USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=13 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= -0.262 K(o=-0.24,f=-1.1) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.0247 X(o=-0.24,f=-0.69) USER MOD Set 2.1: A 7 THR OG1 : rot 130:sc= 1.22 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.05 USER MOD Single : A 1 MET CE :methyl 145:sc= -0.242 (180deg=-0.994) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0.352 X(o=0.35,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -165:sc= 1 (180deg=0.266) 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 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.883 K(o=0.88,f=-0.68) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.267 K(o=-0.27,f=-2.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.361 X(o=0.36,f=-0.059) USER MOD Single : A 41 ASN : amide:sc= 0.662 K(o=0.66,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.09 K(o=-1.1,f=-1.6) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 175:sc= 1.18 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -84:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0364 X(o=-0.036,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.993 -5.149 -0.155 1.00 0.00 N ATOM 2 CA MET A 1 13.994 -4.412 0.635 1.00 0.00 C ATOM 3 C MET A 1 12.615 -5.001 0.422 1.00 0.00 C ATOM 4 O MET A 1 12.195 -5.121 -0.727 1.00 0.00 O ATOM 5 CB MET A 1 13.985 -2.916 0.285 1.00 0.00 C ATOM 6 CG MET A 1 12.735 -2.171 0.792 1.00 0.00 C ATOM 7 SD MET A 1 12.666 -0.415 0.370 1.00 0.00 S ATOM 8 CE MET A 1 13.924 0.255 1.479 1.00 0.00 C ATOM 0 H1 MET A 1 15.934 -4.734 0.001 1.00 0.00 H new ATOM 0 H2 MET A 1 15.001 -6.146 0.139 1.00 0.00 H new ATOM 0 H3 MET A 1 14.751 -5.088 -1.165 1.00 0.00 H new ATOM 0 HA MET A 1 14.269 -4.509 1.685 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.874 -2.447 0.708 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.050 -2.804 -0.797 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.850 -2.661 0.387 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.687 -2.270 1.876 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.441 1.079 0.987 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.449 0.617 2.391 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.642 -0.526 1.729 1.00 0.00 H new ATOM 18 N GLN A 2 11.965 -5.466 1.491 1.00 0.00 N ATOM 19 CA GLN A 2 10.612 -5.994 1.455 1.00 0.00 C ATOM 20 C GLN A 2 9.756 -5.162 2.421 1.00 0.00 C ATOM 21 O GLN A 2 10.286 -4.511 3.316 1.00 0.00 O ATOM 22 CB GLN A 2 10.542 -7.505 1.715 1.00 0.00 C ATOM 23 CG GLN A 2 10.946 -7.951 3.127 1.00 0.00 C ATOM 24 CD GLN A 2 10.551 -9.406 3.366 1.00 0.00 C ATOM 25 OE1 GLN A 2 10.973 -10.313 2.651 1.00 0.00 O ATOM 26 NE2 GLN A 2 9.732 -9.688 4.367 1.00 0.00 N ATOM 0 H GLN A 2 12.379 -5.484 2.423 1.00 0.00 H new ATOM 0 HA GLN A 2 10.210 -5.897 0.447 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.523 -7.842 1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.186 -8.010 0.995 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.022 -7.835 3.257 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.465 -7.312 3.867 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.379 -8.940 4.963 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.454 -10.654 4.542 1.00 0.00 H new ATOM 35 N ILE A 3 8.448 -5.082 2.211 1.00 0.00 N ATOM 36 CA ILE A 3 7.503 -4.387 3.082 1.00 0.00 C ATOM 37 C ILE A 3 6.333 -5.347 3.274 1.00 0.00 C ATOM 38 O ILE A 3 6.214 -6.329 2.529 1.00 0.00 O ATOM 39 CB ILE A 3 7.074 -2.994 2.557 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.324 -3.074 1.205 1.00 0.00 C ATOM 41 CG2 ILE A 3 8.275 -2.026 2.556 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.815 -1.723 0.689 1.00 0.00 C ATOM 0 H ILE A 3 7.999 -5.513 1.403 1.00 0.00 H new ATOM 0 HA ILE A 3 7.971 -4.144 4.036 1.00 0.00 H new ATOM 0 HB ILE A 3 6.339 -2.578 3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.989 -3.509 0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.477 -3.752 1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.957 -1.052 2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.658 -1.920 3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.060 -2.421 1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.302 -1.867 -0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.123 -1.294 1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.658 -1.047 0.548 1.00 0.00 H new ATOM 54 N PHE A 4 5.441 -5.032 4.206 1.00 0.00 N ATOM 55 CA PHE A 4 4.270 -5.832 4.491 1.00 0.00 C ATOM 56 C PHE A 4 3.044 -4.948 4.326 1.00 0.00 C ATOM 57 O PHE A 4 3.108 -3.743 4.581 1.00 0.00 O ATOM 58 CB PHE A 4 4.333 -6.406 5.909 1.00 0.00 C ATOM 59 CG PHE A 4 5.563 -7.242 6.205 1.00 0.00 C ATOM 60 CD1 PHE A 4 5.614 -8.590 5.805 1.00 0.00 C ATOM 61 CD2 PHE A 4 6.650 -6.674 6.896 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.738 -9.374 6.123 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.778 -7.455 7.200 1.00 0.00 C ATOM 64 CZ PHE A 4 7.815 -8.810 6.830 1.00 0.00 C ATOM 0 H PHE A 4 5.518 -4.200 4.790 1.00 0.00 H new ATOM 0 HA PHE A 4 4.221 -6.675 3.802 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.292 -5.582 6.621 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.447 -7.018 6.078 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.791 -9.022 5.255 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.617 -5.636 7.193 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.774 -10.411 5.824 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.617 -7.014 7.718 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.670 -9.418 7.088 1.00 0.00 H new ATOM 74 N VAL A 5 1.917 -5.534 3.929 1.00 0.00 N ATOM 75 CA VAL A 5 0.671 -4.811 3.741 1.00 0.00 C ATOM 76 C VAL A 5 -0.484 -5.653 4.285 1.00 0.00 C ATOM 77 O VAL A 5 -0.630 -6.804 3.887 1.00 0.00 O ATOM 78 CB VAL A 5 0.462 -4.415 2.259 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.566 -3.279 2.195 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.733 -3.937 1.528 1.00 0.00 C ATOM 0 H VAL A 5 1.847 -6.532 3.728 1.00 0.00 H new ATOM 0 HA VAL A 5 0.709 -3.875 4.299 1.00 0.00 H new ATOM 0 HB VAL A 5 0.132 -5.323 1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.724 -2.989 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.509 -3.617 2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.197 -2.422 2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.486 -3.683 0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.134 -3.058 2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.479 -4.732 1.537 1.00 0.00 H new ATOM 90 N LYS A 6 -1.297 -5.104 5.187 1.00 0.00 N ATOM 91 CA LYS A 6 -2.459 -5.786 5.764 1.00 0.00 C ATOM 92 C LYS A 6 -3.707 -5.415 4.952 1.00 0.00 C ATOM 93 O LYS A 6 -4.023 -4.225 4.852 1.00 0.00 O ATOM 94 CB LYS A 6 -2.618 -5.391 7.240 1.00 0.00 C ATOM 95 CG LYS A 6 -3.744 -6.156 7.963 1.00 0.00 C ATOM 96 CD LYS A 6 -3.399 -7.604 8.348 1.00 0.00 C ATOM 97 CE LYS A 6 -2.350 -7.718 9.454 1.00 0.00 C ATOM 98 NZ LYS A 6 -2.871 -7.407 10.799 1.00 0.00 N ATOM 0 H LYS A 6 -1.166 -4.158 5.544 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.320 -6.866 5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.676 -5.570 7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.818 -4.321 7.302 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.013 -5.609 8.867 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.626 -6.166 7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.309 -8.110 8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.038 -8.129 7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.945 -8.730 9.456 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.523 -7.044 9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.107 -7.504 11.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.232 -6.432 10.