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= 0.0647 USER MOD Set 1.2: A 6 GLN : amide:sc= -0.654 K(o=-0.59,f=-3!) USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0303 (180deg=-0.316) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0321 (180deg=0) USER MOD Single : A 2 SER OG : rot 158:sc= 0.225 USER MOD Single : A 18 MET CE :methyl 165:sc= -0.0366 (180deg=-0.349) USER MOD Single : A 19 MET CE :methyl 138:sc= -0.181 (180deg=-0.648) USER MOD Single : A 29 LYS NZ :NH3+ -155:sc= -0.768 (180deg=-2.3!) 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= -0.043 K(o=-0.043,f=-2.9) USER MOD Single : A 64 LYS NZ :NH3+ 168:sc=-0.00559 (180deg=-0.179) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -150:sc= -0.0864 USER MOD Single : A 83 THR OG1 : rot 180:sc=-0.00974 USER MOD Single : A 86 SER OG : rot 180:sc= 0 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= -0.388 K(o=-0.39,f=-4!) USER MOD Single : A 102 LYS NZ :NH3+ 151:sc= 1.95 (180deg=1.26) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.219 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.180 -1.663 -0.527 1.00 0.00 N ATOM 2 CA MET A 1 7.459 -1.001 -1.815 1.00 0.00 C ATOM 3 C MET A 1 6.205 -0.309 -2.341 1.00 0.00 C ATOM 4 O MET A 1 5.100 -0.814 -2.155 1.00 0.00 O ATOM 5 CB MET A 1 8.008 -2.012 -2.831 1.00 0.00 C ATOM 6 CG MET A 1 8.410 -1.322 -4.138 1.00 0.00 C ATOM 7 SD MET A 1 9.097 -2.428 -5.398 1.00 0.00 S ATOM 8 CE MET A 1 10.626 -2.944 -4.571 1.00 0.00 C ATOM 0 H1 MET A 1 7.704 -2.560 -0.477 1.00 0.00 H new ATOM 0 H2 MET A 1 7.478 -1.044 0.253 1.00 0.00 H new ATOM 0 H3 MET A 1 6.161 -1.853 -0.448 1.00 0.00 H new ATOM 0 HA MET A 1 8.221 -0.238 -1.659 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.871 -2.525 -2.407 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.254 -2.772 -3.035 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.535 -0.821 -4.552 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.144 -0.548 -3.914 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.287 -3.423 -5.294 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.123 -2.071 -4.148 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.389 -3.648 -3.774 1.00 0.00 H new ATOM 20 N SER A 2 6.376 0.843 -2.994 1.00 0.00 N ATOM 21 CA SER A 2 5.272 1.615 -3.547 1.00 0.00 C ATOM 22 C SER A 2 5.589 2.154 -4.944 1.00 0.00 C ATOM 23 O SER A 2 4.749 2.818 -5.548 1.00 0.00 O ATOM 24 CB SER A 2 4.951 2.777 -2.609 1.00 0.00 C ATOM 25 OG SER A 2 6.059 3.649 -2.540 1.00 0.00 O ATOM 0 H SER A 2 7.291 1.265 -3.152 1.00 0.00 H new ATOM 0 HA SER A 2 4.412 0.951 -3.639 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.073 3.315 -2.967 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.710 2.400 -1.615 1.00 0.00 H new ATOM 0 HG SER A 2 5.760 4.536 -2.250 1.00 0.00 H new ATOM 31 N ALA A 3 6.798 1.875 -5.453 1.00 0.00 N ATOM 32 CA ALA A 3 7.283 2.374 -6.736 1.00 0.00 C ATOM 33 C ALA A 3 7.204 3.898 -6.854 1.00 0.00 C ATOM 34 O ALA A 3 7.323 4.435 -7.955 1.00 0.00 O ATOM 35 CB ALA A 3 6.558 1.659 -7.878 1.00 0.00 C ATOM 0 H ALA A 3 7.475 1.284 -4.970 1.00 0.00 H new ATOM 0 HA ALA A 3 8.346 2.143 -6.805 1.00 0.00 H new ATOM 0 HB1 ALA A 3 6.924 2.035 -8.833 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.746 0.587 -7.814 1.00 0.00 H new ATOM 0 HB3 ALA A 3 5.487 1.844 -7.801 1.00 0.00 H new ATOM 41 N LEU A 4 7.003 4.588 -5.724 1.00 0.00 N ATOM 42 CA LEU A 4 6.928 6.042 -5.621 1.00 0.00 C ATOM 43 C LEU A 4 6.155 6.641 -6.789 1.00 0.00 C ATOM 44 O LEU A 4 6.675 7.494 -7.508 1.00 0.00 O ATOM 45 CB LEU A 4 8.302 6.691 -5.402 1.00 0.00 C ATOM 46 CG LEU A 4 9.324 6.407 -6.505 1.00 0.00 C ATOM 47 CD1 LEU A 4 10.269 7.595 -6.660 1.00 0.00 C ATOM 48 CD2 LEU A 4 10.172 5.189 -6.156 1.00 0.00 C ATOM 0 H LEU A 4 6.884 4.125 -4.823 1.00 0.00 H new ATOM 0 HA LEU A 4 6.359 6.276 -4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.170 7.770 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.706 6.343 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 4 8.772 6.227 -7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 4 10.993 7.384 -7.447 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.696 8.484 -6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 4 10.794 7.767 -5.721 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.891 5.006 -6.954 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.704 5.372 -5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.527 4.318 -6.042 1.00 0.00 H new ATOM 60 N THR A 5 4.914 6.200 -6.995 1.00 0.00 N ATOM 61 CA THR A 5 4.136 6.608 -8.152 1.00 0.00 C ATOM 62 C THR A 5 3.720 8.071 -8.049 1.00 0.00 C ATOM 63 O THR A 5 3.169 8.615 -9.000 1.00 0.00 O ATOM 64 CB THR A 5 2.899 5.725 -8.313 1.00 0.00 C ATOM 65 OG1 THR A 5 2.369 5.362 -7.057 1.00 0.00 O ATOM 66 CG2 THR A 5 3.273 4.449 -9.059 1.00 0.00 C ATOM 0 H THR A 5 4.429 5.557 -6.369 1.00 0.00 H new ATOM 0 HA THR A 5 4.770 6.491 -9.031 1.00 0.00 H new ATOM 0 HB THR A 5 2.153 6.292 -8.869 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.577 4.799 -7.186 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.389 3.821 -9.172 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.665 4.705 -10.043 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.033 3.907 -8.495 1.00 0.00 H new ATOM 74 N GLN A 6 3.980 8.707 -6.904 1.00 0.00 N ATOM 75 CA GLN A 6 3.575 10.075 -6.657 1.00 0.00 C ATOM 76 C GLN A 6 4.762 11.026 -6.714 1.00 0.00 C ATOM 77 O GLN A 6 5.658 10.950 -5.872 1.00 0.00 O ATOM 78 CB GLN A 6 2.900 10.148 -5.289 1.00 0.00 C ATOM 79 CG GLN A 6 1.566 9.393 -5.283 1.00 0.00 C ATOM 80 CD GLN A 6 1.719 7.890 -5.070 1.00 0.00 C ATOM 81 OE1 GLN A 6 2.792 7.390 -4.746 1.00 0.00 O ATOM 82 NE2 GLN A 6 0.624 7.154 -5.260 1.00 0.00 N ATOM 0 H GLN A 6 4.480 8.278 -6.125 1.00 0.00 H new ATOM 0 HA GLN A 6 2.876 10.383 -7.435 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.562 9.727 -4.532 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.731 11.191 -5.020 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.930 9.801 -4.497 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.054 9.568 -6.229 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.252 7.603 -5.529 1.00 0.00 H new ATOM 0 HE22 GLN A 6 0.662 6.142 -5.136 1.00 0.00 H new ATOM 91 N ILE A 7 4.755 11.918 -7.709 1.00 0.00 N ATOM 92 CA ILE A 7 5.862 12.828 -7.971 1.00 0.00 C ATOM 93 C ILE A 7 5.371 14.275 -7.957 1.00 0.00 C ATOM 94 O ILE A 7 4.416 14.610 -8.654 1.00 0.00 O ATOM 95 CB ILE A 7 6.493 12.489 -9.330 1.00 0.00 C ATOM 96 CG1 ILE A 7 6.748 10.982 -9.497 1.00 0.00 C ATOM 97 CG2 ILE A 7 7.790 13.280 -9.506 1.00 0.00 C ATOM 98 CD1 ILE A 7 7.716 10.413 -8.459 1.00 0.00 C ATOM 0 H ILE A 7 3.974 12.026 -8.356 1.00 0.00 H new ATOM 0 HA ILE A 7 6.614 12.714 -7.190 1.00 0.00 H new ATOM 0 HB ILE A 7 5.784 12.774 -10.107 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.799 10.450 -9.428 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.146 10.796 -10.495 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.236 13.038 -10.471 1.00 0.00 H new ATOM 0 HG22 ILE A 7 7.574 14.347 -9.464 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.486 13.019 -8.709 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.851 9.346 -8.634 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.678 10.919 -8.542 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.310 10.568 -7.459 1.00 0.00 H new ATOM 110 N LEU A 8 6.025 15.127 -7.164 1.00 0.00 N ATOM 111 CA LEU A 8 5.696 16.547 -7.097 1.00 0.00 C ATOM 112 C LEU A 8 6.577 17.305 -8.089 1.00 0.00 C ATOM 113 O LEU A 8 7.777 17.049 -8.170 1.00 0.00 O ATOM 114 CB LEU A 8 5.910 17.041 -5.656 1.00 0.00 C ATOM 115 CG LEU A 8 4.988 18.188 -5.225 1.00 0.00 C ATOM 116 CD1 LEU A 8 5.432 18.691 -3.855 1.00 0.00 C ATOM 117 CD2 LEU A 8 5.004 19.379 -6.179 1.00 0.00 C ATOM 0 H LEU A 8 6.794 14.850 -6.554 1.00 0.00 H new ATOM 0 HA LEU A 8 4.654 16.720 -7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.766 16.203 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.945 17.366 -5.548 1.00 0.00 H new ATOM 0 HG LEU A 8 3.976 17.782 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.782 19.507 -3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.371 17.878 -3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.460 19.048 -3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.328 20.150 -5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.015 19.782 -6.241 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.680 19.057 -7.169 1.00 0.00 H new ATOM 129 N ILE A 9 5.993 18.241 -8.842 1.00 0.00 N ATOM 130 CA ILE A 9 6.720 19.060 -9.801 1.00 0.00 C ATOM 131 C ILE A 9 6.942 20.458 -9.229 1.00 0.00 C ATOM 132 O ILE A 9 6.014 21.070 -8.703 1.00 0.00 O ATOM 133 CB ILE A 9 5.933 19.103 -11.119 1.00 0.00 C ATOM 134 CG1 ILE A 9 5.887 17.695 -11.725 1.00 0.00 C ATOM 135 CG2 ILE A 9 6.573 20.081 -12.108 1.00 0.00 C ATOM 136 CD1 ILE A 9 4.925 17.623 -12.910 1.00 0.00 C ATOM 0 H ILE A 9 4.995 18.449 -8.799 1.00 0.00 H new ATOM 0 HA ILE A 9 7.701 18.629 -9.999 1.00 0.00 H new ATOM 0 HB ILE A 9 4.920 19.449 -10.913 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.887 17.405 -12.049 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.579 16.980 -10.962 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.996 20.093 -13.033 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.584 21.081 -11.675 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.595 19.766 -12.321 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.919 16.610 -13.313 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.921 17.888 -12.580 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.248 18.320 -13.684 1.00 0.00 H new ATOM 148 N VAL A 10 8.175 20.965 -9.330 1.00 0.00 N ATOM 149 CA VAL A 10 8.523 22.304 -8.872 1.00 0.00 C ATOM 150 C VAL A 10 9.310 23.009 -9.969 1.00 0.00 C ATOM 151 O VAL A 10 10.382 22.545 -10.350 1.00 0.00 O ATOM 152 CB VAL A 10 9.345 22.225 -7.583 1.00 0.00 C ATOM 153 CG1 VAL A 10 9.559 23.629 -7.018 1.00 0.00 C ATOM 154 CG2 VAL A 10 8.654 21.359 -6.528 1.00 0.00 C ATOM 0 H VAL A 10 8.959 20.452 -9.734 1.00 0.00 H new ATOM 0 HA VAL A 10 7.616 22.869 -8.658 1.00 0.00 H new ATOM 0 HB VAL A 10 10.304 21.768 -7.828 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.145 23.567 -6.101 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.092 24.238 -7.748 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.593 24.085 -6.802 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.266 21.326 -5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.679 21.785 -6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.523 20.349 -6.915 1.00 0.00 H new ATOM 164 N GLU A 11 8.781 24.123 -10.473 1.00 0.00 N ATOM 165 CA GLU A 11 9.384 24.852 -11.581 1.00 0.00 C ATOM 166 C GLU A 11 9.036 26.337 -11.479 1.00 0.00 C ATOM 167 O GLU A 11 7.912 26.695 -11.131 1.00 0.00 O ATOM 168 CB GLU A 11 8.873 24.241 -12.887 1.00 0.00 C ATOM 169 CG GLU A 11 9.448 24.909 -14.134 1.00 0.00 C ATOM 170 CD GLU A 11 10.963 24.761 -14.256 1.00 0.00 C ATOM 171 OE1 GLU A 11 11.480 23.683 -13.884 1.00 0.00 O ATOM 172 OE2 GLU A 11 11.597 25.732 -14.730 1.00 0.00 O ATOM 0 H GLU A 11 7.921 24.544 -10.122 1.00 0.00 H new ATOM 0 HA GLU A 11 10.471 24.772 -11.551 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.121 23.180 -12.905 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.786 24.314 -12.913 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.976 24.480 -15.018 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.194 25.969 -14.120 1.00 0.00 H new ATOM 179 N ASP A 12 10.001 27.210 -11.782 1.00 0.00 N ATOM 180 CA ASP A 12 9.846 28.651 -11.628 1.00 0.00 C ATOM 181 C ASP A 12 9.281 29.328 -12.881 1.00 0.00 C ATOM 182 O ASP A 12 9.180 30.554 -12.928 1.00 0.00 O ATOM 183 CB ASP A 12 11.189 29.243 -11.201 1.00 0.00 C ATOM 184 CG ASP A 12 11.078 30.705 -10.774 1.00 0.00 C ATOM 185 OD1 ASP A 12 11.947 31.494 -11.209 1.00 0.00 O ATOM 186 OD2 ASP A 12 10.132 31.026 -10.022 1.00 0.00 O ATOM 0 H ASP A 12 10.914 26.931 -12.142 1.00 0.00 H new ATOM 0 HA ASP A 12 9.104 28.843 -10.853 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.594 28.657 -10.376 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.896 29.162 -12.026 1.00 0.00 H new ATOM 191 N GLU A 13 8.913 28.550 -13.902 1.00 0.00 N ATOM 192 CA GLU A 13 8.341 29.079 -15.133 1.00 0.00 C ATOM 193 C GLU A 13 7.139 28.234 -15.556 1.00 0.00 C ATOM 194 O GLU A 13 7.186 27.009 -15.461 1.00 0.00 O ATOM 195 CB GLU A 13 9.404 29.105 -16.235 1.00 0.00 C ATOM 196 CG GLU A 13 10.521 30.092 -15.887 1.00 0.00 C ATOM 197 CD GLU A 13 11.589 30.153 -16.977 1.00 0.00 C ATOM 198 OE1 GLU A 13 12.775 30.312 -16.604 1.00 0.00 O ATOM 199 OE2 GLU A 13 11.226 30.044 -18.169 1.00 0.00 O ATOM 0 H GLU A 13 9.005 27.534 -13.894 1.00 0.00 H new ATOM 0 HA GLU A 13 8.000 30.100 -14.961 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.822 28.107 -16.367 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.945 29.387 -17.183 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.095 31.085 -15.740 