USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot 134:sc= 0.877 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.766 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= 1.2 (180deg=1.12) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 9 THR OG1 : rot 180:sc=0.000913 USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= 1.17 (180deg=0.338!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -160:sc= 0.175 USER MOD Single : A 25 ASN : amide:sc= 0.573 K(o=0.57,f=-0.23) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 1.98 (180deg=1.66) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= 1.07 (180deg=0.941) USER MOD Single : A 31 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.236 K(o=0.24,f=-1.8) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.613 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 1.15 K(o=1.2,f=-0.087) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 101:sc= 0.82 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.523 -4.474 -3.891 1.00 0.78 N ATOM 2 CA MET A 1 13.149 -5.097 -2.602 1.00 0.70 C ATOM 3 C MET A 1 11.708 -5.474 -2.539 1.00 0.62 C ATOM 4 O MET A 1 10.854 -4.953 -3.254 1.00 0.68 O ATOM 5 CB MET A 1 13.534 -4.140 -1.462 1.00 0.75 C ATOM 6 CG MET A 1 12.566 -3.004 -1.123 1.00 0.79 C ATOM 7 SD MET A 1 13.011 -2.208 0.450 1.00 1.10 S ATOM 8 CE MET A 1 11.619 -1.042 0.427 1.00 0.84 C ATOM 0 H1 MET A 1 14.517 -4.171 -3.855 1.00 0.78 H new ATOM 0 H2 MET A 1 13.399 -5.164 -4.659 1.00 0.78 H new ATOM 0 H3 MET A 1 12.916 -3.648 -4.067 1.00 0.78 H new ATOM 0 HA MET A 1 13.698 -6.033 -2.499 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.680 -4.735 -0.561 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.498 -3.695 -1.710 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.575 -2.264 -1.923 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.550 -3.395 -1.061 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.658 -0.412 1.315 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.682 -0.417 -0.464 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.680 -1.596 0.416 1.00 0.84 H new ATOM 20 N GLN A 2 11.398 -6.417 -1.632 1.00 0.59 N ATOM 21 CA GLN A 2 10.084 -6.967 -1.492 1.00 0.56 C ATOM 22 C GLN A 2 9.400 -6.218 -0.400 1.00 0.50 C ATOM 23 O GLN A 2 10.020 -5.818 0.584 1.00 0.60 O ATOM 24 CB GLN A 2 10.143 -8.457 -1.119 1.00 0.71 C ATOM 25 CG GLN A 2 8.894 -9.340 -1.173 1.00 1.15 C ATOM 26 CD GLN A 2 9.494 -10.738 -1.122 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.702 -11.271 -0.033 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.695 -11.333 -2.328 1.00 1.72 N ATOM 0 H GLN A 2 12.077 -6.808 -0.979 1.00 0.59 H new ATOM 0 HA GLN A 2 9.548 -6.878 -2.437 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.887 -8.918 -1.769 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.529 -8.515 -0.101 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.225 -9.152 -0.333 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.317 -9.176 -2.083 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.498 -10.822 -3.188 1.00 1.72 H new ATOM 0 HE22 GLN A 2 10.043 -12.291 -2.372 1.00 1.72 H new ATOM 37 N ILE A 3 8.104 -5.933 -0.613 1.00 0.44 N ATOM 38 CA ILE A 3 7.240 -5.360 0.372 1.00 0.42 C ATOM 39 C ILE A 3 5.985 -6.163 0.382 1.00 0.40 C ATOM 40 O ILE A 3 5.755 -6.988 -0.501 1.00 0.50 O ATOM 41 CB ILE A 3 6.871 -3.907 0.337 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.059 -3.408 -0.871 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.220 -3.199 0.542 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.298 -2.115 -0.585 1.00 0.72 C ATOM 0 H ILE A 3 7.640 -6.108 -1.504 1.00 0.44 H new ATOM 0 HA ILE A 3 7.856 -5.397 1.270 1.00 0.42 H new ATOM 0 HB ILE A 3 6.137 -3.680 1.111 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.732 -3.248 -1.713 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.351 -4.181 -1.171 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.069 -2.120 0.534 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.646 -3.499 1.499 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.902 -3.476 -0.262 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.745 -1.814 -1.475 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.602 -2.277 0.238 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.004 -1.330 -0.314 1.00 0.72 H new ATOM 56 N PHE A 4 5.118 -5.934 1.384 1.00 0.37 N ATOM 57 CA PHE A 4 3.890 -6.657 1.499 1.00 0.38 C ATOM 58 C PHE A 4 2.722 -5.779 1.787 1.00 0.39 C ATOM 59 O PHE A 4 2.764 -4.893 2.639 1.00 0.60 O ATOM 60 CB PHE A 4 4.048 -7.649 2.664 1.00 0.45 C ATOM 61 CG PHE A 4 5.166 -8.625 2.538 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.376 -9.326 1.373 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.108 -8.746 3.532 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.343 -10.298 1.275 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.099 -9.699 3.485 1.00 1.40 C ATOM 66 CZ PHE A 4 7.191 -10.460 2.345 1.00 0.85 C ATOM 0 H PHE A 4 5.269 -5.243 2.119 1.00 0.37 H new ATOM 0 HA PHE A 4 3.696 -7.150 0.546 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.189 -7.081 3.583 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.116 -8.204 2.772 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.764 -9.106 0.511 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.069 -8.072 4.375 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.433 -10.911 0.391 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.778 -9.843 4.312 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.960 -11.216 2.287 1.00 0.85 H new ATOM 76 N VAL A 5 1.541 -6.071 1.212 1.00 0.35 N ATOM 77 CA VAL A 5 0.347 -5.415 1.650 1.00 0.35 C ATOM 78 C VAL A 5 -0.625 -6.409 2.188 1.00 0.35 C ATOM 79 O VAL A 5 -0.859 -7.497 1.664 1.00 0.46 O ATOM 80 CB VAL A 5 -0.327 -4.739 0.494 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.488 -3.880 1.025 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.698 -3.913 -0.301 1.00 0.56 C ATOM 0 H VAL A 5 1.413 -6.747 0.459 1.00 0.35 H new ATOM 0 HA VAL A 5 0.633 -4.694 2.416 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.741 -5.477 -0.193 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.985 -3.384 0.191 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.203 -4.517 1.546 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.100 -3.130 1.714 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.201 -3.425 -1.139 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.139 -3.157 0.349 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.482 -4.570 -0.677 1.00 0.56 H new ATOM 92 N LYS A 6 -1.202 -6.071 3.354 1.00 0.36 N ATOM 93 CA LYS A 6 -2.187 -6.862 4.023 1.00 0.39 C ATOM 94 C LYS A 6 -3.548 -6.357 3.686 1.00 0.46 C ATOM 95 O LYS A 6 -3.648 -5.178 3.354 1.00 0.53 O ATOM 96 CB LYS A 6 -1.861 -6.699 5.518 1.00 0.54 C ATOM 97 CG LYS A 6 -0.697 -7.631 5.863 1.00 1.22 C ATOM 98 CD LYS A 6 -0.966 -9.136 5.926 1.00 1.37 C ATOM 99 CE LYS A 6 -1.749 -9.527 7.181 1.00 1.93 C ATOM 100 NZ LYS A 6 -1.631 -11.000 7.269 1.00 2.09 N ATOM 0 H LYS A 6 -0.973 -5.211 3.852 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.174 -7.912 3.731 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.597 -5.665 5.738 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.733 -6.941 6.125 1.00 0.54 H new ATOM 0 HG2 LYS A 6 0.091 -7.465 5.128 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.301 -7.323 6.831 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.524 -9.442 5.041 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -0.019 -9.675 5.907 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -1.337 -9.045 8.068 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -2.792 -9.219 7.106 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -2.144 -11.340 8.107 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -2.037 -11.432 6.415 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.628 -11.264 7.347 1.00 2.09 H new ATOM 114 N THR A 7 -4.527 -7.280 3.666 1.00 0.58 N ATOM 115 CA THR A 7 -5.916 -7.024 3.443 1.00 0.78 C ATOM 116 C THR A 7 -6.767 -7.067 4.666 1.00 0.94 C ATOM 117 O THR A 7 -6.226 -6.991 5.768 1.00 0.99 O ATOM 118 CB THR A 7 -6.474 -7.753 2.256 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.784 -9.097 2.592 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.590 -7.741 0.998 1.00 0.92 C ATOM 0 H THR A 7 -4.334 -8.270 3.816 1.00 0.58 H new ATOM 0 HA THR A 7 -5.959 -5.972 3.162 1.00 0.78 H new ATOM 0 HB THR A 7 -7.373 -7.194 1.997 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.148 -9.555 1.806 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.085 -8.295 0.200 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.426 -6.712 0.678 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.631 -8.208 1.223 1.00 0.92 H new ATOM 128 N LEU A 8 -8.103 -7.116 4.521 1.00 1.17 N ATOM 129 CA LEU A 8 -8.983 -7.203 5.646 1.00 1.39 C ATOM 130 C LEU A 8 -9.059 -8.549 6.278 1.00 1.44 C ATOM 131 O LEU A 8 -8.712 -8.729 7.445 1.00 1.60 O ATOM 132 CB LEU A 8 -10.374 -6.672 5.263 1.00 1.66 C ATOM 133 CG LEU A 8 -11.547 -6.876 6.237 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.329 -6.362 7.670 1.00 2.53 C ATOM 135 CD2 LEU A 8 -12.765 -6.178 5.611 1.00 2.43 C ATOM 0 H LEU A 8 -8.577 -7.095 3.618 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.550 -6.571 6.422 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.279 -5.601 5.083 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.651 -7.131 4.314 1.00 1.66 H new ATOM 0 HG LEU A 8 -11.678 -7.951 6.364 