRP A 31 14.642 7.447 1.550 1.00 0.41 H new ATOM 0 HZ3 TRP A 31 15.886 10.564 4.163 1.00 0.48 H new ATOM 0 HH2 TRP A 31 15.616 9.675 1.890 1.00 0.44 H new ATOM 478 N CYS A 32 12.351 8.873 5.769 1.00 0.35 N ATOM 479 CA CYS A 32 12.188 10.187 5.078 1.00 0.30 C ATOM 480 C CYS A 32 11.060 11.000 5.727 1.00 0.26 C ATOM 481 O CYS A 32 10.247 10.470 6.457 1.00 0.27 O ATOM 482 CB CYS A 32 11.856 9.942 3.609 1.00 0.27 C ATOM 483 SG CYS A 32 11.203 11.341 2.666 1.00 0.39 S ATOM 0 H CYS A 32 12.332 8.054 5.162 1.00 0.35 H new ATOM 0 HA CYS A 32 13.118 10.750 5.163 1.00 0.30 H new ATOM 0 HB2 CYS A 32 12.761 9.592 3.112 1.00 0.27 H new ATOM 0 HB3 CYS A 32 11.130 9.131 3.557 1.00 0.27 H new ATOM 0 HG CYS A 32 10.077 11.003 2.112 1.00 0.39 H new ATOM 489 N GLY A 33 11.041 12.275 5.442 1.00 0.24 N ATOM 490 CA GLY A 33 9.980 13.152 6.027 1.00 0.22 C ATOM 491 C GLY A 33 8.826 13.377 5.030 1.00 0.23 C ATOM 492 O GLY A 33 7.720 12.929 5.251 1.00 0.22 O ATOM 0 H GLY A 33 11.710 12.747 4.833 1.00 0.24 H new ATOM 0 HA2 GLY A 33 9.592 12.698 6.939 1.00 0.22 H new ATOM 0 HA3 GLY A 33 10.413 14.112 6.308 1.00 0.22 H new ATOM 496 N PRO A 34 9.113 14.081 3.947 1.00 0.23 N ATOM 497 CA PRO A 34 8.098 14.369 2.923 1.00 0.23 C ATOM 498 C PRO A 34 7.367 13.091 2.500 1.00 0.23 C ATOM 499 O PRO A 34 6.357 13.147 1.824 1.00 0.50 O ATOM 500 CB PRO A 34 8.876 14.976 1.750 1.00 0.23 C ATOM 501 CG PRO A 34 10.327 15.245 2.251 1.00 0.23 C ATOM 502 CD PRO A 34 10.450 14.626 3.660 1.00 0.23 C ATOM 0 HA PRO A 34 7.328 15.047 3.292 1.00 0.23 H new ATOM 0 HB2 PRO A 34 8.883 14.295 0.899 1.00 0.23 H new ATOM 0 HB3 PRO A 34 8.407 15.901 1.414 1.00 0.23 H new ATOM 0 HG2 PRO A 34 11.056 14.802 1.572 1.00 0.23 H new ATOM 0 HG3 PRO A 34 10.530 16.315 2.283 1.00 0.23 H new ATOM 0 HD2 PRO A 34 11.210 13.845 3.684 1.00 0.23 H new ATOM 0 HD3 PRO A 34 10.739 15.375 4.398 1.00 0.23 H new ATOM 510 N CYS A 35 7.889 11.967 2.905 1.00 0.18 N ATOM 511 CA CYS A 35 7.217 10.685 2.548 1.00 0.23 C ATOM 512 C CYS A 35 6.131 10.383 3.576 1.00 0.18 C ATOM 513 O CYS A 35 5.106 9.817 3.253 1.00 0.25 O ATOM 514 CB CYS A 35 8.246 9.555 2.539 1.00 0.33 C ATOM 515 SG CYS A 35 9.378 9.476 1.130 1.00 0.49 S ATOM 0 H CYS A 35 8.740 11.879 3.460 1.00 0.18 H new ATOM 0 HA CYS A 35 6.768 10.769 1.559 1.00 0.23 H new ATOM 0 HB2 CYS A 35 8.843 9.635 3.447 1.00 0.33 H new ATOM 0 HB3 CYS A 35 7.708 8.608 2.593 1.00 0.33 H new ATOM 0 HG CYS A 35 10.568 9.837 1.509 1.00 0.49 H new ATOM 521 N LYS A 36 6.382 10.770 4.799 1.00 0.22 N ATOM 522 CA LYS A 36 5.377 10.531 5.865 1.00 0.30 C ATOM 523 C LYS A 36 4.534 11.795 6.087 1.00 0.31 C ATOM 524 O LYS A 36 3.817 11.900 7.055 1.00 0.56 O ATOM 525 CB LYS A 36 6.092 10.150 7.160 1.00 0.31 C ATOM 526 CG LYS A 36 5.044 9.872 8.245 1.00 0.53 C ATOM 527 CD LYS A 36 5.547 8.759 9.168 1.00 0.38 C ATOM 528 CE LYS A 36 5.339 7.399 8.494 1.00 2.60 C ATOM 529 NZ LYS A 36 6.536 6.535 8.697 1.00 3.26 N ATOM 0 H LYS A 36 7.236 11.239 5.101 1.00 0.22 H new ATOM 0 HA LYS A 36 4.717 9.718 5.562 1.00 0.30 H new ATOM 0 HB2 LYS A 36 6.713 9.268 7.002 1.00 0.31 H new ATOM 0 HB3 LYS A 36 6.756 10.955 7.475 1.00 0.31 H new ATOM 0 HG2 LYS A 36 4.852 10.777 8.821 1.00 0.53 H new ATOM 0 HG3 LYS A 36 4.099 9.580 7.787 1.00 0.53 H new ATOM 0 HD2 LYS A 36 6.603 8.908 9.391 1.00 0.38 H new ATOM 0 HD3 LYS A 36 5.013 8.791 10.118 1.00 0.38 H new ATOM 0 HE2 LYS A 36 4.456 6.912 8.907 1.00 2.60 H new ATOM 0 HE3 LYS A 36 5.158 7.537 7.428 1.00 2.60 H new ATOM 0 HZ1 LYS A 36 6.525 5.759 8.005 1.00 3.26 H new ATOM 0 HZ2 LYS A 36 7.399 7.101 8.569 1.00 3.26 H new ATOM 0 HZ3 LYS A 36 6.520 6.141 9.659 1.00 3.26 H new ATOM 543 N MET A 37 4.667 12.741 5.201 1.00 0.27 N ATOM 544 CA MET A 37 3.854 13.984 5.343 1.00 0.29 C ATOM 545 C MET A 37 2.435 13.707 4.840 1.00 0.28 C ATOM 546 O MET A 37 1.479 14.314 5.282 1.00 0.28 O ATOM 547 CB MET A 37 4.488 15.100 4.514 1.00 0.36 C ATOM 548 CG MET A 37 3.827 16.435 4.871 1.00 0.71 C ATOM 549 SD MET A 37 3.565 17.619 3.527 1.00 2.02 S ATOM 550 CE MET A 37 5.307 17.916 3.142 1.00 2.68 C ATOM 0 H MET A 37 5.293 12.711 4.396 1.00 0.27 H new ATOM 0 HA MET A 37 3.818 14.291 6.388 1.00 0.29 H new ATOM 0 HB2 MET A 37 5.560 15.149 4.708 1.00 0.36 H new ATOM 0 HB3 MET A 37 4.365 14.893 3.451 1.00 0.36 H new ATOM 0 HG2 MET A 37 2.859 16.221 5.325 1.00 0.71 H new ATOM 0 HG3 MET A 37 4.437 16.920 5.633 1.00 0.71 H new ATOM 0 HE1 MET A 37 5.383 18.671 2.360 1.00 2.68 H new ATOM 0 HE2 MET A 37 5.823 18.266 4.036 1.00 2.68 H new ATOM 0 HE3 MET A 37 5.767 16.990 2.798 1.00 2.68 H new ATOM 560 N ILE A 38 2.340 12.788 3.918 1.00 0.32 N ATOM 561 CA ILE A 38 1.001 12.425 3.362 1.00 0.38 C ATOM 562 C ILE A 38 0.447 11.201 4.104 1.00 0.34 C ATOM 563 O ILE A 38 -0.318 10.429 3.563 1.00 0.12 O ATOM 564 CB ILE A 38 1.166 12.094 1.875 1.00 0.47 C ATOM 565 CG1 ILE A 38 1.892 13.256 1.165 1.00 0.20 C ATOM 566 CG2 ILE A 38 -0.211 11.859 1.239 1.00 0.80 C ATOM 567 CD1 ILE A 38 1.161 14.583 1.426 1.00 1.43 C ATOM 0 H ILE A 38 3.128 12.273 3.525 1.00 0.32 H new ATOM 0 HA ILE A 38 0.307 13.257 3.486 1.00 0.38 H new ATOM 0 HB ILE A 38 1.760 11.187 1.768 1.00 0.47 H new ATOM 0 HG12 ILE A 38 2.920 13.323 1.522 1.00 0.20 H new ATOM 0 HG13 ILE A 38 1.938 13.064 0.093 1.00 0.20 H new ATOM 0 HG21 ILE A 38 -0.088 11.624 0.182 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -0.706 11.027 1.740 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -0.818 12.758 1.343 1.00 0.80 H new ATOM 0 HD11 ILE A 38 1.685 15.393 0.919 1.00 1.43 H new ATOM 0 HD12 ILE A 38 0.141 14.517 1.047 1.00 1.43 H new ATOM 0 HD13 ILE A 38 1.138 14.781 2.498 1.00 1.43 H new ATOM 579 N LYS A 39 0.852 11.063 5.332 1.00 0.58 N ATOM 580 CA LYS A 39 0.386 9.903 6.146 1.00 0.59 C ATOM 581 C LYS A 39 -1.040 10.127 6.709 1.00 0.56 C ATOM 582 O LYS A 39 -1.844 9.221 6.697 1.00 0.54 O ATOM 583 CB LYS A 39 1.401 9.656 7.283 1.00 0.67 C ATOM 584 CG LYS A 39 0.695 9.393 8.622 1.00 2.25 C ATOM 585 CD LYS A 39 1.747 8.977 9.651 1.00 2.12 C ATOM 586 CE LYS A 39 1.157 9.096 11.056 1.00 3.84 C ATOM 587 NZ LYS A 39 2.162 8.687 12.075 1.00 3.84 N ATOM 0 H LYS A 39 1.486 11.702 5.811 1.00 0.58 H new ATOM 0 HA LYS A 39 0.329 9.023 5.506 1.00 0.59 H new ATOM 0 HB2 LYS A 39 2.032 8.804 7.030 1.00 0.67 H new ATOM 0 HB3 LYS A 39 2.057 10.521 7.380 1.00 0.67 H new ATOM 0 HG2 LYS A 39 0.171 10.288 8.956 1.00 2.25 H new ATOM 0 HG3 LYS A 39 -0.054 8.609 8.508 1.00 2.25 H new ATOM 0 HD2 LYS A 39 2.068 7.952 9.465 1.00 2.12 H new ATOM 0 HD3 LYS A 39 2.630 9.609 9.561 1.00 2.12 H new ATOM 0 HE2 LYS A 39 0.841 10.123 11.239 1.00 3.84 H new ATOM 0 HE3 LYS A 39 0.269 8.469 11.139 1.00 3.84 H new ATOM 0 HZ1 LYS A 39 1.748 8.773 13.025 1.00 3.84 H new ATOM 0 HZ2 LYS A 39 2.444 7.700 11.908 1.00 3.84 H new ATOM 0 HZ3 LYS A 39 2.998 9.302 12.005 1.00 3.84 H new ATOM 601 N PRO A 40 -1.338 11.327 7.190 1.00 0.62 N ATOM 602 CA PRO A 40 -2.668 11.599 7.747 1.00 0.61 C ATOM 603 C PRO A 40 -3.736 11.453 6.659 1.00 0.52 C ATOM 604 O PRO A 40 -4.908 11.664 6.900 1.00 0.56 O ATOM 605 CB PRO A 40 -2.607 13.038 8.266 1.00 0.70 C ATOM 606 CG PRO A 40 -1.149 13.543 8.049 1.00 0.78 C ATOM 607 CD PRO A 40 -0.415 12.478 7.216 1.00 0.73 C ATOM 0 HA PRO A 40 -2.931 10.901 8.542 1.00 0.61 H new ATOM 0 HB2 PRO A 40 -3.317 13.670 7.732 1.00 0.70 H new ATOM 0 HB3 PRO A 40 -2.875 13.078 9.322 1.00 0.70 H new ATOM 0 HG2 PRO A 40 -1.148 14.503 7.533 1.00 0.78 H new ATOM 0 HG3 PRO A 40 -0.649 13.695 9.005 1.00 0.78 H new ATOM 0 HD2 PRO A 40 -0.202 12.839 6.210 1.00 0.73 H new ATOM 0 HD3 PRO A 40 0.540 12.210 7.667 1.00 0.73 H new ATOM 615 N PHE A 41 -3.295 11.095 5.482 1.00 0.41 N ATOM 616 CA PHE A 41 -4.249 10.914 4.351 1.00 0.32 C ATOM 617 C PHE A 41 -4.455 9.421 4.068 1.00 0.25 C ATOM 618 O PHE A 41 -5.567 8.938 4.061 1.00 0.26 O ATOM 619 CB PHE A 41 -3.672 11.589 3.113 1.00 0.27 C ATOM 620 CG PHE A 41 -3.836 13.105 3.241 1.00 0.40 C ATOM 621 CD1 PHE A 41 -5.001 13.723 2.820 1.00 0.52 C ATOM 622 CD2 PHE A 41 -2.823 13.878 3.777 1.00 0.48 C