USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 624 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 22 THR OG1 : rot 167:sc= 1.26 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.0874 X(o=1.2,f=1.2) USER MOD Set 2.1: A 7 THR OG1 : rot 140:sc= 1.3 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.09 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 154:sc= 1.13 (180deg=-0.103) USER MOD Set 3.2: A 68 HIS : no HE2:sc= -0.185 K(o=0.95,f=-3.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0.179 (180deg=0.15) USER MOD Single : A 2 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.43) USER MOD Single : A 11 LYS NZ :NH3+ -160:sc= -0.0496 (180deg=-0.523) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0242 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -40:sc=0.000929 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= 1.25 (180deg=1.19) USER MOD Single : A 31 GLN :FLIP amide:sc=-0.00265 F(o=-1,f=-0.0027) USER MOD Single : A 33 LYS NZ :NH3+ 174:sc= 1.12 (180deg=1.04) USER MOD Single : A 40 GLN : amide:sc=-0.00533 K(o=-0.0053,f=-0.54) USER MOD Single : A 41 ASN : amide:sc= 0.633 K(o=0.63,f=-0.52) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.547 F(o=-2.6!,f=-0.55) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.373 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 177:sc= 0.437 USER MOD Single : A 60 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.14) USER MOD Single : A 62 GLN : amide:sc= -0.492 X(o=-0.49,f=-0.69) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -101:sc= 1.34 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.613 -2.680 3.994 1.00 0.00 N ATOM 2 CA MET A 1 -13.246 -2.673 2.563 1.00 0.00 C ATOM 3 C MET A 1 -11.946 -3.458 2.373 1.00 0.00 C ATOM 4 O MET A 1 -11.120 -3.418 3.276 1.00 0.00 O ATOM 5 CB MET A 1 -13.054 -1.218 2.101 1.00 0.00 C ATOM 6 CG MET A 1 -14.091 -0.769 1.087 1.00 0.00 C ATOM 7 SD MET A 1 -15.695 -0.493 1.855 1.00 0.00 S ATOM 8 CE MET A 1 -16.549 0.277 0.473 1.00 0.00 C ATOM 0 H1 MET A 1 -14.567 -2.283 4.110 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.599 -3.657 4.351 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.932 -2.105 4.530 1.00 0.00 H new ATOM 0 HA MET A 1 -14.035 -3.138 1.972 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.096 -0.560 2.969 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.060 -1.110 1.666 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.755 0.149 0.605 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.186 -1.523 0.305 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.570 0.521 0.766 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.027 1.189 0.185 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.569 -0.412 -0.372 1.00 0.00 H new ATOM 18 N GLN A 2 -11.706 -4.167 1.259 1.00 0.00 N ATOM 19 CA GLN A 2 -10.454 -4.908 1.054 1.00 0.00 C ATOM 20 C GLN A 2 -9.814 -4.577 -0.293 1.00 0.00 C ATOM 21 O GLN A 2 -10.495 -4.138 -1.224 1.00 0.00 O ATOM 22 CB GLN A 2 -10.639 -6.431 1.238 1.00 0.00 C ATOM 23 CG GLN A 2 -11.117 -7.191 -0.006 1.00 0.00 C ATOM 24 CD GLN A 2 -11.299 -8.679 0.279 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.679 -9.107 1.367 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.071 -9.519 -0.705 1.00 0.00 N ATOM 0 H GLN A 2 -12.366 -4.242 0.485 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.765 -4.578 1.831 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.690 -6.859 1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.355 -6.598 2.043 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.061 -6.768 -0.351 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.395 -7.060 -0.812 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.756 -9.171 -1.610 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.209 -10.520 -0.564 1.00 0.00 H new ATOM 35 N ILE A 3 -8.505 -4.789 -0.406 1.00 0.00 N ATOM 36 CA ILE A 3 -7.715 -4.563 -1.616 1.00 0.00 C ATOM 37 C ILE A 3 -6.651 -5.662 -1.694 1.00 0.00 C ATOM 38 O ILE A 3 -6.364 -6.328 -0.691 1.00 0.00 O ATOM 39 CB ILE A 3 -7.096 -3.138 -1.692 1.00 0.00 C ATOM 40 CG1 ILE A 3 -5.820 -2.904 -0.851 1.00 0.00 C ATOM 41 CG2 ILE A 3 -8.125 -2.025 -1.420 1.00 0.00 C ATOM 42 CD1 ILE A 3 -5.959 -3.180 0.646 1.00 0.00 C ATOM 0 H ILE A 3 -7.943 -5.136 0.371 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.373 -4.616 -2.483 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.771 -3.081 -2.731 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.024 -3.535 -1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.503 -1.870 -0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.636 -1.053 -1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.925 -2.080 -2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.544 -2.153 -0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.008 -2.985 1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.727 -2.531 1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.241 -4.222 0.799 1.00 0.00 H new ATOM 54 N PHE A 4 -6.066 -5.849 -2.874 1.00 0.00 N ATOM 55 CA PHE A 4 -5.028 -6.836 -3.114 1.00 0.00 C ATOM 56 C PHE A 4 -3.683 -6.123 -3.057 1.00 0.00 C ATOM 57 O PHE A 4 -3.561 -4.957 -3.441 1.00 0.00 O ATOM 58 CB PHE A 4 -5.270 -7.556 -4.443 1.00 0.00 C ATOM 59 CG PHE A 4 -6.661 -8.152 -4.529 1.00 0.00 C ATOM 60 CD1 PHE A 4 -7.049 -9.160 -3.628 1.00 0.00 C ATOM 61 CD2 PHE A 4 -7.591 -7.650 -5.457 1.00 0.00 C ATOM 62 CE1 PHE A 4 -8.369 -9.647 -3.645 1.00 0.00 C ATOM 63 CE2 PHE A 4 -8.902 -8.151 -5.478 1.00 0.00 C ATOM 64 CZ PHE A 4 -9.296 -9.150 -4.576 1.00 0.00 C ATOM 0 H PHE A 4 -6.308 -5.306 -3.703 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.040 -7.613 -2.350 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.126 -6.855 -5.265 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.530 -8.347 -4.565 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.334 -9.560 -2.924 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.296 -6.879 -6.154 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.671 -10.406 -2.939 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.612 -7.764 -6.194 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.305 -9.534 -4.597 1.00 0.00 H new ATOM 74 N VAL A 5 -2.661 -6.842 -2.610 1.00 0.00 N ATOM 75 CA VAL A 5 -1.304 -6.364 -2.441 1.00 0.00 C ATOM 76 C VAL A 5 -0.333 -7.370 -3.051 1.00 0.00 C ATOM 77 O VAL A 5 -0.135 -8.462 -2.518 1.00 0.00 O ATOM 78 CB VAL A 5 -1.087 -6.081 -0.931 1.00 0.00 C ATOM 79 CG1 VAL A 5 0.364 -6.132 -0.427 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.665 -4.696 -0.591 1.00 0.00 C ATOM 0 H VAL A 5 -2.766 -7.821 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.118 -5.429 -2.970 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.599 -6.899 -0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.386 -5.918 0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.777 -7.125 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.960 -5.390 -0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.516 -4.490 0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.158 -3.935 -1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.731 -4.681 -0.817 1.00 0.00 H new ATOM 90 N LYS A 6 0.206 -7.039 -4.225 1.00 0.00 N ATOM 91 CA LYS A 6 1.190 -7.858 -4.920 1.00 0.00 C ATOM 92 C LYS A 6 2.522 -7.558 -4.231 1.00 0.00 C ATOM 93 O LYS A 6 2.829 -6.377 -4.011 1.00 0.00 O ATOM 94 CB LYS A 6 1.270 -7.453 -6.399 1.00 0.00 C ATOM 95 CG LYS A 6 2.158 -8.378 -7.252 1.00 0.00 C ATOM 96 CD LYS A 6 1.409 -9.591 -7.820 1.00 0.00 C ATOM 97 CE LYS A 6 0.450 -9.267 -8.977 1.00 0.00 C ATOM 98 NZ LYS A 6 1.130 -8.690 -10.155 1.00 0.00 N ATOM 0 H LYS A 6 -0.034 -6.182 -4.724 1.00 0.00 H new ATOM 0 HA LYS A 6 0.934 -8.917 -4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.264 -7.444 -6.818 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.653 -6.435 -6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.581 -7.804 -8.076 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.993 -8.728 -6.645 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.139 -10.323 -8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.842 -10.060 -7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.069 -10.178 -9.276 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.309 -8.568 -8.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.576 -8.895 -11.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.216 -7.660 -10.