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -12.220 -6.559 8.267 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.475 -6.873 8.114 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.138 -5.289 7.647 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -13.628 -6.294 6.267 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -12.549 -5.118 5.480 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -12.983 -6.626 4.642 1.00 2.43 H new ATOM 147 N THR A 9 -9.443 -9.552 5.469 1.00 1.41 N ATOM 148 CA THR A 9 -9.557 -10.907 5.908 1.00 1.51 C ATOM 149 C THR A 9 -8.288 -11.627 6.206 1.00 1.37 C ATOM 150 O THR A 9 -8.269 -12.520 7.051 1.00 1.62 O ATOM 151 CB THR A 9 -10.285 -11.811 4.956 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.878 -11.626 3.608 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.781 -11.453 4.929 1.00 2.08 C ATOM 0 H THR A 9 -9.680 -9.418 4.486 1.00 1.41 H new ATOM 0 HA THR A 9 -10.113 -10.736 6.830 1.00 1.51 H new ATOM 0 HB THR A 9 -10.075 -12.822 5.304 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.379 -12.237 3.028 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.301 -12.114 4.236 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.202 -11.571 5.928 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.902 -10.419 4.605 1.00 2.08 H new ATOM 161 N GLY A 10 -7.246 -11.262 5.439 1.00 1.18 N ATOM 162 CA GLY A 10 -5.949 -11.782 5.747 1.00 1.22 C ATOM 163 C GLY A 10 -5.159 -12.272 4.583 1.00 0.99 C ATOM 164 O GLY A 10 -4.783 -13.442 4.600 1.00 1.31 O ATOM 0 H GLY A 10 -7.293 -10.633 4.637 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.376 -11.004 6.251 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.065 -12.602 6.456 1.00 1.22 H new ATOM 168 N LYS A 11 -4.859 -11.458 3.554 1.00 0.73 N ATOM 169 CA LYS A 11 -4.127 -11.906 2.411 1.00 0.60 C ATOM 170 C LYS A 11 -2.863 -11.119 2.343 1.00 0.51 C ATOM 171 O LYS A 11 -2.935 -9.900 2.490 1.00 0.63 O ATOM 172 CB LYS A 11 -4.961 -11.630 1.148 1.00 0.75 C ATOM 173 CG LYS A 11 -4.458 -12.180 -0.187 1.00 0.87 C ATOM 174 CD LYS A 11 -5.413 -11.930 -1.356 1.00 1.04 C ATOM 175 CE LYS A 11 -4.957 -12.433 -2.727 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.897 -12.228 -3.851 1.00 1.40 N ATOM 0 H LYS A 11 -5.129 -10.475 3.516 1.00 0.73 H new ATOM 0 HA LYS A 11 -3.912 -12.972 2.481 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -5.961 -12.029 1.316 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.062 -10.550 1.046 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.493 -11.728 -0.415 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.292 -13.253 -0.088 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.369 -12.397 -1.122 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.591 -10.857 -1.428 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -4.016 -11.942 -2.975 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.748 -13.500 -2.647 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.379 -12.284 -4.751 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.632 -12.964 -3.828 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.342 -11.292 -3.765 1.00 1.40 H new ATOM 190 N THR A 12 -1.702 -11.722 2.034 1.00 0.49 N ATOM 191 CA THR A 12 -0.485 -10.994 1.847 1.00 0.48 C ATOM 192 C THR A 12 -0.326 -10.887 0.369 1.00 0.52 C ATOM 193 O THR A 12 -0.216 -11.920 -0.289 1.00 0.72 O ATOM 194 CB THR A 12 0.725 -11.605 2.490 1.00 0.64 C ATOM 195 OG1 THR A 12 0.610 -11.449 3.897 1.00 0.77 O ATOM 196 CG2 THR A 12 2.082 -10.956 2.169 1.00 0.78 C ATOM 0 H THR A 12 -1.606 -12.730 1.912 1.00 0.49 H new ATOM 0 HA THR A 12 -0.557 -10.026 2.343 1.00 0.48 H new ATOM 0 HB THR A 12 0.731 -12.625 2.106 1.00 0.64 H new ATOM 0 HG1 THR A 12 1.392 -11.845 4.335 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.874 -11.490 2.694 1.00 0.78 H new ATOM 0 HG22 THR A 12 2.263 -11.003 1.095 1.00 0.78 H new ATOM 0 HG23 THR A 12 2.072 -9.914 2.490 1.00 0.78 H new ATOM 204 N ILE A 13 -0.339 -9.646 -0.150 1.00 0.48 N ATOM 205 CA ILE A 13 -0.084 -9.333 -1.521 1.00 0.55 C ATOM 206 C ILE A 13 1.354 -8.950 -1.600 1.00 0.51 C ATOM 207 O ILE A 13 1.792 -8.015 -0.932 1.00 0.56 O ATOM 208 CB ILE A 13 -0.857 -8.193 -2.118 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.341 -8.439 -1.803 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.610 -8.167 -3.635 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.304 -7.283 -2.072 1.00 1.55 C ATOM 0 H ILE A 13 -0.537 -8.821 0.415 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.385 -10.216 -2.084 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.548 -7.231 -1.709 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.673 -9.300 -2.383 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.424 -8.712 -0.751 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.167 -7.342 -4.080 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.454 -8.032 -3.828 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.942 -9.108 -4.074 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.318 -7.585 -1.809 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -3.015 -6.421 -1.471 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.268 -7.017 -3.129 1.00 1.55 H new ATOM 223 N THR A 14 2.145 -9.742 -2.347 1.00 0.55 N ATOM 224 CA THR A 14 3.552 -9.584 -2.539 1.00 0.54 C ATOM 225 C THR A 14 3.901 -8.601 -3.603 1.00 0.55 C ATOM 226 O THR A 14 3.453 -8.728 -4.740 1.00 0.72 O ATOM 227 CB THR A 14 4.419 -10.808 -2.556 1.00 0.67 C ATOM 228 OG1 THR A 14 3.964 -11.681 -1.532 1.00 1.08 O ATOM 229 CG2 THR A 14 5.862 -10.323 -2.338 1.00 1.03 C ATOM 0 H THR A 14 1.774 -10.548 -2.851 1.00 0.55 H new ATOM 0 HA THR A 14 3.832 -9.151 -1.579 1.00 0.54 H new ATOM 0 HB THR A 14 4.376 -11.362 -3.494 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.515 -12.491 -1.524 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.538 -11.178 -2.342 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.140 -9.637 -3.138 1.00 1.03 H new ATOM 0 HG23 THR A 14 5.932 -9.809 -1.379 1.00 1.03 H new ATOM 237 N LEU A 15 4.662 -7.532 -3.303 1.00 0.50 N ATOM 238 CA LEU A 15 4.978 -6.492 -4.232 1.00 0.55 C ATOM 239 C LEU A 15 6.448 -6.311 -4.396 1.00 0.52 C ATOM 240 O LEU A 15 7.174 -6.502 -3.421 1.00 0.58 O ATOM 241 CB LEU A 15 4.312 -5.143 -3.912 1.00 0.69 C ATOM 242 CG LEU A 15 2.777 -5.218 -3.841 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.979 -3.963 -3.452 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.246 -5.721 -5.194 1.00 1.55 C ATOM 0 H LEU A 15 5.072 -7.387 -2.380 1.00 0.50 H new ATOM 0 HA LEU A 15 4.558 -6.835 -5.177 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.694 -4.775 -2.960 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.598 -4.416 -4.673 1.00 0.69 H new ATOM 0 HG LEU A 15 2.610 -5.891 -3.000 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.914 -4.195 -3.452 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.279 -3.635 -2.457 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.177 -3.168 -4.171 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.158 -5.779 -5.159 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.547 -5.031 -5.982 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.656 -6.710 -5.401 1.00 1.55 H new ATOM 256 N GLU A 16 6.999 -6.008 -5.585 1.00 0.59 N ATOM 257 CA GLU A 16 8.367 -5.635 -5.773 1.00 0.63 C ATOM 258 C GLU A 16 8.326 -4.161 -5.982 1.00 0.65 C ATOM 259 O GLU A 16 7.483 -3.593 -6.677 1.00 0.81 O ATOM 260 CB GLU A 16 9.062 -6.245 -7.002 1.00 0.76 C ATOM 261 CG GLU A 16 9.120 -7.767 -6.853 1.00 1.41 C ATOM 262 CD GLU A 16 9.880 -8.382 -8.019 1.00 1.52 C ATOM 263 OE1 GLU A 16 9.267 -8.461 -9.116 1.00 1.92 O ATOM 264 OE2 GLU A 16 11.092 -8.690 -7.868 1.00 1.95 O ATOM 0 H GLU A 16 6.467 -6.024 -6.455 1.00 0.59 H new ATOM 0 HA GLU A 16 8.934 -5.989 -4.912 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.520 -5.978 -7.909 1.00 0.76 H new ATOM 0 HB3 GLU A 16 10.069 -5.840 -7.102 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.607 -8.029 -5.914 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.110 -8.174 -6.813 1.00 1.41 H new ATOM 271 N VAL A 17 9.333 -3.465 -5.423 1.00 0.61 N ATOM 272 CA VAL A 17 9.460 -2.041 -5.440 1.00 0.63 C ATOM 273 C VAL A 17 10.887 -1.728 -5.144 1.00 0.65 C ATOM 274 O VAL A 17 11.600 -2.530 -4.543 1.00 0.76 O ATOM 275 CB VAL A 17 8.653 -1.339 -4.389 1.00 0.70 C ATOM 276 CG1 VAL A 17 7.139 -1.391 -4.652 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.915 -2.018 -3.034 1.00 0.92 C ATOM 0 H VAL A 17 10.101 -3.923 -4.932 1.00 0.61 H new ATOM 0 HA VAL A 17 9.107 -1.701 -6.414 1.00 0.63 H new ATOM 0 HB VAL A 17 8.959 -0.293 -4.399 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.613 -0.865 -3.855 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.919 -0.915 -5.608 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.810 -2.430 -4.680 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.335 -1.518 -2.258 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.620 -3.066 -3.089 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.976 -1.952 -2.793 1.00 0.92 H new ATOM 287 N GLU A 18 11.298 -0.492 -5.479 1.00 0.68 N ATOM 288 CA GLU A 18 12.444 0.085 -4.847 1.00 0.74 C ATOM 289 C GLU A 18 11.940 1.108 -3.889 1.00 0.71 C ATOM 290 O GLU A 18 10.761 1.433 -4.023 1.00 0.74 O ATOM 291 CB GLU A 18 13.412 0.621 -5.916 1.00 0.88 C ATOM 292 CG GLU A 18 13.027 1.898 -6.667 1.00 1.16 C ATOM 293 CD GLU A 18 14.105 2.267 -7.676 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.173 2.715 -7.178 1.00 2.35 O ATOM 295 OE2 GLU A 18 13.751 2.301 -8.884 1.00 2.33 O ATOM 