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.982 29.800 -14.943 1.00 0.00 H new ATOM 206 N PRO A 14 6.052 28.869 -16.023 1.00 0.00 N ATOM 207 CA PRO A 14 4.809 28.191 -16.347 1.00 0.00 C ATOM 208 C PRO A 14 4.903 27.382 -17.642 1.00 0.00 C ATOM 209 O PRO A 14 4.121 26.452 -17.839 1.00 0.00 O ATOM 210 CB PRO A 14 3.784 29.318 -16.487 1.00 0.00 C ATOM 211 CG PRO A 14 4.628 30.487 -16.995 1.00 0.00 C ATOM 212 CD PRO A 14 5.942 30.299 -16.243 1.00 0.00 C ATOM 0 HA PRO A 14 4.543 27.466 -15.578 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.991 29.058 -17.188 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.305 29.549 -15.535 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.769 30.446 -18.075 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.166 31.448 -16.770 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.785 30.674 -16.823 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.937 30.844 -15.299 1.00 0.00 H new ATOM 220 N LEU A 15 5.848 27.712 -18.526 1.00 0.00 N ATOM 221 CA LEU A 15 5.998 26.994 -19.782 1.00 0.00 C ATOM 222 C LEU A 15 6.743 25.681 -19.554 1.00 0.00 C ATOM 223 O LEU A 15 6.440 24.672 -20.189 1.00 0.00 O ATOM 224 CB LEU A 15 6.740 27.893 -20.778 1.00 0.00 C ATOM 225 CG LEU A 15 6.943 27.219 -22.139 1.00 0.00 C ATOM 226 CD1 LEU A 15 5.610 26.852 -22.787 1.00 0.00 C ATOM 227 CD2 LEU A 15 7.681 28.179 -23.063 1.00 0.00 C ATOM 0 H LEU A 15 6.516 28.471 -18.390 1.00 0.00 H new ATOM 0 HA LEU A 15 5.019 26.746 -20.191 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.180 28.818 -20.914 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.710 28.166 -20.363 1.00 0.00 H new ATOM 0 HG LEU A 15 7.517 26.306 -21.982 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.793 26.376 -23.750 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.068 26.163 -22.139 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.017 27.754 -22.935 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.830 27.707 -24.034 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.093 29.088 -23.188 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.649 28.430 -22.629 1.00 0.00 H new ATOM 239 N ILE A 16 7.722 25.689 -18.644 1.00 0.00 N ATOM 240 CA ILE A 16 8.486 24.492 -18.336 1.00 0.00 C ATOM 241 C ILE A 16 7.697 23.626 -17.357 1.00 0.00 C ATOM 242 O ILE A 16 7.856 22.408 -17.351 1.00 0.00 O ATOM 243 CB ILE A 16 9.857 24.898 -17.772 1.00 0.00 C ATOM 244 CG1 ILE A 16 10.625 25.801 -18.748 1.00 0.00 C ATOM 245 CG2 ILE A 16 10.693 23.657 -17.454 1.00 0.00 C ATOM 246 CD1 ILE A 16 10.888 25.148 -20.104 1.00 0.00 C ATOM 0 H ILE A 16 7.998 26.514 -18.112 1.00 0.00 H new ATOM 0 HA ILE A 16 8.656 23.903 -19.237 1.00 0.00 H new ATOM 0 HB ILE A 16 9.679 25.460 -16.855 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.061 26.721 -18.900 1.00 0.00 H new ATOM 0 HG13 ILE A 16 11.577 26.082 -18.298 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.661 23.962 -17.056 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.173 23.047 -16.715 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.842 23.076 -18.364 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.434 25.842 -20.742 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.479 24.243 -19.963 1.00 0.00 H new ATOM 0 HD13 ILE A 16 9.939 24.892 -20.575 1.00 0.00 H new ATOM 258 N ALA A 17 6.838 24.236 -16.532 1.00 0.00 N ATOM 259 CA ALA A 17 6.013 23.484 -15.604 1.00 0.00 C ATOM 260 C ALA A 17 4.991 22.654 -16.374 1.00 0.00 C ATOM 261 O ALA A 17 4.656 21.544 -15.964 1.00 0.00 O ATOM 262 CB ALA A 17 5.313 24.461 -14.659 1.00 0.00 C ATOM 0 H ALA A 17 6.703 25.246 -16.495 1.00 0.00 H new ATOM 0 HA ALA A 17 6.634 22.804 -15.020 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.690 23.906 -13.957 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.060 25.032 -14.108 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.689 25.142 -15.237 1.00 0.00 H new ATOM 268 N MET A 18 4.494 23.188 -17.493 1.00 0.00 N ATOM 269 CA MET A 18 3.541 22.484 -18.334 1.00 0.00 C ATOM 270 C MET A 18 4.241 21.370 -19.107 1.00 0.00 C ATOM 271 O MET A 18 3.628 20.349 -19.413 1.00 0.00 O ATOM 272 CB MET A 18 2.886 23.493 -19.280 1.00 0.00 C ATOM 273 CG MET A 18 1.807 22.824 -20.132 1.00 0.00 C ATOM 274 SD MET A 18 0.914 23.957 -21.227 1.00 0.00 S ATOM 275 CE MET A 18 2.273 24.488 -22.300 1.00 0.00 C ATOM 0 H MET A 18 4.744 24.116 -17.834 1.00 0.00 H new ATOM 0 HA MET A 18 2.769 22.019 -17.720 1.00 0.00 H new ATOM 0 HB2 MET A 18 2.446 24.306 -18.702 1.00 0.00 H new ATOM 0 HB3 MET A 18 3.643 23.935 -19.927 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.269 22.043 -20.735 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.091 22.335 -19.472 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.867 24.973 -23.188 1.00 0.00 H new ATOM 0 HE2 MET A 18 2.909 25.191 -21.761 1.00 0.00 H new ATOM 0 HE3 MET A 18 2.862 23.620 -22.597 1.00 0.00 H new ATOM 285 N MET A 19 5.527 21.555 -19.423 1.00 0.00 N ATOM 286 CA MET A 19 6.291 20.540 -20.129 1.00 0.00 C ATOM 287 C MET A 19 6.647 19.388 -19.189 1.00 0.00 C ATOM 288 O MET A 19 6.745 18.244 -19.627 1.00 0.00 O ATOM 289 CB MET A 19 7.542 21.187 -20.720 1.00 0.00 C ATOM 290 CG MET A 19 8.297 20.184 -21.592 1.00 0.00 C ATOM 291 SD MET A 19 9.764 20.871 -22.403 1.00 0.00 S ATOM 292 CE MET A 19 10.763 21.229 -20.936 1.00 0.00 C ATOM 0 H MET A 19 6.053 22.399 -19.198 1.00 0.00 H new ATOM 0 HA MET A 19 5.694 20.122 -20.939 1.00 0.00 H new ATOM 0 HB2 MET A 19 7.263 22.058 -21.314 1.00 0.00 H new ATOM 0 HB3 MET A 19 8.190 21.542 -19.918 1.00 0.00 H new ATOM 0 HG2 MET A 19 8.598 19.337 -20.976 1.00 0.00 H new ATOM 0 HG3 MET A 19 7.620 19.799 -22.354 1.00 0.00 H new ATOM 0 HE1 MET A 19 11.798 20.941 -21.121 1.00 0.00 H new ATOM 0 HE2 MET A 19 10.717 22.296 -20.716 1.00 0.00 H new ATOM 0 HE3 MET A 19 10.376 20.666 -20.086 1.00 0.00 H new ATOM 302 N LEU A 20 6.837 19.674 -17.898 1.00 0.00 N ATOM 303 CA LEU A 20 7.121 18.634 -16.919 1.00 0.00 C ATOM 304 C LEU A 20 5.879 17.772 -16.690 1.00 0.00 C ATOM 305 O LEU A 20 6.005 16.588 -16.385 1.00 0.00 O ATOM 306 CB LEU A 20 7.588 19.279 -15.608 1.00 0.00 C ATOM 307 CG LEU A 20 9.106 19.207 -15.417 1.00 0.00 C ATOM 308 CD1 LEU A 20 9.523 17.767 -15.124 1.00 0.00 C ATOM 309 CD2 LEU A 20 9.868 19.730 -16.633 1.00 0.00 C ATOM 0 H LEU A 20 6.798 20.617 -17.512 1.00 0.00 H new ATOM 0 HA LEU A 20 7.915 17.989 -17.294 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.274 20.322 -15.590 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.097 18.784 -14.770 1.00 0.00 H new ATOM 0 HG LEU A 20 9.360 19.848 -14.573 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.604 17.721 -14.989 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.029 17.423 -14.215 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.234 17.128 -15.958 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.940 19.658 -16.449 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.609 19.134 -17.508 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.599 20.771 -16.811 1.00 0.00 H new ATOM 321 N GLU A 21 4.684 18.351 -16.840 1.00 0.00 N ATOM 322 CA GLU A 21 3.449 17.588 -16.747 1.00 0.00 C ATOM 323 C GLU A 21 3.234 16.778 -18.024 1.00 0.00 C ATOM 324 O GLU A 21 2.506 15.788 -18.001 1.00 0.00 O ATOM 325 CB GLU A 21 2.266 18.530 -16.505 1.00 0.00 C ATOM 326 CG GLU A 21 2.345 19.156 -15.114 1.00 0.00 C ATOM 327 CD GLU A 21 1.134 20.054 -14.863 1.00 0.00 C ATOM 328 OE1 GLU A 21 0.121 19.524 -14.354 1.00 0.00 O ATOM 329 OE2 GLU A 21 1.229 21.261 -15.177 1.00 0.00 O ATOM 0 H GLU A 21 4.552 19.345 -17.026 1.00 0.00 H new ATOM 0 HA GLU A 21 3.522 16.898 -15.907 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.260 19.315 -17.262 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.331 17.980 -16.608 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.387 18.372 -14.358 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.262 19.738 -15.022 1.00 0.00 H new ATOM 336 N ASP A 22 3.860 17.179 -19.138 1.00 0.00 N ATOM 337 CA ASP A 22 3.721 16.446 -20.384 1.00 0.00 C ATOM 338 C ASP A 22 4.531 15.152 -20.334 1.00 0.00 C ATOM 339 O ASP A 22 4.039 14.107 -20.754 1.00 0.00 O ATOM 340 CB ASP A 22 4.149 17.333 -21.553 1.00 0.00 C ATOM 341 CG ASP A 22 3.879 16.640 -22.888 1.00 0.00 C ATOM 342 OD1 ASP A 22 2.689 16.548 -23.260 1.00 0.00 O ATOM 343 OD2 ASP A 22 4.865 16.208 -23.527 1.00 0.00 O ATOM 0 H ASP A 22 4.461 18.001 -19.193 1.00 0.00 H new ATOM 0 HA ASP A 22 2.676 16.172 -20.529 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.609 18.279 -21.514 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.210 17.567 -21.468 1.00 0.00 H new ATOM 348 N PHE A 23 5.770 15.203 -19.826 1.00 0.00 N ATOM 349 CA PHE A 23 6.574 14.000 -19.697 1.00 0.00 C ATOM 350 C PHE A 23 6.087 13.132 -18.535 1.00 0.00 C ATOM 351 O PHE A 23 6.427 11.951 -18.465 1.00 0.00 O ATOM 352 CB PHE A 23 8.047 14.367 -19.540 1.00 0.00 C ATOM 353 CG PHE A 23 8.677 14.853 -20.826 1.00 0.00 C ATOM 354 CD1 PHE A 23 9.038 13.926 -21.813 1.00 0.00 C ATOM 355 CD2 PHE A 23 8.894 16.222 -21.045 1.00 0.00 C ATOM 356 CE1 PHE A 23 9.611 14.364 -23.017 1.00 0.00 C ATOM 357 CE2 PHE A 23 9.457 16.661 -22.252 1.00 0.00 C ATOM 358 CZ PHE A 23 9.815 15.732 -23.239 1.00 0.00 C ATOM 0 H PHE A 23 6.225 16.057 -19.504 1.00 0.00 H new ATOM 0 HA PHE A 23 6.464 13.410 -20.607 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.143 15.142 -18.780 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.596 13.497 -19.180 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.875 12.871 -21.647 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.627 16.939 -20.283 1.00 0.00 H new ATOM 0 HE1 PHE A 23 9.895 13.646 -23.772 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.615 17.716 -22.421 1.00 0.00 H new ATOM 0 HZ PHE A 23 10.247 16.070 -24.169 1.00 0.00 H new ATOM 368 N LEU A 24 5.291 13.701 -17.623 1.00 0.00 N ATOM 369 CA LEU A 24 4.703 12.929 -16.540 1.00 0.00 C ATOM 370 C LEU A 24 3.653 11.964 -17.103 1.00 0.00 C ATOM 371 O LEU A 24 3.444 10.883 -16.555 1.00 0.00 O ATOM 372 CB LEU A 24 4.075 13.889 -15.526 1.00 0.00 C ATOM 373 CG LEU A 24 3.672 13.186 -14.230 1.00 0.00 C ATOM 374 CD1 LEU A 24 4.910 12.779 -13.431 1.00 0.00 C ATOM 375 CD2 LEU A 24 2.832 14.130 -13.375 1.00 0.00 C ATOM 0 H LEU A 24 5.044 14.691 -17.619 1.00 0.00 H new ATOM 0 HA LEU A 24 5.472 12.341 -16.039 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.782 14.687 -15.299 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.197 14.358 -15.970 1.00 0.00 H new ATOM 0 HG LEU A 24 3.099 12.295 -14.488 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.602 12.280 -12.512 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.520 12.099 -14.026 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.492 13.667 -13.184 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.546 13.627 -12.451 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.414 15.021 -13.138 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.936 14.418 -13.924 1.00 0.00 H new ATOM 387 N GLU A 25 2.996 12.355 -18.202 1.00 0.00 N ATOM 388 CA GLU A 25 2.009 11.513 -18.861 1.00 0.00 C ATOM 389 C GLU A 25 2.680 10.512 -19.804 1.00 0.00 C ATOM 390 O GLU A 25 2.103 9.469 -20.097 1.00 0.00 O ATOM 391 CB GLU A 25 1.019 12.389 -19.637 1.00 0.00 C ATOM 392 CG GLU A 25 0.173 13.253 -18.700 1.00 0.00 C ATOM 393 CD GLU A 25 -0.712 12.403 -17.790 1.00 0.00 C ATOM 394 OE1 GLU A 25 -1.612 11.724 -18.333 1.00 0.00 O ATOM 395 OE2 GLU A 25 -0.485 12.442 -16.561 1.00 0.00 O ATOM 0 H GLU A 25 3.137 13.260 -18.652 1.00 0.00 H new ATOM 0 HA GLU A 25 1.473 10.948 -18.098 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.565 13.030 -20.329 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.366 11.756 -20.237 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.827 13.877 -18.091 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.451 13.925 -19.289 1.00 0.00 H new ATOM 402 N VAL A 26 3.896 10.816 -20.278 1.00 0.00 N ATOM 403 CA VAL A 26 4.650 9.884 -21.111 1.00 0.00 C ATOM 404 C VAL A 26 5.147 8.716 -20.259 1.00 0.00 C ATOM 405 O VAL A 26 5.391 7.628 -20.778 1.00 0.00 O ATOM 406 CB VAL A 26 5.811 10.624 -21.789 1.00 0.00 C ATOM 407 CG1 VAL A 26 6.730 9.668 -22.551 1.00 0.00 C ATOM 408 CG2 VAL A 26 5.264 11.637 -22.797 1.00 0.00 C ATOM 0 H VAL A 26 4.373 11.699 -20.096 1.00 0.00 H new ATOM 0 HA VAL A 26 4.007 9.478 -21.892 1.00 0.00 H new ATOM 0 HB VAL A 26 6.378 11.116 -20.999 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.538 10.233 -23.016 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.149 8.937 -21.859 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.159 9.151 -23.322 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.093 12.159 -23.275 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.678 11.116 -23.555 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.631 12.358 -22.281 1.00 0.00 H new ATOM 418 N LEU A 27 5.294 8.938 -18.950 1.00 0.00 N ATOM 419 CA LEU A 27 5.702 7.903 -18.014 1.00 0.00 C ATOM 420 C LEU A 27 4.475 7.226 -17.392 1.00 0.00 C ATOM 421 O LEU A 27 4.615 6.300 -16.595 1.00 0.00 