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.641 -8.065 11.034 1.00 0.00 H new ATOM 112 N THR A 7 -4.368 -6.379 4.310 1.00 0.00 N ATOM 113 CA THR A 7 -5.580 -6.142 3.519 1.00 0.00 C ATOM 114 C THR A 7 -6.826 -6.111 4.416 1.00 0.00 C ATOM 115 O THR A 7 -6.791 -6.588 5.552 1.00 0.00 O ATOM 116 CB THR A 7 -5.739 -7.273 2.486 1.00 0.00 C ATOM 117 OG1 THR A 7 -5.681 -8.517 3.144 1.00 0.00 O ATOM 118 CG2 THR A 7 -4.657 -7.239 1.406 1.00 0.00 C ATOM 0 H THR A 7 -4.076 -7.356 4.324 1.00 0.00 H new ATOM 0 HA THR A 7 -5.483 -5.178 3.020 1.00 0.00 H new ATOM 0 HB THR A 7 -6.703 -7.130 1.998 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.441 -9.070 2.867 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.817 -8.058 0.705 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.705 -6.290 0.873 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.676 -7.345 1.870 1.00 0.00 H new ATOM 126 N LEU A 8 -7.964 -5.627 3.889 1.00 0.00 N ATOM 127 CA LEU A 8 -9.239 -5.580 4.622 1.00 0.00 C ATOM 128 C LEU A 8 -9.831 -6.982 4.833 1.00 0.00 C ATOM 129 O LEU A 8 -10.897 -7.113 5.432 1.00 0.00 O ATOM 130 CB LEU A 8 -10.274 -4.656 3.954 1.00 0.00 C ATOM 131 CG LEU A 8 -11.032 -5.190 2.714 1.00 0.00 C ATOM 132 CD1 LEU A 8 -11.919 -4.061 2.179 1.00 0.00 C ATOM 133 CD2 LEU A 8 -10.182 -5.702 1.543 1.00 0.00 C ATOM 0 H LEU A 8 -8.025 -5.257 2.940 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.004 -5.157 5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.014 -4.385 4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.764 -3.738 3.663 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.574 -6.063 3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.465 -4.411 1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.627 -3.757 2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.297 -3.210 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.836 -6.046 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.549 -4.896 1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.557 -6.528 1.881 1.00 0.00 H new ATOM 145 N THR A 9 -9.177 -8.019 4.304 1.00 0.00 N ATOM 146 CA THR A 9 -9.578 -9.408 4.434 1.00 0.00 C ATOM 147 C THR A 9 -8.874 -10.030 5.650 1.00 0.00 C ATOM 148 O THR A 9 -9.242 -11.124 6.088 1.00 0.00 O ATOM 149 CB THR A 9 -9.248 -10.149 3.127 1.00 0.00 C ATOM 150 OG1 THR A 9 -7.888 -10.035 2.752 1.00 0.00 O ATOM 151 CG2 THR A 9 -10.056 -9.593 1.958 1.00 0.00 C ATOM 0 H THR A 9 -8.325 -7.903 3.756 1.00 0.00 H new ATOM 0 HA THR A 9 -10.652 -9.488 4.601 1.00 0.00 H new ATOM 0 HB THR A 9 -9.492 -11.192 3.331 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.737 -10.526 1.917 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.801 -10.137 1.048 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.120 -9.709 2.164 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.825 -8.536 1.826 1.00 0.00 H new ATOM 159 N GLY A 10 -7.833 -9.362 6.165 1.00 0.00 N ATOM 160 CA GLY A 10 -7.037 -9.746 7.312 1.00 0.00 C ATOM 161 C GLY A 10 -5.750 -10.453 6.915 1.00 0.00 C ATOM 162 O GLY A 10 -5.026 -10.915 7.800 1.00 0.00 O ATOM 0 H GLY A 10 -7.513 -8.484 5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.795 -8.858 7.896 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.624 -10.401 7.955 1.00 0.00 H new ATOM 166 N LYS A 11 -5.424 -10.537 5.617 1.00 0.00 N ATOM 167 CA LYS A 11 -4.203 -11.216 5.206 1.00 0.00 C ATOM 168 C LYS A 11 -3.024 -10.277 5.354 1.00 0.00 C ATOM 169 O LYS A 11 -3.184 -9.056 5.332 1.00 0.00 O ATOM 170 CB LYS A 11 -4.242 -11.543 3.697 1.00 0.00 C ATOM 171 CG LYS A 11 -5.382 -12.429 3.196 1.00 0.00 C ATOM 172 CD LYS A 11 -5.191 -13.924 3.452 1.00 0.00 C ATOM 173 CE LYS A 11 -3.936 -14.539 2.813 1.00 0.00 C ATOM 174 NZ LYS A 11 -3.983 -14.518 1.337 1.00 0.00 N ATOM 0 H LYS A 11 -5.980 -10.150 4.854 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.116 -12.113 5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.283 -10.601 3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.301 -12.025 3.433 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.309 -12.109 3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.503 -12.271 2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.151 -14.090 4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.067 -14.455 3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.055 -13.994 3.153 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.826 -15.568 3.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.256 -15.157 0.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.921 -14.831 1.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.805 -13.551 0.998 1.00 0.00 H new ATOM 188 N THR A 12 -1.833 -10.855 5.330 1.00 0.00 N ATOM 189 CA THR A 12 -0.585 -10.129 5.382 1.00 0.00 C ATOM 190 C THR A 12 -0.006 -10.399 3.996 1.00 0.00 C ATOM 191 O THR A 12 -0.030 -11.542 3.522 1.00 0.00 O ATOM 192 CB THR A 12 0.342 -10.652 6.494 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.349 -11.005 7.679 1.00 0.00 O ATOM 194 CG2 THR A 12 1.378 -9.588 6.864 1.00 0.00 C ATOM 0 H THR A 12 -1.711 -11.866 5.272 1.00 0.00 H new ATOM 0 HA THR A 12 -0.707 -9.071 5.612 1.00 0.00 H new ATOM 0 HB THR A 12 0.813 -11.547 6.088 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.291 -11.331 8.346 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.027 -9.971 7.652 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.977 -9.343 5.987 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.869 -8.692 7.217 1.00 0.00 H new ATOM 202 N ILE A 13 0.456 -9.364 3.316 1.00 0.00 N ATOM 203 CA ILE A 13 1.052 -9.436 1.992 1.00 0.00 C ATOM 204 C ILE A 13 2.500 -8.998 2.169 1.00 0.00 C ATOM 205 O ILE A 13 2.751 -8.127 2.999 1.00 0.00 O ATOM 206 CB ILE A 13 0.280 -8.509 1.025 1.00 0.00 C ATOM 207 CG1 ILE A 13 -1.259 -8.607 1.151 1.00 0.00 C ATOM 208 CG2 ILE A 13 0.719 -8.734 -0.434 1.00 0.00 C ATOM 209 CD1 ILE A 13 -1.874 -9.951 0.753 1.00 0.00 C ATOM 0 H ILE A 13 0.425 -8.413 3.685 1.00 0.00 H new ATOM 0 HA ILE A 13 1.008 -10.437 1.563 1.00 0.00 H new ATOM 0 HB ILE A 13 0.544 -7.495 1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.535 -8.394 2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.706 -7.827 0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.158 -8.068 -1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.784 -8.525 -0.530 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.525 -9.769 -0.717 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.956 -9.908 0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.639 -10.164 -0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.466 -10.739 1.385 1.00 0.00 H new ATOM 221 N THR A 14 3.422 -9.535 1.377 1.00 0.00 N ATOM 222 CA THR A 14 4.843 -9.208 1.399 1.00 0.00 C ATOM 223 C THR A 14 5.214 -8.800 -0.027 1.00 0.00 C ATOM 224 O THR A 14 4.851 -9.518 -0.964 1.00 0.00 O ATOM 225 CB THR A 14 5.675 -10.416 1.857 1.00 0.00 C ATOM 226 OG1 THR A 14 5.114 -11.038 2.993 1.00 0.00 O ATOM 227 CG2 THR A 14 7.112 -10.016 2.204 1.00 0.00 C ATOM 0 H THR A 14 3.191 -10.238 0.675 1.00 0.00 H new ATOM 0 HA THR A 14 5.049 -8.402 2.103 1.00 0.00 H new ATOM 0 HB THR A 14 5.676 -11.111 1.017 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.668 -11.803 3.255 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.668 -10.897 2.523 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.591 -9.583 1.326 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.101 -9.282 3.010 1.00 0.00 H new ATOM 235 N LEU A 15 5.883 -7.657 -0.211 1.00 0.00 N ATOM 236 CA LEU A 15 6.297 -7.165 -1.527 1.00 0.00 C ATOM 237 C LEU A 15 7.700 -6.583 -1.449 1.00 0.00 C ATOM 238 O LEU A 15 8.027 -5.917 -0.465 1.00 0.00 O ATOM 239 CB LEU A 15 5.354 -6.053 -2.019 1.00 0.00 C ATOM 240 CG LEU A 15 3.942 -6.511 -2.416 1.00 0.00 C ATOM 241 CD1 LEU A 15 3.133 -5.272 -2.809 1.00 0.00 C ATOM 242 CD2 LEU A 15 3.961 -7.496 -3.588 1.00 0.00 C ATOM 0 H LEU A 15 6.154 -7.043 0.557 1.00 0.00 H new ATOM 0 HA LEU A 15 6.267 -8.008 -2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.266 -5.302 -1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.814 -5.565 -2.878 1.00 0.00 H new ATOM 0 HG LEU A 15 3.494 -7.027 -1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.125 -5.572 -3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.081 -4.588 -1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.616 -4.774 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.940 -7.791 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.419 -7.020 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.538 -8.379 -3.312 1.00 0.00 H new ATOM 254 N GLU A 16 8.495 -6.781 -2.495 1.00 0.00 N ATOM 255 CA GLU A 16 9.868 -6.315 -2.652 1.00 0.00 C ATOM 256 C GLU A 16 9.805 -5.051 -3.522 1.00 0.00 C ATOM 257 O GLU A 16 9.550 -5.151 -4.722 1.00 0.00 O ATOM 258 CB GLU A 16 10.652 -7.479 -3.281 1.00 0.00 C ATOM 259 CG GLU A 16 12.154 -7.282 -3.508 1.00 0.00 C ATOM 260 CD GLU A 16 12.761 -8.588 -4.026 1.00 0.00 C ATOM 261 OE1 GLU A 16 12.571 -8.918 -5.223 1.00 0.00 O ATOM 262 OE2 GLU A 16 13.322 -9.366 -3.214 1.00 0.00 O ATOM 0 H GLU A 16 8.176 -7.306 -3.309 1.00 0.00 H new ATOM 0 HA GLU A 16 10.373 -6.044 -1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.520 -8.355 -2.646 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.195 -7.711 -4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.323 -6.479 -4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.639 -6.986 -2.578 1.00 0.00 H new ATOM 269 N VAL A 17 10.015 -3.866 -2.936 1.00 0.00 N ATOM 270 CA VAL A 17 9.960 -2.562 -3.622 1.00 0.00 C ATOM 271 C VAL A 17 11.180 -1.710 -3.228 1.00 0.00 C ATOM 272 O VAL A 17 12.102 -2.253 -2.614 1.00 0.00 O ATOM 273 CB VAL A 17 8.565 -1.890 -3.463 1.00 0.00 C ATOM 274 CG1 VAL A 17 7.399 -2.900 -3.501 1.00 0.00 C ATOM 275 CG2 VAL A 17 8.378 -1.024 -2.207 1.00 0.00 C ATOM 0 H VAL A 17 10.234 -3.782 -1.943 1.00 0.00 H new ATOM 0 HA VAL A 17 10.047 -2.694 -4.700 1.00 0.00 H new ATOM 0 HB VAL A 17 8.541 -1.232 -4.332 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.454 -2.369 -3.385 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.405 -3.427 -4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.513 -3.619 -2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.371 -0.606 -2.200 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.523 -1.637 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.107 -0.214 -2.212 1.00 0.00 H new ATOM 285 N GLU A 18 11.279 -0.428 -3.607 1.00 0.00 N ATOM 286 CA GLU A 18 12.440 0.393 -3.270 1.00 0.00 C ATOM 287 C GLU A 18 12.056 1.846 -2.982 1.00 0.00 C ATOM 288 O GLU A 18 10.940 2.246 -3.328 1.00 0.00 O ATOM 289 CB GLU A 18 13.478 0.254 -4.400 1.00 0.00 C ATOM 290 CG GLU A 18 13.050 0.913 -5.718 1.00 0.00 C ATOM 291 CD GLU A 18 14.116 0.705 -6.784 1.00 0.00 C ATOM 292 OE1 GLU A 18 13.830 0.022 -7.792 1.00 0.00 O ATOM 293 OE2 GLU A 18 15.266 1.138 -6.550 1.00 0.00 O ATOM 0 H GLU A 18 10.565 0.059 -4.148 1.00 0.00 H new ATOM 0 HA GLU A 18 12.885 0.037 -2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.419 0.696 -4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.668 -0.804 -4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.103 0.489 -6.053 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.885 1.979 -5.562 1.00 0.00 H new ATOM 300 N PRO A 19 12.957 2.658 -2.386 1.00 0.00 N ATOM 301 CA PRO A 19 12.687 4.055 -2.069 1.00 0.00 C ATOM 302 C PRO A 19 12.235 4.917 -3.243 1.00 0.00 C ATOM 303 O PRO A 19 11.536 5.907 -3.010 1.00 0.00 O ATOM 304 CB PRO A 19 13.987 4.630 -1.495 1.00 0.00 C ATOM 305 CG PRO A 19 14.703 3.408 -0.940 1.00 0.00 C ATOM 306 CD PRO A 19 14.294 2.308 -1.918 1.00 0.00 C ATOM 0 HA PRO A 19 11.849 4.075 -1.372 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.579 5.127 -2.263 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.790 5.367 -0.717 1.00 0.00 H new ATOM 0 HG2 PRO A 19 15.784 3.548 -0.916 1.00 0.00 H new ATOM 0 HG3 PRO A 19 14.388 3.182 0.079 1.00 0.00 H new ATOM 0 HD2 PRO A 19 14.995 2.247 -2.751 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.293 1.333 -1.430 1.00 0.00 H new ATOM 314 N SER A 20 12.543 4.521 -4.481 1.00 0.00 N ATOM 315 CA SER A 20 12.178 5.298 -5.651 1.00 0.00 C ATOM 316 C SER A 20 11.179 4.566 -6.547 1.00 0.00 C ATOM 317 O SER A 20 11.170 4.791 -7.759 1.00 0.00 O ATOM 318 CB SER A 20 13.457 5.699 -6.399 1.00 0.00 C ATOM 319 OG SER A 20 14.410 6.250 -5.501 1.00 0.00 O ATOM 0 H SER A 20 13.048 3.660 -4.691 1.00 0.00 H new ATOM 0 HA SER A 20 11.660 6.202 -5.330 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.881 4.828 -6.898 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.218 6.426 -7.175 1.00 0.00 H new ATOM 0 HG SER A 20 15.219 6.498 -5.995 1.00 0.00 H new ATOM 325 N ASP A 21 10.315 3.732 -5.959 1.00 0.00 N ATOM 326 CA ASP A 21 9.252 3.062 -6.712 1.00 0.00 C ATOM 327 C ASP A 21 7.985 3.832 -6.328 1.00 0.00 C ATOM 328 O ASP A 21 7.838 4.238 -5.165 1.00 0.00 O ATOM 329 CB ASP A 21 9.119 1.561 -6.452 1.00 0.00 C ATOM 330 CG ASP A 21 8.246 0.915 -7.536 1.00 0.00 C ATOM 331 OD1 ASP A 21 8.107 -0.331 -7.535 1.00 0.00 O ATOM 332 OD2 ASP A 21 7.730 1.618 -8.425 1.00 0.00 O ATOM 0 H ASP A 21 10.332 3.506 -4.965 1.00 0.00 H new ATOM 0 HA ASP A 21 9.468 3.087 -7.780 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.105 1.097 -6.443 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.678 1.392 -5.470 1.00 0.00 H new ATOM 337 N THR A 22 7.126 4.152 -7.294 1.00 0.00 N ATOM 338 CA THR A 22 5.920 4.910 -7.000 1.00 0.00 C ATOM 339 C THR A 22 4.829 4.036 -6.380 1.00 0.00 C ATOM 340 O THR A 22 4.755 2.825 -6.604 1.00 0.00 O ATOM 341 CB THR A 22 5.408 5.588 -8.288 1.00 0.00 C ATOM 342 OG1 THR A 22 5.223 4.657 -9.338 1.00 0.00 O ATOM 343 CG2 THR A 22 6.347 6.692 -8.780 1.00 0.00 C ATOM 0 H THR A 22 7.244 3.900 -8.275 1.00 0.00 H new ATOM 0 HA THR A 22 6.172 5.672 -6.263 1.00 0.00 H new ATOM 0 HB THR A 22 4.449 6.031 -8.019 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.897 5.124 -10.135 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.941 7.137 -9.689 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.441 7.459 -8.011 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.328 6.268 -8.991 1.00 0.00 H new ATOM 351 N ILE A 23 3.893 4.676 -5.670 1.00 0.00 N ATOM 352 CA ILE A 23 2.775 3.961 -5.058 1.00 0.00 C ATOM 353 C ILE A 23 1.893 3.330 -6.149 1.00 0.00 C ATOM 354 O ILE A 23 1.217 2.349 -5.857 1.00 0.00 O ATOM 355 CB ILE A 23 2.029 4.829 -4.022 1.00 0.00 C ATOM 356 CG1 ILE A 23 2.945 5.266 -2.857 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.768 4.154 -3.447 1.00 0.00 C ATOM 358 CD1 ILE A 23 3.706 4.156 -2.124 1.00 0.00 C ATOM 0 H ILE A 23 3.890 5.683 -5.507 1.00 0.00 H new ATOM 0 HA ILE A 23 3.153 3.129 -4.465 1.00 0.00 H new ATOM 0 HB ILE A 23 1.712 5.709 -4.581 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.673 5.978 -3.246 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.336 5.800 -2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.295 4.821 -2.726 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.069 3.939 -4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.047 3.224 -2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.312 4.593 -1.330 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.995 3.452 -1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.353 3.633 -2.828 1.00 0.00 H new ATOM 370 N GLU A 24 1.872 3.865 -7.381 1.00 0.00 N ATOM 371 CA GLU A 24 1.075 3.310 -8.479 1.00 0.00 C ATOM 372 C GLU A 24 1.449 1.832 -8.685 1.00 0.00 C ATOM 373 O GLU A 24 0.579 1.005 -8.977 1.00 0.00 O ATOM 374 CB GLU A 24 1.301 4.126 -9.765 1.00 0.00 C ATOM 375 CG GLU A 24 0.323 3.790 -10.907 1.00 0.00 C ATOM 376 CD GLU A 24 -1.083 4.358 -10.700 1.00 0.00 C ATOM 377 OE1 GLU A 24 -2.041 3.582 -10.458 1.00 0.00 O ATOM 378 OE2 GLU A 24 -1.248 5.591 -10.829 1.00 0.00 O ATOM 0 H GLU A 24 2.408 4.693 -7.640 1.00 0.00 H new ATOM 0 HA GLU A 24 0.016 3.369 -8.229 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.215 5.187 -9.529 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.320 3.959 -10.114 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.726 4.175 -11.844 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.256 2.707 -11.009 1.00 0.00 H new ATOM 385 N ASN A 25 2.743 1.513 -8.555 1.00 0.00 N ATOM 386 CA ASN A 25 3.282 0.166 -8.681 1.00 0.00 C ATOM 387 C ASN A 25 2.931 -0.641 -7.440 1.00 0.00 C ATOM 388 O ASN A 25 2.326 -1.703 -7.555 1.00 0.00 O ATOM 389 CB ASN A 25 4.802 0.184 -8.888 1.00 0.00 C ATOM 390 CG ASN A 25 5.159 0.463 -10.338 1.00 0.00 C ATOM 391 OD1 ASN A 25 4.594 -0.151 -11.242 1.00 0.00 O ATOM 392 ND2 ASN A 25 6.106 1.334 -10.599 1.00 0.00 N ATOM 0 H ASN A 25 3.459 2.210 -8.353 1.00 0.00 H new ATOM 0 HA ASN A 25 2.835 -0.299 -9.560 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.249 0.945 -8.248 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.224 -0.775 -8.586 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.384 1.511 -11.564 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.563 1.834 -9.837 1.00 0.00 H new ATOM 399 N VAL A 26 3.249 -0.128 -6.246 1.00 0.00 N ATOM 400 CA VAL A 26 2.978 -0.819 -4.981 1.00 0.00 C ATOM 401 C VAL A 26 1.497 -1.209 -4.863 1.00 0.00 C ATOM 402 O VAL A 26 1.178 -2.334 -4.471 1.00 0.00 O ATOM 403 CB VAL A 26 3.407 0.057 -3.780 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.291 -0.711 -2.451 1.00 0.00 C ATOM 405 CG2 VAL A 26 4.849 0.576 -3.877 1.00 0.00 C ATOM 0 H VAL A 26 3.702 0.779 -6.130 1.00 0.00 H new ATOM 0 HA VAL A 26 3.566 -1.737 -4.970 1.00 0.00 H new ATOM 0 HB VAL A 26 2.723 0.905 -3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.600 -0.065 -1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.257 -1.021 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.933 -1.591 -2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.077 1.182 -3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.537 -0.268 -3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.957 1.183 -4.776 1.00 0.00 H new ATOM 415 N LYS A 27 0.582 -0.313 -5.243 1.00 0.00 N ATOM 416 CA LYS A 27 -0.858 -0.543 -5.163 1.00 0.00 C ATOM 417 C LYS A 27 -1.336 -1.497 -6.268 1.00 0.00 C ATOM 418 O LYS A 27 -2.454 -1.996 -6.177 1.00 0.00 O ATOM 419 CB LYS A 27 -1.568 0.824 -5.141 1.00 0.00 C ATOM 420 CG LYS A 27 -2.995 0.776 -4.574 1.00 0.00 C ATOM 421 CD LYS A 27 -3.649 2.165 -4.478 1.00 0.00 C ATOM 422 CE LYS A 27 -3.958 2.737 -5.867 1.00 0.00 C ATOM 423 NZ LYS A 27 -4.731 3.995 -5.821 1.00 0.00 N ATOM 0 H LYS A 27 0.826 0.603 -5.619 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.118 -1.059 -4.239 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.975 1.521 -4.548 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.604 1.220 -6.156 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.610 0.134 -5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.972 0.322 -3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.570 2.096 -3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.986 2.845 -3.943 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.022 2.913 -6.397 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.515 1.997 -6.