USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 889 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 5 THR OG1 : rot 180:sc= 0.072 USER MOD Set 1.2: A 6 GLN : amide:sc= -0.868 K(o=-0.8,f=-2.6!) USER MOD Single : A 1 MET CE :methyl 167:sc= -0.024 (180deg=-0.289) USER MOD Single : A 1 MET N :NH3+ -157:sc= 1.13 (180deg=0.541) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 167:sc= -0.0285 (180deg=-0.272) USER MOD Single : A 19 MET CE :methyl -168:sc= -0.116 (180deg=-0.22) USER MOD Single : A 29 LYS NZ :NH3+ -147:sc= 0.497 (180deg=-0.199) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.285 X(o=-0.28,f=-0.28) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 38:sc= 0.443 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0323 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.36 K(o=-0.36,f=-4.2!) USER MOD Single : A 102 LYS NZ :NH3+ 176:sc= 1.23 (180deg=1.02) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.195 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 162:sc= 1.2 (180deg=0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.309 5.919 1.136 1.00 0.00 N ATOM 2 CA MET A 1 4.525 4.877 0.441 1.00 0.00 C ATOM 3 C MET A 1 5.447 3.777 -0.073 1.00 0.00 C ATOM 4 O MET A 1 6.665 3.940 -0.095 1.00 0.00 O ATOM 5 CB MET A 1 3.717 5.472 -0.718 1.00 0.00 C ATOM 6 CG MET A 1 2.683 6.474 -0.202 1.00 0.00 C ATOM 7 SD MET A 1 1.746 7.325 -1.502 1.00 0.00 S ATOM 8 CE MET A 1 0.893 5.916 -2.257 1.00 0.00 C ATOM 0 H1 MET A 1 4.693 6.434 1.797 1.00 0.00 H new ATOM 0 H2 MET A 1 6.088 5.474 1.663 1.00 0.00 H new ATOM 0 H3 MET A 1 5.699 6.584 0.438 1.00 0.00 H new ATOM 0 HA MET A 1 3.825 4.449 1.158 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.389 5.965 -1.420 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.215 4.674 -1.265 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.983 5.951 0.450 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.192 7.220 0.409 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.104 6.279 -2.916 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.605 5.326 -2.834 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.455 5.294 -1.476 1.00 0.00 H new ATOM 20 N SER A 2 4.866 2.647 -0.486 1.00 0.00 N ATOM 21 CA SER A 2 5.630 1.514 -0.997 1.00 0.00 C ATOM 22 C SER A 2 6.041 1.717 -2.457 1.00 0.00 C ATOM 23 O SER A 2 6.792 0.914 -3.004 1.00 0.00 O ATOM 24 CB SER A 2 4.806 0.236 -0.848 1.00 0.00 C ATOM 25 OG SER A 2 4.445 0.054 0.505 1.00 0.00 O ATOM 0 H SER A 2 3.857 2.496 -0.474 1.00 0.00 H new ATOM 0 HA SER A 2 6.546 1.430 -0.413 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.911 0.295 -1.468 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.381 -0.621 -1.199 1.00 0.00 H new ATOM 0 HG SER A 2 3.915 -0.766 0.595 1.00 0.00 H new ATOM 31 N ALA A 3 5.550 2.788 -3.083 1.00 0.00 N ATOM 32 CA ALA A 3 5.875 3.140 -4.458 1.00 0.00 C ATOM 33 C ALA A 3 5.767 4.650 -4.648 1.00 0.00 C ATOM 34 O ALA A 3 5.100 5.333 -3.871 1.00 0.00 O ATOM 35 CB ALA A 3 4.911 2.414 -5.402 1.00 0.00 C ATOM 0 H ALA A 3 4.906 3.442 -2.638 1.00 0.00 H new ATOM 0 HA ALA A 3 6.897 2.836 -4.684 1.00 0.00 H new ATOM 0 HB1 ALA A 3 5.148 2.673 -6.434 1.00 0.00 H new ATOM 0 HB2 ALA A 3 5.010 1.337 -5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.887 2.715 -5.179 1.00 0.00 H new ATOM 41 N LEU A 4 6.431 5.161 -5.688 1.00 0.00 N ATOM 42 CA LEU A 4 6.447 6.578 -6.007 1.00 0.00 C ATOM 43 C LEU A 4 5.672 6.850 -7.292 1.00 0.00 C ATOM 44 O LEU A 4 6.250 7.215 -8.315 1.00 0.00 O ATOM 45 CB LEU A 4 7.880 7.129 -6.044 1.00 0.00 C ATOM 46 CG LEU A 4 8.836 6.363 -6.967 1.00 0.00 C ATOM 47 CD1 LEU A 4 9.938 7.314 -7.422 1.00 0.00 C ATOM 48 CD2 LEU A 4 9.500 5.193 -6.243 1.00 0.00 C ATOM 0 H LEU A 4 6.976 4.591 -6.335 1.00 0.00 H new ATOM 0 HA LEU A 4 5.937 7.118 -5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.846 8.171 -6.362 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.286 7.117 -5.032 1.00 0.00 H new ATOM 0 HG LEU A 4 8.259 5.977 -7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 4 10.627 6.784 -8.080 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.496 8.153 -7.959 1.00 0.00 H new ATOM 0 HD13 LEU A 4 10.480 7.686 -6.552 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.170 4.674 -6.928 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.070 5.567 -5.393 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.735 4.501 -5.891 1.00 0.00 H new ATOM 60 N THR A 5 4.351 6.672 -7.242 1.00 0.00 N ATOM 61 CA THR A 5 3.479 6.993 -8.362 1.00 0.00 C ATOM 62 C THR A 5 3.122 8.474 -8.336 1.00 0.00 C ATOM 63 O THR A 5 2.454 8.956 -9.248 1.00 0.00 O ATOM 64 CB THR A 5 2.222 6.121 -8.347 1.00 0.00 C ATOM 65 OG1 THR A 5 1.908 5.681 -7.045 1.00 0.00 O ATOM 66 CG2 THR A 5 2.412 4.905 -9.250 1.00 0.00 C ATOM 0 H THR A 5 3.862 6.303 -6.426 1.00 0.00 H new ATOM 0 HA THR A 5 4.011 6.782 -9.290 1.00 0.00 H new ATOM 0 HB THR A 5 1.399 6.734 -8.714 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.099 5.128 -7.073 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.510 4.293 -9.230 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.604 5.236 -10.271 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.258 4.317 -8.895 1.00 0.00 H new ATOM 74 N GLN A 6 3.565 9.191 -7.299 1.00 0.00 N ATOM 75 CA GLN A 6 3.296 10.604 -7.126 1.00 0.00 C ATOM 76 C GLN A 6 4.583 11.412 -7.070 1.00 0.00 C ATOM 77 O GLN A 6 5.322 11.322 -6.090 1.00 0.00 O ATOM 78 CB GLN A 6 2.525 10.798 -5.821 1.00 0.00 C ATOM 79 CG GLN A 6 1.135 10.172 -5.906 1.00 0.00 C ATOM 80 CD GLN A 6 1.138 8.669 -5.652 1.00 0.00 C ATOM 81 OE1 GLN A 6 2.088 8.112 -5.106 1.00 0.00 O ATOM 82 NE2 GLN A 6 0.065 7.990 -6.052 1.00 0.00 N ATOM 0 H GLN A 6 4.129 8.791 -6.549 1.00 0.00 H new ATOM 0 HA GLN A 6 2.713 10.954 -7.978 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.080 10.349 -4.997 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.435 11.862 -5.603 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.481 10.655 -5.181 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.715 10.367 -6.893 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.709 8.478 -6.502 1.00 0.00 H new ATOM 0 HE22 GLN A 6 0.017 6.981 -5.908 1.00 0.00 H new ATOM 91 N ILE A 7 4.842 12.199 -8.121 1.00 0.00 N ATOM 92 CA ILE A 7 6.044 13.019 -8.214 1.00 0.00 C ATOM 93 C ILE A 7 5.668 14.499 -8.248 1.00 0.00 C ATOM 94 O ILE A 7 4.809 14.904 -9.031 1.00 0.00 O ATOM 95 CB ILE A 7 6.849 12.638 -9.462 1.00 0.00 C ATOM 96 CG1 ILE A 7 6.986 11.119 -9.642 1.00 0.00 C ATOM 97 CG2 ILE A 7 8.235 13.286 -9.394 1.00 0.00 C ATOM 98 CD1 ILE A 7 7.585 10.413 -8.426 1.00 0.00 C ATOM 0 H ILE A 7 4.222 12.282 -8.927 1.00 0.00 H new ATOM 0 HA ILE A 7 6.664 12.839 -7.336 1.00 0.00 H new ATOM 0 HB ILE A 7 6.301 13.009 -10.328 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.003 10.696 -9.851 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.611 10.919 -10.513 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.807 13.015 -10.281 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.128 14.370 -9.348 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.758 12.935 -8.504 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.652 9.343 -8.623 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.581 10.809 -8.229 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.949 10.582 -7.557 1.00 0.00 H new ATOM 110 N LEU A 8 6.307 15.309 -7.402 1.00 0.00 N ATOM 111 CA LEU A 8 6.092 16.749 -7.374 1.00 0.00 C ATOM 112 C LEU A 8 7.080 17.421 -8.329 1.00 0.00 C ATOM 113 O LEU A 8 8.212 16.963 -8.469 1.00 0.00 O ATOM 114 CB LEU A 8 6.237 17.255 -5.932 1.00 0.00 C ATOM 115 CG LEU A 8 5.305 18.415 -5.564 1.00 0.00 C ATOM 116 CD1 LEU A 8 5.672 18.901 -4.166 1.00 0.00 C ATOM 117 CD2 LEU A 8 5.397 19.614 -6.505 1.00 0.00 C ATOM 0 H LEU A 8 6.988 14.980 -6.718 1.00 0.00 H new ATOM 0 HA LEU A 8 5.085 16.998 -7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.050 16.426 -5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.268 17.571 -5.774 1.00 0.00 H new ATOM 0 HG LEU A 8 4.289 18.027 -5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.019 19.728 -3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.551 18.085 -3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.708 19.238 -4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.706 20.390 -6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.414 20.006 -6.496 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.136 19.303 -7.517 1.00 0.00 H new ATOM 129 N ILE A 9 6.652 18.503 -8.979 1.00 0.00 N ATOM 130 CA ILE A 9 7.455 19.236 -9.946 1.00 0.00 C ATOM 131 C ILE A 9 7.769 20.622 -9.391 1.00 0.00 C ATOM 132 O ILE A 9 6.864 21.321 -8.932 1.00 0.00 O ATOM 133 CB ILE A 9 6.668 19.337 -11.256 1.00 0.00 C ATOM 134 CG1 ILE A 9 6.403 17.944 -11.838 1.00 0.00 C ATOM 135 CG2 ILE A 9 7.427 20.191 -12.276 1.00 0.00 C ATOM 136 CD1 ILE A 9 5.252 17.997 -12.841 1.00 0.00 C ATOM 0 H ILE A 9 5.721 18.898 -8.843 1.00 0.00 H new ATOM 0 HA ILE A 9 8.397 18.721 -10.135 1.00 0.00 H new ATOM 0 HB ILE A 9 5.712 19.814 -11.039 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.303 17.570 -12.326 1.00 0.00 H new ATOM 0 HG13 ILE A 9 6.163 17.247 -11.035 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.852 20.251 -13.200 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.573 21.194 -11.874 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.397 19.737 -12.481 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.076 17.000 -13.246 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.350 18.351 -12.341 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.508 18.678 -13.653 1.00 0.00 H new ATOM 148 N VAL A 10 9.042 21.018 -9.432 1.00 0.00 N ATOM 149 CA VAL A 10 9.471 22.323 -8.946 1.00 0.00 C ATOM 150 C VAL A 10 10.375 22.984 -9.982 1.00 0.00 C ATOM 151 O VAL A 10 11.439 22.454 -10.295 1.00 0.00 O ATOM 152 CB VAL A 10 10.210 22.164 -7.614 1.00 0.00 C ATOM 153 CG1 VAL A 10 10.494 23.537 -6.999 1.00 0.00 C ATOM 154 CG2 VAL A 10 9.398 21.335 -6.616 1.00 0.00 C ATOM 0 H VAL A 10 9.799 20.443 -9.802 1.00 0.00 H new ATOM 0 HA VAL A 10 8.598 22.956 -8.786 1.00 0.00 H new ATOM 0 HB VAL A 10 11.146 21.645 -7.822 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.020 23.410 -6.053 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.112 24.121 -7.682 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.553 24.059 -6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.953 21.243 -5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.445 21.828 -6.424 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.217 20.343 -7.030 1.00 0.00 H new ATOM 164 N GLU A 11 9.942 24.133 -10.510 1.00 0.00 N ATOM 165 CA GLU A 11 10.653 24.860 -11.553 1.00 0.00 C ATOM 166 C GLU A 11 10.568 26.361 -11.310 1.00 0.00 C ATOM 167 O GLU A 11 9.728 26.828 -10.548 1.00 0.00 O ATOM 168 CB GLU A 11 10.038 24.531 -12.919 1.00 0.00 C ATOM 169 CG GLU A 11 10.420 23.126 -13.396 1.00 0.00 C ATOM 170 CD GLU A 11 11.917 23.005 -13.685 1.00 0.00 C ATOM 171 OE1 GLU A 11 12.419 21.861 -13.636 1.00 0.00 O ATOM 172 OE2 GLU A 11 12.551 24.051 -13.956 1.00 0.00 O ATOM 0 H GLU A 11 9.076 24.586 -10.218 1.00 0.00 H new ATOM 0 HA GLU A 11 11.700 24.558 -11.536 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.953 24.610 -12.857 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.370 25.266 -13.653 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.137 22.396 -12.637 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.856 22.883 -14.297 1.00 0.00 H new ATOM 179 N ASP A 12 11.445 27.127 -11.964 1.00 0.00 N ATOM 180 CA ASP A 12 11.457 28.577 -11.844 1.00 0.00 C ATOM 181 C ASP A 12 10.448 29.225 -12.795 1.00 0.00 C ATOM 182 O ASP A 12 10.193 30.421 -12.697 1.00 0.00 O ATOM 183 CB ASP A 12 12.871 29.083 -12.125 1.00 0.00 C ATOM 184 CG ASP A 12 12.969 30.592 -11.930 1.00 0.00 C ATOM 185 OD1 ASP A 12 13.418 31.271 -12.877 1.00 0.00 O ATOM 186 OD2 ASP A 12 12.588 31.055 -10.830 1.00 0.00 O ATOM 0 H ASP A 12 12.162 26.756 -12.588 1.00 0.00 H new ATOM 0 HA ASP A 12 11.163 28.853 -10.831 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.577 28.582 -11.463 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.155 28.827 -13.146 1.00 0.00 H new ATOM 191 N GLU A 13 9.872 28.443 -13.712 1.00 0.00 N ATOM 192 CA GLU A 13 8.895 28.939 -14.672 1.00 0.00 C ATOM 193 C GLU A 13 7.785 27.906 -14.863 1.00 0.00 C ATOM 194 O GLU A 13 8.044 26.704 -14.814 1.00 0.00 O ATOM 195 CB GLU A 13 9.573 29.237 -16.013 1.00 0.00 C ATOM 196 CG GLU A 13 10.607 30.357 -15.882 1.00 0.00 C ATOM 197 CD GLU A 13 11.194 30.706 -17.246 1.00 0.00 C ATOM 198 OE1 GLU A 13 12.179 30.045 -17.643 1.00 0.00 O ATOM 199 OE2 GLU A 13 10.653 31.637 -17.887 1.00 0.00 O ATOM 0 H GLU A 13 10.073 27.448 -13.806 1.00 0.00 H new ATOM 0 HA GLU A 13 8.460 29.862 -14.289 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.058 28.335 -16.385 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.819 29.520 -16.748 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.142 31.240 -15.443 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.403 