0 H GLU A 18 10.846 0.100 -6.176 1.00 0.68 H new ATOM 0 HA GLU A 18 13.029 -0.640 -4.281 1.00 0.74 H new ATOM 0 HB2 GLU A 18 14.375 0.795 -5.436 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.562 -0.167 -6.654 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.075 1.753 -7.179 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.887 2.715 -5.959 1.00 1.16 H new ATOM 302 N PRO A 19 12.634 1.608 -2.911 1.00 0.74 N ATOM 303 CA PRO A 19 11.993 2.551 -2.040 1.00 0.74 C ATOM 304 C PRO A 19 11.803 3.897 -2.650 1.00 0.70 C ATOM 305 O PRO A 19 11.270 4.771 -1.970 1.00 0.74 O ATOM 306 CB PRO A 19 12.979 2.547 -0.873 1.00 0.86 C ATOM 307 CG PRO A 19 14.358 2.302 -1.507 1.00 0.95 C ATOM 308 CD PRO A 19 14.019 1.284 -2.607 1.00 0.82 C ATOM 0 HA PRO A 19 10.969 2.292 -1.772 1.00 0.74 H new ATOM 0 HB2 PRO A 19 12.956 3.495 -0.336 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.733 1.767 -0.153 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.789 3.216 -1.914 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.074 1.904 -0.788 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.664 1.397 -3.478 1.00 0.82 H new ATOM 0 HD3 PRO A 19 14.130 0.257 -2.259 1.00 0.82 H new ATOM 316 N SER A 20 12.254 4.137 -3.894 1.00 0.70 N ATOM 317 CA SER A 20 11.895 5.367 -4.528 1.00 0.74 C ATOM 318 C SER A 20 10.644 5.327 -5.336 1.00 0.71 C ATOM 319 O SER A 20 10.281 6.332 -5.944 1.00 0.80 O ATOM 320 CB SER A 20 13.030 5.809 -5.469 1.00 0.89 C ATOM 321 OG SER A 20 14.289 6.112 -4.884 1.00 1.45 O ATOM 0 H SER A 20 12.842 3.510 -4.442 1.00 0.70 H new ATOM 0 HA SER A 20 11.723 6.062 -3.706 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.183 5.020 -6.205 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.691 6.691 -6.013 1.00 0.89 H new ATOM 0 HG SER A 20 14.920 6.376 -5.585 1.00 1.45 H new ATOM 327 N ASP A 21 9.988 4.158 -5.452 1.00 0.70 N ATOM 328 CA ASP A 21 8.672 3.979 -5.983 1.00 0.73 C ATOM 329 C ASP A 21 7.726 4.642 -5.043 1.00 0.64 C ATOM 330 O ASP A 21 7.845 4.667 -3.819 1.00 0.66 O ATOM 331 CB ASP A 21 8.308 2.521 -6.311 1.00 0.87 C ATOM 332 CG ASP A 21 8.854 1.995 -7.631 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.641 2.638 -8.693 1.00 1.69 O ATOM 334 OD2 ASP A 21 9.552 0.950 -7.534 1.00 1.50 O ATOM 0 H ASP A 21 10.407 3.277 -5.154 1.00 0.70 H new ATOM 0 HA ASP A 21 8.612 4.449 -6.965 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.673 1.883 -5.506 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.222 2.429 -6.324 1.00 0.87 H new ATOM 339 N THR A 22 6.853 5.455 -5.664 1.00 0.63 N ATOM 340 CA THR A 22 5.839 6.223 -5.008 1.00 0.58 C ATOM 341 C THR A 22 4.769 5.364 -4.428 1.00 0.53 C ATOM 342 O THR A 22 4.688 4.150 -4.610 1.00 0.58 O ATOM 343 CB THR A 22 5.238 7.304 -5.857 1.00 0.63 C ATOM 344 OG1 THR A 22 4.355 6.763 -6.829 1.00 0.70 O ATOM 345 CG2 THR A 22 6.366 8.001 -6.638 1.00 0.75 C ATOM 0 H THR A 22 6.854 5.583 -6.676 1.00 0.63 H new ATOM 0 HA THR A 22 6.364 6.725 -4.196 1.00 0.58 H new ATOM 0 HB THR A 22 4.700 7.986 -5.199 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.227 7.412 -7.552 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.944 8.790 -7.260 1.00 0.75 H new ATOM 0 HG22 THR A 22 7.080 8.434 -5.937 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.874 7.273 -7.270 1.00 0.75 H new ATOM 353 N ILE A 23 3.793 5.928 -3.693 1.00 0.51 N ATOM 354 CA ILE A 23 2.644 5.302 -3.117 1.00 0.48 C ATOM 355 C ILE A 23 1.672 5.026 -4.212 1.00 0.48 C ATOM 356 O ILE A 23 1.060 3.963 -4.298 1.00 0.51 O ATOM 357 CB ILE A 23 2.037 6.150 -2.039 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.082 6.348 -0.928 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.856 5.424 -1.375 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.656 5.078 -0.302 1.00 0.73 C ATOM 0 H ILE A 23 3.814 6.926 -3.483 1.00 0.51 H new ATOM 0 HA ILE A 23 2.934 4.367 -2.638 1.00 0.48 H new ATOM 0 HB ILE A 23 1.711 7.088 -2.489 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.908 6.931 -1.335 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.630 6.945 -0.136 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.431 6.057 -0.596 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.094 5.209 -2.124 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.205 4.490 -0.933 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.381 5.347 0.467 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.850 4.497 0.146 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.148 4.483 -1.072 1.00 0.73 H new ATOM 372 N GLU A 24 1.553 5.889 -5.237 1.00 0.50 N ATOM 373 CA GLU A 24 0.890 5.635 -6.478 1.00 0.53 C ATOM 374 C GLU A 24 1.351 4.423 -7.211 1.00 0.50 C ATOM 375 O GLU A 24 0.530 3.585 -7.581 1.00 0.55 O ATOM 376 CB GLU A 24 0.924 6.956 -7.263 1.00 0.64 C ATOM 377 CG GLU A 24 0.167 6.886 -8.590 1.00 0.95 C ATOM 378 CD GLU A 24 0.427 8.117 -9.447 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.624 8.449 -9.657 1.00 1.62 O ATOM 380 OE2 GLU A 24 -0.573 8.813 -9.771 1.00 1.56 O ATOM 0 H GLU A 24 1.948 6.829 -5.194 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.146 5.344 -6.302 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.495 7.748 -6.649 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.961 7.229 -7.457 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.469 5.992 -9.135 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.902 6.796 -8.396 1.00 0.95 H new ATOM 387 N ASN A 25 2.665 4.185 -7.369 1.00 0.51 N ATOM 388 CA ASN A 25 3.264 2.993 -7.886 1.00 0.52 C ATOM 389 C ASN A 25 2.873 1.773 -7.124 1.00 0.47 C ATOM 390 O ASN A 25 2.404 0.746 -7.610 1.00 0.53 O ATOM 391 CB ASN A 25 4.784 3.123 -8.078 1.00 0.64 C ATOM 392 CG ASN A 25 5.209 4.215 -9.049 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.441 4.868 -9.754 1.00 2.13 O ATOM 394 ND2 ASN A 25 6.555 4.405 -8.989 1.00 1.57 N ATOM 0 H ASN A 25 3.364 4.883 -7.114 1.00 0.51 H new ATOM 0 HA ASN A 25 2.852 2.860 -8.887 1.00 0.52 H new ATOM 0 HB2 ASN A 25 5.244 3.317 -7.109 1.00 0.64 H new ATOM 0 HB3 ASN A 25 5.175 2.169 -8.431 1.00 0.64 H new ATOM 0 HD21 ASN A 25 6.993 5.132 -9.555 1.00 1.57 H new ATOM 0 HD22 ASN A 25 7.126 3.821 -8.378 1.00 1.57 H new ATOM 401 N VAL A 26 2.745 1.919 -5.793 1.00 0.45 N ATOM 402 CA VAL A 26 2.336 0.800 -5.003 1.00 0.44 C ATOM 403 C VAL A 26 0.895 0.447 -5.138 1.00 0.40 C ATOM 404 O VAL A 26 0.568 -0.722 -5.336 1.00 0.44 O ATOM 405 CB VAL A 26 2.800 0.966 -3.586 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.133 -0.153 -2.769 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.316 0.704 -3.561 1.00 0.62 C ATOM 0 H VAL A 26 2.918 2.782 -5.277 1.00 0.45 H new ATOM 0 HA VAL A 26 2.835 -0.081 -5.407 1.00 0.44 H new ATOM 0 HB VAL A 26 2.562 1.956 -3.196 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.441 -0.075 -1.726 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.049 -0.056 -2.836 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.436 -1.122 -3.165 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.688 0.817 -2.543 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.516 -0.309 -3.910 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.820 1.419 -4.212 1.00 0.62 H new ATOM 417 N LYS A 27 -0.029 1.422 -5.214 1.00 0.40 N ATOM 418 CA LYS A 27 -1.419 1.172 -5.431 1.00 0.41 C ATOM 419 C LYS A 27 -1.820 0.592 -6.744 1.00 0.38 C ATOM 420 O LYS A 27 -2.771 -0.176 -6.875 1.00 0.42 O ATOM 421 CB LYS A 27 -2.231 2.432 -5.086 1.00 0.51 C ATOM 422 CG LYS A 27 -2.101 2.929 -3.645 1.00 0.76 C ATOM 423 CD LYS A 27 -3.179 3.955 -3.286 1.00 0.82 C ATOM 424 CE LYS A 27 -2.940 5.305 -3.963 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.035 6.191 -3.508 1.00 1.11 N ATOM 0 H LYS A 27 0.198 2.412 -5.122 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.656 0.355 -4.749 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.925 3.235 -5.757 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.283 2.231 -5.288 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.168 2.081 -2.963 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.116 3.375 -3.504 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -4.156 3.571 -3.580 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.202 4.092 -2.205 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -1.968 5.713 -3.686 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.946 5.203 -5.048 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.780 7.182 -3.694 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.908 5.956 -4.022 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.188 6.058 -2.488 1.00 1.11 H new ATOM 439 N ALA A 28 -1.027 1.025 -7.739 1.00 0.39 N ATOM 440 CA ALA A 28 -1.127 0.495 -9.064 1.00 0.39 C ATOM 441 C ALA A 28 -0.596 -0.896 -9.116 1.00 0.36 C ATOM 442 O ALA A 28 -1.126 -1.625 -9.954 1.00 0.42 O ATOM 443 CB ALA A 28 -0.259 1.334 -10.016 1.00 0.51 C ATOM 0 H ALA A 28 -0.313 1.745 -7.626 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.178 0.514 -9.353 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.334 0.932 -11.026 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.607 2.367 -10.010 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.780 1.299 -9.687 1.00 0.51 H new ATOM 449 N LYS A 29 0.295 -1.365 -8.224 1.00 0.39 N ATOM 450 CA LYS A 29 0.635 -2.750 -8.116 1.00 0.43 C ATOM 451 C LYS A 29 -0.410 -3.569 -7.439 1.00 0.44 C ATOM 452 O LYS A 29 -0.671 -4.731 -7.745 1.00 0.54 O ATOM 453 CB LYS A 29 1.984 -2.902 -7.394 1.00 0.54 C ATOM 454 CG LYS A 29 3.164 -2.417 -8.238 1.00 0.65 C ATOM 455 CD LYS A 29 4.432 -2.106 -7.443 1.00 1.08 C ATOM 456 CE