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.907 4.330 -6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.639 3.827 -5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.192 4.715 -5.299 1.00 0.00 H new ATOM 437 N ALA A 28 -0.529 -1.759 -7.300 1.00 0.00 N ATOM 438 CA ALA A 28 -0.845 -2.691 -8.378 1.00 0.00 C ATOM 439 C ALA A 28 -0.334 -4.080 -7.988 1.00 0.00 C ATOM 440 O ALA A 28 -1.069 -5.060 -8.087 1.00 0.00 O ATOM 441 CB ALA A 28 -0.248 -2.217 -9.702 1.00 0.00 C ATOM 0 H ALA A 28 0.384 -1.316 -7.409 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.924 -2.738 -8.523 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.498 -2.929 -10.489 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.655 -1.238 -9.955 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.836 -2.146 -9.608 1.00 0.00 H new ATOM 447 N LYS A 29 0.903 -4.171 -7.478 1.00 0.00 N ATOM 448 CA LYS A 29 1.540 -5.419 -7.053 1.00 0.00 C ATOM 449 C LYS A 29 0.656 -6.193 -6.076 1.00 0.00 C ATOM 450 O LYS A 29 0.594 -7.421 -6.154 1.00 0.00 O ATOM 451 CB LYS A 29 2.926 -5.145 -6.452 1.00 0.00 C ATOM 452 CG LYS A 29 4.001 -4.782 -7.491 1.00 0.00 C ATOM 453 CD LYS A 29 5.382 -4.748 -6.819 1.00 0.00 C ATOM 454 CE LYS A 29 6.491 -4.138 -7.687 1.00 0.00 C ATOM 455 NZ LYS A 29 6.786 -4.901 -8.913 1.00 0.00 N ATOM 0 H LYS A 29 1.501 -3.355 -7.348 1.00 0.00 H new ATOM 0 HA LYS A 29 1.672 -6.044 -7.936 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.843 -4.331 -5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.252 -6.027 -5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.998 -5.511 -8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.778 -3.812 -7.935 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.308 -4.180 -5.892 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.666 -5.765 -6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.204 -3.124 -7.964 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.401 -4.061 -7.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.544 -4.426 -9.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.091 -5.862 -8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.931 -4.954 -9.503 1.00 0.00 H new ATOM 469 N ILE A 30 -0.015 -5.509 -5.147 1.00 0.00 N ATOM 470 CA ILE A 30 -0.909 -6.153 -4.182 1.00 0.00 C ATOM 471 C ILE A 30 -2.061 -6.889 -4.898 1.00 0.00 C ATOM 472 O ILE A 30 -2.524 -7.917 -4.400 1.00 0.00 O ATOM 473 CB ILE A 30 -1.438 -5.129 -3.146 1.00 0.00 C ATOM 474 CG1 ILE A 30 -2.097 -3.916 -3.828 1.00 0.00 C ATOM 475 CG2 ILE A 30 -0.312 -4.699 -2.188 1.00 0.00 C ATOM 476 CD1 ILE A 30 -2.825 -2.961 -2.882 1.00 0.00 C ATOM 0 H ILE A 30 0.046 -4.496 -5.042 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.335 -6.902 -3.636 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.214 -5.618 -2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.329 -3.358 -4.364 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.806 -4.277 -4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.702 -3.980 -1.468 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.069 -5.573 -1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.495 -4.240 -2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.256 -2.140 -3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.620 -3.498 -2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.120 -2.564 -2.152 1.00 0.00 H new ATOM 488 N GLN A 31 -2.492 -6.441 -6.081 1.00 0.00 N ATOM 489 CA GLN A 31 -3.583 -7.062 -6.830 1.00 0.00 C ATOM 490 C GLN A 31 -3.088 -8.339 -7.513 1.00 0.00 C ATOM 491 O GLN A 31 -3.867 -9.245 -7.808 1.00 0.00 O ATOM 492 CB GLN A 31 -4.131 -6.083 -7.880 1.00 0.00 C ATOM 493 CG GLN A 31 -4.293 -4.648 -7.356 1.00 0.00 C ATOM 494 CD GLN A 31 -4.970 -3.775 -8.392 1.00 0.00 C ATOM 495 OE1 GLN A 31 -4.338 -3.084 -9.192 1.00 0.00 O ATOM 496 NE2 GLN A 31 -6.281 -3.848 -8.457 1.00 0.00 N ATOM 0 H GLN A 31 -2.088 -5.629 -6.548 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.384 -7.318 -6.137 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.462 -6.074 -8.740 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.097 -6.444 -8.232 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.881 -4.655 -6.438 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.316 -4.234 -7.106 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.793 -4.424 -7.789 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.786 -3.329 -9.176 1.00 0.00 H new ATOM 505 N ASP A 32 -1.784 -8.452 -7.757 1.00 0.00 N ATOM 506 CA ASP A 32 -1.189 -9.653 -8.352 1.00 0.00 C ATOM 507 C ASP A 32 -1.065 -10.715 -7.238 1.00 0.00 C ATOM 508 O ASP A 32 -1.110 -11.917 -7.505 1.00 0.00 O ATOM 509 CB ASP A 32 0.151 -9.312 -9.015 1.00 0.00 C ATOM 510 CG ASP A 32 1.117 -10.494 -9.067 1.00 0.00 C ATOM 511 OD1 ASP A 32 0.886 -11.460 -9.824 1.00 0.00 O ATOM 512 OD2 ASP A 32 2.148 -10.404 -8.357 1.00 0.00 O ATOM 0 H ASP A 32 -1.109 -7.716 -7.549 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.816 -10.057 -9.147 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.033 -8.957 -10.029 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.620 -8.492 -8.471 1.00 0.00 H new ATOM 517 N LYS A 33 -1.002 -10.283 -5.971 1.00 0.00 N ATOM 518 CA LYS A 33 -0.891 -11.143 -4.796 1.00 0.00 C ATOM 519 C LYS A 33 -2.224 -11.510 -4.139 1.00 0.00 C ATOM 520 O LYS A 33 -2.242 -12.492 -3.397 1.00 0.00 O ATOM 521 CB LYS A 33 0.016 -10.452 -3.758 1.00 0.00 C ATOM 522 CG LYS A 33 1.516 -10.618 -4.046 1.00 0.00 C ATOM 523 CD LYS A 33 1.967 -12.062 -3.804 1.00 0.00 C ATOM 524 CE LYS A 33 3.489 -12.220 -3.813 1.00 0.00 C ATOM 525 NZ LYS A 33 3.839 -13.614 -3.482 1.00 0.00 N ATOM 0 H LYS A 33 -1.028 -9.291 -5.733 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.468 -12.084 -5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.224 -9.389 -3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.203 -10.857 -2.770 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.725 -10.337 -5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.089 -9.943 -3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.577 -12.403 -2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.535 -12.705 -4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.887 -11.956 -4.793 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.941 -11.539 -3.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.873 -13.723 -3.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.471 -13.850 -2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.420 -14.254 -4.186 1.00 0.00 H new ATOM 539 N GLU A 34 -3.317 -10.773 -4.352 1.00 0.00 N ATOM 540 CA GLU A 34 -4.617 -11.055 -3.737 1.00 0.00 C ATOM 541 C GLU A 34 -5.742 -10.565 -4.665 1.00 0.00 C ATOM 542 O GLU A 34 -5.504 -9.720 -5.531 1.00 0.00 O ATOM 543 CB GLU A 34 -4.660 -10.335 -2.373 1.00 0.00 C ATOM 544 CG GLU A 34 -5.611 -10.929 -1.325 1.00 0.00 C ATOM 545 CD GLU A 34 -5.071 -12.184 -0.629 1.00 0.00 C ATOM 546 OE1 GLU A 34 -3.873 -12.250 -0.267 1.00 0.00 O ATOM 547 OE2 GLU A 34 -5.868 -13.113 -0.362 1.00 0.00 O ATOM 0 H GLU A 34 -3.325 -9.956 -4.962 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.757 -12.125 -3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.653 -10.328 -1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.942 -9.296 -2.542 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.822 -10.171 -0.571 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.558 -11.173 -1.806 1.00 0.00 H new ATOM 554 N GLY A 35 -6.975 -11.046 -4.477 1.00 0.00 N ATOM 555 CA GLY A 35 -8.132 -10.679 -5.288 1.00 0.00 C ATOM 556 C GLY A 35 -8.734 -9.346 -4.853 1.00 0.00 C ATOM 557 O GLY A 35 -9.776 -9.337 -4.194 1.00 0.00 O ATOM 0 H GLY A 35 -7.197 -11.715 -3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.836 -10.619 -6.335 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.889 -11.460 -5.215 1.00 0.00 H new ATOM 561 N ILE A 36 -8.114 -8.222 -5.222 1.00 0.00 N ATOM 562 CA ILE A 36 -8.576 -6.879 -4.861 1.00 0.00 C ATOM 563 C ILE A 36 -8.528 -5.913 -6.067 1.00 0.00 C ATOM 564 O ILE A 36 -7.433 -5.552 -6.504 1.00 0.00 O ATOM 565 CB ILE A 36 -7.801 -6.356 -3.622 1.00 0.00 C ATOM 566 CG1 ILE A 36 -6.259 -6.487 -3.737 1.00 0.00 C ATOM 567 CG2 ILE A 36 -8.307 -7.086 -2.358 1.00 0.00 C ATOM 568 CD1 ILE A 36 -5.490 -5.866 -2.569 1.00 0.00 C ATOM 0 H ILE A 36 -7.265 -8.219 -5.788 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.627 -6.935 -4.577 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.001 -5.286 -3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.999 -7.543 -3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.933 -6.015 -4.664 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.765 -6.721 -1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.372 -6.895 -2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.141 -8.158 -2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.420 -6.000 -2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.717 -4.802 -2.509 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.784 -6.353 -1.639 1.00 0.00 H new ATOM 580 N PRO A 37 -9.675 -5.501 -6.650 1.00 0.00 N ATOM 581 CA PRO A 37 -9.710 -4.563 -7.774 1.00 0.00 C ATOM 582 C PRO A 37 -9.185 -3.181 -7.339 1.00 0.00 C ATOM 583 O PRO A 37 -9.075 -2.915 -6.138 1.00 0.00 O ATOM 584 CB PRO A 37 -11.186 -4.450 -8.191 1.00 0.00 C ATOM 585 CG PRO A 37 -11.867 -5.641 -7.529 1.00 0.00 C ATOM 586 CD PRO A 37 -11.032 -5.850 -6.271 1.00 0.00 C ATOM 0 HA PRO A 37 -9.083 -4.911 -8.595 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.621 -3.508 -7.856 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.295 -4.484 -9.275 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.910 -5.430 -7.292 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.858 -6.521 -8.172 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.387 -5.221 -5.455 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.091 -6.882 -5.927 1.00 0.00 H new ATOM 594 N PRO A 38 -8.881 -2.257 -8.270 1.00 0.00 N ATOM 595 CA PRO A 38 -8.393 -0.925 -7.921 1.00 0.00 C ATOM 596 C PRO A 38 -9.611 -0.016 -7.725 1.00 0.00 C ATOM 597 O PRO A 38 -9.724 1.045 -8.333 1.00 0.00 O ATOM 598 CB PRO A 38 -7.533 -0.544 -9.131 1.00 0.00 C ATOM 599 CG PRO A 38 -8.330 -1.122 -10.299 1.00 0.00 C ATOM 600 CD PRO A 38 -8.950 -2.401 -9.719 1.00 0.00 C ATOM 0 HA PRO A 38 -7.813 -0.853 -7.001 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.411 0.536 -9.218 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.533 -0.974 -9.070 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.095 -0.427 -10.644 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.688 -1.340 -11.153 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.981 -2.520 -10.051 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.404 -3.285 -10.050 1.00 0.00 H new ATOM 608 N ASP A 39 -10.499 -0.415 -6.823 1.00 0.00 N ATOM 609 CA ASP A 39 -11.748 0.233 -6.450 1.00 0.00 C ATOM 610 C ASP A 39 -11.909 -0.046 -4.968 1.00 0.00 C ATOM 611 O ASP A 39 -11.628 -1.157 -4.515 1.00 0.00 O ATOM 612 CB ASP A 39 -12.930 -0.335 -7.243 1.00 0.00 C ATOM 613 CG ASP A 39 -14.279 0.209 -6.767 1.00 0.00 C ATOM 614 OD1 ASP A 39 -14.372 1.377 -6.326 1.00 0.00 O ATOM 615 OD2 ASP A 39 -15.272 -0.555 -6.845 1.00 0.00 O ATOM 0 H ASP A 39 -10.350 -1.272 -6.290 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.727 1.301 -6.667 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.800 -0.099 -8.299 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -12.931 -1.422 -7.157 1.00 0.00 H new ATOM 620 N GLN A 40 -12.296 0.984 -4.221 1.00 0.00 N ATOM 621 CA GLN A 40 -12.476 0.969 -2.779 1.00 0.00 C ATOM 622 C GLN A 40 -11.219 0.395 -2.121 1.00 0.00 C ATOM 623 O GLN A 40 -11.290 -0.491 -1.270 1.00 0.00 O ATOM 624 CB GLN A 40 -13.771 0.254 -2.350 1.00 0.00 C ATOM 625 CG GLN A 40 -15.069 0.742 -3.009 1.00 0.00 C ATOM 626 CD GLN A 40 -15.263 2.258 -3.037 1.00 0.00 C ATOM 627 OE1 GLN A 40 -15.116 2.962 -2.039 1.00 0.00 O ATOM 628 NE2 GLN A 40 -15.545 2.816 -4.201 1.00 0.00 N ATOM 0 H GLN A 40 -12.502 1.896 -4.629 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.605 1.993 -2.428 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.660 -0.810 -2.560 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.876 0.356 -1.270 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -15.098 0.371 -4.033 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.913 0.295 -2.484 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.667 2.234 -5.029 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.640 3.829 -4.271 1.00 0.00 H new ATOM 637 N ASN A 41 -10.052 0.920 -2.516 1.00 0.00 N ATOM 638 CA ASN A 41 -8.776 0.513 -1.967 1.00 0.00 C ATOM 639 C ASN A 41 -7.831 1.711 -1.993 1.00 0.00 C ATOM 640 O ASN A 41 -7.718 2.381 -3.019 1.00 0.00 O ATOM 641 CB ASN A 41 -8.180 -0.679 -2.748 1.00 0.00 C ATOM 642 CG ASN A 41 -8.688 -2.030 -2.248 1.00 0.00 C ATOM 643 OD1 ASN A 41 -8.151 -2.585 -1.285 1.00 0.00 O ATOM 644 ND2 ASN A 41 -9.730 -2.583 -2.849 1.00 0.00 N ATOM 0 H ASN A 41 -9.979 1.644 -3.231 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.917 0.177 -0.940 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.424 -0.573 -3.805 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.093 -0.653 -2.668 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.096 -3.475 -2.517 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.167 -2.117 -3.644 1.00 0.00 H new ATOM 651 N ARG A 42 -7.117 1.972 -0.896 1.00 0.00 N ATOM 652 CA ARG A 42 -6.157 3.061 -0.709 1.00 0.00 C ATOM 653 C ARG A 42 -5.152 2.548 0.313 1.00 0.00 C ATOM 654 O ARG A 42 -5.534 1.958 1.328 1.00 0.00 O ATOM 655 CB ARG A 42 -6.878 4.342 -0.245 1.00 0.00 C ATOM 656 CG ARG A 42 -5.976 5.581 -0.108 1.00 0.00 C ATOM 657 CD ARG A 42 -6.776 6.819 0.337 1.00 0.00 C ATOM 658 NE ARG A 42 -7.633 7.350 -0.741 1.00 0.00 N ATOM 659 CZ ARG A 42 -7.326 8.287 -1.650 1.00 0.00 C ATOM 660 NH1 ARG A 42 -6.242 9.045 -1.507 1.00 0.00 N ATOM 661 NH2 ARG A 42 -8.123 8.460 -2.691 1.00 0.00 N ATOM 0 H ARG A 42 -7.199 1.391 -0.062 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.649 3.335 -1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.676 4.568 -0.952 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.351 4.147 0.718 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.186 5.378 0.615 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.490 5.785 -1.062 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.395 6.559 1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.086 7.596 0.665 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.572 6.957 -0.802 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.633 8.917 -0.699 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.020 9.754 -2.206 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.959 7.885 -2.795 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.902 9.169 -3.390 1.00 0.00 H new ATOM 675 N LEU A 43 -3.872 2.803 0.069 1.00 0.00 N ATOM 676 CA LEU A 43 -2.767 2.363 0.908 1.00 0.00 C ATOM 677 C LEU A 43 -2.535 3.403 2.001 1.00 0.00 C ATOM 678 O LEU A 43 -2.579 4.602 1.744 1.00 0.00 O ATOM 679 CB LEU A 43 -1.551 2.216 -0.021 1.00 0.00 C ATOM 680 CG LEU A 43 -0.317 1.560 0.615 1.00 0.00 C ATOM 681 CD1 LEU A 43 -0.539 0.076 0.928 1.00 0.00 C ATOM 682 CD2 LEU A 43 0.858 1.698 -0.361 1.00 0.00 C ATOM 0 H LEU A 43 -3.567 3.338 -0.744 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.964 1.413 1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.847 1.629 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.270 3.204 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.113 2.064 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.363 -0.340 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.371 -0.028 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.767 -0.460 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.746 1.238 0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.612 1.201 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.052 2.754 -0.550 1.00 0.00 H new ATOM 694 N ILE A 44 -2.264 2.952 3.224 1.00 0.00 N ATOM 695 CA ILE A 44 -2.043 3.770 4.411 1.00 0.00 C ATOM 696 C ILE A 44 -0.776 3.268 5.119 1.00 0.00 C ATOM 697 O ILE A 44 -0.528 2.064 5.145 1.00 0.00 O ATOM 698 CB ILE A 44 -3.277 3.622 5.350 1.00 0.00 C ATOM 699 CG1 ILE A 44 -4.671 3.583 4.674 1.00 0.00 C ATOM 700 CG2 ILE A 44 -3.289 4.690 6.457 1.00 0.00 C ATOM 701 CD1 ILE A 44 -5.142 4.875 3.992 1.00 0.00 C ATOM 0 H ILE A 44 -2.189 1.954 3.422 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.916 4.819 4.144 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.127 