O ATOM 422 CB LEU A 27 6.630 8.538 -16.966 1.00 0.00 C ATOM 423 CG LEU A 27 7.247 7.534 -15.984 1.00 0.00 C ATOM 424 CD1 LEU A 27 8.018 6.432 -16.710 1.00 0.00 C ATOM 425 CD2 LEU A 27 8.208 8.267 -15.055 1.00 0.00 C ATOM 0 H LEU A 27 5.131 9.846 -18.514 1.00 0.00 H new ATOM 0 HA LEU A 27 6.253 7.114 -18.526 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.433 9.067 -17.480 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.068 9.282 -16.402 1.00 0.00 H new ATOM 0 HG LEU A 27 6.434 7.074 -15.423 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.440 5.741 -15.980 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.342 5.891 -17.373 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.823 6.876 -17.296 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.649 7.558 -14.355 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.997 8.735 -15.644 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.665 9.033 -14.501 1.00 0.00 H new ATOM 437 N ASP A 28 3.267 7.680 -17.750 1.00 0.00 N ATOM 438 CA ASP A 28 2.023 7.187 -17.173 1.00 0.00 C ATOM 439 C ASP A 28 2.074 7.247 -15.644 1.00 0.00 C ATOM 440 O ASP A 28 1.531 6.385 -14.951 1.00 0.00 O ATOM 441 CB ASP A 28 1.695 5.800 -17.730 1.00 0.00 C ATOM 442 CG ASP A 28 0.303 5.328 -17.316 1.00 0.00 C ATOM 443 OD1 ASP A 28 0.187 4.149 -16.909 1.00 0.00 O ATOM 444 OD2 ASP A 28 -0.639 6.147 -17.412 1.00 0.00 O ATOM 0 H ASP A 28 3.131 8.405 -18.454 1.00 0.00 H new ATOM 0 HA ASP A 28 1.198 7.836 -17.466 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.761 5.822 -18.818 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.439 5.084 -17.380 1.00 0.00 H new ATOM 449 N LYS A 29 2.742 8.277 -15.120 1.00 0.00 N ATOM 450 CA LYS A 29 2.978 8.460 -13.695 1.00 0.00 C ATOM 451 C LYS A 29 1.785 9.170 -13.058 1.00 0.00 C ATOM 452 O LYS A 29 1.049 9.878 -13.741 1.00 0.00 O ATOM 453 CB LYS A 29 4.275 9.258 -13.548 1.00 0.00 C ATOM 454 CG LYS A 29 4.828 9.334 -12.124 1.00 0.00 C ATOM 455 CD LYS A 29 5.156 7.941 -11.587 1.00 0.00 C ATOM 456 CE LYS A 29 6.181 8.050 -10.462 1.00 0.00 C ATOM 457 NZ LYS A 29 6.823 6.747 -10.186 1.00 0.00 N ATOM 0 H LYS A 29 3.141 9.021 -15.692 1.00 0.00 H new ATOM 0 HA LYS A 29 3.084 7.506 -13.179 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.033 8.813 -14.193 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.103 10.272 -13.910 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.725 9.953 -12.111 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.099 9.816 -11.473 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.249 7.460 -11.220 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.547 7.315 -12.389 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.942 8.782 -10.732 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.693 8.415 -9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.168 6.731 -9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.131 5.983 -10.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.623 6.609 -10.836 1.00 0.00 H new ATOM 471 N THR A 30 1.592 8.980 -11.749 1.00 0.00 N ATOM 472 CA THR A 30 0.458 9.570 -11.045 1.00 0.00 C ATOM 473 C THR A 30 0.836 10.948 -10.497 1.00 0.00 C ATOM 474 O THR A 30 1.779 11.063 -9.716 1.00 0.00 O ATOM 475 CB THR A 30 -0.005 8.621 -9.932 1.00 0.00 C ATOM 476 OG1 THR A 30 -0.401 7.398 -10.509 1.00 0.00 O ATOM 477 CG2 THR A 30 -1.195 9.206 -9.176 1.00 0.00 C ATOM 0 H THR A 30 2.209 8.422 -11.159 1.00 0.00 H new ATOM 0 HA THR A 30 -0.373 9.711 -11.736 1.00 0.00 H new ATOM 0 HB THR A 30 0.821 8.475 -9.236 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.697 6.785 -9.804 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.504 8.514 -8.392 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.909 10.158 -8.728 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.023 9.365 -9.867 1.00 0.00 H new ATOM 485 N PRO A 31 0.111 12.003 -10.894 1.00 0.00 N ATOM 486 CA PRO A 31 0.342 13.357 -10.422 1.00 0.00 C ATOM 487 C PRO A 31 -0.209 13.534 -9.010 1.00 0.00 C ATOM 488 O PRO A 31 -1.124 12.819 -8.597 1.00 0.00 O ATOM 489 CB PRO A 31 -0.401 14.249 -11.415 1.00 0.00 C ATOM 490 CG PRO A 31 -1.590 13.378 -11.814 1.00 0.00 C ATOM 491 CD PRO A 31 -0.985 11.977 -11.842 1.00 0.00 C ATOM 0 HA PRO A 31 1.403 13.602 -10.370 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.719 15.187 -10.959 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.220 14.506 -12.273 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.406 13.452 -11.095 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.994 13.664 -12.785 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.725 11.226 -11.565 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.632 11.723 -12.841 1.00 0.00 H new ATOM 499 N VAL A 32 0.345 14.495 -8.264 1.00 0.00 N ATOM 500 CA VAL A 32 -0.117 14.808 -6.918 1.00 0.00 C ATOM 501 C VAL A 32 -0.174 16.312 -6.674 1.00 0.00 C ATOM 502 O VAL A 32 -0.854 16.762 -5.753 1.00 0.00 O ATOM 503 CB VAL A 32 0.791 14.142 -5.876 1.00 0.00 C ATOM 504 CG1 VAL A 32 0.764 12.621 -6.026 1.00 0.00 C ATOM 505 CG2 VAL A 32 2.238 14.623 -6.006 1.00 0.00 C ATOM 0 H VAL A 32 1.124 15.073 -8.580 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.129 14.416 -6.820 1.00 0.00 H new ATOM 0 HB VAL A 32 0.409 14.423 -4.895 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.415 12.170 -5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.255 12.260 -5.886 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.113 12.347 -7.022 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.854 14.131 -5.253 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.615 14.378 -6.999 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.277 15.702 -5.859 1.00 0.00 H new ATOM 515 N GLY A 33 0.532 17.096 -7.496 1.00 0.00 N ATOM 516 CA GLY A 33 0.500 18.544 -7.404 1.00 0.00 C ATOM 517 C GLY A 33 1.652 19.170 -8.180 1.00 0.00 C ATOM 518 O GLY A 33 2.586 18.479 -8.588 1.00 0.00 O ATOM 0 H GLY A 33 1.136 16.739 -8.237 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.448 18.915 -7.793 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.556 18.846 -6.358 1.00 0.00 H new ATOM 522 N THR A 34 1.573 20.486 -8.378 1.00 0.00 N ATOM 523 CA THR A 34 2.628 21.275 -8.996 1.00 0.00 C ATOM 524 C THR A 34 2.676 22.631 -8.304 1.00 0.00 C ATOM 525 O THR A 34 1.630 23.210 -8.005 1.00 0.00 O ATOM 526 CB THR A 34 2.365 21.445 -10.497 1.00 0.00 C ATOM 527 OG1 THR A 34 2.306 20.188 -11.129 1.00 0.00 O ATOM 528 CG2 THR A 34 3.471 22.267 -11.159 1.00 0.00 C ATOM 0 H THR A 34 0.759 21.038 -8.108 1.00 0.00 H new ATOM 0 HA THR A 34 3.586 20.767 -8.885 1.00 0.00 H new ATOM 0 HB THR A 34 1.413 21.965 -10.605 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.136 20.311 -12.086 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.259 22.372 -12.223 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.516 23.254 -10.699 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.428 21.762 -11.028 1.00 0.00 H new ATOM 536 N VAL A 35 3.879 23.142 -8.045 1.00 0.00 N ATOM 537 CA VAL A 35 4.069 24.405 -7.341 1.00 0.00 C ATOM 538 C VAL A 35 5.173 25.228 -8.006 1.00 0.00 C ATOM 539 O VAL A 35 5.988 24.696 -8.756 1.00 0.00 O ATOM 540 CB VAL A 35 4.381 24.144 -5.861 1.00 0.00 C ATOM 541 CG1 VAL A 35 3.198 23.483 -5.155 1.00 0.00 C ATOM 542 CG2 VAL A 35 5.596 23.235 -5.693 1.00 0.00 C ATOM 0 H VAL A 35 4.751 22.689 -8.319 1.00 0.00 H new ATOM 0 HA VAL A 35 3.146 24.983 -7.395 1.00 0.00 H new ATOM 0 HB VAL A 35 4.587 25.117 -5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.449 23.311 -4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.327 24.135 -5.217 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.973 22.531 -5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.786 23.073 -4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.404 22.278 -6.177 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.467 23.704 -6.150 1.00 0.00 H new ATOM 552 N ASP A 36 5.191 26.532 -7.722 1.00 0.00 N ATOM 553 CA ASP A 36 6.135 27.465 -8.320 1.00 0.00 C ATOM 554 C ASP A 36 7.119 28.036 -7.299 1.00 0.00 C ATOM 555 O ASP A 36 7.917 28.912 -7.637 1.00 0.00 O ATOM 556 CB ASP A 36 5.367 28.575 -9.046 1.00 0.00 C ATOM 557 CG ASP A 36 4.657 29.530 -8.081 1.00 0.00 C ATOM 558 OD1 ASP A 36 4.490 30.709 -8.467 1.00 0.00 O ATOM 559 OD2 ASP A 36 4.284 29.085 -6.973 1.00 0.00 O ATOM 0 H ASP A 36 4.544 26.969 -7.065 1.00 0.00 H new ATOM 0 HA ASP A 36 6.740 26.919 -9.044 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.058 29.142 -9.669 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.631 28.126 -9.713 1.00 0.00 H new ATOM 564 N THR A 37 7.071 27.549 -6.056 1.00 0.00 N ATOM 565 CA THR A 37 7.948 28.011 -4.987 1.00 0.00 C ATOM 566 C THR A 37 8.450 26.811 -4.193 1.00 0.00 C ATOM 567 O THR A 37 7.711 25.848 -3.994 1.00 0.00 O ATOM 568 CB THR A 37 7.202 29.004 -4.084 1.00 0.00 C ATOM 569 OG1 THR A 37 6.630 30.035 -4.861 1.00 0.00 O ATOM 570 CG2 THR A 37 8.150 29.648 -3.072 1.00 0.00 C ATOM 0 H THR A 37 6.419 26.820 -5.766 1.00 0.00 H new ATOM 0 HA THR A 37 8.807 28.530 -5.413 1.00 0.00 H new ATOM 0 HB THR A 37 6.428 28.446 -3.557 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.156 30.661 -4.275 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.594 30.346 -2.446 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.594 28.874 -2.446 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.938 30.183 -3.601 1.00 0.00 H new ATOM 578 N VAL A 38 9.702 26.862 -3.735 1.00 0.00 N ATOM 579 CA VAL A 38 10.317 25.736 -3.032 1.00 0.00 C ATOM 580 C VAL A 38 9.804 25.622 -1.599 1.00 0.00 C ATOM 581 O VAL A 38 9.853 24.543 -1.014 1.00 0.00 O ATOM 582 CB VAL A 38 11.842 25.860 -3.073 1.00 0.00 C ATOM 583 CG1 VAL A 38 12.321 25.865 -4.526 1.00 0.00 C ATOM 584 CG2 VAL A 38 12.328 27.138 -2.385 1.00 0.00 C ATOM 0 H VAL A 38 10.311 27.674 -3.839 1.00 0.00 H new ATOM 0 HA VAL A 38 10.033 24.816 -3.543 1.00 0.00 H new ATOM 0 HB VAL A 38 12.255 25.005 -2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.407 25.953 -4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.021 24.936 -5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 38 11.876 26.709 -5.053 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.416 27.188 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.901 28.006 -2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.014 27.131 -1.341 1.00 0.00 H new ATOM 594 N ALA A 39 9.306 26.723 -1.028 1.00 0.00 N ATOM 595 CA ALA A 39 8.732 26.702 0.309 1.00 0.00 C ATOM 596 C ALA A 39 7.330 26.096 0.271 1.00 0.00 C ATOM 597 O ALA A 39 6.860 25.550 1.270 1.00 0.00 O ATOM 598 CB ALA A 39 8.696 28.131 0.852 1.00 0.00 C ATOM 0 H ALA A 39 9.292 27.639 -1.477 1.00 0.00 H new ATOM 0 HA ALA A 39 9.343 26.084 0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.268 28.129 1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.709 28.531 0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.086 28.754 0.198 1.00 0.00 H new ATOM 604 N GLY A 40 6.662 26.185 -0.885 1.00 0.00 N ATOM 605 CA GLY A 40 5.352 25.581 -1.082 1.00 0.00 C ATOM 606 C GLY A 40 5.488 24.092 -1.389 1.00 0.00 C ATOM 607 O GLY A 40 4.536 23.336 -1.205 1.00 0.00 O ATOM 0 H GLY A 40 7.018 26.678 -1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.744 25.720 -0.188 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.834 26.081 -1.901 1.00 0.00 H new ATOM 611 N ALA A 41 6.664 23.666 -1.860 1.00 0.00 N ATOM 612 CA ALA A 41 6.925 22.267 -2.149 1.00 0.00 C ATOM 613 C ALA A 41 7.187 21.503 -0.854 1.00 0.00 C ATOM 614 O ALA A 41 6.818 20.335 -0.740 1.00 0.00 O ATOM 615 CB ALA A 41 8.130 22.170 -3.086 1.00 0.00 C ATOM 0 H ALA A 41 7.453 24.284 -2.048 1.00 0.00 H new ATOM 0 HA ALA A 41 6.056 21.822 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.334 21.123 -3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.915 22.703 -4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.001 22.615 -2.606 1.00 0.00 H new ATOM 621 N LEU A 42 7.820 22.155 0.125 1.00 0.00 N ATOM 622 CA LEU A 42 8.090 21.531 1.410 1.00 0.00 C ATOM 623 C LEU A 42 6.782 21.391 2.183 1.00 0.00 C ATOM 624 O LEU A 42 6.531 20.356 2.795 1.00 0.00 O ATOM 625 CB LEU A 42 9.135 22.387 2.137 1.00 0.00 C ATOM 626 CG LEU A 42 9.714 21.794 3.432 1.00 0.00 C ATOM 627 CD1 LEU A 42 8.758 21.933 4.615 1.00 0.00 C ATOM 628 CD2 LEU A 42 10.104 20.329 3.253 1.00 0.00 C ATOM 0 H LEU A 42 8.153 23.116 0.046 1.00 0.00 H new ATOM 0 HA LEU A 42 8.496 20.525 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.959 22.580 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.685 23.351 2.373 1.00 0.00 H new ATOM 0 HG LEU A 42 10.610 22.373 3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.214 21.499 5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.550 22.988 4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.827 21.411 4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.509 19.943 4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.224 19.750 2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.857 20.246 2.470 1.00 0.00 H new ATOM 640 N ALA A 43 5.941 22.426 2.152 1.00 0.00 N