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.078 -9.108 -10.248 1.00 0.00 H new ATOM 112 N THR A 7 3.288 -8.581 -3.877 1.00 0.00 N ATOM 113 CA THR A 7 4.585 -8.431 -3.226 1.00 0.00 C ATOM 114 C THR A 7 5.713 -8.476 -4.266 1.00 0.00 C ATOM 115 O THR A 7 5.504 -8.884 -5.414 1.00 0.00 O ATOM 116 CB THR A 7 4.776 -9.560 -2.196 1.00 0.00 C ATOM 117 OG1 THR A 7 4.867 -10.793 -2.876 1.00 0.00 O ATOM 118 CG2 THR A 7 3.637 -9.659 -1.174 1.00 0.00 C ATOM 0 H THR A 7 3.023 -9.553 -4.036 1.00 0.00 H new ATOM 0 HA THR A 7 4.619 -7.467 -2.719 1.00 0.00 H new ATOM 0 HB THR A 7 5.688 -9.327 -1.646 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.558 -11.347 -2.457 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.840 -10.476 -0.481 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.563 -8.723 -0.620 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.698 -9.849 -1.693 1.00 0.00 H new ATOM 126 N LEU A 8 6.935 -8.099 -3.870 1.00 0.00 N ATOM 127 CA LEU A 8 8.100 -8.148 -4.756 1.00 0.00 C ATOM 128 C LEU A 8 8.480 -9.613 -5.012 1.00 0.00 C ATOM 129 O LEU A 8 9.185 -9.903 -5.979 1.00 0.00 O ATOM 130 CB LEU A 8 9.303 -7.408 -4.142 1.00 0.00 C ATOM 131 CG LEU A 8 9.285 -5.883 -4.354 1.00 0.00 C ATOM 132 CD1 LEU A 8 10.448 -5.253 -3.587 1.00 0.00 C ATOM 133 CD2 LEU A 8 9.470 -5.505 -5.825 1.00 0.00 C ATOM 0 H LEU A 8 7.141 -7.754 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 8 7.839 -7.655 -5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.334 -7.614 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.220 -7.812 -4.571 1.00 0.00 H new ATOM 0 HG LEU A 8 8.317 -5.524 -4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.439 -4.173 -3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.346 -5.475 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.390 -5.661 -3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.451 -4.420 -5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.427 -5.886 -6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.664 -5.939 -6.416 1.00 0.00 H new ATOM 145 N THR A 9 8.014 -10.537 -4.164 1.00 0.00 N ATOM 146 CA THR A 9 8.254 -11.969 -4.266 1.00 0.00 C ATOM 147 C THR A 9 7.303 -12.619 -5.294 1.00 0.00 C ATOM 148 O THR A 9 7.300 -13.841 -5.438 1.00 0.00 O ATOM 149 CB THR A 9 8.212 -12.596 -2.857 1.00 0.00 C ATOM 150 OG1 THR A 9 6.991 -12.346 -2.181 1.00 0.00 O ATOM 151 CG2 THR A 9 9.325 -12.014 -1.977 1.00 0.00 C ATOM 0 H THR A 9 7.438 -10.291 -3.359 1.00 0.00 H new ATOM 0 HA THR A 9 9.252 -12.162 -4.658 1.00 0.00 H new ATOM 0 HB THR A 9 8.333 -13.668 -3.010 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.016 -12.765 -1.296 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.281 -12.467 -0.987 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.294 -12.225 -2.429 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.193 -10.936 -1.889 1.00 0.00 H new ATOM 159 N GLY A 10 6.495 -11.818 -6.004 1.00 0.00 N ATOM 160 CA GLY A 10 5.549 -12.241 -7.036 1.00 0.00 C ATOM 161 C GLY A 10 4.290 -12.877 -6.471 1.00 0.00 C ATOM 162 O GLY A 10 3.568 -13.585 -7.180 1.00 0.00 O ATOM 0 H GLY A 10 6.487 -10.808 -5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.272 -11.378 -7.641 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.040 -12.952 -7.701 1.00 0.00 H new ATOM 166 N LYS A 11 4.058 -12.698 -5.179 1.00 0.00 N ATOM 167 CA LYS A 11 2.930 -13.229 -4.440 1.00 0.00 C ATOM 168 C LYS A 11 1.828 -12.187 -4.387 1.00 0.00 C ATOM 169 O LYS A 11 2.056 -11.028 -4.738 1.00 0.00 O ATOM 170 CB LYS A 11 3.448 -13.496 -3.023 1.00 0.00 C ATOM 171 CG LYS A 11 2.853 -14.750 -2.383 1.00 0.00 C ATOM 172 CD LYS A 11 3.360 -14.880 -0.947 1.00 0.00 C ATOM 173 CE LYS A 11 2.680 -13.857 -0.027 1.00 0.00 C ATOM 174 NZ LYS A 11 3.393 -13.775 1.260 1.00 0.00 N ATOM 0 H LYS A 11 4.686 -12.150 -4.591 1.00 0.00 H new ATOM 0 HA LYS A 11 2.529 -14.131 -4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.533 -13.593 -3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.223 -12.635 -2.394 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.764 -14.694 -2.392 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.131 -15.632 -2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.168 -15.888 -0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.440 -14.733 -0.924 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.667 -12.878 -0.507 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.642 -14.143 0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.765 -13.362 1.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.681 -14.729 1.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.237 -13.176 1.152 1.00 0.00 H new ATOM 188 N THR A 12 0.646 -12.572 -3.914 1.00 0.00 N ATOM 189 CA THR A 12 -0.459 -11.643 -3.775 1.00 0.00 C ATOM 190 C THR A 12 -1.134 -11.936 -2.438 1.00 0.00 C ATOM 191 O THR A 12 -1.308 -13.095 -2.054 1.00 0.00 O ATOM 192 CB THR A 12 -1.418 -11.666 -4.984 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.754 -11.847 -6.226 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.152 -10.323 -5.078 1.00 0.00 C ATOM 0 H THR A 12 0.434 -13.526 -3.621 1.00 0.00 H new ATOM 0 HA THR A 12 -0.093 -10.616 -3.771 1.00 0.00 H new ATOM 0 HB THR A 12 -2.091 -12.507 -4.816 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.413 -11.854 -6.951 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.830 -10.338 -5.932 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.723 -10.155 -4.164 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.426 -9.520 -5.205 1.00 0.00 H new ATOM 202 N ILE A 13 -1.470 -10.879 -1.705 1.00 0.00 N ATOM 203 CA ILE A 13 -2.110 -10.917 -0.392 1.00 0.00 C ATOM 204 C ILE A 13 -3.335 -9.995 -0.448 1.00 0.00 C ATOM 205 O ILE A 13 -3.490 -9.218 -1.392 1.00 0.00 O ATOM 206 CB ILE A 13 -1.074 -10.504 0.696 1.00 0.00 C ATOM 207 CG1 ILE A 13 0.254 -11.292 0.551 1.00 0.00 C ATOM 208 CG2 ILE A 13 -1.615 -10.703 2.127 1.00 0.00 C ATOM 209 CD1 ILE A 13 1.377 -10.775 1.446 1.00 0.00 C ATOM 0 H ILE A 13 -1.295 -9.926 -2.025 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.451 -11.917 -0.126 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.886 -9.442 0.536 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.071 -12.341 0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.580 -11.248 -0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.856 -10.401 2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.509 -10.095 2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.863 -11.753 2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.273 -11.375 1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.589 -9.735 1.199 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.072 -10.845 2.490 1.00 0.00 H new ATOM 221 N THR A 14 -4.192 -10.057 0.565 1.00 0.00 N ATOM 222 CA THR A 14 -5.401 -9.265 0.717 1.00 0.00 C ATOM 223 C THR A 14 -5.326 -8.578 2.081 1.00 0.00 C ATOM 224 O THR A 14 -4.829 -9.185 3.031 1.00 0.00 O ATOM 225 CB THR A 14 -6.635 -10.181 0.687 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.418 -11.398 -0.013 1.00 0.00 O ATOM 227 CG2 THR A 14 -7.855 -9.462 0.133 1.00 0.00 C ATOM 0 H THR A 14 -4.051 -10.699 1.345 1.00 0.00 H new ATOM 0 HA THR A 14 -5.483 -8.538 -0.091 1.00 0.00 H new ATOM 0 HB THR A 14 -6.825 -10.444 1.727 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.237 -11.936 0.005 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.707 -10.142 0.128 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.084 -8.599 0.758 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.650 -9.129 -0.884 1.00 0.00 H new ATOM 235 N LEU A 15 -5.805 -7.337 2.201 1.00 0.00 N ATOM 236 CA LEU A 15 -5.807 -6.583 3.457 1.00 0.00 C ATOM 237 C LEU A 15 -7.112 -5.807 3.550 1.00 0.00 C ATOM 238 O LEU A 15 -7.685 -5.468 2.511 1.00 0.00 O ATOM 239 CB LEU A 15 -4.676 -5.539 3.507 1.00 0.00 C ATOM 240 CG LEU A 15 -3.251 -6.029 3.227 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.332 -4.810 3.134 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.710 -6.957 4.316 1.00 0.00 C ATOM 0 H LEU A 15 -6.207 -6.821 1.418 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.677 -7.299 4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.910 -4.754 2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.686 -5.079 4.495 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.279 -6.598 2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.312 -5.138 2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.669 -4.161 2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.359 -4.261 4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.698 -7.269 4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.696 -6.429 5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.351 -7.835 4.397 1.00 0.00 H new ATOM 254 N GLU A 16 -7.553 -5.501 4.769 1.00 0.00 N ATOM 255 CA GLU A 16 -8.767 -4.733 5.023 1.00 0.00 C ATOM 256 C GLU A 16 -8.336 -3.297 5.320 1.00 0.00 C ATOM 257 O GLU A 16 -7.388 -3.085 6.072 1.00 0.00 O ATOM 258 CB GLU A 16 -9.594 -5.338 6.170 1.00 0.00 C ATOM 259 CG GLU A 16 -10.723 -4.384 6.606 1.00 0.00 C ATOM 260 CD GLU A 16 -11.892 -5.099 7.273 1.00 0.00 C ATOM 261 OE1 GLU A 16 -12.635 -5.815 6.567 1.00 0.00 O ATOM 262 OE2 GLU A 16 -12.161 -4.866 8.471 1.00 0.00 O ATOM 0 H GLU A 16 -7.068 -5.785 5.620 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.422 -4.755 4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.021 -6.289 5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.944 -5.548 7.019 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.318 -3.644 7.296 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.088 -3.841 5.734 1.00 0.00 H new ATOM 269 N VAL A 17 -9.010 -2.312 4.739 1.00 0.00 N ATOM 270 CA VAL A 17 -8.788 -0.876 4.861 1.00 0.00 C ATOM 271 C VAL A 17 -10.151 -0.177 4.763 1.00 0.00 C ATOM 272 O VAL A 17 -11.169 -0.838 4.541 1.00 0.00 O ATOM 273 CB VAL A 17 -7.855 -0.401 3.721 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.455 -1.029 3.790 1.00 0.00 C ATOM 275 CG2 VAL A 17 -8.445 -0.655 2.318 1.00 0.00 C ATOM 0 H VAL A 17 -9.793 -2.515 4.117 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.316 -0.636 5.814 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.765 0.674 3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.848 -0.657 2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.983 -0.763 