USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 582 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 60 ASN : amide:sc= -0.394 X(o=-0.62,f=-0.59) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.231 X(o=-0.62,f=-0.46) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.0272 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.114 X(o=-0.087,f=-0.4) USER MOD Set 3.1: A 7 THR OG1 : rot 118:sc= 1.65 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.03 USER MOD Single : A 1 MET CE :methyl -168:sc= -0.0527 (180deg=-0.212) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) 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 11 LYS NZ :NH3+ -136:sc= 0.809 (180deg=-0.0188) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.278 USER MOD Single : A 14 THR OG1 : rot -75:sc= 0.2 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.19) USER MOD Single : A 31 GLN : amide:sc= -1.04 X(o=-1,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= -0.0407 (180deg=-0.274) USER MOD Single : A 40 GLN : amide:sc= 0.536 K(o=0.54,f=-0.34) USER MOD Single : A 41 ASN : amide:sc= 0.369 K(o=0.37,f=-0.52) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.751 K(o=-0.75,f=-3.1!) USER MOD Single : A 55 THR OG1 : rot -68:sc= 1.25 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -175:sc= 0.653 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -86:sc= 1.26 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 14.897 -5.333 -0.621 1.00 0.00 N ATOM 2 CA MET A 1 14.090 -4.480 0.268 1.00 0.00 C ATOM 3 C MET A 1 12.637 -4.916 0.189 1.00 0.00 C ATOM 4 O MET A 1 12.047 -4.874 -0.890 1.00 0.00 O ATOM 5 CB MET A 1 14.238 -2.992 -0.076 1.00 0.00 C ATOM 6 CG MET A 1 13.350 -2.099 0.799 1.00 0.00 C ATOM 7 SD MET A 1 13.466 -0.331 0.419 1.00 0.00 S ATOM 8 CE MET A 1 12.308 0.307 1.654 1.00 0.00 C ATOM 0 H1 MET A 1 15.894 -5.040 -0.572 1.00 0.00 H new ATOM 0 H2 MET A 1 14.812 -6.325 -0.321 1.00 0.00 H new ATOM 0 H3 MET A 1 14.555 -5.237 -1.599 1.00 0.00 H new ATOM 0 HA MET A 1 14.452 -4.600 1.289 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.280 -2.695 0.046 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.984 -2.837 -1.124 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.313 -2.416 0.686 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.618 -2.252 1.844 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.084 1.352 1.438 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.387 -0.275 1.624 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.754 0.229 2.645 1.00 0.00 H new ATOM 18 N GLN A 2 12.057 -5.368 1.303 1.00 0.00 N ATOM 19 CA GLN A 2 10.665 -5.798 1.349 1.00 0.00 C ATOM 20 C GLN A 2 9.839 -4.999 2.357 1.00 0.00 C ATOM 21 O GLN A 2 10.383 -4.366 3.258 1.00 0.00 O ATOM 22 CB GLN A 2 10.574 -7.315 1.580 1.00 0.00 C ATOM 23 CG GLN A 2 11.230 -7.798 2.880 1.00 0.00 C ATOM 24 CD GLN A 2 10.909 -9.267 3.122 1.00 0.00 C ATOM 25 OE1 GLN A 2 11.399 -10.154 2.426 1.00 0.00 O ATOM 26 NE2 GLN A 2 10.066 -9.578 4.090 1.00 0.00 N ATOM 0 H GLN A 2 12.542 -5.445 2.197 1.00 0.00 H new ATOM 0 HA GLN A 2 10.221 -5.587 0.376 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.524 -7.607 1.587 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.042 -7.827 0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.310 -7.660 2.823 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.875 -7.199 3.718 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.659 -8.842 4.668 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.822 -10.554 4.260 1.00 0.00 H new ATOM 35 N ILE A 3 8.524 -4.959 2.136 1.00 0.00 N ATOM 36 CA ILE A 3 7.518 -4.308 2.975 1.00 0.00 C ATOM 37 C ILE A 3 6.350 -5.288 3.157 1.00 0.00 C ATOM 38 O ILE A 3 6.288 -6.323 2.475 1.00 0.00 O ATOM 39 CB ILE A 3 7.092 -2.931 2.417 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.397 -3.046 1.041 1.00 0.00 C ATOM 41 CG2 ILE A 3 8.308 -1.987 2.375 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.705 -1.751 0.606 1.00 0.00 C ATOM 0 H ILE A 3 8.109 -5.406 1.319 1.00 0.00 H new ATOM 0 HA ILE A 3 7.936 -4.077 3.955 1.00 0.00 H new ATOM 0 HB ILE A 3 6.348 -2.505 3.090 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.136 -3.326 0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.661 -3.849 1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 3 8.003 -1.018 1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.705 -1.860 3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.078 -2.414 1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.237 -1.898 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.944 -1.482 1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.441 -0.950 0.537 1.00 0.00 H new ATOM 54 N PHE A 4 5.404 -4.975 4.038 1.00 0.00 N ATOM 55 CA PHE A 4 4.221 -5.777 4.320 1.00 0.00 C ATOM 56 C PHE A 4 2.977 -4.908 4.160 1.00 0.00 C ATOM 57 O PHE A 4 3.038 -3.697 4.386 1.00 0.00 O ATOM 58 CB PHE A 4 4.249 -6.326 5.751 1.00 0.00 C ATOM 59 CG PHE A 4 5.422 -7.206 6.127 1.00 0.00 C ATOM 60 CD1 PHE A 4 5.471 -8.544 5.692 1.00 0.00 C ATOM 61 CD2 PHE A 4 6.429 -6.711 6.979 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.511 -9.387 6.122 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.468 -7.555 7.406 1.00 0.00 C ATOM 64 CZ PHE A 4 7.505 -8.897 6.988 1.00 0.00 C ATOM 0 H PHE A 4 5.444 -4.122 4.596 1.00 0.00 H new ATOM 0 HA PHE A 4 4.204 -6.614 3.622 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.226 -5.481 6.439 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.333 -6.894 5.914 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.709 -8.923 5.027 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.402 -5.682 7.304 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.547 -10.413 5.787 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.240 -7.172 8.057 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.294 -9.550 7.331 1.00 0.00 H new ATOM 74 N VAL A 5 1.840 -5.511 3.821 1.00 0.00 N ATOM 75 CA VAL A 5 0.572 -4.808 3.660 1.00 0.00 C ATOM 76 C VAL A 5 -0.510 -5.677 4.300 1.00 0.00 C ATOM 77 O VAL A 5 -0.603 -6.865 4.002 1.00 0.00 O ATOM 78 CB VAL A 5 0.261 -4.471 2.180 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.988 -3.580 2.109 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.385 -3.722 1.444 1.00 0.00 C ATOM 0 H VAL A 5 1.774 -6.514 3.648 1.00 0.00 H new ATOM 0 HA VAL A 5 0.618 -3.838 4.156 1.00 0.00 H new ATOM 0 HB VAL A 5 0.127 -5.436 1.691 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.207 -3.343 1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.836 -4.106 2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.809 -2.658 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.080 -3.528 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.583 -2.776 1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.289 -4.330 1.446 1.00 0.00 H new ATOM 90 N LYS A 6 -1.286 -5.109 5.220 1.00 0.00 N ATOM 91 CA LYS A 6 -2.386 -5.750 5.925 1.00 0.00 C ATOM 92 C LYS A 6 -3.645 -5.441 5.118 1.00 0.00 C ATOM 93 O LYS A 6 -3.948 -4.260 4.903 1.00 0.00 O ATOM 94 CB LYS A 6 -2.468 -5.170 7.345 1.00 0.00 C ATOM 95 CG LYS A 6 -3.677 -5.627 8.176 1.00 0.00 C ATOM 96 CD LYS A 6 -3.782 -7.136 8.417 1.00 0.00 C ATOM 97 CE LYS A 6 -2.549 -7.782 9.058 1.00 0.00 C ATOM 98 NZ LYS A 6 -2.406 -7.439 10.490 1.00 0.00 N ATOM 0 H LYS A 6 -1.155 -4.139 5.506 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.257 -6.828 6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.558 -5.438 7.882 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.488 -4.082 7.274 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.642 -5.124 9.143 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.586 -5.293 7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.645 -7.327 9.055 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.975 -7.627 7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.615 -8.865 8.952 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.656 -7.463 8.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.557 -7.901 10.