USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 412 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 33 LYS NZ :NH3+ 153:sc= 0 (180deg=0) USER MOD Set 1.2: A 34 HIS : no HE2:sc= -9.41! C(o=-9.4!,f=-9.5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -152:sc= -6.16! (180deg=-7.21!) USER MOD Single : A 15 HIS : no HE2:sc= -0.243 K(o=-0.24,f=-2.3!) USER MOD Single : A 19 MET CE :methyl 135:sc= -6.95! (180deg=-7.32!) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0.0861 K(o=0.086,f=-0.84) USER MOD Single : A 27 ASN : amide:sc= -0.155 K(o=-0.15,f=-1.6) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.266 F(o=-2.5!,f=-0.27) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.456 K(o=-0.46,f=-1.9!) USER MOD Single : A 40 GLN : amide:sc= -0.513 K(o=-0.51,f=-1.5) USER MOD Single : A 43 THR OG1 : rot 81:sc= 0.361 USER MOD Single : A 47 GLN : amide:sc= -0.0533 K(o=-0.053,f=-1.5) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 19:sc= 0.63 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.963 12.987 -7.457 1.00 0.00 N ATOM 2 CA GLY A 1 -22.713 12.736 -6.240 1.00 0.00 C ATOM 3 C GLY A 1 -22.080 13.382 -5.024 1.00 0.00 C ATOM 4 O GLY A 1 -22.006 14.607 -4.932 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.437 12.524 -8.259 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.913 14.011 -7.629 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.001 12.605 -7.357 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.729 13.112 -6.359 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.788 11.661 -6.078 1.00 0.00 H new ATOM 8 N SER A 2 -21.624 12.557 -4.087 1.00 0.00 N ATOM 9 CA SER A 2 -20.999 13.055 -2.868 1.00 0.00 C ATOM 10 C SER A 2 -19.534 12.634 -2.797 1.00 0.00 C ATOM 11 O SER A 2 -19.223 11.467 -2.561 1.00 0.00 O ATOM 12 CB SER A 2 -21.749 12.541 -1.638 1.00 0.00 C ATOM 13 OG SER A 2 -23.129 12.853 -1.715 1.00 0.00 O ATOM 0 H SER A 2 -21.676 11.540 -4.149 1.00 0.00 H new ATOM 0 HA SER A 2 -21.046 14.144 -2.884 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.621 11.462 -1.555 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.323 12.983 -0.737 1.00 0.00 H new ATOM 0 HG SER A 2 -23.586 12.512 -0.918 1.00 0.00 H new ATOM 19 N SER A 3 -18.638 13.594 -3.003 1.00 0.00 N ATOM 20 CA SER A 3 -17.206 13.324 -2.967 1.00 0.00 C ATOM 21 C SER A 3 -16.407 14.623 -2.973 1.00 0.00 C ATOM 22 O SER A 3 -16.898 15.665 -3.408 1.00 0.00 O ATOM 23 CB SER A 3 -16.798 12.456 -4.159 1.00 0.00 C ATOM 24 OG SER A 3 -16.954 13.160 -5.379 1.00 0.00 O ATOM 0 H SER A 3 -18.879 14.566 -3.197 1.00 0.00 H new ATOM 0 HA SER A 3 -16.987 12.787 -2.044 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.760 12.143 -4.046 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.404 11.550 -4.178 1.00 0.00 H new ATOM 0 HG SER A 3 -16.685 12.585 -6.125 1.00 0.00 H new ATOM 30 N GLY A 4 -15.171 14.554 -2.488 1.00 0.00 N ATOM 31 CA GLY A 4 -14.323 15.731 -2.446 1.00 0.00 C ATOM 32 C GLY A 4 -12.927 15.459 -2.970 1.00 0.00 C ATOM 33 O GLY A 4 -12.577 15.881 -4.072 1.00 0.00 O ATOM 0 H GLY A 4 -14.742 13.704 -2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.780 16.526 -3.035 