4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.539 -2.113 3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.746 -0.301 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.617 -1.723 2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.390 -0.120 2.218 1.00 0.00 H new ATOM 285 N GLU A 18 -10.198 1.147 4.911 1.00 0.00 N ATOM 286 CA GLU A 18 -11.412 1.937 4.799 1.00 0.00 C ATOM 287 C GLU A 18 -11.077 3.268 4.113 1.00 0.00 C ATOM 288 O GLU A 18 -9.918 3.687 4.139 1.00 0.00 O ATOM 289 CB GLU A 18 -12.051 2.204 6.162 1.00 0.00 C ATOM 290 CG GLU A 18 -12.627 0.963 6.868 1.00 0.00 C ATOM 291 CD GLU A 18 -13.683 0.197 6.059 1.00 0.00 C ATOM 292 OE1 GLU A 18 -13.957 -0.981 6.397 1.00 0.00 O ATOM 293 OE2 GLU A 18 -14.280 0.749 5.108 1.00 0.00 O ATOM 0 H GLU A 18 -9.371 1.708 5.117 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.133 1.372 4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.305 2.659 6.813 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.850 2.934 6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.808 0.284 7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.069 1.273 7.815 1.00 0.00 H new ATOM 300 N PRO A 19 -12.061 3.974 3.532 1.00 0.00 N ATOM 301 CA PRO A 19 -11.843 5.245 2.843 1.00 0.00 C ATOM 302 C PRO A 19 -11.178 6.343 3.690 1.00 0.00 C ATOM 303 O PRO A 19 -10.398 7.137 3.151 1.00 0.00 O ATOM 304 CB PRO A 19 -13.230 5.683 2.358 1.00 0.00 C ATOM 305 CG PRO A 19 -13.993 4.363 2.261 1.00 0.00 C ATOM 306 CD PRO A 19 -13.459 3.571 3.433 1.00 0.00 C ATOM 0 HA PRO A 19 -11.130 5.095 2.033 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.703 6.372 3.058 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.179 6.191 1.395 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.070 4.514 2.334 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.805 3.857 1.314 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.005 3.799 4.349 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.553 2.498 3.264 1.00 0.00 H new ATOM 314 N SER A 20 -11.485 6.419 4.988 1.00 0.00 N ATOM 315 CA SER A 20 -10.938 7.413 5.905 1.00 0.00 C ATOM 316 C SER A 20 -9.656 6.930 6.592 1.00 0.00 C ATOM 317 O SER A 20 -9.063 7.714 7.340 1.00 0.00 O ATOM 318 CB SER A 20 -12.021 7.801 6.928 1.00 0.00 C ATOM 319 OG SER A 20 -11.822 9.109 7.434 1.00 0.00 O ATOM 0 H SER A 20 -12.136 5.775 5.437 1.00 0.00 H new ATOM 0 HA SER A 20 -10.651 8.295 5.332 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.003 7.738 6.459 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.015 7.088 7.752 1.00 0.00 H new ATOM 0 HG SER A 20 -10.865 9.260 7.582 1.00 0.00 H new ATOM 325 N ASP A 21 -9.234 5.675 6.390 1.00 0.00 N ATOM 326 CA ASP A 21 -8.011 5.172 7.013 1.00 0.00 C ATOM 327 C ASP A 21 -6.826 5.871 6.362 1.00 0.00 C ATOM 328 O ASP A 21 -6.758 5.978 5.130 1.00 0.00 O ATOM 329 CB ASP A 21 -7.813 3.653 6.830 1.00 0.00 C ATOM 330 CG ASP A 21 -8.580 2.766 7.806 1.00 0.00 C ATOM 331 OD1 ASP A 21 -8.568 1.531 7.596 1.00 0.00 O ATOM 332 OD2 ASP A 21 -9.173 3.280 8.783 1.00 0.00 O ATOM 0 H ASP A 21 -9.720 4.996 5.804 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.088 5.371 8.082 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.108 3.386 5.815 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.750 3.430 6.922 1.00 0.00 H new ATOM 337 N THR A 22 -5.895 6.374 7.173 1.00 0.00 N ATOM 338 CA THR A 22 -4.722 7.015 6.613 1.00 0.00 C ATOM 339 C THR A 22 -3.813 5.919 6.073 1.00 0.00 C ATOM 340 O THR A 22 -3.828 4.791 6.578 1.00 0.00 O ATOM 341 CB THR A 22 -3.977 7.862 7.647 1.00 0.00 C ATOM 342 OG1 THR A 22 -3.749 7.198 8.866 1.00 0.00 O ATOM 343 CG2 THR A 22 -4.713 9.164 7.907 1.00 0.00 C ATOM 0 H THR A 22 -5.933 6.349 8.192 1.00 0.00 H new ATOM 0 HA THR A 22 -5.029 7.697 5.820 1.00 0.00 H new ATOM 0 HB THR A 22 -2.999 8.065 7.210 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.094 7.700 9.394 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.166 9.750 8.645 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.790 9.730 6.979 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.713 8.948 8.284 1.00 0.00 H new ATOM 351 N ILE A 23 -2.956 6.271 5.114 1.00 0.00 N ATOM 352 CA ILE A 23 -2.000 5.355 4.495 1.00 0.00 C ATOM 353 C ILE A 23 -1.094 4.709 5.555 1.00 0.00 C ATOM 354 O ILE A 23 -0.545 3.635 5.325 1.00 0.00 O ATOM 355 CB ILE A 23 -1.229 6.128 3.409 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.155 6.606 2.270 1.00 0.00 C ATOM 357 CG2 ILE A 23 -0.045 5.341 2.830 1.00 0.00 C ATOM 358 CD1 ILE A 23 -2.898 5.511 1.493 1.00 0.00 C ATOM 0 H ILE A 23 -2.907 7.218 4.739 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.513 4.522 4.015 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.821 7.002 3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.894 7.287 2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.558 7.182 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.455 5.942 2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.659 5.104 3.627 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.408 4.417 2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.516 5.969 0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.175 4.840 1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.532 4.946 2.177 1.00 0.00 H new ATOM 370 N GLU A 24 -0.947 5.343 6.718 1.00 0.00 N ATOM 371 CA GLU A 24 -0.162 4.861 7.844 1.00 0.00 C ATOM 372 C GLU A 24 -0.715 3.482 8.231 1.00 0.00 C ATOM 373 O GLU A 24 0.036 2.516 8.343 1.00 0.00 O ATOM 374 CB GLU A 24 -0.306 5.860 9.004 1.00 0.00 C ATOM 375 CG GLU A 24 0.126 7.289 8.637 1.00 0.00 C ATOM 376 CD GLU A 24 -0.382 8.294 9.666 1.00 0.00 C ATOM 377 OE1 GLU A 24 -1.620 8.448 9.796 1.00 0.00 O ATOM 378 OE2 GLU A 24 0.455 8.933 10.343 1.00 0.00 O ATOM 0 H GLU A 24 -1.391 6.242 6.905 1.00 0.00 H new ATOM 0 HA GLU A 24 0.896 4.773 7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.345 5.876 9.333 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.290 5.514 9.848 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.213 7.341 8.579 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.259 7.547 7.650 1.00 0.00 H new ATOM 385 N ASN A 25 -2.047 3.386 8.365 1.00 0.00 N ATOM 386 CA ASN A 25 -2.763 2.157 8.716 1.00 0.00 C ATOM 387 C ASN A 25 -2.481 1.102 7.675 1.00 0.00 C ATOM 388 O ASN A 25 -2.126 -0.025 7.990 1.00 0.00 O ATOM 389 CB ASN A 25 -4.295 2.329 8.752 1.00 0.00 C ATOM 390 CG ASN A 25 -4.674 3.235 9.883 1.00 0.00 C ATOM 391 OD1 ASN A 25 -4.930 2.805 10.999 1.00 0.00 O ATOM 392 ND2 ASN A 25 -4.595 4.517 9.617 1.00 0.00 N ATOM 0 H ASN A 25 -2.668 4.183 8.228 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.414 1.881 9.711 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.646 2.744 7.807 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.777 1.359 8.873 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.750 5.202 10.357 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.379 4.829 8.670 1.00 0.00 H new ATOM 399 N VAL A 26 -2.679 1.473 6.414 1.00 0.00 N ATOM 400 CA VAL A 26 -2.489 0.622 5.253 1.00 0.00 C ATOM 401 C VAL A 26 -1.078 0.026 5.282 1.00 0.00 C ATOM 402 O VAL A 26 -0.911 -1.174 5.066 1.00 0.00 O ATOM 403 CB VAL A 26 -2.817 1.436 3.985 1.00 0.00 C ATOM 404 CG1 VAL A 26 -2.862 0.523 2.753 1.00 0.00 C ATOM 405 CG2 VAL A 26 -4.158 2.191 4.131 1.00 0.00 C ATOM 0 H VAL A 26 -2.989 2.413 6.167 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.168 -0.231 5.257 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.024 2.172 3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.095 1.116 1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.893 0.041 2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.630 -0.238 2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.359 2.755 3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.962 1.475 4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.099 2.877 4.976 1.00 0.00 H new ATOM 415 N LYS A 27 -0.063 0.841 5.582 1.00 0.00 N ATOM 416 CA LYS A 27 1.315 0.386 5.657 1.00 0.00 C ATOM 417 C LYS A 27 1.485 -0.525 6.878 1.00 0.00 C ATOM 418 O LYS A 27 2.154 -1.550 6.782 1.00 0.00 O ATOM 419 CB LYS A 27 2.249 1.596 5.634 1.00 0.00 C ATOM 420 CG LYS A 27 3.695 1.202 5.284 1.00 0.00 C ATOM 421 CD LYS A 27 4.482 2.383 4.700 1.00 0.00 C ATOM 422 CE LYS A 27 4.420 3.589 5.642 1.00 0.00 C ATOM 423 NZ LYS A 27 5.038 4.796 5.068 1.00 0.00 N ATOM 0 H LYS A 27 -0.181 1.835 5.779 1.00 0.00 H new ATOM 0 HA LYS A 27 1.584 -0.219 4.791 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.885 2.321 4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.232 2.085 6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.199 0.836 6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.685 0.382 4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.520 2.092 4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.074 2.654 3.726 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.379 3.801 5.885 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.922 3.340 6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.967 5.579 5.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.039 4.608 4.