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.316 -6.408 10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.245 -7.766 11.011 1.00 0.00 H new ATOM 112 N THR A 7 -4.312 -6.461 4.584 1.00 0.00 N ATOM 113 CA THR A 7 -5.535 -6.257 3.824 1.00 0.00 C ATOM 114 C THR A 7 -6.657 -5.897 4.796 1.00 0.00 C ATOM 115 O THR A 7 -6.570 -6.167 5.998 1.00 0.00 O ATOM 116 CB THR A 7 -5.901 -7.518 3.023 1.00 0.00 C ATOM 117 OG1 THR A 7 -6.205 -8.589 3.880 1.00 0.00 O ATOM 118 CG2 THR A 7 -4.804 -7.954 2.046 1.00 0.00 C ATOM 0 H THR A 7 -4.023 -7.436 4.665 1.00 0.00 H new ATOM 0 HA THR A 7 -5.388 -5.447 3.110 1.00 0.00 H new ATOM 0 HB THR A 7 -6.779 -7.248 2.436 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.133 -8.870 3.736 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.126 -8.849 1.513 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.615 -7.154 1.330 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.890 -8.170 2.598 1.00 0.00 H new ATOM 126 N LEU A 8 -7.758 -5.366 4.260 1.00 0.00 N ATOM 127 CA LEU A 8 -8.915 -4.999 5.063 1.00 0.00 C ATOM 128 C LEU A 8 -9.612 -6.236 5.655 1.00 0.00 C ATOM 129 O LEU A 8 -10.457 -6.089 6.530 1.00 0.00 O ATOM 130 CB LEU A 8 -9.889 -4.155 4.217 1.00 0.00 C ATOM 131 CG LEU A 8 -10.827 -4.948 3.275 1.00 0.00 C ATOM 132 CD1 LEU A 8 -11.811 -3.965 2.649 1.00 0.00 C ATOM 133 CD2 LEU A 8 -10.100 -5.696 2.152 1.00 0.00 C ATOM 0 H LEU A 8 -7.868 -5.181 3.263 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.573 -4.399 5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.503 -3.559 4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.307 -3.457 3.615 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.321 -5.707 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.484 -4.501 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.390 -3.480 3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.263 -3.211 2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.828 -6.226 1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.554 -4.983 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.401 -6.412 2.585 1.00 0.00 H new ATOM 145 N THR A 9 -9.272 -7.437 5.183 1.00 0.00 N ATOM 146 CA THR A 9 -9.804 -8.717 5.619 1.00 0.00 C ATOM 147 C THR A 9 -8.925 -9.314 6.726 1.00 0.00 C ATOM 148 O THR A 9 -9.302 -10.307 7.353 1.00 0.00 O ATOM 149 CB THR A 9 -9.901 -9.668 4.413 1.00 0.00 C ATOM 150 OG1 THR A 9 -8.765 -9.592 3.563 1.00 0.00 O ATOM 151 CG2 THR A 9 -11.135 -9.345 3.574 1.00 0.00 C ATOM 0 H THR A 9 -8.577 -7.541 4.444 1.00 0.00 H new ATOM 0 HA THR A 9 -10.802 -8.573 6.032 1.00 0.00 H new ATOM 0 HB THR A 9 -9.963 -10.674 4.828 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.874 -10.215 2.814 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.187 -10.028 2.726 1.00 0.00 H new ATOM 0 HG22 THR A 9 -12.030 -9.457 4.186 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.070 -8.319 3.211 1.00 0.00 H new ATOM 159 N GLY A 10 -7.728 -8.764 6.958 1.00 0.00 N ATOM 160 CA GLY A 10 -6.805 -9.221 7.980 1.00 0.00 C ATOM 161 C GLY A 10 -5.718 -10.130 7.427 1.00 0.00 C ATOM 162 O GLY A 10 -4.998 -10.754 8.208 1.00 0.00 O ATOM 0 H GLY A 10 -7.374 -7.971 6.423 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.342 -8.358 8.458 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.360 -9.754 8.753 1.00 0.00 H new ATOM 166 N LYS A 11 -5.624 -10.301 6.106 1.00 0.00 N ATOM 167 CA LYS A 11 -4.581 -11.131 5.515 1.00 0.00 C ATOM 168 C LYS A 11 -3.341 -10.240 5.477 1.00 0.00 C ATOM 169 O LYS A 11 -3.462 -9.014 5.474 1.00 0.00 O ATOM 170 CB LYS A 11 -5.019 -11.548 4.084 1.00 0.00 C ATOM 171 CG LYS A 11 -5.026 -13.062 3.804 1.00 0.00 C ATOM 172 CD LYS A 11 -3.646 -13.697 3.557 1.00 0.00 C ATOM 173 CE LYS A 11 -2.913 -13.207 2.297 1.00 0.00 C ATOM 174 NZ LYS A 11 -3.657 -13.461 1.046 1.00 0.00 N ATOM 0 H LYS A 11 -6.258 -9.875 5.430 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.389 -12.046 6.075 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.021 -11.159 3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.355 -11.067 3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.493 -13.568 4.649 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.654 -13.250 2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.014 -13.502 4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.769 -14.778 3.489 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.726 -12.137 2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.941 -13.697 2.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.006 -13.829 0.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.407 -14.159 1.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.082 -12.574 0.709 1.00 0.00 H new ATOM 188 N THR A 12 -2.162 -10.817 5.304 1.00 0.00 N ATOM 189 CA THR A 12 -0.933 -10.043 5.232 1.00 0.00 C ATOM 190 C THR A 12 -0.244 -10.415 3.930 1.00 0.00 C ATOM 191 O THR A 12 -0.278 -11.578 3.515 1.00 0.00 O ATOM 192 CB THR A 12 -0.103 -10.239 6.508 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.913 -9.917 7.623 1.00 0.00 O ATOM 194 CG2 THR A 12 1.122 -9.319 6.557 1.00 0.00 C ATOM 0 H THR A 12 -2.030 -11.824 5.210 1.00 0.00 H new ATOM 0 HA THR A 12 -1.110 -8.968 5.204 1.00 0.00 H new ATOM 0 HB THR A 12 0.237 -11.274 6.521 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.398 -10.039 8.448 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.675 -9.498 7.479 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.766 -9.525 5.702 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.797 -8.279 6.524 1.00 0.00 H new ATOM 202 N ILE A 13 0.335 -9.424 3.268 1.00 0.00 N ATOM 203 CA ILE A 13 1.063 -9.535 2.019 1.00 0.00 C ATOM 204 C ILE A 13 2.514 -9.167 2.342 1.00 0.00 C ATOM 205 O ILE A 13 2.768 -8.447 3.311 1.00 0.00 O ATOM 206 CB ILE A 13 0.469 -8.569 0.961 1.00 0.00 C ATOM 207 CG1 ILE A 13 -1.080 -8.495 0.925 1.00 0.00 C ATOM 208 CG2 ILE A 13 1.008 -8.875 -0.450 1.00 0.00 C ATOM 209 CD1 ILE A 13 -1.798 -9.831 0.698 1.00 0.00 C ATOM 0 H ILE A 13 0.305 -8.464 3.612 1.00 0.00 H new ATOM 0 HA ILE A 13 0.996 -10.540 1.602 1.00 0.00 H new ATOM 0 HB ILE A 13 0.807 -7.585 1.287 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.428 -8.070 1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.375 -7.804 0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.570 -8.179 -1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.093 -8.768 -0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.743 -9.895 -0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.876 -9.668 0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.488 -10.253 -0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.542 -10.523 1.500 1.00 0.00 H new ATOM 221 N THR A 14 3.441 -9.646 1.523 1.00 0.00 N ATOM 222 CA THR A 14 4.875 -9.424 1.584 1.00 0.00 C ATOM 223 C THR A 14 5.244 -9.053 0.140 1.00 0.00 C ATOM 224 O THR A 14 4.850 -9.760 -0.788 1.00 0.00 O ATOM 225 CB THR A 14 5.565 -10.690 2.108 1.00 0.00 C ATOM 226 OG1 THR A 14 5.007 -11.076 3.354 1.00 0.00 O ATOM 227 CG2 THR A 14 7.064 -10.462 2.319 1.00 0.00 C ATOM 0 H THR A 14 3.187 -10.246 0.738 1.00 0.00 H new ATOM 0 HA THR A 14 5.193 -8.637 2.268 1.00 0.00 H new ATOM 0 HB THR A 14 5.414 -11.468 1.360 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.335 -10.479 4.058 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.523 -11.378 2.691 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.526 -10.183 1.372 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.212 -9.662 3.045 1.00 0.00 H new ATOM 235 N LEU A 15 5.905 -7.913 -0.080 1.00 0.00 N ATOM 236 CA LEU A 15 6.284 -7.428 -1.411 1.00 0.00 C ATOM 237 C LEU A 15 7.686 -6.852 -1.384 1.00 0.00 C ATOM 238 O LEU A 15 8.142 -6.401 -0.337 1.00 0.00 O ATOM 239 CB LEU A 15 5.339 -6.313 -1.899 1.00 0.00 C ATOM 240 CG LEU A 15 3.905 -6.754 -2.229 1.00 0.00 C ATOM 241 CD1 LEU A 15 3.069 -5.511 -2.543 1.00 0.00 C ATOM 242 CD2 LEU A 15 3.843 -7.736 -3.399 1.00 0.00 C ATOM 0 H LEU A 15 6.197 -7.291 0.674 1.00 0.00 H new ATOM 0 HA LEU A 15 6.225 -8.283 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.294 -5.539 -1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.773 -5.857 -2.789 1.00 0.00 H new ATOM 0 HG LEU A 15 3.507 -7.279 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.048 -5.810 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.062 -4.849 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.501 -4.988 -3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.806 -8.013 -3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.261 -7.267 -4.290 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.418 -8.629 -3.155 1.00 0.00 H new ATOM 254 N GLU A 16 8.358 -6.926 -2.525 1.00 0.00 N ATOM 255 CA GLU A 16 9.697 -6.448 -2.814 1.00 0.00 C ATOM 256 C GLU A 16 9.514 -5.114 -3.532 1.00 0.00 C ATOM 257 O GLU A 16 8.831 -5.039 -4.555 1.00 0.00 O ATOM 258 CB GLU A 16 10.425 -7.496 -3.657 1.00 0.00 C ATOM 259 CG GLU A 16 11.834 -7.071 -4.074 1.00 0.00 C ATOM 260 CD GLU A 16 12.623 -8.290 -4.546 1.00 0.00 C ATOM 261 OE1 GLU A 16 12.129 -9.044 -5.420 1.00 0.00 O ATOM 262 OE2 GLU A 16 13.693 -8.564 -3.957 1.00 0.00 O ATOM 0 H GLU A 16 7.938 -7.363 -3.345 1.00 0.00 H new ATOM 0 HA GLU A 16 10.309 -6.296 -1.925 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.487 -8.426 -3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.837 -7.704 -4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.779 -6.330 -4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.345 -6.598 -3.235 1.00 0.00 H new ATOM 269 N VAL A 17 10.030 -4.047 -2.933 1.00 0.00 N ATOM 270 CA VAL A 17 9.954 -2.677 -3.429 1.00 0.00 C ATOM 271 C VAL A 17 11.344 -2.038 -3.307 1.00 0.00 C ATOM 272 O VAL A 17 12.325 -2.728 -3.027 1.00 0.00 O ATOM 273 CB VAL A 17 8.866 -1.916 -2.635 1.00 0.00 C ATOM 274 CG1 VAL A 17 7.485 -2.581 -2.745 1.00 0.00 C ATOM 275 CG2 VAL A 17 9.217 -1.780 -1.143 1.00 0.00 C ATOM 0 H VAL A 17 10.535 -4.116 -2.049 1.00 0.00 H new ATOM 0 HA VAL A 17 9.667 -2.642 -4.480 1.00 0.00 H new ATOM 0 HB VAL A 17 8.827 -0.926 -3.090 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.758 -2.007 -2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.178 -2.611 -3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.538 -3.597 -2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.422 -1.239 -0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.324 -2.771 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.154 -1.234 -1.038 1.00 0.00 H new ATOM 285 N GLU A 18 11.461 -0.734 -3.539 1.00 0.00 N ATOM 286 CA GLU A 18 12.711 0.004 -3.446 1.00 0.00 C ATOM 287 C GLU A 18 12.398 1.425 -2.953 1.00 0.00 C ATOM 288 O GLU A 18 11.242 1.847 -3.057 1.00 0.00 O ATOM 289 CB GLU A 18 13.431 -0.039 -4.805 1.00 0.00 C ATOM 290 CG GLU A 18 12.643 0.574 -5.976 1.00 0.00 C ATOM 291 CD GLU A 18 13.485 0.598 -7.249 1.00 0.00 C ATOM 292 OE1 GLU A 18 13.489 -0.402 -7.999 1.00 0.00 O ATOM 293 OE2 GLU A 18 14.222 1.586 -7.475 1.00 0.00 O ATOM 0 H GLU A 18 10.668 -0.149 -3.803 1.00 0.00 H new ATOM 0 HA GLU A 18 13.395 -0.444 -2.726 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.382 0.485 -4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.661 -1.077 -5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.734 -0.002 -6.148 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.335 1.588 -5.720 1.00 0.00 H new ATOM 300 N PRO A 19 13.383 2.188 -2.435 1.00 0.00 N ATOM 301 CA PRO A 19 13.172 3.550 -1.949 1.00 0.00 C ATOM 302 C PRO A 19 12.455 4.481 -2.933 1.00 0.00 C ATOM 303 O PRO A 19 11.763 5.394 -2.480 1.00 0.00 O ATOM 304 CB PRO A 19 14.564 4.101 -1.627 1.00 0.00 C ATOM 305 CG PRO A 19 15.368 2.848 -1.300 1.00 0.00 C ATOM 306 CD PRO A 19 14.776 1.804 -2.246 1.00 0.00 C ATOM 0 HA PRO A 19 12.510 3.510 -1.084 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.988 4.642 -2.473 1.00 0.00 H new ATOM 0 HB3 PRO A 19 14.538 4.794 -0.786 1.00 0.00 H new ATOM 0 HG2 PRO A 19 16.434 2.995 -1.476 1.00 0.00 H new ATOM 0 HG3 PRO A 19 15.255 2.557 -0.256 1.00 0.00 H new ATOM 0 HD2 PRO A 19 15.310 1.789 -3.196 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.852 0.803 -1.821 1.00 0.00 H new ATOM 314 N SER A 20 12.527 4.219 -4.236 1.00 0.00 N ATOM 315 CA SER A 20 11.903 5.038 -5.259 1.00 0.00 C ATOM 316 C SER A 20 10.807 4.270 -6.004 1.00 0.00 C ATOM 317 O SER A 20 10.564 4.549 -7.173 1.00 0.00 O ATOM 318 CB SER A 20 12.988 5.614 -6.180 1.00 0.00 C ATOM 319 OG SER A 20 13.923 6.371 -5.417 1.00 0.00 O ATOM 0 H SER A 20 13.031 3.416 -4.612 1.00 0.00 H new ATOM 0 HA SER A 20 11.390 5.880 -4.794 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.501 4.806 -6.701 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.532 6.246 -6.942 1.00 0.00 H new ATOM 0 HG SER A 20 14.613 6.734 -6.011 1.00 0.00 H new ATOM 325 N ASP A 21 10.084 3.358 -5.348 1.00 0.00 N ATOM 326 CA ASP A 21 9.006 2.631 -6.024 1.00 0.00 C ATOM 327 C ASP A 21 7.782 3.506 -5.765 1.00 0.00 C ATOM 328 O ASP A 21 7.560 3.953 -4.629 1.00 0.00 O ATOM 329 CB ASP A 21 8.824 1.214 -5.455 1.00 0.00 C ATOM 330 CG ASP A 21 7.945 0.327 -6.344 1.00 0.00 C ATOM 331 OD1 ASP A 21 7.251 -0.552 -5.790 1.00 0.00 O ATOM 332 OD2 ASP A 21 7.996 0.464 -7.588 1.00 0.00 O ATOM 0 H ASP A 21 10.221 3.109 -4.368 1.00 0.00 H new ATOM 0 HA ASP A 21 9.202 2.474 -7.085 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.801 0.747 -5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.379 1.280 -4.462 1.00 0.00 H new ATOM 337 N THR A 22 7.025 3.839 -6.809 1.00 0.00 N ATOM 338 CA THR A 22 5.855 4.698 -6.698 1.00 0.00 C ATOM 339 C THR A 22 4.732 3.985 -5.953 1.00 0.00 C ATOM 340 O THR A 22 4.673 2.750 -5.915 1.00 0.00 O ATOM 341 CB THR A 22 5.405 5.057 -8.137 1.00 0.00 C ATOM 342 OG1 THR A 22 5.325 3.887 -8.942 1.00 0.00 O ATOM 343 CG2 THR A 22 6.371 6.038 -8.809 1.00 0.00 C ATOM 0 H THR A 22 7.210 3.517 -7.759 1.00 0.00 H new ATOM 0 HA THR A 22 6.098 5.599 -6.135 1.00 0.00 H new ATOM 0 HB THR A 22 4.425 5.526 -8.051 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.038 4.131 -9.847 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.019 6.263 -9.816 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.419 6.958 -8.227 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.364 5.591 -8.863 1.00 0.00 H new ATOM 351 N ILE A 23 3.791 4.746 -5.381 1.00 0.00 N ATOM 352 CA ILE A 23 2.655 4.111 -4.707 1.00 0.00 C ATOM 353 C ILE A 23 1.868 3.359 -5.777 1.00 0.00 C ATOM 354 O ILE A 23 1.322 2.305 -5.495 1.00 0.00 O ATOM 355 CB ILE A 23 1.790 5.116 -3.931 1.00 0.00 C ATOM 356 CG1 ILE A 23 2.551 5.666 -2.710 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.434 4.536 -3.478 1.00 0.00 C ATOM 358 CD1 ILE A 23 2.770 4.680 -1.558 1.00 0.00 C ATOM 0 H ILE A 23 3.791 5.766 -5.370 1.00 0.00 H new ATOM 0 HA ILE A 23 3.008 3.418 -3.943 1.00 0.00 H new ATOM 0 HB ILE A 23 1.576 5.925 -4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.524 6.026 -3.045 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.007 6.529 -2.326 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.125 5.299 -2.936 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.136 4.220 -4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.604 3.679 -2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.315 5.175 -0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.805 4.337 -1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.346 3.826 -1.915 1.00 0.00 H new ATOM 370 N GLU A 24 1.854 3.869 -7.007 1.00 0.00 N ATOM 371 CA GLU A 24 1.175 3.297 -8.157 1.00 0.00 C ATOM 372 C GLU A 24 1.638 1.855 -8.380 1.00 0.00 C ATOM 373 O GLU A 24 0.821 0.994 -8.708 1.00 0.00 O ATOM 374 CB GLU A 24 1.483 4.232 -9.328 1.00 0.00 C ATOM 375 CG GLU A 24 0.862 3.827 -10.664 1.00 0.00 C ATOM 376 CD GLU A 24 1.191 4.877 -11.718 1.00 0.00 C ATOM 377 OE1 GLU A 24 0.577 5.968 -11.660 1.00 0.00 O ATOM 378 OE2 GLU A 24 2.128 4.681 -12.521 1.00 0.00 O ATOM 0 H GLU A 24 2.342 4.735 -7.235 1.00 0.00 H new ATOM 0 HA GLU A 24 0.095 3.227 -8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.137 5.234 -9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.564 4.290 -9.451 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.243 2.854 -10.974 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.218 3.728 -10.559 1.00 0.00 H new ATOM 385 N ASN A 25 2.936 1.593 -8.200 1.00 0.00 N ATOM 386 CA ASN A 25 3.508 0.266 -8.351 1.00 0.00 C ATOM 387 C ASN A 25 3.105 -0.590 -7.154 1.00 0.00 C ATOM 388 O ASN A 25 2.519 -1.653 -7.330 1.00 0.00 O ATOM 389 CB ASN A 25 5.037 0.336 -8.483 1.00 0.00 C ATOM 390 CG ASN A 25 5.481 0.326 -9.936 1.00 0.00 C ATOM 391 OD1 ASN A 25 5.042 -0.524 -10.704 1.00 0.00 O ATOM 392 ND2 ASN A 25 6.382 1.198 -10.349 1.00 0.00 N ATOM 0 H ASN A 25 3.619 2.306 -7.944 1.00 0.00 H new ATOM 0 HA ASN A 25 3.124 -0.187 -9.265 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.402 1.241 -7.998 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.486 -0.509 -7.960 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.717 1.168 -11.312 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.743 1.902 -9.705 1.00 0.00 H new ATOM 399 N VAL A 26 3.352 -0.133 -5.925 1.00 0.00 N ATOM 400 CA VAL A 26 3.016 -0.882 -4.710 1.00 0.00 C ATOM 401 C VAL A 26 1.519 -1.217 -4.624 1.00 0.00 C ATOM 402 O VAL A 26 1.143 -2.327 -4.240 1.00 0.00 O ATOM 403 CB VAL A 26 3.518 -0.112 -3.471 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.232 -0.870 -2.166 1.00 0.00 C ATOM 405 CG2 VAL A 26 5.034 0.107 -3.559 1.00 0.00 C ATOM 0 H VAL A 26 3.792 0.769 -5.742 1.00 0.00 H new ATOM 0 HA VAL A 26 3.526 -1.844 -4.747 1.00 0.00 H new ATOM 0 HB VAL A 26 2.985 0.839 -3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.602 -0.291 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.158 -1.020 -2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.733 -1.838 -2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.375 0.651 -2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.539 -0.858 -3.607 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.267 0.683 -4.454 1.00 0.00 H new ATOM 415 N LYS A 27 0.649 -0.291 -5.027 1.00 0.00 N ATOM 416 CA LYS A 27 -0.801 -0.446 -4.994 1.00 0.00 C ATOM 417 C LYS A 27 -1.278 -1.374 -6.117 1.00 0.00 C ATOM 418 O LYS A 27 -2.433 -1.801 -6.074 1.00 0.00 O ATOM 419 CB LYS A 27 -1.438 0.951 -5.070 1.00 0.00 C ATOM 420 CG LYS A 27 -2.842 1.009 -4.459 1.00 0.00 C ATOM 421 CD LYS A 27 -3.555 2.330 -4.771 1.00 0.00 C ATOM 422 CE LYS A 27 -3.902 2.435 -6.263 1.00 0.00 C ATOM 423 NZ LYS A 27 -4.700 3.643 -6.553 1.00 0.00 N ATOM 0 H LYS A 27 0.945 0.613 -5.396 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.112 -0.920 -4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.795 1.665 -4.555 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.490 1.263 -6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.437 0.178 -4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.772 0.882 -3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.466 2.404 -4.177 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.918 3.167 -4.483 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.984 2.456 -6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.457 1.549 -6.