30.047 -15.205 1.00 0.00 H new ATOM 206 N PRO A 14 6.546 28.359 -15.081 1.00 0.00 N ATOM 207 CA PRO A 14 5.401 27.484 -15.256 1.00 0.00 C ATOM 208 C PRO A 14 5.437 26.793 -16.617 1.00 0.00 C ATOM 209 O PRO A 14 4.713 25.824 -16.832 1.00 0.00 O ATOM 210 CB PRO A 14 4.185 28.404 -15.133 1.00 0.00 C ATOM 211 CG PRO A 14 4.709 29.733 -15.672 1.00 0.00 C ATOM 212 CD PRO A 14 6.152 29.754 -15.163 1.00 0.00 C ATOM 0 HA PRO A 14 5.382 26.681 -14.519 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.340 28.037 -15.715 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.847 28.492 -14.100 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.662 29.776 -16.760 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.134 30.579 -15.295 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.801 30.307 -15.842 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.219 30.240 -14.190 1.00 0.00 H new ATOM 220 N LEU A 15 6.276 27.279 -17.542 1.00 0.00 N ATOM 221 CA LEU A 15 6.369 26.693 -18.872 1.00 0.00 C ATOM 222 C LEU A 15 7.131 25.370 -18.825 1.00 0.00 C ATOM 223 O LEU A 15 6.868 24.477 -19.627 1.00 0.00 O ATOM 224 CB LEU A 15 7.059 27.681 -19.821 1.00 0.00 C ATOM 225 CG LEU A 15 6.324 29.022 -19.909 1.00 0.00 C ATOM 226 CD1 LEU A 15 7.075 29.939 -20.872 1.00 0.00 C ATOM 227 CD2 LEU A 15 4.892 28.845 -20.411 1.00 0.00 C ATOM 0 H LEU A 15 6.896 28.074 -17.387 1.00 0.00 H new ATOM 0 HA LEU A 15 5.364 26.488 -19.241 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.081 27.852 -19.482 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.123 27.240 -20.816 1.00 0.00 H new ATOM 0 HG LEU A 15 6.286 29.455 -18.910 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.558 30.896 -20.941 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.089 30.099 -20.506 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.115 29.477 -21.858 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.401 29.817 -20.461 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.907 28.395 -21.404 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.344 28.196 -19.727 1.00 0.00 H new ATOM 239 N ILE A 16 8.075 25.237 -17.887 1.00 0.00 N ATOM 240 CA ILE A 16 8.822 23.997 -17.731 1.00 0.00 C ATOM 241 C ILE A 16 8.025 23.043 -16.849 1.00 0.00 C ATOM 242 O ILE A 16 8.121 21.829 -17.005 1.00 0.00 O ATOM 243 CB ILE A 16 10.210 24.280 -17.145 1.00 0.00 C ATOM 244 CG1 ILE A 16 10.960 25.343 -17.961 1.00 0.00 C ATOM 245 CG2 ILE A 16 11.029 22.986 -17.088 1.00 0.00 C ATOM 246 CD1 ILE A 16 11.159 24.955 -19.428 1.00 0.00 C ATOM 0 H ILE A 16 8.335 25.973 -17.230 1.00 0.00 H new ATOM 0 HA ILE A 16 8.971 23.529 -18.704 1.00 0.00 H new ATOM 0 HB ILE A 16 10.075 24.668 -16.135 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.409 26.282 -17.913 1.00 0.00 H new ATOM 0 HG13 ILE A 16 11.934 25.520 -17.505 1.00 0.00 H new ATOM 0 HG21 ILE A 16 12.014 23.197 -16.670 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.516 22.258 -16.459 1.00 0.00 H new ATOM 0 HG23 ILE A 16 11.141 22.581 -18.094 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.695 25.751 -19.945 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.736 24.032 -19.485 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.188 24.806 -19.900 1.00 0.00 H new ATOM 258 N ALA A 17 7.230 23.583 -15.921 1.00 0.00 N ATOM 259 CA ALA A 17 6.385 22.755 -15.077 1.00 0.00 C ATOM 260 C ALA A 17 5.267 22.126 -15.905 1.00 0.00 C ATOM 261 O ALA A 17 4.818 21.026 -15.597 1.00 0.00 O ATOM 262 CB ALA A 17 5.819 23.612 -13.946 1.00 0.00 C ATOM 0 H ALA A 17 7.159 24.584 -15.741 1.00 0.00 H new ATOM 0 HA ALA A 17 6.973 21.945 -14.645 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.183 22.998 -13.308 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.638 24.022 -13.356 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.231 24.428 -14.367 1.00 0.00 H new ATOM 268 N MET A 18 4.818 22.816 -16.959 1.00 0.00 N ATOM 269 CA MET A 18 3.794 22.291 -17.849 1.00 0.00 C ATOM 270 C MET A 18 4.412 21.290 -18.824 1.00 0.00 C ATOM 271 O MET A 18 3.737 20.373 -19.288 1.00 0.00 O ATOM 272 CB MET A 18 3.140 23.461 -18.586 1.00 0.00 C ATOM 273 CG MET A 18 1.974 22.982 -19.461 1.00 0.00 C ATOM 274 SD MET A 18 0.657 22.111 -18.569 1.00 0.00 S ATOM 275 CE MET A 18 0.094 23.442 -17.474 1.00 0.00 C ATOM 0 H MET A 18 5.155 23.745 -17.212 1.00 0.00 H new ATOM 0 HA MET A 18 3.030 21.763 -17.279 1.00 0.00 H new ATOM 0 HB2 MET A 18 2.779 24.194 -17.864 1.00 0.00 H new ATOM 0 HB3 MET A 18 3.882 23.964 -19.207 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.541 23.845 -19.967 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.367 22.322 -20.235 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.856 23.161 -17.019 1.00 0.00 H new ATOM 0 HE2 MET A 18 0.836 23.609 -16.693 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.037 24.357 -18.051 1.00 0.00 H new ATOM 285 N MET A 19 5.701 21.455 -19.142 1.00 0.00 N ATOM 286 CA MET A 19 6.401 20.510 -19.998 1.00 0.00 C ATOM 287 C MET A 19 6.607 19.192 -19.251 1.00 0.00 C ATOM 288 O MET A 19 6.645 18.132 -19.867 1.00 0.00 O ATOM 289 CB MET A 19 7.731 21.132 -20.435 1.00 0.00 C ATOM 290 CG MET A 19 8.379 20.324 -21.554 1.00 0.00 C ATOM 291 SD MET A 19 9.914 21.066 -22.174 1.00 0.00 S ATOM 292 CE MET A 19 10.191 20.024 -23.626 1.00 0.00 C ATOM 0 H MET A 19 6.273 22.234 -18.817 1.00 0.00 H new ATOM 0 HA MET A 19 5.813 20.292 -20.890 1.00 0.00 H new ATOM 0 HB2 MET A 19 7.563 22.155 -20.772 1.00 0.00 H new ATOM 0 HB3 MET A 19 8.408 21.185 -19.582 1.00 0.00 H new ATOM 0 HG2 MET A 19 8.590 19.318 -21.192 1.00 0.00 H new ATOM 0 HG3 MET A 19 7.672 20.225 -22.378 1.00 0.00 H new ATOM 0 HE1 MET A 19 11.197 20.194 -24.009 1.00 0.00 H new ATOM 0 HE2 MET A 19 10.081 18.976 -23.348 1.00 0.00 H new ATOM 0 HE3 MET A 19 9.462 20.273 -24.397 1.00 0.00 H new ATOM 302 N LEU A 20 6.733 19.258 -17.923 1.00 0.00 N ATOM 303 CA LEU A 20 6.865 18.073 -17.091 1.00 0.00 C ATOM 304 C LEU A 20 5.518 17.366 -16.950 1.00 0.00 C ATOM 305 O LEU A 20 5.480 16.148 -16.790 1.00 0.00 O ATOM 306 CB LEU A 20 7.402 18.484 -15.720 1.00 0.00 C ATOM 307 CG LEU A 20 8.905 18.230 -15.552 1.00 0.00 C ATOM 308 CD1 LEU A 20 9.147 16.733 -15.395 1.00 0.00 C ATOM 309 CD2 LEU A 20 9.720 18.796 -16.712 1.00 0.00 C ATOM 0 H LEU A 20 6.746 20.135 -17.402 1.00 0.00 H new ATOM 0 HA LEU A 20 7.561 17.377 -17.558 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.200 19.544 -15.562 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.860 17.938 -14.948 1.00 0.00 H new ATOM 0 HG LEU A 20 9.241 18.751 -14.656 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.214 16.548 -15.275 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.615 16.369 -14.516 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.785 16.211 -16.281 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.778 18.591 -16.547 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.400 18.329 -17.643 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.564 19.873 -16.775 1.00 0.00 H new ATOM 321 N GLU A 21 4.412 18.111 -17.013 1.00 0.00 N ATOM 322 CA GLU A 21 3.082 17.513 -16.968 1.00 0.00 C ATOM 323 C GLU A 21 2.786 16.781 -18.277 1.00 0.00 C ATOM 324 O GLU A 21 1.958 15.870 -18.300 1.00 0.00 O ATOM 325 CB GLU A 21 2.041 18.610 -16.722 1.00 0.00 C ATOM 326 CG GLU A 21 2.096 19.135 -15.289 1.00 0.00 C ATOM 327 CD GLU A 21 1.494 18.129 -14.313 1.00 0.00 C ATOM 328 OE1 GLU A 21 2.249 17.248 -13.842 1.00 0.00 O ATOM 329 OE2 GLU A 21 0.276 18.247 -14.042 1.00 0.00 O ATOM 0 H GLU A 21 4.414 19.128 -17.095 1.00 0.00 H new ATOM 0 HA GLU A 21 3.039 16.789 -16.155 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.209 19.433 -17.417 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.045 18.218 -16.927 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.130 19.340 -15.013 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.555 20.079 -15.223 1.00 0.00 H new ATOM 336 N ASP A 22 3.456 17.168 -19.366 1.00 0.00 N ATOM 337 CA ASP A 22 3.248 16.531 -20.659 1.00 0.00 C ATOM 338 C ASP A 22 3.962 15.180 -20.738 1.00 0.00 C ATOM 339 O ASP A 22 3.403 14.223 -21.278 1.00 0.00 O ATOM 340 CB ASP A 22 3.734 17.472 -21.760 1.00 0.00 C ATOM 341 CG ASP A 22 3.463 16.891 -23.145 1.00 0.00 C ATOM 342 OD1 ASP A 22 2.281 16.901 -23.554 1.00 0.00 O ATOM 343 OD2 ASP A 22 4.438 16.441 -23.785 1.00 0.00 O ATOM 0 H ASP A 22 4.146 17.919 -19.373 1.00 0.00 H new ATOM 0 HA ASP A 22 2.184 16.336 -20.792 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.235 18.436 -21.664 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.802 17.653 -21.642 1.00 0.00 H new ATOM 348 N PHE A 23 5.186 15.079 -20.210 1.00 0.00 N ATOM 349 CA PHE A 23 5.918 13.819 -20.268 1.00 0.00 C ATOM 350 C PHE A 23 5.404 12.812 -19.241 1.00 0.00 C ATOM 351 O PHE A 23 5.564 11.610 -19.441 1.00 0.00 O ATOM 352 CB PHE A 23 7.412 14.071 -20.090 1.00 0.00 C ATOM 353 CG PHE A 23 8.099 14.472 -21.376 1.00 0.00 C ATOM 354 CD1 PHE A 23 8.564 13.478 -22.249 1.00 0.00 C ATOM 355 CD2 PHE A 23 8.269 15.824 -21.705 1.00 0.00 C ATOM 356 CE1 PHE A 23 9.193 13.839 -23.449 1.00 0.00 C ATOM 357 CE2 PHE A 23 8.890 16.184 -22.906 1.00 0.00 C ATOM 358 CZ PHE A 23 9.353 15.191 -23.781 1.00 0.00 C ATOM 0 H PHE A 23 5.680 15.842 -19.747 1.00 0.00 H new ATOM 0 HA PHE A 23 5.751 13.380 -21.252 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.557 14.855 -19.347 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.883 13.170 -19.698 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.438 12.435 -21.997 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.919 16.590 -21.029 1.00 0.00 H new ATOM 0 HE1 PHE A 23 9.555 13.073 -24.119 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.013 17.227 -23.159 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.832 15.467 -24.709 1.00 0.00 H new ATOM 368 N LEU A 24 4.787 13.269 -18.147 1.00 0.00 N ATOM 369 CA LEU A 24 4.212 12.341 -17.182 1.00 0.00 C ATOM 370 C LEU A 24 2.895 11.776 -17.708 1.00 0.00 C ATOM 371 O LEU A 24 2.456 10.726 -17.247 1.00 0.00 O ATOM 372 CB LEU A 24 4.017 13.046 -15.836 1.00 0.00 C ATOM 373 CG LEU A 24 5.355 13.387 -15.164 1.00 0.00 C ATOM 374 CD1 LEU A 24 5.074 14.153 -13.876 1.00 0.00 C ATOM 375 CD2 LEU A 24 6.166 12.137 -14.814 1.00 0.00 C ATOM 0 H LEU A 24 4.676 14.256 -17.914 1.00 0.00 H new ATOM 0 HA LEU A 24 4.896 11.505 -17.035 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.444 13.961 -15.986 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.432 12.408 -15.174 1.00 0.00 H new ATOM 0 HG LEU A 24 5.937 13.981 -15.868 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.016 14.402 -13.388 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.533 15.070 -14.109 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.472 13.535 -13.209 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.103 12.432 -14.341 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.594 11.513 -14.128 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.379 11.575 -15.723 1.00 0.00 H new ATOM 387 N GLU A 25 2.263 12.456 -18.672 1.00 0.00 N ATOM 388 CA GLU A 25 1.045 11.950 -19.293 1.00 0.00 C ATOM 389 C GLU A 25 1.380 10.919 -20.373 1.00 0.00 C ATOM 390 O GLU A 25 0.577 10.027 -20.648 1.00 0.00 O ATOM 391 CB GLU A 25 0.245 13.125 -19.860 1.00 0.00 C ATOM 392 CG GLU A 25 -1.101 12.656 -20.410 1.00 0.00 C ATOM 393 CD GLU A 25 -1.951 13.838 -20.871 1.00 0.00 C ATOM 394 OE1 GLU A 25 -1.848 14.196 -22.064 1.00 0.00 O ATOM 395 OE2 GLU A 25 -2.701 14.379 -20.026 1.00 0.00 O ATOM 0 H GLU A 25 2.578 13.356 -19.035 1.00 0.00 H new ATOM 0 HA GLU A 25 0.434 11.443 -18.546 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.084 13.870 -19.081 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.816 13.610 -20.651 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.938 11.974 -21.245 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.636 12.097 -19.642 1.00 0.00 H new ATOM 402 N VAL A 26 2.565 11.029 -20.985 1.00 0.00 N ATOM 403 CA VAL A 26 3.016 10.080 -21.994 1.00 0.00 C ATOM 404 C VAL A 26 3.559 8.810 -21.342 1.00 0.00 C ATOM 405 O VAL A 26 3.597 7.755 -21.977 1.00 0.00 O ATOM 406 CB VAL A 26 4.068 10.759 -22.882 1.00 0.00 C ATOM 407 CG1 VAL A 26 4.717 9.779 -23.862 1.00 0.00 C ATOM 408 CG2 VAL A 26 3.406 11.867 -23.705 1.00 0.00 C ATOM 0 H VAL A 26 3.231 11.777 -20.792 1.00 0.00 H new ATOM 0 HA VAL A 26 2.174 9.778 -22.617 1.00 0.00 H new ATOM 0 HB VAL A 26 4.836 11.156 -22.218 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.454 10.305 -24.468 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.208 8.980 -23.306 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.952 9.352 -24.510 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.154 12.348 -24.335 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.625 11.437 -24.332 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.967 12.606 -23.034 1.00 0.00 H new ATOM 418 N LEU A 27 3.980 8.902 -20.074 1.00 0.00 N ATOM 419 CA LEU A 27 4.513 7.765 -19.335 1.00 0.00 C ATOM 420 C LEU A 27 3.473 7.166 -18.385 1.00 0.00 C ATOM 421 O LEU A 27 3.820 6.369 -17.512 1.00 