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.258 16.092 -1.420 1.00 0.00 H new ATOM 37 N SER A 5 -12.126 14.753 -2.178 1.00 0.00 N ATOM 38 CA SER A 5 -10.759 14.429 -2.567 1.00 0.00 C ATOM 39 C SER A 5 -10.686 13.042 -3.197 1.00 0.00 C ATOM 40 O SER A 5 -11.261 12.083 -2.681 1.00 0.00 O ATOM 41 CB SER A 5 -9.831 14.499 -1.352 1.00 0.00 C ATOM 42 OG SER A 5 -8.589 13.872 -1.622 1.00 0.00 O ATOM 0 H SER A 5 -12.400 14.395 -1.263 1.00 0.00 H new ATOM 0 HA SER A 5 -10.435 15.161 -3.307 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.664 15.541 -1.078 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.307 14.017 -0.498 1.00 0.00 H new ATOM 0 HG SER A 5 -8.014 13.932 -0.831 1.00 0.00 H new ATOM 48 N SER A 6 -9.976 12.944 -4.316 1.00 0.00 N ATOM 49 CA SER A 6 -9.831 11.675 -5.020 1.00 0.00 C ATOM 50 C SER A 6 -9.516 10.545 -4.045 1.00 0.00 C ATOM 51 O SER A 6 -10.245 9.557 -3.965 1.00 0.00 O ATOM 52 CB SER A 6 -8.727 11.776 -6.075 1.00 0.00 C ATOM 53 OG SER A 6 -8.663 10.599 -6.861 1.00 0.00 O ATOM 0 H SER A 6 -9.492 13.728 -4.755 1.00 0.00 H new ATOM 0 HA SER A 6 -10.777 11.452 -5.514 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.912 12.637 -6.718 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.767 11.943 -5.586 1.00 0.00 H new ATOM 0 HG SER A 6 -7.951 10.690 -7.528 1.00 0.00 H new ATOM 59 N GLY A 7 -8.423 10.699 -3.303 1.00 0.00 N ATOM 60 CA GLY A 7 -8.029 9.685 -2.342 1.00 0.00 C ATOM 61 C GLY A 7 -6.935 8.779 -2.871 1.00 0.00 C ATOM 62 O GLY A 7 -7.216 7.743 -3.472 1.00 0.00 O ATOM 0 H GLY A 7 -7.804 11.508 -3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.685 10.169 -1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.898 9.083 -2.076 1.00 0.00 H new ATOM 66 N GLN A 8 -5.685 9.172 -2.648 1.00 0.00 N ATOM 67 CA GLN A 8 -4.545 8.388 -3.109 1.00 0.00 C ATOM 68 C GLN A 8 -4.669 6.934 -2.665 1.00 0.00 C ATOM 69 O GLN A 8 -4.488 6.012 -3.461 1.00 0.00 O ATOM 70 CB GLN A 8 -3.241 8.986 -2.581 1.00 0.00 C ATOM 71 CG GLN A 8 -2.006 8.509 -3.327 1.00 0.00 C ATOM 72 CD GLN A 8 -0.742 9.217 -2.879 1.00 0.00 C ATOM 73 OE1 GLN A 8 -0.742 10.427 -2.654 1.00 0.00 O ATOM 74 NE2 GLN A 8 0.343 8.464 -2.747 1.00 0.00 N ATOM 0 H GLN A 8 -5.436 10.028 -2.152 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.534 8.416 -4.199 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.297 10.073 -2.646 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.137 8.735 -1.525 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.889 7.436 -3.178 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.148 8.669 -4.396 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.297 7.464 -2.944 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.223 8.885 -2.448 1.00 0.00 H new ATOM 83 N THR A 9 -4.978 6.735 -1.388 1.00 0.00 N ATOM 84 CA THR A 9 -5.125 5.394 -0.837 1.00 0.00 C ATOM 85 C THR A 9 -5.865 4.479 -1.806 1.00 0.00 C ATOM 86 O THR A 9 -5.372 3.409 -2.163 1.00 0.00 O ATOM 87 CB THR A 9 -5.879 5.417 0.506 1.00 0.00 C ATOM 88 OG1 THR A 9 -5.214 6.291 1.426 1.00 0.00 O ATOM 89 CG2 THR A 9 -5.968 4.020 1.101 1.00 0.00 C ATOM 0 H THR A 9 -5.131 7.486 -0.715 1.00 0.00 H new ATOM 