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.916 3.681 -7.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.587 3.611 -6.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.160 4.489 -6.282 1.00 0.00 H new ATOM 437 N ALA A 28 -0.433 -1.638 -7.120 1.00 0.00 N ATOM 438 CA ALA A 28 -0.683 -2.536 -8.239 1.00 0.00 C ATOM 439 C ALA A 28 -0.187 -3.935 -7.849 1.00 0.00 C ATOM 440 O ALA A 28 -0.927 -4.905 -7.957 1.00 0.00 O ATOM 441 CB ALA A 28 -0.021 -1.997 -9.503 1.00 0.00 C ATOM 0 H ALA A 28 0.490 -1.206 -7.170 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.748 -2.603 -8.461 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.214 -2.676 -10.333 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.429 -1.014 -9.736 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.054 -1.915 -9.344 1.00 0.00 H new ATOM 447 N LYS A 29 1.030 -4.046 -7.294 1.00 0.00 N ATOM 448 CA LYS A 29 1.648 -5.302 -6.854 1.00 0.00 C ATOM 449 C LYS A 29 0.690 -6.099 -5.957 1.00 0.00 C ATOM 450 O LYS A 29 0.602 -7.326 -6.077 1.00 0.00 O ATOM 451 CB LYS A 29 2.962 -5.009 -6.107 1.00 0.00 C ATOM 452 CG LYS A 29 4.171 -4.600 -6.974 1.00 0.00 C ATOM 453 CD LYS A 29 5.337 -4.148 -6.071 1.00 0.00 C ATOM 454 CE LYS A 29 6.511 -3.515 -6.836 1.00 0.00 C ATOM 455 NZ LYS A 29 7.667 -4.419 -7.030 1.00 0.00 N ATOM 0 H LYS A 29 1.629 -3.236 -7.135 1.00 0.00 H new ATOM 0 HA LYS A 29 1.867 -5.905 -7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.774 -4.213 -5.386 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.236 -5.897 -5.537 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.485 -5.439 -7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.888 -3.792 -7.649 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.962 -3.429 -5.343 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.703 -5.008 -5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.157 -3.182 -7.812 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.844 -2.628 -6.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.440 -3.899 -7.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.990 -4.772 -6.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.384 -5.222 -7.628 1.00 0.00 H new ATOM 469 N ILE A 30 -0.040 -5.432 -5.059 1.00 0.00 N ATOM 470 CA ILE A 30 -0.995 -6.105 -4.176 1.00 0.00 C ATOM 471 C ILE A 30 -2.150 -6.746 -4.970 1.00 0.00 C ATOM 472 O ILE A 30 -2.722 -7.729 -4.508 1.00 0.00 O ATOM 473 CB ILE A 30 -1.533 -5.151 -3.081 1.00 0.00 C ATOM 474 CG1 ILE A 30 -2.150 -3.871 -3.687 1.00 0.00 C ATOM 475 CG2 ILE A 30 -0.427 -4.818 -2.066 1.00 0.00 C ATOM 476 CD1 ILE A 30 -2.822 -2.936 -2.678 1.00 0.00 C ATOM 0 H ILE A 30 0.013 -4.422 -4.924 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.454 -6.908 -3.676 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.335 -5.667 -2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.366 -3.319 -4.206 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.886 -4.161 -4.437 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.823 -4.147 -1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.077 -5.736 -1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.404 -4.334 -2.579 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.224 -2.067 -3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.632 -3.465 -2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.089 -2.610 -1.940 1.00 0.00 H new ATOM 488 N GLN A 31 -2.512 -6.218 -6.142 1.00 0.00 N ATOM 489 CA GLN A 31 -3.592 -6.727 -6.991 1.00 0.00 C ATOM 490 C GLN A 31 -3.129 -7.960 -7.758 1.00 0.00 C ATOM 491 O GLN A 31 -3.940 -8.761 -8.219 1.00 0.00 O ATOM 492 CB GLN A 31 -4.080 -5.641 -7.965 1.00 0.00 C ATOM 493 CG GLN A 31 -4.189 -4.278 -7.271 1.00 0.00 C ATOM 494 CD GLN A 31 -4.855 -3.230 -8.141 1.00 0.00 C ATOM 495 OE1 GLN A 31 -4.276 -2.634 -9.036 1.00 0.00 O ATOM 496 NE2 GLN A 31 -6.104 -2.925 -7.869 1.00 0.00 N ATOM 0 H GLN A 31 -2.048 -5.400 -6.538 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.426 -7.009 -6.349 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.392 -5.569 -8.807 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.051 -5.923 -8.371 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.755 -4.390 -6.346 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.192 -3.935 -6.995 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.598 -3.416 -7.124 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.579 -2.198 -8.403 1.00 0.00 H new ATOM 505 N ASP A 32 -1.819 -8.128 -7.932 1.00 0.00 N ATOM 506 CA ASP A 32 -1.248 -9.289 -8.603 1.00 0.00 C ATOM 507 C ASP A 32 -1.334 -10.465 -7.622 1.00 0.00 C ATOM 508 O ASP A 32 -1.709 -11.572 -8.015 1.00 0.00 O ATOM 509 CB ASP A 32 0.193 -8.983 -9.055 1.00 0.00 C ATOM 510 CG ASP A 32 1.111 -10.208 -9.118 1.00 0.00 C ATOM 511 OD1 ASP A 32 0.751 -11.225 -9.750 1.00 0.00 O ATOM 512 OD2 ASP A 32 2.218 -10.129 -8.533 1.00 0.00 O ATOM 0 H ASP A 32 -1.122 -7.457 -7.609 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.796 -9.546 -9.510 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.161 -8.518 -10.040 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.628 -8.253 -8.372 1.00 0.00 H new ATOM 517 N LYS A 33 -1.116 -10.227 -6.318 1.00 0.00 N ATOM 518 CA LYS A 33 -1.154 -11.273 -5.291 1.00 0.00 C ATOM 519 C LYS A 33 -2.493 -11.458 -4.565 1.00 0.00 C ATOM 520 O LYS A 33 -2.658 -12.494 -3.921 1.00 0.00 O ATOM 521 CB LYS A 33 0.017 -11.067 -4.307 1.00 0.00 C ATOM 522 CG LYS A 33 1.334 -11.483 -4.974 1.00 0.00 C ATOM 523 CD LYS A 33 2.530 -11.431 -4.019 1.00 0.00 C ATOM 524 CE LYS A 33 3.800 -12.005 -4.670 1.00 0.00 C ATOM 525 NZ LYS A 33 3.663 -13.441 -5.001 1.00 0.00 N ATOM 0 H LYS A 33 -0.908 -9.299 -5.949 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.040 -12.217 -5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.068 -10.022 -4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.146 -11.656 -3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.233 -12.495 -5.366 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.527 -10.829 -5.825 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.710 -10.399 -3.716 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.298 -11.993 -3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.025 -11.445 -5.578 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.645 -11.869 -3.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.604 -13.848 -5.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.215 -13.939 -4.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.074 -13.547 -5.851 1.00 0.00 H new ATOM 539 N GLU A 34 -3.435 -10.512 -4.591 1.00 0.00 N ATOM 540 CA GLU A 34 -4.746 -10.603 -3.932 1.00 0.00 C ATOM 541 C GLU A 34 -5.788 -10.076 -4.925 1.00 0.00 C ATOM 542 O GLU A 34 -5.493 -9.167 -5.703 1.00 0.00 O ATOM 543 CB GLU A 34 -4.717 -9.735 -2.652 1.00 0.00 C ATOM 544 CG GLU A 34 -5.959 -9.762 -1.742 1.00 0.00 C ATOM 545 CD GLU A 34 -5.986 -10.871 -0.676 1.00 0.00 C ATOM 546 OE1 GLU A 34 -5.117 -11.776 -0.671 1.00 0.00 O ATOM 547 OE2 GLU A 34 -6.877 -10.809 0.202 1.00 0.00 O ATOM 0 H GLU A 34 -3.304 -9.631 -5.087 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.990 -11.627 -3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.858 -10.044 -2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.543 -8.701 -2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.038 -8.799 -1.238 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.844 -9.867 -2.370 1.00 0.00 H new ATOM 554 N GLY A 35 -7.024 -10.570 -4.867 1.00 0.00 N ATOM 555 CA GLY A 35 -8.084 -10.151 -5.770 1.00 0.00 C ATOM 556 C GLY A 35 -8.749 -8.872 -5.285 1.00 0.00 C ATOM 557 O GLY A 35 -9.779 -8.949 -4.610 1.00 0.00 O ATOM 0 H GLY A 35 -7.315 -11.274 -4.189 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.674 -9.995 -6.768 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.829 -10.942 -5.852 1.00 0.00 H new ATOM 561 N ILE A 36 -8.200 -7.703 -5.627 1.00 0.00 N ATOM 562 CA ILE A 36 -8.750 -6.405 -5.225 1.00 0.00 C ATOM 563 C ILE A 36 -8.642 -5.366 -6.352 1.00 0.00 C ATOM 564 O ILE A 36 -7.520 -4.959 -6.657 1.00 0.00 O ATOM 565 CB ILE A 36 -8.070 -5.880 -3.938 1.00 0.00 C ATOM 566 CG1 ILE A 36 -6.550 -6.171 -3.865 1.00 0.00 C ATOM 567 CG2 ILE A 36 -8.800 -6.447 -2.710 1.00 0.00 C ATOM 568 CD1 ILE A 36 -5.807 -5.330 -2.826 1.00 0.00 C ATOM 0 H ILE A 36 -7.356 -7.630 -6.195 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.808 -6.560 -5.015 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.151 -4.793 -3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.403 -7.227 -3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.108 -5.993 -4.845 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.323 -6.079 -1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.842 -6.129 -2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.753 -7.536 -2.729 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.749 -5.592 -2.835 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.922 -4.273 -3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.220 -5.526 -1.837 1.00 0.00 H new ATOM 580 N PRO A 37 -9.746 -4.952 -7.007 1.00 0.00 N ATOM 581 CA PRO A 37 -9.705 -3.941 -8.061 1.00 0.00 C ATOM 582 C PRO A 37 -9.208 -2.597 -7.501 1.00 0.00 C ATOM 583 O PRO A 37 -9.274 -2.378 -6.289 1.00 0.00 O ATOM 584 CB PRO A 37 -11.151 -3.778 -8.545 1.00 0.00 C ATOM 585 CG PRO A 37 -11.877 -5.022 -8.040 1.00 0.00 C ATOM 586 CD PRO A 37 -11.116 -5.363 -6.763 1.00 0.00 C ATOM 0 HA PRO A 37 -9.030 -4.241 -8.863 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.601 -2.869 -8.146 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.198 -3.707 -9.632 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.930 -4.823 -7.842 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.837 -5.836 -8.764 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.536 -4.839 -5.904 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.173 -6.429 -6.545 1.00 0.00 H new ATOM 594 N PRO A 38 -8.751 -1.649 -8.340 1.00 0.00 N ATOM 595 CA PRO A 38 -8.284 -0.348 -7.875 1.00 0.00 C ATOM 596 C PRO A 38 -9.508 0.569 -7.718 1.00 0.00 C ATOM 597 O PRO A 38 -9.530 1.694 -8.220 1.00 0.00 O ATOM 598 CB PRO A 38 -7.301 0.109 -8.958 1.00 0.00 C ATOM 599 CG PRO A 38 -7.932 -0.449 -10.232 1.00 0.00 C ATOM 600 CD PRO A 38 -8.605 -1.752 -9.779 1.00 0.00 C ATOM 0 HA PRO A 38 -7.786 -0.351 -6.906 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.210 1.195 -8.992 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.300 -0.290 -8.792 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.656 0.247 -10.656 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.181 -0.635 -11.000 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.574 -1.878 -10.261 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.000 -2.618 -10.049 1.00 0.00 H new ATOM 608 N ASP A 39 -10.464 0.121 -6.909 1.00 0.00 N ATOM 609 CA ASP A 39 -11.757 0.695 -6.560 1.00 0.00 C ATOM 610 C ASP A 39 -11.937 0.305 -5.108 1.00 0.00 C ATOM 611 O ASP A 39 -11.647 -0.834 -4.727 1.00 0.00 O ATOM 612 CB ASP A 39 -12.871 0.082 -7.416 1.00 0.00 C ATOM 613 CG ASP A 39 -14.272 0.546 -7.002 1.00 0.00 C ATOM 614 OD1 ASP A 39 -14.427 1.629 -6.384 1.00 0.00 O ATOM 615 OD2 ASP A 39 -15.233 -0.195 -7.310 1.00 0.00 O ATOM 0 H ASP A 39 -10.331 -0.765 -6.422 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.800 1.772 -6.725 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.703 0.342 -8.461 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -12.819 -1.004 -7.346 1.00 0.00 H new ATOM 620 N GLN A 40 -12.356 1.281 -4.303 1.00 0.00 N ATOM 621 CA GLN A 40 -12.540 1.165 -2.864 1.00 0.00 C ATOM 622 C GLN A 40 -11.254 0.576 -2.287 1.00 0.00 C ATOM 623 O GLN A 40 -11.265 -0.389 -1.527 1.00 0.00 O ATOM 624 CB GLN A 40 -13.818 0.386 -2.509 1.00 0.00 C ATOM 625 CG GLN A 40 -15.112 1.044 -3.012 1.00 0.00 C ATOM 626 CD GLN A 40 -15.069 2.569 -2.925 1.00 0.00 C ATOM 627 OE1 GLN A 40 -15.072 3.151 -1.841 1.00 0.00 O ATOM 628 NE2 GLN A 40 -14.939 3.238 -4.059 1.00 0.00 N ATOM 0 H GLN A 40 -12.585 2.211 -4.654 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.705 2.141 -2.407 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.747 -0.618 -2.927 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.875 0.277 -1.426 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -15.287 0.748 -4.046 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.954 0.674 -2.427 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.939 2.739 -4.948 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.839 4.253 -4.044 1.00 0.00 H new ATOM 637 N ASN A 41 -10.124 1.172 -2.677 1.00 0.00 N ATOM 638 CA ASN A 41 -8.815 0.743 -2.233 1.00 0.00 C ATOM 639 C ASN A 41 -7.887 1.937 -2.145 1.00 0.00 C ATOM 640 O ASN A 41 -7.764 2.688 -3.117 1.00 0.00 O ATOM 641 CB ASN A 41 -8.212 -0.275 -3.229 1.00 0.00 C ATOM 642 CG ASN A 41 -8.406 -1.708 -2.767 1.00 0.00 C ATOM 643 OD1 ASN A 41 -7.585 -2.226 -2.011 1.00 0.00 O ATOM 644 ND2 ASN A 41 -9.477 -2.359 -3.178 1.00 0.00 N ATOM 0 H ASN A 41 -10.102 1.969 -3.313 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.923 0.275 -1.254 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.676 -0.144 -4.207 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.148 -0.075 -3.352 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.641 -3.317 -2.869 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.141 -1.904 -3.805 1.00 0.00 H new ATOM 651 N ARG A 42 -7.160 2.047 -1.036 1.00 0.00 N ATOM 652 CA ARG A 42 -6.191 3.099 -0.765 1.00 0.00 C ATOM 653 C ARG A 42 -5.205 2.504 0.230 1.00 0.00 C ATOM 654 O ARG A 42 -5.605 1.891 1.223 1.00 0.00 O ATOM 655 CB ARG A 42 -6.857 4.368 -0.196 1.00 0.00 C ATOM 656 CG ARG A 42 -5.808 5.433 0.171 1.00 0.00 C ATOM 657 CD ARG A 42 -6.361 6.652 0.910 1.00 0.00 C ATOM 658 NE ARG A 42 -7.030 7.635 0.046 1.00 0.00 N ATOM 659 CZ ARG A 42 -6.469 8.695 -0.552 1.00 0.00 C ATOM 660 NH1 ARG A 42 -5.146 8.819 -0.596 1.00 0.00 N ATOM 661 NH2 ARG A 42 -7.241 9.640 -1.081 1.00 0.00 N ATOM 0 H ARG A 42 -7.235 1.376 -0.271 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.698 3.418 -1.683 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.552 4.777 -0.929 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.441 4.110 0.687 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.041 4.968 0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.319 5.771 -0.743 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.067 6.313 1.668 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.543 7.145 1.435 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.027 7.496 -0.116 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.553 8.105 -0.173 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.724 9.628 -1.053 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.256 9.556 -1.031 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.818 10.448 -1.537 1.00 0.00 H new ATOM 675 N LEU A 43 -3.922 2.704 -0.039 1.00 0.00 N ATOM 676 CA LEU A 43 -2.815 2.229 0.769 1.00 0.00 C ATOM 677 C LEU A 43 -2.517 3.294 1.829 1.00 0.00 C ATOM 678 O LEU A 43 -2.477 4.487 1.513 1.00 0.00 O ATOM 679 CB LEU A 43 -1.643 1.996 -0.192 1.00 0.00 C ATOM 680 CG LEU A 43 -0.448 1.255 0.417 1.00 0.00 C ATOM 681 CD1 LEU A 43 -0.773 -0.199 0.780 1.00 0.00 C ATOM 682 CD2 LEU A 43 0.694 1.271 -0.606 1.00 0.00 C ATOM 0 H LEU A 43 -3.615 3.224 -0.861 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.024 1.298 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.003 1.430 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.301 2.961 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.172 1.762 1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.111 -0.674 1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.584 -0.220 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.077 -0.739 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.558 0.749 -0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.370 0.774 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.967 2.302 -0.831 1.00 0.00 H new ATOM 694 N ILE A 44 -2.277 2.879 3.070 1.00 0.00 N ATOM 695 CA ILE A 44 -2.000 3.740 4.220 1.00 0.00 C ATOM 696 C ILE A 44 -0.712 3.262 4.897 1.00 0.00 C ATOM 697 O ILE A 44 -0.476 2.058 4.964 1.00 0.00 O ATOM 698 CB ILE A 44 -3.188 3.633 5.218 1.00 0.00 C ATOM 699 CG1 ILE A 44 -4.596 3.783 4.595 1.00 0.00 C ATOM 700 CG2 ILE A 44 -3.047 4.600 6.409 1.00 0.00 C ATOM 701 CD1 ILE A 44 -4.885 5.151 3.968 1.00 0.00 C ATOM 0 H ILE A 44 -2.270 1.889 3.314 