LYS A 29 5.596 -1.442 -8.183 1.00 1.24 C ATOM 457 NZ LYS A 29 6.341 -2.455 -8.964 1.00 1.44 N ATOM 0 H LYS A 29 0.791 -0.768 -7.562 1.00 0.39 H new ATOM 0 HA LYS A 29 0.709 -3.134 -9.134 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.956 -2.341 -6.460 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.136 -3.949 -7.133 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.396 -3.177 -8.984 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.862 -1.521 -8.780 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.154 -1.461 -6.609 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.797 -3.040 -7.016 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.220 -0.663 -8.847 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.263 -0.958 -7.470 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.995 -1.978 -9.617 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.881 -3.064 -8.317 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.671 -3.036 -9.508 1.00 1.44 H new ATOM 471 N ILE A 30 -1.159 -2.933 -6.521 1.00 0.41 N ATOM 472 CA ILE A 30 -2.305 -3.571 -5.952 1.00 0.44 C ATOM 473 C ILE A 30 -3.353 -3.770 -6.993 1.00 0.45 C ATOM 474 O ILE A 30 -3.900 -4.857 -7.173 1.00 0.56 O ATOM 475 CB ILE A 30 -2.842 -2.891 -4.728 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.732 -2.975 -3.667 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.115 -3.605 -4.243 1.00 0.56 C ATOM 478 CD1 ILE A 30 -2.001 -1.985 -2.535 1.00 1.32 C ATOM 0 H ILE A 30 -0.975 -1.991 -6.176 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.974 -4.546 -5.595 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.111 -1.854 -4.930 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.678 -3.988 -3.268 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.766 -2.761 -4.124 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.497 -3.104 -3.354 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.870 -3.576 -5.029 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.881 -4.642 -4.002 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.206 -2.057 -1.792 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.032 -0.972 -2.937 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.957 -2.219 -2.067 1.00 1.32 H new ATOM 490 N GLN A 31 -3.618 -2.792 -7.877 1.00 0.41 N ATOM 491 CA GLN A 31 -4.565 -2.926 -8.940 1.00 0.48 C ATOM 492 C GLN A 31 -4.361 -4.020 -9.932 1.00 0.52 C ATOM 493 O GLN A 31 -5.289 -4.697 -10.371 1.00 0.66 O ATOM 494 CB GLN A 31 -4.762 -1.601 -9.696 1.00 0.52 C ATOM 495 CG GLN A 31 -5.904 -1.522 -10.712 1.00 0.70 C ATOM 496 CD GLN A 31 -6.008 -0.095 -11.235 1.00 0.97 C ATOM 497 OE1 GLN A 31 -7.133 0.397 -11.300 1.00 1.70 O ATOM 498 NE2 GLN A 31 -4.862 0.440 -11.734 1.00 1.43 N ATOM 0 H GLN A 31 -3.160 -1.881 -7.852 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.458 -3.221 -8.389 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.915 -0.814 -8.958 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.833 -1.372 -10.218 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.723 -2.212 -11.536 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.843 -1.821 -10.246 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -3.977 -0.056 -11.623 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -4.887 1.337 -12.219 1.00 1.43 H new ATOM 507 N ASP A 32 -3.097 -4.284 -10.305 1.00 0.50 N ATOM 508 CA ASP A 32 -2.814 -5.419 -11.128 1.00 0.60 C ATOM 509 C ASP A 32 -3.184 -6.756 -10.586 1.00 0.65 C ATOM 510 O ASP A 32 -3.662 -7.669 -11.257 1.00 0.81 O ATOM 511 CB ASP A 32 -1.307 -5.596 -11.379 1.00 0.67 C ATOM 512 CG ASP A 32 -0.853 -6.363 -12.614 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.240 -5.890 -13.715 1.00 1.51 O ATOM 514 OD2 ASP A 32 -0.148 -7.391 -12.435 1.00 1.55 O ATOM 0 H ASP A 32 -2.285 -3.725 -10.044 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.415 -5.172 -12.003 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.861 -4.602 -11.426 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.884 -6.095 -10.507 1.00 0.67 H new ATOM 519 N LYS A 33 -3.110 -6.951 -9.257 1.00 0.62 N ATOM 520 CA LYS A 33 -3.311 -8.179 -8.552 1.00 0.73 C ATOM 521 C LYS A 33 -4.750 -8.335 -8.200 1.00 0.69 C ATOM 522 O LYS A 33 -5.310 -9.427 -8.287 1.00 0.83 O ATOM 523 CB LYS A 33 -2.418 -7.907 -7.329 1.00 0.85 C ATOM 524 CG LYS A 33 -0.900 -7.964 -7.518 1.00 1.31 C ATOM 525 CD LYS A 33 -0.398 -9.384 -7.791 1.00 1.71 C ATOM 526 CE LYS A 33 1.091 -9.404 -7.443 1.00 2.26 C ATOM 527 NZ LYS A 33 1.550 -10.811 -7.425 1.00 2.62 N ATOM 0 H LYS A 33 -2.891 -6.182 -8.623 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.069 -9.099 -9.084 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.669 -6.918 -6.946 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.685 -8.626 -6.555 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.615 -7.316 -8.347 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.411 -7.574 -6.625 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.945 -10.109 -7.189 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.554 -9.655 -8.835 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.659 -8.830 -8.175 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.259 -8.938 -6.472 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.562 -10.843 -7.190 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.012 -11.343 -6.711 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.399 -11.237 -8.361 1.00 2.62 H new ATOM 541 N GLU A 34 -5.337 -7.271 -7.622 1.00 0.63 N ATOM 542 CA GLU A 34 -6.595 -7.291 -6.944 1.00 0.67 C ATOM 543 C GLU A 34 -7.673 -6.530 -7.636 1.00 0.69 C ATOM 544 O GLU A 34 -8.865 -6.656 -7.363 1.00 0.95 O ATOM 545 CB GLU A 34 -6.432 -6.864 -5.476 1.00 0.73 C ATOM 546 CG GLU A 34 -5.300 -7.587 -4.743 1.00 0.83 C ATOM 547 CD GLU A 34 -5.518 -9.087 -4.609 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.627 -9.620 -4.338 1.00 1.37 O ATOM 549 OE2 GLU A 34 -4.507 -9.830 -4.730 1.00 1.48 O ATOM 0 H GLU A 34 -4.908 -6.345 -7.629 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.934 -8.327 -6.965 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.249 -5.790 -5.438 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.368 -7.046 -4.948 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.364 -7.411 -5.274 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.189 -7.155 -3.749 1.00 0.83 H new ATOM 556 N GLY A 35 -7.307 -5.613 -8.549 1.00 0.63 N ATOM 557 CA GLY A 35 -8.199 -4.978 -9.469 1.00 0.68 C ATOM 558 C GLY A 35 -8.887 -3.779 -8.913 1.00 0.76 C ATOM 559 O GLY A 35 -9.747 -3.185 -9.563 1.00 1.12 O ATOM 0 H GLY A 35 -6.342 -5.299 -8.651 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.640 -4.685 -10.358 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.950 -5.700 -9.789 1.00 0.68 H new ATOM 563 N ILE A 36 -8.473 -3.310 -7.722 1.00 0.70 N ATOM 564 CA ILE A 36 -9.070 -2.218 -7.018 1.00 0.76 C ATOM 565 C ILE A 36 -8.600 -0.897 -7.523 1.00 0.71 C ATOM 566 O ILE A 36 -7.425 -0.791 -7.874 1.00 0.73 O ATOM 567 CB ILE A 36 -8.720 -2.263 -5.560 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.979 -3.668 -4.992 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.415 -1.147 -4.761 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.723 -3.849 -3.496 1.00 1.16 C ATOM 0 H ILE A 36 -7.680 -3.715 -7.224 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.144 -2.321 -7.174 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.653 -2.065 -5.456 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.016 -3.935 -5.197 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.354 -4.377 -5.535 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.131 -1.220 -3.711 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.111 -0.176 -5.152 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.496 -1.253 -4.853 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.940 -4.879 -3.212 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.680 -3.624 -3.276 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -9.367 -3.174 -2.932 1.00 1.16 H new ATOM 582 N PRO A 37 -9.415 0.082 -7.783 1.00 0.75 N ATOM 583 CA PRO A 37 -8.852 1.304 -8.278 1.00 0.79 C ATOM 584 C PRO A 37 -8.045 2.043 -7.268 1.00 0.75 C ATOM 585 O PRO A 37 -8.382 1.993 -6.086 1.00 0.75 O ATOM 586 CB PRO A 37 -10.045 2.129 -8.757 1.00 0.95 C ATOM 587 CG PRO A 37 -11.043 1.072 -9.256 1.00 1.02 C ATOM 588 CD PRO A 37 -10.746 -0.121 -8.334 1.00 0.85 C ATOM 0 HA PRO A 37 -8.141 1.097 -9.077 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.467 2.729 -7.950 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.761 2.819 -9.552 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.075 1.411 -9.163 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.882 0.825 -10.305 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.487 -0.185 -7.537 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.794 -1.058 -8.889 1.00 0.85 H new ATOM 596 N PRO A 38 -7.018 2.783 -7.568 1.00 0.81 N ATOM 597 CA PRO A 38 -6.095 3.360 -6.633 1.00 0.85 C ATOM 598 C PRO A 38 -6.638 4.479 -5.814 1.00 0.89 C ATOM 599 O PRO A 38 -6.093 4.763 -4.749 1.00 0.99 O ATOM 600 CB PRO A 38 -4.942 3.903 -7.474 1.00 1.01 C ATOM 601 CG PRO A 38 -5.571 4.132 -8.857 1.00 1.25 C ATOM 602 CD PRO A 38 -6.593 2.989 -8.944 1.00 0.98 C ATOM 0 HA PRO A 38 -5.818 2.586 -5.917 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.545 4.829 -7.057 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.115 3.195 -7.523 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -6.047 5.110 -8.931 