ATOM 641 CA ALA A 43 4.668 22.418 2.855 1.00 0.00 C ATOM 642 C ALA A 43 3.687 21.425 2.231 1.00 0.00 C ATOM 643 O ALA A 43 2.780 20.946 2.911 1.00 0.00 O ATOM 644 CB ALA A 43 4.092 23.834 2.840 1.00 0.00 C ATOM 0 H ALA A 43 6.127 23.288 1.639 1.00 0.00 H new ATOM 0 HA ALA A 43 4.831 22.096 3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.136 23.844 3.364 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.785 24.514 3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.944 24.156 1.809 1.00 0.00 H new ATOM 650 N ARG A 44 3.859 21.107 0.939 1.00 0.00 N ATOM 651 CA ARG A 44 2.992 20.163 0.249 1.00 0.00 C ATOM 652 C ARG A 44 3.403 18.719 0.535 1.00 0.00 C ATOM 653 O ARG A 44 2.563 17.823 0.472 1.00 0.00 O ATOM 654 CB ARG A 44 3.017 20.484 -1.249 1.00 0.00 C ATOM 655 CG ARG A 44 2.214 19.484 -2.084 1.00 0.00 C ATOM 656 CD ARG A 44 0.748 19.428 -1.660 1.00 0.00 C ATOM 657 NE ARG A 44 0.017 18.418 -2.437 1.00 0.00 N ATOM 658 CZ ARG A 44 -0.130 17.142 -2.065 1.00 0.00 C ATOM 659 NH1 ARG A 44 0.395 16.695 -0.926 1.00 0.00 N ATOM 660 NH2 ARG A 44 -0.809 16.299 -2.837 1.00 0.00 N ATOM 0 H ARG A 44 4.598 21.497 0.355 1.00 0.00 H new ATOM 0 HA ARG A 44 1.971 20.264 0.616 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.618 21.486 -1.408 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.050 20.494 -1.597 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.276 19.759 -3.137 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.657 18.493 -1.987 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.681 19.194 -0.597 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.287 20.405 -1.801 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.406 18.709 -3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.919 17.329 -0.322 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.274 15.719 -0.657 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.218 16.626 -3.713 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.921 15.326 -2.554 1.00 0.00 H new ATOM 674 N VAL A 45 4.676 18.475 0.850 1.00 0.00 N ATOM 675 CA VAL A 45 5.139 17.132 1.175 1.00 0.00 C ATOM 676 C VAL A 45 4.789 16.787 2.623 1.00 0.00 C ATOM 677 O VAL A 45 4.650 15.613 2.959 1.00 0.00 O ATOM 678 CB VAL A 45 6.647 17.026 0.905 1.00 0.00 C ATOM 679 CG1 VAL A 45 7.216 15.704 1.417 1.00 0.00 C ATOM 680 CG2 VAL A 45 6.908 17.086 -0.601 1.00 0.00 C ATOM 0 H VAL A 45 5.401 19.191 0.886 1.00 0.00 H new ATOM 0 HA VAL A 45 4.634 16.405 0.539 1.00 0.00 H new ATOM 0 HB VAL A 45 7.128 17.855 1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.285 15.663 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.052 15.629 2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.717 14.875 0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.979 17.010 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.395 16.259 -1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.536 18.031 -0.997 1.00 0.00 H new ATOM 690 N GLU A 46 4.638 17.795 3.487 1.00 0.00 N ATOM 691 CA GLU A 46 4.229 17.560 4.865 1.00 0.00 C ATOM 692 C GLU A 46 2.736 17.232 4.943 1.00 0.00 C ATOM 693 O GLU A 46 2.262 16.740 5.965 1.00 0.00 O ATOM 694 CB GLU A 46 4.564 18.777 5.735 1.00 0.00 C ATOM 695 CG GLU A 46 6.075 18.948 5.910 1.00 0.00 C ATOM 696 CD GLU A 46 6.727 17.755 6.613 1.00 0.00 C ATOM 697 OE1 GLU A 46 7.956 17.601 6.451 1.00 0.00 O ATOM 698 OE2 GLU A 46 6.005 17.002 7.304 1.00 0.00 O ATOM 0 H GLU A 46 4.793 18.776 3.253 1.00 0.00 H new ATOM 0 HA GLU A 46 4.781 16.701 5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.146 19.675 5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.095 18.666 6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.537 19.085 4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.270 19.854 6.484 1.00 0.00 H new ATOM 705 N ASP A 47 1.993 17.499 3.865 1.00 0.00 N ATOM 706 CA ASP A 47 0.578 17.160 3.783 1.00 0.00 C ATOM 707 C ASP A 47 0.401 15.675 3.457 1.00 0.00 C ATOM 708 O ASP A 47 -0.699 15.138 3.568 1.00 0.00 O ATOM 709 CB ASP A 47 -0.085 18.053 2.734 1.00 0.00 C ATOM 710 CG ASP A 47 -1.602 17.867 2.707 1.00 0.00 C ATOM 711 OD1 ASP A 47 -2.232 18.135 3.754 1.00 0.00 O ATOM 712 OD2 ASP A 47 -2.117 17.455 1.644 1.00 0.00 O ATOM 0 H ASP A 47 2.359 17.955 3.029 1.00 0.00 H new ATOM 0 HA ASP A 47 0.097 17.335 4.745 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.150 19.096 2.944 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.327 17.826 1.751 1.00 0.00 H new ATOM 717 N GLY A 48 1.489 15.009 3.056 1.00 0.00 N ATOM 718 CA GLY A 48 1.487 13.592 2.724 1.00 0.00 C ATOM 719 C GLY A 48 0.934 13.337 1.325 1.00 0.00 C ATOM 720 O GLY A 48 0.622 14.268 0.583 1.00 0.00 O ATOM 0 H GLY A 48 2.403 15.450 2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.503 13.202 2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.889 13.048 3.456 1.00 0.00 H new ATOM 724 N GLY A 49 0.818 12.057 0.962 1.00 0.00 N ATOM 725 CA GLY A 49 0.317 11.647 -0.340 1.00 0.00 C ATOM 726 C GLY A 49 1.377 11.778 -1.433 1.00 0.00 C ATOM 727 O GLY A 49 1.053 11.696 -2.616 1.00 0.00 O ATOM 0 H GLY A 49 1.071 11.278 1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.023 10.613 -0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.550 12.254 -0.602 1.00 0.00 H new ATOM 731 N ILE A 50 2.644 11.979 -1.055 1.00 0.00 N ATOM 732 CA ILE A 50 3.741 12.141 -2.003 1.00 0.00 C ATOM 733 C ILE A 50 4.884 11.197 -1.634 1.00 0.00 C ATOM 734 O ILE A 50 5.120 10.933 -0.454 1.00 0.00 O ATOM 735 CB ILE A 50 4.192 13.608 -2.040 1.00 0.00 C ATOM 736 CG1 ILE A 50 2.972 14.485 -2.352 1.00 0.00 C ATOM 737 CG2 ILE A 50 5.293 13.792 -3.090 1.00 0.00 C ATOM 738 CD1 ILE A 50 3.337 15.941 -2.614 1.00 0.00 C ATOM 0 H ILE A 50 2.934 12.033 -0.079 1.00 0.00 H new ATOM 0 HA ILE A 50 3.405 11.879 -3.006 1.00 0.00 H new ATOM 0 HB ILE A 50 4.605 13.903 -1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.456 14.083 -3.224 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.273 14.436 -1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.607 14.836 -3.109 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.146 13.161 -2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.911 13.510 -4.071 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.432 16.510 -2.829 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.827 16.357 -1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.013 15.999 -3.467 1.00 0.00 H new ATOM 750 N ASP A 51 5.591 10.686 -2.649 1.00 0.00 N ATOM 751 CA ASP A 51 6.630 9.683 -2.467 1.00 0.00 C ATOM 752 C ASP A 51 7.972 10.133 -3.055 1.00 0.00 C ATOM 753 O ASP A 51 9.002 9.544 -2.734 1.00 0.00 O ATOM 754 CB ASP A 51 6.148 8.368 -3.092 1.00 0.00 C ATOM 755 CG ASP A 51 5.119 7.670 -2.202 1.00 0.00 C ATOM 756 OD1 ASP A 51 5.456 6.580 -1.688 1.00 0.00 O ATOM 757 OD2 ASP A 51 4.008 8.225 -2.038 1.00 0.00 O ATOM 0 H ASP A 51 5.453 10.962 -3.621 1.00 0.00 H new ATOM 0 HA ASP A 51 6.807 9.537 -1.401 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.709 8.568 -4.070 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.999 7.707 -3.253 1.00 0.00 H new ATOM 762 N ALA A 52 7.971 11.169 -3.901 1.00 0.00 N ATOM 763 CA ALA A 52 9.182 11.790 -4.422 1.00 0.00 C ATOM 764 C ALA A 52 8.839 13.140 -5.056 1.00 0.00 C ATOM 765 O ALA A 52 7.664 13.482 -5.196 1.00 0.00 O ATOM 766 CB ALA A 52 9.815 10.870 -5.462 1.00 0.00 C ATOM 0 H ALA A 52 7.114 11.602 -4.245 1.00 0.00 H new ATOM 0 HA ALA A 52 9.888 11.952 -3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.721 11.332 -5.853 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.065 9.915 -4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.111 10.704 -6.278 1.00 0.00 H new ATOM 772 N ALA A 53 9.856 13.915 -5.445 1.00 0.00 N ATOM 773 CA ALA A 53 9.628 15.206 -6.081 1.00 0.00 C ATOM 774 C ALA A 53 10.762 15.568 -7.039 1.00 0.00 C ATOM 775 O ALA A 53 11.824 14.950 -7.015 1.00 0.00 O ATOM 776 CB ALA A 53 9.483 16.275 -4.997 1.00 0.00 C ATOM 0 H ALA A 53 10.839 13.668 -5.329 1.00 0.00 H new ATOM 0 HA ALA A 53 8.713 15.149 -6.671 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.312 17.245 -5.463 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.639 16.028 -4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.395 16.315 -4.401 1.00 0.00 H new ATOM 782 N ILE A 54 10.526 16.577 -7.884 1.00 0.00 N ATOM 783 CA ILE A 54 11.520 17.111 -8.803 1.00 0.00 C ATOM 784 C ILE A 54 11.647 18.607 -8.530 1.00 0.00 C ATOM 785 O ILE A 54 10.639 19.305 -8.450 1.00 0.00 O ATOM 786 CB ILE A 54 11.110 16.831 -10.254 1.00 0.00 C ATOM 787 CG1 ILE A 54 10.971 15.319 -10.471 1.00 0.00 C ATOM 788 CG2 ILE A 54 12.149 17.422 -11.209 1.00 0.00 C ATOM 789 CD1 ILE A 54 10.493 14.989 -11.886 1.00 0.00 C ATOM 0 H ILE A 54 9.624 17.048 -7.945 1.00 0.00 H new ATOM 0 HA ILE A 54 12.487 16.631 -8.652 1.00 0.00 H new ATOM 0 HB ILE A 54 10.147 17.300 -10.457 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.931 14.836 -10.290 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.267 14.911 -9.745 1.00 0.00 H new ATOM 0 HG21 ILE A 54 11.853 17.220 -12.239 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.214 18.499 -11.054 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.121 16.968 -11.015 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.408 13.908 -11.998 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.520 15.450 -12.058 1.00 0.00 H new ATOM 0 HD13 ILE A 54 11.210 15.374 -12.611 1.00 0.00 H new ATOM 801 N LEU A 55 12.882 19.098 -8.386 1.00 0.00 N ATOM 802 CA LEU A 55 13.138 20.469 -7.965 1.00 0.00 C ATOM 803 C LEU A 55 13.833 21.276 -9.057 1.00 0.00 C ATOM 804 O LEU A 55 14.797 20.820 -9.667 1.00 0.00 O ATOM 805 CB LEU A 55 14.012 20.467 -6.701 1.00 0.00 C ATOM 806 CG LEU A 55 13.276 20.238 -5.375 1.00 0.00 C ATOM 807 CD1 LEU A 55 12.344 21.406 -5.056 1.00 0.00 C ATOM 808 CD2 LEU A 55 12.456 18.949 -5.365 1.00 0.00 C ATOM 0 H LEU A 55 13.727 18.553 -8.559 1.00 0.00 H new ATOM 0 HA LEU A 55 12.176 20.938 -7.758 1.00 0.00 H new ATOM 0 HB2 LEU A 55 14.772 19.693 -6.810 1.00 0.00 H new ATOM 0 HB3 LEU A 55 14.535 21.422 -6.643 1.00 0.00 H new ATOM 0 HG LEU A 55 14.055 20.156 -4.617 1.00 0.00 H new ATOM 0 HD11 LEU A 55 11.835 21.218 -4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.925 22.325 -4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.606 21.510 -5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.958 18.842 -4.401 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.708 18.987 -6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.116 18.097 -5.530 1.00 0.00 H new ATOM 820 N ASP A 56 13.336 22.490 -9.292 1.00 0.00 N ATOM 821 CA ASP A 56 14.004 23.472 -10.130 1.00 0.00 C ATOM 822 C ASP A 56 14.992 24.251 -9.264 1.00 0.00 C ATOM 823 O ASP A 56 14.664 24.627 -8.141 1.00 0.00 O ATOM 824 CB ASP A 56 12.949 24.382 -10.760 1.00 0.00 C ATOM 825 CG ASP A 56 13.539 25.503 -11.613 1.00 0.00 C ATOM 826 OD1 ASP A 56 12.782 26.453 -11.900 1.00 0.00 O ATOM 827 OD2 ASP A 56 14.734 25.408 -11.973 1.00 0.00 O ATOM 0 H ASP A 56 12.452 22.817 -8.901 1.00 0.00 H new ATOM 0 HA ASP A 56 14.560 22.997 -10.939 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.283 23.779 -11.377 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.340 24.820 -9.969 1.00 0.00 H new ATOM 832 N VAL A 57 16.199 24.495 -9.784 1.00 0.00 N ATOM 833 CA VAL A 57 17.240 25.188 -9.033 1.00 0.00 C ATOM 834 C VAL A 57 17.282 26.669 -9.413 1.00 0.00 C ATOM 835 O VAL A 57 17.935 27.464 -8.738 1.00 0.00 O ATOM 836 CB VAL A 57 18.583 24.479 -9.245 1.00 0.00 C ATOM 837 CG1 VAL A 57 19.674 25.057 -8.342 1.00 0.00 C ATOM 838 CG2 VAL A 57 18.445 22.991 -8.910 1.00 0.00 C ATOM 0 H VAL A 57 16.476 24.220 -10.726 1.00 0.00 H new ATOM 0 HA VAL A 57 17.016 25.152 -7.967 1.00 0.00 H new ATOM 0 HB VAL A 57 18.861 24.624 -10.289 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.611 24.530 -8.520 1.00 0.00 H new ATOM 0 HG12 VAL A 57 19.806 26.116 -8.563 1.00 0.00 H new ATOM 0 HG13 VAL A 57 19.383 24.938 -7.298 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.403 22.493 -9.063 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.140 22.879 -7.870 1.00 0.00 H new ATOM 0 HG23 VAL A 57 17.694 22.540 -9.559 1.00 0.00 H new ATOM 848 N ASN A 58 16.589 27.050 -10.487 1.00 0.00 N ATOM 849 CA ASN A 58 16.525 28.434 -10.921 1.00 0.00 C ATOM 850 C ASN A 58 15.431 29.163 -10.143 1.00 0.00 C ATOM 851 O ASN A 58 14.342 28.621 -9.953 1.00 0.00 O ATOM 852 CB ASN A 58 16.287 28.480 -12.434 1.00 0.00 C ATOM 853 CG ASN A 58 16.385 29.890 -13.002 1.00 0.00 C ATOM 854 OD1 ASN A 58 16.814 30.824 -12.330 1.00 0.00 O ATOM 855 ND2 ASN A 58 15.979 30.060 -14.258 1.00 0.00 N ATOM 0 H ASN A 58 16.060 26.405 -11.074 1.00 0.00 H new ATOM 0 HA ASN A 58 17.468 28.942 -10.717 1.00 0.00 H new ATOM 0 HB2 ASN A 58 17.016 27.841 -12.932 1.00 0.00 H new ATOM 0 HB3 ASN A 58 15.301 28.071 -12.655 1.00 0.00 H new ATOM 0 HD21 ASN A 58 16.020 30.985 -14.686 1.00 0.00 H new ATOM 0 HD22 ASN A 58 15.627 29.265 -14.792 1.00 0.00 H new ATOM 862 N LEU A 59 15.717 30.386 -9.692 1.00 0.00 N ATOM 863 CA LEU A 59 14.761 31.196 -8.954 1.00 0.00 C ATOM 864 C LEU A 59 15.145 