0 HA THR A 9 -4.119 5.008 -0.674 1.00 0.00 H new ATOM 0 HB THR A 9 -6.890 5.782 0.324 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.700 6.302 2.277 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.505 4.062 2.049 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.500 3.364 0.412 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.964 3.632 1.269 1.00 0.00 H new ATOM 97 N ALA A 10 -7.050 4.907 -2.228 1.00 0.00 N ATOM 98 CA ALA A 10 -7.856 4.127 -3.158 1.00 0.00 C ATOM 99 C ALA A 10 -7.068 3.789 -4.419 1.00 0.00 C ATOM 100 O ALA A 10 -7.131 2.667 -4.920 1.00 0.00 O ATOM 101 CB ALA A 10 -9.128 4.881 -3.515 1.00 0.00 C ATOM 0 H ALA A 10 -7.473 5.790 -1.940 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.126 3.191 -2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.720 4.286 -4.210 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.708 5.066 -2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.869 5.832 -3.980 1.00 0.00 H new ATOM 107 N ALA A 11 -6.326 4.768 -4.927 1.00 0.00 N ATOM 108 CA ALA A 11 -5.524 4.574 -6.129 1.00 0.00 C ATOM 109 C ALA A 11 -4.762 3.254 -6.073 1.00 0.00 C ATOM 110 O ALA A 11 -4.953 2.379 -6.920 1.00 0.00 O ATOM 111 CB ALA A 11 -4.559 5.735 -6.313 1.00 0.00 C ATOM 0 H ALA A 11 -6.264 5.703 -4.525 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.199 4.538 -6.984 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.967 5.577 -7.214 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.121 6.664 -6.407 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.896 5.798 -5.450 1.00 0.00 H new ATOM 117 N LEU A 12 -3.899 3.116 -5.073 1.00 0.00 N ATOM 118 CA LEU A 12 -3.107 1.903 -4.907 1.00 0.00 C ATOM 119 C LEU A 12 -4.008 0.688 -4.707 1.00 0.00 C ATOM 120 O LEU A 12 -3.923 -0.289 -5.451 1.00 0.00 O ATOM 121 CB LEU A 12 -2.157 2.048 -3.717 1.00 0.00 C ATOM 122 CG LEU A 12 -0.961 2.978 -3.924 1.00 0.00 C ATOM 123 CD1 LEU A 12 -0.023 2.414 -4.980 1.00 0.00 C ATOM 124 CD2 LEU A 12 -1.429 4.372 -4.313 1.00 0.00 C ATOM 0 H LEU A 12 -3.730 3.830 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.522 1.754 -5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.729 2.409 -2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.782 1.059 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.415 3.050 -2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.822 3.089 -5.114 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.340 1.437 -4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.558 2.311 -5.924 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.564 5.020 -4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.000 4.319 -5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.059 4.778 -3.522 1.00 0.00 H new ATOM 136 N MET A 13 -4.872 0.758 -3.700 1.00 0.00 N ATOM 137 CA MET A 13 -5.791 -0.335 -3.405 1.00 0.00 C ATOM 138 C MET A 13 -6.241 -1.028 -4.687 1.00 0.00 C ATOM 139 O MET A 13 -6.287 -2.256 -4.757 1.00 0.00 O ATOM 140 CB MET A 13 -7.009 0.186 -2.639 1.00 0.00 C ATOM 141 CG MET A 13 -6.819 0.198 -1.131 1.00 0.00 C ATOM 142 SD MET A 13 -7.230 -1.382 -0.367 1.00 0.00 S ATOM 143 CE MET A 13 -6.533 -1.160 1.268 1.00 0.00 C