0.00 O ATOM 422 CB LEU A 27 5.798 8.169 -18.603 1.00 0.00 C ATOM 423 CG LEU A 27 6.914 8.580 -19.570 1.00 0.00 C ATOM 424 CD1 LEU A 27 8.139 8.994 -18.761 1.00 0.00 C ATOM 425 CD2 LEU A 27 7.315 7.433 -20.493 1.00 0.00 C ATOM 0 H LEU A 27 3.958 9.769 -19.537 1.00 0.00 H new ATOM 0 HA LEU A 27 4.763 6.979 -20.047 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.583 8.996 -17.927 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.141 7.336 -17.989 1.00 0.00 H new ATOM 0 HG LEU A 27 6.543 9.402 -20.181 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.940 9.289 -19.439 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.882 9.834 -18.116 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.471 8.155 -18.149 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.108 7.765 -21.163 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.672 6.593 -19.896 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.452 7.120 -21.080 1.00 0.00 H new ATOM 437 N ASP A 28 2.199 7.541 -18.546 1.00 0.00 N ATOM 438 CA ASP A 28 1.091 7.041 -17.739 1.00 0.00 C ATOM 439 C ASP A 28 1.340 7.210 -16.237 1.00 0.00 C ATOM 440 O ASP A 28 0.847 6.429 -15.423 1.00 0.00 O ATOM 441 CB ASP A 28 0.759 5.603 -18.148 1.00 0.00 C ATOM 442 CG ASP A 28 -0.556 5.123 -17.540 1.00 0.00 C ATOM 443 OD1 ASP A 28 -0.572 3.990 -17.005 1.00 0.00 O ATOM 444 OD2 ASP A 28 -1.542 5.889 -17.611 1.00 0.00 O ATOM 0 H ASP A 28 1.908 8.214 -19.256 1.00 0.00 H new ATOM 0 HA ASP A 28 0.209 7.649 -17.940 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.700 5.540 -19.235 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.566 4.941 -17.834 1.00 0.00 H new ATOM 449 N LYS A 29 2.113 8.235 -15.865 1.00 0.00 N ATOM 450 CA LYS A 29 2.438 8.538 -14.479 1.00 0.00 C ATOM 451 C LYS A 29 1.329 9.400 -13.880 1.00 0.00 C ATOM 452 O LYS A 29 0.557 10.010 -14.620 1.00 0.00 O ATOM 453 CB LYS A 29 3.801 9.241 -14.439 1.00 0.00 C ATOM 454 CG LYS A 29 4.765 8.628 -13.419 1.00 0.00 C ATOM 455 CD LYS A 29 4.250 8.762 -11.987 1.00 0.00 C ATOM 456 CE LYS A 29 5.360 8.433 -10.992 1.00 0.00 C ATOM 457 NZ LYS A 29 5.835 7.044 -11.132 1.00 0.00 N ATOM 0 H LYS A 29 2.533 8.883 -16.532 1.00 0.00 H new ATOM 0 HA LYS A 29 2.506 7.628 -13.883 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.254 9.198 -15.429 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.653 10.294 -14.202 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.916 7.574 -13.652 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.737 9.115 -13.501 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.888 9.776 -11.817 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.404 8.092 -11.833 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.195 9.118 -11.141 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.995 8.591 -9.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.119 6.679 -10.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.071 6.453 -11.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.651 7.019 -11.777 1.00 0.00 H new ATOM 471 N THR A 30 1.239 9.461 -12.549 1.00 0.00 N ATOM 472 CA THR A 30 0.213 10.253 -11.880 1.00 0.00 C ATOM 473 C THR A 30 0.840 11.517 -11.286 1.00 0.00 C ATOM 474 O THR A 30 1.700 11.423 -10.410 1.00 0.00 O ATOM 475 CB THR A 30 -0.482 9.403 -10.811 1.00 0.00 C ATOM 476 OG1 THR A 30 -1.088 8.283 -11.423 1.00 0.00 O ATOM 477 CG2 THR A 30 -1.567 10.208 -10.097 1.00 0.00 C ATOM 0 H THR A 30 1.868 8.968 -11.915 1.00 0.00 H new ATOM 0 HA THR A 30 -0.544 10.565 -12.600 1.00 0.00 H new ATOM 0 HB THR A 30 0.268 9.087 -10.085 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.532 7.737 -10.740 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.046 9.584 -9.343 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.118 11.077 -9.617 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.312 10.538 -10.822 1.00 0.00 H new ATOM 485 N PRO A 31 0.424 12.706 -11.746 1.00 0.00 N ATOM 486 CA PRO A 31 0.892 13.972 -11.218 1.00 0.00 C ATOM 487 C PRO A 31 0.179 14.289 -9.904 1.00 0.00 C ATOM 488 O PRO A 31 -0.862 13.702 -9.605 1.00 0.00 O ATOM 489 CB PRO A 31 0.541 14.993 -12.299 1.00 0.00 C ATOM 490 CG PRO A 31 -0.760 14.427 -12.867 1.00 0.00 C ATOM 491 CD PRO A 31 -0.524 12.919 -12.827 1.00 0.00 C ATOM 0 HA PRO A 31 1.959 13.970 -10.996 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.404 15.992 -11.886 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.319 15.066 -13.059 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.622 14.717 -12.267 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.945 14.780 -13.882 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.454 12.380 -12.646 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.126 12.558 -13.775 1.00 0.00 H new ATOM 499 N VAL A 32 0.734 15.220 -9.120 1.00 0.00 N ATOM 500 CA VAL A 32 0.125 15.621 -7.855 1.00 0.00 C ATOM 501 C VAL A 32 0.113 17.136 -7.676 1.00 0.00 C ATOM 502 O VAL A 32 -0.644 17.645 -6.850 1.00 0.00 O ATOM 503 CB VAL A 32 0.850 14.958 -6.678 1.00 0.00 C ATOM 504 CG1 VAL A 32 0.701 13.438 -6.741 1.00 0.00 C ATOM 505 CG2 VAL A 32 2.339 15.308 -6.657 1.00 0.00 C ATOM 0 H VAL A 32 1.602 15.707 -9.342 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.912 15.285 -7.877 1.00 0.00 H new ATOM 0 HB VAL A 32 0.388 15.340 -5.767 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.222 12.986 -5.897 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.356 13.174 -6.698 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.130 13.069 -7.673 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.816 14.818 -5.808 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.806 14.968 -7.581 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.458 16.388 -6.567 1.00 0.00 H new ATOM 515 N GLY A 33 0.937 17.866 -8.432 1.00 0.00 N ATOM 516 CA GLY A 33 0.949 19.318 -8.358 1.00 0.00 C ATOM 517 C GLY A 33 2.194 19.916 -9.003 1.00 0.00 C ATOM 518 O GLY A 33 3.116 19.199 -9.392 1.00 0.00 O ATOM 0 H GLY A 33 1.600 17.471 -9.099 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.061 19.713 -8.851 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.898 19.628 -7.314 1.00 0.00 H new ATOM 522 N THR A 34 2.204 21.247 -9.108 1.00 0.00 N ATOM 523 CA THR A 34 3.327 22.017 -9.624 1.00 0.00 C ATOM 524 C THR A 34 3.494 23.263 -8.763 1.00 0.00 C ATOM 525 O THR A 34 2.502 23.856 -8.339 1.00 0.00 O ATOM 526 CB THR A 34 3.091 22.414 -11.083 1.00 0.00 C ATOM 527 OG1 THR A 34 1.870 23.112 -11.209 1.00 0.00 O ATOM 528 CG2 THR A 34 3.034 21.186 -11.993 1.00 0.00 C ATOM 0 H THR A 34 1.413 21.827 -8.830 1.00 0.00 H new ATOM 0 HA THR A 34 4.231 21.409 -9.586 1.00 0.00 H new ATOM 0 HB THR A 34 3.925 23.048 -11.383 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.731 23.362 -12.146 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.865 21.503 -13.022 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.977 20.643 -11.931 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.219 20.535 -11.676 1.00 0.00 H new ATOM 536 N VAL A 35 4.741 23.663 -8.503 1.00 0.00 N ATOM 537 CA VAL A 35 5.033 24.841 -7.695 1.00 0.00 C ATOM 538 C VAL A 35 6.193 25.625 -8.302 1.00 0.00 C ATOM 539 O VAL A 35 7.045 25.060 -8.988 1.00 0.00 O ATOM 540 CB VAL A 35 5.326 24.450 -6.240 1.00 0.00 C ATOM 541 CG1 VAL A 35 4.077 23.891 -5.557 1.00 0.00 C ATOM 542 CG2 VAL A 35 6.430 23.399 -6.151 1.00 0.00 C ATOM 0 H VAL A 35 5.571 23.179 -8.847 1.00 0.00 H new ATOM 0 HA VAL A 35 4.153 25.484 -7.690 1.00 0.00 H new ATOM 0 HB VAL A 35 5.650 25.360 -5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.315 23.623 -4.528 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.290 24.646 -5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.735 23.006 -6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.609 23.147 -5.106 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.124 22.504 -6.692 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.345 23.795 -6.591 1.00 0.00 H new ATOM 552 N ASP A 36 6.214 26.936 -8.046 1.00 0.00 N ATOM 553 CA ASP A 36 7.217 27.842 -8.595 1.00 0.00 C ATOM 554 C ASP A 36 8.312 28.175 -7.577 1.00 0.00 C ATOM 555 O ASP A 36 9.222 28.946 -7.876 1.00 0.00 O ATOM 556 CB ASP A 36 6.530 29.100 -9.133 1.00 0.00 C ATOM 557 CG ASP A 36 5.895 29.929 -8.015 1.00 0.00 C ATOM 558 OD1 ASP A 36 5.028 29.373 -7.306 1.00 0.00 O ATOM 559 OD2 ASP A 36 6.279 31.113 -7.881 1.00 0.00 O ATOM 0 H ASP A 36 5.529 27.398 -7.448 1.00 0.00 H new ATOM 0 HA ASP A 36 7.722 27.341 -9.421 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.258 29.710 -9.668 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.763 28.814 -9.853 1.00 0.00 H new ATOM 564 N THR A 37 8.229 27.596 -6.375 1.00 0.00 N ATOM 565 CA THR A 37 9.214 27.796 -5.325 1.00 0.00 C ATOM 566 C THR A 37 9.452 26.485 -4.583 1.00 0.00 C ATOM 567 O THR A 37 8.607 25.590 -4.602 1.00 0.00 O ATOM 568 CB THR A 37 8.753 28.872 -4.336 1.00 0.00 C ATOM 569 OG1 THR A 37 7.547 28.470 -3.720 1.00 0.00 O ATOM 570 CG2 THR A 37 8.533 30.214 -5.030 1.00 0.00 C ATOM 0 H THR A 37 7.468 26.972 -6.108 1.00 0.00 H new ATOM 0 HA THR A 37 10.143 28.129 -5.788 1.00 0.00 H new ATOM 0 HB THR A 37 9.537 28.993 -3.589 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.257 29.160 -3.087 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.207 30.953 -4.298 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.465 30.544 -5.488 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.769 30.104 -5.800 1.00 0.00 H new ATOM 578 N VAL A 38 10.607 26.365 -3.924 1.00 0.00 N ATOM 579 CA VAL A 38 10.936 25.174 -3.155 1.00 0.00 C ATOM 580 C VAL A 38 10.179 25.159 -1.827 1.00 0.00 C ATOM 581 O VAL A 38 9.978 24.098 -1.235 1.00 0.00 O ATOM 582 CB VAL A 38 12.456 25.100 -2.963 1.00 0.00 C ATOM 583 CG1 VAL A 38 12.981 26.272 -2.133 1.00 0.00 C ATOM 584 CG2 VAL A 38 12.841 23.796 -2.270 1.00 0.00 C ATOM 0 H VAL A 38 11.330 27.085 -3.911 1.00 0.00 H new ATOM 0 HA VAL A 38 10.620 24.284 -3.700 1.00 0.00 H new ATOM 0 HB VAL A 38 12.906 25.145 -3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 38 14.061 26.183 -2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.745 27.209 -2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.511 26.261 -1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.923 23.758 -2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 38 12.357 23.746 -1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.519 22.951 -2.879 1.00 0.00 H new ATOM 594 N ALA A 39 9.752 26.334 -1.348 1.00 0.00 N ATOM 595 CA ALA A 39 8.999 26.430 -0.110 1.00 0.00 C ATOM 596 C ALA A 39 7.578 25.909 -0.302 1.00 0.00 C ATOM 597 O ALA A 39 6.948 25.457 0.653 1.00 0.00 O ATOM 598 CB ALA A 39 8.992 27.886 0.355 1.00 0.00 C ATOM 0 H ALA A 39 9.920 27.229 -1.807 1.00 0.00 H new ATOM 0 HA ALA A 39 9.472 25.813 0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.429 27.968 1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 39 10.016 28.220 0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.526 28.509 -0.408 1.00 0.00 H new ATOM 604 N GLY A 40 7.065 25.964 -1.538 1.00 0.00 N ATOM 605 CA GLY A 40 5.750 25.434 -1.849 1.00 0.00 C ATOM 606 C GLY A 40 5.792 23.913 -1.947 1.00 0.00 C ATOM 607 O GLY A 40 4.787 23.248 -1.701 1.00 0.00 O ATOM 0 H GLY A 40 7.551 26.374 -2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.040 25.734 -1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.396 25.855 -2.790 1.00 0.00 H new ATOM 611 N ALA A 41 6.954 23.352 -2.299 1.00 0.00 N ATOM 612 CA ALA A 41 7.104 21.910 -2.393 1.00 0.00 C ATOM 613 C ALA A 41 7.115 21.292 -0.996 1.00 0.00 C ATOM 614 O ALA A 41 6.608 20.190 -0.799 1.00 0.00 O ATOM 615 CB ALA A 41 8.402 21.592 -3.131 1.00 0.00 C ATOM 0 H ALA A 41 7.798 23.880 -2.522 1.00 0.00 H new ATOM 0 HA ALA A 41 6.264 21.487 -2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.523 20.511 -3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.367 22.024 -4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.245 22.014 -2.583 1.00 0.00 H new ATOM 621 N LEU A 42 7.690 22.004 -0.024 1.00 0.00 N ATOM 622 CA LEU A 42 7.727 21.538 1.354 1.00 0.00 C ATOM 623 C LEU A 42 6.311 21.578 1.929 1.00 0.00 C ATOM 624 O LEU A 42 5.919 20.704 2.699 1.00 0.00 O ATOM 625 CB LEU A 42 8.706 22.438 2.126 1.00 0.00 C ATOM 626 CG LEU A 42 9.328 21.835 3.394 1.00 0.00 C ATOM 627 CD1 LEU A 42 8.294 21.540 4.474 1.00 0.00 C ATOM 628 CD2 LEU A 42 10.099 20.555 3.077 1.00 0.00 C ATOM 0 H LEU A 42 8.137 22.909 -0.172 1.00 0.00 H new ATOM 0 HA LEU A 42 8.075 20.508 1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.513 22.723 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.183 23.354 2.403 1.00 0.00 H new ATOM 0 HG LEU A 42 10.013 22.591 3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.790 21.115 5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.790 22.464 4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.561 20.829 4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.528 20.152 3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.422 19.821 2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.898 20.777 2.370 1.00 0.00 H new