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.880 4.776 3.902 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.117 2.604 5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.722 3.016 3.831 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.341 3.589 5.367 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.902 4.484 7.075 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.130 4.375 6.954 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.009 5.626 6.042 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.895 5.158 3.559 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.797 5.926 4.729 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.169 5.344 3.169 1.00 0.00 H new ATOM 713 N PHE A 45 0.111 4.166 5.431 1.00 0.00 N ATOM 714 CA PHE A 45 1.348 3.825 6.139 1.00 0.00 C ATOM 715 C PHE A 45 1.402 4.704 7.376 1.00 0.00 C ATOM 716 O PHE A 45 1.291 5.919 7.240 1.00 0.00 O ATOM 717 CB PHE A 45 2.609 4.056 5.296 1.00 0.00 C ATOM 718 CG PHE A 45 3.876 3.977 6.130 1.00 0.00 C ATOM 719 CD1 PHE A 45 4.316 2.749 6.665 1.00 0.00 C ATOM 720 CD2 PHE A 45 4.559 5.163 6.460 1.00 0.00 C ATOM 721 CE1 PHE A 45 5.433 2.717 7.517 1.00 0.00 C ATOM 722 CE2 PHE A 45 5.689 5.125 7.292 1.00 0.00 C ATOM 723 CZ PHE A 45 6.123 3.901 7.825 1.00 0.00 C ATOM 0 H PHE A 45 -0.065 5.170 5.384 1.00 0.00 H new ATOM 0 HA PHE A 45 1.333 2.762 6.380 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.653 3.313 4.499 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.551 5.034 4.818 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.796 1.835 6.420 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.211 6.108 6.070 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.762 1.778 7.937 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.223 6.035 7.521 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.987 3.870 8.472 1.00 0.00 H new ATOM 733 N ALA A 46 1.562 4.112 8.565 1.00 0.00 N ATOM 734 CA ALA A 46 1.617 4.833 9.840 1.00 0.00 C ATOM 735 C ALA A 46 0.419 5.789 9.994 1.00 0.00 C ATOM 736 O ALA A 46 0.546 6.881 10.549 1.00 0.00 O ATOM 737 CB ALA A 46 2.975 5.543 9.959 1.00 0.00 C ATOM 0 H ALA A 46 1.658 3.102 8.669 1.00 0.00 H new ATOM 0 HA ALA A 46 1.535 4.128 10.667 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.022 6.081 10.906 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.776 4.805 9.921 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.091 6.247 9.135 1.00 0.00 H new ATOM 743 N GLY A 47 -0.744 5.417 9.451 1.00 0.00 N ATOM 744 CA GLY A 47 -1.967 6.212 9.491 1.00 0.00 C ATOM 745 C GLY A 47 -1.992 7.306 8.413 1.00 0.00 C ATOM 746 O GLY A 47 -3.027 7.940 8.216 1.00 0.00 O ATOM 0 H GLY A 47 -0.860 4.531 8.959 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.827 5.556 9.359 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.065 6.673 10.474 1.00 0.00 H new ATOM 750 N LYS A 48 -0.874 7.594 7.739 1.00 0.00 N ATOM 751 CA LYS A 48 -0.789 8.604 6.693 1.00 0.00 C ATOM 752 C LYS A 48 -1.353 7.993 5.420 1.00 0.00 C ATOM 753 O LYS A 48 -0.974 6.884 5.031 1.00 0.00 O ATOM 754 CB LYS A 48 0.657 9.089 6.501 1.00 0.00 C ATOM 755 CG LYS A 48 0.697 10.272 5.517 1.00 0.00 C ATOM 756 CD LYS A 48 2.057 10.972 5.422 1.00 0.00 C ATOM 757 CE LYS A 48 2.457 11.612 6.756 1.00 0.00 C ATOM 758 NZ LYS A 48 3.541 12.597 6.592 1.00 0.00 N ATOM 0 H LYS A 48 0.012 7.119 7.913 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.367 9.486 6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.077 9.391 7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.275 8.273 6.125 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.416 9.914 4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.054 11.003 5.816 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.817 10.251 5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.019 11.738 4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.589 12.099 7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.776 10.834 7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.781 13.006 7.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.379 12.128 6.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.229 13.353 5.950 1.00 0.00 H new ATOM 772 N GLN A 49 -2.279 8.705 4.792 1.00 0.00 N ATOM 773 CA GLN A 49 -2.928 8.276 3.568 1.00 0.00 C ATOM 774 C GLN A 49 -1.939 8.439 2.422 1.00 0.00 C ATOM 775 O GLN A 49 -1.288 9.480 2.320 1.00 0.00 O ATOM 776 CB GLN A 49 -4.194 9.106 3.315 1.00 0.00 C ATOM 777 CG GLN A 49 -5.186 9.079 4.492 1.00 0.00 C ATOM 778 CD GLN A 49 -4.875 10.089 5.598 1.00 0.00 C ATOM 779 OE1 GLN A 49 -4.143 11.058 5.393 1.00 0.00 O ATOM 780 NE2 GLN A 49 -5.407 9.875 6.787 1.00 0.00 N ATOM 0 H GLN A 49 -2.603 9.612 5.127 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.229 7.232 3.649 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.909 10.138 3.113 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.692 8.732 2.420 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.189 9.271 4.111 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.195 8.077 4.922 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.011 9.067 6.938 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.214 10.518 7.555 1.00 0.00 H new ATOM 789 N LEU A 50 -1.854 7.446 1.542 1.00 0.00 N ATOM 790 CA LEU A 50 -0.946 7.434 0.404 1.00 0.00 C ATOM 791 C LEU A 50 -1.738 7.257 -0.884 1.00 0.00 C ATOM 792 O LEU A 50 -2.878 6.780 -0.861 1.00 0.00 O ATOM 793 CB LEU A 50 0.073 6.279 0.505 1.00 0.00 C ATOM 794 CG LEU A 50 0.578 5.888 1.907 1.00 0.00 C ATOM 795 CD1 LEU A 50 1.399 4.601 1.804 1.00 0.00 C ATOM 796 CD2 LEU A 50 1.424 6.980 2.563 1.00 0.00 C ATOM 0 H LEU A 50 -2.430 6.607 1.604 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.410 8.383 0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.376 5.395 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.939 6.542 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.299 5.742 2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.759 4.319 2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.775 3.802 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.249 4.764 1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.750 6.645 3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.296 7.186 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.830 7.888 2.667 1.00 0.00 H new ATOM 808 N GLU A 51 -1.163 7.712 -1.988 1.00 0.00 N ATOM 809 CA GLU A 51 -1.663 7.629 -3.352 1.00 0.00 C ATOM 810 C GLU A 51 -0.473 7.865 -4.292 1.00 0.00 C ATOM 811 O GLU A 51 0.656 8.095 -3.837 1.00 0.00 O ATOM 812 CB GLU A 51 -2.919 8.473 -3.616 1.00 0.00 C ATOM 813 CG GLU A 51 -2.757 9.986 -3.498 1.00 0.00 C ATOM 814 CD GLU A 51 -4.023 10.591 -2.906 1.00 0.00 C ATOM 815 OE1 GLU A 51 -3.952 11.055 -1.748 1.00 0.00 O ATOM 816 OE2 GLU A 51 -5.128 10.426 -3.471 1.00 0.00 O ATOM 0 H GLU A 51 -0.261 8.187 -1.949 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.058 6.633 -3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.279 8.245 -4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.696 8.157 -2.919 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.900 10.222 -2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.560 10.418 -4.479 1.00 0.00 H new ATOM 823 N ASP A 52 -0.747 7.860 -5.589 1.00 0.00 N ATOM 824 CA ASP A 52 0.186 7.988 -6.691 1.00 0.00 C ATOM 825 C ASP A 52 0.772 9.386 -6.816 1.00 0.00 C ATOM 826 O ASP A 52 0.285 10.360 -6.237 1.00 0.00 O ATOM 827 CB ASP A 52 -0.540 7.623 -7.995 1.00 0.00 C ATOM 828 CG ASP A 52 -1.708 8.566 -8.288 1.00 0.00 C ATOM 829 OD1 ASP A 52 -2.788 8.424 -7.662 1.00 0.00 O ATOM 830 OD2 ASP A 52 -1.568 9.451 -9.153 1.00 0.00 O ATOM 0 H ASP A 52 -1.706 7.758 -5.920 1.00 0.00 H new ATOM 0 HA ASP A 52 1.019 7.312 -6.497 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.167 7.654 -8.824 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.909 6.599 -7.929 1.00 0.00 H new ATOM 835 N GLY A 53 1.900 9.432 -7.521 1.00 0.00 N ATOM 836 CA GLY A 53 2.707 10.611 -7.788 1.00 0.00 C ATOM 837 C GLY A 53 3.953 10.613 -6.899 1.00 0.00 C ATOM 838 O GLY A 53 4.964 11.207 -7.276 1.00 0.00 O ATOM 0 H GLY A 53 2.296 8.593 -7.945 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.001 10.629 -8.838 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.120 11.511 -7.605 1.00 0.00 H new ATOM 842 N ARG A 54 3.877 10.005 -5.707 1.00 0.00 N ATOM 843 CA ARG A 54 4.981 9.898 -4.743 1.00 0.00 C ATOM 844 C ARG A 54 5.536 8.474 -4.651 1.00 0.00 C ATOM 845 O ARG A 54 4.864 7.523 -5.064 1.00 0.00 O ATOM 846 CB ARG A 54 4.574 10.528 -3.402 1.00 0.00 C ATOM 847 CG ARG A 54 4.695 12.058 -3.451 1.00 0.00 C ATOM 848 CD ARG A 54 4.430 12.694 -2.080 1.00 0.00 C ATOM 849 NE ARG A 54 3.853 14.042 -2.212 1.00 0.00 N ATOM 850 CZ ARG A 54 3.610 14.897 -1.213 