ATOM 0 H MET A 13 -4.955 1.560 -3.075 1.00 0.00 H new ATOM 0 HA MET A 13 -5.265 -1.061 -2.786 1.00 0.00 H new ATOM 0 HB2 MET A 13 -7.235 1.198 -2.977 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.873 -0.432 -2.883 1.00 0.00 H new ATOM 0 HG2 MET A 13 -5.784 0.450 -0.901 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.441 0.980 -0.696 1.00 0.00 H new ATOM 0 HE1 MET A 13 -6.251 -2.130 1.678 1.00 0.00 H new ATOM 0 HE2 MET A 13 -5.651 -0.523 1.204 1.00 0.00 H new ATOM 0 HE3 MET A 13 -7.272 -0.692 1.918 1.00 0.00 H new ATOM 153 N ALA A 14 -6.572 -0.233 -5.700 1.00 0.00 N ATOM 154 CA ALA A 14 -7.017 -0.771 -6.980 1.00 0.00 C ATOM 155 C ALA A 14 -6.027 -1.799 -7.517 1.00 0.00 C ATOM 156 O ALA A 14 -6.332 -2.990 -7.589 1.00 0.00 O ATOM 157 CB ALA A 14 -7.210 0.354 -7.986 1.00 0.00 C ATOM 0 H ALA A 14 -6.540 0.786 -5.659 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.972 -1.272 -6.824 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.542 -0.062 -8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.960 1.051 -7.613 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.266 0.880 -8.130 1.00 0.00 H new ATOM 163 N HIS A 15 -4.841 -1.332 -7.893 1.00 0.00 N ATOM 164 CA HIS A 15 -3.806 -2.212 -8.424 1.00 0.00 C ATOM 165 C HIS A 15 -3.855 -3.578 -7.748 1.00 0.00 C ATOM 166 O HIS A 15 -3.718 -4.612 -8.403 1.00 0.00 O ATOM 167 CB HIS A 15 -2.425 -1.584 -8.231 1.00 0.00 C ATOM 168 CG HIS A 15 -2.002 -0.707 -9.369 1.00 0.00 C ATOM 169 ND1 HIS A 15 -2.378 -0.935 -10.676 1.00 0.00 N ATOM 170 CD2 HIS A 15 -1.230 0.405 -9.391 1.00 0.00 C ATOM 171 CE1 HIS A 15 -1.856 -0.003 -11.452 1.00 0.00 C ATOM 172 NE2 HIS A 15 -1.155 0.823 -10.696 1.00 0.00 N ATOM 0 H HIS A 15 -4.573 -0.349 -7.840 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.990 -2.347 -9.490 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.427 -0.998 -7.312 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -1.689 -2.377 -8.101 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -2.968 -1.704 -10.994 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -0.760 0.876 -8.540 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.981 0.071 -12.522 1.00 0.00 H new ATOM 181 N LEU A 16 -4.051 -3.576 -6.434 1.00 0.00 N ATOM 182 CA LEU A 16 -4.117 -4.816 -5.668 1.00 0.00 C ATOM 183 C LEU A 16 -5.359 -5.619 -6.040 1.00 0.00 C ATOM 184 O LEU A 16 -5.261 -6.761 -6.489 1.00 0.00 O ATOM 185 CB LEU A 16 -4.122 -4.513 -4.169 1.00 0.00 C ATOM 186 CG LEU A 16 -2.817 -3.964 -3.591 1.00 0.00 C ATOM 187 CD1 LEU A 16 -1.674 -4.937 -3.834 1.00 0.00 C ATOM 188 CD2 LEU A 16 -2.498 -2.603 -4.192 1.00 0.00 C ATOM 0 H LEU A 16 -4.167 -2.730 -5.877 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.236 -5.411 -5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.916 -3.795 -3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.376 -5.428 -3.634 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.942 -3.844 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.754 -4.529 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.899 -5.890 -3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.549 -5.091 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.566 -2.228 -3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.394 -2.698 -5.273 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.306 -1.907 -3.965 1.00 0.00 H new ATOM 200 N PHE A 17 -6.527 -5.014 -5.851 1.00 0.00 N ATOM 201 CA PHE A 17 -7.789 -5.673 -6.167 1.00 0.00 C ATOM 202 C PHE A 17 -7.756 -6.266 -7.573 1.00 0.00 C ATOM 203 O PHE A 17 -8.261 -7.363 -7.807 1.00 0.00 O ATOM 204 CB PHE A 17 -8.950 -4.683 -6.047 1.00 0.00 C ATOM 205 CG PHE A 17 -9.545 -4.623 -4.669 1.00 0.00 C ATOM 206 CD1 PHE A 17 -9.051 -3.737 -3.725 1.00 0.00 C ATOM 207 CD2 PHE A 17 -10.599 -5.451 -4.318 1.00 0.00 C ATOM 208 CE1 PHE A 17 -9.597 -3.679 -2.457 1.00 0.00 C ATOM 209 CE2 PHE A 17 -11.149 -5.398 -3.051 1.00 0.00 C ATOM 210 CZ PHE A 17 -10.648 -4.510 -2.120 1.00 0.00 C ATOM 0 H PHE A 17 -6.626 -4.069 -5.481 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.935 -6.483 -5.453 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.600 -3.689 -6.327 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.728 -4.959 -6.759 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.230 -3.084 -3.983 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.996 -6.146 -5.043 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -9.202 -2.985 -1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -11.969 -6.050 -2.790 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.077 -4.465 -1.130 1.00 0.00 H new ATOM 220 N GLU A 18 -7.157 -5.530 -8.505 1.00 0.00 N ATOM 221 CA GLU A 18 -7.059 -5.983 -9.888 1.00 0.00 C ATOM 222 C GLU A 18 -5.991 -7.063 -10.032 1.00 0.00 C ATOM 223 O GLU A 18 -6.200 -8.071 -10.707 1.00 0.00 O ATOM 224 CB GLU A 18 -6.738 -4.806 -10.811 1.00 0.00 C ATOM 225 CG GLU A 18 -5.416 -4.128 -10.496 1.00 0.00 C ATOM 226 CD GLU A 18 -5.071 -3.032 -11.486 1.00 0.00 C ATOM 227 OE1 GLU A 18 -5.895 -2.110 -11.661 1.00 0.00 O ATOM 228 OE2 GLU A 18 -3.977 -3.096 -12.085 1.00 0.00 O ATOM 0 H GLU A 18 -6.733 -4.619 -8.328 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.021 -6.408 -10.174 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.719 -5.159 -11.842 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.540 -4.071 -10.740 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.459 -3.705 -9.492 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.621 -4.874 -10.494 1.00 0.00 H new ATOM 235 N MET A 19 -4.846 -6.843 -9.394 1.00 0.00 N ATOM 236 CA MET A 19 -3.745 -7.798 -9.451 1.00 0.00 C ATOM 237 C MET A 19 -4.179 -9.161 -8.922 1.00 0.00 C ATOM 238 O MET A 19 -4.253 -10.134 -9.671 1.00 0.00 O ATOM 239 CB MET A 19 -2.552 -7.281 -8.645 1.00 0.00 C ATOM 240 CG MET A 19 -1.585 -6.439 -9.462 1.00 0.00 C ATOM 241 SD MET A 19 -0.092 -6.011 -8.547 1.00 0.00 S ATOM 242 CE MET A 19 -0.763 -4.915 -7.299 1.00 0.00 C ATOM 0 H MET A 19 -4.656 -6.013 -8.832 1.00 0.00 H new ATOM 0 HA MET A 19 -3.448 -7.911 -10.494 1.00 0.00 H new ATOM 0 HB2 MET A 19 -2.919 -6.688 -7.808 1.00 0.00 H new ATOM 0 HB3 MET A 19 -2.014 -8.130 -8.222 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.309 -6.983 -10.365 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.086 -5.525 -9.781 1.00 0.00 H new ATOM 