ATOM 623 CE1 PHE A 41 -5.149 15.090 2.934 1.00 0.64 C ATOM 624 CE2 PHE A 41 -2.972 15.246 3.890 1.00 0.63 C ATOM 625 CZ PHE A 41 -4.133 15.850 3.469 1.00 0.68 C ATOM 0 H PHE A 41 -2.316 10.920 5.256 1.00 0.41 H new ATOM 0 HA PHE A 41 -5.210 11.359 4.610 1.00 0.32 H new ATOM 0 HB2 PHE A 41 -2.618 11.334 3.003 1.00 0.27 H new ATOM 0 HB3 PHE A 41 -4.182 11.231 2.219 1.00 0.27 H new ATOM 0 HD1 PHE A 41 -5.800 13.131 2.399 1.00 0.52 H new ATOM 0 HD2 PHE A 41 -1.909 13.409 4.110 1.00 0.48 H new ATOM 0 HE1 PHE A 41 -6.062 15.564 2.604 1.00 0.64 H new ATOM 0 HE2 PHE A 41 -2.175 15.842 4.310 1.00 0.63 H new ATOM 0 HZ PHE A 41 -4.248 16.920 3.558 1.00 0.68 H new ATOM 635 N PHE A 42 -3.370 8.725 3.840 1.00 0.23 N ATOM 636 CA PHE A 42 -3.476 7.259 3.552 1.00 0.17 C ATOM 637 C PHE A 42 -3.633 6.471 4.854 1.00 0.17 C ATOM 638 O PHE A 42 -4.286 5.448 4.892 1.00 0.19 O ATOM 639 CB PHE A 42 -2.201 6.794 2.844 1.00 0.20 C ATOM 640 CG PHE A 42 -2.300 5.293 2.554 1.00 0.16 C ATOM 641 CD1 PHE A 42 -3.155 4.828 1.570 1.00 0.16 C ATOM 642 CD2 PHE A 42 -1.538 4.375 3.270 1.00 0.14 C ATOM 643 CE1 PHE A 42 -3.248 3.478 1.306 1.00 0.15 C ATOM 644 CE2 PHE A 42 -1.637 3.027 3.002 1.00 0.12 C ATOM 645 CZ PHE A 42 -2.490 2.579 2.022 1.00 0.14 C ATOM 0 H PHE A 42 -2.422 9.103 3.840 1.00 0.23 H new ATOM 0 HA PHE A 42 -4.347 7.085 2.920 1.00 0.17 H new ATOM 0 HB2 PHE A 42 -2.065 7.347 1.915 1.00 0.20 H new ATOM 0 HB3 PHE A 42 -1.330 6.999 3.467 1.00 0.20 H new ATOM 0 HD1 PHE A 42 -3.753 5.527 1.005 1.00 0.16 H new ATOM 0 HD2 PHE A 42 -0.865 4.721 4.040 1.00 0.14 H new ATOM 0 HE1 PHE A 42 -3.917 3.125 0.535 1.00 0.15 H new ATOM 0 HE2 PHE A 42 -1.043 2.321 3.563 1.00 0.12 H new ATOM 0 HZ PHE A 42 -2.566 1.522 1.814 1.00 0.14 H new ATOM 655 N HIS A 43 -3.029 6.970 5.889 1.00 0.16 N ATOM 656 CA HIS A 43 -3.107 6.263 7.198 1.00 0.15 C ATOM 657 C HIS A 43 -4.433 6.581 7.903 1.00 0.17 C ATOM 658 O HIS A 43 -4.767 5.979 8.903 1.00 0.28 O ATOM 659 CB HIS A 43 -1.945 6.732 8.065 1.00 0.14 C ATOM 660 CG HIS A 43 -1.741 5.759 9.220 1.00 0.11 C ATOM 661 ND1 HIS A 43 -2.570 4.895 9.585 1.00 0.09 N ATOM 662 CD2 HIS A 43 -0.656 5.610 10.068 1.00 0.10 C ATOM 663 CE1 HIS A 43 -2.131 4.217 10.564 1.00 0.06 C ATOM 664 NE2 HIS A 43 -0.912 4.604 10.943 1.00 0.07 N ATOM 0 H HIS A 43 -2.486 7.833 5.890 1.00 0.16 H new ATOM 0 HA HIS A 43 -3.054 5.187 7.035 1.00 0.15 H new ATOM 0 HB2 HIS A 43 -1.036 6.798 7.467 1.00 0.14 H new ATOM 0 HB3 HIS A 43 -2.146 7.732 8.450 1.00 0.14 H new ATOM 0 HD1 HIS A 43 -3.482 4.754 9.151 1.00 0.09 H new ATOM 0 HD2 HIS A 43 0.248 6.199 10.038 1.00 0.10 H new ATOM 0 HE1 HIS A 43 -2.682 3.417 11.037 1.00 0.06 H new ATOM 672 N SER A 44 -5.160 7.523 7.365 1.00 0.12 N ATOM 673 CA SER A 44 -6.463 7.894 7.999 1.00 0.13 C ATOM 674 C SER A 44 -7.595 7.016 7.456 1.00 0.15 C ATOM 675 O SER A 44 -8.646 6.911 8.059 1.00 0.21 O ATOM 676 CB SER A 44 -6.767 9.359 7.699 1.00 0.16 C ATOM 677 OG SER A 44 -6.349 10.048 8.867 1.00 1.36 O ATOM 0 H SER A 44 -4.915 8.047 6.525 1.00 0.12 H new ATOM 0 HA SER A 44 -6.389 7.741 9.076 1.00 0.13 H new ATOM 0 HB2 SER A 44 -6.227 9.705 6.818 1.00 0.16 H new ATOM 0 HB3 SER A 44 -7.828 9.514 7.504 1.00 0.16 H new ATOM 0 HG SER A 44 -5.753 10.785 8.617 1.00 1.36 H new ATOM 683 N LEU A 45 -7.358 6.408 6.332 1.00 0.15 N ATOM 684 CA LEU A 45 -8.411 5.531 5.734 1.00 0.15 C ATOM 685 C LEU A 45 -8.501 4.224 6.520 1.00 0.04 C ATOM 686 O LEU A 45 -9.377 3.412 6.289 1.00 0.07 O ATOM 687 CB LEU A 45 -8.042 5.225 4.286 1.00 0.24 C ATOM 688 CG LEU A 45 -7.630 6.521 3.589 1.00 0.25 C ATOM 689 CD1 LEU A 45 -7.383 6.239 2.107 1.00 0.48 C ATOM 690 CD2 LEU A 45 -8.756 7.546 3.726 1.00 0.53 C ATOM 0 H LEU A 45 -6.490 6.475 5.801 1.00 0.15 H new ATOM 0 HA LEU A 45 -9.374 6.041 5.772 1.00 0.15 H new ATOM 0 HB2 LEU A 45 -7.226 4.503 4.251 1.00 0.24 H new ATOM 0 HB3 LEU A 45 -8.889 4.774 3.770 1.00 0.24 H new ATOM 0 HG LEU A 45 -6.720 6.911 4.045 1.00 0.25 H new ATOM 0 HD11 LEU A 45 -7.089 7.161 1.605 1.00 0.48 H new ATOM 0 HD12 LEU A 45 -6.588 5.500 2.005 1.00 0.48 H new ATOM 0 HD13 LEU A 45 -8.296 5.854 1.653 1.00 0.48 H new ATOM 0 HD21 LEU A 45 -8.467 8.473 3.230 1.00 0.53 H new ATOM 0 HD22 LEU A 45 -9.662 7.155 3.264 1.00 0.53 H new ATOM 0 HD23 LEU A 45 -8.943 7.742 4.782 1.00 0.53 H new ATOM 702 N SER A 46 -7.591 4.053 7.432 1.00 0.05 N ATOM 703 CA SER A 46 -7.589 2.808 8.250 1.00 0.16 C ATOM 704 C SER A 46 -8.892 2.677 9.048 1.00 0.23 C ATOM 705 O SER A 46 -9.310 1.584 9.377 1.00 0.36 O ATOM 706 CB SER A 46 -6.407 2.857 9.211 1.00 0.28 C ATOM 707 OG SER A 46 -5.680 1.676 8.916 1.00 1.56 O ATOM 0 H SER A 46 -6.849 4.718 7.648 1.00 0.05 H new ATOM 0 HA SER A 46 -7.506 1.946 7.587 1.00 0.16 H new ATOM 0 HB2 SER A 46 -5.801 3.749 9.054 1.00 0.28 H new ATOM 0 HB3 SER A 46 -6.737 2.874 10.250 1.00 0.28 H new ATOM 0 HG SER A 46 -6.305 0.934 8.775 1.00 1.56 H new ATOM 713 N GLU A 47 -9.507 3.794 9.339 1.00 0.20 N ATOM 714 CA GLU A 47 -10.780 3.753 10.126 1.00 0.33 C ATOM 715 C GLU A 47 -11.991 3.952 9.208 1.00 0.38 C ATOM 716 O GLU A 47 -12.984 3.260 9.329 1.00 0.51 O ATOM 717 CB GLU A 47 -10.751 4.866 11.171 1.00 0.36 C ATOM 718 CG GLU A 47 -9.714 4.523 12.244 1.00 0.40 C ATOM 719 CD GLU A 47 -10.434 4.069 13.517 1.00 1.01 C ATOM 720 OE1 GLU A 47 -10.749 4.947 14.302 1.00 0.95 O ATOM 721 OE2 GLU A 47 -10.627 2.870 13.631 1.00 2.07 O ATOM 0 H GLU A 47 -9.189 4.725 9.070 1.00 0.20 H new ATOM 0 HA GLU A 47 -10.867 2.780 10.609 1.00 0.33 H new ATOM 0 HB2 GLU A 47 -10.503 5.817 10.700 1.00 0.36 H new ATOM 0 HB3 GLU A 47 -11.736 4.982 11.624 1.00 0.36 H new ATOM 0 HG2 GLU A 47 -9.051 3.735 11.887 1.00 0.40 H new ATOM 0 HG3 GLU A 47 -9.091 5.392 12.455 1.00 0.40 H new ATOM 728 N LYS A 48 -11.886 4.892 8.310 1.00 0.34 N ATOM 729 CA LYS A 48 -13.030 5.150 7.385 1.00 0.46 C ATOM 730 C LYS A 48 -13.314 3.914 6.528 1.00 0.31 C ATOM 731 O LYS A 48 -14.359 3.304 6.641 1.00 0.44 O ATOM 732 CB LYS A 48 -12.689 6.331 6.482 1.00 0.57 C ATOM 733 CG LYS A 48 -13.913 7.255 6.386 1.00 0.94 C ATOM 734 CD LYS A 48 -14.161 7.963 7.733 1.00 2.00 C ATOM 735 CE LYS A 48 -14.601 9.404 7.466 1.00 2.22 C ATOM 736 NZ LYS A 48 -13.430 10.247 7.094 1.00 2.48 N ATOM 0 H LYS A 48 -11.069 5.487 8.175 1.00 0.34 H new ATOM 0 HA LYS A 48 -13.919 5.378 7.974 1.00 0.46 H new ATOM 0 HB2 LYS A 48 -11.835 6.877 6.883 1.00 0.57 H new ATOM 0 HB3 LYS A 48 -12.405 5.978 5.491 1.00 0.57 H new ATOM 0 HG2 LYS A 48 -13.756 7.996 5.602 1.00 0.94 H new ATOM 0 HG3 LYS A 48 -14.793 6.676 6.105 1.00 0.94 H new ATOM 0 HD2 LYS A 48 -14.927 7.435 8.300 1.00 2.00 H new ATOM 0 HD3 LYS A 48 -13.253 7.952 8.336 1.00 2.00 H new ATOM 0 HE2 LYS A 48 -15.339 9.422 6.664 1.00 2.22 H new ATOM 0 HE3 LYS A 48 -15.084 9.813 8.353 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 -13.704 11.250 7.115 1.00 2.48 H new ATOM 0 HZ2 LYS A 48 -12.657 10.085 7.770 1.00 2.48 H new ATOM 0 HZ3 LYS A 48 -13.111 9.995 6.137 1.00 2.48 H new ATOM 750 N TYR A 49 -12.378 3.568 5.691 1.00 0.11 N ATOM 751 CA TYR A 49 -12.581 2.374 4.821 1.00 0.11 C ATOM 752 C TYR A 49 -12.244 1.094 5.595 1.00 0.17 C ATOM 753 O TYR A 49 -11.119 0.638 5.586 1.00 0.23 O ATOM 754 CB TYR A 49 -11.671 2.489 3.601 1.00 0.26 C ATOM 755 CG TYR A 49 -12.334 3.393 2.561 1.00 0.27 C ATOM 756 CD1 TYR A 49 -13.368 2.920 1.779 1.00 0.26 C ATOM 757 CD2 TYR A 49 -11.908 4.695 2.391 1.00 0.29 C ATOM 758 CE1 TYR A 49 -13.966 3.736 0.840 1.00 0.27 C ATOM 759 CE2 TYR A 49 -12.506 5.510 1.452 1.00 0.31 C ATOM 760 CZ TYR A 49 -13.540 5.037 0.670 1.00 0.29 C ATOM 761 OH TYR A 49 -14.140 5.853 -0.266 1.00 0.31 O ATOM 0 H TYR A 49 -11.489 4.053 5.571 1.00 0.11 H new ATOM 0 HA TYR A 49 -13.623 2.329 4.505 1.00 0.11 H new ATOM 0 HB2 TYR A 49 -10.703 2.898 3.892 1.00 0.26 H new ATOM 0 HB3 TYR A 49 -11.485 1.502 3.177 1.00 0.26 H new ATOM 0 HD1 TYR A 49 -13.712 1.904 1.903 1.00 0.26 H new ATOM 0 HD2 TYR A 49 -11.101 5.078 2.997 1.00 0.29 H new ATOM 0 HE1 TYR A 49 -14.774 3.353 0.234 1.00 0.27 H new ATOM 0 HE2 TYR A 49 -12.162 6.526 1.328 