1.00 0.00 C ATOM 851 NH1 ARG A 54 3.660 14.490 0.050 1.00 0.00 N ATOM 852 NH2 ARG A 54 3.337 16.164 -1.493 1.00 0.00 N ATOM 0 H ARG A 54 3.020 9.561 -5.377 1.00 0.00 H new ATOM 0 HA ARG A 54 5.830 10.479 -5.103 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.548 10.249 -3.162 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.206 10.135 -2.605 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.693 12.333 -3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.988 12.456 -4.179 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.751 12.061 -1.509 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.362 12.750 -1.517 1.00 0.00 H new ATOM 0 HE ARG A 54 3.616 14.353 -3.154 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.885 13.519 0.264 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.473 15.149 0.806 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.314 16.478 -2.463 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.150 16.824 -0.738 1.00 0.00 H new ATOM 866 N THR A 55 6.720 8.336 -4.046 1.00 0.00 N ATOM 867 CA THR A 55 7.462 7.094 -3.845 1.00 0.00 C ATOM 868 C THR A 55 7.667 6.784 -2.350 1.00 0.00 C ATOM 869 O THR A 55 7.356 7.615 -1.490 1.00 0.00 O ATOM 870 CB THR A 55 8.823 7.194 -4.573 1.00 0.00 C ATOM 871 OG1 THR A 55 9.657 8.200 -4.015 1.00 0.00 O ATOM 872 CG2 THR A 55 8.715 7.441 -6.079 1.00 0.00 C ATOM 0 H THR A 55 7.214 9.141 -3.661 1.00 0.00 H new ATOM 0 HA THR A 55 6.880 6.272 -4.262 1.00 0.00 H new ATOM 0 HB THR A 55 9.268 6.210 -4.425 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.274 9.083 -4.201 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.714 7.498 -6.511 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.165 6.623 -6.543 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.189 8.379 -6.257 1.00 0.00 H new ATOM 880 N LEU A 56 8.232 5.607 -2.033 1.00 0.00 N ATOM 881 CA LEU A 56 8.514 5.162 -0.659 1.00 0.00 C ATOM 882 C LEU A 56 9.299 6.227 0.112 1.00 0.00 C ATOM 883 O LEU A 56 8.972 6.546 1.255 1.00 0.00 O ATOM 884 CB LEU A 56 9.344 3.854 -0.641 1.00 0.00 C ATOM 885 CG LEU A 56 8.544 2.578 -0.321 1.00 0.00 C ATOM 886 CD1 LEU A 56 8.119 1.853 -1.596 1.00 0.00 C ATOM 887 CD2 LEU A 56 9.391 1.609 0.509 1.00 0.00 C ATOM 0 H LEU A 56 8.511 4.925 -2.739 1.00 0.00 H new ATOM 0 HA LEU A 56 7.547 4.989 -0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.821 3.731 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.142 3.958 0.094 1.00 0.00 H new ATOM 0 HG LEU A 56 7.660 2.888 0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.556 0.957 -1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.493 2.512 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.004 1.572 -2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.810 0.713 0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.285 1.335 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.681 2.089 1.444 1.00 0.00 H new ATOM 899 N SER A 57 10.337 6.772 -0.520 1.00 0.00 N ATOM 900 CA SER A 57 11.230 7.780 0.018 1.00 0.00 C ATOM 901 C SER A 57 10.471 9.040 0.425 1.00 0.00 C ATOM 902 O SER A 57 10.708 9.555 1.515 1.00 0.00 O ATOM 903 CB SER A 57 12.286 8.084 -1.058 1.00 0.00 C ATOM 904 OG SER A 57 13.010 9.263 -0.780 1.00 0.00 O ATOM 0 H SER A 57 10.585 6.503 -1.472 1.00 0.00 H new ATOM 0 HA SER A 57 11.711 7.410 0.924 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.978 7.245 -1.133 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.797 8.181 -2.027 1.00 0.00 H new ATOM 0 HG SER A 57 13.670 9.416 -1.488 1.00 0.00 H new ATOM 910 N ASP A 58 9.557 9.525 -0.416 1.00 0.00 N ATOM 911 CA ASP A 58 8.789 10.741 -0.143 1.00 0.00 C ATOM 912 C ASP A 58 7.975 10.582 1.128 1.00 0.00 C ATOM 913 O ASP A 58 8.003 11.452 1.999 1.00 0.00 O ATOM 914 CB ASP A 58 7.879 11.098 -1.320 1.00 0.00 C ATOM 915 CG ASP A 58 8.669 11.297 -2.605 1.00 0.00 C ATOM 916 OD1 ASP A 58 8.488 10.473 -3.526 1.00 0.00 O ATOM 917 OD2 ASP A 58 9.510 12.230 -2.646 1.00 0.00 O ATOM 0 H ASP A 58 9.328 9.085 -1.307 1.00 0.00 H new ATOM 0 HA ASP A 58 9.496 11.559 -0.005 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.144 10.306 -1.464 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.326 12.008 -1.089 1.00 0.00 H new ATOM 922 N TYR A 59 7.311 9.438 1.279 1.00 0.00 N ATOM 923 CA TYR A 59 6.497 9.142 2.447 1.00 0.00 C ATOM 924 C TYR A 59 7.365 8.646 3.620 1.00 0.00 C ATOM 925 O TYR A 59 6.823 8.354 4.687 1.00 0.00 O ATOM 926 CB TYR A 59 5.411 8.131 2.066 1.00 0.00 C ATOM 927 CG TYR A 59 4.365 8.642 1.090 1.00 0.00 C ATOM 928 CD1 TYR A 59 3.385 9.566 1.507 1.00 0.00 C ATOM 929 CD2 TYR A 59 4.334 8.149 -0.226 1.00 0.00 C ATOM 930 CE1 TYR A 59 2.344 9.939 0.635 1.00 0.00 C ATOM 931 CE2 TYR A 59 3.319 8.546 -1.109 1.00 0.00 C ATOM 932 CZ TYR A 59 2.292 9.409 -0.674 1.00 0.00 C ATOM 933 OH TYR A 59 1.254 9.724 -1.498 1.00 0.00 O ATOM 0 H TYR A 59 7.325 8.688 0.588 1.00 0.00 H new ATOM 0 HA TYR A 59 6.011 10.056 2.789 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.890 7.253 1.633 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.907 7.803 2.975 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.433 9.989 2.499 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.096 7.460 -0.559 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.584 10.631 0.967 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.324 8.189 -2.128 1.00 0.00 H new ATOM 0 HH TYR A 59 1.331 9.214 -2.331 1.00 0.00 H new ATOM 943 N ASN A 60 8.693 8.583 3.460 1.00 0.00 N ATOM 944 CA ASN A 60 9.700 8.145 4.431 1.00 0.00 C ATOM 945 C ASN A 60 9.385 6.736 4.962 1.00 0.00 C ATOM 946 O ASN A 60 9.454 6.461 6.162 1.00 0.00 O ATOM 947 CB ASN A 60 9.858 9.231 5.511 1.00 0.00 C ATOM 948 CG ASN A 60 10.884 8.901 6.589 1.00 0.00 C ATOM 949 OD1 ASN A 60 11.966 8.392 6.314 1.00 0.00 O ATOM 950 ND2 ASN A 60 10.569 9.190 7.837 1.00 0.00 N ATOM 0 H ASN A 60 9.124 8.859 2.578 1.00 0.00 H new ATOM 0 HA ASN A 60 10.675 8.036 3.956 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.143 10.167 5.030 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.891 9.398 5.986 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.229 8.990 8.589 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.666 9.613 8.050 1.00 0.00 H new ATOM 957 N ILE A 61 9.056 5.828 4.047 1.00 0.00 N ATOM 958 CA ILE A 61 8.733 4.432 4.312 1.00 0.00 C ATOM 959 C ILE A 61 10.063 3.673 4.275 1.00 0.00 C ATOM 960 O ILE A 61 10.827 3.801 3.312 1.00 0.00 O ATOM 961 CB ILE A 61 7.711 3.920 3.268 1.00 0.00 C ATOM 962 CG1 ILE A 61 6.404 4.739 3.364 1.00 0.00 C ATOM 963 CG2 ILE A 61 7.399 2.425 3.479 1.00 0.00 C ATOM 964 CD1 ILE A 61 5.358 4.436 2.284 1.00 0.00 C ATOM 0 H ILE A 61 9.005 6.058 3.055 1.00 0.00 H new ATOM 0 HA ILE A 61 8.259 4.287 5.283 1.00 0.00 H new ATOM 0 HB ILE A 61 8.151 4.044 2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.955 4.562 4.341 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.655 5.799 3.316 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.678 2.095 2.731 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.316 1.844 3.381 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.981 2.278 4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.480 5.063 2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.780 4.643 1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.069 3.387 2.341 1.00 0.00 H new ATOM 976 N GLN A 62 10.372 2.936 5.344 1.00 0.00 N ATOM 977 CA GLN A 62 11.596 2.148 5.474 1.00 0.00 C ATOM 978 C GLN A 62 11.312 0.664 5.218 1.00 0.00 C ATOM 979 O GLN A 62 10.167 0.278 4.962 1.00 0.00 O ATOM 980 CB GLN A 62 12.246 2.402 6.849 1.00 0.00 C ATOM 981 CG GLN A 62 12.481 3.892 7.164 1.00 0.00 C ATOM 982 CD GLN A 62 13.179 4.640 6.027 1.00 0.00 C ATOM 983 OE1 GLN A 62 14.276 4.287 5.595 1.00 0.00 O ATOM 984 NE2 GLN A 62 12.561 5.676 5.491 1.00 0.00 N ATOM 0 H GLN A 62 9.764 2.870 6.160 1.00 0.00 H new ATOM 0 HA GLN A 62 12.313 2.463 4.716 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.612 1.973 7.624 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.200 1.877 6.891 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.523 4.369 7.372 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.082 3.976 8.070 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.652 5.969 5.849 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.993 6.184 4.719 1.00 0.00 H new ATOM 993 N LYS A 63 12.360 -0.165 5.243 1.00 0.00 N ATOM 994 CA LYS A 63 12.256 -1.606 5.026 1.00 0.00 C ATOM 995 C LYS A 63 11.442 -2.256 6.143 1.00 0.00 C ATOM 996 O LYS A 63 11.337 -1.706 7.246 1.00 0.00 O ATOM 997 CB LYS A 63 13.647 -2.240 4.848 1.00 0.00 C ATOM 998 CG LYS A 63 14.547 -2.177 6.092 1.00 0.00 C ATOM 999 CD LYS A 63 15.945 -2.723 5.770 1.00 0.00 C ATOM 1000 CE LYS A 63 16.858 -2.570 6.993 1.00 0.00 C ATOM 1001 NZ LYS A 63 18.265 -2.878 6.672 1.00 0.00 N ATOM 0 H LYS A 63 13.314 0.152 5.417 1.00 0.00 H new ATOM 0 HA LYS A 63 11.718 -1.787 4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.521 -3.284 4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.156 -1.741 4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.623 -1.147 6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.101 -2.756 6.901 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.878 -3.773 5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.368 -2.187 4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.787 -1.551 7.373 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.514 -3.232 7.