32.673 -9.062 1.00 0.00 C ATOM 865 O LEU A 59 16.319 33.017 -8.933 1.00 0.00 O ATOM 866 CB LEU A 59 14.749 30.734 -7.492 1.00 0.00 C ATOM 867 CG LEU A 59 13.738 31.499 -6.634 1.00 0.00 C ATOM 868 CD1 LEU A 59 12.315 31.360 -7.170 1.00 0.00 C ATOM 869 CD2 LEU A 59 13.772 30.934 -5.217 1.00 0.00 C ATOM 0 H LEU A 59 16.621 30.838 -9.831 1.00 0.00 H new ATOM 0 HA LEU A 59 13.761 31.077 -9.371 1.00 0.00 H new ATOM 0 HB2 LEU A 59 14.518 29.669 -7.454 1.00 0.00 H new ATOM 0 HB3 LEU A 59 15.746 30.859 -7.069 1.00 0.00 H new ATOM 0 HG LEU A 59 14.012 32.554 -6.653 1.00 0.00 H new ATOM 0 HD11 LEU A 59 11.630 31.918 -6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 59 12.268 31.755 -8.185 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.030 30.308 -7.176 1.00 0.00 H new ATOM 0 HD21 LEU A 59 13.056 31.470 -4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.511 29.876 -5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 59 14.773 31.052 -4.802 1.00 0.00 H new ATOM 881 N ARG A 60 14.161 33.548 -9.301 1.00 0.00 N ATOM 882 CA ARG A 60 14.390 34.985 -9.390 1.00 0.00 C ATOM 883 C ARG A 60 14.439 35.609 -7.999 1.00 0.00 C ATOM 884 O ARG A 60 13.833 35.093 -7.064 1.00 0.00 O ATOM 885 CB ARG A 60 13.328 35.659 -10.266 1.00 0.00 C ATOM 886 CG ARG A 60 13.605 35.486 -11.762 1.00 0.00 C ATOM 887 CD ARG A 60 13.405 34.046 -12.235 1.00 0.00 C ATOM 888 NE ARG A 60 13.666 33.919 -13.672 1.00 0.00 N ATOM 889 CZ ARG A 60 13.416 32.812 -14.377 1.00 0.00 C ATOM 890 NH1 ARG A 60 12.887 31.736 -13.806 1.00 0.00 N ATOM 891 NH2 ARG A 60 13.697 32.768 -15.674 1.00 0.00 N ATOM 0 H ARG A 60 13.188 33.275 -9.437 1.00 0.00 H new ATOM 0 HA ARG A 60 15.358 35.147 -9.865 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.349 35.241 -10.030 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.287 36.722 -10.028 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.947 36.145 -12.328 1.00 0.00 H new ATOM 0 HG3 ARG A 60 14.628 35.796 -11.976 1.00 0.00 H new ATOM 0 HD2 ARG A 60 14.070 33.383 -11.682 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.385 33.728 -12.018 1.00 0.00 H new ATOM 0 HE ARG A 60 14.061 34.722 -14.162 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.664 31.745 -12.811 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.704 30.901 -14.363 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.105 33.581 -16.135 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.505 31.921 -16.209 1.00 0.00 H new ATOM 905 N GLY A 61 15.165 36.722 -7.870 1.00 0.00 N ATOM 906 CA GLY A 61 15.333 37.423 -6.603 1.00 0.00 C ATOM 907 C GLY A 61 16.744 37.244 -6.052 1.00 0.00 C ATOM 908 O GLY A 61 17.662 36.885 -6.786 1.00 0.00 O ATOM 0 H GLY A 61 15.654 37.162 -8.649 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.127 38.484 -6.742 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.608 37.050 -5.880 1.00 0.00 H new ATOM 912 N GLY A 62 16.913 37.494 -4.750 1.00 0.00 N ATOM 913 CA GLY A 62 18.208 37.389 -4.088 1.00 0.00 C ATOM 914 C GLY A 62 18.639 35.938 -3.860 1.00 0.00 C ATOM 915 O GLY A 62 19.762 35.697 -3.417 1.00 0.00 O ATOM 0 H GLY A 62 16.154 37.774 -4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 62 18.961 37.897 -4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 62 18.164 37.906 -3.129 1.00 0.00 H new ATOM 919 N GLU A 63 17.765 34.972 -4.154 1.00 0.00 N ATOM 920 CA GLU A 63 18.077 33.561 -3.981 1.00 0.00 C ATOM 921 C GLU A 63 18.837 33.020 -5.195 1.00 0.00 C ATOM 922 O GLU A 63 18.699 33.541 -6.301 1.00 0.00 O ATOM 923 CB GLU A 63 16.793 32.761 -3.749 1.00 0.00 C ATOM 924 CG GLU A 63 16.055 33.218 -2.491 1.00 0.00 C ATOM 925 CD GLU A 63 16.921 33.083 -1.242 1.00 0.00 C ATOM 926 OE1 GLU A 63 17.134 34.115 -0.570 1.00 0.00 O ATOM 927 OE2 GLU A 63 17.367 31.945 -0.970 1.00 0.00 O ATOM 0 H GLU A 63 16.828 35.150 -4.516 1.00 0.00 H new ATOM 0 HA GLU A 63 18.718 33.453 -3.106 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.138 32.868 -4.613 1.00 0.00 H new ATOM 0 HB3 GLU A 63 17.036 31.702 -3.663 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.747 34.257 -2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.147 32.628 -2.368 1.00 0.00 H new ATOM 934 N LYS A 64 19.641 31.972 -4.987 1.00 0.00 N ATOM 935 CA LYS A 64 20.441 31.372 -6.051 1.00 0.00 C ATOM 936 C LYS A 64 20.638 29.868 -5.835 1.00 0.00 C ATOM 937 O LYS A 64 21.305 29.208 -6.629 1.00 0.00 O ATOM 938 CB LYS A 64 21.783 32.115 -6.114 1.00 0.00 C ATOM 939 CG LYS A 64 22.527 31.841 -7.424 1.00 0.00 C ATOM 940 CD LYS A 64 23.782 32.713 -7.498 1.00 0.00 C ATOM 941 CE LYS A 64 24.560 32.427 -8.788 1.00 0.00 C ATOM 942 NZ LYS A 64 23.782 32.792 -9.989 1.00 0.00 N ATOM 0 H LYS A 64 19.753 31.520 -4.079 1.00 0.00 H new ATOM 0 HA LYS A 64 19.919 31.472 -7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 64 21.610 33.186 -6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 64 22.406 31.811 -5.273 1.00 0.00 H new ATOM 0 HG2 LYS A 64 22.801 30.788 -7.484 1.00 0.00 H new ATOM 0 HG3 LYS A 64 21.877 32.050 -8.273 1.00 0.00 H new ATOM 0 HD2 LYS A 64 23.503 33.766 -7.461 1.00 0.00 H new ATOM 0 HD3 LYS A 64 24.417 32.521 -6.633 1.00 0.00 H new ATOM 0 HE2 LYS A 64 25.497 32.984 -8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 64 24.818 31.369 -8.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 24.404 32.778 -10.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 23.009 32.109 -10.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 23.385 33.746 -9.869 1.00 0.00 H new ATOM 956 N SER A 65 20.059 29.318 -4.763 1.00 0.00 N ATOM 957 CA SER A 65 20.236 27.914 -4.401 1.00 0.00 C ATOM 958 C SER A 65 18.918 27.308 -3.924 1.00 0.00 C ATOM 959 O SER A 65 17.953 28.027 -3.666 1.00 0.00 O ATOM 960 CB SER A 65 21.300 27.792 -3.309 1.00 0.00 C ATOM 961 OG SER A 65 22.523 28.342 -3.751 1.00 0.00 O ATOM 0 H SER A 65 19.455 29.836 -4.124 1.00 0.00 H new ATOM 0 HA SER A 65 20.563 27.365 -5.284 1.00 0.00 H new ATOM 0 HB2 SER A 65 20.967 28.307 -2.408 1.00 0.00 H new ATOM 0 HB3 SER A 65 21.440 26.744 -3.044 1.00 0.00 H new ATOM 0 HG SER A 65 23.194 28.259 -3.042 1.00 0.00 H new ATOM 967 N THR A 66 18.887 25.978 -3.806 1.00 0.00 N ATOM 968 CA THR A 66 17.703 25.247 -3.368 1.00 0.00 C ATOM 969 C THR A 66 18.098 24.202 -2.325 1.00 0.00 C ATOM 970 O THR A 66 18.102 23.005 -2.611 1.00 0.00 O ATOM 971 CB THR A 66 17.011 24.613 -4.578 1.00 0.00 C ATOM 972 OG1 THR A 66 16.758 25.604 -5.550 1.00 0.00 O ATOM 973 CG2 THR A 66 15.675 23.983 -4.187 1.00 0.00 C ATOM 0 H THR A 66 19.686 25.379 -4.013 1.00 0.00 H new ATOM 0 HA THR A 66 16.995 25.931 -2.900 1.00 0.00 H new ATOM 0 HB THR A 66 17.672 23.840 -4.970 1.00 0.00 H new ATOM 0 HG1 THR A 66 15.956 25.365 -6.060 1.00 0.00 H new ATOM 0 HG21 THR A 66 15.209 23.542 -5.068 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.843 23.208 -3.439 1.00 0.00 H new ATOM 0 HG23 THR A 66 15.018 24.749 -3.775 1.00 0.00 H new ATOM 981 N PRO A 67 18.436 24.641 -1.103 1.00 0.00 N ATOM 982 CA PRO A 67 18.832 23.765 -0.014 1.00 0.00 C ATOM 983 C PRO A 67 17.639 22.993 0.549 1.00 0.00 C ATOM 984 O PRO A 67 17.815 22.112 1.387 1.00 0.00 O ATOM 985 CB PRO A 67 19.435 24.699 1.036 1.00 0.00 C ATOM 986 CG PRO A 67 18.642 25.990 0.830 1.00 0.00 C ATOM 987 CD PRO A 67 18.461 26.029 -0.683 1.00 0.00 C ATOM 0 HA PRO A 67 19.540 23.004 -0.342 1.00 0.00 H new ATOM 0 HB2 PRO A 67 19.314 24.306 2.045 1.00 0.00 H new ATOM 0 HB3 PRO A 67 20.503 24.850 0.879 1.00 0.00 H new ATOM 0 HG2 PRO A 67 17.686 25.966 1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 67 19.184 26.862 1.196 1.00 0.00 H new ATOM 0 HD2 PRO A 67 17.537 26.539 -0.955 1.00 0.00 H new ATOM 0 HD3 PRO A 67 19.277 26.570 -1.163 1.00 0.00 H new ATOM 995 N VAL A 68 16.421 23.314 0.099 1.00 0.00 N ATOM 996 CA VAL A 68 15.214 22.644 0.564 1.00 0.00 C ATOM 997 C VAL A 68 15.201 21.183 0.119 1.00 0.00 C ATOM 998 O VAL A 68 14.530 20.355 0.729 1.00 0.00 O ATOM 999 CB VAL A 68 13.985 23.392 0.032 1.00 0.00 C ATOM 1000 CG1 VAL A 68 12.691 22.754 0.535 1.00 0.00 C ATOM 1001 CG2 VAL A 68 14.008 24.849 0.501 1.00 0.00 C ATOM 0 H VAL A 68 16.251 24.043 -0.594 1.00 0.00 H new ATOM 0 HA VAL A 68 15.193 22.654 1.654 1.00 0.00 H new ATOM 0 HB VAL A 68 14.019 23.340 -1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 68 11.837 23.305 0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.641 21.719 0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.671 22.782 1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.130 25.369 0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.000 24.881 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 68 14.910 25.336 0.130 1.00 0.00 H new ATOM 1011 N ALA A 69 15.946 20.856 -0.942 1.00 0.00 N ATOM 1012 CA ALA A 69 16.001 19.493 -1.437 1.00 0.00 C ATOM 1013 C ALA A 69 16.663 18.577 -0.408 1.00 0.00 C ATOM 1014 O ALA A 69 16.365 17.385 -0.354 1.00 0.00 O ATOM 1015 CB ALA A 69 16.770 19.488 -2.755 1.00 0.00 C ATOM 0 H ALA A 69 16.515 21.520 -1.467 1.00 0.00 H new ATOM 0 HA ALA A 69 14.993 19.115 -1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.821 18.470 -3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.259 20.126 -3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 69 17.779 19.864 -2.589 1.00 0.00 H new ATOM 1021 N GLU A 70 17.564 19.126 0.411 1.00 0.00 N ATOM 1022 CA GLU A 70 18.270 18.344 1.416 1.00 0.00 C ATOM 1023 C GLU A 70 17.335 17.975 2.564 1.00 0.00 C ATOM 1024 O GLU A 70 17.603 17.025 3.300 1.00 0.00 O ATOM 1025 CB GLU A 70 19.470 19.137 1.934 1.00 0.00 C ATOM 1026 CG GLU A 70 20.476 19.388 0.809 1.00 0.00 C ATOM 1027 CD GLU A 70 21.602 20.307 1.279 1.00 0.00 C ATOM 1028 OE1 GLU A 70 21.923 21.263 0.538 1.00 0.00 O ATOM 1029 OE2 GLU A 70 22.144 20.051 2.378 1.00 0.00 O ATOM 0 H GLU A 70 17.819 20.113 0.393 1.00 0.00 H new ATOM 0 HA GLU A 70 18.625 17.420 0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 70 19.133 20.088 2.347 1.00 0.00 H new ATOM 0 HB3 GLU A 70 19.952 18.590 2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 70 20.893 18.440 0.470 1.00 0.00 H new ATOM 0 HG3 GLU A 70 19.968 19.836 -0.045 1.00 0.00 H new ATOM 1036 N ALA A 71 16.235 18.719 2.725 1.00 0.00 N ATOM 1037 CA ALA A 71 15.237 18.399 3.729 1.00 0.00 C ATOM 1038 C ALA A 71 14.341 17.272 3.219 1.00 0.00 C ATOM 1039 O ALA A 71 13.827 16.483 4.008 1.00 0.00 O ATOM 1040 CB ALA A 71 14.425 19.654 4.052 1.00 0.00 C ATOM 0 H ALA A 71 16.021 19.546 2.168 1.00 0.00 H new ATOM 0 HA ALA A 71 15.720 18.058 4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 71 13.674 19.418 4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 71 15.090 20.429 4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.932 20.011 3.148 1.00 0.00 H new ATOM 1046 N LEU A 72 14.154 17.191 1.897 1.00 0.00 N ATOM 1047 CA LEU A 72 13.381 16.113 1.300 1.00 0.00 C ATOM 1048 C LEU A 72 14.201 14.823 1.303 1.00 0.00 C ATOM 1049 O LEU A 72 13.637 13.738 1.438 1.00 0.00 O ATOM 1050 CB LEU A 72 12.973 16.506 -0.123 1.00 0.00 C ATOM 1051 CG LEU A 72 12.123 17.781 -0.155 1.00 0.00 C ATOM 1052 CD1 LEU A 72 11.777 18.107 -1.606 1.00 0.00 C ATOM 1053 CD2 LEU A 72 10.826 17.612 0.634 1.00 0.00 C ATOM 0 H LEU A 72 14.530 17.862 1.227 1.00 0.00 H new ATOM 0 HA LEU A 72 12.477 15.940 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.868 16.654 -0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.414 15.688 -0.577 1.00 0.00 H new ATOM 0 HG LEU A 72 12.699 18.586 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.172 19.013 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.695 18.262 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.217 17.279 -2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.250 18.536 0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.242 16.798 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.060 17.381 1.673 1.00 0.00 H new ATOM 1065 N ALA A 73 15.527 14.931 1.160 1.00 0.00 N ATOM 1066 CA ALA A 73 16.400 13.771 1.242 1.00 0.00 C ATOM 1067 C ALA A 73 16.500 13.285 2.687 1.00 0.00 C ATOM 1068 O ALA A 73 16.805 12.118 2.930 1.00 0.00 O ATOM 1069 CB ALA A 73 17.777 14.134 0.687 1.00 0.00 C ATOM 0 H ALA A 73 16.011 15.812 0.987 1.00 0.00 H new ATOM 0 HA ALA A 73 15.985 12.958 0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.434 13.266 0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 73 17.680 14.444 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 73 18.201 14.951 1.271 1.00 0.00 H new ATOM 1075 N ALA A 74 16.241 14.178 3.650 1.00 0.00 N ATOM 1076 CA ALA A 74 16.180 13.811 5.055 1.00 0.00 C ATOM 1077 C ALA A 74 14.791 13.274 5.406 1.00 0.00 C ATOM 1078 O ALA A 74 14.601 12.703 6.480 1.00 0.00 O ATOM 1079 CB ALA A 74 16.539 15.030 5.905 1.00 0.00 C ATOM 0 H ALA A 74 16.070 15.167 3.471 1.00 0.00 H new ATOM 0 HA ALA A 74 16.897 13.017 5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.496 14.763 6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 74 17.547 15.363 5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.831 15.834 5.705 1.00 0.00 H new ATOM 1085 N ARG A 75 13.822 13.454 4.501 1.00 0.00 N ATOM 1086 CA ARG A 75 12.465 12.945 4.652 1.00 0.00 C ATOM 