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.545 5.054 4.190 1.00 0.00 H new ATOM 437 N ALA A 28 0.879 -0.197 8.020 1.00 0.00 N ATOM 438 CA ALA A 28 0.961 -1.014 9.226 1.00 0.00 C ATOM 439 C ALA A 28 0.363 -2.404 8.965 1.00 0.00 C ATOM 440 O ALA A 28 0.955 -3.412 9.358 1.00 0.00 O ATOM 441 CB ALA A 28 0.241 -0.306 10.381 1.00 0.00 C ATOM 0 H ALA A 28 0.316 0.646 8.132 1.00 0.00 H new ATOM 0 HA ALA A 28 2.006 -1.147 9.504 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.304 -0.919 11.280 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.712 0.659 10.566 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.806 -0.154 10.119 1.00 0.00 H new ATOM 447 N LYS A 29 -0.777 -2.455 8.268 1.00 0.00 N ATOM 448 CA LYS A 29 -1.515 -3.661 7.902 1.00 0.00 C ATOM 449 C LYS A 29 -0.684 -4.580 7.003 1.00 0.00 C ATOM 450 O LYS A 29 -0.933 -5.785 7.017 1.00 0.00 O ATOM 451 CB LYS A 29 -2.855 -3.263 7.249 1.00 0.00 C ATOM 452 CG LYS A 29 -3.889 -2.745 8.274 1.00 0.00 C ATOM 453 CD LYS A 29 -4.890 -1.766 7.646 1.00 0.00 C ATOM 454 CE LYS A 29 -6.027 -1.339 8.592 1.00 0.00 C ATOM 455 NZ LYS A 29 -7.098 -2.352 8.707 1.00 0.00 N ATOM 0 H LYS A 29 -1.231 -1.608 7.927 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.728 -4.235 8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.674 -2.492 6.500 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.269 -4.125 6.725 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.429 -3.590 8.701 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.368 -2.252 9.095 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.354 -0.877 7.315 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.324 -2.226 6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.614 -1.142 9.581 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.457 -0.403 8.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.950 -1.912 9.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.317 -2.734 7.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.781 -3.123 9.328 1.00 0.00 H new ATOM 469 N ILE A 30 0.280 -4.061 6.225 1.00 0.00 N ATOM 470 CA ILE A 30 1.126 -4.906 5.379 1.00 0.00 C ATOM 471 C ILE A 30 2.388 -5.291 6.155 1.00 0.00 C ATOM 472 O ILE A 30 2.869 -6.406 5.982 1.00 0.00 O ATOM 473 CB ILE A 30 1.389 -4.311 3.979 1.00 0.00 C ATOM 474 CG1 ILE A 30 2.208 -5.244 3.064 1.00 0.00 C ATOM 475 CG2 ILE A 30 2.058 -2.936 3.994 1.00 0.00 C ATOM 476 CD1 ILE A 30 1.647 -6.667 2.914 1.00 0.00 C ATOM 0 H ILE A 30 0.489 -3.064 6.167 1.00 0.00 H new ATOM 0 HA ILE A 30 0.587 -5.825 5.149 1.00 0.00 H new ATOM 0 HB ILE A 30 0.384 -4.196 3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.275 -4.790 2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.224 -5.310 3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.206 -2.592 2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.423 -2.228 4.526 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.023 -3.006 4.496 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.292 -7.245 2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.607 -7.147 3.892 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.643 -6.620 2.491 1.00 0.00 H new ATOM 488 N GLN A 31 2.922 -4.443 7.046 1.00 0.00 N ATOM 489 CA GLN A 31 4.115 -4.799 7.828 1.00 0.00 C ATOM 490 C GLN A 31 3.826 -6.039 8.683 1.00 0.00 C ATOM 491 O GLN A 31 4.721 -6.848 8.929 1.00 0.00 O ATOM 492 CB GLN A 31 4.565 -3.633 8.707 1.00 0.00 C ATOM 493 CG GLN A 31 5.202 -2.532 7.864 1.00 0.00 C ATOM 494 CD GLN A 31 5.626 -1.378 8.770 1.00 0.00 C ATOM 495 OE1 GLN A 31 5.089 -0.190 8.545 1.00 0.00 O flip ATOM 496 NE2 GLN A 31 6.355 -1.545 9.745 1.00 0.00 N flip ATOM 0 H GLN A 31 2.551 -3.514 7.242 1.00 0.00 H new ATOM 0 HA GLN A 31 4.927 -5.025 7.137 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.710 -3.232 9.252 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.279 -3.987 9.451 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.066 -2.924 7.328 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.495 -2.178 7.114 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.770 -2.460 9.921 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.545 -0.769 10.379 1.00 0.00 H new ATOM 505 N ASP A 32 2.557 -6.202 9.062 1.00 0.00 N ATOM 506 CA ASP A 32 1.973 -7.298 9.837 1.00 0.00 C ATOM 507 C ASP A 32 2.079 -8.643 9.091 1.00 0.00 C ATOM 508 O ASP A 32 1.808 -9.689 9.676 1.00 0.00 O ATOM 509 CB ASP A 32 0.504 -6.904 10.088 1.00 0.00 C ATOM 510 CG ASP A 32 -0.439 -8.008 10.581 1.00 0.00 C ATOM 511 OD1 ASP A 32 -1.064 -8.698 9.737 1.00 0.00 O ATOM 512 OD2 ASP A 32 -0.733 -8.048 11.798 1.00 0.00 O ATOM 0 H ASP A 32 1.850 -5.510 8.813 1.00 0.00 H new ATOM 0 HA ASP A 32 2.508 -7.443 10.775 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.490 -6.096 10.819 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.098 -6.501 9.160 1.00 0.00 H new ATOM 517 N LYS A 33 2.493 -8.632 7.814 1.00 0.00 N ATOM 518 CA LYS A 33 2.638 -9.810 6.961 1.00 0.00 C ATOM 519 C LYS A 33 3.965 -9.828 6.206 1.00 0.00 C ATOM 520 O LYS A 33 4.560 -10.896 6.075 1.00 0.00 O ATOM 521 CB LYS A 33 1.470 -9.866 5.955 1.00 0.00 C ATOM 522 CG LYS A 33 0.123 -9.948 6.683 1.00 0.00 C ATOM 523 CD LYS A 33 -1.079 -10.092 5.745 1.00 0.00 C ATOM 524 CE LYS A 33 -2.407 -10.227 6.508 1.00 0.00 C ATOM 525 NZ LYS A 33 -2.652 -9.131 7.471 1.00 0.00 N ATOM 0 H LYS A 33 2.744 -7.767 7.335 1.00 0.00 H new ATOM 0 HA LYS A 33 2.623 -10.685 7.611 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.490 -8.981 5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.588 -10.731 5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.142 -10.796 7.367 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.007 -9.052 7.290 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.128 -9.225 5.087 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.938 -10.967 5.110 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.227 -10.259 5.790 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.414 -11.177 7.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.606 -9.230 7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.947 -9.176 8.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.576 -8.216 6.982 1.00 0.00 H new ATOM 539 N GLU A 34 4.444 -8.681 5.719 1.00 0.00 N ATOM 540 CA GLU A 34 5.689 -8.603 4.964 1.00 0.00 C ATOM 541 C GLU A 34 6.921 -8.623 5.865 1.00 0.00 C ATOM 542 O GLU A 34 7.958 -9.134 5.437 1.00 0.00 O ATOM 543 CB GLU A 34 5.663 -7.386 4.019 1.00 0.00 C ATOM 544 CG GLU A 34 6.681 -7.473 2.864 1.00 0.00 C ATOM 545 CD GLU A 34 6.366 -8.549 1.809 1.00 0.00 C ATOM 546 OE1 GLU A 34 6.100 -8.177 0.648 1.00 0.00 O ATOM 547 OE2 GLU A 34 6.419 -9.765 2.124 1.00 0.00 O ATOM 0 H GLU A 34 3.977 -7.782 5.839 1.00 0.00 H new ATOM 0 HA GLU A 34 5.768 -9.500 4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.661 -7.284 3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.861 -6.484 4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.733 -6.503 2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.668 -7.671 3.282 1.00 0.00 H new ATOM 554 N GLY A 35 6.826 -8.081 7.082 1.00 0.00 N ATOM 555 CA GLY A 35 7.925 -8.068 8.032 1.00 0.00 C ATOM 556 C GLY A 35 9.122 -7.239 7.591 1.00 0.00 C ATOM 557 O GLY A 35 10.206 -7.790 7.413 1.00 0.00 O ATOM 0 H GLY A 35 5.976 -7.638 7.431 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.562 -7.683 8.985 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.252 -9.093 8.206 1.00 0.00 H new ATOM 561 N ILE A 36 8.918 -5.947 7.341 1.00 0.00 N ATOM 562 CA ILE A 36 9.947 -4.993 6.946 1.00 0.00 C ATOM 563 C ILE A 36 9.557 -3.617 7.507 1.00 0.00 C ATOM 564 O ILE A 36 8.365 -3.365 7.698 1.00 0.00 O ATOM 565 CB ILE A 36 10.176 -4.936 5.410 1.00 0.00 C ATOM 566 CG1 ILE A 36 8.940 -5.160 4.509 1.00 0.00 C ATOM 567 CG2 ILE A 36 11.243 -5.965 5.004 1.00 0.00 C ATOM 568 CD1 ILE A 36 7.817 -4.133 4.669 1.00 0.00 C ATOM 0 H ILE A 36 7.994 -5.521 7.412 1.00 0.00 H new ATOM 0 HA ILE A 36 10.901 -5.319 7.360 1.00 0.00 H new ATOM 0 HB ILE A 36 10.482 -3.904 5.239 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.265 -5.159 3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.536 -6.151 4.716 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.400 -5.921 3.926 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.179 -5.740 5.516 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.909 -6.965 5.281 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.998 -4.381 3.993 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.455 -4.146 5.697 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.196 -3.139 4.431 1.00 0.00 H new ATOM 580 N PRO A 37 10.517 -2.717 7.778 1.00 0.00 N ATOM 581 CA PRO A 37 10.206 -1.387 8.290 1.00 0.00 C ATOM 582 C PRO A 37 9.477 -0.532 7.230 1.00 0.00 C ATOM 583 O PRO A 37 9.419 -0.907 6.059 1.00 0.00 O ATOM 584 CB PRO A 37 11.565 -0.751 8.633 1.00 0.00 C ATOM 585 CG PRO A 37 12.564 -1.905 8.612 1.00 0.00 C ATOM 586 CD PRO A 37 11.952 -2.880 7.616 1.00 0.00 C ATOM 0 HA PRO A 37 9.544 -1.445 9.154 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.835 0.017 7.908 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.539 -0.270 9.611 1.00 0.00 H new ATOM 0 HG2 PRO A 37 13.553 -1.575 8.296 1.00 0.00 H new ATOM 0 HG3 PRO A 37 12.679 -2.356 9.598 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.264 -2.653 6.597 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.261 -3.905 7.824 1.00 0.00 H new ATOM 594 N PRO A 38 8.968 0.664 7.589 1.00 0.00 N ATOM 595 CA PRO A 38 8.298 1.561 6.650 1.00 0.00 C ATOM 596 C PRO A 38 9.244 2.073 5.549 1.00 0.00 C ATOM 597 O PRO A 38 8.775 2.647 4.565 1.00 0.00 O ATOM 598 CB PRO