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.830 4.077 -9.655 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.434 3.255 -9.585 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.146 2.087 -9.362 1.00 0.98 H new ATOM 610 N ASP A 39 -7.669 5.190 -6.305 1.00 0.96 N ATOM 611 CA ASP A 39 -8.408 6.237 -5.669 1.00 1.11 C ATOM 612 C ASP A 39 -9.286 5.768 -4.560 1.00 1.00 C ATOM 613 O ASP A 39 -9.570 6.478 -3.597 1.00 1.14 O ATOM 614 CB ASP A 39 -9.289 6.943 -6.711 1.00 1.39 C ATOM 615 CG ASP A 39 -8.385 7.744 -7.639 1.00 1.73 C ATOM 616 OD1 ASP A 39 -7.370 8.371 -7.231 1.00 2.25 O ATOM 617 OD2 ASP A 39 -8.612 7.778 -8.877 1.00 2.23 O ATOM 0 H ASP A 39 -8.019 5.011 -7.246 1.00 0.96 H new ATOM 0 HA ASP A 39 -7.668 6.909 -5.235 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -9.864 6.212 -7.279 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.006 7.600 -6.219 1.00 1.39 H new ATOM 622 N GLN A 40 -9.696 4.493 -4.687 1.00 0.87 N ATOM 623 CA GLN A 40 -10.500 3.743 -3.772 1.00 0.84 C ATOM 624 C GLN A 40 -9.639 3.000 -2.810 1.00 0.67 C ATOM 625 O GLN A 40 -10.133 2.362 -1.880 1.00 0.80 O ATOM 626 CB GLN A 40 -11.490 2.817 -4.499 1.00 0.95 C ATOM 627 CG GLN A 40 -12.782 3.401 -5.073 1.00 1.32 C ATOM 628 CD GLN A 40 -13.589 2.596 -6.081 1.00 1.48 C ATOM 629 OE1 GLN A 40 -14.278 1.677 -5.642 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.644 3.020 -7.372 1.00 2.02 N ATOM 0 H GLN A 40 -9.441 3.939 -5.504 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.106 4.447 -3.202 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.952 2.343 -5.320 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.770 2.026 -3.803 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.440 3.625 -4.233 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.530 4.352 -5.542 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.049 3.788 -7.682 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.280 2.570 -8.030 1.00 2.02 H new ATOM 639 N GLN A 41 -8.302 3.078 -2.927 1.00 0.56 N ATOM 640 CA GLN A 41 -7.458 2.356 -2.026 1.00 0.51 C ATOM 641 C GLN A 41 -6.935 3.276 -0.977 1.00 0.49 C ATOM 642 O GLN A 41 -6.516 4.367 -1.361 1.00 0.65 O ATOM 643 CB GLN A 41 -6.276 1.703 -2.761 1.00 0.67 C ATOM 644 CG GLN A 41 -6.701 0.573 -3.702 1.00 0.69 C ATOM 645 CD GLN A 41 -5.436 0.212 -4.466 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.390 0.026 -3.848 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.406 0.191 -5.827 1.00 0.61 N ATOM 0 H GLN A 41 -7.812 3.630 -3.631 1.00 0.56 H new ATOM 0 HA GLN A 41 -8.057 1.568 -1.569 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.747 2.465 -3.334 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.572 1.311 -2.027 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.086 -0.282 -3.146 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.493 0.897 -4.377 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.263 0.343 -6.358 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.526 0.023 -6.315 1.00 0.61 H new ATOM 656 N ARG A 42 -6.910 2.948 0.327 1.00 0.47 N ATOM 657 CA ARG A 42 -6.314 3.693 1.392 1.00 0.55 C ATOM 658 C ARG A 42 -5.226 2.899 2.029 1.00 0.46 C ATOM 659 O ARG A 42 -5.533 1.828 2.548 1.00 0.52 O ATOM 660 CB ARG A 42 -7.280 4.087 2.521 1.00 0.73 C ATOM 661 CG ARG A 42 -8.326 5.065 1.984 1.00 1.04 C ATOM 662 CD ARG A 42 -9.242 5.647 3.063 1.00 1.28 C ATOM 663 NE ARG A 42 -10.386 4.746 3.377 1.00 1.69 N ATOM 664 CZ ARG A 42 -11.387 5.216 4.178 1.00 2.19 C ATOM 665 NH1 ARG A 42 -11.415 6.501 4.635 1.00 2.34 N ATOM 666 NH2 ARG A 42 -12.432 4.375 4.436 1.00 2.78 N ATOM 0 H ARG A 42 -7.344 2.088 0.663 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.954 4.605 0.915 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.769 3.199 2.921 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.728 4.544 3.342 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.817 5.883 1.474 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.937 4.556 1.239 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.664 5.827 3.969 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -9.623 6.613 2.731 1.00 1.28 H new ATOM 0 HE ARG A 42 -10.421 3.798 3.002 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.670 7.149 4.380 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -12.181 6.813 5.232 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -12.443 3.437 4.035 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -13.202 4.685 5.029 1.00 2.78 H new ATOM 680 N LEU A 43 -3.944 3.300 1.949 1.00 0.46 N ATOM 681 CA LEU A 43 -2.869 2.526 2.490 1.00 0.42 C ATOM 682 C LEU A 43 -2.444 3.073 3.809 1.00 0.43 C ATOM 683 O LEU A 43 -2.269 4.286 3.903 1.00 0.55 O ATOM 684 CB LEU A 43 -1.629 2.464 1.582 1.00 0.55 C ATOM 685 CG LEU A 43 -1.734 1.630 0.293 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.546 1.917 -0.640 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.794 0.121 0.584 1.00 1.12 C ATOM 0 H LEU A 43 -3.650 4.170 1.505 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.265 1.515 2.587 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.365 3.484 1.302 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.800 2.071 2.171 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.664 1.923 -0.194 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.641 1.317 -1.545 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.539 2.974 -0.905 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.385 1.664 -0.132 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.868 -0.428 -0.355 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.891 -0.184 1.113 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.666 -0.096 1.201 1.00 1.12 H new ATOM 699 N ILE A 44 -2.353 2.211 4.838 1.00 0.42 N ATOM 700 CA ILE A 44 -1.925 2.537 6.162 1.00 0.46 C ATOM 701 C ILE A 44 -0.601 1.899 6.405 1.00 0.42 C ATOM 702 O ILE A 44 -0.433 0.724 6.083 1.00 0.53 O ATOM 703 CB ILE A 44 -2.923 2.134 7.206 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.326 2.667 6.864 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.445 2.576 8.599 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.565 4.176 6.862 1.00 1.27 C ATOM 0 H ILE A 44 -2.594 1.225 4.737 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.836 3.620 6.241 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.001 1.047 7.221 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.589 2.291 5.875 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -5.028 2.224 7.571 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.179 2.277 9.347 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.487 2.105 8.821 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.329 3.660 8.617 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.604 4.380 6.601 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.354 4.579 7.852 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.908 4.647 6.131 1.00 1.27 H new ATOM 718 N PHE A 45 0.399 2.675 6.859 1.00 0.42 N ATOM 719 CA PHE A 45 1.635 2.118 7.313 1.00 0.46 C ATOM 720 C PHE A 45 1.676 2.287 8.792 1.00 0.68 C ATOM 721 O PHE A 45 1.865 3.372 9.340 1.00 1.50 O ATOM 722 CB PHE A 45 2.868 2.728 6.626 1.00 0.56 C ATOM 723 CG PHE A 45 4.192 2.112 6.923 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.386 0.785 6.619 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.292 2.836 7.319 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.589 0.157 6.838 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.451 2.204 7.705 1.00 1.33 C ATOM 728 CZ PHE A 45 6.602 0.863 7.445 1.00 1.02 C ATOM 0 H PHE A 45 0.351 3.693 6.912 1.00 0.42 H new ATOM 0 HA PHE A 45 1.676 1.062 7.045 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.710 2.684 5.548 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.918 3.782 6.898 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.569 0.219 6.196 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.245 3.915 7.327 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.736 -0.870 6.539 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.233 2.755 8.206 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.519 0.362 7.718 1.00 1.02 H new ATOM 738 N ALA A 46 1.417 1.221 9.571 1.00 0.81 N ATOM 739 CA ALA A 46 1.292 1.272 10.994 1.00 0.96 C ATOM 740 C ALA A 46 0.153 2.040 11.571 1.00 0.97 C ATOM 741 O ALA A 46 -0.795 1.545 12.180 1.00 1.21 O ATOM 742 CB ALA A 46 2.682 1.534 11.599 1.00 1.20 C ATOM 0 H ALA A 46 1.289 0.283 9.192 1.00 0.81 H new ATOM 0 HA ALA A 46 0.950 0.290 11.319 1.00 0.96 H new ATOM 0 HB1 ALA A 46 2.604 1.576 12.685 1.00 1.20 H new ATOM 0 HB2 ALA A 46 3.360 0.729 11.315 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.068 2.483 11.226 1.00 1.20 H new ATOM 748 N GLY A 47 0.135 3.364 11.335 1.00 0.99 N ATOM 749 CA GLY A 47 -0.902 4.202 11.853 1.00 1.10 C ATOM 750 C GLY A 47 -0.962 5.512 11.148 1.00 1.03 C ATOM 751 O GLY A 47 -1.909 6.255 11.403 1.00 1.30 O ATOM 0 H GLY A 47 0.840 3.855 10.785 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.861 3.694 11.757 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.736 4.370 12.917 1.00 1.10 H new ATOM 755 N LYS A 48 0.009 5.754 10.250 1.00 0.98 N ATOM 756 CA LYS A 48 0.043 6.893 9.385 1.00 1.05 C ATOM 757 C LYS A 48 -0.556 6.488 8.083 1.00 0.84 C ATOM 758 O LYS A 48 -0.449 5.318 7.718 1.00 0.81 O ATOM 759 CB LYS A 48 1.522 7.219 9.115 1.00 1.42 C ATOM 760 CG LYS A 48 2.127 8.011 10.276 1.00 1.61 C ATOM 761 CD LYS A 48 3.322 8.851 9.824 1.00 1.87 C ATOM 762 CE LYS A 48 4.523 7.963 9.491 1.00 2.22 C ATOM 763 NZ LYS A 48 5.649 8.917 9.393 1.00 2.55 N ATOM 0 H LYS A 48 