2.626 5.766 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.666 2.787 3.929 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.408 3.308 5.429 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.166 4.550 7.088 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.387 4.597 7.062 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.322 5.682 6.006 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.129 4.718 3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.192 5.677 4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.439 5.148 3.205 1.00 0.00 H new ATOM 713 N PHE A 45 0.008 4.153 5.738 1.00 0.00 N ATOM 714 CA PHE A 45 1.229 3.817 6.471 1.00 0.00 C ATOM 715 C PHE A 45 1.172 4.562 7.797 1.00 0.00 C ATOM 716 O PHE A 45 1.106 5.792 7.802 1.00 0.00 O ATOM 717 CB PHE A 45 2.487 4.186 5.676 1.00 0.00 C ATOM 718 CG PHE A 45 3.779 4.076 6.467 1.00 0.00 C ATOM 719 CD1 PHE A 45 4.156 2.854 7.059 1.00 0.00 C ATOM 720 CD2 PHE A 45 4.602 5.208 6.625 1.00 0.00 C ATOM 721 CE1 PHE A 45 5.342 2.771 7.808 1.00 0.00 C ATOM 722 CE2 PHE A 45 5.795 5.118 7.362 1.00 0.00 C ATOM 723 CZ PHE A 45 6.164 3.901 7.958 1.00 0.00 C ATOM 0 H PHE A 45 -0.196 5.152 5.743 1.00 0.00 H new ATOM 0 HA PHE A 45 1.287 2.741 6.637 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.553 3.539 4.802 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.385 5.207 5.309 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.533 1.980 6.937 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.315 6.148 6.178 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.623 1.836 8.270 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.429 5.986 7.470 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.077 3.834 8.530 1.00 0.00 H new ATOM 733 N ALA A 46 1.179 3.825 8.913 1.00 0.00 N ATOM 734 CA ALA A 46 1.110 4.376 10.267 1.00 0.00 C ATOM 735 C ALA A 46 -0.070 5.357 10.389 1.00 0.00 C ATOM 736 O ALA A 46 0.058 6.441 10.953 1.00 0.00 O ATOM 737 CB ALA A 46 2.467 4.981 10.662 1.00 0.00 C ATOM 0 H ALA A 46 1.234 2.807 8.898 1.00 0.00 H new ATOM 0 HA ALA A 46 0.911 3.579 10.984 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.404 5.388 11.671 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.234 4.207 10.630 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.727 5.778 9.965 1.00 0.00 H new ATOM 743 N GLY A 47 -1.211 5.028 9.776 1.00 0.00 N ATOM 744 CA GLY A 47 -2.411 5.857 9.805 1.00 0.00 C ATOM 745 C GLY A 47 -2.397 7.005 8.791 1.00 0.00 C ATOM 746 O GLY A 47 -3.453 7.595 8.556 1.00 0.00 O ATOM 0 H GLY A 47 -1.325 4.167 9.240 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.280 5.228 9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.531 6.271 10.806 1.00 0.00 H new ATOM 750 N LYS A 48 -1.250 7.391 8.216 1.00 0.00 N ATOM 751 CA LYS A 48 -1.192 8.465 7.225 1.00 0.00 C ATOM 752 C LYS A 48 -1.641 7.862 5.901 1.00 0.00 C ATOM 753 O LYS A 48 -1.161 6.795 5.513 1.00 0.00 O ATOM 754 CB LYS A 48 0.217 9.070 7.136 1.00 0.00 C ATOM 755 CG LYS A 48 0.281 10.121 6.015 1.00 0.00 C ATOM 756 CD LYS A 48 1.485 11.056 6.127 1.00 0.00 C ATOM 757 CE LYS A 48 1.253 12.160 7.168 1.00 0.00 C ATOM 758 NZ LYS A 48 2.428 13.040 7.284 1.00 0.00 N ATOM 0 H LYS A 48 -0.345 6.969 8.425 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.846 9.291 7.505 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.483 9.529 8.088 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.946 8.282 6.946 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.314 9.612 5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.633 10.714 6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.369 10.479 6.399 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.686 11.508 5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.380 12.750 6.888 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.036 11.710 8.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.242 13.776 7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.254 12.479 7.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.619 13.487 6.365 1.00 0.00 H new ATOM 772 N GLN A 49 -2.597 8.510 5.243 1.00 0.00 N ATOM 773 CA GLN A 49 -3.146 8.055 3.976 1.00 0.00 C ATOM 774 C GLN A 49 -2.125 8.332 2.870 1.00 0.00 C ATOM 775 O GLN A 49 -1.501 9.394 2.875 1.00 0.00 O ATOM 776 CB GLN A 49 -4.485 8.750 3.687 1.00 0.00 C ATOM 777 CG GLN A 49 -5.502 8.773 4.852 1.00 0.00 C ATOM 778 CD GLN A 49 -5.277 9.908 5.860 1.00 0.00 C ATOM 779 OE1 GLN A 49 -4.927 11.026 5.496 1.00 0.00 O ATOM 780 NE2 GLN A 49 -5.456 9.675 7.146 1.00 0.00 N ATOM 0 H GLN A 49 -3.016 9.376 5.581 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.342 6.984 4.021 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.281 9.778 3.389 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.951 8.257 2.834 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.507 8.862 4.440 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.456 7.820 5.379 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.747 8.749 7.461 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.303 10.420 7.825 1.00 0.00 H new ATOM 789 N LEU A 50 -1.927 7.376 1.961 1.00 0.00 N ATOM 790 CA LEU A 50 -0.994 7.436 0.839 1.00 0.00 C ATOM 791 C LEU A 50 -1.743 7.235 -0.472 1.00 0.00 C ATOM 792 O LEU A 50 -2.826 6.649 -0.497 1.00 0.00 O ATOM 793 CB LEU A 50 0.072 6.326 0.905 1.00 0.00 C ATOM 794 CG LEU A 50 0.698 5.994 2.266 1.00 0.00 C ATOM 795 CD1 LEU A 50 1.686 4.848 2.036 1.00 0.00 C ATOM 796 CD2 LEU A 50 1.433 7.175 2.901 1.00 0.00 C ATOM 0 H LEU A 50 -2.440 6.495 1.991 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.514 8.413 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.376 5.412 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.880 6.601 0.227 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.101 5.727 2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.157 4.578 2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.155 3.985 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.451 5.164 1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.851 6.870 3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.238 7.500 2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.735 7.998 3.054 1.00 0.00 H new ATOM 808 N GLU A 51 -1.177 7.735 -1.564 1.00 0.00 N ATOM 809 CA GLU A 51 -1.713 7.613 -2.909 1.00 0.00 C ATOM 810 C GLU A 51 -0.560 7.654 -3.915 1.00 0.00 C ATOM 811 O GLU A 51 0.604 7.841 -3.536 1.00 0.00 O ATOM 812 CB GLU A 51 -2.814 8.650 -3.169 1.00 0.00 C ATOM 813 CG GLU A 51 -2.377 10.115 -3.069 1.00 0.00 C ATOM 814 CD GLU A 51 -3.557 11.092 -3.043 1.00 0.00 C ATOM 815 OE1 GLU A 51 -3.316 12.280 -2.713 1.00 0.00 O ATOM 816 OE2 GLU A 51 -4.726 10.681 -3.263 1.00 0.00 O ATOM 0 H GLU A 51 -0.300 8.255 -1.533 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.209 6.650 -3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.223 8.478 -4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.623 8.481 -2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.781 10.250 -2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.733 10.355 -3.915 1.00 0.00 H new ATOM 823 N ASP A 52 -0.904 7.476 -5.190 1.00 0.00 N ATOM 824 CA ASP A 52 0.005 7.448 -6.328 1.00 0.00 C ATOM 825 C ASP A 52 0.529 8.841 -6.640 1.00 0.00 C ATOM 826 O ASP A 52 0.008 9.854 -6.173 1.00 0.00 O ATOM 827 CB ASP A 52 -0.664 6.826 -7.561 1.00 0.00 C ATOM 828 CG ASP A 52 -1.795 7.687 -8.117 1.00 0.00 C ATOM 829 OD1 ASP A 52 -2.957 7.403 -7.746 1.00 0.00 O ATOM 830 OD2 ASP A 52 -1.534 8.649 -8.877 1.00 0.00 O ATOM 0 H ASP A 52 -1.876 7.341 -5.468 1.00 0.00 H new ATOM 0 HA ASP A 52 0.854 6.819 -6.058 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.086 6.673 -8.337 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.056 5.843 -7.299 1.00 0.00 H new ATOM 835 N GLY A 53 1.638 8.871 -7.375 1.00 0.00 N ATOM 836 CA GLY A 53 2.339 10.075 -7.776 1.00 0.00 C ATOM 837 C GLY A 53 3.594 10.258 -6.928 1.00 0.00 C ATOM 838 O GLY A 53 4.544 10.878 -7.401 1.00 0.00 O ATOM 0 H GLY A 53 2.085 8.021 -7.718 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.609 10.014 -8.830 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.685 10.940 -7.664 1.00 0.00 H new ATOM 842 N ARG A 54 3.626 9.722 -5.702 1.00 0.00 N ATOM 843 CA ARG A 54 4.778 9.816 -4.805 1.00 0.00 C ATOM 844 C ARG A 54 5.492 8.470 -4.723 1.00 0.00 C ATOM 845 O ARG A 54 4.938 7.450 -5.153 1.00 0.00 O ATOM 846 CB ARG A 54 4.318 10.222 -3.400 1.00 0.00 C ATOM 847 CG ARG A 54 3.890 11.685 -3.320 1.00 0.00 C ATOM 848 CD ARG A 54 3.723 12.113 -1.859 1.00 0.00 C ATOM 849 NE ARG A 54 2.588 13.025 -1.688 1.00 0.00 N ATOM 850 CZ ARG A 54 2.192 13.563 -0.533 1.00 0.00 C ATOM 851 NH1 ARG A 54 2.877 13.360 0.583 1.00 0.00 N ATOM 