1.00 0.31 H new ATOM 0 HH TYR A 49 -13.715 6.736 -0.250 1.00 0.31 H new ATOM 771 N SER A 50 -13.228 0.543 6.253 1.00 0.18 N ATOM 772 CA SER A 50 -12.979 -0.705 7.033 1.00 0.27 C ATOM 773 C SER A 50 -13.157 -1.932 6.139 1.00 0.33 C ATOM 774 O SER A 50 -12.674 -3.004 6.443 1.00 0.58 O ATOM 775 CB SER A 50 -13.962 -0.774 8.199 1.00 0.32 C ATOM 776 OG SER A 50 -15.238 -0.679 7.582 1.00 0.22 O ATOM 0 H SER A 50 -14.184 0.898 6.285 1.00 0.18 H new ATOM 0 HA SER A 50 -11.957 -0.692 7.412 1.00 0.27 H new ATOM 0 HB2 SER A 50 -13.856 -1.706 8.755 1.00 0.32 H new ATOM 0 HB3 SER A 50 -13.800 0.039 8.906 1.00 0.32 H new ATOM 0 HG SER A 50 -15.937 -0.717 8.268 1.00 0.22 H new ATOM 782 N ASN A 51 -13.848 -1.745 5.055 1.00 0.14 N ATOM 783 CA ASN A 51 -14.071 -2.887 4.121 1.00 0.20 C ATOM 784 C ASN A 51 -12.824 -3.112 3.264 1.00 0.14 C ATOM 785 O ASN A 51 -12.677 -4.142 2.636 1.00 0.31 O ATOM 786 CB ASN A 51 -15.261 -2.570 3.217 1.00 0.29 C ATOM 787 CG ASN A 51 -15.543 -3.771 2.311 1.00 0.60 C ATOM 788 OD1 ASN A 51 -15.446 -3.686 1.102 1.00 1.79 O ATOM 789 ND2 ASN A 51 -15.896 -4.903 2.852 1.00 0.59 N ATOM 0 H ASN A 51 -14.267 -0.859 4.772 1.00 0.14 H new ATOM 0 HA ASN A 51 -14.274 -3.790 4.696 1.00 0.20 H new ATOM 0 HB2 ASN A 51 -16.140 -2.341 3.820 1.00 0.29 H new ATOM 0 HB3 ASN A 51 -15.049 -1.687 2.614 1.00 0.29 H new ATOM 0 HD21 ASN A 51 -16.089 -5.712 2.262 1.00 0.59 H new ATOM 0 HD22 ASN A 51 -15.979 -4.980 3.866 1.00 0.59 H new ATOM 796 N VAL A 52 -11.954 -2.133 3.260 1.00 0.37 N ATOM 797 CA VAL A 52 -10.700 -2.251 2.451 1.00 0.36 C ATOM 798 C VAL A 52 -9.488 -2.391 3.378 1.00 0.36 C ATOM 799 O VAL A 52 -9.422 -1.755 4.412 1.00 0.49 O ATOM 800 CB VAL A 52 -10.542 -0.984 1.603 1.00 0.36 C ATOM 801 CG1 VAL A 52 -9.513 -1.221 0.491 1.00 0.43 C ATOM 802 CG2 VAL A 52 -11.891 -0.627 0.974 1.00 0.40 C ATOM 0 H VAL A 52 -12.056 -1.261 3.779 1.00 0.37 H new ATOM 0 HA VAL A 52 -10.761 -3.131 1.811 1.00 0.36 H new ATOM 0 HB VAL A 52 -10.200 -0.168 2.239 1.00 0.36 H new ATOM 0 HG11 VAL A 52 -9.408 -0.315 -0.106 1.00 0.43 H new ATOM 0 HG12 VAL A 52 -8.551 -1.477 0.934 1.00 0.43 H new ATOM 0 HG13 VAL A 52 -9.848 -2.039 -0.147 1.00 0.43 H new ATOM 0 HG21 VAL A 52 -11.784 0.274 0.370 1.00 0.40 H new ATOM 0 HG22 VAL A 52 -12.227 -1.450 0.343 1.00 0.40 H new ATOM 0 HG23 VAL A 52 -12.624 -0.451 1.761 1.00 0.40 H new ATOM 812 N ILE A 53 -8.556 -3.218 2.992 1.00 0.23 N ATOM 813 CA ILE A 53 -7.341 -3.398 3.842 1.00 0.28 C ATOM 814 C ILE A 53 -6.218 -2.491 3.332 1.00 0.25 C ATOM 815 O ILE A 53 -6.085 -2.276 2.141 1.00 0.23 O ATOM 816 CB ILE A 53 -6.899 -4.863 3.798 1.00 0.30 C ATOM 817 CG1 ILE A 53 -8.093 -5.756 4.177 1.00 0.35 C ATOM 818 CG2 ILE A 53 -5.751 -5.077 4.800 1.00 0.53 C ATOM 819 CD1 ILE A 53 -7.726 -7.220 3.935 1.00 0.96 C ATOM 0 H ILE A 53 -8.580 -3.772 2.136 1.00 0.23 H new ATOM 0 HA ILE A 53 -7.572 -3.128 4.872 1.00 0.28 H new ATOM 0 HB ILE A 53 -6.554 -5.120 2.796 1.00 0.30 H new ATOM 0 HG12 ILE A 53 -8.358 -5.604 5.223 1.00 0.35 H new ATOM 0 HG13 ILE A 53 -8.967 -5.485 3.584 1.00 0.35 H new ATOM 0 HG21 ILE A 53 -5.433 -6.119 4.772 1.00 0.53 H new ATOM 0 HG22 ILE A 53 -4.912 -4.434 4.534 1.00 0.53 H new ATOM 0 HG23 ILE A 53 -6.094 -4.829 5.805 1.00 0.53 H new ATOM 0 HD11 ILE A 53 -8.570 -7.856 4.203 1.00 0.96 H new ATOM 0 HD12 ILE A 53 -7.482 -7.365 2.883 1.00 0.96 H new ATOM 0 HD13 ILE A 53 -6.864 -7.485 4.547 1.00 0.96 H new ATOM 831 N PHE A 54 -5.433 -1.986 4.249 1.00 0.24 N ATOM 832 CA PHE A 54 -4.328 -1.060 3.856 1.00 0.23 C ATOM 833 C PHE A 54 -2.982 -1.533 4.414 1.00 0.21 C ATOM 834 O PHE A 54 -2.865 -1.829 5.583 1.00 0.29 O ATOM 835 CB PHE A 54 -4.645 0.315 4.428 1.00 0.22 C ATOM 836 CG PHE A 54 -5.911 0.851 3.752 1.00 0.25 C ATOM 837 CD1 PHE A 54 -5.843 1.486 2.525 1.00 0.22 C ATOM 838 CD2 PHE A 54 -7.142 0.705 4.364 1.00 0.33 C ATOM 839 CE1 PHE A 54 -6.986 1.967 1.922 1.00 0.28 C ATOM 840 CE2 PHE A 54 -8.285 1.187 3.759 1.00 0.38 C ATOM 841 CZ PHE A 54 -8.205 1.818 2.538 1.00 0.35 C ATOM 0 H PHE A 54 -5.509 -2.174 5.249 1.00 0.24 H new ATOM 0 HA PHE A 54 -4.253 -1.032 2.769 1.00 0.23 H new ATOM 0 HB2 PHE A 54 -4.791 0.251 5.506 1.00 0.22 H new ATOM 0 HB3 PHE A 54 -3.810 0.995 4.260 1.00 0.22 H new ATOM 0 HD1 PHE A 54 -4.888 1.606 2.036 1.00 0.22 H new ATOM 0 HD2 PHE A 54 -7.210 0.211 5.322 1.00 0.33 H new ATOM 0 HE1 PHE A 54 -6.923 2.462 0.964 1.00 0.28 H new ATOM 0 HE2 PHE A 54 -9.243 1.069 4.244 1.00 0.38 H new ATOM 0 HZ PHE A 54 -9.099 2.195 2.065 1.00 0.35 H new ATOM 851 N LEU A 55 -1.998 -1.609 3.550 1.00 0.14 N ATOM 852 CA LEU A 55 -0.638 -2.030 4.007 1.00 0.13 C ATOM 853 C LEU A 55 0.320 -0.836 3.931 1.00 0.19 C ATOM 854 O LEU A 55 -0.018 0.212 3.415 1.00 0.43 O ATOM 855 CB LEU A 55 -0.097 -3.141 3.107 1.00 0.20 C ATOM 856 CG LEU A 55 -0.764 -4.485 3.434 1.00 0.43 C ATOM 857 CD1 LEU A 55 -2.275 -4.390 3.242 1.00 1.06 C ATOM 858 CD2 LEU A 55 -0.221 -5.542 2.475 1.00 0.33 C ATOM 0 H LEU A 55 -2.078 -1.399 2.555 1.00 0.14 H new ATOM 0 HA LEU A 55 -0.713 -2.393 5.032 1.00 0.13 H new ATOM 0 HB2 LEU A 55 -0.275 -2.887 2.062 1.00 0.20 H new ATOM 0 HB3 LEU A 55 0.982 -3.225 3.235 1.00 0.20 H new ATOM 0 HG LEU A 55 -0.550 -4.748 4.470 1.00 0.43 H new ATOM 0 HD11 LEU A 55 -2.733 -5.351 3.478 1.00 1.06 H new ATOM 0 HD12 LEU A 55 -2.678 -3.624 3.904 1.00 1.06 H new ATOM 0 HD13 LEU A 55 -2.494 -4.128 2.207 1.00 1.06 H new ATOM 0 HD21 LEU A 55 -0.685 -6.504 2.693 1.00 0.33 H new ATOM 0 HD22 LEU A 55 -0.449 -5.254 1.449 1.00 0.33 H new ATOM 0 HD23 LEU A 55 0.859 -5.624 2.597 1.00 0.33 H new ATOM 870 N GLU A 56 1.501 -1.039 4.419 1.00 0.10 N ATOM 871 CA GLU A 56 2.511 0.063 4.405 1.00 0.08 C ATOM 872 C GLU A 56 3.919 -0.539 4.375 1.00 0.09 C ATOM 873 O GLU A 56 4.389 -1.062 5.367 1.00 0.13 O ATOM 874 CB GLU A 56 2.345 0.907 5.665 1.00 0.18 C ATOM 875 CG GLU A 56 3.314 2.089 5.609 1.00 0.25 C ATOM 876 CD GLU A 56 2.522 3.396 5.671 1.00 1.25 C ATOM 877 OE1 GLU A 56 1.918 3.613 6.709 1.00 1.69 O ATOM 878 OE2 GLU A 56 2.567 4.104 4.680 1.00 2.33 O ATOM 0 H GLU A 56 1.820 -1.917 4.829 1.00 0.10 H new ATOM 0 HA GLU A 56 2.365 0.687 3.523 1.00 0.08 H new ATOM 0 HB2 GLU A 56 1.319 1.266 5.744 1.00 0.18 H new ATOM 0 HB3 GLU A 56 2.541 0.302 6.551 1.00 0.18 H new ATOM 0 HG2 GLU A 56 4.017 2.037 6.440 1.00 0.25 H new ATOM 0 HG3 GLU A 56 3.901 2.049 4.692 1.00 0.25 H new ATOM 885 N VAL A 57 4.562 -0.452 3.242 1.00 0.09 N ATOM 886 CA VAL A 57 5.935 -1.038 3.131 1.00 0.11 C ATOM 887 C VAL A 57 7.007 0.046 3.261 1.00 0.12 C ATOM 888 O VAL A 57 6.818 1.168 2.833 1.00 0.25 O ATOM 889 CB VAL A 57 6.077 -1.721 1.773 1.00 0.11 C ATOM 890 CG1 VAL A 57 7.499 -2.267 1.631 1.00 0.15 C ATOM 891 CG2 VAL A 57 5.084 -2.879 1.690 1.00 0.11 C ATOM 0 H VAL A 57 4.204 -0.007 2.397 1.00 0.09 H new ATOM 0 HA VAL A 57 6.071 -1.759 3.937 1.00 0.11 H new ATOM 0 HB VAL A 57 5.877 -1.005 0.976 1.00 0.11 H new ATOM 0 HG11 VAL A 57 7.606 -2.756 0.663 1.00 0.15 H new ATOM 0 HG12 VAL A 57 8.213 -1.446 1.704 1.00 0.15 H new ATOM 0 HG13 VAL A 57 7.693 -2.988 2.425 1.00 0.15 H new ATOM 0 HG21 VAL A 57 5.180 -3.372 0.722 1.00 0.11 H new ATOM 0 HG22 VAL A 57 5.293 -3.595 2.484 1.00 0.11 H new ATOM 0 HG23 VAL A 57 4.069 -2.497 1.804 1.00 0.11 H new ATOM 901 N ASP A 58 8.113 -0.323 3.855 1.00 0.03 N ATOM 902 CA ASP A 58 9.228 0.650 4.024 1.00 0.05 C ATOM 903 C ASP A 58 10.359 0.315 3.047 1.00 0.06 C ATOM 904 O ASP A 58 10.919 -0.763 3.091 1.00 0.14 O ATOM 905 CB ASP A 58 9.750 0.551 5.456 1.00 0.05 C ATOM 906 CG ASP A 58 10.710 1.711 5.736 1.00 0.06 C ATOM 907 OD1 ASP A 58 10.642 2.669 4.983 1.00 1.24 O ATOM 908 OD2 ASP A 58 11.459 1.574 6.690 1.00 1.14 O ATOM 0 H ASP A 58 8.290 -1.255 4.229 1.00 0.03 H new ATOM 0 HA ASP A 58 8.871 1.660 3.823 1.00 0.05 H new ATOM 0 HB2 ASP A 58 8.918 0.577 6.159 1.00 0.05 H new ATOM 0 HB3 ASP A 58 10.261 -0.400 5.602 1.00 0.05 H new ATOM 913 N VAL A 59 10.671 1.239 2.181 1.00 0.12 N ATOM 914 CA VAL A 59 11.762 0.976 1.197 1.00 0.13 C ATOM 915 C VAL A 59 13.132 1.125 1.870 1.00 0.14 C ATOM 916 O VAL