ATOM 640 N ALA A 43 5.532 22.597 1.550 1.00 0.00 N ATOM 641 CA ALA A 43 4.168 22.748 2.031 1.00 0.00 C ATOM 642 C ALA A 43 3.263 21.626 1.519 1.00 0.00 C ATOM 643 O ALA A 43 2.253 21.319 2.151 1.00 0.00 O ATOM 644 CB ALA A 43 3.646 24.117 1.600 1.00 0.00 C ATOM 0 H ALA A 43 5.832 23.330 0.907 1.00 0.00 H new ATOM 0 HA ALA A 43 4.163 22.680 3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.623 24.244 1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.277 24.897 2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.665 24.188 0.512 1.00 0.00 H new ATOM 650 N ARG A 44 3.614 21.011 0.384 1.00 0.00 N ATOM 651 CA ARG A 44 2.859 19.883 -0.151 1.00 0.00 C ATOM 652 C ARG A 44 3.305 18.565 0.482 1.00 0.00 C ATOM 653 O ARG A 44 2.554 17.593 0.458 1.00 0.00 O ATOM 654 CB ARG A 44 3.029 19.826 -1.673 1.00 0.00 C ATOM 655 CG ARG A 44 2.399 21.011 -2.415 1.00 0.00 C ATOM 656 CD ARG A 44 0.872 20.943 -2.451 1.00 0.00 C ATOM 657 NE ARG A 44 0.269 21.353 -1.176 1.00 0.00 N ATOM 658 CZ ARG A 44 -0.641 20.649 -0.497 1.00 0.00 C ATOM 659 NH1 ARG A 44 -1.064 19.465 -0.938 1.00 0.00 N ATOM 660 NH2 ARG A 44 -1.139 21.128 0.640 1.00 0.00 N ATOM 0 H ARG A 44 4.420 21.280 -0.180 1.00 0.00 H new ATOM 0 HA ARG A 44 1.806 20.027 0.092 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.093 19.787 -1.908 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.586 18.901 -2.044 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.706 21.940 -1.934 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.781 21.040 -3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.500 21.584 -3.250 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.561 19.926 -2.688 1.00 0.00 H new ATOM 0 HE ARG A 44 0.568 22.244 -0.779 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.692 19.082 -1.807 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.759 18.941 -0.406 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.826 22.032 0.993 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.834 20.591 1.159 1.00 0.00 H new ATOM 674 N VAL A 45 4.512 18.523 1.050 1.00 0.00 N ATOM 675 CA VAL A 45 5.021 17.325 1.710 1.00 0.00 C ATOM 676 C VAL A 45 4.445 17.207 3.121 1.00 0.00 C ATOM 677 O VAL A 45 4.368 16.108 3.666 1.00 0.00 O ATOM 678 CB VAL A 45 6.553 17.357 1.702 1.00 0.00 C ATOM 679 CG1 VAL A 45 7.154 16.290 2.615 1.00 0.00 C ATOM 680 CG2 VAL A 45 7.044 17.094 0.277 1.00 0.00 C ATOM 0 H VAL A 45 5.157 19.313 1.064 1.00 0.00 H new ATOM 0 HA VAL A 45 4.702 16.435 1.168 1.00 0.00 H new ATOM 0 HB VAL A 45 6.867 18.337 2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.242 16.350 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.816 16.455 3.638 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.833 15.303 2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.134 17.114 0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.693 16.116 -0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.655 17.864 -0.390 1.00 0.00 H new ATOM 690 N GLU A 46 4.032 18.330 3.718 1.00 0.00 N ATOM 691 CA GLU A 46 3.389 18.319 5.029 1.00 0.00 C ATOM 692 C GLU A 46 1.941 17.834 4.920 1.00 0.00 C ATOM 693 O GLU A 46 1.325 17.505 5.933 1.00 0.00 O ATOM 694 CB GLU A 46 3.438 19.717 5.646 1.00 0.00 C ATOM 695 CG GLU A 46 4.875 20.120 5.983 1.00 0.00 C ATOM 696 CD GLU A 46 4.914 21.486 6.667 1.00 0.00 C ATOM 697 OE1 GLU A 46 4.708 22.495 5.956 1.00 0.00 O ATOM 698 OE2 GLU A 46 5.153 21.511 7.895 1.00 0.00 O ATOM 0 H GLU A 46 4.134 19.259 3.310 1.00 0.00 H new ATOM 0 HA GLU A 46 3.930 17.628 5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.008 20.439 4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.829 19.741 6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.324 19.370 6.634 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.472 20.148 5.071 1.00 0.00 H new ATOM 705 N ASP A 47 1.398 17.792 3.699 1.00 0.00 N ATOM 706 CA ASP A 47 0.035 17.348 3.439 1.00 0.00 C ATOM 707 C ASP A 47 0.010 15.885 2.990 1.00 0.00 C ATOM 708 O ASP A 47 -1.054 15.269 2.943 1.00 0.00 O ATOM 709 CB ASP A 47 -0.584 18.281 2.399 1.00 0.00 C ATOM 710 CG ASP A 47 -2.068 18.003 2.170 1.00 0.00 C ATOM 711 OD1 ASP A 47 -2.457 17.940 0.984 1.00 0.00 O ATOM 712 OD2 ASP A 47 -2.799 17.857 3.174 1.00 0.00 O ATOM 0 H ASP A 47 1.903 18.070 2.857 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.556 17.395 4.354 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.457 19.314 2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.048 18.174 1.456 1.00 0.00 H new ATOM 717 N GLY A 48 1.177 15.324 2.656 1.00 0.00 N ATOM 718 CA GLY A 48 1.294 13.940 2.222 1.00 0.00 C ATOM 719 C GLY A 48 0.750 13.739 0.809 1.00 0.00 C ATOM 720 O GLY A 48 0.487 14.701 0.088 1.00 0.00 O ATOM 0 H GLY A 48 2.066 15.824 2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.340 13.636 2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.753 13.295 2.915 1.00 0.00 H new ATOM 724 N GLY A 49 0.581 12.473 0.413 1.00 0.00 N ATOM 725 CA GLY A 49 0.086 12.128 -0.913 1.00 0.00 C ATOM 726 C GLY A 49 1.186 12.192 -1.975 1.00 0.00 C ATOM 727 O GLY A 49 0.892 12.139 -3.170 1.00 0.00 O ATOM 0 H GLY A 49 0.784 11.666 1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.338 11.124 -0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.721 12.808 -1.186 1.00 0.00 H new ATOM 731 N ILE A 50 2.447 12.311 -1.550 1.00 0.00 N ATOM 732 CA ILE A 50 3.595 12.397 -2.444 1.00 0.00 C ATOM 733 C ILE A 50 4.694 11.470 -1.925 1.00 0.00 C ATOM 734 O ILE A 50 4.807 11.284 -0.714 1.00 0.00 O ATOM 735 CB ILE A 50 4.077 13.853 -2.525 1.00 0.00 C ATOM 736 CG1 ILE A 50 2.894 14.773 -2.870 1.00 0.00 C ATOM 737 CG2 ILE A 50 5.194 13.990 -3.565 1.00 0.00 C ATOM 738 CD1 ILE A 50 3.310 16.230 -3.061 1.00 0.00 C ATOM 0 H ILE A 50 2.698 12.350 -0.562 1.00 0.00 H new ATOM 0 HA ILE A 50 3.321 12.081 -3.451 1.00 0.00 H new ATOM 0 HB ILE A 50 4.480 14.149 -1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.415 14.415 -3.781 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.151 14.714 -2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.524 15.028 -3.610 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.033 13.354 -3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.820 13.686 -4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.433 16.830 -3.302 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.763 16.603 -2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.032 16.299 -3.875 1.00 0.00 H new ATOM 750 N ASP A 51 5.502 10.889 -2.821 1.00 0.00 N ATOM 751 CA ASP A 51 6.570 9.985 -2.408 1.00 0.00 C ATOM 752 C ASP A 51 7.944 10.458 -2.881 1.00 0.00 C ATOM 753 O ASP A 51 8.959 10.030 -2.331 1.00 0.00 O ATOM 754 CB ASP A 51 6.290 8.579 -2.943 1.00 0.00 C ATOM 755 CG ASP A 51 6.989 7.529 -2.081 1.00 0.00 C ATOM 756 OD1 ASP A 51 6.572 7.383 -0.909 1.00 0.00 O ATOM 757 OD2 ASP A 51 7.925 6.881 -2.593 1.00 0.00 O ATOM 0 H ASP A 51 5.433 11.031 -3.829 1.00 0.00 H new ATOM 0 HA ASP A 51 6.588 9.973 -1.318 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.216 8.394 -2.952 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.635 8.500 -3.974 1.00 0.00 H new ATOM 762 N ALA A 52 7.985 11.329 -3.894 1.00 0.00 N ATOM 763 CA ALA A 52 9.233 11.869 -4.414 1.00 0.00 C ATOM 764 C ALA A 52 8.971 13.183 -5.148 1.00 0.00 C ATOM 765 O ALA A 52 7.824 13.530 -5.415 1.00 0.00 O ATOM 766 CB ALA A 52 9.868 10.845 -5.354 1.00 0.00 C ATOM 0 H ALA A 52 7.153 11.675 -4.372 1.00 0.00 H new ATOM 0 HA ALA A 52 9.917 12.071 -3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.803 11.243 -5.747 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.067 9.923 -4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.187 10.637 -6.179 1.00 0.00 H new ATOM 772 N ALA A 53 10.036 13.916 -5.478 1.00 0.00 N ATOM 773 CA ALA A 53 9.906 15.182 -6.185 1.00 0.00 C ATOM 774 C ALA A 53 11.143 15.481 -7.029 1.00 0.00 C ATOM 775 O ALA A 53 12.189 14.858 -6.855 1.00 0.00 O ATOM 776 CB ALA A 53 9.686 16.297 -5.163 1.00 0.00 C ATOM 0 H ALA A 53 10.997 13.650 -5.265 1.00 0.00 H new ATOM 0 HA ALA A 53 9.055 15.119 -6.863 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.587 17.251 -5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.777 16.096 -4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.537 16.340 -4.483 1.00 0.00 H new ATOM 782 N ILE A 54 11.020 16.446 -7.945 1.00 0.00 N ATOM 783 CA ILE A 54 12.134 16.923 -8.757 1.00 0.00 C ATOM 784 C ILE A 54 12.333 18.403 -8.458 1.00 0.00 C ATOM 785 O ILE A 54 11.378 19.175 -8.502 1.00 0.00 O ATOM 786 CB ILE A 54 11.864 16.663 -10.246 1.00 0.00 C ATOM 787 CG1 ILE A 54 11.666 15.161 -10.490 1.00 0.00 C ATOM 788 CG2 ILE A 54 13.041 17.191 -11.072 1.00 0.00 C ATOM 789 CD1 ILE A 54 11.342 14.849 -11.950 1.00 0.00 C ATOM 0 H ILE A 54 10.138 16.919 -8.142 1.00 0.00 H new ATOM 0 HA ILE A 54 13.050 16.385 -8.512 1.00 0.00 H new ATOM 0 HB ILE A 54 10.954 17.182 -10.549 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.569 14.625 -10.198 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.859 14.795 -9.855 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.854 17.009 -12.130 1.00 0.00 H new ATOM 0 HG22 ILE A 54 13.153 18.262 -10.903 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.955 16.679 -10.772 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.211 13.774 -12.072 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.424 15.361 -12.236 1.00 0.00 H new ATOM 0 HD13 ILE A 54 12.160 15.189 -12.585 1.00 0.00 H new ATOM 801 N LEU A 55 13.575 18.794 -8.151 1.00 0.00 N ATOM 802 CA LEU A 55 13.886 20.137 -7.681 1.00 0.00 C ATOM 803 C LEU A 55 14.759 20.882 -8.688 1.00 0.00 C ATOM 804 O LEU A 55 15.773 20.361 -9.145 1.00 0.00 O ATOM 805 CB LEU A 55 14.616 20.055 -6.334 1.00 0.00 C ATOM 806 CG LEU A 55 13.729 19.837 -5.103 1.00 0.00 C ATOM 807 CD1 LEU A 55 12.840 21.053 -4.859 1.00 0.00 C ATOM 808 CD2 LEU A 55 12.846 18.594 -5.215 1.00 0.00 C ATOM 0 H LEU A 55 14.389 18.184 -8.223 1.00 0.00 H new ATOM 0 HA LEU A 55 12.950 20.684 -7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.340 19.242 -6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.181 20.977 -6.192 1.00 0.00 H new ATOM 0 HG LEU A 55 14.410 19.689 -4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.218 20.879 -3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.463 21.932 -4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.203 21.218 -5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.242 18.494 -4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.191 18.690 -6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.474 17.711 -5.330 1.00 0.00 H new ATOM 820 N ASP A 56 14.360 22.110 -9.030 1.00 0.00 N ATOM 821 CA ASP A 56 15.183 23.002 -9.832 1.00 0.00 C ATOM 822 C ASP A 56 16.116 23.802 -8.929 1.00 0.00 C ATOM 823 O ASP A 56 15.678 24.356 -7.920 1.00 0.00 O ATOM 824 CB ASP A 56 14.274 23.929 -10.637 1.00 0.00 C ATOM 825 CG ASP A 56 15.081 24.987 -11.384 1.00 0.00 C ATOM 826 OD1 ASP A 56 16.124 24.617 -11.968 1.00 0.00 O ATOM 827 OD2 ASP A 56 14.648 26.159 -11.366 1.00 0.00 O ATOM 0 H ASP A 56 13.461 22.507 -8.757 1.00 0.00 H new ATOM 0 HA ASP A 56 15.797 22.422 -10.521 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.692 23.343 -11.349 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.564 24.415 -9.969 1.00 0.00 H new ATOM 832 N VAL A 57 17.403 23.863 -9.286 1.00 0.00 N ATOM 833 CA VAL A 57 18.397 24.619 -8.530 1.00 0.00 C ATOM 834 C VAL A 57 18.644 25.986 -9.173 1.00 0.00 C ATOM 835 O VAL A 57 19.282 26.853 -8.581 1.00 0.00 O ATOM 836 CB VAL A 57 19.671 23.777 -8.371 1.00 0.00 C ATOM 837 CG1 VAL A 57 20.396 23.592 -9.701 1.00 0.00 C ATOM 838 CG2 VAL A 57 20.633 24.418 -7.369 1.00 0.00 C ATOM 0 H VAL A 57 17.781 23.389 -10.106 1.00 0.00 H new ATOM 0 HA VAL A 57 18.024 24.827 -7.527 1.00 0.00 H new ATOM 0 HB VAL A 57 19.355 22.801 -8.002 1.00 0.00 H new ATOM 0 HG11 VAL A 57 21.292 22.991 -9.546 1.00 0.00 H new ATOM 0 HG12 VAL A 57 19.737 23.086 -10.407 1.00 0.00 H new ATOM 0 HG13 VAL A 57 20.677 24.566 -10.101 1.00 0.00 H new ATOM 0 HG21 VAL A 57 21.526 23.800 -7.276 1.00 0.00 H new ATOM 0 HG22 VAL A 57 20.913 25.412 -7.718 1.00 0.00 H new ATOM 0 HG23 VAL A 57 20.146 24.499 -6.397 1.00 0.00 H new ATOM 848 N ASN A 58 18.130 26.183 -10.394 1.00 0.00 N ATOM 849 CA ASN A 58 18.277 27.425 -11.145 1.00 0.00 C ATOM 850 C ASN A 58 17.194 28.441 -10.750 1.00 0.00 C ATOM 851 O ASN A 58 16.829 29.310 -11.540 1.00 0.00 O ATOM 852 CB ASN A 58 18.284 27.097 -12.643 1.00 0.00 C ATOM 853 CG ASN A 58 18.691 28.292 -13.498 1.00 0.00 C ATOM 854 OD1 ASN A 58 17.888 28.836 -14.254 1.00 0.00 O ATOM 855 ND2 ASN A 58 19.946 28.713 -13.387 1.00 0.00 N ATOM 0 H ASN A 58 17.594 25.471 -10.890 1.00 0.00 H new ATOM 0 HA ASN A 58 19.226 27.904 -10.902 1.00 0.00 H new ATOM 0 HB2 ASN A 58 18.970 26.271 -12.828 1.00 0.00 H new ATOM 0 HB3 ASN A 58 17.292 26.760 -12.943 1.00 0.00 H new ATOM 0 HD21 ASN A 58 20.268 29.509 -13.938 1.00 0.00 H new ATOM 0 HD22 ASN A 58 20.588 28.240 -12.751 1.00 0.00 H new ATOM 862 N LEU A 59 16.676 28.328 -9.522 1.00 0.00 N ATOM 863 CA LEU A 59 15.613 29.179 -9.013 1.00 