1087 C ARG A 75 12.310 11.587 3.965 1.00 0.00 C ATOM 1088 O ARG A 75 11.194 11.145 3.697 1.00 0.00 O ATOM 1089 CB ARG A 75 11.468 13.988 4.145 1.00 0.00 C ATOM 1090 CG ARG A 75 10.134 13.863 4.880 1.00 0.00 C ATOM 1091 CD ARG A 75 9.167 14.916 4.348 1.00 0.00 C ATOM 1092 NE ARG A 75 7.993 15.062 5.214 1.00 0.00 N ATOM 1093 CZ ARG A 75 6.961 14.216 5.260 1.00 0.00 C ATOM 1094 NH1 ARG A 75 6.929 13.139 4.480 1.00 0.00 N ATOM 1095 NH2 ARG A 75 5.952 14.451 6.096 1.00 0.00 N ATOM 0 H ARG A 75 13.967 13.966 3.631 1.00 0.00 H new ATOM 0 HA ARG A 75 12.253 12.774 5.707 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.876 14.988 4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 75 11.312 13.859 3.074 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.719 12.865 4.737 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.282 13.996 5.952 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.681 15.874 4.267 1.00 0.00 H new ATOM 0 HD3 ARG A 75 8.846 14.641 3.343 1.00 0.00 H new ATOM 0 HE ARG A 75 7.962 15.874 5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.699 12.952 3.837 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.135 12.500 4.525 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.969 15.274 6.698 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.161 13.808 6.135 1.00 0.00 H new ATOM 1109 N ASP A 76 13.437 10.926 3.679 1.00 0.00 N ATOM 1110 CA ASP A 76 13.490 9.597 3.082 1.00 0.00 C ATOM 1111 C ASP A 76 12.817 9.503 1.704 1.00 0.00 C ATOM 1112 O ASP A 76 12.283 8.453 1.350 1.00 0.00 O ATOM 1113 CB ASP A 76 12.982 8.562 4.088 1.00 0.00 C ATOM 1114 CG ASP A 76 13.305 7.132 3.656 1.00 0.00 C ATOM 1115 OD1 ASP A 76 12.398 6.275 3.773 1.00 0.00 O ATOM 1116 OD2 ASP A 76 14.451 6.903 3.211 1.00 0.00 O ATOM 0 H ASP A 76 14.361 11.316 3.864 1.00 0.00 H new ATOM 0 HA ASP A 76 14.534 9.372 2.862 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.429 8.755 5.063 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.904 8.670 4.205 1.00 0.00 H new ATOM 1121 N ILE A 77 12.838 10.589 0.922 1.00 0.00 N ATOM 1122 CA ILE A 77 12.344 10.570 -0.450 1.00 0.00 C ATOM 1123 C ILE A 77 13.400 11.141 -1.401 1.00 0.00 C ATOM 1124 O ILE A 77 14.117 12.076 -1.045 1.00 0.00 O ATOM 1125 CB ILE A 77 11.000 11.297 -0.578 1.00 0.00 C ATOM 1126 CG1 ILE A 77 11.099 12.771 -0.158 1.00 0.00 C ATOM 1127 CG2 ILE A 77 9.938 10.565 0.251 1.00 0.00 C ATOM 1128 CD1 ILE A 77 9.799 13.522 -0.436 1.00 0.00 C ATOM 0 H ILE A 77 13.195 11.495 1.224 1.00 0.00 H new ATOM 0 HA ILE A 77 12.161 9.534 -0.735 1.00 0.00 H new ATOM 0 HB ILE A 77 10.709 11.287 -1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 77 11.336 12.832 0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 77 11.918 13.249 -0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.984 11.083 0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.833 9.543 -0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.242 10.548 1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 77 9.906 14.562 -0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.577 13.482 -1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.985 13.059 0.122 1.00 0.00 H new ATOM 1140 N PRO A 78 13.508 10.586 -2.616 1.00 0.00 N ATOM 1141 CA PRO A 78 14.487 10.998 -3.609 1.00 0.00 C ATOM 1142 C PRO A 78 14.051 12.266 -4.344 1.00 0.00 C ATOM 1143 O PRO A 78 12.875 12.631 -4.335 1.00 0.00 O ATOM 1144 CB PRO A 78 14.577 9.814 -4.570 1.00 0.00 C ATOM 1145 CG PRO A 78 13.145 9.278 -4.569 1.00 0.00 C ATOM 1146 CD PRO A 78 12.707 9.483 -3.120 1.00 0.00 C ATOM 0 HA PRO A 78 15.447 11.243 -3.154 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.894 10.123 -5.566 1.00 0.00 H new ATOM 0 HB3 PRO A 78 15.291 9.065 -4.226 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.508 9.824 -5.265 1.00 0.00 H new ATOM 0 HG3 PRO A 78 13.106 8.228 -4.858 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.643 9.714 -3.062 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.870 8.580 -2.531 1.00 0.00 H new ATOM 1154 N PHE A 79 15.018 12.931 -4.983 1.00 0.00 N ATOM 1155 CA PHE A 79 14.750 14.111 -5.793 1.00 0.00 C ATOM 1156 C PHE A 79 15.687 14.180 -6.996 1.00 0.00 C ATOM 1157 O PHE A 79 16.697 13.481 -7.050 1.00 0.00 O ATOM 1158 CB PHE A 79 14.840 15.375 -4.932 1.00 0.00 C ATOM 1159 CG PHE A 79 16.224 15.744 -4.434 1.00 0.00 C ATOM 1160 CD1 PHE A 79 17.216 16.158 -5.338 1.00 0.00 C ATOM 1161 CD2 PHE A 79 16.516 15.695 -3.063 1.00 0.00 C ATOM 1162 CE1 PHE A 79 18.488 16.517 -4.877 1.00 0.00 C ATOM 1163 CE2 PHE A 79 17.782 16.083 -2.601 1.00 0.00 C ATOM 1164 CZ PHE A 79 18.770 16.495 -3.507 1.00 0.00 C ATOM 0 H PHE A 79 16.002 12.664 -4.950 1.00 0.00 H new ATOM 0 HA PHE A 79 13.735 14.040 -6.184 1.00 0.00 H new ATOM 0 HB2 PHE A 79 14.448 16.212 -5.509 1.00 0.00 H new ATOM 0 HB3 PHE A 79 14.187 15.250 -4.069 1.00 0.00 H new ATOM 0 HD1 PHE A 79 16.996 16.200 -6.395 1.00 0.00 H new ATOM 0 HD2 PHE A 79 15.766 15.358 -2.363 1.00 0.00 H new ATOM 0 HE1 PHE A 79 19.253 16.811 -5.580 1.00 0.00 H new ATOM 0 HE2 PHE A 79 17.997 16.064 -1.543 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.744 16.794 -3.149 1.00 0.00 H new ATOM 1174 N VAL A 80 15.339 15.040 -7.960 1.00 0.00 N ATOM 1175 CA VAL A 80 16.130 15.298 -9.156 1.00 0.00 C ATOM 1176 C VAL A 80 16.133 16.801 -9.421 1.00 0.00 C ATOM 1177 O VAL A 80 15.142 17.475 -9.144 1.00 0.00 O ATOM 1178 CB VAL A 80 15.543 14.521 -10.343 1.00 0.00 C ATOM 1179 CG1 VAL A 80 16.149 14.957 -11.676 1.00 0.00 C ATOM 1180 CG2 VAL A 80 15.807 13.027 -10.161 1.00 0.00 C ATOM 0 H VAL A 80 14.478 15.586 -7.924 1.00 0.00 H new ATOM 0 HA VAL A 80 17.158 14.962 -9.016 1.00 0.00 H new ATOM 0 HB VAL A 80 14.474 14.730 -10.365 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.702 14.379 -12.485 1.00 0.00 H new ATOM 0 HG12 VAL A 80 15.952 16.017 -11.836 1.00 0.00 H new ATOM 0 HG13 VAL A 80 17.225 14.786 -11.660 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.389 12.478 -11.005 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.881 12.851 -10.110 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.339 12.685 -9.238 1.00 0.00 H new ATOM 1190 N PHE A 81 17.240 17.328 -9.952 1.00 0.00 N ATOM 1191 CA PHE A 81 17.358 18.751 -10.250 1.00 0.00 C ATOM 1192 C PHE A 81 17.164 19.021 -11.736 1.00 0.00 C ATOM 1193 O PHE A 81 17.386 18.145 -12.573 1.00 0.00 O ATOM 1194 CB PHE A 81 18.727 19.278 -9.824 1.00 0.00 C ATOM 1195 CG PHE A 81 18.997 19.311 -8.335 1.00 0.00 C ATOM 1196 CD1 PHE A 81 18.026 19.802 -7.448 1.00 0.00 C ATOM 1197 CD2 PHE A 81 20.232 18.867 -7.843 1.00 0.00 C ATOM 1198 CE1 PHE A 81 18.295 19.857 -6.073 1.00 0.00 C ATOM 1199 CE2 PHE A 81 20.501 18.921 -6.469 1.00 0.00 C ATOM 1200 CZ PHE A 81 19.535 19.421 -5.583 1.00 0.00 C ATOM 0 H PHE A 81 18.070 16.783 -10.184 1.00 0.00 H new ATOM 0 HA PHE A 81 16.577 19.266 -9.691 1.00 0.00 H new ATOM 0 HB2 PHE A 81 19.493 18.664 -10.297 1.00 0.00 H new ATOM 0 HB3 PHE A 81 18.842 20.289 -10.215 1.00 0.00 H new ATOM 0 HD1 PHE A 81 17.071 20.138 -7.825 1.00 0.00 H new ATOM 0 HD2 PHE A 81 20.977 18.483 -8.524 1.00 0.00 H new ATOM 0 HE1 PHE A 81 17.548 20.235 -5.391 1.00 0.00 H new ATOM 0 HE2 PHE A 81 21.453 18.577 -6.092 1.00 0.00 H new ATOM 0 HZ PHE A 81 19.746 19.470 -4.525 1.00 0.00 H new ATOM 1210 N ALA A 82 16.751 20.247 -12.065 1.00 0.00 N ATOM 1211 CA ALA A 82 16.693 20.706 -13.440 1.00 0.00 C ATOM 1212 C ALA A 82 17.116 22.170 -13.499 1.00 0.00 C ATOM 1213 O ALA A 82 16.478 23.028 -12.888 1.00 0.00 O ATOM 1214 CB ALA A 82 15.273 20.507 -13.976 1.00 0.00 C ATOM 0 H ALA A 82 16.450 20.942 -11.382 1.00 0.00 H new ATOM 0 HA ALA A 82 17.376 20.131 -14.066 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.223 20.850 -15.009 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.012 19.450 -13.932 1.00 0.00 H new ATOM 0 HB3 ALA A 82 14.571 21.079 -13.369 1.00 0.00 H new ATOM 1220 N THR A 83 18.191 22.454 -14.238 1.00 0.00 N ATOM 1221 CA THR A 83 18.714 23.804 -14.423 1.00 0.00 C ATOM 1222 C THR A 83 19.856 23.784 -15.441 1.00 0.00 C ATOM 1223 O THR A 83 20.437 22.732 -15.708 1.00 0.00 O ATOM 1224 CB THR A 83 19.226 24.358 -13.088 1.00 0.00 C ATOM 1225 OG1 THR A 83 19.613 25.702 -13.255 1.00 0.00 O ATOM 1226 CG2 THR A 83 20.412 23.555 -12.553 1.00 0.00 C ATOM 0 H THR A 83 18.728 21.740 -14.731 1.00 0.00 H new ATOM 0 HA THR A 83 17.913 24.444 -14.792 1.00 0.00 H new ATOM 0 HB THR A 83 18.415 24.281 -12.364 1.00 0.00 H new ATOM 0 HG1 THR A 83 19.939 26.057 -12.402 1.00 0.00 H new ATOM 0 HG21 THR A 83 20.743 23.982 -11.606 1.00 0.00 H new ATOM 0 HG22 THR A 83 20.110 22.519 -12.398 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.230 23.591 -13.273 1.00 0.00 H new ATOM 1234 N GLY A 84 20.186 24.943 -16.014 1.00 0.00 N ATOM 1235 CA GLY A 84 21.338 25.068 -16.893 1.00 0.00 C ATOM 1236 C GLY A 84 22.612 25.214 -16.063 1.00 0.00 C ATOM 1237 O GLY A 84 22.590 25.818 -14.992 1.00 0.00 O ATOM 0 H GLY A 84 19.665 25.810 -15.881 1.00 0.00 H new ATOM 0 HA2 GLY A 84 21.412 24.192 -17.537 1.00 0.00 H new ATOM 0 HA3 GLY A 84 21.217 25.933 -17.545 1.00 0.00 H new ATOM 1241 N GLY A 85 23.728 24.665 -16.547 1.00 0.00 N ATOM 1242 CA GLY A 85 24.990 24.729 -15.822 1.00 0.00 C ATOM 1243 C GLY A 85 25.977 23.668 -16.297 1.00 0.00 C ATOM 1244 O GLY A 85 25.857 23.143 -17.402 1.00 0.00 O ATOM 0 H GLY A 85 23.779 24.172 -17.438 1.00 0.00 H new ATOM 0 HA2 GLY A 85 25.431 25.717 -15.949 1.00 0.00 H new ATOM 0 HA3 GLY A 85 24.803 24.598 -14.756 1.00 0.00 H new ATOM 1248 N SER A 86 26.960 23.362 -15.441 1.00 0.00 N ATOM 1249 CA SER A 86 27.997 22.376 -15.717 1.00 0.00 C ATOM 1250 C SER A 86 28.306 21.577 -14.454 1.00 0.00 C ATOM 1251 O SER A 86 28.013 22.023 -13.344 1.00 0.00 O ATOM 1252 CB SER A 86 29.246 23.093 -16.232 1.00 0.00 C ATOM 1253 OG SER A 86 30.248 22.153 -16.549 1.00 0.00 O ATOM 0 H SER A 86 27.053 23.802 -14.526 1.00 0.00 H new ATOM 0 HA SER A 86 27.652 21.678 -16.480 1.00 0.00 H new ATOM 0 HB2 SER A 86 28.998 23.683 -17.114 1.00 0.00 H new ATOM 0 HB3 SER A 86 29.614 23.787 -15.477 1.00 0.00 H new ATOM 0 HG SER A 86 31.043 22.621 -16.879 1.00 0.00 H new ATOM 1259 N ASP A 87 28.904 20.393 -14.615 1.00 0.00 N ATOM 1260 CA ASP A 87 29.198 19.504 -13.499 1.00 0.00 C ATOM 1261 C ASP A 87 30.342 20.032 -12.623 1.00 0.00 C ATOM 1262 O ASP A 87 30.635 19.454 -11.579 1.00 0.00 O ATOM 1263 CB ASP A 87 29.495 18.097 -14.025 1.00 0.00 C ATOM 1264 CG ASP A 87 30.743 18.063 -14.906 1.00 0.00 C ATOM 1265 OD1 ASP A 87 30.610 18.406 -16.103 1.00 0.00 O ATOM 1266 OD2 ASP A 87 31.817 17.693 -14.381 1.00 0.00 O ATOM 0 H ASP A 87 29.195 20.029 -15.522 1.00 0.00 H new ATOM 0 HA ASP A 87 28.318 19.462 -12.857 1.00 0.00 H new ATOM 0 HB2 ASP A 87 29.627 17.417 -13.184 1.00 0.00 H new ATOM 0 HB3 ASP A 87 28.639 17.736 -14.596 1.00 0.00 H new ATOM 1271 N ASP A 88 30.985 21.125 -13.040 1.00 0.00 N ATOM 1272 CA ASP A 88 32.035 21.774 -12.265 1.00 0.00 C ATOM 1273 C ASP A 88 31.481 22.958 -11.471 1.00 0.00 C ATOM 1274 O ASP A 88 32.242 23.674 -10.819 1.00 0.00 O ATOM 1275 CB ASP A 88 33.165 22.224 -13.194 1.00 0.00 C ATOM 1276 CG ASP A 88 33.855 21.034 -13.856 1.00 0.00 C ATOM 1277 OD1 ASP A 88 34.480 20.246 -13.110 1.00 0.00 O ATOM 1278 OD2 ASP A 88 33.755 20.916 -15.096 1.00 0.00 O ATOM 0 H ASP A 88 30.788 21.584 -13.929 1.00 0.00 H new ATOM 0 HA ASP A 88 32.433 21.054 -11.549 1.00 0.00 H new ATOM 0 HB2 ASP A 88 32.764 22.886 -13.961 1.00 0.00 H new ATOM 0 HB3 ASP A 88 33.896 22.800 -12.626 1.00 0.00 H new ATOM 1283 N SER A 89 30.159 23.167 -11.520 1.00 0.00 N ATOM 1284 CA SER A 89 29.501 24.296 -10.870 1.00 0.00 C ATOM 1285 C SER A 89 28.317 23.844 -10.014 1.00 0.00 C ATOM 1286 O SER A 89 27.423 24.638 -9.731 1.00 0.00 O ATOM 1287 CB SER A 89 29.050 25.312 -11.921 1.00 0.00 C ATOM 1288 OG SER A 89 30.158 25.774 -12.664 1.00 0.00 O ATOM 0 H SER A 89 29.516 22.550 -12.017 1.00 0.00 H new ATOM 0 HA SER A 89 30.222 24.768 -10.202 1.00 0.00 H new ATOM 0 HB2 SER A 89 28.321 24.854 -12.589 1.00 0.00 H new ATOM 0 HB3 SER A 89 28.554 26.152 -11.435 1.00 0.00 H new ATOM 0 HG SER A 89 29.855 26.422 -13.334 1.00 0.00 H new ATOM 1294 N VAL A 90 28.307 22.574 -9.598 1.00 0.00 N ATOM 1295 CA VAL A 90 27.224 22.008 -8.804 1.00 0.00 C ATOM 1296 C VAL A 90 27.742 21.252 -7.584 1.00 0.00 C ATOM 1297 O VAL A 90 28.873 20.767 -7.570 1.00 0.00 O ATOM 1298 CB VAL A 90 26.346 21.089 -9.655 1.00 0.00 C ATOM 1299 CG1 VAL A 90 25.520 21.879 -10.663 1.00 0.00 C ATOM 1300 CG2 VAL A 90 27.175 20.032 -10.382 1.00 0.00 C ATOM 0 H VAL A 90 29.054 21.912 -9.806 1.00 0.00 H new ATOM 0 HA VAL A 90 26.623 22.845 -8.448 1.00 0.00 H new ATOM 0 HB VAL A 90 25.667 20.584 -8.968 1.00 0.00 H new ATOM 0 HG11 VAL A 90 24.909 21.193 -11.250 1.00 0.00 H new ATOM 0 HG12 VAL A 90 24.874 22.580 -10.134 1.00 0.00 H new ATOM 0 HG13 VAL A 90 26.186 22.430 -11.327 1.00 0.00 H new ATOM 0 HG21 VAL A 90 26.516 19.398 -10.976 1.00 0.00 H new ATOM 0 HG22 VAL A 90 27.895 20.522 -11.037 1.00 0.00 H new ATOM 0 HG23 VAL A 90 27.706 19.420 -9.652 1.00 0.00 H new ATOM 1310 N ASP A 91 26.890 21.163 -6.557 1.00 0.00 N ATOM 1311 CA ASP A 91 27.191 20.502 -5.297 1.00 0.00 C