A 38 7.821 2.757 7.482 1.00 0.00 C ATOM 599 CG PRO A 38 7.859 2.280 8.927 1.00 0.00 C ATOM 600 CD PRO A 38 8.950 1.215 8.928 1.00 0.00 C ATOM 0 HA PRO A 38 7.488 1.030 6.150 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.469 3.621 7.336 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.814 3.060 7.194 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.094 3.095 9.612 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.899 1.869 9.238 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.917 1.647 9.186 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.740 0.441 9.666 1.00 0.00 H new ATOM 608 N ASP A 39 10.560 2.043 5.788 1.00 0.00 N ATOM 609 CA ASP A 39 11.583 2.470 4.835 1.00 0.00 C ATOM 610 C ASP A 39 11.893 1.305 3.891 1.00 0.00 C ATOM 611 O ASP A 39 11.517 0.170 4.177 1.00 0.00 O ATOM 612 CB ASP A 39 12.862 2.887 5.571 1.00 0.00 C ATOM 613 CG ASP A 39 13.874 3.466 4.585 1.00 0.00 C ATOM 614 OD1 ASP A 39 14.960 2.883 4.413 1.00 0.00 O ATOM 615 OD2 ASP A 39 13.546 4.483 3.928 1.00 0.00 O ATOM 0 H ASP A 39 10.949 1.713 6.671 1.00 0.00 H new ATOM 0 HA ASP A 39 11.214 3.326 4.270 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.625 3.626 6.336 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.293 2.026 6.082 1.00 0.00 H new ATOM 620 N GLN A 40 12.594 1.554 2.780 1.00 0.00 N ATOM 621 CA GLN A 40 12.946 0.524 1.803 1.00 0.00 C ATOM 622 C GLN A 40 11.682 -0.145 1.227 1.00 0.00 C ATOM 623 O GLN A 40 11.730 -1.281 0.750 1.00 0.00 O ATOM 624 CB GLN A 40 13.969 -0.449 2.429 1.00 0.00 C ATOM 625 CG GLN A 40 14.814 -1.240 1.415 1.00 0.00 C ATOM 626 CD GLN A 40 15.895 -2.047 2.131 1.00 0.00 C ATOM 627 OE1 GLN A 40 16.545 -1.552 3.048 1.00 0.00 O ATOM 628 NE2 GLN A 40 16.131 -3.295 1.762 1.00 0.00 N ATOM 0 H GLN A 40 12.935 2.483 2.534 1.00 0.00 H new ATOM 0 HA GLN A 40 13.438 0.969 0.938 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.639 0.118 3.075 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.435 -1.155 3.065 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.172 -1.909 0.842 1.00 0.00 H new ATOM 0 HG3 GLN A 40 15.275 -0.554 0.704 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.595 -3.712 1.001 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.849 -3.840 2.238 1.00 0.00 H new ATOM 637 N ASN A 41 10.536 0.543 1.266 1.00 0.00 N ATOM 638 CA ASN A 41 9.272 0.039 0.770 1.00 0.00 C ATOM 639 C ASN A 41 8.333 1.195 0.450 1.00 0.00 C ATOM 640 O ASN A 41 8.341 2.215 1.142 1.00 0.00 O ATOM 641 CB ASN A 41 8.631 -0.820 1.887 1.00 0.00 C ATOM 642 CG ASN A 41 8.359 -2.256 1.488 1.00 0.00 C ATOM 643 OD1 ASN A 41 7.235 -2.723 1.606 1.00 0.00 O ATOM 644 ND2 ASN A 41 9.366 -2.983 1.029 1.00 0.00 N ATOM 0 H ASN A 41 10.471 1.484 1.653 1.00 0.00 H new ATOM 0 HA ASN A 41 9.439 -0.546 -0.135 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.289 -0.815 2.756 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.693 -0.356 2.194 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.213 -3.956 0.764 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.294 -2.570 0.940 1.00 0.00 H new ATOM 651 N ARG A 42 7.502 1.030 -0.578 1.00 0.00 N ATOM 652 CA ARG A 42 6.509 1.985 -1.054 1.00 0.00 C ATOM 653 C ARG A 42 5.400 1.202 -1.763 1.00 0.00 C ATOM 654 O ARG A 42 5.598 0.047 -2.147 1.00 0.00 O ATOM 655 CB ARG A 42 7.124 2.974 -2.058 1.00 0.00 C ATOM 656 CG ARG A 42 8.308 3.829 -1.581 1.00 0.00 C ATOM 657 CD ARG A 42 8.700 4.731 -2.753 1.00 0.00 C ATOM 658 NE ARG A 42 9.830 5.620 -2.457 1.00 0.00 N ATOM 659 CZ ARG A 42 10.274 6.584 -3.269 1.00 0.00 C ATOM 660 NH1 ARG A 42 9.737 6.754 -4.471 1.00 0.00 N ATOM 661 NH2 ARG A 42 11.273 7.363 -2.879 1.00 0.00 N ATOM 0 H ARG A 42 7.506 0.174 -1.132 1.00 0.00 H new ATOM 0 HA ARG A 42 6.124 2.549 -0.204 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.449 2.408 -2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.335 3.649 -2.391 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.030 4.424 -0.711 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.145 3.198 -1.281 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.953 4.108 -3.611 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.839 5.335 -3.040 1.00 0.00 H new ATOM 0 HE ARG A 42 10.311 5.493 -1.567 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.979 6.146 -4.782 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.082 7.492 -5.084 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.699 7.225 -1.963 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.615 8.100 -3.495 1.00 0.00 H new ATOM 675 N LEU A 43 4.252 1.837 -2.007 1.00 0.00 N ATOM 676 CA LEU A 43 3.097 1.238 -2.676 1.00 0.00 C ATOM 677 C LEU A 43 2.791 1.989 -3.976 1.00 0.00 C ATOM 678 O LEU A 43 3.180 3.150 -4.158 1.00 0.00 O ATOM 679 CB LEU A 43 1.854 1.289 -1.756 1.00 0.00 C ATOM 680 CG LEU A 43 1.710 0.221 -0.651 1.00 0.00 C ATOM 681 CD1 LEU A 43 1.468 -1.171 -1.246 1.00 0.00 C ATOM 682 CD2 LEU A 43 2.857 0.201 0.364 1.00 0.00 C ATOM 0 H LEU A 43 4.097 2.808 -1.737 1.00 0.00 H new ATOM 0 HA LEU A 43 3.335 0.199 -2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.837 2.267 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.970 1.231 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 43 0.828 0.516 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.371 -1.899 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.552 -1.160 -1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.308 -1.445 -1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.675 -0.578 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.796 -0.001 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.918 1.168 0.863 1.00 0.00 H new ATOM 694 N ILE A 44 2.059 1.326 -4.870 1.00 0.00 N ATOM 695 CA ILE A 44 1.599 1.798 -6.173 1.00 0.00 C ATOM 696 C ILE A 44 0.153 1.296 -6.301 1.00 0.00 C ATOM 697 O ILE A 44 -0.124 0.190 -5.847 1.00 0.00 O ATOM 698 CB ILE A 44 2.439 1.207 -7.341 1.00 0.00 C ATOM 699 CG1 ILE A 44 3.967 1.399 -7.251 1.00 0.00 C ATOM 700 CG2 ILE A 44 1.941 1.705 -8.715 1.00 0.00 C ATOM 701 CD1 ILE A 44 4.487 2.776 -7.679 1.00 0.00 C ATOM 0 H ILE A 44 1.749 0.372 -4.687 1.00 0.00 H new ATOM 0 HA ILE A 44 1.690 2.882 -6.234 1.00 0.00 H new ATOM 0 HB ILE A 44 2.273 0.135 -7.236 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.278 1.216 -6.222 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.448 0.641 -7.869 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.554 1.269 -9.504 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.902 1.406 -8.856 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.015 2.792 -8.757 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.572 2.803 -7.577 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.216 2.960 -8.718 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.044 3.545 -7.046 1.00 0.00 H new ATOM 713 N PHE A 45 -0.738 2.054 -6.938 1.00 0.00 N ATOM 714 CA PHE A 45 -2.148 1.765 -7.207 1.00 0.00 C ATOM 715 C PHE A 45 -2.359 2.268 -8.632 1.00 0.00 C ATOM 716 O PHE A 45 -2.464 3.478 -8.860 1.00 0.00 O ATOM 717 CB PHE A 45 -3.070 2.519 -6.234 1.00 0.00 C ATOM 718 CG PHE A 45 -4.487 2.684 -6.751 1.00 0.00 C ATOM 719 CD1 PHE A 45 -4.982 3.967 -7.050 1.00 0.00 C ATOM 720 CD2 PHE A 45 -5.280 1.553 -7.014 1.00 0.00 C ATOM 721 CE1 PHE A 45 -6.265 4.120 -7.603 1.00 0.00 C ATOM 722 CE2 PHE A 45 -6.549 1.707 -7.599 1.00 0.00 C ATOM 723 CZ PHE A 45 -7.047 2.988 -7.892 1.00 0.00 C ATOM 0 H PHE A 45 -0.470 2.964 -7.312 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.382 0.707 -7.085 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.098 1.985 -5.284 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.647 3.504 -6.034 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.374 4.837 -6.854 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.915 0.567 -6.767 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.651 5.108 -7.806 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.145 0.835 -7.825 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.025 3.102 -8.337 1.00 0.00 H new ATOM 733 N ALA A 46 -2.446 1.345 -9.587 1.00 0.00 N ATOM 734 CA ALA A 46 -2.646 1.607 -11.003 1.00 0.00 C ATOM 735 C ALA A 46 -1.697 2.709 -11.468 1.00 0.00 C ATOM 736 O ALA A 46 -2.121 3.798 -11.855 1.00 0.00 O ATOM 737 CB ALA A 46 -4.129 1.879 -11.287 1.00 0.00 C ATOM 0 H ALA A 46 -2.375 0.349 -9.381 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.392 0.728 -11.595 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.266 2.074 -12.351 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.720 1.010 -10.998 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.456 2.747 -10.714 1.00 0.00 H new ATOM 743 N GLY A 47 -0.401 2.447 -11.322 1.00 0.00 N ATOM 744 CA GLY A 47 0.667 3.346 -11.707 1.00 0.00 C ATOM 745 C GLY A 47 0.838 4.595 -10.838 1.00 0.00 C ATOM 746 O GLY A 47 1.804 5.331 -11.059 1.00 0.00 O ATOM 0 H GLY A 47 -0.061 1.574 -10.919 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.604 2.790 -11.698 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.495 3.664 -12.735 1.00 0.00 H new ATOM 750 N LYS A 48 -0.042 4.884 -9.871 1.00 0.00 N ATOM 751 CA LYS A 48 0.108 6.062 -9.025 1.00 0.00 C ATOM 752 C LYS A 48 0.871 5.650 -7.784 1.00 0.00 C ATOM 753 O LYS A 48 0.500 4.668 -7.144 1.00 0.00 O ATOM 754 CB LYS A 48 -1.261 6.650 -8.658 1.00 0.00 C ATOM 755 CG LYS A 48 -1.104 7.897 -7.766 1.00 0.00 C ATOM 756 CD LYS A 48 -2.281 8.863 -7.913 1.00 0.00 C ATOM 757 CE LYS A 48 -2.144 9.629 -9.235 1.00 0.00 C ATOM 758 NZ LYS A 48 -3.409 10.280 -9.619 1.00 0.00 N ATOM 0 H LYS A 48 -0.862 4.316 -9.660 1.00 0.00 H new ATOM 0 HA LYS A 48 0.655 6.839 -9.559 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.803 6.914 -9.566 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.856 5.899 -8.138 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.017 7.588 -6.724 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.179 8.412 -8.024 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.222 8.314 -7.893 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.301 9.560 -7.075 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.361 10.381 -9.141 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.833 8.943 -10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.279 10.788 -10.