A 59 14.017 1.774 1.348 1.00 0.56 O ATOM 917 CB VAL A 59 11.651 1.966 0.040 1.00 0.12 C ATOM 918 CG1 VAL A 59 10.356 1.696 -0.732 1.00 0.11 C ATOM 919 CG2 VAL A 59 11.620 3.394 0.594 1.00 0.10 C ATOM 0 H VAL A 59 10.225 2.154 2.111 1.00 0.12 H new ATOM 0 HA VAL A 59 11.663 -0.042 0.821 1.00 0.13 H new ATOM 0 HB VAL A 59 12.507 1.850 -0.624 1.00 0.12 H new ATOM 0 HG11 VAL A 59 10.272 2.401 -1.559 1.00 0.11 H new ATOM 0 HG12 VAL A 59 10.370 0.678 -1.122 1.00 0.11 H new ATOM 0 HG13 VAL A 59 9.503 1.817 -0.065 1.00 0.11 H new ATOM 0 HG21 VAL A 59 11.541 4.103 -0.231 1.00 0.10 H new ATOM 0 HG22 VAL A 59 10.761 3.509 1.255 1.00 0.10 H new ATOM 0 HG23 VAL A 59 12.536 3.588 1.152 1.00 0.10 H new ATOM 929 N ASP A 60 13.274 0.518 3.017 1.00 0.38 N ATOM 930 CA ASP A 60 14.576 0.604 3.742 1.00 0.40 C ATOM 931 C ASP A 60 14.882 -0.736 4.414 1.00 0.36 C ATOM 932 O ASP A 60 15.995 -1.221 4.359 1.00 0.42 O ATOM 933 CB ASP A 60 14.487 1.699 4.802 1.00 0.37 C ATOM 934 CG ASP A 60 15.591 1.489 5.840 1.00 0.87 C ATOM 935 OD1 ASP A 60 16.738 1.587 5.439 1.00 0.93 O ATOM 936 OD2 ASP A 60 15.224 1.242 6.978 1.00 2.21 O ATOM 0 H ASP A 60 12.551 -0.031 3.482 1.00 0.38 H new ATOM 0 HA ASP A 60 15.372 0.840 3.036 1.00 0.40 H new ATOM 0 HB2 ASP A 60 14.590 2.680 4.338 1.00 0.37 H new ATOM 0 HB3 ASP A 60 13.510 1.676 5.284 1.00 0.37 H new ATOM 941 N ASP A 61 13.880 -1.301 5.034 1.00 0.32 N ATOM 942 CA ASP A 61 14.072 -2.614 5.718 1.00 0.33 C ATOM 943 C ASP A 61 13.409 -3.728 4.900 1.00 0.33 C ATOM 944 O ASP A 61 13.596 -4.898 5.175 1.00 0.43 O ATOM 945 CB ASP A 61 13.436 -2.545 7.108 1.00 0.29 C ATOM 946 CG ASP A 61 12.885 -3.922 7.487 1.00 0.95 C ATOM 947 OD1 ASP A 61 13.707 -4.771 7.790 1.00 0.78 O ATOM 948 OD2 ASP A 61 11.671 -4.048 7.453 1.00 1.95 O ATOM 0 H ASP A 61 12.939 -0.912 5.097 1.00 0.32 H new ATOM 0 HA ASP A 61 15.137 -2.830 5.809 1.00 0.33 H new ATOM 0 HB2 ASP A 61 14.175 -2.223 7.842 1.00 0.29 H new ATOM 0 HB3 ASP A 61 12.635 -1.806 7.117 1.00 0.29 H new ATOM 953 N CYS A 62 12.653 -3.332 3.901 1.00 0.27 N ATOM 954 CA CYS A 62 11.960 -4.347 3.044 1.00 0.26 C ATOM 955 C CYS A 62 12.278 -4.099 1.568 1.00 0.25 C ATOM 956 O CYS A 62 11.482 -4.398 0.700 1.00 0.35 O ATOM 957 CB CYS A 62 10.454 -4.238 3.262 1.00 0.25 C ATOM 958 SG CYS A 62 9.890 -3.428 4.778 1.00 0.25 S ATOM 0 H CYS A 62 12.487 -2.359 3.644 1.00 0.27 H new ATOM 0 HA CYS A 62 12.307 -5.344 3.317 1.00 0.26 H new ATOM 0 HB2 CYS A 62 10.029 -3.700 2.414 1.00 0.25 H new ATOM 0 HB3 CYS A 62 10.037 -5.245 3.243 1.00 0.25 H new ATOM 0 HG CYS A 62 10.687 -3.737 5.757 1.00 0.25 H new ATOM 964 N GLN A 63 13.436 -3.557 1.311 1.00 0.17 N ATOM 965 CA GLN A 63 13.816 -3.285 -0.102 1.00 0.19 C ATOM 966 C GLN A 63 13.551 -4.522 -0.957 1.00 0.23 C ATOM 967 O GLN A 63 13.474 -4.443 -2.167 1.00 0.30 O ATOM 968 CB GLN A 63 15.298 -2.928 -0.166 1.00 0.20 C ATOM 969 CG GLN A 63 15.682 -2.149 1.094 1.00 0.54 C ATOM 970 CD GLN A 63 17.013 -1.430 0.858 1.00 0.83 C ATOM 971 OE1 GLN A 63 17.654 -1.606 -0.159 1.00 0.89 O ATOM 972 NE2 GLN A 63 17.461 -0.613 1.771 1.00 1.86 N ATOM 0 H GLN A 63 14.129 -3.293 2.011 1.00 0.17 H new ATOM 0 HA GLN A 63 13.222 -2.454 -0.483 1.00 0.19 H new ATOM 0 HB2 GLN A 63 15.899 -3.834 -0.246 1.00 0.20 H new ATOM 0 HB3 GLN A 63 15.502 -2.330 -1.054 1.00 0.20 H new ATOM 0 HG2 GLN A 63 14.904 -1.427 1.340 1.00 0.54 H new ATOM 0 HG3 GLN A 63 15.767 -2.827 1.943 1.00 0.54 H new ATOM 0 HE21 GLN A 63 16.927 -0.462 2.627 1.00 1.86 H new ATOM 0 HE22 GLN A 63 18.346 -0.125 1.629 1.00 1.86 H new ATOM 981 N ASP A 64 13.415 -5.637 -0.305 1.00 0.20 N ATOM 982 CA ASP A 64 13.152 -6.895 -1.051 1.00 0.23 C ATOM 983 C ASP A 64 11.781 -6.832 -1.710 1.00 0.23 C ATOM 984 O ASP A 64 11.631 -7.119 -2.882 1.00 0.28 O ATOM 985 CB ASP A 64 13.199 -8.074 -0.081 1.00 0.26 C ATOM 986 CG ASP A 64 12.628 -7.644 1.270 1.00 0.10 C ATOM 987 OD1 ASP A 64 13.333 -6.916 1.945 1.00 0.91 O ATOM 988 OD2 ASP A 64 11.521 -8.071 1.552 1.00 0.66 O ATOM 0 H ASP A 64 13.474 -5.733 0.709 1.00 0.20 H new ATOM 0 HA ASP A 64 13.911 -7.022 -1.823 1.00 0.23 H new ATOM 0 HB2 ASP A 64 12.626 -8.911 -0.481 1.00 0.26 H new ATOM 0 HB3 ASP A 64 14.226 -8.419 0.039 1.00 0.26 H new ATOM 993 N VAL A 65 10.811 -6.459 -0.937 1.00 0.20 N ATOM 994 CA VAL A 65 9.433 -6.360 -1.478 1.00 0.21 C ATOM 995 C VAL A 65 9.358 -5.261 -2.532 1.00 0.19 C ATOM 996 O VAL A 65 8.789 -5.445 -3.589 1.00 0.17 O ATOM 997 CB VAL A 65 8.478 -6.046 -0.343 1.00 0.20 C ATOM 998 CG1 VAL A 65 7.043 -6.335 -0.795 1.00 0.20 C ATOM 999 CG2 VAL A 65 8.821 -6.929 0.858 1.00 0.19 C ATOM 0 H VAL A 65 10.910 -6.217 0.049 1.00 0.20 H new ATOM 0 HA VAL A 65 9.158 -7.307 -1.942 1.00 0.21 H new ATOM 0 HB VAL A 65 8.567 -4.996 -0.064 1.00 0.20 H new ATOM 0 HG11 VAL A 65 6.353 -6.110 0.018 1.00 0.20 H new ATOM 0 HG12 VAL A 65 6.801 -5.714 -1.658 1.00 0.20 H new ATOM 0 HG13 VAL A 65 6.952 -7.386 -1.068 1.00 0.20 H new ATOM 0 HG21 VAL A 65 8.138 -6.709 1.678 1.00 0.19 H new ATOM 0 HG22 VAL A 65 8.725 -7.978 0.578 1.00 0.19 H new ATOM 0 HG23 VAL A 65 9.845 -6.731 1.175 1.00 0.19 H new ATOM 1009 N ALA A 66 9.937 -4.145 -2.221 1.00 0.23 N ATOM 1010 CA ALA A 66 9.920 -3.020 -3.190 1.00 0.22 C ATOM 1011 C ALA A 66 10.554 -3.468 -4.500 1.00 0.24 C ATOM 1012 O ALA A 66 10.011 -3.259 -5.566 1.00 0.27 O ATOM 1013 CB ALA A 66 10.708 -1.846 -2.613 1.00 0.20 C ATOM 0 H ALA A 66 10.420 -3.960 -1.342 1.00 0.23 H new ATOM 0 HA ALA A 66 8.891 -2.711 -3.375 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.698 -1.018 -3.322 1.00 0.20 H new ATOM 0 HB2 ALA A 66 10.252 -1.527 -1.676 1.00 0.20 H new ATOM 0 HB3 ALA A 66 11.737 -2.154 -2.429 1.00 0.20 H new ATOM 1019 N SER A 67 11.690 -4.078 -4.385 1.00 0.23 N ATOM 1020 CA SER A 67 12.388 -4.563 -5.600 1.00 0.25 C ATOM 1021 C SER A 67 11.505 -5.572 -6.331 1.00 0.31 C ATOM 1022 O SER A 67 11.711 -5.863 -7.493 1.00 0.39 O ATOM 1023 CB SER A 67 13.701 -5.229 -5.194 1.00 0.28 C ATOM 1024 OG SER A 67 14.325 -5.551 -6.428 1.00 1.04 O ATOM 0 H SER A 67 12.168 -4.263 -3.503 1.00 0.23 H new ATOM 0 HA SER A 67 12.595 -3.722 -6.262 1.00 0.25 H new ATOM 0 HB2 SER A 67 14.320 -4.558 -4.598 1.00 0.28 H new ATOM 0 HB3 SER A 67 13.526 -6.121 -4.592 1.00 0.28 H new ATOM 0 HG SER A 67 15.186 -5.986 -6.255 1.00 1.04 H new ATOM 1030 N GLU A 68 10.537 -6.084 -5.626 1.00 0.28 N ATOM 1031 CA GLU A 68 9.618 -7.067 -6.245 1.00 0.33 C ATOM 1032 C GLU A 68 8.710 -6.361 -7.240 1.00 0.30 C ATOM 1033 O GLU A 68 8.440 -6.860 -8.314 1.00 0.29 O ATOM 1034 CB GLU A 68 8.775 -7.721 -5.152 1.00 0.44 C ATOM 1035 CG GLU A 68 8.367 -9.120 -5.605 1.00 0.33 C ATOM 1036 CD GLU A 68 7.608 -9.021 -6.929 1.00 1.62 C ATOM 1037 OE1 GLU A 68 6.482 -8.552 -6.875 1.00 2.41 O ATOM 1038 OE2 GLU A 68 8.196 -9.418 -7.922 1.00 2.52 O ATOM 0 H GLU A 68 10.345 -5.862 -4.649 1.00 0.28 H new ATOM 0 HA GLU A 68 10.194 -7.830 -6.768 1.00 0.33 H new ATOM 0 HB2 GLU A 68 9.342 -7.777 -4.223 1.00 0.44 H new ATOM 0 HB3 GLU A 68 7.890 -7.118 -4.949 1.00 0.44 H new ATOM 0 HG2 GLU A 68 9.250 -9.748 -5.725 1.00 0.33 H new ATOM 0 HG3 GLU A 68 7.741 -9.592 -4.848 1.00 0.33 H new ATOM 1045 N CYS A 69 8.258 -5.211 -6.853 1.00 0.32 N ATOM 1046 CA CYS A 69 7.373 -4.427 -7.753 1.00 0.29 C ATOM 1047 C CYS A 69 8.230 -3.628 -8.733 1.00 0.20 C ATOM 1048 O CYS A 69 7.723 -2.958 -9.611 1.00 0.21 O ATOM 1049 CB CYS A 69 6.527 -3.472 -6.912 1.00 0.32 C ATOM 1050 SG CYS A 69 5.127 -4.180 -6.009 1.00 0.48 S ATOM 0 H CYS A 69 8.461 -4.776 -5.953 1.00 0.32 H new ATOM 0 HA CYS A 69 6.720 -5.099 -8.310 1.00 0.29 H new ATOM 0 HB2 CYS A 69 7.183 -2.986 -6.190 1.00 0.32 H new ATOM 0 HB3 CYS A 69 6.144 -2.692 -7.570 1.00 0.32 H new ATOM 0 HG CYS A 69 4.019 -3.871 -6.615 1.00 0.48 H new ATOM 1056 N GLU A 70 9.520 -3.721 -8.557 1.00 0.16 N ATOM 1057 CA GLU A 70 10.445 -2.980 -9.457 1.00 0.09 C ATOM 1058 C GLU A 70 10.158 -1.481 -9.392 1.00 0.05 C ATOM 1059 O GLU A 70 10.124 -0.808 -10.402 1.00 0.09 O ATOM 1060 CB GLU A 70 10.261 -3.476 -10.892 1.00 0.07 C ATOM 1061 CG GLU A 70 11.601 -3.398 -11.627 1.00 0.84 C ATOM 1062 CD GLU A 70 12.223 -2.017 -11.403 1.00 2.66 C ATOM 1063 OE1 GLU A 70 11.846 -1.126 -12.147 1.00 3.51 O ATOM 1064 OE2 GLU A 70 13.041 -1.932 -10.501 1.00 3.80 O ATOM 0 H GLU A 70 9.971 -4.277 -7.831 1.00 0.16 H new ATOM 0 HA GLU A 70 11.472 -3.156 -9.136 1.00 0.09 H new ATOM 0 HB2 GLU A 70 9.893 -4.502 -10.890 1.00 0.07 H new ATOM 0 HB3 GLU A 70 9.515 -2.870 -11.406 1.00 0.07 H new ATOM 0 HG2 GLU A 70 12.273 -4.175 -11.264 1.00 0.84 H new ATOM 0 HG3 GLU A 70 11.455 -3.575 -12.693 1.00 0.84 H new ATOM 1071 N VAL A 71 9.957 -0.987 -8.202 1.00 0.10 N ATOM 1072 CA VAL A 71 9.681 0.473 -8.065 1.00 0.07 C ATOM 1073 C VAL A 71 10.988 1.261 -8.144 1.00 0.04 C ATOM 1074 O VAL A 71 12.059 0.714 -7.970 1.00 0.09 O ATOM 1075 CB VAL A 71 9.008 0.743 -6.723 1.00 0.13 C ATOM 1076 CG1 VAL A 71 8.193 2.031 -6.820 1.00 0.29 C ATOM 1077 CG2 VAL A 71 8.072 -0.420 -6.381 1.00 0.55 C ATOM 0 H VAL A 71 9.971 -1.519 -7.332 1.00 0.10 H new ATOM 0 HA VAL A 71 9.022 0.787 -8.875 1.00 0.07 H new ATOM 0 HB VAL A 71 9.767 0.843 -5.947 1.00 0.13 H new ATOM 0 HG11 VAL A 71 7.710 2.229 -5.863 1.00 0.29 H new ATOM 0 HG12 VAL A 71 8.853 2.861 -7.072 1.00 0.29 H new ATOM 0 HG13 VAL A 71 7.434 1.924 -7.595 1.00 0.29 H new ATOM 0 HG21 VAL A 71 7.590 -0.229 -5.422 1.00 0.55 H new ATOM 0 HG22 VAL A 71 7.312 -0.516 -7.157 1.00 0.55 H new ATOM 0 HG23 VAL A 71 8.647 -1.344 -6.320 1.00 0.55 H new ATOM 1087 N LYS A 72 10.871 2.527 -8.406 1.00 0.12 N ATOM 1088 CA LYS A 72 12.092 3.373 -8.498 1.00 0.22 C ATOM 1089 C LYS A 72 11.792 4.776 -7.961 1.00 0.28 C ATOM 1090 O LYS A 72 12.480 5.727 -8.272 1.00 0.29 O ATOM 1091 CB LYS A 72 12.531 3.457 -9.962 1.00 0.23 C ATOM 1092 CG LYS A 72 13.648 2.438 -10.207 1.00 0.76 C ATOM 1093 CD LYS A 72 13.979 2.406 -11.701 1.00 0.86 C ATOM 1094 CE LYS A 72 15.349 1.751 -11.896 1.00 1.37 C ATOM 1095 NZ LYS A 72 15.668 1.638 -13.347 1.00 2.20 N ATOM 0 H LYS A 72 9.988 3.014 -8.560 1.00 0.12 H new ATOM 0 HA LYS A 72 12.891 2.932 -7.902 1.00 0.22 H new ATOM 0 HB2 LYS A 72 11.686 3.255 -10.621 1.00 0.23 H new ATOM 0 HB3 LYS A 72 12.882 4.463 -10.193 1.00 0.23 H new ATOM 0 HG2 LYS A 72 14.534 2.706 -9.631 1.00 0.76 H new ATOM 0 HG3 LYS A 72 13.336 1.450 -9.870 1.00 0.76 H new ATOM 0 HD2 LYS A 72 13.215 1.849 -12.244 1.00 0.86 H new ATOM 0 HD3 LYS A 72 13.985 3.418 -12.107 1.00 0.86 H new ATOM 0 HE2 LYS A 72 16.116 2.340 -11.393 1.00 1.37 H new ATOM 0 HE3 LYS A 72 15.355 0.762 -11.438 1.00 1.37 H new ATOM 0 HZ1 LYS A 72 16.600 1.192 -13.464 1.00 2.20 H new ATOM 0 HZ2 LYS A 72 14.945 1.057 -13.817 1.00 2.20 H new ATOM 0 HZ3 LYS A 72 15.682 2.586 -13.774 1.00 2.20 H new ATOM 1109 N CYS A 73 10.769 4.871 -7.155 1.00 0.35 N ATOM 1110 CA CYS A 73 10.410 6.206 -6.595 1.00 0.41 C ATOM 1111 C CYS A 73 9.271 6.079 -5.589 1.00 0.40 C ATOM 1112 O CYS A 73 8.378 5.269 -5.751 1.00 0.53 O ATOM 1113 CB CYS A 73 9.983 7.125 -7.736 1.00 0.44 C ATOM 1114 SG CYS A 73 9.041 6.384 -9.092 1.00 0.37 S ATOM 0 H CYS A 73 10.174 4.095 -6.863 1.00 0.35 H new ATOM 0 HA CYS A 73 11.278 6.621 -6.083 1.00 0.41 H new ATOM 0 HB2 CYS A 73 9.386 7.933 -7.313 1.00 0.44 H new ATOM 0 HB3 CYS A 73 10.880 7.579 -8.157 1.00 0.44 H new ATOM 0 HG CYS A 73 8.757 7.297 -9.973 1.00 0.37 H new ATOM 1120 N THR A 74 9.338 6.892 -4.569 1.00 0.30 N ATOM 1121 CA THR A 74 8.283 6.866 -3.517 1.00 0.28 C ATOM 1122 C THR A 74 7.643 8.267 -3.413 1.00 0.29 C ATOM 1123 O THR A 74 8.263 9.249 -3.765 1.00 0.29 O ATOM 1124 CB THR A 74 8.950 6.503 -2.185 1.00 0.29 C ATOM 1125 OG1 THR A 74 10.219 7.147 -2.229 1.00 0.30 O ATOM 1126 CG2 THR A 74 9.262 5.013 -2.106 1.00 0.37 C ATOM 0 H THR A 74 10.081 7.575 -4.419 1.00 0.30 H new ATOM 0 HA THR A 74 7.511 6.136 -3.761 1.00 0.28 H new ATOM 0 HB THR A 74 8.303 6.785 -1.355 1.00 0.29 H new ATOM 0 HG1 THR A 74 10.709 6.961 -1.401 1.00 0.30 H new ATOM 0 HG21 THR A 74 9.734 4.790 -1.149 1.00 0.37 H new ATOM 0 HG22 THR A 74 8.338 4.442 -2.196 1.00 0.37 H new ATOM 0 HG23 THR A 74 9.938 4.739 -2.916 1.00 0.37 H new ATOM 1134 N PRO A 75 6.408 8.342 -2.934 1.00 0.29 N ATOM 1135 CA PRO A 75 5.596 7.176 -2.515 1.00 0.28 C ATOM 1136 C PRO A 75 5.006 6.444 -3.736 1.00 0.28 C ATOM 1137 O PRO A 75 4.705 7.059 -4.744 1.00 0.29 O ATOM 1138 CB PRO A 75 4.458 7.779 -1.685 1.00 0.27 C ATOM 1139 CG PRO A 75 4.505 9.324 -1.892 1.00 0.29 C ATOM 1140 CD PRO A 75 5.767 9.636 -2.719 1.00 0.30 C ATOM 0 HA PRO A 75 6.192 6.448 -1.965 1.00 0.28 H new ATOM 0 HB2 PRO A 75 3.496 7.377 -2.002 1.00 0.27 H new ATOM 0 HB3 PRO A 75 4.576 7.528 -0.631 1.00 0.27 H new ATOM 0 HG2 PRO A 75 3.611 9.670 -2.410 1.00 0.29 H new ATOM 0 HG3 PRO A 75 4.537 9.840 -0.932 1.00 0.29 H new ATOM 0 HD2 PRO A 75 5.511 10.112 -3.666 1.00 0.30 H new ATOM 0 HD3 PRO A 75 6.428 10.320 -2.187 1.00 0.30 H new ATOM 1148 N THR A 76 4.856 5.145 -3.608 1.00 0.27 N ATOM 1149 CA THR A 76 4.282 4.345 -4.737 1.00 0.27 C ATOM 1150 C THR A 76 3.067 3.555 -4.247 1.00 0.23 C ATOM 1151 O THR A 76 3.153 2.824 -3.279 1.00 0.32 O ATOM 1152 CB THR A 76 5.341 3.370 -5.257 1.00 0.36 C ATOM 1153 OG1 THR A 76 5.940 4.041 -6.360 1.00 0.30 O ATOM 1154 CG2 THR A 76 4.704 2.110 -5.848 1.00 0.81 C ATOM 0 H THR A 76 5.104 4.609 -2.777 1.00 0.27 H new ATOM 0 HA THR A 76 3.976 5.020 -5.537 1.00 0.27 H new ATOM 0 HB THR A 76 6.017 3.089 -4.449 1.00 0.36 H new ATOM 0 HG1 THR A 76 6.785 4.447 -6.076 1.00 0.30 H new ATOM 0 HG21 THR A 76 5.486 1.441 -6.207 1.00 0.81 H new ATOM 0 HG22 THR A 76 4.118 1.604 -5.081 1.00 0.81 H new ATOM 0 HG23 THR A 76 4.054 2.386 -6.678 1.00 0.81 H new ATOM 1162 N PHE A 77 1.965 3.714 -4.929 1.00 0.14 N ATOM 1163 CA PHE A 77 0.733 2.980 -4.514 1.00 0.10 C ATOM 1164 C PHE A 77 0.505 1.764 -5.409 1.00 0.11 C ATOM 1165 O PHE A 77 0.550 1.866 -6.619 1.00 0.11 O ATOM 1166 CB PHE A 77 -0.466 3.911 -4.631 1.00 0.10 C ATOM 1167 CG PHE A 77 -0.465 4.879 -3.456 1.00 0.10 C ATOM 1168 CD1 PHE A 77 -0.689 4.412 -2.177 1.00 0.10 C ATOM 1169 CD2 PHE A 77 -0.242 6.230 -3.652 1.00 0.10 C ATOM 1170 CE1 PHE A 77 -0.693 5.284 -1.107 1.00 0.13 C ATOM 1171 CE2 PHE A 77 -0.245 7.100 -2.582 1.00 0.13 C ATOM 1172 CZ PHE A 77 -0.471 6.626 -1.310 1.00 0.15 C ATOM 0 H PHE A 77 1.863 4.314 -5.748 1.00 0.14 H new ATOM 0 HA PHE A 77 0.855 2.644 -3.484 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.424 4.461 -5.571 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.390 3.333 -4.641 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.862 3.359 -2.012 1.00 0.10 H new ATOM 0 HD2 PHE A 77 -0.064 6.606 -4.649 1.00 0.10 H new ATOM 0 HE1 PHE A 77 -0.871 4.912 -0.109 1.00 0.13 H new ATOM 0 HE2 PHE A 77 -0.070 8.154 -2.742 1.00 0.13 H new ATOM 0 HZ PHE A 77 -0.474 7.307 -0.472 1.00 0.15 H new ATOM 1182 N GLN A 78 0.266 0.640 -4.787 1.00 0.12 N ATOM 1183 CA GLN A 78 0.012 -0.607 -5.578 1.00 0.13 C ATOM 1184 C GLN A 78 -1.321 -1.230 -5.163 1.00 0.12 C ATOM 1185 O GLN A 78 -1.741 -1.107 -4.029 1.00 0.12 O ATOM 1186 CB GLN A 78 1.138 -1.600 -5.326 1.00 0.14 C ATOM 1187 CG GLN A 78 2.442 -1.062 -5.936 1.00 0.67 C ATOM 1188 CD GLN A 78 2.941 -2.012 -7.032 1.00 0.57 C ATOM 1189 OE1 GLN A 78 2.762 -3.214 -6.965 1.00 1.17 O ATOM 1190 NE2 GLN A 78 3.577 -1.514 -8.056 1.00 1.53 N ATOM 0 H GLN A 78 0.235 0.528 -3.774 1.00 0.12 H new ATOM 0 HA GLN A 78 -0.029 -0.357 -6.638 1.00 0.13 H new ATOM 0 HB2 GLN A 78 1.264 -1.759 -4.255 1.00 0.14 H new ATOM 0 HB3 GLN A 78 0.890 -2.566 -5.765 1.00 0.14 H new ATOM 0 HG2 GLN A 78 2.275 -0.069 -6.353 1.00 0.67 H new ATOM 0 HG3 GLN A 78 3.200 -0.959 -5.160 1.00 0.67 H new ATOM 0 HE21 GLN A 78 3.731 -0.508 -8.120 1.00 1.53 H new ATOM 0 HE22 GLN A 78 3.920 -2.131 -8.793 1.00 1.53 H new ATOM 1199 N PHE A 79 -1.954 -1.889 -6.098 1.00 0.12 N ATOM 1200 CA PHE A 79 -3.272 -2.528 -5.803 1.00 0.13 C ATOM 1201 C PHE A 79 -3.151 -4.052 -5.917 1.00 0.15 C ATOM 1202 O PHE A 79 -2.681 -4.561 -6.916 1.00 0.23 O ATOM 1203 CB PHE A 79 -4.305 -2.028 -6.819 1.00 0.11 C ATOM 1204 CG PHE A 79 -4.680 -0.567 -6.515 1.00 0.12 C ATOM 1205 CD1 PHE A 79 -3.730 0.442 -6.608 