0.00 C ATOM 864 C LEU A 59 16.035 30.649 -9.024 1.00 0.00 C ATOM 865 O LEU A 59 17.213 30.963 -8.862 1.00 0.00 O ATOM 866 CB LEU A 59 15.262 28.708 -7.593 1.00 0.00 C ATOM 867 CG LEU A 59 14.054 29.432 -6.990 1.00 0.00 C ATOM 868 CD1 LEU A 59 12.783 29.154 -7.789 1.00 0.00 C ATOM 869 CD2 LEU A 59 13.841 28.944 -5.560 1.00 0.00 C ATOM 0 H LEU A 59 16.993 27.630 -8.849 1.00 0.00 H new ATOM 0 HA LEU A 59 14.734 29.101 -9.653 1.00 0.00 H new ATOM 0 HB2 LEU A 59 15.061 27.637 -7.613 1.00 0.00 H new ATOM 0 HB3 LEU A 59 16.126 28.858 -6.945 1.00 0.00 H new ATOM 0 HG LEU A 59 14.256 30.503 -7.012 1.00 0.00 H new ATOM 0 HD11 LEU A 59 11.945 29.682 -7.335 1.00 0.00 H new ATOM 0 HD12 LEU A 59 12.916 29.498 -8.815 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.580 28.083 -7.789 1.00 0.00 H new ATOM 0 HD21 LEU A 59 12.982 29.456 -5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.658 27.869 -5.566 1.00 0.00 H new ATOM 0 HD23 LEU A 59 14.730 29.158 -4.966 1.00 0.00 H new ATOM 881 N ARG A 60 15.065 31.548 -9.217 1.00 0.00 N ATOM 882 CA ARG A 60 15.289 32.987 -9.264 1.00 0.00 C ATOM 883 C ARG A 60 15.834 33.529 -7.941 1.00 0.00 C ATOM 884 O ARG A 60 15.593 32.958 -6.876 1.00 0.00 O ATOM 885 CB ARG A 60 13.993 33.700 -9.654 1.00 0.00 C ATOM 886 CG ARG A 60 12.898 33.493 -8.600 1.00 0.00 C ATOM 887 CD ARG A 60 11.578 34.102 -9.074 1.00 0.00 C ATOM 888 NE ARG A 60 11.055 33.386 -10.244 1.00 0.00 N ATOM 889 CZ ARG A 60 10.017 33.799 -10.975 1.00 0.00 C ATOM 890 NH1 ARG A 60 9.386 34.933 -10.681 1.00 0.00 N ATOM 891 NH2 ARG A 60 9.603 33.073 -12.006 1.00 0.00 N ATOM 0 H ARG A 60 14.088 31.287 -9.347 1.00 0.00 H new ATOM 0 HA ARG A 60 16.049 33.184 -10.020 1.00 0.00 H new ATOM 0 HB2 ARG A 60 14.185 34.766 -9.776 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.647 33.327 -10.618 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.766 32.428 -8.408 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.200 33.952 -7.658 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.847 34.067 -8.266 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.728 35.152 -9.324 1.00 0.00 H new ATOM 0 HE ARG A 60 11.514 32.517 -10.516 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.694 35.498 -9.889 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.594 35.238 -11.247 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.078 32.201 -12.239 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.810 33.387 -12.565 1.00 0.00 H new ATOM 905 N GLY A 61 16.573 34.635 -8.025 1.00 0.00 N ATOM 906 CA GLY A 61 17.167 35.282 -6.866 1.00 0.00 C ATOM 907 C GLY A 61 18.651 34.946 -6.740 1.00 0.00 C ATOM 908 O GLY A 61 19.242 34.346 -7.637 1.00 0.00 O ATOM 0 H GLY A 61 16.775 35.106 -8.907 1.00 0.00 H new ATOM 0 HA2 GLY A 61 17.042 36.362 -6.947 1.00 0.00 H new ATOM 0 HA3 GLY A 61 16.643 34.967 -5.963 1.00 0.00 H new ATOM 912 N GLY A 62 19.253 35.339 -5.613 1.00 0.00 N ATOM 913 CA GLY A 62 20.667 35.111 -5.347 1.00 0.00 C ATOM 914 C GLY A 62 20.964 33.666 -4.944 1.00 0.00 C ATOM 915 O GLY A 62 22.114 33.331 -4.669 1.00 0.00 O ATOM 0 H GLY A 62 18.767 35.826 -4.860 1.00 0.00 H new ATOM 0 HA2 GLY A 62 21.245 35.363 -6.236 1.00 0.00 H new ATOM 0 HA3 GLY A 62 20.996 35.781 -4.553 1.00 0.00 H new ATOM 919 N GLU A 63 19.942 32.803 -4.904 1.00 0.00 N ATOM 920 CA GLU A 63 20.118 31.412 -4.515 1.00 0.00 C ATOM 921 C GLU A 63 20.781 30.615 -5.635 1.00 0.00 C ATOM 922 O GLU A 63 20.542 30.865 -6.816 1.00 0.00 O ATOM 923 CB GLU A 63 18.766 30.796 -4.150 1.00 0.00 C ATOM 924 CG GLU A 63 18.108 31.529 -2.977 1.00 0.00 C ATOM 925 CD GLU A 63 18.991 31.503 -1.730 1.00 0.00 C ATOM 926 OE1 GLU A 63 19.367 32.602 -1.259 1.00 0.00 O ATOM 927 OE2 GLU A 63 19.287 30.383 -1.255 1.00 0.00 O ATOM 0 H GLU A 63 18.981 33.053 -5.139 1.00 0.00 H new ATOM 0 HA GLU A 63 20.770 31.376 -3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 63 18.105 30.829 -5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 63 18.902 29.746 -3.893 1.00 0.00 H new ATOM 0 HG2 GLU A 63 17.907 32.562 -3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.146 31.067 -2.752 1.00 0.00 H new ATOM 934 N LYS A 64 21.622 29.647 -5.250 1.00 0.00 N ATOM 935 CA LYS A 64 22.337 28.778 -6.181 1.00 0.00 C ATOM 936 C LYS A 64 22.385 27.342 -5.657 1.00 0.00 C ATOM 937 O LYS A 64 23.168 26.527 -6.145 1.00 0.00 O ATOM 938 CB LYS A 64 23.753 29.318 -6.425 1.00 0.00 C ATOM 939 CG LYS A 64 23.720 30.700 -7.084 1.00 0.00 C ATOM 940 CD LYS A 64 25.133 31.181 -7.426 1.00 0.00 C ATOM 941 CE LYS A 64 25.975 31.334 -6.160 1.00 0.00 C ATOM 942 NZ LYS A 64 27.321 31.846 -6.474 1.00 0.00 N ATOM 0 H LYS A 64 21.825 29.446 -4.271 1.00 0.00 H new ATOM 0 HA LYS A 64 21.800 28.769 -7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 64 24.289 29.378 -5.478 1.00 0.00 H new ATOM 0 HB3 LYS A 64 24.304 28.624 -7.060 1.00 0.00 H new ATOM 0 HG2 LYS A 64 23.117 30.660 -7.991 1.00 0.00 H new ATOM 0 HG3 LYS A 64 23.241 31.414 -6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 64 25.610 30.471 -8.102 1.00 0.00 H new ATOM 0 HD3 LYS A 64 25.080 32.135 -7.951 1.00 0.00 H new ATOM 0 HE2 LYS A 64 25.477 32.013 -5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 64 26.058 30.371 -5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 27.870 31.940 -5.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 27.803 31.184 -7.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 27.240 32.776 -6.933 1.00 0.00 H new ATOM 956 N SER A 65 21.548 27.034 -4.662 1.00 0.00 N ATOM 957 CA SER A 65 21.509 25.727 -4.022 1.00 0.00 C ATOM 958 C SER A 65 20.089 25.411 -3.565 1.00 0.00 C ATOM 959 O SER A 65 19.232 26.294 -3.525 1.00 0.00 O ATOM 960 CB SER A 65 22.478 25.723 -2.838 1.00 0.00 C ATOM 961 OG SER A 65 22.521 24.443 -2.244 1.00 0.00 O ATOM 0 H SER A 65 20.874 27.696 -4.278 1.00 0.00 H new ATOM 0 HA SER A 65 21.812 24.957 -4.731 1.00 0.00 H new ATOM 0 HB2 SER A 65 23.475 26.009 -3.174 1.00 0.00 H new ATOM 0 HB3 SER A 65 22.166 26.463 -2.101 1.00 0.00 H new ATOM 0 HG SER A 65 22.476 23.757 -2.942 1.00 0.00 H new ATOM 967 N THR A 66 19.841 24.146 -3.214 1.00 0.00 N ATOM 968 CA THR A 66 18.536 23.672 -2.768 1.00 0.00 C ATOM 969 C THR A 66 18.705 22.849 -1.491 1.00 0.00 C ATOM 970 O THR A 66 18.547 21.630 -1.515 1.00 0.00 O ATOM 971 CB THR A 66 17.863 22.862 -3.881 1.00 0.00 C ATOM 972 OG1 THR A 66 17.905 23.577 -5.093 1.00 0.00 O ATOM 973 CG2 THR A 66 16.398 22.590 -3.537 1.00 0.00 C ATOM 0 H THR A 66 20.553 23.416 -3.233 1.00 0.00 H new ATOM 0 HA THR A 66 17.889 24.520 -2.543 1.00 0.00 H new ATOM 0 HB THR A 66 18.400 21.919 -3.980 1.00 0.00 H new ATOM 0 HG1 THR A 66 17.474 23.051 -5.798 1.00 0.00 H new ATOM 0 HG21 THR A 66 15.937 22.014 -4.339 1.00 0.00 H new ATOM 0 HG22 THR A 66 16.342 22.026 -2.606 1.00 0.00 H new ATOM 0 HG23 THR A 66 15.870 23.536 -3.420 1.00 0.00 H new ATOM 981 N PRO A 67 19.028 23.497 -0.364 1.00 0.00 N ATOM 982 CA PRO A 67 19.271 22.832 0.908 1.00 0.00 C ATOM 983 C PRO A 67 17.989 22.241 1.499 1.00 0.00 C ATOM 984 O PRO A 67 18.053 21.465 2.451 1.00 0.00 O ATOM 985 CB PRO A 67 19.853 23.917 1.814 1.00 0.00 C ATOM 986 CG PRO A 67 19.211 25.195 1.271 1.00 0.00 C ATOM 987 CD PRO A 67 19.181 24.935 -0.233 1.00 0.00 C ATOM 0 HA PRO A 67 19.948 21.985 0.794 1.00 0.00 H new ATOM 0 HB2 PRO A 67 19.598 23.750 2.860 1.00 0.00 H new ATOM 0 HB3 PRO A 67 20.941 23.954 1.753 1.00 0.00 H new ATOM 0 HG2 PRO A 67 18.211 25.351 1.676 1.00 0.00 H new ATOM 0 HG3 PRO A 67 19.797 26.080 1.518 1.00 0.00 H new ATOM 0 HD2 PRO A 67 18.355 25.464 -0.708 1.00 0.00 H new ATOM 0 HD3 PRO A 67 20.098 25.279 -0.711 1.00 0.00 H new ATOM 995 N VAL A 68 16.824 22.594 0.947 1.00 0.00 N ATOM 996 CA VAL A 68 15.549 22.061 1.416 1.00 0.00 C ATOM 997 C VAL A 68 15.382 20.611 0.960 1.00 0.00 C ATOM 998 O VAL A 68 14.581 19.867 1.521 1.00 0.00 O ATOM 999 CB VAL A 68 14.408 22.946 0.903 1.00 0.00 C ATOM 1000 CG1 VAL A 68 13.048 22.477 1.422 1.00 0.00 C ATOM 1001 CG2 VAL A 68 14.613 24.391 1.369 1.00 0.00 C ATOM 0 H VAL A 68 16.742 23.251 0.171 1.00 0.00 H new ATOM 0 HA VAL A 68 15.526 22.067 2.506 1.00 0.00 H new ATOM 0 HB VAL A 68 14.420 22.880 -0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.266 23.131 1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.864 21.455 1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.043 22.510 2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.797 25.012 0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.629 24.423 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.560 24.767 0.981 1.00 0.00 H new ATOM 1011 N ALA A 69 16.140 20.196 -0.061 1.00 0.00 N ATOM 1012 CA ALA A 69 16.083 18.824 -0.538 1.00 0.00 C ATOM 1013 C ALA A 69 16.606 17.880 0.541 1.00 0.00 C ATOM 1014 O ALA A 69 16.228 16.714 0.586 1.00 0.00 O ATOM 1015 CB ALA A 69 16.930 18.709 -1.806 1.00 0.00 C ATOM 0 H ALA A 69 16.795 20.793 -0.566 1.00 0.00 H new ATOM 0 HA ALA A 69 15.053 18.549 -0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.896 17.684 -2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.537 19.382 -2.568 1.00 0.00 H new ATOM 0 HB3 ALA A 69 17.962 18.979 -1.580 1.00 0.00 H new ATOM 1021 N GLU A 70 17.475 18.380 1.423 1.00 0.00 N ATOM 1022 CA GLU A 70 18.044 17.577 2.490 1.00 0.00 C ATOM 1023 C GLU A 70 17.022 17.366 3.606 1.00 0.00 C ATOM 1024 O GLU A 70 17.180 16.462 4.422 1.00 0.00 O ATOM 1025 CB GLU A 70 19.317 18.249 2.999 1.00 0.00 C ATOM 1026 CG GLU A 70 20.350 18.331 1.871 1.00 0.00 C ATOM 1027 CD GLU A 70 21.587 19.097 2.331 1.00 0.00 C ATOM 1028 OE1 GLU A 70 22.309 18.559 3.199 1.00 0.00 O ATOM 1029 OE2 GLU A 70 21.811 20.214 1.816 1.00 0.00 O ATOM 0 H GLU A 70 17.798 19.348 1.412 1.00 0.00 H new ATOM 0 HA GLU A 70 18.306 16.589 2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 70 19.088 19.249 3.368 1.00 0.00 H new ATOM 0 HB3 GLU A 70 19.726 17.686 3.838 1.00 0.00 H new ATOM 0 HG2 GLU A 70 20.634 17.327 1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 70 19.911 18.825 1.004 1.00 0.00 H new ATOM 1036 N ALA A 71 15.970 18.191 3.650 1.00 0.00 N ATOM 1037 CA ALA A 71 14.883 17.974 4.586 1.00 0.00 C ATOM 1038 C ALA A 71 13.983 16.863 4.044 1.00 0.00 C ATOM 1039 O ALA A 71 13.394 16.102 4.810 1.00 0.00 O ATOM 1040 CB ALA A 71 14.110 19.280 4.787 1.00 0.00 C ATOM 0 H ALA A 71 15.857 19.007 3.049 1.00 0.00 H new ATOM 0 HA ALA A 71 15.268 17.665 5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 71 13.294 19.115 5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 71 14.781 20.043 5.182 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.704 19.613 3.832 1.00 0.00 H new ATOM 1046 N LEU A 72 13.879 16.760 2.713 1.00 0.00 N ATOM 1047 CA LEU A 72 13.143 15.665 2.100 1.00 0.00 C ATOM 1048 C LEU A 72 13.894 14.360 2.353 1.00 0.00 C ATOM 1049 O LEU A 72 13.268 13.318 2.523 1.00 0.00 O ATOM 1050 CB LEU A 72 12.974 15.919 0.599 1.00 0.00 C ATOM 1051 CG LEU A 72 12.240 17.232 0.301 1.00 0.00 C ATOM 1052 CD1 LEU A 72 12.081 17.383 -1.209 1.00 0.00 C ATOM 1053 CD2 LEU A 72 10.856 17.254 0.943 1.00 0.00 C ATOM 0 H LEU A 72 14.293 17.418 2.052 1.00 0.00 H new ATOM 0 HA LEU A 72 12.148 15.594 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.955 15.940 0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.423 15.090 0.154 1.00 0.00 H new ATOM 0 HG LEU A 72 12.828 18.052 0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.560 18.315 -1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 72 13.064 17.398 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.505 16.544 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.363 18.198 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.261 16.429 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.954 17.151 2.024 1.00 0.00 H new ATOM 1065 N ALA A 73 15.230 14.412 2.384 1.00 0.00 N ATOM 1066 CA ALA A 73 16.041 13.245 2.689 1.00 0.00 C ATOM 1067 C ALA A 73 15.934 12.885 4.172 1.00 0.00 C ATOM 1068 O ALA A 73 16.192 11.744 4.549 1.00 0.00 O ATOM 1069 CB ALA A 73 17.492 13.531 2.300 1.00 0.00 C ATOM 0 H ALA A 73 15.768 15.259 2.199 1.00 0.00 H new ATOM 0 HA ALA A 73 15.678 12.391 2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.108 12.660 2.526 1.00 0.00 H new ATOM 0 HB2 ALA A 73 17.547 13.748 1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.857 14.389 2.864 1.00 0.00 H new ATOM 1075 N ALA A 74 15.548 13.854 5.009 1.00 0.00 N ATOM 1076 CA ALA A 74 15.303 13.624 6.426 1.00 0.00 C ATOM 1077 C ALA A 74 13.886 13.094 6.654 1.00 0.00 C ATOM 1078 O ALA A 74 13.540 12.716 7.771 1.00 0.00 O ATOM 1079 CB ALA A 74 15.556 14.919 7.200 1.00 0.00 C ATOM 0 H ALA A 74 15.398 14.820 4.717 1.00 0.00 H new ATOM 0 HA ALA A 74 15.989 12.862 6.794 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.373 14.750 8.261 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.590 15.233 7.055 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.886 15.697 6.836 1.00 0.00 H new ATOM 1085 N ARG A 75 13.069 13.063 5.594 1.00 0.00 N ATOM 1086 CA ARG A 75 11.735 12.477 5.618 1.00 0.00 C ATOM 1087 C ARG A 75 11.649 11.253 4.705 1.00 0.00 C ATOM 1088 O ARG A 75 10.556 10.800 4.385 1.00 0.00 O ATOM 1089 