0.805 5.129 10.121 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.486 7.739 9.825 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.082 6.295 8.969 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.610 7.794 8.193 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.367 8.662 10.708 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.441 7.323 11.061 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.047 9.440 8.949 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.593 9.556 10.610 1.00 1.87 H new ATOM 0 HE2 LYS A 48 4.697 7.217 10.267 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.374 7.422 8.556 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 6.523 8.401 9.166 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.452 9.610 8.643 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 5.765 9.412 10.300 1.00 2.55 H new ATOM 777 N GLN A 49 -1.304 7.408 7.449 1.00 0.84 N ATOM 778 CA GLN A 49 -1.836 7.198 6.138 1.00 0.80 C ATOM 779 C GLN A 49 -0.930 7.747 5.090 1.00 0.72 C ATOM 780 O GLN A 49 -0.196 8.727 5.211 1.00 0.83 O ATOM 781 CB GLN A 49 -3.308 7.613 5.967 1.00 1.03 C ATOM 782 CG GLN A 49 -3.543 9.125 5.927 1.00 1.67 C ATOM 783 CD GLN A 49 -5.007 9.538 5.928 1.00 1.92 C ATOM 784 OE1 GLN A 49 -5.985 8.832 6.173 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.211 10.862 5.693 1.00 2.48 N ATOM 0 H GLN A 49 -1.544 8.313 7.853 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.868 6.118 5.997 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.691 7.175 5.045 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.889 7.190 6.787 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.050 9.579 6.787 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -3.065 9.530 5.035 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.419 11.471 5.487 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.156 11.246 5.722 1.00 2.48 H new ATOM 794 N LEU A 50 -0.790 7.104 3.917 1.00 0.69 N ATOM 795 CA LEU A 50 0.226 7.380 2.950 1.00 0.66 C ATOM 796 C LEU A 50 -0.332 8.331 1.946 1.00 0.72 C ATOM 797 O LEU A 50 -1.406 8.181 1.367 1.00 0.90 O ATOM 798 CB LEU A 50 0.644 6.026 2.351 1.00 0.65 C ATOM 799 CG LEU A 50 1.209 5.029 3.377 1.00 0.64 C ATOM 800 CD1 LEU A 50 1.506 3.638 2.792 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.498 5.577 4.013 1.00 0.74 C ATOM 0 H LEU A 50 -1.418 6.353 3.629 1.00 0.69 H new ATOM 0 HA LEU A 50 1.112 7.855 3.371 1.00 0.66 H new ATOM 0 HB2 LEU A 50 -0.220 5.576 1.862 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.394 6.199 1.579 1.00 0.65 H new ATOM 0 HG LEU A 50 0.425 4.911 4.125 1.00 0.64 H new ATOM 0 HD11 LEU A 50 1.901 2.991 3.575 1.00 0.77 H new ATOM 0 HD12 LEU A 50 0.587 3.207 2.394 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.240 3.729 1.992 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.882 4.857 4.736 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.244 5.744 3.236 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.283 6.519 4.518 1.00 0.74 H new ATOM 813 N GLU A 51 0.461 9.382 1.670 1.00 0.70 N ATOM 814 CA GLU A 51 0.206 10.372 0.670 1.00 0.76 C ATOM 815 C GLU A 51 0.683 9.872 -0.651 1.00 0.77 C ATOM 816 O GLU A 51 1.811 9.406 -0.811 1.00 1.23 O ATOM 817 CB GLU A 51 0.806 11.740 1.031 1.00 0.88 C ATOM 818 CG GLU A 51 0.137 12.626 2.083 1.00 1.35 C ATOM 819 CD GLU A 51 0.544 14.088 1.968 1.00 1.46 C ATOM 820 OE1 GLU A 51 1.726 14.458 1.734 1.00 1.94 O ATOM 821 OE2 GLU A 51 -0.392 14.899 2.196 1.00 1.89 O ATOM 0 H GLU A 51 1.331 9.550 2.175 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.870 10.538 0.612 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.830 11.566 1.361 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.862 12.320 0.110 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.946 12.546 1.984 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.394 12.259 3.077 1.00 1.35 H new ATOM 828 N ASP A 52 -0.058 10.095 -1.750 1.00 0.66 N ATOM 829 CA ASP A 52 0.141 9.558 -3.061 1.00 0.65 C ATOM 830 C ASP A 52 1.384 9.888 -3.813 1.00 0.60 C ATOM 831 O ASP A 52 2.115 8.963 -4.164 1.00 0.62 O ATOM 832 CB ASP A 52 -0.931 10.227 -3.938 1.00 0.81 C ATOM 833 CG ASP A 52 -2.232 9.831 -3.256 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.654 10.586 -2.341 1.00 1.56 O ATOM 835 OD2 ASP A 52 -2.854 8.803 -3.635 1.00 1.44 O ATOM 0 H ASP A 52 -0.872 10.709 -1.716 1.00 0.66 H new ATOM 0 HA ASP A 52 0.143 8.481 -2.895 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -0.807 11.309 -3.971 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.890 9.870 -4.967 1.00 0.81 H new ATOM 840 N GLY A 53 1.864 11.131 -3.992 1.00 0.68 N ATOM 841 CA GLY A 53 3.127 11.328 -4.634 1.00 0.73 C ATOM 842 C GLY A 53 4.428 11.255 -3.913 1.00 0.72 C ATOM 843 O GLY A 53 5.465 11.622 -4.462 1.00 0.97 O ATOM 0 H GLY A 53 1.389 11.985 -3.699 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.180 10.597 -5.441 1.00 0.73 H new ATOM 0 HA3 GLY A 53 3.087 12.313 -5.098 1.00 0.73 H new ATOM 847 N ARG A 54 4.390 10.799 -2.648 1.00 0.64 N ATOM 848 CA ARG A 54 5.586 10.456 -1.944 1.00 0.63 C ATOM 849 C ARG A 54 6.143 9.127 -2.325 1.00 0.59 C ATOM 850 O ARG A 54 5.432 8.262 -2.835 1.00 0.62 O ATOM 851 CB ARG A 54 5.507 10.519 -0.409 1.00 0.69 C ATOM 852 CG ARG A 54 4.568 11.642 0.033 1.00 0.82 C ATOM 853 CD ARG A 54 4.965 12.034 1.458 1.00 1.18 C ATOM 854 NE ARG A 54 4.288 13.341 1.689 1.00 1.50 N ATOM 855 CZ ARG A 54 4.886 14.328 2.418 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.087 14.158 3.043 1.00 2.48 N ATOM 857 NH2 ARG A 54 4.111 15.418 2.686 1.00 2.49 N ATOM 0 H ARG A 54 3.531 10.668 -2.113 1.00 0.64 H new ATOM 0 HA ARG A 54 6.256 11.252 -2.269 1.00 0.63 H new ATOM 0 HB2 ARG A 54 5.153 9.565 -0.018 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.501 10.684 0.006 1.00 0.69 H new ATOM 0 HG2 ARG A 54 4.650 12.497 -0.638 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.530 11.310 0.001 1.00 0.82 H new ATOM 0 HD2 ARG A 54 4.640 11.286 2.181 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.047 12.124 1.558 1.00 1.18 H new ATOM 0 HE ARG A 54 3.361 13.501 1.295 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.575 13.265 2.976 1.00 2.48 H new ATOM 0 HH12 ARG A 54 6.497 14.924 3.577 1.00 2.48 H new ATOM 0 HH21 ARG A 54 3.150 15.457 2.346 1.00 2.49 H new ATOM 0 HH22 ARG A 54 4.492 16.195 3.226 1.00 2.49 H new ATOM 871 N THR A 55 7.434 8.934 -2.004 1.00 0.63 N ATOM 872 CA THR A 55 8.089 7.664 -1.967 1.00 0.61 C ATOM 873 C THR A 55 8.076 6.882 -0.698 1.00 0.59 C ATOM 874 O THR A 55 7.740 7.311 0.405 1.00 0.64 O ATOM 875 CB THR A 55 9.562 7.822 -2.209 1.00 0.68 C ATOM 876 OG1 THR A 55 10.211 8.623 -1.233 1.00 0.75 O ATOM 877 CG2 THR A 55 9.815 8.429 -3.599 1.00 0.76 C ATOM 0 H THR A 55 8.054 9.706 -1.757 1.00 0.63 H new ATOM 0 HA THR A 55 7.506 7.133 -2.719 1.00 0.61 H new ATOM 0 HB THR A 55 9.984 6.819 -2.144 1.00 0.68 H new ATOM 0 HG1 THR A 55 11.039 8.183 -0.947 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.888 8.537 -3.759 1.00 0.76 H new ATOM 0 HG22 THR A 55 9.398 7.773 -4.364 1.00 0.76 H new ATOM 0 HG23 THR A 55 9.339 9.407 -3.661 1.00 0.76 H new ATOM 885 N LEU A 56 8.418 5.584 -0.784 1.00 0.58 N ATOM 886 CA LEU A 56 8.519 4.739 0.365 1.00 0.59 C ATOM 887 C LEU A 56 9.574 5.080 1.361 1.00 0.64 C ATOM 888 O LEU A 56 9.370 5.016 2.573 1.00 0.70 O ATOM 889 CB LEU A 56 8.804 3.344 -0.216 1.00 0.60 C ATOM 890 CG LEU A 56 7.621 2.781 -1.021 1.00 0.63 C ATOM 891 CD1 LEU A 56 8.101 1.522 -1.763 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.341 2.462 -0.231 1.00 1.03 C ATOM 0 H LEU A 56 8.628 5.114 -1.665 1.00 0.58 H new ATOM 0 HA LEU A 56 7.598 4.837 0.940 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.683 3.396 -0.858 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.043 2.659 0.597 1.00 0.60 H new ATOM 0 HG LEU A 56 7.319 3.582 -1.695 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.277 1.105 -2.342 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.919 1.785 -2.434 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.447 0.783 -1.040 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.582 2.073 -0.910 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.561 1.717 0.533 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.971 3.370 0.244 1.00 1.03 H new ATOM 904 N SER A 57 10.723 5.548 0.843 1.00 0.68 N ATOM 905 CA SER A 57 11.802 6.192 1.527 1.00 0.75 C ATOM 906 C SER A 57 11.390 7.429 2.248 1.00 0.76 C ATOM 907 O SER A 57 11.973 7.641 3.311 1.00 0.84 O ATOM 908 CB SER A 57 13.038 6.485 0.658 1.00 0.84 C ATOM 909 OG SER A 57 12.635 7.350 -0.394 1.00 1.19 O ATOM 0 H SER A 57 10.913 5.466 -0.156 1.00 0.68 H new ATOM 0 HA SER A 57 12.101 5.443 2.260 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.823 6.950 1.255 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.449 5.560 0.255 1.00 0.84 H new ATOM 0 HG SER A 57 13.406 7.554 -0.963 1.00 1.19 H new ATOM 915 N ASP A 58 10.386 8.263 1.927 1.00 0.75 N ATOM 916 CA ASP A 58 9.924 9.375 2.699 1.00 0.78 C ATOM 917 C ASP A 58 9.461 8.932 4.045 1.00 0.77 C ATOM 918 O ASP A 58 9.856 9.499 5.062 1.00 0.86 O ATOM 919 CB ASP A 58 8.882 10.152 1.877 1.00 0.83 C ATOM 920 CG ASP A 58 8.781 11.576 2.405 1.00 1.23 C ATOM 921 OD1 ASP A 58 9.780 12.285 2.110 1.00 1.86 O ATOM 922 OD2 ASP A 58 7.772 12.026 3.012 1.00 1.90 O ATOM 0 H ASP A 58 9.857 8.151 1.062 1.00 0.75 H new ATOM 0 HA ASP A 58 10.737 10.071 2.908 1.00 0.78 H new ATOM 0 HB2 ASP A 58 9.167 10.162 0.825 1.00 0.83 H new ATOM 0 HB3 ASP A 58 7.912 9.659 1.940 1.00 0.83 H new ATOM 927 N TYR A 59 8.641 7.867 