1.00 0.12 C ATOM 1206 CD2 PHE A 79 -5.974 -0.236 -6.145 1.00 0.13 C ATOM 1207 CE1 PHE A 79 -4.073 1.753 -6.334 1.00 0.14 C ATOM 1208 CE2 PHE A 79 -6.312 1.076 -5.871 1.00 0.15 C ATOM 1209 CZ PHE A 79 -5.363 2.069 -5.968 1.00 0.16 C ATOM 0 H PHE A 79 -1.616 -2.013 -7.052 1.00 0.12 H new ATOM 0 HA PHE A 79 -3.583 -2.268 -4.791 1.00 0.13 H new ATOM 0 HB2 PHE A 79 -3.901 -2.106 -7.828 1.00 0.11 H new ATOM 0 HB3 PHE A 79 -5.196 -2.655 -6.783 1.00 0.11 H new ATOM 0 HD1 PHE A 79 -2.717 0.201 -6.896 1.00 0.12 H new ATOM 0 HD2 PHE A 79 -6.724 -1.009 -6.070 1.00 0.13 H new ATOM 0 HE1 PHE A 79 -3.328 2.531 -6.407 1.00 0.14 H new ATOM 0 HE2 PHE A 79 -7.322 1.323 -5.580 1.00 0.15 H new ATOM 0 HZ PHE A 79 -5.630 3.094 -5.757 1.00 0.16 H new ATOM 1219 N PHE A 80 -3.576 -4.746 -4.887 1.00 0.14 N ATOM 1220 CA PHE A 80 -3.501 -6.241 -4.917 1.00 0.17 C ATOM 1221 C PHE A 80 -4.875 -6.837 -4.603 1.00 0.19 C ATOM 1222 O PHE A 80 -5.618 -6.302 -3.804 1.00 0.21 O ATOM 1223 CB PHE A 80 -2.489 -6.717 -3.874 1.00 0.21 C ATOM 1224 CG PHE A 80 -1.072 -6.357 -4.324 1.00 0.23 C ATOM 1225 CD1 PHE A 80 -0.391 -7.159 -5.225 1.00 0.28 C ATOM 1226 CD2 PHE A 80 -0.452 -5.222 -3.836 1.00 0.25 C ATOM 1227 CE1 PHE A 80 0.889 -6.828 -5.624 1.00 0.30 C ATOM 1228 CE2 PHE A 80 0.828 -4.897 -4.237 1.00 0.27 C ATOM 1229 CZ PHE A 80 1.495 -5.700 -5.129 1.00 0.28 C ATOM 0 H PHE A 80 -3.968 -4.346 -4.035 1.00 0.14 H new ATOM 0 HA PHE A 80 -3.188 -6.567 -5.909 1.00 0.17 H new ATOM 0 HB2 PHE A 80 -2.702 -6.255 -2.910 1.00 0.21 H new ATOM 0 HB3 PHE A 80 -2.574 -7.795 -3.737 1.00 0.21 H new ATOM 0 HD1 PHE A 80 -0.863 -8.047 -5.617 1.00 0.28 H new ATOM 0 HD2 PHE A 80 -0.973 -4.585 -3.136 1.00 0.25 H new ATOM 0 HE1 PHE A 80 1.414 -7.458 -6.327 1.00 0.30 H new ATOM 0 HE2 PHE A 80 1.306 -4.010 -3.849 1.00 0.27 H new ATOM 0 HZ PHE A 80 2.497 -5.444 -5.441 1.00 0.28 H new ATOM 1239 N LYS A 81 -5.183 -7.934 -5.247 1.00 0.20 N ATOM 1240 CA LYS A 81 -6.506 -8.588 -5.009 1.00 0.21 C ATOM 1241 C LYS A 81 -6.319 -10.099 -4.846 1.00 0.37 C ATOM 1242 O LYS A 81 -5.714 -10.747 -5.677 1.00 0.43 O ATOM 1243 CB LYS A 81 -7.420 -8.311 -6.206 1.00 0.08 C ATOM 1244 CG LYS A 81 -8.847 -8.785 -5.878 1.00 0.11 C ATOM 1245 CD LYS A 81 -9.761 -7.578 -5.606 1.00 1.07 C ATOM 1246 CE LYS A 81 -10.279 -7.024 -6.937 1.00 1.25 C ATOM 1247 NZ LYS A 81 -9.228 -7.113 -7.991 1.00 2.66 N ATOM 0 H LYS A 81 -4.580 -8.403 -5.923 1.00 0.20 H new ATOM 0 HA LYS A 81 -6.953 -8.187 -4.100 1.00 0.21 H new ATOM 0 HB2 LYS A 81 -7.423 -7.246 -6.437 1.00 0.08 H new ATOM 0 HB3 LYS A 81 -7.047 -8.828 -7.090 1.00 0.08 H new ATOM 0 HG2 LYS A 81 -9.243 -9.370 -6.708 1.00 0.11 H new ATOM 0 HG3 LYS A 81 -8.829 -9.440 -5.007 1.00 0.11 H new ATOM 0 HD2 LYS A 81 -10.597 -7.876 -4.973 1.00 1.07 H new ATOM 0 HD3 LYS A 81 -9.212 -6.806 -5.067 1.00 1.07 H new ATOM 0 HE2 LYS A 81 -11.162 -7.581 -7.249 1.00 1.25 H new ATOM 0 HE3 LYS A 81 -10.586 -5.986 -6.809 1.00 1.25 H new ATOM 0 HZ1 LYS A 81 -9.588 -6.701 -8.876 1.00 2.66 H new ATOM 0 HZ2 LYS A 81 -8.383 -6.590 -7.684 1.00 2.66 H new ATOM 0 HZ3 LYS A 81 -8.979 -8.110 -8.149 1.00 2.66 H new ATOM 1261 N LYS A 82 -6.844 -10.629 -3.774 1.00 0.46 N ATOM 1262 CA LYS A 82 -6.703 -12.094 -3.541 1.00 0.60 C ATOM 1263 C LYS A 82 -5.231 -12.501 -3.652 1.00 0.62 C ATOM 1264 O LYS A 82 -4.909 -13.670 -3.711 1.00 0.67 O ATOM 1265 CB LYS A 82 -7.519 -12.848 -4.587 1.00 0.65 C ATOM 1266 CG LYS A 82 -8.037 -14.152 -3.975 1.00 1.05 C ATOM 1267 CD LYS A 82 -8.759 -14.963 -5.054 1.00 0.98 C ATOM 1268 CE LYS A 82 -8.926 -16.404 -4.569 1.00 2.23 C ATOM 1269 NZ LYS A 82 -7.899 -17.285 -5.193 1.00 3.15 N ATOM 0 H LYS A 82 -7.359 -10.117 -3.057 1.00 0.46 H new ATOM 0 HA LYS A 82 -7.066 -12.338 -2.542 1.00 0.60 H new ATOM 0 HB2 LYS A 82 -8.354 -12.235 -4.926 1.00 0.65 H new ATOM 0 HB3 LYS A 82 -6.904 -13.061 -5.461 1.00 0.65 H new ATOM 0 HG2 LYS A 82 -7.209 -14.729 -3.563 1.00 1.05 H new ATOM 0 HG3 LYS A 82 -8.716 -13.936 -3.150 1.00 1.05 H new ATOM 0 HD2 LYS A 82 -9.733 -14.523 -5.267 1.00 0.98 H new ATOM 0 HD3 LYS A 82 -8.190 -14.943 -5.984 1.00 0.98 H new ATOM 0 HE2 LYS A 82 -8.835 -16.442 -3.483 1.00 2.23 H new ATOM 0 HE3 LYS A 82 -9.924 -16.765 -4.818 1.00 2.23 H new ATOM 0 HZ1 LYS A 82 -8.026 -18.260 -4.854 1.00 3.15 H new ATOM 0 HZ2 LYS A 82 -8.004 -17.262 -6.227 1.00 3.15 H new ATOM 0 HZ3 LYS A 82 -6.950 -16.949 -4.934 1.00 3.15 H new ATOM 1283 N GLY A 83 -4.370 -11.519 -3.677 1.00 0.57 N ATOM 1284 CA GLY A 83 -2.915 -11.821 -3.790 1.00 0.57 C ATOM 1285 C GLY A 83 -2.463 -11.696 -5.245 1.00 0.50 C ATOM 1286 O GLY A 83 -1.529 -12.350 -5.668 1.00 0.52 O ATOM 0 H GLY A 83 -4.609 -10.529 -3.625 1.00 0.57 H new ATOM 0 HA2 GLY A 83 -2.344 -11.136 -3.164 1.00 0.57 H new ATOM 0 HA3 GLY A 83 -2.715 -12.828 -3.424 1.00 0.57 H new ATOM 1290 N GLN A 84 -3.140 -10.853 -5.981 1.00 0.54 N ATOM 1291 CA GLN A 84 -2.775 -10.661 -7.418 1.00 0.47 C ATOM 1292 C GLN A 84 -2.793 -9.169 -7.771 1.00 0.35 C ATOM 1293 O GLN A 84 -3.788 -8.497 -7.583 1.00 0.22 O ATOM 1294 CB GLN A 84 -3.785 -11.404 -8.290 1.00 0.59 C ATOM 1295 CG GLN A 84 -3.924 -12.841 -7.784 1.00 1.64 C ATOM 1296 CD GLN A 84 -4.853 -13.620 -8.718 1.00 1.71 C ATOM 1297 OE1 GLN A 84 -4.439 -14.539 -9.397 1.00 1.75 O ATOM 1298 NE2 GLN A 84 -6.113 -13.287 -8.781 1.00 2.34 N ATOM 0 H GLN A 84 -3.926 -10.292 -5.652 1.00 0.54 H new ATOM 0 HA GLN A 84 -1.773 -11.052 -7.593 1.00 0.47 H new ATOM 0 HB2 GLN A 84 -4.751 -10.900 -8.259 1.00 0.59 H new ATOM 0 HB3 GLN A 84 -3.457 -11.402 -9.330 1.00 0.59 H new ATOM 0 HG2 GLN A 84 -2.946 -13.320 -7.743 1.00 1.64 H new ATOM 0 HG3 GLN A 84 -4.323 -12.844 -6.770 1.00 1.64 H new ATOM 0 HE21 GLN A 84 -6.466 -12.517 -8.213 1.00 2.34 H new ATOM 0 HE22 GLN A 84 -6.745 -13.797 -9.398 1.00 2.34 H new ATOM 1307 N LYS A 85 -1.692 -8.686 -8.278 1.00 0.42 N ATOM 1308 CA LYS A 85 -1.624 -7.244 -8.647 1.00 0.34 C ATOM 1309 C LYS A 85 -2.648 -6.930 -9.743 1.00 0.33 C ATOM 1310 O LYS A 85 -2.861 -7.725 -10.637 1.00 0.45 O ATOM 1311 CB LYS A 85 -0.214 -6.933 -9.155 1.00 0.34 C ATOM 1312 CG LYS A 85 -0.015 -5.416 -9.247 1.00 0.28 C ATOM 1313 CD LYS A 85 1.485 -5.117 -9.305 1.00 0.32 C ATOM 1314 CE LYS A 85 2.101 -5.860 -10.492 1.00 0.65 C ATOM 1315 NZ LYS A 85 3.401 -5.245 -10.878 1.00 0.60 N ATOM 0 H LYS A 85 -0.842 -9.223 -8.452 1.00 0.42 H new ATOM 0 HA LYS A 85 -1.851 -6.633 -7.774 1.00 0.34 H new ATOM 0 HB2 LYS A 85 0.528 -7.366 -8.483 1.00 0.34 H new ATOM 0 HB3 LYS A 85 -0.062 -7.388 -10.134 1.00 0.34 H new ATOM 0 HG2 LYS A 85 -0.512 -5.023 -10.134 1.00 0.28 H new ATOM 0 HG3 LYS A 85 -0.465 -4.924 -8.385 1.00 0.28 H new ATOM 0 HD2 LYS A 85 1.650 -4.044 -9.407 1.00 0.32 H new ATOM 0 HD3 LYS A 85 1.966 -5.427 -8.377 1.00 0.32 H new ATOM 0 HE2 LYS A 85 2.251 -6.908 -10.234 1.00 0.65 H new ATOM 0 HE3 LYS A 85 1.415 -5.835 -11.339 1.00 0.65 H new ATOM 0 HZ1 LYS A 85 3.679 -5.585 -11.821 1.00 0.60 H new ATOM 0 HZ2 LYS A 85 3.303 -4.210 -10.898 1.00 0.60 H new ATOM 0 HZ3 LYS A 85 4.130 -5.510 -10.185 1.00 0.60 H new ATOM 1329 N VAL A 86 -3.261 -5.775 -9.646 1.00 0.28 N ATOM 1330 CA VAL A 86 -4.278 -5.389 -10.678 1.00 0.28 C ATOM 1331 C VAL A 86 -4.089 -3.929 -11.106 1.00 0.30 C ATOM 1332 O VAL A 86 -4.425 -3.557 -12.213 1.00 0.41 O ATOM 1333 CB VAL A 86 -5.679 -5.567 -10.093 1.00 0.29 C ATOM 1334 CG1 VAL A 86 -6.099 -7.031 -10.232 1.00 0.24 C ATOM 1335 CG2 VAL A 86 -5.661 -5.184 -8.611 1.00 0.32 C ATOM 0 H VAL A 86 -3.105 -5.089 -8.907 1.00 0.28 H new ATOM 0 HA VAL A 86 -4.151 -6.028 -11.552 1.00 0.28 H new ATOM 0 HB VAL A 86 -6.384 -4.930 -10.627 1.00 0.29 H new ATOM 0 HG11 VAL A 86 -7.098 -7.164 -9.816 1.00 0.24 H new ATOM 0 HG12 VAL A 86 -6.105 -7.309 -11.286 1.00 0.24 H new ATOM 0 HG13 VAL A 86 -5.394 -7.664 -9.693 1.00 0.24 H new ATOM 0 HG21 VAL A 86 -6.659 -5.310 -8.191 1.00 0.32 H new ATOM 0 HG22 VAL A 86 -4.959 -5.825 -8.078 1.00 0.32 H new ATOM 0 HG23 VAL A 86 -5.352 -4.144 -8.508 1.00 0.32 H new ATOM 1345 N GLY A 87 -3.555 -3.131 -10.223 1.00 0.25 N ATOM 1346 CA GLY A 87 -3.346 -1.696 -10.570 1.00 0.30 C ATOM 1347 C GLY A 87 -2.147 -1.132 -9.814 1.00 0.24 C ATOM 1348 O GLY A 87 -1.796 -1.614 -8.756 1.00 0.20 O ATOM 0 H GLY A 87 -3.257 -3.405 -9.287 1.00 0.25 H new ATOM 0 HA2 GLY A 87 -3.187 -1.595 -11.644 1.00 0.30 H new ATOM 0 HA3 GLY A 87 -4.240 -1.123 -10.325 1.00 0.30 H new ATOM 1352 N GLU A 88 -1.536 -0.122 -10.370 1.00 0.30 N ATOM 1353 CA GLU A 88 -0.364 0.478 -9.677 1.00 0.28 C ATOM 1354 C GLU A 88 -0.010 1.839 -10.278 1.00 0.33 C ATOM 1355 O GLU A 88 0.225 1.962 -11.464 1.00 0.45 O ATOM 1356 CB GLU A 88 0.833 -0.465 -9.808 1.00 0.41 C ATOM 1357 CG GLU A 88 1.203 -0.605 -11.285 1.00 0.53 C ATOM 1358 CD GLU A 88 1.955 -1.920 -11.495 1.00 1.09 C ATOM 1359 OE1 GLU A 88 3.011 -2.040 -10.896 1.00 1.28 O ATOM 1360 OE2 GLU A 88 1.432 -2.730 -12.241 1.00 2.17 O ATOM 0 H GLU A 88 -1.793 0.307 -11.259 1.00 0.30 H new ATOM 0 HA GLU A 88 -0.616 0.622 -8.626 1.00 0.28 H new ATOM 0 HB2 GLU A 88 1.681 -0.077 -9.244 1.00 0.41 H new ATOM 0 HB3 GLU A 88 0.590 -1.441 -9.387 1.00 0.41 H new ATOM 0 HG2 GLU A 88 0.304 -0.585 -11.901 1.00 0.53 H new ATOM 0 HG3 GLU A 88 1.822 0.236 -11.598 1.00 0.53 H new ATOM 1367 N PHE A 89 0.014 2.829 -9.434 1.00 0.24 N ATOM 1368 CA PHE A 89 0.358 4.193 -9.897 1.00 0.29 C ATOM 1369 C PHE A 89 1.089 4.941 -8.778 1.00 0.24 C ATOM 1370 O PHE A 89 0.700 4.870 -7.627 1.00 0.17 O ATOM 1371 CB PHE A 89 -0.931 4.911 -10.262 1.00 0.32 C ATOM 1372 CG PHE A 89 -1.496 5.633 -9.037 1.00 0.29 C ATOM 1373 CD1 PHE A 89 -1.018 6.878 -8.665 1.00 0.29 C ATOM 1374 CD2 PHE A 89 -2.500 5.047 -8.282 1.00 0.27 C ATOM 1375 CE1 PHE A 89 -1.535 7.525 -7.561 1.00 0.29 C ATOM 1376 CE2 PHE A 89 -3.014 5.696 -7.178 1.00 0.28 C ATOM 1377 CZ PHE A 89 -2.531 6.932 -6.820 1.00 0.30 C ATOM 0 H PHE A 89 -0.192 2.749 -8.438 1.00 0.24 H new ATOM 0 HA PHE A 89 1.012 4.150 -10.768 1.00 0.29 H new ATOM 0 HB2 PHE A 89 -0.743 5.628 -11.062 1.00 0.32 H new ATOM 0 HB3 PHE A 89 -1.661 4.195 -10.640 1.00 0.32 H new ATOM 0 HD1 PHE A 89 -0.235 7.346 -9.243 1.00 0.29 H new ATOM 0 HD2 PHE A 89 -2.883 4.076 -8.560 1.00 0.27 H new ATOM 0 HE1 PHE A 89 -1.158 8.497 -7.279 1.00 0.29 H new ATOM 0 HE2 PHE A 89 -3.796 5.233 -6.595 1.00 0.28 H new ATOM 0 HZ PHE A 89 -2.934 7.439 -5.956 1.00 0.30 H new ATOM 1387 N SER A 90 2.135 5.638 -9.136 1.00 0.29 N ATOM 1388 CA SER A 90 2.910 6.387 -8.100 1.00 0.27 C ATOM 1389 C SER A 90 2.611 7.883 -8.182 1.00 0.24 C ATOM 1390 O SER A 90 1.970 8.340 -9.108 1.00 0.22 O ATOM 1391 CB SER A 90 4.402 6.154 -8.329 1.00 0.34 C ATOM 1392 OG SER A 90 4.669 6.796 -9.567 1.00 0.32 O ATOM 0 H SER A 90 2.485 5.722 -10.091 1.00 0.29 H new ATOM 0 HA SER A 90 2.621 6.028 -7.112 1.00 0.27 H new ATOM 0 HB2 SER A 90 5.000 6.579 -7.523 1.00 0.34 H new ATOM 0 HB3 SER A 90 4.637 5.091 -8.373 1.00 0.34 H new ATOM 0 HG SER A 90 5.618 6.694 -9.790 1.00 0.32 H new ATOM 1398 N GLY A 91 3.085 8.610 -7.200 1.00 0.24 N ATOM 1399 CA GLY A 91 2.850 10.086 -7.183 1.00 0.24 C ATOM 1400 C GLY A 91 2.060 10.483 -5.936 1.00 0.25 C ATOM 1401 O GLY A 91 1.092 9.840 -5.580 1.00 0.27 O ATOM 0 H GLY A 91 3.622 8.246 -6.413 1.00 0.24 H new ATOM 0 HA2 GLY A 91 3.804 10.613 -7.201 1.00 0.24 H new ATOM 0 HA3 GLY A 91 2.304 10.385 -8.078 1.00 0.24 H new ATOM 1405 N ALA A 92 2.488 11.538 -5.299 1.00 0.36 N ATOM 1406 CA ALA A 92 1.772 11.992 -4.072 1.00 0.43 C ATOM 1407 C ALA A 92 0.434 12.637 -4.450 1.00 0.26 C ATOM 1408 O ALA A 92 0.357 13.829 -4.673 1.00 0.35 O ATOM 1409 CB ALA A 92 2.642 13.009 -3.335 1.00 0.62 C ATOM 0 H ALA A 92 3.294 12.101 -5.571 1.00 0.36 H new ATOM 0 HA ALA A 92 1.578 11.134 -3.428 1.00 0.43 H new ATOM 0 HB1 ALA A 92 2.126 13.346 -2.436 1.00 0.62 H new ATOM 0 HB2 ALA A 92 3.588 12.545 -3.057 1.00 0.62 H new ATOM 0 HB3 ALA A 92 2.834 13.863 -3.985 1.00 0.62 H new ATOM 1415 N ASN A 93 -0.591 11.833 -4.511 1.00 0.58 N ATOM 1416 CA ASN A 93 -1.932 12.379 -4.873 1.00 0.46 C ATOM 1417 C ASN A 93 -3.029 11.643 -4.092 1.00 0.57 C ATOM 1418 O ASN A 93 -3.005 10.434 -3.977 1.00 0.56 O ATOM 1419 CB ASN A 93 -2.158 12.190 -6.373 1.00 0.40 C ATOM 1420 CG ASN A 93 -3.180 13.215 -6.866 1.00 0.41 C ATOM 1421 OD1 ASN A 93 -3.282 13.488 -8.046 1.00 0.31 O ATOM 1422 ND2 ASN A 93 -3.955 13.806 -5.998 1.00 0.55 N ATOM 0 H ASN A 93 -0.561 10.830 -4.328 1.00 0.58 H new ATOM 0 HA ASN A 93 -1.971 13.439 -4.622 1.00 0.46 H new ATOM 0 HB2 ASN A 93 -1.218 12.310 -6.911 1.00 0.40 H new ATOM 0 HB3 ASN A 93 -2.514 11.180 -6.574 1.00 0.40 H new ATOM 0 HD21 ASN A 93 -4.641 14.492 -6.311 1.00 0.55 H new ATOM 0 HD22 ASN A 93 -3.874 13.581 -5.006 1.00 0.55 H new ATOM 1429 N LYS A 94 -3.967 12.396 -3.573 1.00 0.77 N ATOM 1430 CA LYS A 94 -5.077 11.762 -2.794 1.00 0.99 C ATOM 1431 C LYS A 94 -6.346 11.703 -3.643 1.00 0.99 C ATOM 1432 O LYS A 94 -6.964 10.663 -3.766 1.00 1.05 O ATOM 1433 CB LYS A 94 -5.350 12.584 -1.532 1.00 1.31 C ATOM 1434 CG LYS A 94 -4.023 12.853 -0.798 1.00 0.59 C ATOM 1435 CD LYS A 94 -3.210 13.939 -1.528 1.00 0.60 C ATOM 1436 CE LYS A 94 -2.715 14.959 -0.503 1.00 0.16 C ATOM 1437 NZ LYS A 94 -3.867 15.634 0.159 1.00 1.21 N ATOM 0 H LYS A 94 -4.013 13.412 -3.653 1.00 0.77 H new ATOM 0 HA LYS A 94 -4.783 10.749 -2.518 1.00 0.99 H new ATOM 0 HB2 LYS A 94 -5.830 13.527 -1.796 1.00 1.31 H new ATOM 0 HB3 LYS A 94 -6.038 12.048 -0.878 1.00 1.31 H new ATOM 0 HG2 LYS A 94 -4.225 13.169 0.226 1.00 0.59 H new ATOM 0 HG3 LYS A 94 -3.441 11.933 -0.739 1.00 0.59 H new ATOM 0 HD2 LYS A 94 -2.366 13.490 -2.051 1.00 0.60 H new ATOM 0 HD3 LYS A 94 -3.827 14.430 -2.281 1.00 0.60 H new ATOM 0 HE2 LYS A 94 -2.098 14.461 0.245 1.00 0.16 H new ATOM 0 HE3 LYS A 94 -2.085 15.700 -0.994 1.00 0.16 H new ATOM 0 HZ1 LYS A 94 -3.683 16.656 0.219 1.00 1.21 H new ATOM 0 HZ2 LYS A 94 -4.731 15.470 -0.396 1.00 1.21 H new ATOM 0 HZ3 LYS A 94 -3.992 15.248 1.116 1.00 1.21 H new ATOM 1451 N GLU A 95 -6.715 12.820 -4.213 1.00 1.00 N ATOM 1452 CA GLU A 95 -7.936 12.831 -5.061 1.00 1.15 C ATOM 1453 C GLU A 95 -7.900 11.640 -6.016 1.00 0.95 C ATOM 1454 O GLU A 95 -8.911 11.229 -6.548 1.00 1.09 O ATOM 1455 CB GLU A 95 -7.984 14.134 -5.859 1.00 1.24 C ATOM 1456 CG GLU A 95 -7.679 15.304 -4.922 1.00 1.02 C ATOM 1457 CD GLU A 95 -8.276 16.587 -5.503 1.00 1.51 C ATOM 1458 OE1 GLU A 95 -7.848 16.937 -6.592 1.00 2.55 O ATOM 1459 OE2 GLU A 95 -9.124 17.144 -4.828 1.00 1.20 O ATOM 0 H GLU A 95 -6.229 13.713 -4.128 1.00 1.00 H new ATOM 0 HA GLU A 95 -8.823 12.760 -4.432 1.00 1.15 H new ATOM 0 HB2 GLU A 95 -7.259 14.104 -6.672 1.00 1.24 H new ATOM 0 HB3 GLU A 95 -8.967 14.261 -6.313 1.00 1.24 H new ATOM 0 HG2 GLU A 95 -8.095 15.111 -3.933 1.00 1.02 H new ATOM 0 HG3 GLU A 95 -6.602 15.414 -4.798 1.00 1.02 H new ATOM 1466 N LYS A 96 -6.723 11.111 -6.209 1.00 0.67 N ATOM 1467 CA LYS A 96 -6.584 9.941 -7.116 1.00 0.52 C ATOM 1468 C LYS A 96 -6.875 8.643 -6.348 1.00 0.41 C ATOM 1469 O LYS A 96 -7.690 7.849 -6.762 1.00 0.35 O ATOM 1470 CB LYS A 96 -5.156 9.900 -7.663 1.00 0.35 C ATOM 1471 CG LYS A 96 -5.018 8.719 -8.636 1.00 0.47 C ATOM 1472 CD LYS A 96 -4.100 9.115 -9.805 1.00 1.00 C ATOM 1473 CE LYS A 96 -4.769 10.196 -10.678 1.00 0.51 C ATOM 1474 NZ LYS A 96 -6.203 10.388 -10.312 1.00 1.89 N ATOM 0 H LYS A 96 -5.857 11.437 -5.780 1.00 0.67 H new ATOM 0 HA LYS A 96 -7.294 10.034 -7.938 1.00 0.52 H new ATOM 0 HB2 LYS A 96 -4.923 10.835 -8.173 1.00 0.35 H new ATOM 0 HB3 LYS A 96 -4.444 9.797 -6.844 1.00 0.35 H new ATOM 0 HG2 LYS A 96 -4.608 7.853 -8.116 1.00 0.47 H new ATOM 0 HG3 LYS A 96 -5.999 8.429 -9.013 1.00 0.47 H new ATOM 0 HD2 LYS A 96 -3.151 9.487 -9.419 1.00 1.00 H new ATOM 0 HD3 LYS A 96 -3.875 8.238 -10.412 1.00 1.00 H new ATOM 0 HE2 LYS A 96 -4.234 11.139 -10.564 1.00 0.51 H new ATOM 0 HE3 LYS A 96 -4.696 9.913 -11.728 1.00 0.51 H new ATOM 0 HZ1 LYS A 96 -6.673 10.964 -11.039 1.00 1.89 H new ATOM 0 HZ2 LYS A 96 -6.672 9.462 -10.248 1.00 1.89 H new ATOM 0 HZ3 LYS A 96 -6.265 10.872 -9.394 1.00 1.89 H new ATOM 1488 N LEU A 97 -6.201 8.464 -5.237 1.00 0.40 N ATOM 1489 CA LEU A 97 -6.420 7.219 -4.428 1.00 0.34 C ATOM 1490 C LEU A 97 -7.917 6.899 -4.336 1.00 0.34 C ATOM 1491 O LEU A 97 -8.356 5.849 -4.755 1.00 0.36 O ATOM 1492 CB LEU A 97 -5.871 7.433 -3.005 1.00 0.43 C ATOM 1493 CG LEU A 97 -4.329 7.323 -3.001 1.00 0.34 C ATOM 1494 CD1 LEU A 97 -3.771 8.037 -1.751 1.00 0.56 C ATOM 1495 CD2 LEU A 97 -3.908 5.834 -2.964 1.00 0.27 C ATOM 0 H LEU A 97 -5.516 9.117 -4.857 1.00 0.40 H new ATOM 0 HA LEU A 97 -5.904 6.391 -4.913 1.00 0.34 H new ATOM 0 HB2 LEU A 97 -6.173 8.413 -2.635 1.00 0.43 H new ATOM 0 HB3 LEU A 97 -6.297 6.692 -2.329 1.00 0.43 H new ATOM 0 HG LEU A 97 -3.933 7.788 -3.904 1.00 0.34 H new ATOM 0 HD11 LEU A 97 -2.684 7.962 -1.744 1.00 0.56 H new ATOM 0 HD12 LEU A 97 -4.062 9.087 -1.772 1.00 0.56 H new ATOM 0 HD13 LEU A 97 -4.173 7.567 -0.854 1.00 0.56 H new ATOM 0 HD21 LEU A 97 -2.820 5.763 -2.961 1.00 0.27 H new ATOM 0 HD22 LEU A 97 -4.304 5.366 -2.063 1.00 0.27 H new ATOM 0 HD23 LEU A 97 -4.303 5.322 -3.842 1.00 0.27 H new ATOM 1507 N GLU A 98 -8.667 7.813 -3.788 1.00 0.33 N ATOM 1508 CA GLU A 98 -10.134 7.575 -3.649 1.00 0.35 C ATOM 1509 C GLU A 98 -10.723 7.024 -4.946 1.00 0.37 C ATOM 1510 O GLU A 98 -11.068 5.864 -5.036 1.00 0.43 O ATOM 1511 CB GLU A 98 -10.822 8.891 -3.300 1.00 0.35 C ATOM 1512 CG GLU A 98 -12.306 8.623 -3.034 1.00 0.35 C ATOM 1513 CD GLU A 98 -12.944 9.869 -2.420 1.00 0.55 C ATOM 1514 OE1 GLU A 98 -12.834 9.994 -1.211 1.00 0.95 O ATOM 1515 OE2 GLU A 98 -13.507 10.626 -3.193 1.00 1.57 O ATOM 0 H GLU A 98 -8.333 8.709 -3.432 1.00 0.33 H new ATOM 0 HA GLU A 98 -10.296 6.842 -2.858 1.00 0.35 H new ATOM 0 HB2 GLU A 98 -10.357 9.337 -2.421 1.00 0.35 H new ATOM 0 HB3 GLU A 98 -10.709 9.603 -4.117 1.00 0.35 H new ATOM 0 HG2 GLU A 98 -12.812 8.362 -3.963 1.00 0.35 H new ATOM 0 HG3 GLU A 98 -12.419 7.774 -2.360 1.00 0.35 H new ATOM 1522 N ALA A 99 -10.826 7.869 -5.919 1.00 0.35 N ATOM 1523 CA ALA A 99 -11.406 7.424 -7.221 1.00 0.37 C ATOM 1524 C ALA A 99 -10.756 6.119 -7.684 1.00 0.37 C ATOM 1525 O ALA A 99 -11.402 5.284 -8.285 1.00 0.51 O ATOM 1526 CB ALA A 99 -11.177 8.510 -8.270 1.00 0.37 C ATOM 0 H ALA A 99 -10.538 8.847 -5.879 1.00 0.35 H new ATOM 0 HA ALA A 99 -12.474 7.251 -7.091 1.00 0.37 H new ATOM 0 HB1 ALA A 99 -11.599 8.190 -9.223 1.00 0.37 H new ATOM 0 HB2 ALA A 99 -11.661 9.433 -7.950 1.00 0.37 H new ATOM 0 HB3 ALA A 99 -10.107 8.683 -8.387 1.00 0.37 H new ATOM 1532 N THR A 100 -9.494 5.967 -7.401 1.00 0.23 N ATOM 1533 CA THR A 100 -8.808 4.716 -7.826 1.00 0.22 C ATOM 1534 C THR A 100 -9.417 3.522 -7.093 1.00 0.22 C ATOM 1535 O THR A 100 -9.662 2.489 -7.681 1.00 0.24 O ATOM 1536 CB THR A 100 -7.316 4.813 -7.509 1.00 0.21 C ATOM 1537 OG1 THR A 100 -6.902 6.055 -8.070 1.00 0.28 O ATOM 1538 CG2 THR A 100 -6.521 3.747 -8.257 1.00 0.16 C ATOM 0 H THR A 100 -8.915 6.642 -6.902 1.00 0.23 H new ATOM 0 HA THR A 100 -8.937 4.581 -8.900 1.00 0.22 H new ATOM 0 HB THR A 100 -7.154 4.705 -6.436 1.00 0.21 H new ATOM 0 HG1 THR A 100 -7.341 6.791 -7.595 1.00 0.28 H new ATOM 0 HG21 THR A 100 -5.463 3.842 -8.011 1.00 0.16 H new ATOM 0 HG22 THR A 100 -6.874 2.758 -7.965 1.00 0.16 H new ATOM 0 HG23 THR A 100 -6.657 3.878 -9.331 1.00 0.16 H new ATOM 1546 N ILE A 101 -9.647 3.686 -5.819 1.00 0.21 N ATOM 1547 CA ILE A 101 -10.260 2.573 -5.048 1.00 0.21 C ATOM 1548 C ILE A 101 -11.598 2.221 -5.673 1.00 0.26 C ATOM 1549 O ILE A 101 -11.936 1.065 -5.832 1.00 0.31 O ATOM 1550 CB ILE A 101 -10.473 3.016 -3.597 1.00 0.25 C ATOM 1551 CG1 ILE A 101 -9.185 2.783 -2.802 1.00 0.20 C ATOM 1552 CG2 ILE A 101 -11.609 2.197 -2.977 1.00 0.31 C ATOM 1553 CD1 ILE A 101 -9.053 3.872 -1.735 1.00 0.72 C ATOM 0 H ILE A 101 -9.440 4.531 -5.286 1.00 0.21 H new ATOM 0 HA ILE A 101 -9.604 1.703 -5.066 1.00 0.21 H new ATOM 0 HB ILE A 101 -10.732 4.075 -3.572 1.00 0.25 H new ATOM 0 HG12 ILE A 101 -9.204 1.799 -2.335 1.00 0.20 H new ATOM 0 HG13 ILE A 101 -8.323 2.803 -3.468 1.00 0.20 H new ATOM 0 HG21 ILE A 101 -11.762 2.511 -1.944 1.00 0.31 H new ATOM 0 HG22 ILE A 101 -12.525 2.358 -3.545 1.00 0.31 H new ATOM 0 HG23 ILE A 101 -11.349 1.139 -3.000 1.00 0.31 H new ATOM 0 HD11 ILE A 101 -8.138 3.713 -1.164 1.00 0.72 H new ATOM 0 HD12 ILE A 101 -9.016 4.850 -2.216 1.00 0.72 H new ATOM 0 HD13 ILE A 101 -9.911 3.830 -1.064 1.00 0.72 H new ATOM 1565 N ASN A 102 -12.332 3.232 -6.012 1.00 0.27 N ATOM 1566 CA ASN A 102 -13.650 2.995 -6.646 1.00 0.34 C ATOM 1567 C ASN A 102 -13.442 2.279 -7.978 1.00 0.37 C ATOM 1568 O ASN A 102 -14.376 1.788 -8.582 1.00 0.43 O ATOM 1569 CB ASN A 102 -14.339 4.337 -6.879 1.00 0.35 C ATOM 1570 CG ASN A 102 -15.029 4.315 -8.237 1.00 1.68 C ATOM 1571 OD1 ASN A 102 -16.235 4.200 -8.334 1.00 1.70 O ATOM 1572 ND2 ASN A 102 -14.302 4.424 -9.312 1.00 3.14 N ATOM 0 H ASN A 102 -12.079 4.211 -5.879 1.00 0.27 H new ATOM 0 HA ASN A 102 -14.272 2.377 -5.999 1.00 0.34 H new ATOM 0 HB2 ASN A 102 -15.067 4.528 -6.091 1.00 0.35 H new ATOM 0 HB3 ASN A 102 -13.609 5.146 -6.841 1.00 0.35 H new ATOM 0 HD21 ASN A 102 -14.745 4.413 -10.231 1.00 3.14 H new ATOM 0 HD22 ASN A 102 -13.289 4.521 -9.235 1.00 3.14 H new ATOM 1579 N GLU A 103 -12.208 2.236 -8.409 1.00 0.33 N ATOM 1580 CA GLU A 103 -11.902 1.557 -9.698 1.00 0.38 C ATOM 1581 C GLU A 103 -11.905 0.036 -9.514 1.00 0.42 C ATOM 1582 O GLU A 103 -12.512 -0.679 -10.286 1.00 0.48 O ATOM 1583 CB GLU A 103 -10.524 2.006 -10.180 1.00 0.35 C ATOM 1584 CG GLU A 103 -10.472 1.925 -11.707 1.00 0.40 C ATOM 1585 CD GLU A 103 -9.014 1.980 -12.166 1.00 1.56 C ATOM 1586 OE1 GLU A 103 -8.557 3.090 -12.386 1.00 1.70 O ATOM 1587 OE2 GLU A 103 -8.439 0.910 -12.270 1.00 2.71 O ATOM 0 H GLU A 103 -11.405 2.640 -7.926 1.00 0.33 H new ATOM 0 HA GLU A 103 -12.663 1.823 -10.432 1.00 0.38 H new ATOM 0 HB2 GLU A 103 -10.326 3.026 -9.851 1.00 0.35 H new ATOM 0 HB3 GLU A 103 -9.750 1.374 -9.744 1.00 0.35 H new ATOM 0 HG2 GLU A 103 -10.939 1.002 -12.050 1.00 0.40 H new ATOM 0 HG3 GLU A 103 -11.035 2.749 -12.146 1.00 0.40 H new ATOM 1594 N LEU A 104 -11.227 -0.427 -8.489 1.00 0.41 N ATOM 1595 CA LEU A 104 -11.173 -1.907 -8.252 1.00 0.45 C ATOM 1596 C LEU A 104 -12.114 -2.309 -7.107 1.00 0.45 C ATOM 1597 O LEU A 104 -12.213 -3.471 -6.768 1.00 0.49 O ATOM 1598 CB LEU A 104 -9.739 -2.308 -7.895 1.00 0.47 C ATOM 1599 CG LEU A 104 -8.757 -1.647 -8.872 1.00 0.46 C ATOM 1600 CD1 LEU A 104 -7.353 -2.195 -8.609 1.00 0.49 C ATOM 1601 CD2 LEU A 104 -9.167 -1.974 -10.316 1.00 0.48 C ATOM 0 H LEU A 104 -10.716 0.145 -7.816 1.00 0.41 H new ATOM 0 HA LEU A 104 -11.491 -2.419 -9.160 1.00 0.45 H new ATOM 0 HB2 LEU A 104 -9.510 -2.004 -6.873 1.00 0.47 H new ATOM 0 HB3 LEU A 104 -9.634 -3.392 -7.936 1.00 0.47 H new ATOM 0 HG LEU A 104 -8.769 -0.566 -8.730 1.00 0.46 H new ATOM 0 HD11 LEU A 104 -6.647 -1.732 -9.298 1.00 0.49 H new ATOM 0 HD12 LEU A 104 -7.061 -1.969 -7.584 1.00 0.49 H new ATOM 0 HD13 LEU A 104 -7.350 -3.275 -8.758 1.00 0.49 H new ATOM 0 HD21 LEU A 104 -8.468 -1.504 -11.008 1.00 0.48 H new ATOM 0 HD22 LEU A 104 -9.152 -3.054 -10.463 1.00 0.48 H new ATOM 0 HD23 LEU A 104 -10.172 -1.597 -10.503 1.00 0.48 H new ATOM 1613 N VAL A 105 -12.785 -1.346 -6.535 1.00 0.43 N ATOM 1614 CA VAL A 105 -13.718 -1.679 -5.416 1.00 0.42 C ATOM 1615 C VAL A 105 -14.593 -2.877 -5.798 1.00 0.51 C ATOM 1616 O VAL A 105 -14.956 -2.932 -6.962 1.00 1.22 O ATOM 1617 CB VAL A 105 -14.609 -0.473 -5.127 1.00 0.44 C ATOM 1618 CG1 VAL A 105 -15.444 -0.156 -6.369 1.00 0.70 C ATOM 1619 CG2 VAL A 105 -15.544 -0.802 -3.960 1.00 0.55 C ATOM 1620 OXT VAL A 105 -14.847 -3.667 -4.905 1.00 1.05 O ATOM 0 H VAL A 105 -12.731 -0.359 -6.787 1.00 0.43 H new ATOM 0 HA VAL A 105 -13.137 -1.932 -4.529 1.00 0.42 H new ATOM 0 HB VAL A 105 -13.991 0.387 -4.869 1.00 0.44 H new ATOM 0 HG11 VAL A 105 -16.082 0.704 -6.168 1.00 0.70 H new ATOM 0 HG12 VAL A 105 -14.782 0.070 -7.205 1.00 0.70 H new ATOM 0 HG13 VAL A 105 -16.064 -1.017 -6.620 1.00 0.70 H new ATOM 0 HG21 VAL A 105 -16.181 0.057 -3.751 1.00 0.55 H new ATOM 0 HG22 VAL A 105 -16.164 -1.659 -4.221 1.00 0.55 H new ATOM 0 HG23 VAL A 105 -14.953 -1.038 -3.075 1.00 0.55 H new TER 1630 VAL A 105