CB ARG A 75 10.685 13.535 5.260 1.00 0.00 C ATOM 1090 CG ARG A 75 10.665 14.682 6.277 1.00 0.00 C ATOM 1091 CD ARG A 75 10.258 14.192 7.669 1.00 0.00 C ATOM 1092 NE ARG A 75 10.257 15.299 8.633 1.00 0.00 N ATOM 1093 CZ ARG A 75 11.280 15.604 9.439 1.00 0.00 C ATOM 1094 NH1 ARG A 75 12.403 14.888 9.425 1.00 0.00 N ATOM 1095 NH2 ARG A 75 11.180 16.639 10.270 1.00 0.00 N ATOM 0 H ARG A 75 13.325 13.451 4.686 1.00 0.00 H new ATOM 0 HA ARG A 75 11.527 12.128 6.630 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.894 13.933 4.267 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.700 13.070 5.217 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.652 15.143 6.327 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.970 15.453 5.944 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.266 13.742 7.625 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.947 13.415 8.001 1.00 0.00 H new ATOM 0 HE ARG A 75 9.418 15.876 8.692 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.493 14.093 8.793 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.173 15.135 10.047 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.326 17.196 10.290 1.00 0.00 H new ATOM 0 HH22 ARG A 75 11.958 16.875 10.886 1.00 0.00 H new ATOM 1109 N ASP A 76 12.804 10.724 4.290 1.00 0.00 N ATOM 1110 CA ASP A 76 12.907 9.563 3.415 1.00 0.00 C ATOM 1111 C ASP A 76 12.151 9.743 2.091 1.00 0.00 C ATOM 1112 O ASP A 76 11.558 8.799 1.571 1.00 0.00 O ATOM 1113 CB ASP A 76 12.522 8.291 4.178 1.00 0.00 C ATOM 1114 CG ASP A 76 12.900 7.022 3.413 1.00 0.00 C ATOM 1115 OD1 ASP A 76 12.062 6.094 3.379 1.00 0.00 O ATOM 1116 OD2 ASP A 76 14.025 6.985 2.869 1.00 0.00 O ATOM 0 H ASP A 76 13.711 11.103 4.562 1.00 0.00 H new ATOM 0 HA ASP A 76 13.949 9.456 3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.016 8.288 5.149 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.448 8.293 4.367 1.00 0.00 H new ATOM 1121 N ILE A 77 12.171 10.966 1.549 1.00 0.00 N ATOM 1122 CA ILE A 77 11.576 11.301 0.261 1.00 0.00 C ATOM 1123 C ILE A 77 12.706 11.571 -0.737 1.00 0.00 C ATOM 1124 O ILE A 77 13.381 12.595 -0.631 1.00 0.00 O ATOM 1125 CB ILE A 77 10.657 12.519 0.428 1.00 0.00 C ATOM 1126 CG1 ILE A 77 9.465 12.128 1.310 1.00 0.00 C ATOM 1127 CG2 ILE A 77 10.164 13.022 -0.936 1.00 0.00 C ATOM 1128 CD1 ILE A 77 8.549 13.319 1.592 1.00 0.00 C ATOM 0 H ILE A 77 12.612 11.763 2.007 1.00 0.00 H new ATOM 0 HA ILE A 77 10.968 10.479 -0.117 1.00 0.00 H new ATOM 0 HB ILE A 77 11.217 13.326 0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.894 11.339 0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.829 11.719 2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.514 13.885 -0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.019 13.309 -1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.608 12.229 -1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.718 12.998 2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.112 14.098 2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.163 13.712 0.651 1.00 0.00 H new ATOM 1140 N PRO A 78 12.929 10.673 -1.707 1.00 0.00 N ATOM 1141 CA PRO A 78 13.948 10.830 -2.736 1.00 0.00 C ATOM 1142 C PRO A 78 13.719 12.076 -3.591 1.00 0.00 C ATOM 1143 O PRO A 78 12.590 12.556 -3.719 1.00 0.00 O ATOM 1144 CB PRO A 78 13.870 9.566 -3.593 1.00 0.00 C ATOM 1145 CG PRO A 78 13.201 8.543 -2.679 1.00 0.00 C ATOM 1146 CD PRO A 78 12.239 9.410 -1.874 1.00 0.00 C ATOM 0 HA PRO A 78 14.931 10.960 -2.284 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.288 9.733 -4.499 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.860 9.234 -3.907 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.678 7.772 -3.245 1.00 0.00 H new ATOM 0 HG3 PRO A 78 13.923 8.035 -2.040 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.293 9.543 -2.399 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.008 8.955 -0.911 1.00 0.00 H new ATOM 1154 N PHE A 79 14.796 12.599 -4.180 1.00 0.00 N ATOM 1155 CA PHE A 79 14.724 13.759 -5.051 1.00 0.00 C ATOM 1156 C PHE A 79 15.777 13.689 -6.153 1.00 0.00 C ATOM 1157 O PHE A 79 16.719 12.900 -6.076 1.00 0.00 O ATOM 1158 CB PHE A 79 14.881 15.041 -4.227 1.00 0.00 C ATOM 1159 CG PHE A 79 16.222 15.196 -3.540 1.00 0.00 C ATOM 1160 CD1 PHE A 79 17.357 15.557 -4.283 1.00 0.00 C ATOM 1161 CD2 PHE A 79 16.331 14.991 -2.157 1.00 0.00 C ATOM 1162 CE1 PHE A 79 18.593 15.716 -3.645 1.00 0.00 C ATOM 1163 CE2 PHE A 79 17.563 15.169 -1.517 1.00 0.00 C ATOM 1164 CZ PHE A 79 18.692 15.533 -2.259 1.00 0.00 C ATOM 0 H PHE A 79 15.738 12.226 -4.063 1.00 0.00 H new ATOM 0 HA PHE A 79 13.746 13.768 -5.533 1.00 0.00 H new ATOM 0 HB2 PHE A 79 14.723 15.898 -4.882 1.00 0.00 H new ATOM 0 HB3 PHE A 79 14.096 15.068 -3.471 1.00 0.00 H new ATOM 0 HD1 PHE A 79 17.277 15.712 -5.349 1.00 0.00 H new ATOM 0 HD2 PHE A 79 15.464 14.696 -1.585 1.00 0.00 H new ATOM 0 HE1 PHE A 79 19.469 15.979 -4.220 1.00 0.00 H new ATOM 0 HE2 PHE A 79 17.642 15.025 -0.450 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.641 15.673 -1.763 1.00 0.00 H new ATOM 1174 N VAL A 80 15.603 14.530 -7.180 1.00 0.00 N ATOM 1175 CA VAL A 80 16.531 14.669 -8.297 1.00 0.00 C ATOM 1176 C VAL A 80 16.677 16.151 -8.620 1.00 0.00 C ATOM 1177 O VAL A 80 15.713 16.904 -8.496 1.00 0.00 O ATOM 1178 CB VAL A 80 16.012 13.887 -9.510 1.00 0.00 C ATOM 1179 CG1 VAL A 80 16.884 14.140 -10.745 1.00 0.00 C ATOM 1180 CG2 VAL A 80 16.014 12.386 -9.223 1.00 0.00 C ATOM 0 H VAL A 80 14.792 15.145 -7.254 1.00 0.00 H new ATOM 0 HA VAL A 80 17.507 14.261 -8.034 1.00 0.00 H new ATOM 0 HB VAL A 80 14.996 14.231 -9.703 1.00 0.00 H new ATOM 0 HG11 VAL A 80 16.492 13.573 -11.589 1.00 0.00 H new ATOM 0 HG12 VAL A 80 16.874 15.203 -10.986 1.00 0.00 H new ATOM 0 HG13 VAL A 80 17.907 13.824 -10.539 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.643 11.848 -10.095 1.00 0.00 H new ATOM 0 HG22 VAL A 80 17.030 12.059 -9.001 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.371 12.178 -8.368 1.00 0.00 H new ATOM 1190 N PHE A 81 17.876 16.574 -9.036 1.00 0.00 N ATOM 1191 CA PHE A 81 18.129 17.969 -9.360 1.00 0.00 C ATOM 1192 C PHE A 81 17.942 18.235 -10.853 1.00 0.00 C ATOM 1193 O PHE A 81 18.103 17.342 -11.684 1.00 0.00 O ATOM 1194 CB PHE A 81 19.534 18.372 -8.909 1.00 0.00 C ATOM 1195 CG PHE A 81 19.778 18.348 -7.415 1.00 0.00 C ATOM 1196 CD1 PHE A 81 18.837 18.885 -6.520 1.00 0.00 C ATOM 1197 CD2 PHE A 81 20.970 17.795 -6.922 1.00 0.00 C ATOM 1198 CE1 PHE A 81 19.091 18.873 -5.142 1.00 0.00 C ATOM 1199 CE2 PHE A 81 21.226 17.788 -5.542 1.00 0.00 C ATOM 1200 CZ PHE A 81 20.289 18.332 -4.652 1.00 0.00 C ATOM 0 H PHE A 81 18.684 15.963 -9.154 1.00 0.00 H new ATOM 0 HA PHE A 81 17.402 18.579 -8.823 1.00 0.00 H new ATOM 0 HB2 PHE A 81 20.253 17.707 -9.386 1.00 0.00 H new ATOM 0 HB3 PHE A 81 19.738 19.378 -9.275 1.00 0.00 H new ATOM 0 HD1 PHE A 81 17.917 19.308 -6.895 1.00 0.00 H new ATOM 0 HD2 PHE A 81 21.692 17.374 -7.606 1.00 0.00 H new ATOM 0 HE1 PHE A 81 18.363 19.281 -4.456 1.00 0.00 H new ATOM 0 HE2 PHE A 81 22.145 17.363 -5.166 1.00 0.00 H new ATOM 0 HZ PHE A 81 20.489 18.335 -3.591 1.00 0.00 H new ATOM 1210 N ALA A 82 17.601 19.479 -11.189 1.00 0.00 N ATOM 1211 CA ALA A 82 17.460 19.918 -12.567 1.00 0.00 C ATOM 1212 C ALA A 82 17.988 21.345 -12.703 1.00 0.00 C ATOM 1213 O ALA A 82 17.899 22.133 -11.763 1.00 0.00 O ATOM 1214 CB ALA A 82 15.995 19.829 -12.993 1.00 0.00 C ATOM 0 H ALA A 82 17.415 20.211 -10.504 1.00 0.00 H new ATOM 0 HA ALA A 82 18.042 19.270 -13.222 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.896 20.160 -14.027 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.653 18.798 -12.907 1.00 0.00 H new ATOM 0 HB3 ALA A 82 15.389 20.466 -12.349 1.00 0.00 H new ATOM 1220 N THR A 83 18.543 21.681 -13.872 1.00 0.00 N ATOM 1221 CA THR A 83 19.109 23.003 -14.107 1.00 0.00 C ATOM 1222 C THR A 83 19.216 23.289 -15.605 1.00 0.00 C ATOM 1223 O THR A 83 19.005 22.401 -16.429 1.00 0.00 O ATOM 1224 CB THR A 83 20.493 23.082 -13.455 1.00 0.00 C ATOM 1225 OG1 THR A 83 20.967 24.409 -13.520 1.00 0.00 O ATOM 1226 CG2 THR A 83 21.498 22.153 -14.140 1.00 0.00 C ATOM 0 H THR A 83 18.610 21.049 -14.670 1.00 0.00 H new ATOM 0 HA THR A 83 18.453 23.753 -13.666 1.00 0.00 H new ATOM 0 HB THR A 83 20.392 22.764 -12.417 1.00 0.00 H new ATOM 0 HG1 THR A 83 21.852 24.461 -13.102 1.00 0.00 H new ATOM 0 HG21 THR A 83 22.467 22.239 -13.648 1.00 0.00 H new ATOM 0 HG22 THR A 83 21.146 21.123 -14.072 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.597 22.434 -15.188 1.00 0.00 H new ATOM 1234 N GLY A 84 19.544 24.534 -15.954 1.00 0.00 N ATOM 1235 CA GLY A 84 19.797 24.937 -17.328 1.00 0.00 C ATOM 1236 C GLY A 84 21.026 25.834 -17.364 1.00 0.00 C ATOM 1237 O GLY A 84 20.926 27.038 -17.142 1.00 0.00 O ATOM 0 H GLY A 84 19.641 25.294 -15.281 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.953 24.059 -17.955 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.933 25.466 -17.730 1.00 0.00 H new ATOM 1241 N GLY A 85 22.188 25.235 -17.641 1.00 0.00 N ATOM 1242 CA GLY A 85 23.463 25.937 -17.657 1.00 0.00 C ATOM 1243 C GLY A 85 24.594 24.982 -17.283 1.00 0.00 C ATOM 1244 O GLY A 85 24.439 23.764 -17.379 1.00 0.00 O ATOM 0 H GLY A 85 22.265 24.242 -17.861 1.00 0.00 H new ATOM 0 HA2 GLY A 85 23.643 26.356 -18.647 1.00 0.00 H new ATOM 0 HA3 GLY A 85 23.436 26.772 -16.957 1.00 0.00 H new ATOM 1248 N SER A 86 25.734 25.536 -16.858 1.00 0.00 N ATOM 1249 CA SER A 86 26.871 24.740 -16.414 1.00 0.00 C ATOM 1250 C SER A 86 26.602 24.168 -15.023 1.00 0.00 C ATOM 1251 O SER A 86 25.789 24.701 -14.272 1.00 0.00 O ATOM 1252 CB SER A 86 28.133 25.605 -16.413 1.00 0.00 C ATOM 1253 OG SER A 86 29.250 24.830 -16.029 1.00 0.00 O ATOM 0 H SER A 86 25.889 26.543 -16.814 1.00 0.00 H new ATOM 0 HA SER A 86 27.020 23.906 -17.100 1.00 0.00 H new ATOM 0 HB2 SER A 86 28.296 26.026 -17.405 1.00 0.00 H new ATOM 0 HB3 SER A 86 28.009 26.443 -15.727 1.00 0.00 H new ATOM 0 HG SER A 86 30.054 25.391 -16.033 1.00 0.00 H new ATOM 1259 N ASP A 87 27.291 23.077 -14.683 1.00 0.00 N ATOM 1260 CA ASP A 87 27.156 22.422 -13.386 1.00 0.00 C ATOM 1261 C ASP A 87 28.302 22.810 -12.447 1.00 0.00 C ATOM 1262 O ASP A 87 28.308 22.418 -11.282 1.00 0.00 O ATOM 1263 CB ASP A 87 27.080 20.907 -13.587 1.00 0.00 C ATOM 1264 CG ASP A 87 28.378 20.329 -14.150 1.00 0.00 C ATOM 1265 OD1 ASP A 87 28.669 20.611 -15.335 1.00 0.00 O ATOM 1266 OD2 ASP A 87 29.070 19.610 -13.396 1.00 0.00 O ATOM 0 H ASP A 87 27.961 22.623 -15.304 1.00 0.00 H new ATOM 0 HA ASP A 87 26.234 22.758 -12.912 1.00 0.00 H new ATOM 0 HB2 ASP A 87 26.855 20.428 -12.634 1.00 0.00 H new ATOM 0 HB3 ASP A 87 26.258 20.674 -14.263 1.00 0.00 H new ATOM 1271 N ASP A 88 29.272 23.582 -12.951 1.00 0.00 N ATOM 1272 CA ASP A 88 30.443 23.976 -12.180 1.00 0.00 C ATOM 1273 C ASP A 88 30.140 25.126 -11.213 1.00 0.00 C ATOM 1274 O ASP A 88 31.017 25.559 -10.471 1.00 0.00 O ATOM 1275 CB ASP A 88 31.579 24.324 -13.145 1.00 0.00 C ATOM 1276 CG ASP A 88 32.917 24.481 -12.427 1.00 0.00 C ATOM 1277 OD1 ASP A 88 33.468 25.604 -12.469 1.00 0.00 O ATOM 1278 OD2 ASP A 88 33.381 23.474 -11.841 1.00 0.00 O ATOM 0 H ASP A 88 29.262 23.947 -13.903 1.00 0.00 H new ATOM 0 HA ASP A 88 30.750 23.139 -11.554 1.00 0.00 H new ATOM 0 HB2 ASP A 88 31.664 23.543 -13.901 1.00 0.00 H new ATOM 0 HB3 ASP A 88 31.338 25.249 -13.668 1.00 0.00 H new ATOM 1283 N SER A 89 28.898 25.621 -11.221 1.00 0.00 N ATOM 1284 CA SER A 89 28.457 26.710 -10.360 1.00 0.00 C ATOM 1285 C SER A 89 27.585 26.199 -9.215 1.00 0.00 C ATOM 1286 O SER A 89 26.959 26.996 -8.518 1.00 0.00 O ATOM 1287 CB SER A 89 27.727 27.763 -11.195 1.00 0.00 C ATOM 1288 OG SER A 89 26.604 27.178 -11.821 1.00 0.00 O ATOM 0 H SER A 89 28.165 25.268 -11.836 1.00 0.00 H new ATOM 0 HA SER A 89 29.333 27.173 -9.905 1.00 0.00 H new ATOM 0 HB2 SER A 89 27.411 28.591 -10.560 1.00 0.00 H new ATOM 0 HB3 SER A 89 28.400 28.176 -11.946 1.00 0.00 H new ATOM 0 HG SER A 89 26.137 27.855 -12.354 1.00 0.00 H new ATOM 1294 N VAL A 90 27.540 24.878 -9.018 1.00 0.00 N ATOM 1295 CA VAL A 90 26.719 24.249 -7.988 1.00 0.00 C ATOM 1296 C VAL A 90 27.588 23.340 -7.116 1.00 0.00 C ATOM 1297 O VAL A 90 28.627 22.858 -7.564 1.00 0.00 O ATOM 1298 CB VAL A 90 25.557 23.483 -8.640 1.00 0.00 C ATOM 1299 CG1 VAL A 90 24.539 23.047 -7.586 1.00 0.00 C ATOM 1300 CG2 VAL A 90 24.816 24.354 -9.655 1.00 0.00 C ATOM 0 H VAL A 90 28.077 24.213 -9.575 1.00 0.00 H new ATOM 0 HA VAL A 90 26.287 25.013 -7.341 1.00 0.00 H new ATOM 0 HB VAL A 90 25.993 22.617 -9.138 1.00 0.00 H new ATOM 0 HG11 VAL A 90 23.725 22.506 -8.068 1.00 0.00 H new ATOM 0 HG12 VAL A 90 25.025 22.397 -6.858 1.00 0.00 H new ATOM 0 HG13 VAL A 90 24.141 23.926 -7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 90 24.000 23.783 -10.098 1.00 0.00 H new ATOM 0 HG22 VAL A 90 24.412 25.234 -9.154 1.00 0.00 H new ATOM 0 HG23 VAL A 90 25.506 24.667 -10.438 1.00 0.00 H new ATOM 1310 N ASP A 91 27.166 23.111 -5.868 1.00 0.00 N ATOM 1311 CA ASP A 91 27.909 22.301 -4.911 1.00 0.00 C ATOM 1312 C ASP A 91 28.104 20.869 -5.415 1.00 0.00 C ATOM 1313 O ASP A 91 27.302 20.353 -6.194 