4.070 1.00 0.72 N ATOM 928 CA TYR A 59 8.068 7.171 5.180 1.00 0.73 C ATOM 929 C TYR A 59 8.968 6.150 5.787 1.00 0.76 C ATOM 930 O TYR A 59 8.543 5.475 6.725 1.00 0.89 O ATOM 931 CB TYR A 59 6.744 6.427 4.931 1.00 0.73 C ATOM 932 CG TYR A 59 5.717 7.418 4.504 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.104 8.174 5.475 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.362 7.582 3.185 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.018 8.960 5.170 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.321 8.415 2.850 1.00 0.70 C ATOM 937 CZ TYR A 59 3.701 9.137 3.843 1.00 0.74 C ATOM 938 OH TYR A 59 2.667 10.033 3.498 1.00 0.86 O ATOM 0 H TYR A 59 8.343 7.441 3.192 1.00 0.72 H new ATOM 0 HA TYR A 59 7.888 8.019 5.840 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.877 5.665 4.163 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.422 5.914 5.837 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.479 8.150 6.487 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.902 7.056 2.412 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.431 9.425 5.949 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.995 8.501 1.824 1.00 0.70 H new ATOM 0 HH TYR A 59 2.959 10.952 3.673 1.00 0.86 H new ATOM 948 N ASN A 60 10.211 5.945 5.317 1.00 0.74 N ATOM 949 CA ASN A 60 11.076 4.970 5.906 1.00 0.79 C ATOM 950 C ASN A 60 10.589 3.562 5.933 1.00 0.75 C ATOM 951 O ASN A 60 10.646 2.884 6.958 1.00 0.86 O ATOM 952 CB ASN A 60 11.405 5.256 7.381 1.00 0.95 C ATOM 953 CG ASN A 60 11.781 6.723 7.535 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.168 7.562 8.191 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.822 7.122 6.755 1.00 1.83 N ATOM 0 H ASN A 60 10.617 6.453 4.531 1.00 0.74 H new ATOM 0 HA ASN A 60 11.929 5.062 5.234 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.546 5.020 8.010 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.227 4.621 7.712 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.085 8.107 6.720 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.340 6.436 6.205 1.00 1.83 H new ATOM 962 N ILE A 61 10.041 3.044 4.820 1.00 0.67 N ATOM 963 CA ILE A 61 9.500 1.722 4.757 1.00 0.65 C ATOM 964 C ILE A 61 10.657 0.855 4.397 1.00 0.66 C ATOM 965 O ILE A 61 11.373 1.129 3.434 1.00 0.75 O ATOM 966 CB ILE A 61 8.454 1.768 3.683 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.356 2.594 4.375 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.779 0.410 3.423 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.200 2.915 3.429 1.00 0.82 C ATOM 0 H ILE A 61 9.972 3.557 3.941 1.00 0.67 H new ATOM 0 HA ILE A 61 9.042 1.348 5.672 1.00 0.65 H new ATOM 0 HB ILE A 61 8.882 2.122 2.745 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.977 2.044 5.237 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.784 3.523 4.752 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.034 0.519 2.635 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.531 -0.317 3.114 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.293 0.064 4.336 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.448 3.499 3.959 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.573 3.488 2.580 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.754 1.987 3.072 1.00 0.82 H new ATOM 981 N GLN A 62 11.057 -0.107 5.247 1.00 0.67 N ATOM 982 CA GLN A 62 12.216 -0.926 5.072 1.00 0.70 C ATOM 983 C GLN A 62 11.863 -2.090 4.210 1.00 0.62 C ATOM 984 O GLN A 62 10.833 -2.183 3.544 1.00 0.64 O ATOM 985 CB GLN A 62 12.613 -1.460 6.458 1.00 0.85 C ATOM 986 CG GLN A 62 12.730 -0.383 7.539 1.00 1.27 C ATOM 987 CD GLN A 62 13.685 0.716 7.092 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.873 0.521 6.841 1.00 2.08 O ATOM 989 NE2 GLN A 62 13.203 1.987 7.076 1.00 2.16 N ATOM 0 H GLN A 62 10.544 -0.325 6.102 1.00 0.67 H new ATOM 0 HA GLN A 62 13.025 -0.356 4.615 1.00 0.70 H new ATOM 0 HB2 GLN A 62 11.876 -2.198 6.775 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.568 -1.979 6.374 1.00 0.85 H new ATOM 0 HG2 GLN A 62 11.748 0.042 7.746 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.087 -0.828 8.468 1.00 1.27 H new ATOM 0 HE21 GLN A 62 12.220 2.162 7.282 1.00 2.16 H new ATOM 0 HE22 GLN A 62 13.825 2.766 6.858 1.00 2.16 H new ATOM 998 N LYS A 63 12.722 -3.124 4.233 1.00 0.64 N ATOM 999 CA LYS A 63 12.507 -4.371 3.567 1.00 0.62 C ATOM 1000 C LYS A 63 11.490 -5.177 4.299 1.00 0.59 C ATOM 1001 O LYS A 63 11.487 -5.116 5.528 1.00 0.66 O ATOM 1002 CB LYS A 63 13.882 -5.020 3.337 1.00 0.74 C ATOM 1003 CG LYS A 63 14.547 -5.759 4.500 1.00 0.89 C ATOM 1004 CD LYS A 63 15.570 -6.778 3.995 1.00 1.11 C ATOM 1005 CE LYS A 63 16.488 -7.060 5.186 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.553 -7.950 4.675 1.00 2.12 N ATOM 0 H LYS A 63 13.607 -3.089 4.739 1.00 0.64 H new ATOM 0 HA LYS A 63 12.064 -4.260 2.578 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.781 -5.725 2.511 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.566 -4.238 3.007 1.00 0.74 H new ATOM 0 HG2 LYS A 63 15.038 -5.041 5.157 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.787 -6.266 5.094 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.080 -7.689 3.653 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.134 -6.383 3.150 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.908 -6.136 5.583 1.00 1.47 H new ATOM 0 HE3 LYS A 63 15.939 -7.535 5.999 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.213 -8.179 5.445 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.128 -8.827 4.312 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 18.068 -7.471 3.908 1.00 2.12 H new ATOM 1020 N GLU A 64 10.669 -5.984 3.602 1.00 0.57 N ATOM 1021 CA GLU A 64 9.796 -6.939 4.211 1.00 0.58 C ATOM 1022 C GLU A 64 8.801 -6.233 5.067 1.00 0.56 C ATOM 1023 O GLU A 64 8.602 -6.551 6.237 1.00 0.70 O ATOM 1024 CB GLU A 64 10.627 -8.024 4.914 1.00 0.72 C ATOM 1025 CG GLU A 64 11.515 -8.802 3.940 1.00 0.96 C ATOM 1026 CD GLU A 64 11.903 -10.200 4.402 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.770 -10.519 5.614 1.00 1.71 O ATOM 1028 OE2 GLU A 64 12.291 -11.043 3.549 1.00 1.69 O ATOM 0 H GLU A 64 10.611 -5.971 2.584 1.00 0.57 H new ATOM 0 HA GLU A 64 9.203 -7.473 3.468 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.250 -7.561 5.679 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.958 -8.717 5.424 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.997 -8.882 2.984 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.425 -8.228 3.763 1.00 0.96 H new ATOM 1035 N SER A 65 8.147 -5.184 4.538 1.00 0.51 N ATOM 1036 CA SER A 65 7.335 -4.299 5.314 1.00 0.51 C ATOM 1037 C SER A 65 5.894 -4.516 5.002 1.00 0.43 C ATOM 1038 O SER A 65 5.541 -4.705 3.839 1.00 0.50 O ATOM 1039 CB SER A 65 7.627 -2.798 5.151 1.00 0.65 C ATOM 1040 OG SER A 65 8.921 -2.394 5.573 1.00 1.04 O ATOM 0 H SER A 65 8.183 -4.945 3.547 1.00 0.51 H new ATOM 0 HA SER A 65 7.586 -4.553 6.344 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.502 -2.530 4.102 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.884 -2.234 5.715 1.00 0.65 H new ATOM 0 HG SER A 65 9.502 -2.289 4.791 1.00 1.04 H new ATOM 1046 N THR A 66 5.097 -4.436 6.083 1.00 0.45 N ATOM 1047 CA THR A 66 3.705 -4.761 6.066 1.00 0.45 C ATOM 1048 C THR A 66 2.920 -3.495 6.071 1.00 0.43 C ATOM 1049 O THR A 66 2.875 -2.685 6.995 1.00 0.58 O ATOM 1050 CB THR A 66 3.191 -5.584 7.209 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.712 -6.899 7.083 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.656 -5.688 7.183 1.00 0.78 C ATOM 0 H THR A 66 5.433 -4.135 6.998 1.00 0.45 H new ATOM 0 HA THR A 66 3.585 -5.370 5.170 1.00 0.45 H new ATOM 0 HB THR A 66 3.500 -5.107 8.139 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.387 -7.452 7.824 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.318 -6.291 8.025 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.222 -4.690 7.254 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.339 -6.156 6.251 1.00 0.78 H new ATOM 1060 N LEU A 67 2.323 -3.257 4.890 1.00 0.38 N ATOM 1061 CA LEU A 67 1.395 -2.172 4.792 1.00 0.38 C ATOM 1062 C LEU A 67 0.023 -2.727 4.962 1.00 0.37 C ATOM 1063 O LEU A 67 -0.156 -3.924 4.740 1.00 0.50 O ATOM 1064 CB LEU A 67 1.534 -1.483 3.425 1.00 0.46 C ATOM 1065 CG LEU A 67 2.772 -0.584 3.278 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.139 -1.288 3.305 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.577 0.177 1.955 1.00 1.31 C ATOM 0 H LEU A 67 2.473 -3.791 4.034 1.00 0.38 H new ATOM 0 HA LEU A 67 1.594 -1.428 5.563 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.564 -2.249 2.650 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.643 -0.882 3.245 1.00 0.46 H new ATOM 0 HG LEU A 67 2.823 0.060 4.156 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.932 -0.548 3.193 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.261 -1.809 4.254 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.195 -2.006 2.487 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.427 0.839 1.787 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.504 -0.535 1.133 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.662 0.767 2.006 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.992 -1.889 5.236 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.366 -2.251 5.397 1.00 0.37 C ATOM 1081 C HIS A 68 -3.236 -1.602 4.376 1.00 0.35 C ATOM 1082 O HIS A 68 -3.126 -0.419 4.055 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.966 -1.948 6.780 1.00 0.49 C ATOM 1084 CG HIS A 68 -2.459 -2.941 7.782 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -1.240 -2.943 8.431 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -3.030 -4.098 8.213 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -1.096 -4.112 9.113 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -2.192 -4.840 9.019 1.00 1.51 N ATOM 0 H HIS A 68 -0.841 -0.887 5.353 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.350 -3.334 5.273 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.699 -0.937 7.089 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -4.054 -1.990 6.732 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -4.033 -4.403 7.952 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -0.208 -4.403 9.655 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -2.378 -5.747 9.446 1.00 1.51 H new ATOM 1096 N LEU A 69 -4.243 -2.302 3.824 1.00 0.36 N ATOM 1097 CA LEU A 69 -5.125 -1.822 2.806 1.00 0.38 C ATOM 1098 C LEU A 69 -6.481 -1.598 3.382 1.00 0.41 C ATOM 1099 O LEU A 69 -7.153 -2.565 3.738 1.00 0.56 O ATOM 1100 CB LEU A 69 -5.309 -2.759 1.601 1.00 0.48 C ATOM 1101 CG LEU A 69 -6.182 -2.229 0.450 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.713 -0.917 -0.199 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -6.209 -3.329 -0.624 1.00 1.14 C ATOM 0 H LEU A 69 -4.453 -3.260 4.105 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.651 -0.909 2.445 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -4.324 -2.998 1.201 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.744 -3.693 1.957 1.00 0.48 H new ATOM 0 HG LEU A 69 -7.158 -1.994 0.875 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.402 -0.639 -0.996 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.690 -0.128 0.552 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.714 -1.053 -0.614 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.818 -3.001 -1.466 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -5.194 -3.528 -0.967 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.634 -4.239 -0.202 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.981 -0.351 3.307 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.314 -0.029 3.712 1.00 0.56 C ATOM 1117 C VAL A 70 -9.000 0.443 2.477 1.00 0.55 C ATOM 1118 O VAL A 70 -8.426 1.084 1.599 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.403 0.845 4.928 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.805 1.252 5.413 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.593 0.281 6.108 1.00 0.97 C ATOM 0 H VAL A 70 -6.450 0.447 2.959 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.845 -0.898 4.101 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.962 1.772 4.560 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.715 1.882 6.298 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.316 1.805 4.625 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -10.378 0.358 5.660 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.687 0.947 6.966 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.973 -0.706 6.372 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.544 0.202 5.824 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.326 0.262 2.336 1.00 0.73 N ATOM 1132 CA LEU A 71 -11.035 0.635 1.152 1.00 0.84 C ATOM 1133 C LEU A 71 -11.782 1.916 1.294 1.00 0.85 C ATOM 1134 O LEU A 71 -11.953 2.337 2.437 1.00 1.03 O ATOM 1135 CB LEU A 71 -12.052 -0.451 0.759 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.424 -1.494 -0.181 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.257 -0.938 -1.607 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -10.093 -2.014 0.386 1.00 2.78 C ATOM 0 H LEU A 71 -10.916 -0.151 3.058 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.270 0.757 0.385 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.424 -0.945 1.657 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.910 0.011 0.271 1.00 1.26 H new ATOM 0 HG LEU A 71 -12.108 -2.341 -0.246 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.811 -1.701 -2.245 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.232 -0.658 -2.005 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -10.610 -0.061 -1.582 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -9.669 -2.750 -0.297 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.397 -1.183 0.501 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -10.268 -2.478 1.357 1.00 2.78 H new ATOM 1150 N ARG A 72 -12.063 2.614 0.179 1.00 0.92 N ATOM 1151 CA ARG A 72 -12.733 3.877 0.210 1.00 1.10 C ATOM 1152 C ARG A 72 -13.777 3.982 -0.848 1.00 1.35 C ATOM 1153 O ARG A 72 -13.461 3.618 -1.980 1.00 1.56 O ATOM 1154 CB ARG A 72 -11.777 5.073 0.068 1.00 1.34 C ATOM 1155 CG ARG A 72 -12.497 6.394 0.349 1.00 1.65 C ATOM 1156 CD ARG A 72 -11.570 7.610 0.277 1.00 1.99 C ATOM 1157 NE ARG A 72 -12.413 8.751 0.733 1.00 2.54 N ATOM 1158 CZ ARG A 72 -11.902 9.798 1.445 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -10.556 10.025 1.459 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -12.697 10.779 1.963 1.00 3.75 N ATOM 0 H ARG A 72 -11.821 2.296 -0.760 1.00 0.92 H new ATOM 0 HA ARG A 72 -13.199 3.919 1.195 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -10.941 4.958 0.758 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -11.359 5.090 -0.939 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -13.307 6.519 -0.369 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -12.952 6.350 1.338 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -10.697 7.482 0.917 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -11.202 7.769 -0.737 1.00 1.99 H new ATOM 0 HE ARG A 72 -13.407 8.750 0.505 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -9.930 9.412 0.937 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -10.176 10.808 1.992 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -13.707 10.744 1.823 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -12.281 11.547 2.490 1.00 3.75 H new ATOM 1174 N LEU A 73 -15.017 4.350 -0.482 1.00 1.54 N ATOM 1175 CA LEU A 73 -16.094 4.711 -1.351 1.00 1.93 C ATOM 1176 C LEU A 73 -16.222 6.191 -1.469 1.00 2.13 C ATOM 1177 O LEU A 73 -15.731 6.778 -2.432 1.00 2.57 O ATOM 1178 CB LEU A 73 -17.372 3.983 -0.899 1.00 2.23 C ATOM 1179 CG LEU A 73 -18.502 3.787 -1.924 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -18.053 3.389 -3.340 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -19.669 2.953 -1.369 1.00 3.14 C ATOM 0 H LEU A 73 -15.287 4.399 0.500 1.00 1.54 H new ATOM 0 HA LEU A 73 -15.892 4.380 -2.369 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -17.082 2.998 -0.532 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -17.784 4.530 -0.051 1.00 2.23 H new ATOM 0 HG LEU A 73 -18.900 4.789 -2.082 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -18.927 3.277 -3.981 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -17.402 4.163 -3.746 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -17.511 2.444 -3.298 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -20.437 2.847 -2.135 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -19.306 1.967 -1.080 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -20.092 3.454 -0.498 1.00 3.14 H new ATOM 1193 N ARG A 74 -16.567 6.848 -0.347 1.00 2.32 N ATOM 1194 CA ARG A 74 -16.534 8.272 -0.226 1.00 2.55 C ATOM 1195 C ARG A 74 -16.174 8.702 1.154 1.00 2.58 C ATOM 1196 O ARG A 74 -15.010 8.768 1.543 1.00 3.08 O ATOM 1197 CB ARG A 74 -17.847 8.904 -0.719 1.00 3.29 C ATOM 1198 CG ARG A 74 -17.880 10.421 -0.911 1.00 4.01 C ATOM 1199 CD ARG A 74 -17.156 11.054 -2.100 1.00 4.67 C ATOM 1200 NE ARG A 74 -15.746 11.225 -1.653 1.00 5.36 N ATOM 1201 CZ ARG A 74 -14.650 10.689 -2.265 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -14.611 9.783 -3.285 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -13.427 11.078 -1.800 1.00 6.80 N ATOM 0 H ARG A 74 -16.878 6.374 0.501 1.00 2.32 H new ATOM 0 HA ARG A 74 -15.742 8.642 -0.877 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -18.105 8.440 -1.671 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -18.633 8.639 -0.012 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -18.927 10.718 -0.973 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -17.474 10.872 -0.006 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -17.215 10.416 -2.982 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -17.603 12.011 -2.369 1.00 4.67 H new ATOM 0 HE ARG A 74 -15.586 11.790 -0.819 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -15.479 9.424 -3.682 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -13.713 9.465 -3.650 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -13.362 11.741 -1.028 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -12.578 10.705 -2.225 1.00 6.80 H new ATOM 1217 N GLY A 75 -17.145 9.167 1.960 1.00 2.73 N ATOM 1218 CA GLY A 75 -16.943 9.848 3.200 1.00 3.22 C ATOM 1219 C GLY A 75 -16.976 9.020 4.438 1.00 3.16 C ATOM 1220 O GLY A 75 -17.784 9.295 5.324 1.00 3.57 O ATOM 0 H GLY A 75 -18.133 9.060 1.730 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -15.978 10.354 3.156 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -17.705 10.622 3.290 1.00 3.22 H new ATOM 1224 N GLY A 76 -16.037 8.077 4.630 1.00 3.14 N ATOM 1225 CA GLY A 76 -15.976 7.299 5.830 1.00 3.37 C ATOM 1226 C GLY A 76 -14.654 6.546 5.800 1.00 3.48 C ATOM 1227 O GLY A 76 -13.592 7.199 5.980 1.00 3.87 O ATOM 1228 OXT GLY A 76 -14.647 5.309 5.555 1.00 3.70 O ATOM 0 H GLY A 76 -15.313 7.851 3.948 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -16.036 7.940 6.710 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -16.815 6.605 5.884 1.00 3.37 H new TER 1232 GLY A 76