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.150 9.559 -9.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.692 10.953 -8.878 1.00 0.00 H new ATOM 772 N GLN A 49 1.924 6.386 -7.453 1.00 0.00 N ATOM 773 CA GLN A 49 2.746 6.142 -6.284 1.00 0.00 C ATOM 774 C GLN A 49 1.948 6.725 -5.127 1.00 0.00 C ATOM 775 O GLN A 49 1.298 7.772 -5.270 1.00 0.00 O ATOM 776 CB GLN A 49 4.115 6.852 -6.358 1.00 0.00 C ATOM 777 CG GLN A 49 5.038 6.494 -7.537 1.00 0.00 C ATOM 778 CD GLN A 49 4.469 6.758 -8.933 1.00 0.00 C ATOM 779 OE1 GLN A 49 3.770 7.862 -9.157 1.00 0.00 O flip ATOM 780 NE2 GLN A 49 4.664 5.957 -9.842 1.00 0.00 N flip ATOM 0 H GLN A 49 2.234 7.186 -8.005 1.00 0.00 H new ATOM 0 HA GLN A 49 2.961 5.078 -6.185 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.936 7.927 -6.386 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.653 6.642 -5.434 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.966 7.056 -7.431 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.296 5.437 -7.464 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.202 5.108 -9.667 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.288 6.140 -10.772 1.00 0.00 H new ATOM 789 N LEU A 50 2.002 6.046 -3.990 1.00 0.00 N ATOM 790 CA LEU A 50 1.295 6.439 -2.788 1.00 0.00 C ATOM 791 C LEU A 50 2.331 6.702 -1.710 1.00 0.00 C ATOM 792 O LEU A 50 3.407 6.096 -1.708 1.00 0.00 O ATOM 793 CB LEU A 50 0.324 5.318 -2.371 1.00 0.00 C ATOM 794 CG LEU A 50 -0.601 4.816 -3.502 1.00 0.00 C ATOM 795 CD1 LEU A 50 -1.415 3.623 -3.015 1.00 0.00 C ATOM 796 CD2 LEU A 50 -1.561 5.896 -4.010 1.00 0.00 C ATOM 0 H LEU A 50 2.549 5.192 -3.879 1.00 0.00 H new ATOM 0 HA LEU A 50 0.705 7.341 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.903 4.476 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.293 5.677 -1.547 1.00 0.00 H new ATOM 0 HG LEU A 50 0.046 4.531 -4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.065 3.274 -3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.741 2.819 -2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.022 3.921 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.185 5.484 -4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.194 6.235 -3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.988 6.738 -4.399 1.00 0.00 H new ATOM 808 N GLU A 51 2.025 7.620 -0.808 1.00 0.00 N ATOM 809 CA GLU A 51 2.856 8.008 0.315 1.00 0.00 C ATOM 810 C GLU A 51 1.911 8.459 1.430 1.00 0.00 C ATOM 811 O GLU A 51 0.710 8.640 1.189 1.00 0.00 O ATOM 812 CB GLU A 51 3.883 9.078 -0.091 1.00 0.00 C ATOM 813 CG GLU A 51 3.317 10.501 -0.204 1.00 0.00 C ATOM 814 CD GLU A 51 3.914 11.351 -1.329 1.00 0.00 C ATOM 815 OE1 GLU A 51 5.088 11.178 -1.729 1.00 0.00 O ATOM 816 OE2 GLU A 51 3.147 12.173 -1.889 1.00 0.00 O ATOM 0 H GLU A 51 1.147 8.139 -0.843 1.00 0.00 H new ATOM 0 HA GLU A 51 3.460 7.174 0.672 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.692 9.081 0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.319 8.798 -1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.239 10.436 -0.352 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.478 11.015 0.743 1.00 0.00 H new ATOM 823 N ASP A 52 2.432 8.543 2.651 1.00 0.00 N ATOM 824 CA ASP A 52 1.675 8.965 3.824 1.00 0.00 C ATOM 825 C ASP A 52 1.355 10.459 3.742 1.00 0.00 C ATOM 826 O ASP A 52 1.918 11.188 2.927 1.00 0.00 O ATOM 827 CB ASP A 52 2.396 8.572 5.123 1.00 0.00 C ATOM 828 CG ASP A 52 3.779 9.202 5.252 1.00 0.00 C ATOM 829 OD1 ASP A 52 4.042 9.947 6.225 1.00 0.00 O ATOM 830 OD2 ASP A 52 4.656 8.900 4.406 1.00 0.00 O ATOM 0 H ASP A 52 3.405 8.317 2.855 1.00 0.00 H new ATOM 0 HA ASP A 52 0.721 8.437 3.839 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.786 8.871 5.975 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.492 7.487 5.165 1.00 0.00 H new ATOM 835 N GLY A 53 0.442 10.914 4.596 1.00 0.00 N ATOM 836 CA GLY A 53 -0.055 12.284 4.681 1.00 0.00 C ATOM 837 C GLY A 53 -1.447 12.393 4.041 1.00 0.00 C ATOM 838 O GLY A 53 -2.017 13.486 3.956 1.00 0.00 O ATOM 0 H GLY A 53 0.005 10.302 5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.103 12.595 5.724 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.637 12.960 4.178 1.00 0.00 H new ATOM 842 N ARG A 54 -2.014 11.275 3.571 1.00 0.00 N ATOM 843 CA ARG A 54 -3.313 11.162 2.930 1.00 0.00 C ATOM 844 C ARG A 54 -4.084 9.947 3.435 1.00 0.00 C ATOM 845 O ARG A 54 -3.598 9.200 4.294 1.00 0.00 O ATOM 846 CB ARG A 54 -3.109 11.044 1.423 1.00 0.00 C ATOM 847 CG ARG A 54 -2.141 12.082 0.851 1.00 0.00 C ATOM 848 CD ARG A 54 -2.613 12.418 -0.544 1.00 0.00 C ATOM 849 NE ARG A 54 -1.586 13.110 -1.336 1.00 0.00 N ATOM 850 CZ ARG A 54 -1.783 13.605 -2.561 1.00 0.00 C ATOM 851 NH1 ARG A 54 -3.013 13.673 -3.062 1.00 0.00 N ATOM 852 NH2 ARG A 54 -0.759 14.011 -3.302 1.00 0.00 N ATOM 0 H ARG A 54 -1.541 10.373 3.636 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.896 12.051 3.171 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.736 10.046 1.193 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.073 11.146 0.925 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.123 12.975 1.476 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.125 11.688 0.828 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.905 11.501 -1.056 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.502 13.045 -0.482 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.660 13.220 -0.922 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.807 13.347 -2.511 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.162 14.051 -3.997 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.191 13.947 -2.937 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.923 14.387 -4.236 1.00 0.00 H new ATOM 866 N THR A 55 -5.261 9.748 2.864 1.00 0.00 N ATOM 867 CA THR A 55 -6.187 8.661 3.137 1.00 0.00 C ATOM 868 C THR A 55 -6.348 7.828 1.867 1.00 0.00 C ATOM 869 O THR A 55 -5.764 8.130 0.820 1.00 0.00 O ATOM 870 CB THR A 55 -7.560 9.237 3.520 1.00 0.00 C ATOM 871 OG1 THR A 55 -8.053 9.914 2.381 1.00 0.00 O ATOM 872 CG2 THR A 55 -7.540 10.175 4.722 1.00 0.00 C ATOM 0 H THR A 55 -5.618 10.383 2.151 1.00 0.00 H new ATOM 0 HA THR A 55 -5.804 8.049 3.954 1.00 0.00 H new ATOM 0 HB THR A 55 -8.201 8.410 3.826 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.932 10.297 2.583 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.550 10.534 4.921 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.167 9.640 5.595 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.889 11.023 4.511 1.00 0.00 H new ATOM 880 N LEU A 56 -7.171 6.785 1.948 1.00 0.00 N ATOM 881 CA LEU A 56 -7.447 5.942 0.801 1.00 0.00 C ATOM 882 C LEU A 56 -8.380 6.681 -0.171 1.00 0.00 C ATOM 883 O LEU A 56 -8.292 6.484 -1.386 1.00 0.00 O ATOM 884 CB LEU A 56 -8.112 4.650 1.282 1.00 0.00 C ATOM 885 CG LEU A 56 -7.636 3.452 0.445 1.00 0.00 C ATOM 886 CD1 LEU A 56 -6.843 2.478 1.310 1.00 0.00 C ATOM 887 CD2 LEU A 56 -8.820 2.757 -0.209 1.00 0.00 C ATOM 0 H LEU A 56 -7.657 6.508 2.801 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.517 5.704 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.876 4.483 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.196 4.744 1.209 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.979 3.818 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.514 1.636 0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.974 2.986 1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.474 2.115 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.465 1.911 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.504 2.401 0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.340 3.460 -0.860 1.00 0.00 H new ATOM 899 N SER A 57 -9.283 7.519 0.359 1.00 0.00 N ATOM 900 CA SER A 57 -10.235 8.277 -0.441 1.00 0.00 C ATOM 901 C SER A 57 -9.528 9.394 -1.204 1.00 0.00 C ATOM 902 O SER A 57 -9.869 9.634 -2.361 1.00 0.00 O ATOM 903 CB SER A 57 -11.335 8.847 0.458 1.00 0.00 C ATOM 904 OG SER A 57 -12.450 9.283 -0.294 1.00 0.00 O ATOM 0 H SER A 57 -9.368 7.685 1.362 1.00 0.00 H new ATOM 0 HA SER A 57 -10.691 7.608 -1.171 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.652 8.087 1.172 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.937 9.681 1.036 1.00 0.00 H new ATOM 0 HG SER A 57 -13.134 9.639 0.311 1.00 0.00 H new ATOM 910 N ASP A 58 -8.522 10.046 -0.608 1.00 0.00 N ATOM 911 CA ASP A 58 -7.781 11.129 -1.261 1.00 0.00 C ATOM 912 C ASP A 58 -7.205 10.616 -2.582 1.00 0.00 C ATOM 913 O ASP A 58 -7.271 11.293 -3.612 1.00 0.00 O ATOM 914 CB ASP A 58 -6.615 