1.00 0.00 O ATOM 1314 CB ASP A 91 27.180 22.337 -3.566 1.00 0.00 C ATOM 1315 CG ASP A 91 27.885 21.493 -2.505 1.00 0.00 C ATOM 1316 OD1 ASP A 91 29.082 21.756 -2.265 1.00 0.00 O ATOM 1317 OD2 ASP A 91 27.210 20.601 -1.945 1.00 0.00 O ATOM 0 H ASP A 91 26.294 23.487 -5.496 1.00 0.00 H new ATOM 0 HA ASP A 91 28.909 22.716 -4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 91 27.110 23.368 -3.220 1.00 0.00 H new ATOM 0 HB3 ASP A 91 26.160 21.975 -3.697 1.00 0.00 H new ATOM 1322 N SER A 92 29.182 20.219 -4.966 1.00 0.00 N ATOM 1323 CA SER A 92 29.593 18.914 -5.473 1.00 0.00 C ATOM 1324 C SER A 92 28.564 17.820 -5.190 1.00 0.00 C ATOM 1325 O SER A 92 28.612 16.766 -5.821 1.00 0.00 O ATOM 1326 CB SER A 92 30.943 18.543 -4.860 1.00 0.00 C ATOM 1327 OG SER A 92 30.832 18.472 -3.451 1.00 0.00 O ATOM 0 H SER A 92 29.794 20.588 -4.238 1.00 0.00 H new ATOM 0 HA SER A 92 29.676 18.989 -6.557 1.00 0.00 H new ATOM 0 HB2 SER A 92 31.280 17.585 -5.255 1.00 0.00 H new ATOM 0 HB3 SER A 92 31.693 19.284 -5.137 1.00 0.00 H new ATOM 0 HG SER A 92 31.701 18.232 -3.066 1.00 0.00 H new ATOM 1333 N ARG A 93 27.637 18.048 -4.256 1.00 0.00 N ATOM 1334 CA ARG A 93 26.597 17.073 -3.949 1.00 0.00 C ATOM 1335 C ARG A 93 25.500 17.101 -5.010 1.00 0.00 C ATOM 1336 O ARG A 93 24.713 16.162 -5.113 1.00 0.00 O ATOM 1337 CB ARG A 93 26.050 17.343 -2.549 1.00 0.00 C ATOM 1338 CG ARG A 93 27.181 17.233 -1.519 1.00 0.00 C ATOM 1339 CD ARG A 93 26.650 17.487 -0.113 1.00 0.00 C ATOM 1340 NE ARG A 93 26.015 18.806 -0.025 1.00 0.00 N ATOM 1341 CZ ARG A 93 25.015 19.094 0.813 1.00 0.00 C ATOM 1342 NH1 ARG A 93 24.582 18.190 1.685 1.00 0.00 N ATOM 1343 NH2 ARG A 93 24.444 20.291 0.781 1.00 0.00 N ATOM 0 H ARG A 93 27.589 18.902 -3.700 1.00 0.00 H new ATOM 0 HA ARG A 93 27.020 16.068 -3.962 1.00 0.00 H new ATOM 0 HB2 ARG A 93 25.604 18.337 -2.508 1.00 0.00 H new ATOM 0 HB3 ARG A 93 25.260 16.629 -2.313 1.00 0.00 H new ATOM 0 HG2 ARG A 93 27.632 16.242 -1.570 1.00 0.00 H new ATOM 0 HG3 ARG A 93 27.965 17.953 -1.753 1.00 0.00 H new ATOM 0 HD2 ARG A 93 25.930 16.713 0.154 1.00 0.00 H new ATOM 0 HD3 ARG A 93 27.467 17.423 0.606 1.00 0.00 H new ATOM 0 HE ARG A 93 26.356 19.546 -0.639 1.00 0.00 H new ATOM 0 HH11 ARG A 93 25.014 17.266 1.719 1.00 0.00 H new ATOM 0 HH12 ARG A 93 23.818 18.420 2.321 1.00 0.00 H new ATOM 0 HH21 ARG A 93 24.768 20.993 0.116 1.00 0.00 H new ATOM 0 HH22 ARG A 93 23.681 20.509 1.421 1.00 0.00 H new ATOM 1357 N PHE A 94 25.444 18.172 -5.803 1.00 0.00 N ATOM 1358 CA PHE A 94 24.529 18.261 -6.928 1.00 0.00 C ATOM 1359 C PHE A 94 25.213 17.702 -8.171 1.00 0.00 C ATOM 1360 O PHE A 94 24.547 17.309 -9.124 1.00 0.00 O ATOM 1361 CB PHE A 94 24.123 19.718 -7.164 1.00 0.00 C ATOM 1362 CG PHE A 94 23.418 20.380 -6.000 1.00 0.00 C ATOM 1363 CD1 PHE A 94 22.075 20.761 -6.124 1.00 0.00 C ATOM 1364 CD2 PHE A 94 24.103 20.616 -4.800 1.00 0.00 C ATOM 1365 CE1 PHE A 94 21.415 21.367 -5.045 1.00 0.00 C ATOM 1366 CE2 PHE A 94 23.442 21.214 -3.718 1.00 0.00 C ATOM 1367 CZ PHE A 94 22.096 21.587 -3.841 1.00 0.00 C ATOM 0 H PHE A 94 26.032 18.996 -5.679 1.00 0.00 H new ATOM 0 HA PHE A 94 23.631 17.682 -6.713 1.00 0.00 H new ATOM 0 HB2 PHE A 94 25.016 20.294 -7.404 1.00 0.00 H new ATOM 0 HB3 PHE A 94 23.471 19.761 -8.037 1.00 0.00 H new ATOM 0 HD1 PHE A 94 21.548 20.588 -7.051 1.00 0.00 H new ATOM 0 HD2 PHE A 94 25.142 20.337 -4.709 1.00 0.00 H new ATOM 0 HE1 PHE A 94 20.381 21.664 -5.143 1.00 0.00 H new ATOM 0 HE2 PHE A 94 23.969 21.387 -2.791 1.00 0.00 H new ATOM 0 HZ PHE A 94 21.584 22.044 -3.007 1.00 0.00 H new ATOM 1377 N ARG A 95 26.552 17.667 -8.151 1.00 0.00 N ATOM 1378 CA ARG A 95 27.346 17.113 -9.237 1.00 0.00 C ATOM 1379 C ARG A 95 27.569 15.611 -9.053 1.00 0.00 C ATOM 1380 O ARG A 95 28.038 14.941 -9.973 1.00 0.00 O ATOM 1381 CB ARG A 95 28.674 17.867 -9.326 1.00 0.00 C ATOM 1382 CG ARG A 95 28.438 19.381 -9.341 1.00 0.00 C ATOM 1383 CD ARG A 95 29.758 20.132 -9.503 1.00 0.00 C ATOM 1384 NE ARG A 95 30.264 20.028 -10.875 1.00 0.00 N ATOM 1385 CZ ARG A 95 31.384 20.602 -11.309 1.00 0.00 C ATOM 1386 NH1 ARG A 95 32.165 21.293 -10.480 1.00 0.00 N ATOM 1387 NH2 ARG A 95 31.731 20.483 -12.587 1.00 0.00 N ATOM 0 H ARG A 95 27.109 18.025 -7.375 1.00 0.00 H new ATOM 0 HA ARG A 95 26.803 17.238 -10.174 1.00 0.00 H new ATOM 0 HB2 ARG A 95 29.306 17.601 -8.479 1.00 0.00 H new ATOM 0 HB3 ARG A 95 29.208 17.568 -10.228 1.00 0.00 H new ATOM 0 HG2 ARG A 95 27.764 19.641 -10.157 1.00 0.00 H new ATOM 0 HG3 ARG A 95 27.951 19.687 -8.415 1.00 0.00 H new ATOM 0 HD2 ARG A 95 29.616 21.181 -9.244 1.00 0.00 H new ATOM 0 HD3 ARG A 95 30.496 19.729 -8.809 1.00 0.00 H new ATOM 0 HE ARG A 95 29.721 19.479 -11.542 1.00 0.00 H new ATOM 0 HH11 ARG A 95 31.908 21.388 -9.498 1.00 0.00 H new ATOM 0 HH12 ARG A 95 33.020 21.727 -10.828 1.00 0.00 H new ATOM 0 HH21 ARG A 95 31.140 19.954 -13.229 1.00 0.00 H new ATOM 0 HH22 ARG A 95 32.588 20.920 -12.926 1.00 0.00 H new ATOM 1401 N ASP A 96 27.236 15.078 -7.872 1.00 0.00 N ATOM 1402 CA ASP A 96 27.370 13.660 -7.569 1.00 0.00 C ATOM 1403 C ASP A 96 26.010 12.954 -7.608 1.00 0.00 C ATOM 1404 O ASP A 96 25.943 11.755 -7.880 1.00 0.00 O ATOM 1405 CB ASP A 96 28.036 13.512 -6.198 1.00 0.00 C ATOM 1406 CG ASP A 96 28.257 12.046 -5.834 1.00 0.00 C ATOM 1407 OD1 ASP A 96 29.136 11.421 -6.469 1.00 0.00 O ATOM 1408 OD2 ASP A 96 27.548 11.561 -4.926 1.00 0.00 O ATOM 0 H ASP A 96 26.864 15.628 -7.098 1.00 0.00 H new ATOM 0 HA ASP A 96 27.993 13.183 -8.326 1.00 0.00 H new ATOM 0 HB2 ASP A 96 28.992 14.035 -6.199 1.00 0.00 H new ATOM 0 HB3 ASP A 96 27.415 13.986 -5.438 1.00 0.00 H new ATOM 1413 N ARG A 97 24.926 13.695 -7.340 1.00 0.00 N ATOM 1414 CA ARG A 97 23.567 13.179 -7.445 1.00 0.00 C ATOM 1415 C ARG A 97 23.069 13.347 -8.880 1.00 0.00 C ATOM 1416 O ARG A 97 23.636 14.143 -9.630 1.00 0.00 O ATOM 1417 CB ARG A 97 22.662 13.898 -6.441 1.00 0.00 C ATOM 1418 CG ARG A 97 23.032 13.503 -5.012 1.00 0.00 C ATOM 1419 CD ARG A 97 22.188 14.294 -4.013 1.00 0.00 C ATOM 1420 NE ARG A 97 22.523 13.919 -2.634 1.00 0.00 N ATOM 1421 CZ ARG A 97 22.596 14.770 -1.605 1.00 0.00 C ATOM 1422 NH1 ARG A 97 22.372 16.071 -1.777 1.00 0.00 N ATOM 1423 NH2 ARG A 97 22.894 14.317 -0.393 1.00 0.00 N ATOM 0 H ARG A 97 24.974 14.670 -7.044 1.00 0.00 H new ATOM 0 HA ARG A 97 23.549 12.116 -7.205 1.00 0.00 H new ATOM 0 HB2 ARG A 97 22.758 14.977 -6.563 1.00 0.00 H new ATOM 0 HB3 ARG A 97 21.620 13.646 -6.636 1.00 0.00 H new ATOM 0 HG2 ARG A 97 22.872 12.434 -4.869 1.00 0.00 H new ATOM 0 HG3 ARG A 97 24.091 13.693 -4.836 1.00 0.00 H new ATOM 0 HD2 ARG A 97 22.355 15.362 -4.155 1.00 0.00 H new ATOM 0 HD3 ARG A 97 21.130 14.109 -4.198 1.00 0.00 H new ATOM 0 HE ARG A 97 22.715 12.935 -2.446 1.00 0.00 H new ATOM 0 HH11 ARG A 97 22.141 16.431 -2.703 1.00 0.00 H new ATOM 0 HH12 ARG A 97 22.431 16.708 -0.983 1.00 0.00 H new ATOM 0 HH21 ARG A 97 23.067 13.322 -0.249 1.00 0.00 H new ATOM 0 HH22 ARG A 97 22.950 14.964 0.394 1.00 0.00 H new ATOM 1437 N PRO A 98 22.024 12.611 -9.281 1.00 0.00 N ATOM 1438 CA PRO A 98 21.465 12.689 -10.618 1.00 0.00 C ATOM 1439 C PRO A 98 21.037 14.107 -10.994 1.00 0.00 C ATOM 1440 O PRO A 98 20.569 14.866 -10.144 1.00 0.00 O ATOM 1441 CB PRO A 98 20.277 11.727 -10.623 1.00 0.00 C ATOM 1442 CG PRO A 98 20.614 10.736 -9.511 1.00 0.00 C ATOM 1443 CD PRO A 98 21.314 11.624 -8.488 1.00 0.00 C ATOM 0 HA PRO A 98 22.211 12.417 -11.364 1.00 0.00 H new ATOM 0 HB2 PRO A 98 19.339 12.247 -10.426 1.00 0.00 H new ATOM 0 HB3 PRO A 98 20.169 11.228 -11.586 1.00 0.00 H new ATOM 0 HG2 PRO A 98 19.720 10.267 -9.099 1.00 0.00 H new ATOM 0 HG3 PRO A 98 21.261 9.933 -9.864 1.00 0.00 H new ATOM 0 HD2 PRO A 98 20.597 12.097 -7.817 1.00 0.00 H new ATOM 0 HD3 PRO A 98 22.000 11.048 -7.867 1.00 0.00 H new ATOM 1451 N VAL A 99 21.199 14.454 -12.273 1.00 0.00 N ATOM 1452 CA VAL A 99 20.844 15.766 -12.808 1.00 0.00 C ATOM 1453 C VAL A 99 20.221 15.620 -14.193 1.00 0.00 C ATOM 1454 O VAL A 99 20.486 14.646 -14.898 1.00 0.00 O ATOM 1455 CB VAL A 99 22.070 16.689 -12.885 1.00 0.00 C ATOM 1456 CG1 VAL A 99 22.561 17.063 -11.491 1.00 0.00 C ATOM 1457 CG2 VAL A 99 23.220 16.041 -13.656 1.00 0.00 C ATOM 0 H VAL A 99 21.586 13.822 -12.974 1.00 0.00 H new ATOM 0 HA VAL A 99 20.119 16.217 -12.130 1.00 0.00 H new ATOM 0 HB VAL A 99 21.752 17.587 -13.415 1.00 0.00 H new ATOM 0 HG11 VAL A 99 23.429 17.717 -11.574 1.00 0.00 H new ATOM 0 HG12 VAL A 99 21.767 17.581 -10.952 1.00 0.00 H new ATOM 0 HG13 VAL A 99 22.838 16.159 -10.948 1.00 0.00 H new ATOM 0 HG21 VAL A 99 24.068 16.725 -13.688 1.00 0.00 H new ATOM 0 HG22 VAL A 99 23.517 15.118 -13.158 1.00 0.00 H new ATOM 0 HG23 VAL A 99 22.896 15.817 -14.672 1.00 0.00 H new ATOM 1467 N LEU A 100 19.392 16.592 -14.576 1.00 0.00 N ATOM 1468 CA LEU A 100 18.763 16.613 -15.887 1.00 0.00 C ATOM 1469 C LEU A 100 18.612 18.051 -16.373 1.00 0.00 C ATOM 1470 O LEU A 100 18.400 18.960 -15.571 1.00 0.00 O ATOM 1471 CB LEU A 100 17.410 15.901 -15.792 1.00 0.00 C ATOM 1472 CG LEU A 100 16.720 15.711 -17.147 1.00 0.00 C ATOM 1473 CD1 LEU A 100 17.567 14.863 -18.092 1.00 0.00 C ATOM 1474 CD2 LEU A 100 15.384 15.010 -16.920 1.00 0.00 C ATOM 0 H LEU A 100 19.141 17.383 -13.983 1.00 0.00 H new ATOM 0 HA LEU A 100 19.383 16.090 -16.615 1.00 0.00 H new ATOM 0 HB2 LEU A 100 17.554 14.926 -15.327 1.00 0.00 H new ATOM 0 HB3 LEU A 100 16.753 16.473 -15.136 1.00 0.00 H new ATOM 0 HG LEU A 100 16.577 16.691 -17.602 1.00 0.00 H new ATOM 0 HD11 LEU A 100 17.047 14.749 -19.043 1.00 0.00 H new ATOM 0 HD12 LEU A 100 18.526 15.353 -18.259 1.00 0.00 H new ATOM 0 HD13 LEU A 100 17.733 13.881 -17.649 1.00 0.00 H new ATOM 0 HD21 LEU A 100 14.881 14.868 -17.876 1.00 0.00 H new ATOM 0 HD22 LEU A 100 15.557 14.040 -16.453 1.00 0.00 H new ATOM 0 HD23 LEU A 100 14.759 15.620 -16.268 1.00 0.00 H new ATOM 1486 N GLN A 101 18.723 18.261 -17.685 1.00 0.00 N ATOM 1487 CA GLN A 101 18.574 19.574 -18.289 1.00 0.00 C ATOM 1488 C GLN A 101 17.096 19.860 -18.547 1.00 0.00 C ATOM 1489 O GLN A 101 16.289 18.933 -18.623 1.00 0.00 O ATOM 1490 CB GLN A 101 19.400 19.671 -19.579 1.00 0.00 C ATOM 1491 CG GLN A 101 20.899 19.469 -19.321 1.00 0.00 C ATOM 1492 CD GLN A 101 21.295 18.009 -19.124 1.00 0.00 C ATOM 1493 OE1 GLN A 101 20.536 17.089 -19.419 1.00 0.00 O ATOM 1494 NE2 GLN A 101 22.506 17.782 -18.618 1.00 0.00 N ATOM 0 H GLN A 101 18.920 17.519 -18.356 1.00 0.00 H new ATOM 0 HA GLN A 101 18.953 20.330 -17.602 1.00 0.00 H new ATOM 0 HB2 GLN A 101 19.051 18.922 -20.290 1.00 0.00 H new ATOM 0 HB3 GLN A 101 19.240 20.646 -20.039 1.00 0.00 H new ATOM 0 HG2 GLN A 101 21.462 19.879 -20.160 1.00 0.00 H new ATOM 0 HG3 GLN A 101 21.186 20.037 -18.436 1.00 0.00 H new ATOM 0 HE21 GLN A 101 23.115 18.565 -18.382 1.00 0.00 H new ATOM 0 HE22 GLN A 101 22.824 16.825 -18.466 1.00 0.00 H new ATOM 1503 N LYS A 102 16.723 21.137 -18.683 1.00 0.00 N ATOM 1504 CA LYS A 102 15.320 21.511 -18.830 1.00 0.00 C ATOM 1505 C LYS A 102 14.699 21.031 -20.147 1.00 0.00 C ATOM 1506 O LYS A 102 13.527 20.660 -20.142 1.00 0.00 O ATOM 1507 CB LYS A 102 15.151 23.023 -18.653 1.00 0.00 C ATOM 1508 CG LYS A 102 15.618 23.432 -17.256 1.00 0.00 C ATOM 1509 CD LYS A 102 15.274 24.895 -16.983 1.00 0.00 C ATOM 1510 CE LYS A 102 15.784 25.309 -15.601 1.00 0.00 C ATOM 1511 NZ LYS A 102 15.201 24.474 -14.536 1.00 0.00 N ATOM 0 H LYS A 102 17.373 21.923 -18.694 1.00 0.00 H new ATOM 0 HA LYS A 102 14.772 20.998 -18.040 1.00 0.00 H new ATOM 0 HB2 LYS A 102 15.728 23.554 -19.410 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.107 23.301 -18.794 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.146 22.796 -16.508 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.694 23.283 -17.168 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.720 25.530 -17.748 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.195 25.039 -17.039 1.00 0.00 H new ATOM 0 HE2 LYS A 102 16.871 25.228 -15.574 1.00 0.00 H new ATOM 0 HE3 LYS A 102 15.538 26.355 -15.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 15.619 24.737 -13.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 14.172 24.623 -14.