ATOM 1312 C ASP A 91 27.152 18.976 -5.445 1.00 0.00 C ATOM 1313 O ASP A 91 26.683 18.452 -6.455 1.00 0.00 O ATOM 1314 CB ASP A 91 26.187 20.996 -4.251 1.00 0.00 C ATOM 1315 CG ASP A 91 26.470 20.449 -2.852 1.00 0.00 C ATOM 1316 OD1 ASP A 91 27.655 20.451 -2.455 1.00 0.00 O ATOM 1317 OD2 ASP A 91 25.490 20.033 -2.197 1.00 0.00 O ATOM 0 H ASP A 91 25.951 21.560 -6.587 1.00 0.00 H new ATOM 0 HA ASP A 91 28.203 20.751 -4.978 1.00 0.00 H new ATOM 0 HB2 ASP A 91 26.207 22.085 -4.221 1.00 0.00 H new ATOM 0 HB3 ASP A 91 25.181 20.704 -4.553 1.00 0.00 H new ATOM 1322 N SER A 92 27.646 18.253 -4.438 1.00 0.00 N ATOM 1323 CA SER A 92 27.753 16.800 -4.488 1.00 0.00 C ATOM 1324 C SER A 92 26.393 16.115 -4.624 1.00 0.00 C ATOM 1325 O SER A 92 26.335 14.945 -4.999 1.00 0.00 O ATOM 1326 CB SER A 92 28.464 16.305 -3.230 1.00 0.00 C ATOM 1327 OG SER A 92 27.716 16.662 -2.085 1.00 0.00 O ATOM 0 H SER A 92 27.982 18.662 -3.566 1.00 0.00 H new ATOM 0 HA SER A 92 28.328 16.540 -5.377 1.00 0.00 H new ATOM 0 HB2 SER A 92 28.587 15.223 -3.273 1.00 0.00 H new ATOM 0 HB3 SER A 92 29.463 16.737 -3.172 1.00 0.00 H new ATOM 0 HG SER A 92 28.175 16.341 -1.281 1.00 0.00 H new ATOM 1333 N ARG A 93 25.296 16.822 -4.328 1.00 0.00 N ATOM 1334 CA ARG A 93 23.955 16.262 -4.459 1.00 0.00 C ATOM 1335 C ARG A 93 23.569 16.160 -5.932 1.00 0.00 C ATOM 1336 O ARG A 93 22.749 15.323 -6.297 1.00 0.00 O ATOM 1337 CB ARG A 93 22.964 17.146 -3.698 1.00 0.00 C ATOM 1338 CG ARG A 93 22.947 16.844 -2.197 1.00 0.00 C ATOM 1339 CD ARG A 93 24.338 16.894 -1.565 1.00 0.00 C ATOM 1340 NE ARG A 93 24.236 16.842 -0.103 1.00 0.00 N ATOM 1341 CZ ARG A 93 24.105 17.919 0.675 1.00 0.00 C ATOM 1342 NH1 ARG A 93 24.154 19.145 0.160 1.00 0.00 N ATOM 1343 NH2 ARG A 93 23.921 17.778 1.982 1.00 0.00 N ATOM 0 H ARG A 93 25.316 17.786 -3.995 1.00 0.00 H new ATOM 0 HA ARG A 93 23.934 15.258 -4.035 1.00 0.00 H new ATOM 0 HB2 ARG A 93 23.223 18.194 -3.852 1.00 0.00 H new ATOM 0 HB3 ARG A 93 21.964 17.001 -4.107 1.00 0.00 H new ATOM 0 HG2 ARG A 93 22.299 17.562 -1.694 1.00 0.00 H new ATOM 0 HG3 ARG A 93 22.515 15.856 -2.035 1.00 0.00 H new ATOM 0 HD2 ARG A 93 24.938 16.058 -1.924 1.00 0.00 H new ATOM 0 HD3 ARG A 93 24.850 17.807 -1.868 1.00 0.00 H new ATOM 0 HE ARG A 93 24.267 15.927 0.347 1.00 0.00 H new ATOM 0 HH11 ARG A 93 24.293 19.272 -0.842 1.00 0.00 H new ATOM 0 HH12 ARG A 93 24.052 19.958 0.768 1.00 0.00 H new ATOM 0 HH21 ARG A 93 23.880 16.846 2.394 1.00 0.00 H new ATOM 0 HH22 ARG A 93 23.821 18.602 2.575 1.00 0.00 H new ATOM 1357 N PHE A 94 24.162 17.009 -6.778 1.00 0.00 N ATOM 1358 CA PHE A 94 23.970 16.957 -8.217 1.00 0.00 C ATOM 1359 C PHE A 94 24.861 15.864 -8.801 1.00 0.00 C ATOM 1360 O PHE A 94 24.578 15.328 -9.871 1.00 0.00 O ATOM 1361 CB PHE A 94 24.376 18.297 -8.830 1.00 0.00 C ATOM 1362 CG PHE A 94 23.575 19.503 -8.393 1.00 0.00 C ATOM 1363 CD1 PHE A 94 23.678 19.989 -7.081 1.00 0.00 C ATOM 1364 CD2 PHE A 94 22.749 20.157 -9.317 1.00 0.00 C ATOM 1365 CE1 PHE A 94 22.951 21.126 -6.698 1.00 0.00 C ATOM 1366 CE2 PHE A 94 22.031 21.299 -8.936 1.00 0.00 C ATOM 1367 CZ PHE A 94 22.130 21.782 -7.622 1.00 0.00 C ATOM 0 H PHE A 94 24.791 17.753 -6.474 1.00 0.00 H new ATOM 0 HA PHE A 94 22.923 16.748 -8.438 1.00 0.00 H new ATOM 0 HB2 PHE A 94 25.424 18.478 -8.593 1.00 0.00 H new ATOM 0 HB3 PHE A 94 24.304 18.213 -9.914 1.00 0.00 H new ATOM 0 HD1 PHE A 94 24.316 19.489 -6.367 1.00 0.00 H new ATOM 0 HD2 PHE A 94 22.665 19.780 -10.326 1.00 0.00 H new ATOM 0 HE1 PHE A 94 23.025 21.496 -5.686 1.00 0.00 H new ATOM 0 HE2 PHE A 94 21.402 21.807 -9.653 1.00 0.00 H new ATOM 0 HZ PHE A 94 21.574 22.658 -7.324 1.00 0.00 H new ATOM 1377 N ARG A 95 25.946 15.539 -8.088 1.00 0.00 N ATOM 1378 CA ARG A 95 26.895 14.518 -8.509 1.00 0.00 C ATOM 1379 C ARG A 95 26.489 13.129 -8.008 1.00 0.00 C ATOM 1380 O ARG A 95 27.086 12.136 -8.419 1.00 0.00 O ATOM 1381 CB ARG A 95 28.296 14.897 -8.020 1.00 0.00 C ATOM 1382 CG ARG A 95 28.647 16.333 -8.416 1.00 0.00 C ATOM 1383 CD ARG A 95 30.047 16.694 -7.920 1.00 0.00 C ATOM 1384 NE ARG A 95 30.284 18.137 -8.033 1.00 0.00 N ATOM 1385 CZ ARG A 95 31.467 18.704 -8.296 1.00 0.00 C ATOM 1386 NH1 ARG A 95 32.551 17.961 -8.505 1.00 0.00 N ATOM 1387 NH2 ARG A 95 31.560 20.028 -8.345 1.00 0.00 N ATOM 0 H ARG A 95 26.185 15.982 -7.201 1.00 0.00 H new ATOM 0 HA ARG A 95 26.897 14.470 -9.598 1.00 0.00 H new ATOM 0 HB2 ARG A 95 28.347 14.792 -6.936 1.00 0.00 H new ATOM 0 HB3 ARG A 95 29.030 14.210 -8.442 1.00 0.00 H new ATOM 0 HG2 ARG A 95 28.599 16.440 -9.500 1.00 0.00 H new ATOM 0 HG3 ARG A 95 27.916 17.023 -7.995 1.00 0.00 H new ATOM 0 HD2 ARG A 95 30.161 16.382 -6.882 1.00 0.00 H new ATOM 0 HD3 ARG A 95 30.794 16.152 -8.500 1.00 0.00 H new ATOM 0 HE ARG A 95 29.485 18.757 -7.901 1.00 0.00 H new ATOM 0 HH11 ARG A 95 32.487 16.944 -8.466 1.00 0.00 H new ATOM 0 HH12 ARG A 95 33.446 18.409 -8.704 1.00 0.00 H new ATOM 0 HH21 ARG A 95 30.734 20.604 -8.183 1.00 0.00 H new ATOM 0 HH22 ARG A 95 32.458 20.469 -8.545 1.00 0.00 H new ATOM 1401 N ASP A 96 25.482 13.058 -7.128 1.00 0.00 N ATOM 1402 CA ASP A 96 25.027 11.801 -6.547 1.00 0.00 C ATOM 1403 C ASP A 96 23.625 11.414 -7.024 1.00 0.00 C ATOM 1404 O ASP A 96 23.239 10.252 -6.902 1.00 0.00 O ATOM 1405 CB ASP A 96 25.082 11.920 -5.021 1.00 0.00 C ATOM 1406 CG ASP A 96 24.721 10.602 -4.335 1.00 0.00 C ATOM 1407 OD1 ASP A 96 23.670 10.574 -3.655 1.00 0.00 O ATOM 1408 OD2 ASP A 96 25.498 9.634 -4.497 1.00 0.00 O ATOM 0 H ASP A 96 24.964 13.874 -6.803 1.00 0.00 H new ATOM 0 HA ASP A 96 25.688 11.001 -6.880 1.00 0.00 H new ATOM 0 HB2 ASP A 96 26.083 12.226 -4.716 1.00 0.00 H new ATOM 0 HB3 ASP A 96 24.396 12.701 -4.692 1.00 0.00 H new ATOM 1413 N ARG A 97 22.863 12.369 -7.566 1.00 0.00 N ATOM 1414 CA ARG A 97 21.533 12.108 -8.109 1.00 0.00 C ATOM 1415 C ARG A 97 21.371 12.808 -9.458 1.00 0.00 C ATOM 1416 O ARG A 97 22.088 13.771 -9.735 1.00 0.00 O ATOM 1417 CB ARG A 97 20.455 12.534 -7.109 1.00 0.00 C ATOM 1418 CG ARG A 97 20.364 11.503 -5.981 1.00 0.00 C ATOM 1419 CD ARG A 97 19.198 11.805 -5.042 1.00 0.00 C ATOM 1420 NE ARG A 97 19.461 12.978 -4.199 1.00 0.00 N ATOM 1421 CZ ARG A 97 20.201 12.945 -3.087 1.00 0.00 C ATOM 1422 NH1 ARG A 97 20.790 11.821 -2.688 1.00 0.00 N ATOM 1423 NH2 ARG A 97 20.357 14.045 -2.361 1.00 0.00 N ATOM 0 H ARG A 97 23.154 13.344 -7.639 1.00 0.00 H new ATOM 0 HA ARG A 97 21.415 11.037 -8.276 1.00 0.00 H new ATOM 0 HB2 ARG A 97 20.692 13.516 -6.699 1.00 0.00 H new ATOM 0 HB3 ARG A 97 19.492 12.623 -7.613 1.00 0.00 H new ATOM 0 HG2 ARG A 97 20.242 10.507 -6.406 1.00 0.00 H new ATOM 0 HG3 ARG A 97 21.296 11.497 -5.416 1.00 0.00 H new ATOM 0 HD2 ARG A 97 18.295 11.975 -5.628 1.00 0.00 H new ATOM 0 HD3 ARG A 97 19.009 10.938 -4.409 1.00 0.00 H new ATOM 0 HE ARG A 97 19.055 13.871 -4.479 1.00 0.00 H new ATOM 0 HH11 ARG A 97 20.680 10.966 -3.234 1.00 0.00 H new ATOM 0 HH12 ARG A 97 21.351 11.814 -1.836 1.00 0.00 H new ATOM 0 HH21 ARG A 97 19.912 14.915 -2.652 1.00 0.00 H new ATOM 0 HH22 ARG A 97 20.922 14.020 -1.512 1.00 0.00 H new ATOM 1437 N PRO A 98 20.440 12.343 -10.304 1.00 0.00 N ATOM 1438 CA PRO A 98 20.255 12.821 -11.666 1.00 0.00 C ATOM 1439 C PRO A 98 20.035 14.330 -11.773 1.00 0.00 C ATOM 1440 O PRO A 98 19.558 14.973 -10.837 1.00 0.00 O ATOM 1441 CB PRO A 98 19.047 12.058 -12.210 1.00 0.00 C ATOM 1442 CG PRO A 98 19.030 10.777 -11.378 1.00 0.00 C ATOM 1443 CD PRO A 98 19.511 11.266 -10.016 1.00 0.00 C ATOM 0 HA PRO A 98 21.164 12.641 -12.240 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.125 12.627 -12.089 1.00 0.00 H new ATOM 0 HB3 PRO A 98 19.153 11.844 -13.274 1.00 0.00 H new ATOM 0 HG2 PRO A 98 18.033 10.341 -11.324 1.00 0.00 H new ATOM 0 HG3 PRO A 98 19.690 10.015 -11.792 1.00 0.00 H new ATOM 0 HD2 PRO A 98 18.678 11.617 -9.407 1.00 0.00 H new ATOM 0 HD3 PRO A 98 19.997 10.465 -9.459 1.00 0.00 H new ATOM 1451 N VAL A 99 20.392 14.880 -12.938 1.00 0.00 N ATOM 1452 CA VAL A 99 20.232 16.290 -13.265 1.00 0.00 C ATOM 1453 C VAL A 99 19.875 16.428 -14.746 1.00 0.00 C ATOM 1454 O VAL A 99 20.211 15.556 -15.546 1.00 0.00 O ATOM 1455 CB VAL A 99 21.517 17.077 -12.963 1.00 0.00 C ATOM 1456 CG1 VAL A 99 21.889 16.987 -11.489 1.00 0.00 C ATOM 1457 CG2 VAL A 99 22.696 16.571 -13.796 1.00 0.00 C ATOM 0 H VAL A 99 20.810 14.339 -13.695 1.00 0.00 H new ATOM 0 HA VAL A 99 19.431 16.701 -12.650 1.00 0.00 H new ATOM 0 HB VAL A 99 21.311 18.115 -13.224 1.00 0.00 H new ATOM 0 HG11 VAL A 99 22.802 17.554 -11.309 1.00 0.00 H new ATOM 0 HG12 VAL A 99 21.081 17.398 -10.884 1.00 0.00 H new ATOM 0 HG13 VAL A 99 22.050 15.944 -11.218 1.00 0.00 H new ATOM 0 HG21 VAL A 99 23.587 17.151 -13.556 1.00 0.00 H new ATOM 0 HG22 VAL A 99 22.876 15.520 -13.571 1.00 0.00 H new ATOM 0 HG23 VAL A 99 22.467 16.681 -14.856 1.00 0.00 H new ATOM 1467 N LEU A 100 19.195 17.516 -15.106 1.00 0.00 N ATOM 1468 CA LEU A 100 18.815 17.800 -16.484 1.00 0.00 C ATOM 1469 C LEU A 100 18.902 19.293 -16.771 1.00 0.00 C ATOM 1470 O LEU A 100 18.835 20.118 -15.859 1.00 0.00 O ATOM 1471 CB LEU A 100 17.374 17.333 -16.738 1.00 0.00 C ATOM 1472 CG LEU A 100 17.211 15.811 -16.794 1.00 0.00 C ATOM 1473 CD1 LEU A 100 15.728 15.490 -16.974 1.00 0.00 C ATOM 1474 CD2 LEU A 100 17.978 15.212 -17.972 1.00 0.00 C ATOM 0 H LEU A 100 18.891 18.229 -14.442 1.00 0.00 H new ATOM 0 HA LEU A 100 19.503 17.266 -17.140 1.00 0.00 H new ATOM 0 HB2 LEU A 100 16.731 17.728 -15.951 1.00 0.00 H new ATOM 0 HB3 LEU A 100 17.025 17.760 -17.678 1.00 0.00 H new ATOM 0 HG LEU A 100 17.604 15.386 -15.870 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.592 14.409 -17.016 1.00 0.00 H new ATOM 0 HD12 LEU A 100 15.164 15.894 -16.134 1.00 0.00 H new ATOM 0 HD13 LEU A 100 15.369 15.937 -17.901 1.00 0.00 H new ATOM 0 HD21 LEU A 100 17.841 14.131 -17.983 1.00 0.00 H new ATOM 0 HD22 LEU A 100 17.602 15.635 -18.904 1.00 0.00 H new ATOM 0 HD23 LEU A 100 19.038 15.443 -17.871 1.00 0.00 H new ATOM 1486 N GLN A 101 19.051 19.639 -18.052 1.00 0.00 N ATOM 1487 CA GLN A 101 18.963 21.014 -18.513 1.00 0.00 C ATOM 1488 C GLN A 101 17.496 21.331 -18.805 1.00 0.00 C ATOM 1489 O GLN A 101 16.660 20.431 -18.805 1.00 0.00 O ATOM 1490 CB GLN A 101 19.847 21.225 -19.749 1.00 0.00 C ATOM 1491 CG GLN A 101 21.331 21.010 -19.436 1.00 0.00 C ATOM 1492 CD GLN A 101 21.729 19.540 -19.341 1.00 0.00 C ATOM 1493 OE1 GLN A 101 21.000 18.648 -19.768 1.00 0.00 O ATOM 1494 NE2 GLN A 101 22.906 19.270 -18.773 1.00 0.00 N ATOM 0 H GLN A 101 19.236 18.966 -18.796 1.00 0.00 H new ATOM 0 HA GLN A 101 19.328 21.695 -17.744 1.00 0.00 H new ATOM 0 HB2 GLN A 101 19.539 20.537 -20.537 1.00 0.00 H new ATOM 0 HB3 GLN A 101 19.700 22.235 -20.132 1.00 0.00 H new ATOM 0 HG2 GLN A 101 21.930 21.491 -20.209 1.00 0.00 H new ATOM 0 HG3 GLN A 101 21.570 21.504 -18.494 1.00 0.00 H new ATOM 0 HE21 GLN A 101 23.492 20.030 -18.427 1.00 0.00 H new ATOM 0 HE22 GLN A 101 23.220 18.304 -18.685 1.00 0.00 H new ATOM 1503 N LYS A 102 17.165 22.603 -19.057 1.00 0.00 N ATOM 1504 CA LYS A 102 15.775 22.984 -19.286 1.00 0.00 C ATOM 1505 C LYS A 102 15.174 22.303 -20.518 1.00 0.00 C ATOM 1506 O LYS A 102 14.006 21.921 -20.457 1.00 0.00 O ATOM 1507 CB LYS A 102 15.649 24.508 -19.375 1.00 0.00 C ATOM 1508 CG LYS A 102 15.956 25.186 -18.035 1.00 0.00 C ATOM 1509 CD LYS A 102 14.931 24.788 -16.969 1.00 0.00 C ATOM 1510 CE LYS A 102 15.206 25.536 -15.668 1.00 0.00 C ATOM 1511 NZ LYS A 102 14.270 25.113 -14.609 1.00 0.00 N ATOM 0 H LYS A 102 17.833 23.372 -19.106 1.00 0.00 H new ATOM 0 HA LYS A 102 15.197 22.634 -18.431 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.331 24.885 -20.137 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.640 24.771 -19.692 1.00 0.00 H new ATOM 0 HG2 LYS A 102 16.957 24.908 -17.704 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.952 26.269 -18.162 1.00 0.00 H new ATOM 0 HD2 LYS A 102 13.924 25.013 -17.320 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.975 23.713 -16.795 1.00 0.00 H new ATOM 0 HE2 LYS A 102 16.231 25.351 -15.348 1.00 0.00 H new ATOM 0 HE3 LYS A 102 15.112 26.609 -15.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 14.727 25.216 -13.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.416 25.706 -14.