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.849 -2.763 7.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.337 -3.859 6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.602 -2.230 5.932 1.00 0.00 H new ATOM 1015 N GLU A 64 10.870 -3.417 5.848 1.00 0.00 N ATOM 1016 CA GLU A 64 10.032 -4.218 6.728 1.00 0.00 C ATOM 1017 C GLU A 64 8.931 -3.372 7.390 1.00 0.00 C ATOM 1018 O GLU A 64 8.660 -3.507 8.582 1.00 0.00 O ATOM 1019 CB GLU A 64 10.876 -5.048 7.717 1.00 0.00 C ATOM 1020 CG GLU A 64 11.501 -6.291 7.069 1.00 0.00 C ATOM 1021 CD GLU A 64 12.753 -5.978 6.255 1.00 0.00 C ATOM 1022 OE1 GLU A 64 12.637 -5.684 5.049 1.00 0.00 O ATOM 1023 OE2 GLU A 64 13.872 -6.102 6.804 1.00 0.00 O ATOM 0 H GLU A 64 10.987 -3.850 4.932 1.00 0.00 H new ATOM 0 HA GLU A 64 9.501 -4.951 6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.668 -4.421 8.127 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.248 -5.357 8.553 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.752 -7.011 7.847 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.763 -6.765 6.422 1.00 0.00 H new ATOM 1030 N SER A 65 8.325 -2.436 6.662 1.00 0.00 N ATOM 1031 CA SER A 65 7.240 -1.596 7.167 1.00 0.00 C ATOM 1032 C SER A 65 5.922 -2.374 7.015 1.00 0.00 C ATOM 1033 O SER A 65 5.873 -3.344 6.260 1.00 0.00 O ATOM 1034 CB SER A 65 7.219 -0.260 6.412 1.00 0.00 C ATOM 1035 OG SER A 65 7.586 -0.408 5.056 1.00 0.00 O ATOM 0 H SER A 65 8.576 -2.237 5.694 1.00 0.00 H new ATOM 0 HA SER A 65 7.385 -1.360 8.221 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.221 0.173 6.471 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.900 0.440 6.897 1.00 0.00 H new ATOM 0 HG SER A 65 8.561 -0.358 4.974 1.00 0.00 H new ATOM 1041 N THR A 66 4.859 -1.990 7.726 1.00 0.00 N ATOM 1042 CA THR A 66 3.555 -2.641 7.650 1.00 0.00 C ATOM 1043 C THR A 66 2.506 -1.573 7.344 1.00 0.00 C ATOM 1044 O THR A 66 2.151 -0.740 8.185 1.00 0.00 O ATOM 1045 CB THR A 66 3.265 -3.479 8.902 1.00 0.00 C ATOM 1046 OG1 THR A 66 4.126 -4.599 8.953 1.00 0.00 O ATOM 1047 CG2 THR A 66 1.843 -4.040 8.864 1.00 0.00 C ATOM 0 H THR A 66 4.883 -1.207 8.379 1.00 0.00 H new ATOM 0 HA THR A 66 3.533 -3.369 6.839 1.00 0.00 H new ATOM 0 HB THR A 66 3.406 -2.824 9.762 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.932 -5.125 9.757 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.661 -4.630 9.762 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.129 -3.218 8.819 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.725 -4.672 7.984 1.00 0.00 H new ATOM 1055 N LEU A 67 1.993 -1.622 6.120 1.00 0.00 N ATOM 1056 CA LEU A 67 1.001 -0.707 5.591 1.00 0.00 C ATOM 1057 C LEU A 67 -0.391 -1.329 5.757 1.00 0.00 C ATOM 1058 O LEU A 67 -0.513 -2.526 6.030 1.00 0.00 O ATOM 1059 CB LEU A 67 1.340 -0.451 4.109 1.00 0.00 C ATOM 1060 CG LEU A 67 2.649 0.342 3.875 1.00 0.00 C ATOM 1061 CD1 LEU A 67 3.947 -0.465 4.041 1.00 0.00 C ATOM 1062 CD2 LEU A 67 2.661 0.922 2.460 1.00 0.00 C ATOM 0 H LEU A 67 2.272 -2.333 5.444 1.00 0.00 H new ATOM 0 HA LEU A 67 1.005 0.244 6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.415 -1.410 3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.514 0.092 3.650 1.00 0.00 H new ATOM 0 HG LEU A 67 2.641 1.108 4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.804 0.182 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.003 -0.860 5.056 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.956 -1.291 3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.585 1.479 2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.598 0.111 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.809 1.590 2.333 1.00 0.00 H new ATOM 1074 N HIS A 68 -1.442 -0.515 5.673 1.00 0.00 N ATOM 1075 CA HIS A 68 -2.840 -0.928 5.791 1.00 0.00 C ATOM 1076 C HIS A 68 -3.597 -0.587 4.500 1.00 0.00 C ATOM 1077 O HIS A 68 -3.127 0.226 3.701 1.00 0.00 O ATOM 1078 CB HIS A 68 -3.465 -0.293 7.043 1.00 0.00 C ATOM 1079 CG HIS A 68 -4.515 -1.151 7.706 1.00 0.00 C ATOM 1080 ND1 HIS A 68 -4.276 -2.126 8.651 1.00 0.00 N ATOM 1081 CD2 HIS A 68 -5.870 -1.071 7.530 1.00 0.00 C ATOM 1082 CE1 HIS A 68 -5.462 -2.628 9.033 1.00 0.00 C ATOM 1083 NE2 HIS A 68 -6.465 -1.994 8.399 1.00 0.00 N ATOM 0 H HIS A 68 -1.340 0.487 5.515 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.906 -2.009 5.917 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.675 -0.081 7.764 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -3.911 0.663 6.769 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -6.387 -0.415 6.845 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -5.592 -3.427 9.748 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -7.464 -2.154 8.526 1.00 0.00 H new ATOM 1091 N LEU A 69 -4.771 -1.191 4.296 1.00 0.00 N ATOM 1092 CA LEU A 69 -5.649 -1.000 3.137 1.00 0.00 C ATOM 1093 C LEU A 69 -7.027 -0.544 3.644 1.00 0.00 C ATOM 1094 O LEU A 69 -7.564 -1.167 4.569 1.00 0.00 O ATOM 1095 CB LEU A 69 -5.675 -2.321 2.339 1.00 0.00 C ATOM 1096 CG LEU A 69 -4.447 -2.465 1.413 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -4.294 -3.910 0.921 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -4.495 -1.547 0.184 1.00 0.00 C ATOM 0 H LEU A 69 -5.154 -1.858 4.966 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.295 -0.224 2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.707 -3.162 3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.586 -2.365 1.742 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.595 -2.171 2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.422 -3.983 0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.166 -4.574 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.185 -4.202 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.601 -1.702 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.379 -1.779 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.538 -0.507 0.508 1.00 0.00 H new ATOM 1110 N VAL A 70 -7.576 0.567 3.129 1.00 0.00 N ATOM 1111 CA VAL A 70 -8.876 1.106 3.555 1.00 0.00 C ATOM 1112 C VAL A 70 -9.729 1.674 2.411 1.00 0.00 C ATOM 1113 O VAL A 70 -9.241 1.961 1.313 1.00 0.00 O ATOM 1114 CB VAL A 70 -8.662 2.217 4.616 1.00 0.00 C ATOM 1115 CG1 VAL A 70 -7.799 1.782 5.811 1.00 0.00 C ATOM 1116 CG2 VAL A 70 -8.042 3.490 4.018 1.00 0.00 C ATOM 0 H VAL A 70 -7.126 1.120 2.400 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.425 0.260 3.967 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.669 2.425 4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.696 2.614 6.508 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.275 0.942 6.317 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.813 1.481 5.457 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.914 4.235 4.803 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.072 3.252 3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.700 3.887 3.245 1.00 0.00 H new ATOM 1126 N LEU A 71 -11.023 1.849 2.694 1.00 0.00 N ATOM 1127 CA LEU A 71 -12.050 2.418 1.827 1.00 0.00 C ATOM 1128 C LEU A 71 -13.011 3.257 2.682 1.00 0.00 C ATOM 1129 O LEU A 71 -12.738 3.512 3.860 1.00 0.00 O ATOM 1130 CB LEU A 71 -12.791 1.313 1.050 1.00 0.00 C ATOM 1131 CG LEU A 71 -13.717 0.411 1.904 1.00 0.00 C ATOM 1132 CD1 LEU A 71 -15.022 0.100 1.170 1.00 0.00 C ATOM 1133 CD2 LEU A 71 -13.039 -0.908 2.265 1.00 0.00 C ATOM 0 H LEU A 71 -11.404 1.576 3.600 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.586 3.064 1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.388 1.780 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.053 0.682 0.555 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.933 0.968 2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.649 -0.535 1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.548 1.030 0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.800 -0.417 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.718 -1.514 2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.781 -1.446 1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.133 -0.707 2.836 1.00 0.00 H new