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 15.400 23.472 -14.732 1.00 0.00 H new ATOM 1525 N PRO A 103 15.425 21.016 -21.276 1.00 0.00 N ATOM 1526 CA PRO A 103 14.942 20.407 -22.505 1.00 0.00 C ATOM 1527 C PRO A 103 14.727 18.908 -22.302 1.00 0.00 C ATOM 1528 O PRO A 103 15.642 18.199 -21.883 1.00 0.00 O ATOM 1529 CB PRO A 103 16.024 20.676 -23.554 1.00 0.00 C ATOM 1530 CG PRO A 103 16.800 21.864 -22.986 1.00 0.00 C ATOM 1531 CD PRO A 103 16.736 21.599 -21.486 1.00 0.00 C ATOM 0 HA PRO A 103 13.983 20.820 -22.818 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.669 19.808 -23.695 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.589 20.911 -24.525 1.00 0.00 H new ATOM 0 HG2 PRO A 103 17.827 21.893 -23.351 1.00 0.00 H new ATOM 0 HG3 PRO A 103 16.340 22.816 -23.252 1.00 0.00 H new ATOM 0 HD2 PRO A 103 17.528 20.920 -21.169 1.00 0.00 H new ATOM 0 HD3 PRO A 103 16.857 22.519 -20.915 1.00 0.00 H new ATOM 1539 N PHE A 104 13.518 18.425 -22.599 1.00 0.00 N ATOM 1540 CA PHE A 104 13.157 17.026 -22.401 1.00 0.00 C ATOM 1541 C PHE A 104 12.938 16.326 -23.741 1.00 0.00 C ATOM 1542 O PHE A 104 12.565 16.957 -24.730 1.00 0.00 O ATOM 1543 CB PHE A 104 11.895 16.925 -21.533 1.00 0.00 C ATOM 1544 CG PHE A 104 12.110 16.936 -20.032 1.00 0.00 C ATOM 1545 CD1 PHE A 104 11.173 16.293 -19.205 1.00 0.00 C ATOM 1546 CD2 PHE A 104 13.222 17.567 -19.454 1.00 0.00 C ATOM 1547 CE1 PHE A 104 11.371 16.255 -17.819 1.00 0.00 C ATOM 1548 CE2 PHE A 104 13.408 17.544 -18.064 1.00 0.00 C ATOM 1549 CZ PHE A 104 12.482 16.886 -17.245 1.00 0.00 C ATOM 0 H PHE A 104 12.765 18.995 -22.983 1.00 0.00 H new ATOM 0 HA PHE A 104 13.980 16.527 -21.888 1.00 0.00 H new ATOM 0 HB2 PHE A 104 11.235 17.754 -21.790 1.00 0.00 H new ATOM 0 HB3 PHE A 104 11.371 16.007 -21.797 1.00 0.00 H new ATOM 0 HD1 PHE A 104 10.300 15.828 -19.638 1.00 0.00 H new ATOM 0 HD2 PHE A 104 13.939 18.073 -20.083 1.00 0.00 H new ATOM 0 HE1 PHE A 104 10.663 15.736 -17.189 1.00 0.00 H new ATOM 0 HE2 PHE A 104 14.265 18.034 -17.625 1.00 0.00 H new ATOM 0 HZ PHE A 104 12.624 16.865 -16.175 1.00 0.00 H new ATOM 1559 N THR A 105 13.176 15.013 -23.764 1.00 0.00 N ATOM 1560 CA THR A 105 12.986 14.167 -24.936 1.00 0.00 C ATOM 1561 C THR A 105 12.444 12.813 -24.491 1.00 0.00 C ATOM 1562 O THR A 105 12.587 12.430 -23.333 1.00 0.00 O ATOM 1563 CB THR A 105 14.301 13.982 -25.701 1.00 0.00 C ATOM 1564 OG1 THR A 105 15.256 13.358 -24.870 1.00 0.00 O ATOM 1565 CG2 THR A 105 14.867 15.311 -26.187 1.00 0.00 C ATOM 0 H THR A 105 13.513 14.501 -22.949 1.00 0.00 H new ATOM 0 HA THR A 105 12.274 14.649 -25.607 1.00 0.00 H new ATOM 0 HB THR A 105 14.086 13.360 -26.570 1.00 0.00 H new ATOM 0 HG1 THR A 105 16.094 13.241 -25.365 1.00 0.00 H new ATOM 0 HG21 THR A 105 15.799 15.135 -26.724 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.149 15.790 -26.853 1.00 0.00 H new ATOM 0 HG23 THR A 105 15.058 15.960 -25.332 1.00 0.00 H new ATOM 1573 N MET A 106 11.817 12.070 -25.406 1.00 0.00 N ATOM 1574 CA MET A 106 11.199 10.798 -25.053 1.00 0.00 C ATOM 1575 C MET A 106 12.251 9.770 -24.635 1.00 0.00 C ATOM 1576 O MET A 106 11.943 8.857 -23.871 1.00 0.00 O ATOM 1577 CB MET A 106 10.378 10.278 -26.233 1.00 0.00 C ATOM 1578 CG MET A 106 9.159 11.161 -26.518 1.00 0.00 C ATOM 1579 SD MET A 106 9.524 12.801 -27.199 1.00 0.00 S ATOM 1580 CE MET A 106 7.840 13.454 -27.272 1.00 0.00 C ATOM 0 H MET A 106 11.726 12.328 -26.389 1.00 0.00 H new ATOM 0 HA MET A 106 10.538 10.959 -24.201 1.00 0.00 H new ATOM 0 HB2 MET A 106 11.008 10.233 -27.121 1.00 0.00 H new ATOM 0 HB3 MET A 106 10.048 9.260 -26.024 1.00 0.00 H new ATOM 0 HG2 MET A 106 8.506 10.635 -27.214 1.00 0.00 H new ATOM 0 HG3 MET A 106 8.600 11.288 -25.591 1.00 0.00 H new ATOM 0 HE1 MET A 106 7.860 14.468 -27.671 1.00 0.00 H new ATOM 0 HE2 MET A 106 7.232 12.822 -27.919 1.00 0.00 H new ATOM 0 HE3 MET A 106 7.411 13.467 -26.270 1.00 0.00 H new ATOM 1590 N ASP A 107 13.487 9.908 -25.126 1.00 0.00 N ATOM 1591 CA ASP A 107 14.565 9.002 -24.750 1.00 0.00 C ATOM 1592 C ASP A 107 15.231 9.434 -23.445 1.00 0.00 C ATOM 1593 O ASP A 107 15.609 8.590 -22.634 1.00 0.00 O ATOM 1594 CB ASP A 107 15.586 8.946 -25.888 1.00 0.00 C ATOM 1595 CG ASP A 107 16.728 7.987 -25.558 1.00 0.00 C ATOM 1596 OD1 ASP A 107 16.516 6.764 -25.702 1.00 0.00 O ATOM 1597 OD2 ASP A 107 17.807 8.486 -25.167 1.00 0.00 O ATOM 0 H ASP A 107 13.760 10.639 -25.783 1.00 0.00 H new ATOM 0 HA ASP A 107 14.149 8.009 -24.581 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.094 8.627 -26.807 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.986 9.943 -26.071 1.00 0.00 H new ATOM 1602 N GLY A 108 15.376 10.747 -23.229 1.00 0.00 N ATOM 1603 CA GLY A 108 16.068 11.263 -22.058 1.00 0.00 C ATOM 1604 C GLY A 108 15.205 11.198 -20.805 1.00 0.00 C ATOM 1605 O GLY A 108 15.735 11.103 -19.699 1.00 0.00 O ATOM 0 H GLY A 108 15.019 11.468 -23.856 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.982 10.692 -21.897 1.00 0.00 H new ATOM 0 HA3 GLY A 108 16.365 12.296 -22.239 1.00 0.00 H new ATOM 1609 N VAL A 109 13.880 11.246 -20.961 1.00 0.00 N ATOM 1610 CA VAL A 109 12.972 11.206 -19.823 1.00 0.00 C ATOM 1611 C VAL A 109 12.684 9.763 -19.421 1.00 0.00 C ATOM 1612 O VAL A 109 12.430 9.492 -18.251 1.00 0.00 O ATOM 1613 CB VAL A 109 11.691 11.973 -20.157 1.00 0.00 C ATOM 1614 CG1 VAL A 109 10.705 11.929 -18.990 1.00 0.00 C ATOM 1615 CG2 VAL A 109 12.027 13.443 -20.413 1.00 0.00 C ATOM 0 H VAL A 109 13.416 11.313 -21.867 1.00 0.00 H new ATOM 0 HA VAL A 109 13.440 11.691 -18.967 1.00 0.00 H new ATOM 0 HB VAL A 109 11.246 11.508 -21.037 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.804 12.482 -19.254 1.00 0.00 H new ATOM 0 HG12 VAL A 109 10.445 10.893 -18.772 1.00 0.00 H new ATOM 0 HG13 VAL A 109 11.163 12.381 -18.110 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.114 13.989 -20.651 1.00 0.00 H new ATOM 0 HG22 VAL A 109 12.485 13.872 -19.522 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.722 13.517 -21.249 1.00 0.00 H new ATOM 1625 N ALA A 110 12.724 8.824 -20.372 1.00 0.00 N ATOM 1626 CA ALA A 110 12.534 7.420 -20.041 1.00 0.00 C ATOM 1627 C ALA A 110 13.700 6.932 -19.180 1.00 0.00 C ATOM 1628 O ALA A 110 13.538 6.025 -18.364 1.00 0.00 O ATOM 1629 CB ALA A 110 12.429 6.618 -21.336 1.00 0.00 C ATOM 0 H ALA A 110 12.884 9.013 -21.362 1.00 0.00 H new ATOM 0 HA ALA A 110 11.616 7.286 -19.470 1.00 0.00 H new ATOM 0 HB1 ALA A 110 12.286 5.563 -21.100 1.00 0.00 H new ATOM 0 HB2 ALA A 110 11.581 6.978 -21.919 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.345 6.740 -21.915 1.00 0.00 H new ATOM 1635 N LYS A 111 14.876 7.539 -19.362 1.00 0.00 N ATOM 1636 CA LYS A 111 16.065 7.232 -18.580 1.00 0.00 C ATOM 1637 C LYS A 111 16.077 8.027 -17.275 1.00 0.00 C ATOM 1638 O LYS A 111 16.758 7.637 -16.327 1.00 0.00 O ATOM 1639 CB LYS A 111 17.300 7.530 -19.431 1.00 0.00 C ATOM 1640 CG LYS A 111 17.356 6.573 -20.624 1.00 0.00 C ATOM 1641 CD LYS A 111 18.442 7.004 -21.609 1.00 0.00 C ATOM 1642 CE LYS A 111 18.448 6.039 -22.793 1.00 0.00 C ATOM 1643 NZ LYS A 111 19.348 6.515 -23.863 1.00 0.00 N ATOM 0 H LYS A 111 15.025 8.263 -20.064 1.00 0.00 H new ATOM 0 HA LYS A 111 16.066 6.177 -18.307 1.00 0.00 H new ATOM 0 HB2 LYS A 111 17.270 8.561 -19.783 1.00 0.00 H new ATOM 0 HB3 LYS A 111 18.202 7.425 -18.828 1.00 0.00 H new ATOM 0 HG2 LYS A 111 17.555 5.560 -20.275 1.00 0.00 H new ATOM 0 HG3 LYS A 111 16.389 6.553 -21.127 1.00 0.00 H new ATOM 0 HD2 LYS A 111 18.256 8.021 -21.953 1.00 0.00 H new ATOM 0 HD3 LYS A 111 19.416 7.006 -21.119 1.00 0.00 H new ATOM 0 HE2 LYS A 111 18.766 5.051 -22.459 1.00 0.00 H new ATOM 0 HE3 LYS A 111 17.436 5.933 -23.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 19.574 5.727 -24.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 18.879 7.273 -24.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 20.226 6.881 -23.441 1.00 0.00 H new ATOM 1657 N ALA A 112 15.330 9.135 -17.216 1.00 0.00 N ATOM 1658 CA ALA A 112 15.237 9.941 -16.007 1.00 0.00 C ATOM 1659 C ALA A 112 14.259 9.314 -15.015 1.00 0.00 C ATOM 1660 O ALA A 112 14.480 9.380 -13.806 1.00 0.00 O ATOM 1661 CB ALA A 112 14.798 11.357 -16.379 1.00 0.00 C ATOM 0 H ALA A 112 14.781 9.490 -17.999 1.00 0.00 H new ATOM 0 HA ALA A 112 16.215 9.984 -15.527 1.00 0.00 H new ATOM 0 HB1 ALA A 112 14.727 11.965 -15.477 1.00 0.00 H new ATOM 0 HB2 ALA A 112 15.529 11.798 -17.057 1.00 0.00 H new ATOM 0 HB3 ALA A 112 13.825 11.319 -16.869 1.00 0.00 H new ATOM 1667 N LEU A 113 13.181 8.698 -15.513 1.00 0.00 N ATOM 1668 CA LEU A 113 12.245 7.985 -14.656 1.00 0.00 C ATOM 1669 C LEU A 113 12.874 6.663 -14.215 1.00 0.00 C ATOM 1670 O LEU A 113 12.558 6.165 -13.139 1.00 0.00 O ATOM 1671 CB LEU A 113 10.926 7.747 -15.400 1.00 0.00 C ATOM 1672 CG LEU A 113 9.898 8.872 -15.196 1.00 0.00 C ATOM 1673 CD1 LEU A 113 9.391 8.894 -13.757 1.00 0.00 C ATOM 1674 CD2 LEU A 113 10.471 10.251 -15.520 1.00 0.00 C ATOM 0 H LEU A 113 12.941 8.682 -16.504 1.00 0.00 H new ATOM 0 HA LEU A 113 12.026 8.582 -13.771 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.132 7.642 -16.465 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.493 6.804 -15.065 1.00 0.00 H new ATOM 0 HG LEU A 113 9.080 8.659 -15.884 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.665 9.699 -13.639 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.917 7.941 -13.524 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.228 9.058 -13.079 1.00 0.00 H new ATOM 0 HD21 LEU A 113 9.705 11.010 -15.360 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.323 10.453 -14.871 1.00 0.00 H new ATOM 0 HD23 LEU A 113 10.794 10.275 -16.561 1.00 0.00 H new ATOM 1686 N ALA A 114 13.766 6.091 -15.034 1.00 0.00 N ATOM 1687 CA ALA A 114 14.483 4.889 -14.640 1.00 0.00 C ATOM 1688 C ALA A 114 15.487 5.215 -13.535 1.00 0.00 C ATOM 1689 O ALA A 114 15.830 4.342 -12.741 1.00 0.00 O ATOM 1690 CB ALA A 114 15.182 4.298 -15.862 1.00 0.00 C ATOM 0 H ALA A 114 14.001 6.443 -15.962 1.00 0.00 H new ATOM 0 HA ALA A 114 13.782 4.153 -14.247 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.721 3.396 -15.572 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.440 4.049 -16.621 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.884 5.026 -16.267 1.00 0.00 H new ATOM 1696 N ALA A 115 15.956 6.465 -13.480 1.00 0.00 N ATOM 1697 CA ALA A 115 16.866 6.926 -12.443 1.00 0.00 C ATOM 1698 C ALA A 115 16.111 7.431 -11.208 1.00 0.00 C ATOM 1699 O ALA A 115 16.721 7.613 -10.156 1.00 0.00 O ATOM 1700 CB ALA A 115 17.766 8.019 -13.024 1.00 0.00 C ATOM 0 H ALA A 115 15.710 7.184 -14.160 1.00 0.00 H new ATOM 0 HA ALA A 115 17.478 6.087 -12.112 1.00 0.00 H new ATOM 0 HB1 ALA A 115 18.453 8.372 -12.255 1.00 0.00 H new ATOM 0 HB2 ALA A 115 18.336 7.615 -13.861 1.00 0.00 H new ATOM 0 HB3 ALA A 115 17.152 8.850 -13.371 1.00 0.00 H new ATOM 1706 N LEU A 116 14.798 7.658 -11.331 1.00 0.00 N ATOM 1707 CA LEU A 116 13.984 8.137 -10.225 1.00 0.00 C ATOM 1708 C LEU A 116 13.387 6.971 -9.435 1.00 0.00 C ATOM 1709 O LEU A 116 13.227 7.067 -8.223 1.00 0.00 O ATOM 1710 CB LEU A 116 12.881 9.041 -10.793 1.00 0.00 C ATOM 1711 CG LEU A 116 12.011 9.673 -9.698 1.00 0.00 C ATOM 1712 CD1 LEU A 116 12.804 10.681 -8.867 1.00 0.00 C ATOM 1713 CD2 LEU A 116 10.837 10.402 -10.343 1.00 0.00 C ATOM 0 H LEU A 116 14.279 7.514 -12.197 1.00 0.00 H new ATOM 0 HA LEU A 116 14.604 8.705 -9.531 1.00 0.00 H new ATOM 0 HB2 LEU A 116 13.336 9.831 -11.391 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.249 8.458 -11.463 1.00 0.00 H new ATOM 0 HG LEU A 116 11.663 8.873 -9.045 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.158 11.110 -8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 116 13.646 10.178 -8.392 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.175 11.475 -9.515 1.00 0.00 H new ATOM 0 HD21 LEU A 116 10.217 10.852 -9.567 1.00 0.00 H new ATOM 0 HD22 LEU A 116 11.213 11.182 -11.005 1.00 0.00 H new ATOM 0 HD23 LEU A 116 10.241 9.694 -10.918 1.00 0.00 H new ATOM 1725 N LEU A 117 13.061 5.871 -10.124 1.00 0.00 N ATOM 1726 CA LEU A 117 12.428 4.713 -9.511 1.00 0.00 C ATOM 1727 C LEU A 117 13.456 3.661 -9.084 1.00 0.00 C ATOM 1728 O LEU A 117 13.074 2.620 -8.551 1.00 0.00 O ATOM 1729 CB LEU A 117 11.390 4.118 -10.473 1.00 0.00 C ATOM 1730 CG LEU A 117 10.030 4.830 -10.415 1.00 0.00 C ATOM 1731 CD1 LEU A 117 10.085 6.281 -10.890 1.00 0.00 C ATOM 1732 CD2 LEU A 117 9.038 4.076 -11.300 1.00 0.00 C ATOM 0 H LEU A 117 13.232 5.766 -11.124 1.00 0.00 H new ATOM 0 HA LEU A 117 11.921 5.042 -8.604 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.776 4.170 -11.491 1.00 0.00 H new ATOM 0 HB3 LEU A 117 11.250 3.063 -10.238 1.00 0.00 H new ATOM 0 HG LEU A 117 9.723 4.838 -9.369 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.091 6.724 -10.823 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.776 6.843 -10.262 1.00 0.00 H new ATOM 0 HD13 LEU A 117 10.427 6.312 -11.924 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.069 4.574 -11.266 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.403 4.063 -12.327 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.933 3.053 -10.939 1.00 0.00 H new ATOM 1744 N VAL A 118 14.752 3.917 -9.308 1.00 0.00 N ATOM 1745 CA VAL A 118 15.825 2.999 -8.929 1.00 0.00 C ATOM 1746 C VAL A 118 16.965 3.778 -8.278 1.00 0.00 C ATOM 1747 O VAL A 118 17.199 3.548 -7.071 1.00 0.00 O ATOM 1748 CB VAL A 118 16.321 2.216 -10.152 1.00 0.00 C ATOM 1749 CG1 VAL A 118 17.405 1.224 -9.728 1.00 0.00 C ATOM 1750 CG2 VAL A 118 15.178 1.433 -10.798 1.00 0.00 C ATOM 0 H VAL A 118 15.083 4.770 -9.759 1.00 0.00 H new ATOM 0 HA VAL A 118 15.440 2.279 -8.207 1.00 0.00 H new ATOM 0 HB VAL A 118 16.720 2.933 -10.870 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.753 0.671 -10.600 1.00 0.00 H new ATOM 0 HG12 VAL A 118 18.240 1.766 -9.284 1.00 0.00 H new ATOM 0 HG13 VAL A 118 16.995 0.527 -8.997 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.555 0.886 -11.663 1.00 0.00 H new ATOM 0 HG22 VAL A 118 14.765 0.729 -10.075 1.00 0.00 H new ATOM 0 HG23 VAL A 118 14.398 2.124 -11.117 1.00 0.00 H new TER 1760 VAL A 118