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 14.006 24.118 -14.756 1.00 0.00 H new ATOM 1525 N PRO A 103 15.905 22.130 -21.631 1.00 0.00 N ATOM 1526 CA PRO A 103 15.416 21.362 -22.764 1.00 0.00 C ATOM 1527 C PRO A 103 15.229 19.892 -22.382 1.00 0.00 C ATOM 1528 O PRO A 103 16.166 19.257 -21.897 1.00 0.00 O ATOM 1529 CB PRO A 103 16.475 21.521 -23.860 1.00 0.00 C ATOM 1530 CG PRO A 103 17.266 22.756 -23.441 1.00 0.00 C ATOM 1531 CD PRO A 103 17.218 22.670 -21.919 1.00 0.00 C ATOM 0 HA PRO A 103 14.442 21.715 -23.102 1.00 0.00 H new ATOM 0 HB2 PRO A 103 17.115 20.641 -23.925 1.00 0.00 H new ATOM 0 HB3 PRO A 103 16.017 21.655 -24.840 1.00 0.00 H new ATOM 0 HG2 PRO A 103 18.288 22.732 -23.818 1.00 0.00 H new ATOM 0 HG3 PRO A 103 16.812 23.675 -23.811 1.00 0.00 H new ATOM 0 HD2 PRO A 103 18.007 22.025 -21.532 1.00 0.00 H new ATOM 0 HD3 PRO A 103 17.354 23.650 -21.461 1.00 0.00 H new ATOM 1539 N PHE A 104 14.026 19.353 -22.597 1.00 0.00 N ATOM 1540 CA PHE A 104 13.708 17.961 -22.295 1.00 0.00 C ATOM 1541 C PHE A 104 13.490 17.177 -23.589 1.00 0.00 C ATOM 1542 O PHE A 104 13.085 17.743 -24.607 1.00 0.00 O ATOM 1543 CB PHE A 104 12.468 17.877 -21.395 1.00 0.00 C ATOM 1544 CG PHE A 104 12.708 17.979 -19.897 1.00 0.00 C ATOM 1545 CD1 PHE A 104 11.753 17.448 -19.014 1.00 0.00 C ATOM 1546 CD2 PHE A 104 13.863 18.584 -19.380 1.00 0.00 C ATOM 1547 CE1 PHE A 104 11.975 17.491 -17.633 1.00 0.00 C ATOM 1548 CE2 PHE A 104 14.074 18.640 -17.997 1.00 0.00 C ATOM 1549 CZ PHE A 104 13.134 18.086 -17.121 1.00 0.00 C ATOM 0 H PHE A 104 13.243 19.876 -22.988 1.00 0.00 H new ATOM 0 HA PHE A 104 14.548 17.518 -21.760 1.00 0.00 H new ATOM 0 HB2 PHE A 104 11.781 18.672 -21.685 1.00 0.00 H new ATOM 0 HB3 PHE A 104 11.964 16.932 -21.596 1.00 0.00 H new ATOM 0 HD1 PHE A 104 10.847 17.006 -19.401 1.00 0.00 H new ATOM 0 HD2 PHE A 104 14.594 19.009 -20.052 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.248 17.063 -16.959 1.00 0.00 H new ATOM 0 HE2 PHE A 104 14.963 19.111 -17.606 1.00 0.00 H new ATOM 0 HZ PHE A 104 13.302 18.117 -16.055 1.00 0.00 H new ATOM 1559 N THR A 105 13.761 15.870 -23.540 1.00 0.00 N ATOM 1560 CA THR A 105 13.578 14.961 -24.668 1.00 0.00 C ATOM 1561 C THR A 105 13.040 13.629 -24.155 1.00 0.00 C ATOM 1562 O THR A 105 13.183 13.311 -22.975 1.00 0.00 O ATOM 1563 CB THR A 105 14.902 14.737 -25.406 1.00 0.00 C ATOM 1564 OG1 THR A 105 15.852 14.167 -24.531 1.00 0.00 O ATOM 1565 CG2 THR A 105 15.467 16.043 -25.958 1.00 0.00 C ATOM 0 H THR A 105 14.119 15.410 -22.703 1.00 0.00 H new ATOM 0 HA THR A 105 12.868 15.403 -25.367 1.00 0.00 H new ATOM 0 HB THR A 105 14.700 14.064 -26.239 1.00 0.00 H new ATOM 0 HG1 THR A 105 16.695 14.025 -25.011 1.00 0.00 H new ATOM 0 HG21 THR A 105 16.406 15.844 -26.474 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.754 16.481 -26.657 1.00 0.00 H new ATOM 0 HG23 THR A 105 15.645 16.738 -25.137 1.00 0.00 H new ATOM 1573 N MET A 106 12.422 12.837 -25.035 1.00 0.00 N ATOM 1574 CA MET A 106 11.826 11.572 -24.631 1.00 0.00 C ATOM 1575 C MET A 106 12.898 10.569 -24.212 1.00 0.00 C ATOM 1576 O MET A 106 12.617 9.684 -23.406 1.00 0.00 O ATOM 1577 CB MET A 106 10.986 11.001 -25.780 1.00 0.00 C ATOM 1578 CG MET A 106 9.736 11.840 -26.052 1.00 0.00 C ATOM 1579 SD MET A 106 10.039 13.482 -26.762 1.00 0.00 S ATOM 1580 CE MET A 106 8.336 14.093 -26.828 1.00 0.00 C ATOM 0 H MET A 106 12.324 13.053 -26.027 1.00 0.00 H new ATOM 0 HA MET A 106 11.182 11.755 -23.771 1.00 0.00 H new ATOM 0 HB2 MET A 106 11.594 10.953 -26.684 1.00 0.00 H new ATOM 0 HB3 MET A 106 10.691 9.979 -25.540 1.00 0.00 H new ATOM 0 HG2 MET A 106 9.087 11.285 -26.729 1.00 0.00 H new ATOM 0 HG3 MET A 106 9.191 11.963 -25.116 1.00 0.00 H new ATOM 0 HE1 MET A 106 8.327 15.101 -27.243 1.00 0.00 H new ATOM 0 HE2 MET A 106 7.738 13.436 -27.459 1.00 0.00 H new ATOM 0 HE3 MET A 106 7.917 14.111 -25.822 1.00 0.00 H new ATOM 1590 N ASP A 107 14.116 10.694 -24.744 1.00 0.00 N ATOM 1591 CA ASP A 107 15.206 9.800 -24.379 1.00 0.00 C ATOM 1592 C ASP A 107 15.916 10.265 -23.107 1.00 0.00 C ATOM 1593 O ASP A 107 16.349 9.439 -22.303 1.00 0.00 O ATOM 1594 CB ASP A 107 16.196 9.710 -25.542 1.00 0.00 C ATOM 1595 CG ASP A 107 15.536 9.132 -26.792 1.00 0.00 C ATOM 1596 OD1 ASP A 107 15.177 9.937 -27.681 1.00 0.00 O ATOM 1597 OD2 ASP A 107 15.395 7.889 -26.850 1.00 0.00 O ATOM 0 H ASP A 107 14.368 11.407 -25.429 1.00 0.00 H new ATOM 0 HA ASP A 107 14.790 8.814 -24.174 1.00 0.00 H new ATOM 0 HB2 ASP A 107 16.591 10.701 -25.763 1.00 0.00 H new ATOM 0 HB3 ASP A 107 17.042 9.086 -25.254 1.00 0.00 H new ATOM 1602 N GLY A 108 16.043 11.581 -22.917 1.00 0.00 N ATOM 1603 CA GLY A 108 16.779 12.129 -21.792 1.00 0.00 C ATOM 1604 C GLY A 108 15.963 12.103 -20.503 1.00 0.00 C ATOM 1605 O GLY A 108 16.528 11.964 -19.418 1.00 0.00 O ATOM 0 H GLY A 108 15.640 12.284 -23.536 1.00 0.00 H new ATOM 0 HA2 GLY A 108 17.698 11.561 -21.650 1.00 0.00 H new ATOM 0 HA3 GLY A 108 17.070 13.155 -22.015 1.00 0.00 H new ATOM 1609 N VAL A 109 14.636 12.231 -20.606 1.00 0.00 N ATOM 1610 CA VAL A 109 13.773 12.227 -19.435 1.00 0.00 C ATOM 1611 C VAL A 109 13.433 10.799 -19.025 1.00 0.00 C ATOM 1612 O VAL A 109 13.197 10.539 -17.847 1.00 0.00 O ATOM 1613 CB VAL A 109 12.514 13.048 -19.730 1.00 0.00 C ATOM 1614 CG1 VAL A 109 11.568 13.043 -18.533 1.00 0.00 C ATOM 1615 CG2 VAL A 109 12.896 14.498 -20.009 1.00 0.00 C ATOM 0 H VAL A 109 14.142 12.338 -21.492 1.00 0.00 H new ATOM 0 HA VAL A 109 14.294 12.686 -18.595 1.00 0.00 H new ATOM 0 HB VAL A 109 12.022 12.601 -20.594 1.00 0.00 H new ATOM 0 HG11 VAL A 109 10.682 13.633 -18.767 1.00 0.00 H new ATOM 0 HG12 VAL A 109 11.273 12.018 -18.307 1.00 0.00 H new ATOM 0 HG13 VAL A 109 12.073 13.474 -17.669 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.997 15.077 -20.218 1.00 0.00 H new ATOM 0 HG22 VAL A 109 13.402 14.915 -19.138 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.563 14.539 -20.870 1.00 0.00 H new ATOM 1625 N ALA A 110 13.407 9.860 -19.979 1.00 0.00 N ATOM 1626 CA ALA A 110 13.089 8.477 -19.662 1.00 0.00 C ATOM 1627 C ALA A 110 14.225 7.830 -18.868 1.00 0.00 C ATOM 1628 O ALA A 110 13.978 6.934 -18.064 1.00 0.00 O ATOM 1629 CB ALA A 110 12.825 7.714 -20.960 1.00 0.00 C ATOM 0 H ALA A 110 13.601 10.037 -20.964 1.00 0.00 H new ATOM 0 HA ALA A 110 12.194 8.444 -19.040 1.00 0.00 H new ATOM 0 HB1 ALA A 110 12.586 6.676 -20.730 1.00 0.00 H new ATOM 0 HB2 ALA A 110 11.987 8.171 -21.487 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.713 7.750 -21.591 1.00 0.00 H new ATOM 1635 N LYS A 111 15.467 8.278 -19.084 1.00 0.00 N ATOM 1636 CA LYS A 111 16.618 7.755 -18.355 1.00 0.00 C ATOM 1637 C LYS A 111 16.784 8.465 -17.015 1.00 0.00 C ATOM 1638 O LYS A 111 17.311 7.882 -16.069 1.00 0.00 O ATOM 1639 CB LYS A 111 17.872 7.901 -19.219 1.00 0.00 C ATOM 1640 CG LYS A 111 17.770 7.016 -20.465 1.00 0.00 C ATOM 1641 CD LYS A 111 19.003 7.210 -21.344 1.00 0.00 C ATOM 1642 CE LYS A 111 18.873 6.343 -22.597 1.00 0.00 C ATOM 1643 NZ LYS A 111 20.043 6.499 -23.482 1.00 0.00 N ATOM 0 H LYS A 111 15.697 9.005 -19.762 1.00 0.00 H new ATOM 0 HA LYS A 111 16.457 6.698 -18.141 1.00 0.00 H new ATOM 0 HB2 LYS A 111 17.998 8.943 -19.515 1.00 0.00 H new ATOM 0 HB3 LYS A 111 18.754 7.625 -18.641 1.00 0.00 H new ATOM 0 HG2 LYS A 111 17.683 5.970 -20.172 1.00 0.00 H new ATOM 0 HG3 LYS A 111 16.870 7.266 -21.026 1.00 0.00 H new ATOM 0 HD2 LYS A 111 19.104 8.259 -21.623 1.00 0.00 H new ATOM 0 HD3 LYS A 111 19.903 6.939 -20.792 1.00 0.00 H new ATOM 0 HE2 LYS A 111 18.770 5.297 -22.309 1.00 0.00 H new ATOM 0 HE3 LYS A 111 17.967 6.616 -23.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 19.925 5.898 -24.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 20.126 7.493 -23.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 20.904 6.215 -22.972 1.00 0.00 H new ATOM 1657 N ALA A 112 16.337 9.721 -16.918 1.00 0.00 N ATOM 1658 CA ALA A 112 16.455 10.475 -15.681 1.00 0.00 C ATOM 1659 C ALA A 112 15.383 10.051 -14.678 1.00 0.00 C ATOM 1660 O ALA A 112 15.645 9.999 -13.478 1.00 0.00 O ATOM 1661 CB ALA A 112 16.346 11.965 -15.996 1.00 0.00 C ATOM 0 H ALA A 112 15.893 10.229 -17.682 1.00 0.00 H new ATOM 0 HA ALA A 112 17.424 10.271 -15.226 1.00 0.00 H new ATOM 0 HB1 ALA A 112 16.433 12.539 -15.074 1.00 0.00 H new ATOM 0 HB2 ALA A 112 17.145 12.252 -16.679 1.00 0.00 H new ATOM 0 HB3 ALA A 112 15.381 12.169 -16.460 1.00 0.00 H new ATOM 1667 N LEU A 113 14.175 9.740 -15.159 1.00 0.00 N ATOM 1668 CA LEU A 113 13.105 9.290 -14.285 1.00 0.00 C ATOM 1669 C LEU A 113 13.272 7.807 -13.955 1.00 0.00 C ATOM 1670 O LEU A 113 12.771 7.347 -12.933 1.00 0.00 O ATOM 1671 CB LEU A 113 11.744 9.584 -14.926 1.00 0.00 C ATOM 1672 CG LEU A 113 11.507 11.087 -15.117 1.00 0.00 C ATOM 1673 CD1 LEU A 113 10.138 11.310 -15.752 1.00 0.00 C ATOM 1674 CD2 LEU A 113 11.547 11.840 -13.784 1.00 0.00 C ATOM 0 H LEU A 113 13.922 9.794 -16.146 1.00 0.00 H new ATOM 0 HA LEU A 113 13.154 9.839 -13.344 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.683 9.083 -15.892 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.953 9.170 -14.301 1.00 0.00 H new ATOM 0 HG LEU A 113 12.302 11.467 -15.759 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.970 12.378 -15.888 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.100 10.811 -16.720 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.365 10.900 -15.102 1.00 0.00 H new ATOM 0 HD21 LEU A 113 11.375 12.902 -13.961 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.772 11.452 -13.123 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.523 11.703 -13.318 1.00 0.00 H new ATOM 1686 N ALA A 114 13.977 7.050 -14.803 1.00 0.00 N ATOM 1687 CA ALA A 114 14.303 5.670 -14.476 1.00 0.00 C ATOM 1688 C ALA A 114 15.386 5.639 -13.400 1.00 0.00 C ATOM 1689 O ALA A 114 15.502 4.656 -12.670 1.00 0.00 O ATOM 1690 CB ALA A 114 14.756 4.941 -15.740 1.00 0.00 C ATOM 0 H ALA A 114 14.326 7.369 -15.707 1.00 0.00 H new ATOM 0 HA ALA A 114 13.422 5.162 -14.084 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.000 3.907 -15.496 1.00 0.00 H new ATOM 0 HB2 ALA A 114 13.954 4.960 -16.478 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.637 5.435 -16.149 1.00 0.00 H new ATOM 1696 N ALA A 115 16.178 6.712 -13.303 1.00 0.00 N ATOM 1697 CA ALA A 115 17.193 6.859 -12.272 1.00 0.00 C ATOM 1698 C ALA A 115 16.608 7.481 -10.998 1.00 0.00 C ATOM 1699 O ALA A 115 17.246 7.443 -9.947 1.00 0.00 O ATOM 1700 CB ALA A 115 18.346 7.694 -12.828 1.00 0.00 C ATOM 0 H ALA A 115 16.127 7.503 -13.944 1.00 0.00 H new ATOM 0 HA ALA A 115 17.569 5.875 -11.992 1.00 0.00 H new ATOM 0 HB1 ALA A 115 19.113 7.810 -12.062 1.00 0.00 H new ATOM 0 HB2 ALA A 115 18.773 7.192 -13.696 1.00 0.00 H new ATOM 0 HB3 ALA A 115 17.975 8.676 -13.122 1.00 0.00 H new ATOM 1706 N LEU A 116 15.399 8.049 -11.085 1.00 0.00 N ATOM 1707 CA LEU A 116 14.704 8.608 -9.930 1.00 0.00 C ATOM 1708 C LEU A 116 14.055 7.480 -9.122 1.00 0.00 C ATOM 1709 O LEU A 116 13.972 7.556 -7.898 1.00 0.00 O ATOM 1710 CB LEU A 116 13.683 9.632 -10.456 1.00 0.00 C ATOM 1711 CG LEU A 116 13.096 10.584 -9.404 1.00 0.00 C ATOM 1712 CD1 LEU A 116 12.441 11.759 -10.124 1.00 0.00 C ATOM 1713 CD2 LEU A 116 12.006 9.944 -8.549 1.00 0.00 C ATOM 0 H LEU A 116 14.880 8.132 -11.959 1.00 0.00 H new ATOM 0 HA LEU A 116 15.389 9.117 -9.251 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.161 10.228 -11.233 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.863 9.091 -10.928 1.00 0.00 H new ATOM 0 HG LEU A 116 13.922 10.876 -8.756 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.019 12.446 -9.390 1.00 0.00 H new ATOM 0 HD12 LEU A 116 13.188 12.281 -10.722 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.648 11.391 -10.775 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.636 10.672 -7.827 1.00 0.00 H new ATOM 0 HD22 LEU A 116 11.186 9.618 -9.189 1.00 0.00 H new ATOM 0 HD23 LEU A 116 12.417 9.084 -8.019 1.00 0.00 H new ATOM 1725 N LEU A 117 13.598 6.431 -9.813 1.00 0.00 N ATOM 1726 CA LEU A 117 12.894 5.315 -9.195 1.00 0.00 C ATOM 1727 C LEU A 117 13.839 4.295 -8.549 1.00 0.00 C ATOM 1728 O LEU A 117 13.381 3.240 -8.109 1.00 0.00 O ATOM 1729 CB LEU A 117 11.974 4.654 -10.231 1.00 0.00 C ATOM 1730 CG LEU A 117 10.554 5.234 -10.207 1.00 0.00 C ATOM 1731 CD1 LEU A 117 10.527 6.736 -10.481 1.00 0.00 C ATOM 1732 CD2 LEU A 117 9.720 4.517 -11.267 1.00 0.00 C ATOM 0 H LEU A 117 13.709 6.337 -10.822 1.00 0.00 H new ATOM 0 HA LEU A 117 12.291 5.713 -8.378 1.00 0.00 H new ATOM 0 HB2 LEU A 117 12.400 4.784 -11.226 1.00 0.00 H new ATOM 0 HB3 LEU A 117 11.929 3.582 -10.041 1.00 0.00 H new ATOM 0 HG LEU A 117 10.147 5.081 -9.207 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.497 7.093 -10.452 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.112 7.255 -9.722 1.00 0.00 H new ATOM 0 HD13 LEU A 117 10.952 6.934 -11.465 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.706 4.917 -11.264 1.00 0.00 H new ATOM 0 HD22 LEU A 117 10.168 4.671 -12.248 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.690 3.450 -11.046 1.00 0.00 H new ATOM 1744 N VAL A 118 15.140 4.592 -8.483 1.00 0.00 N ATOM 1745 CA VAL A 118 16.133 3.693 -7.899 1.00 0.00 C ATOM 1746 C VAL A 118 17.071 4.439 -6.954 1.00 0.00 C ATOM 1747 O VAL A 118 17.156 5.683 -7.065 1.00 0.00 O ATOM 1748 CB VAL A 118 16.923 2.966 -8.994 1.00 0.00 C ATOM 1749 CG1 VAL A 118 15.993 2.109 -9.853 1.00 0.00 C ATOM 1750 CG2 VAL A 118 17.654 3.957 -9.901 1.00 0.00 C ATOM 0 H VAL A 118 15.533 5.465 -8.835 1.00 0.00 H new ATOM 0 HA VAL A 118 15.599 2.946 -7.312 1.00 0.00 H new ATOM 0 HB VAL A 118 17.654 2.330 -8.495 1.00 0.00 H new ATOM 0 HG11 VAL A 118 16.574 1.602 -10.624 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.498 1.368 -9.225 1.00 0.00 H new ATOM 0 HG13 VAL A 118 15.243 2.745 -10.323 1.00 0.00 H new ATOM 0 HG21 VAL A 118 18.205 3.411 -10.667 1.00 0.00 H new ATOM 0 HG22 VAL A 118 16.929 4.618 -10.377 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.350 4.549 -9.307 1.00 0.00 H new TER 1760 VAL A 118