852 NH2 ARG A 54 1.079 14.277 -0.493 1.00 0.00 N ATOM 0 H ARG A 54 2.842 9.205 -5.303 1.00 0.00 H new ATOM 0 HA ARG A 54 5.462 10.568 -5.199 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.485 9.587 -3.097 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.128 10.045 -2.692 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.634 12.315 -3.808 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.952 11.826 -3.856 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.578 11.231 -1.236 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.636 12.600 -1.516 1.00 0.00 H new ATOM 0 HE ARG A 54 2.056 13.269 -2.523 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.720 12.786 0.567 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.562 13.778 1.458 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.530 14.413 -1.342 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.770 14.691 0.386 1.00 0.00 H new ATOM 866 N THR A 55 6.667 8.462 -4.102 1.00 0.00 N ATOM 867 CA THR A 55 7.508 7.289 -3.896 1.00 0.00 C ATOM 868 C THR A 55 7.671 7.016 -2.401 1.00 0.00 C ATOM 869 O THR A 55 7.303 7.837 -1.555 1.00 0.00 O ATOM 870 CB THR A 55 8.892 7.513 -4.535 1.00 0.00 C ATOM 871 OG1 THR A 55 9.491 8.711 -4.062 1.00 0.00 O ATOM 872 CG2 THR A 55 8.864 7.538 -6.059 1.00 0.00 C ATOM 0 H THR A 55 7.077 9.311 -3.712 1.00 0.00 H new ATOM 0 HA THR A 55 7.031 6.429 -4.366 1.00 0.00 H new ATOM 0 HB THR A 55 9.488 6.652 -4.231 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.368 8.826 -4.483 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.873 7.700 -6.439 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.484 6.587 -6.432 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.215 8.346 -6.398 1.00 0.00 H new ATOM 880 N LEU A 56 8.197 5.838 -2.049 1.00 0.00 N ATOM 881 CA LEU A 56 8.448 5.455 -0.659 1.00 0.00 C ATOM 882 C LEU A 56 9.281 6.520 0.065 1.00 0.00 C ATOM 883 O LEU A 56 9.012 6.812 1.231 1.00 0.00 O ATOM 884 CB LEU A 56 9.107 4.074 -0.545 1.00 0.00 C ATOM 885 CG LEU A 56 8.107 2.907 -0.531 1.00 0.00 C ATOM 886 CD1 LEU A 56 7.548 2.620 -1.928 1.00 0.00 C ATOM 887 CD2 LEU A 56 8.785 1.649 0.022 1.00 0.00 C ATOM 0 H LEU A 56 8.461 5.121 -2.725 1.00 0.00 H new ATOM 0 HA LEU A 56 7.476 5.387 -0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.795 3.940 -1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.703 4.040 0.367 1.00 0.00 H new ATOM 0 HG LEU A 56 7.273 3.192 0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.845 1.789 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.035 3.505 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.366 2.362 -2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.072 0.825 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.635 1.387 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.131 1.839 1.038 1.00 0.00 H new ATOM 899 N SER A 57 10.301 7.066 -0.608 1.00 0.00 N ATOM 900 CA SER A 57 11.204 8.083 -0.087 1.00 0.00 C ATOM 901 C SER A 57 10.422 9.330 0.343 1.00 0.00 C ATOM 902 O SER A 57 10.650 9.845 1.442 1.00 0.00 O ATOM 903 CB SER A 57 12.235 8.399 -1.184 1.00 0.00 C ATOM 904 OG SER A 57 13.233 9.309 -0.768 1.00 0.00 O ATOM 0 H SER A 57 10.523 6.797 -1.566 1.00 0.00 H new ATOM 0 HA SER A 57 11.721 7.723 0.802 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.710 7.472 -1.505 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.718 8.809 -2.052 1.00 0.00 H new ATOM 0 HG SER A 57 13.858 9.469 -1.506 1.00 0.00 H new ATOM 910 N ASP A 58 9.461 9.786 -0.469 1.00 0.00 N ATOM 911 CA ASP A 58 8.647 10.968 -0.170 1.00 0.00 C ATOM 912 C ASP A 58 7.925 10.777 1.153 1.00 0.00 C ATOM 913 O ASP A 58 7.966 11.647 2.026 1.00 0.00 O ATOM 914 CB ASP A 58 7.579 11.232 -1.238 1.00 0.00 C ATOM 915 CG ASP A 58 8.124 11.694 -2.575 1.00 0.00 C ATOM 916 OD1 ASP A 58 7.498 11.359 -3.605 1.00 0.00 O ATOM 917 OD2 ASP A 58 9.124 12.446 -2.590 1.00 0.00 O ATOM 0 H ASP A 58 9.226 9.342 -1.357 1.00 0.00 H new ATOM 0 HA ASP A 58 9.333 11.814 -0.137 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.004 10.319 -1.391 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.887 11.986 -0.862 1.00 0.00 H new ATOM 922 N TYR A 59 7.307 9.614 1.342 1.00 0.00 N ATOM 923 CA TYR A 59 6.563 9.296 2.553 1.00 0.00 C ATOM 924 C TYR A 59 7.469 8.826 3.698 1.00 0.00 C ATOM 925 O TYR A 59 6.985 8.685 4.824 1.00 0.00 O ATOM 926 CB TYR A 59 5.547 8.205 2.214 1.00 0.00 C ATOM 927 CG TYR A 59 4.458 8.604 1.237 1.00 0.00 C ATOM 928 CD1 TYR A 59 3.540 9.612 1.582 1.00 0.00 C ATOM 929 CD2 TYR A 59 4.317 7.924 0.013 1.00 0.00 C ATOM 930 CE1 TYR A 59 2.455 9.901 0.740 1.00 0.00 C ATOM 931 CE2 TYR A 59 3.242 8.226 -0.841 1.00 0.00 C ATOM 932 CZ TYR A 59 2.289 9.196 -0.472 1.00 0.00 C ATOM 933 OH TYR A 59 1.241 9.486 -1.296 1.00 0.00 O ATOM 0 H TYR A 59 7.310 8.862 0.653 1.00 0.00 H new ATOM 0 HA TYR A 59 6.069 10.203 2.900 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.083 7.349 1.803 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.076 7.872 3.139 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.671 10.167 2.500 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.036 7.169 -0.271 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.745 10.665 1.020 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.146 7.711 -1.786 1.00 0.00 H new ATOM 0 HH TYR A 59 1.321 8.966 -2.123 1.00 0.00 H new ATOM 943 N ASN A 60 8.777 8.673 3.460 1.00 0.00 N ATOM 944 CA ASN A 60 9.796 8.211 4.404 1.00 0.00 C ATOM 945 C ASN A 60 9.411 6.832 4.959 1.00 0.00 C ATOM 946 O ASN A 60 9.474 6.565 6.160 1.00 0.00 O ATOM 947 CB ASN A 60 10.067 9.293 5.465 1.00 0.00 C ATOM 948 CG ASN A 60 11.055 8.900 6.558 1.00 0.00 C ATOM 949 OD1 ASN A 60 12.028 8.188 6.340 1.00 0.00 O ATOM 950 ND2 ASN A 60 10.846 9.398 7.765 1.00 0.00 N ATOM 0 H ASN A 60 9.175 8.882 2.544 1.00 0.00 H new ATOM 0 HA ASN A 60 10.751 8.062 3.901 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.442 10.185 4.963 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.121 9.564 5.934 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.497 9.190 8.522 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.034 9.990 7.939 1.00 0.00 H new ATOM 957 N ILE A 61 9.007 5.939 4.056 1.00 0.00 N ATOM 958 CA ILE A 61 8.625 4.563 4.350 1.00 0.00 C ATOM 959 C ILE A 61 9.948 3.803 4.315 1.00 0.00 C ATOM 960 O ILE A 61 10.706 3.954 3.358 1.00 0.00 O ATOM 961 CB ILE A 61 7.611 4.050 3.300 1.00 0.00 C ATOM 962 CG1 ILE A 61 6.279 4.815 3.447 1.00 0.00 C ATOM 963 CG2 ILE A 61 7.344 2.539 3.446 1.00 0.00 C ATOM 964 CD1 ILE A 61 5.341 4.666 2.245 1.00 0.00 C ATOM 0 H ILE A 61 8.935 6.165 3.064 1.00 0.00 H new ATOM 0 HA ILE A 61 8.122 4.442 5.309 1.00 0.00 H new ATOM 0 HB ILE A 61 8.043 4.224 2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.766 4.462 4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.494 5.873 3.599 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.627 2.221 2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.277 1.990 3.315 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.940 2.335 4.437 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.427 5.232 2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.833 5.046 1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.094 3.614 2.104 1.00 0.00 H new ATOM 976 N GLN A 62 10.268 3.049 5.365 1.00 0.00 N ATOM 977 CA GLN A 62 11.510 2.284 5.444 1.00 0.00 C ATOM 978 C GLN A 62 11.259 0.807 5.144 1.00 0.00 C ATOM 979 O GLN A 62 10.113 0.388 4.961 1.00 0.00 O ATOM 980 CB GLN A 62 12.173 2.512 6.817 1.00 0.00 C ATOM 981 CG GLN A 62 12.511 3.994 7.071 1.00 0.00 C ATOM 982 CD GLN A 62 13.307 4.605 5.924 1.00 0.00 C ATOM 983 OE1 GLN A 62 14.289 4.034 5.461 1.00 0.00 O ATOM 984 NE2 GLN A 62 12.903 5.747 5.401 1.00 0.00 N ATOM 0 H GLN A 62 9.672 2.951 6.187 1.00 0.00 H new ATOM 0 HA GLN A 62 12.206 2.635 4.682 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.507 2.155 7.602 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.085 1.919 6.879 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.588 4.557 7.212 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.082 4.082 7.995 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.087 6.223 5.785 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.407 6.154 4.613 1.00 0.00 H new ATOM 993 N LYS A 63 12.337 0.021 5.046 1.00 0.00 N ATOM 994 CA LYS A 63 12.239 -1.411 4.779 1.00 0.00 C ATOM 995 C LYS A 63 11.538 -2.097 5.946 1.00 0.00 C ATOM 996 O LYS A 63 11.505 -1.567 7.061 1.00 0.00 O ATOM 997 CB LYS A 63 13.611 -2.044 4.495 1.00 0.00 C ATOM 998 CG LYS A 63 14.493 -2.224 5.737 1.00 0.00 C ATOM 999 CD LYS A 63 15.845 -2.801 5.320 1.00 0.00 C ATOM 1000 CE LYS A 63 16.695 -3.031 6.568 1.00 0.00 C ATOM 1001 NZ LYS A 63 18.135 -2.907 6.286 1.00 0.00 N ATOM 0 H LYS A 63 13.293 0.360 5.149 1.00 0.00 H new ATOM 0 HA LYS A 63 11.647 -1.552 3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.459 -3.017 4.028 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.142 -1.423 3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.633 -1.267 6.239 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.005 -2.889 6.450 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.704 -3.739 4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.352 -2.117 4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.413 -2.311 7.336 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.488 -4.023 6.