11.627 -0.392 1.00 0.00 C ATOM 915 CG ASP A 58 -6.977 12.461 0.842 1.00 0.00 C ATOM 916 OD1 ASP A 58 -6.073 12.644 1.688 1.00 0.00 O ATOM 917 OD2 ASP A 58 -8.125 12.958 0.973 1.00 0.00 O ATOM 0 H ASP A 58 -8.201 9.838 0.337 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.474 11.955 -1.423 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.045 10.759 -0.060 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.953 12.222 -1.021 1.00 0.00 H new ATOM 922 N TYR A 59 -6.664 9.393 -2.577 1.00 0.00 N ATOM 923 CA TYR A 59 -6.080 8.789 -3.765 1.00 0.00 C ATOM 924 C TYR A 59 -7.132 8.147 -4.684 1.00 0.00 C ATOM 925 O TYR A 59 -6.765 7.644 -5.750 1.00 0.00 O ATOM 926 CB TYR A 59 -5.012 7.780 -3.337 1.00 0.00 C ATOM 927 CG TYR A 59 -3.732 8.407 -2.815 1.00 0.00 C ATOM 928 CD1 TYR A 59 -2.928 9.198 -3.660 1.00 0.00 C ATOM 929 CD2 TYR A 59 -3.311 8.150 -1.499 1.00 0.00 C ATOM 930 CE1 TYR A 59 -1.706 9.718 -3.195 1.00 0.00 C ATOM 931 CE2 TYR A 59 -2.081 8.648 -1.040 1.00 0.00 C ATOM 932 CZ TYR A 59 -1.270 9.430 -1.883 1.00 0.00 C ATOM 933 OH TYR A 59 -0.078 9.903 -1.427 1.00 0.00 O ATOM 0 H TYR A 59 -6.622 8.800 -1.748 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.618 9.578 -4.359 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.428 7.135 -2.563 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.770 7.143 -4.187 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.251 9.406 -4.669 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.936 7.567 -0.838 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.102 10.337 -3.841 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.755 8.429 -0.034 1.00 0.00 H new ATOM 0 HH TYR A 59 0.037 9.648 -0.488 1.00 0.00 H new ATOM 943 N ASN A 60 -8.420 8.202 -4.323 1.00 0.00 N ATOM 944 CA ASN A 60 -9.564 7.646 -5.047 1.00 0.00 C ATOM 945 C ASN A 60 -9.243 6.213 -5.485 1.00 0.00 C ATOM 946 O ASN A 60 -9.096 5.889 -6.669 1.00 0.00 O ATOM 947 CB ASN A 60 -10.010 8.579 -6.181 1.00 0.00 C ATOM 948 CG ASN A 60 -11.129 7.956 -6.976 1.00 0.00 C ATOM 949 OD1 ASN A 60 -12.172 7.554 -6.469 1.00 0.00 O ATOM 950 ND2 ASN A 60 -10.863 7.740 -8.240 1.00 0.00 N ATOM 0 H ASN A 60 -8.707 8.667 -3.461 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.432 7.581 -4.390 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.339 9.532 -5.766 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.166 8.791 -6.837 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.528 7.230 -8.821 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.991 8.082 -8.643 1.00 0.00 H new ATOM 957 N ILE A 61 -9.122 5.354 -4.479 1.00 0.00 N ATOM 958 CA ILE A 61 -8.799 3.939 -4.575 1.00 0.00 C ATOM 959 C ILE A 61 -10.089 3.143 -4.357 1.00 0.00 C ATOM 960 O ILE A 61 -10.641 3.114 -3.255 1.00 0.00 O ATOM 961 CB ILE A 61 -7.675 3.597 -3.564 1.00 0.00 C ATOM 962 CG1 ILE A 61 -6.435 4.485 -3.800 1.00 0.00 C ATOM 963 CG2 ILE A 61 -7.315 2.104 -3.632 1.00 0.00 C ATOM 964 CD1 ILE A 61 -5.202 4.158 -2.949 1.00 0.00 C ATOM 0 H ILE A 61 -9.256 5.649 -3.512 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.411 3.673 -5.559 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.044 3.804 -2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.156 4.413 -4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.715 5.522 -3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.524 1.887 -2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.195 1.506 -3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.970 1.858 -4.636 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.394 4.845 -3.200 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.451 4.261 -1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.883 3.135 -3.148 1.00 0.00 H new ATOM 976 N GLN A 62 -10.588 2.514 -5.423 1.00 0.00 N ATOM 977 CA GLN A 62 -11.806 1.706 -5.393 1.00 0.00 C ATOM 978 C GLN A 62 -11.527 0.418 -4.616 1.00 0.00 C ATOM 979 O GLN A 62 -10.363 0.085 -4.343 1.00 0.00 O ATOM 980 CB GLN A 62 -12.285 1.372 -6.821 1.00 0.00 C ATOM 981 CG GLN A 62 -12.869 2.572 -7.584 1.00 0.00 C ATOM 982 CD GLN A 62 -11.801 3.589 -7.963 1.00 0.00 C ATOM 983 OE1 GLN A 62 -11.111 3.457 -8.968 1.00 0.00 O ATOM 984 NE2 GLN A 62 -11.612 4.626 -7.170 1.00 0.00 N ATOM 0 H GLN A 62 -10.150 2.553 -6.344 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.597 2.273 -4.902 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.447 0.967 -7.388 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.040 0.588 -6.765 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.368 2.218 -8.486 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.628 3.057 -6.969 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.184 4.739 -6.333 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.894 5.315 -7.394 1.00 0.00 H new ATOM 993 N LYS A 63 -12.583 -0.290 -4.211 1.00 0.00 N ATOM 994 CA LYS A 63 -12.420 -1.540 -3.479 1.00 0.00 C ATOM 995 C LYS A 63 -11.885 -2.597 -4.444 1.00 0.00 C ATOM 996 O LYS A 63 -12.063 -2.469 -5.658 1.00 0.00 O ATOM 997 CB LYS A 63 -13.707 -1.904 -2.710 1.00 0.00 C ATOM 998 CG LYS A 63 -14.865 -2.274 -3.656 1.00 0.00 C ATOM 999 CD LYS A 63 -16.150 -2.689 -2.930 1.00 0.00 C ATOM 1000 CE LYS A 63 -17.326 -2.630 -3.914 1.00 0.00 C ATOM 1001 NZ LYS A 63 -18.607 -3.041 -3.303 1.00 0.00 N ATOM 0 H LYS A 63 -13.552 -0.019 -4.378 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.677 -1.452 -2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.504 -2.741 -2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.005 -1.062 -2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.082 -1.422 -4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.545 -3.090 -4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.046 -3.697 -2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.334 -2.027 -2.084 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.422 -1.614 -4.298 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.113 -3.274 -4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.365 -2.982 -4.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.530 -4.020 -2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.829 -2.411 -2.506 1.00 0.00 H new ATOM 1015 N GLU A 64 -11.255 -3.644 -3.915 1.00 0.00 N ATOM 1016 CA GLU A 64 -10.654 -4.733 -4.679 1.00 0.00 C ATOM 1017 C GLU A 64 -9.604 -4.228 -5.686 1.00 0.00 C ATOM 1018 O GLU A 64 -9.501 -4.724 -6.813 1.00 0.00 O ATOM 1019 CB GLU A 64 -11.719 -5.626 -5.326 1.00 0.00 C ATOM 1020 CG GLU A 64 -12.553 -6.448 -4.343 1.00 0.00 C ATOM 1021 CD GLU A 64 -13.399 -7.492 -5.082 1.00 0.00 C ATOM 1022 OE1 GLU A 64 -14.017 -8.344 -4.402 1.00 0.00 O ATOM 1023 OE2 GLU A 64 -13.422 -7.510 -6.335 1.00 0.00 O ATOM 0 H GLU A 64 -11.146 -3.761 -2.908 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.111 -5.361 -3.973 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.390 -4.999 -5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.228 -6.307 -6.021 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.896 -6.945 -3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.203 -5.787 -3.770 1.00 0.00 H new ATOM 1030 N SER A 65 -8.884 -3.161 -5.332 1.00 0.00 N ATOM 1031 CA SER A 65 -7.820 -2.603 -6.162 1.00 0.00 C ATOM 1032 C SER A 65 -6.629 -3.579 -6.096 1.00 0.00 C ATOM 1033 O SER A 65 -6.673 -4.534 -5.315 1.00 0.00 O ATOM 1034 CB SER A 65 -7.494 -1.175 -5.704 1.00 0.00 C ATOM 1035 OG SER A 65 -7.870 -0.933 -4.364 1.00 0.00 O ATOM 0 H SER A 65 -9.026 -2.659 -4.456 1.00 0.00 H new ATOM 0 HA SER A 65 -8.115 -2.505 -7.207 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.424 -0.998 -5.815 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.004 -0.464 -6.354 1.00 0.00 H new ATOM 0 HG SER A 65 -8.711 -0.431 -4.346 1.00 0.00 H new ATOM 1041 N THR A 66 -5.567 -3.377 -6.882 1.00 0.00 N ATOM 1042 CA THR A 66 -4.432 -4.297 -6.873 1.00 0.00 C ATOM 1043 C THR A 66 -3.212 -3.418 -6.830 1.00 0.00 C ATOM 1044 O THR A 66 -2.803 -2.850 -7.847 1.00 0.00 O ATOM 1045 CB THR A 66 -4.465 -5.271 -8.069 1.00 0.00 C ATOM 1046 OG1 THR A 66 -5.686 -5.983 -8.085 1.00 0.00 O ATOM 1047 CG2 THR A 66 -3.316 -6.285 -7.992 1.00 0.00 C ATOM 0 H THR A 66 -5.472 -2.592 -7.526 1.00 0.00 H new ATOM 0 HA THR A 66 -4.447 -4.964 -6.011 1.00 0.00 H new ATOM 0 HB THR A 66 -4.361 -4.676 -8.977 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.697 -6.597 -8.849 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.366 -6.957 -8.848 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.363 -5.756 -8.001 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.402 -6.863 -7.072 1.00 0.00 H new ATOM 1055 N LEU A 67 -2.703 -3.227 -5.621 1.00 0.00 N ATOM 1056 CA LEU A 67 -1.547 -2.402 -5.370 1.00 0.00 C ATOM 1057 C LEU A 67 -0.282 -3.226 -5.571 1.00 0.00 C ATOM 1058 O LEU A 67 -0.301 -4.449 -5.405 1.00 0.00 O ATOM 1059 CB LEU A 67 -1.615 -1.831 -3.942 1.00 0.00 C ATOM 1060 CG LEU A 67 -2.650 -0.699 -3.776 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -4.110 -1.174 -3.793 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -2.404 0.056 -2.468 1.00 0.00 C ATOM 0 H LEU A 67 -3.093 -3.651 -4.779 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.530 -1.566 -6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.857 -2.637 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.631 -1.455 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.510 -0.052 -4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.773 -0.317 -3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.322 -1.664 -4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.273 -1.878 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.141 0.852 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.492 -0.633 -1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.403 0.488 -2.480 1.00 0.00 H new ATOM 1074 N HIS A 68 0.836 -2.570 -5.875 1.00 0.00 N ATOM 1075 CA HIS A 68 2.139 -3.199 -6.088 1.00 0.00 C ATOM 1076 C HIS A 68 3.147 -2.660 -5.076 1.00 0.00 C ATOM 1077 O HIS A 68 3.313 -1.441 -4.962 1.00 0.00 O ATOM 1078 CB HIS A 68 2.635 -2.958 -7.528 1.00 0.00 C ATOM 1079 CG HIS A 68 2.277 -4.040 -8.521 1.00 0.00 C ATOM 1080 ND1 HIS A 68 2.973 -4.314 -9.683 1.00 0.00 N ATOM 1081 CD2 HIS A 68 1.213 -4.899 -8.455 1.00 0.00 C ATOM 1082 CE1 HIS A 68 2.361 -5.364 -10.266 1.00 0.00 C ATOM 1083 NE2 HIS A 68 1.286 -5.743 -9.560 1.00 0.00 N ATOM 0 H HIS A 68 0.862 -1.556 -5.983 1.00 0.00 H new ATOM 0 HA HIS A 68 2.035 -4.274 -5.945 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.226 -2.012 -7.883 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.719 -2.849 -7.508 1.00 0.00 H new ATOM 0 HD1 HIS A 68 3.792 -3.817 -10.032 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.455 -4.918 -7.686 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.692 -5.836 -11.179 1.00 0.00 H new ATOM 1090 N LEU A 69 3.759 -3.563 -4.301 1.00 0.00 N ATOM 1091 CA LEU A 69 4.782 -3.219 -3.322 1.00 0.00 C ATOM 1092 C LEU A 69 6.044 -3.074 -4.152 1.00 0.00 C ATOM 1093 O LEU A 69 6.330 -3.938 -4.989 1.00 0.00 O ATOM 1094 CB LEU A 69 5.015 -4.329 -2.278 1.00 0.00 C ATOM 1095 CG LEU A 69 4.031 -4.347 -1.098 1.00 0.00 C ATOM 1096 CD1 LEU A 69 4.247 -5.600 -0.245 1.00 0.00 C ATOM 1097 CD2 LEU A 69 4.202 -3.134 -0.184 1.00 0.00 C ATOM 0 H LEU A 69 3.552 -4.561 -4.341 1.00 0.00 H new ATOM 0 HA LEU A 69 4.492 -2.330 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.967 -5.294 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.026 -4.226 -1.884 1.00 0.00 H new ATOM 0 HG LEU A 69 3.031 -4.332 -1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.543 -5.599 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.086 -6.488 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.266 -5.606 0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.485 -3.191 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.214 -3.123 0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.029 -2.221 -0.754 1.00 0.00 H new ATOM 1109 N VAL A 70 6.762 -1.977 -3.966 1.00 0.00 N ATOM 1110 CA VAL A 70 7.991 -1.695 -4.679 1.00 0.00 C ATOM 1111 C VAL A 70 8.948 -1.000 -3.719 1.00 0.00 C ATOM 1112 O VAL A 70 8.518 -0.306 -2.798 1.00 0.00 O ATOM 1113 CB VAL A 70 7.698 -0.821 -5.922 1.00 0.00 C ATOM 1114 CG1 VAL A 70 6.832 -1.543 -6.966 1.00 0.00 C ATOM 1115 CG2 VAL A 70 6.997 0.506 -5.587 1.00 0.00 C ATOM 0 H VAL A 70 6.500 -1.247 -3.303 1.00 0.00 H new ATOM 0 HA VAL A 70 8.448 -2.618 -5.035 1.00 0.00 H new ATOM 0 HB VAL A 70 8.688 -0.616 -6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.659 -0.882 -7.815 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.345 -2.443 -7.305 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.876 -1.817 -6.519 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.823 1.067 -6.505 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.043 0.301 -5.100 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.627 1.092 -4.918 1.00 0.00 H new ATOM 1125 N LEU A 71 10.250 -1.148 -3.944 1.00 0.00 N ATOM 1126 CA LEU A 71 11.270 -0.512 -3.127 1.00 0.00 C ATOM 1127 C LEU A 71 11.987 0.488 -4.015 1.00 0.00 C ATOM 1128 O LEU A 71 12.315 0.197 -5.175 1.00 0.00 O ATOM 1129 CB LEU A 71 12.190 -1.528 -2.426 1.00 0.00 C ATOM 1130 CG LEU A 71 13.269 -2.246 -3.263 1.00 0.00 C ATOM 1131 CD1 LEU A 71 14.580 -1.454 -3.422 1.00 0.00 C ATOM 1132 CD2 LEU A 71 13.642 -3.543 -2.541 1.00 0.00 C ATOM 0 H LEU A 71 10.626 -1.716 -4.703 1.00 0.00 H new ATOM 0 HA LEU A 71 10.823 0.020 -2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.694 -1.010 -1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.557 -2.293 -1.976 1.00 0.00 H new ATOM 0 HG LEU A 71 12.839 -2.390 -4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.283 -2.031 -4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.374 -0.504 -3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.013 -1.266 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.405 -4.071 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.029 -3.309 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.758 -4.174 -2.446 1.00 0.00 H new ATOM 1144 N ARG A 72 12.162 1.700 -3.497 1.00 0.00 N ATOM 1145 CA ARG A 72 12.860 2.773 -4.191 1.00 0.00 C ATOM 1146 C ARG A 72 13.525 3.669 -3.170 1.00 0.00 C ATOM 1147 O ARG A 72 12.858 4.189 -2.272 1.00 0.00 O ATOM 1148 CB ARG A 72 11.947 3.547 -5.142 1.00 0.00 C ATOM 1149 CG ARG A 72 12.808 4.164 -6.255 1.00 0.00 C ATOM 1150 CD ARG A 72 13.149 5.646 -6.097 1.00 0.00 C ATOM 1151 NE ARG A 72 13.790 6.115 -7.336 1.00 0.00 N ATOM 1152 CZ ARG A 72 14.555 7.199 -7.503 1.00 0.00 C ATOM 1153 NH1 ARG A 72 14.954 7.939 -6.472 1.00 0.00 N ATOM 1154 NH2 ARG A 72 14.916 7.533 -8.736 1.00 0.00 N ATOM 0 H ARG A 72 11.819 1.966 -2.574 1.00 0.00 H new ATOM 0 HA ARG A 72 13.628 2.337 -4.830 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.196 2.883 -5.569 1.00 0.00 H new ATOM 0 HB3 ARG A 72 11.412 4.328 -4.601 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.740 3.602 -6.319 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.289 4.030 -7.204 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.246 6.223 -5.897 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.816 5.792 -5.247 1.00 0.00 H new ATOM 0 HE ARG A 72 13.632 5.545 -8.167 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.677 7.685 -5.524 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.537 8.761 -6.630 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.610 6.967 -9.528 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.499 8.355 -8.892 1.00 0.00 H new ATOM 1168 N LEU A 73 14.827 3.868 -3.316 1.00 0.00 N ATOM 1169 CA LEU A 73 15.619 4.661 -2.392 1.00 0.00 C ATOM 1170 C LEU A 73 16.349 5.818 -3.053 1.00 0.00 C ATOM 1171 O LEU A 73 16.281 5.999 -4.273 1.00 0.00 O ATOM 1172 CB LEU A 73 16.593 3.686 -1.702 1.00 0.00 C ATOM 1173 CG LEU A 73 16.199 3.439 -0.240 1.00 0.00 C ATOM 1174 CD1 LEU A 73 16.914 2.181 0.258 1.00 0.00 C ATOM 1175 CD2 LEU A 73 16.517 4.659 0.625 1.00 0.00 C ATOM 0 H LEU A 73 15.367 3.478 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 73 14.962 5.144 -1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.605 2.739 -2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.605 4.090 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 73 15.123 3.281 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 73 16.642 1.995 1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 73 16.618 1.328 -0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.992 2.323 0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 73 16.228 4.459 1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 73 17.586 4.867 0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 73 15.964 5.522 0.255 1.00 0.00 H new ATOM 1187 N ARG A 74 17.005 6.609 -2.200 1.00 0.00 N ATOM 1188 CA ARG A 74 17.804 7.775 -2.550 1.00 0.00 C ATOM 1189 C ARG A 74 19.056 7.317 -3.304 1.00 0.00 C ATOM 1190 O ARG A 74 19.357 6.125 -3.347 1.00 0.00 O ATOM 1191 CB ARG A 74 18.116 8.581 -1.271 1.00 0.00 C ATOM 1192 CG ARG A 74 19.153 7.904 -0.359 1.00 0.00 C ATOM 1193 CD ARG A 74 19.270 8.583 1.008 1.00 0.00 C ATOM 1194 NE ARG A 74 20.517 8.178 1.670 1.00 0.00 N ATOM 1195 CZ ARG A 74 21.180 8.852 2.614 1.00 0.00 C ATOM 1196 NH1 ARG A 74 20.624 9.873 3.258 1.00 0.00 N ATOM 1197 NH2 ARG A 74 22.422 8.486 2.890 1.00 0.00 N ATOM 0 H ARG A 74 16.989 6.440 -1.194 1.00 0.00 H new ATOM 0 HA ARG A 74 17.259 8.443 -3.217 1.00 0.00 H new ATOM 0 HB2 ARG A 74 18.481 9.569 -1.553 1.00 0.00 H new ATOM 0 HB3 ARG A 74 17.193 8.730 -0.711 1.00 0.00 H new ATOM 0 HG2 ARG A 74 18.880 6.858 -0.218 1.00 0.00 H new ATOM 0 HG3 ARG A 74 20.126 7.916 -0.850 1.00 0.00 H new ATOM 0 HD2 ARG A 74 19.249 9.666 0.887 1.00 0.00 H new ATOM 0 HD3 ARG A 74 18.416 8.315 1.630 1.00 0.00 H new ATOM 0 HE ARG A 74 20.920 7.287 1.378 1.00 0.00 H new ATOM 0 HH11 ARG A 74 19.670 10.158 3.035 1.00 0.00 H new ATOM 0 HH12 ARG A 74 21.151 10.372 3.975 1.00 0.00 H new ATOM 0 HH21 ARG A 74 22.848 7.708 2.387 1.00 0.00 H new ATOM 0 HH22 ARG A 74 22.953 8.982 3.606 1.00 0.00 H new ATOM 1211 N GLY A 75 19.829 8.253 -3.843 1.00 0.00 N ATOM 1212 CA GLY A 75 21.033 7.981 -4.616 1.00 0.00 C ATOM 1213 C GLY A 75 22.239 7.454 -3.847 1.00 0.00 C ATOM 1214 O GLY A 75 23.258 7.192 -4.488 1.00 0.00 O ATOM 0 H GLY A 75 19.629 9.249 -3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.782 7.258 -5.392 1.00 0.00 H new ATOM 0 HA3 GLY A 75 21.328 8.901 -5.121 1.00 0.00 H new ATOM 1218 N GLY A 76 22.173 7.328 -2.523 1.00 0.00 N ATOM 1219 CA GLY A 76 23.253 6.836 -1.686 1.00 0.00 C ATOM 1220 C GLY A 76 22.678 6.456 -0.345 1.00 0.00 C ATOM 1221 O GLY A 76 21.665 5.725 -0.315 1.00 0.00 O ATOM 0 H GLY A 76 21.338 7.575 -1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 76 23.732 5.975 -2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 76 24.020 7.601 -1.567 1.00 0.00 H new TER 1225 GLY A 76