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.675 -3.070 7.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.411 -3.611 5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.338 -1.952 5.927 1.00 0.00 H new ATOM 1015 N GLU A 64 10.964 -3.260 5.676 1.00 0.00 N ATOM 1016 CA GLU A 64 10.245 -4.084 6.624 1.00 0.00 C ATOM 1017 C GLU A 64 9.171 -3.270 7.368 1.00 0.00 C ATOM 1018 O GLU A 64 9.028 -3.375 8.588 1.00 0.00 O ATOM 1019 CB GLU A 64 11.238 -4.865 7.514 1.00 0.00 C ATOM 1020 CG GLU A 64 11.910 -6.054 6.797 1.00 0.00 C ATOM 1021 CD GLU A 64 12.988 -5.671 5.778 1.00 0.00 C ATOM 1022 OE1 GLU A 64 12.675 -5.513 4.576 1.00 0.00 O ATOM 1023 OE2 GLU A 64 14.182 -5.619 6.147 1.00 0.00 O ATOM 0 H GLU A 64 10.991 -3.671 4.743 1.00 0.00 H new ATOM 0 HA GLU A 64 9.674 -4.851 6.101 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.010 -4.182 7.868 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.711 -5.234 8.394 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.356 -6.706 7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.140 -6.634 6.288 1.00 0.00 H new ATOM 1030 N SER A 65 8.477 -2.363 6.671 1.00 0.00 N ATOM 1031 CA SER A 65 7.398 -1.547 7.226 1.00 0.00 C ATOM 1032 C SER A 65 6.082 -2.335 7.097 1.00 0.00 C ATOM 1033 O SER A 65 6.022 -3.303 6.338 1.00 0.00 O ATOM 1034 CB SER A 65 7.340 -0.184 6.525 1.00 0.00 C ATOM 1035 OG SER A 65 7.569 -0.291 5.139 1.00 0.00 O ATOM 0 H SER A 65 8.656 -2.174 5.685 1.00 0.00 H new ATOM 0 HA SER A 65 7.576 -1.339 8.281 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.364 0.270 6.697 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.083 0.481 6.965 1.00 0.00 H new ATOM 0 HG SER A 65 8.534 -0.295 4.966 1.00 0.00 H new ATOM 1041 N THR A 66 5.029 -1.952 7.822 1.00 0.00 N ATOM 1042 CA THR A 66 3.728 -2.611 7.781 1.00 0.00 C ATOM 1043 C THR A 66 2.665 -1.557 7.486 1.00 0.00 C ATOM 1044 O THR A 66 2.315 -0.728 8.329 1.00 0.00 O ATOM 1045 CB THR A 66 3.506 -3.406 9.071 1.00 0.00 C ATOM 1046 OG1 THR A 66 4.406 -4.496 9.135 1.00 0.00 O ATOM 1047 CG2 THR A 66 2.098 -3.992 9.110 1.00 0.00 C ATOM 0 H THR A 66 5.060 -1.161 8.465 1.00 0.00 H new ATOM 0 HA THR A 66 3.669 -3.348 6.980 1.00 0.00 H new ATOM 0 HB THR A 66 3.659 -2.720 9.904 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.256 -4.996 9.965 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.963 -4.553 10.035 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.367 -3.185 9.064 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.957 -4.658 8.258 1.00 0.00 H new ATOM 1055 N LEU A 67 2.172 -1.592 6.255 1.00 0.00 N ATOM 1056 CA LEU A 67 1.160 -0.703 5.726 1.00 0.00 C ATOM 1057 C LEU A 67 -0.204 -1.393 5.825 1.00 0.00 C ATOM 1058 O LEU A 67 -0.290 -2.604 6.030 1.00 0.00 O ATOM 1059 CB LEU A 67 1.515 -0.370 4.263 1.00 0.00 C ATOM 1060 CG LEU A 67 2.791 0.489 4.096 1.00 0.00 C ATOM 1061 CD1 LEU A 67 4.106 -0.296 4.220 1.00 0.00 C ATOM 1062 CD2 LEU A 67 2.777 1.160 2.725 1.00 0.00 C ATOM 0 H LEU A 67 2.486 -2.278 5.568 1.00 0.00 H new ATOM 0 HA LEU A 67 1.117 0.226 6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.644 -1.302 3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.675 0.156 3.809 1.00 0.00 H new ATOM 0 HG LEU A 67 2.766 1.210 4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.949 0.383 4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.162 -0.759 5.205 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.142 -1.070 3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.676 1.765 2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.748 0.397 1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.897 1.797 2.641 1.00 0.00 H new ATOM 1074 N HIS A 68 -1.282 -0.619 5.774 1.00 0.00 N ATOM 1075 CA HIS A 68 -2.662 -1.090 5.813 1.00 0.00 C ATOM 1076 C HIS A 68 -3.354 -0.648 4.523 1.00 0.00 C ATOM 1077 O HIS A 68 -2.926 0.314 3.884 1.00 0.00 O ATOM 1078 CB HIS A 68 -3.384 -0.571 7.067 1.00 0.00 C ATOM 1079 CG HIS A 68 -3.391 -1.545 8.225 1.00 0.00 C ATOM 1080 ND1 HIS A 68 -2.423 -1.687 9.197 1.00 0.00 N ATOM 1081 CD2 HIS A 68 -4.426 -2.382 8.553 1.00 0.00 C ATOM 1082 CE1 HIS A 68 -2.886 -2.559 10.108 1.00 0.00 C ATOM 1083 NE2 HIS A 68 -4.095 -3.025 9.752 1.00 0.00 N ATOM 0 H HIS A 68 -1.216 0.396 5.701 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.689 -2.178 5.876 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.909 0.356 7.389 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.414 -0.327 6.805 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.335 -2.521 7.987 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.358 -2.847 11.005 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -4.659 -3.710 10.255 1.00 0.00 H new ATOM 1091 N LEU A 69 -4.431 -1.328 4.140 1.00 0.00 N ATOM 1092 CA LEU A 69 -5.230 -1.030 2.953 1.00 0.00 C ATOM 1093 C LEU A 69 -6.654 -0.808 3.472 1.00 0.00 C ATOM 1094 O LEU A 69 -7.154 -1.704 4.160 1.00 0.00 O ATOM 1095 CB LEU A 69 -5.099 -2.241 2.008 1.00 0.00 C ATOM 1096 CG LEU A 69 -3.845 -2.202 1.124 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -3.564 -3.607 0.579 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -4.003 -1.224 -0.045 1.00 0.00 C ATOM 0 H LEU A 69 -4.784 -2.129 4.664 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.919 -0.149 2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.085 -3.155 2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.981 -2.289 1.370 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.012 -1.859 1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.674 -3.582 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.403 -4.294 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.415 -3.945 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.094 -1.226 -0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.848 -1.529 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.180 -0.220 0.342 1.00 0.00 H new ATOM 1110 N VAL A 70 -7.293 0.343 3.213 1.00 0.00 N ATOM 1111 CA VAL A 70 -8.656 0.655 3.684 1.00 0.00 C ATOM 1112 C VAL A 70 -9.504 1.429 2.652 1.00 0.00 C ATOM 1113 O VAL A 70 -8.988 1.905 1.633 1.00 0.00 O ATOM 1114 CB VAL A 70 -8.584 1.441 5.020 1.00 0.00 C ATOM 1115 CG1 VAL A 70 -7.645 0.808 6.063 1.00 0.00 C ATOM 1116 CG2 VAL A 70 -8.155 2.899 4.804 1.00 0.00 C ATOM 0 H VAL A 70 -6.875 1.094 2.664 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.160 -0.299 3.836 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.601 1.402 5.411 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.647 1.413 6.969 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.989 -0.199 6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.633 0.761 5.661 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.117 3.413 5.764 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.169 2.923 4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.874 3.397 4.154 1.00 0.00 H new ATOM 1126 N LEU A 71 -10.801 1.609 2.950 1.00 0.00 N ATOM 1127 CA LEU A 71 -11.752 2.350 2.120 1.00 0.00 C ATOM 1128 C LEU A 71 -12.711 3.165 2.980 1.00 0.00 C ATOM 1129 O LEU A 71 -12.563 3.239 4.203 1.00 0.00 O ATOM 1130 CB LEU A 71 -12.562 1.360 1.250 1.00 0.00 C ATOM 1131 CG LEU A 71 -13.619 0.517 2.021 1.00 0.00 C ATOM 1132 CD1 LEU A 71 -15.033 0.664 1.439 1.00 0.00 C ATOM 1133 CD2 LEU A 71 -13.241 -0.962 2.060 1.00 0.00 C ATOM 0 H LEU A 71 -11.224 1.231 3.798 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.190 3.034 1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.069 1.921 0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.867 0.680 0.757 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.626 0.913 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.729 0.055 2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.340 1.709 1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -15.035 0.333 0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.003 -1.518 2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.171 -1.347 1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.279 -1.079 2.559 1.00 0.00 H new