0 HE1 MET A 19 -0.342 -5.170 -6.327 1.00 0.00 H new ATOM 0 HE2 MET A 19 -0.509 -3.884 -7.546 1.00 0.00 H new ATOM 0 HE3 MET A 19 -1.847 -5.023 -7.264 1.00 0.00 H new ATOM 252 N GLY A 20 -4.466 -9.224 -7.625 1.00 0.00 N ATOM 253 CA GLY A 20 -4.889 -10.472 -7.018 1.00 0.00 C ATOM 254 C GLY A 20 -4.903 -10.405 -5.504 1.00 0.00 C ATOM 255 O GLY A 20 -4.546 -11.371 -4.829 1.00 0.00 O ATOM 0 H GLY A 20 -4.413 -8.432 -6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.886 -10.727 -7.376 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.221 -11.272 -7.337 1.00 0.00 H new ATOM 259 N PHE A 21 -5.316 -9.261 -4.968 1.00 0.00 N ATOM 260 CA PHE A 21 -5.374 -9.071 -3.523 1.00 0.00 C ATOM 261 C PHE A 21 -6.533 -8.155 -3.141 1.00 0.00 C ATOM 262 O PHE A 21 -6.561 -6.982 -3.516 1.00 0.00 O ATOM 263 CB PHE A 21 -4.056 -8.484 -3.012 1.00 0.00 C ATOM 264 CG PHE A 21 -2.842 -9.212 -3.514 1.00 0.00 C ATOM 265 CD1 PHE A 21 -2.470 -10.428 -2.964 1.00 0.00 C ATOM 266 CD2 PHE A 21 -2.071 -8.679 -4.535 1.00 0.00 C ATOM 267 CE1 PHE A 21 -1.353 -11.100 -3.424 1.00 0.00 C ATOM 268 CE2 PHE A 21 -0.954 -9.347 -4.999 1.00 0.00 C ATOM 269 CZ PHE A 21 -0.594 -10.559 -4.442 1.00 0.00 C ATOM 0 H PHE A 21 -5.615 -8.452 -5.512 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.535 -10.044 -3.059 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.993 -7.438 -3.312 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.057 -8.504 -1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.060 -10.856 -2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.346 -7.731 -4.973 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.074 -12.048 -2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.363 -8.922 -5.797 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.279 -11.082 -4.802 1.00 0.00 H new ATOM 279 N CYS A 22 -7.487 -8.699 -2.394 1.00 0.00 N ATOM 280 CA CYS A 22 -8.650 -7.933 -1.962 1.00 0.00 C ATOM 281 C CYS A 22 -8.470 -7.431 -0.533 1.00 0.00 C ATOM 282 O CYS A 22 -8.669 -6.250 -0.249 1.00 0.00 O ATOM 283 CB CYS A 22 -9.915 -8.787 -2.060 1.00 0.00 C ATOM 284 SG CYS A 22 -10.350 -9.271 -3.747 1.00 0.00 S ATOM 0 H CYS A 22 -7.478 -9.668 -2.075 1.00 0.00 H new ATOM 0 HA CYS A 22 -8.751 -7.071 -2.621 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -9.781 -9.686 -1.459 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -10.748 -8.234 -1.626 1.00 0.00 H new ATOM 0 HG CYS A 22 -11.432 -9.992 -3.726 1.00 0.00 H new ATOM 290 N ASP A 23 -8.096 -8.337 0.364 1.00 0.00 N ATOM 291 CA ASP A 23 -7.889 -7.988 1.764 1.00 0.00 C ATOM 292 C ASP A 23 -7.324 -6.577 1.894 1.00 0.00 C ATOM 293 O ASP A 23 -6.120 -6.364 1.747 1.00 0.00 O ATOM 294 CB ASP A 23 -6.947 -8.992 2.430 1.00 0.00 C ATOM 295 CG ASP A 23 -7.615 -10.328 2.689 1.00 0.00 C ATOM 296 OD1 ASP A 23 -7.822 -11.086 1.719 1.00 0.00 O ATOM 297 OD2 ASP A 23 -7.931 -10.616 3.863 1.00 0.00 O ATOM 0 H ASP A 23 -7.930 -9.319 0.146 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.855 -8.021 2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.074 -9.143 1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.589 -8.579 3.373 1.00 0.00 H new ATOM 302 N ARG A 24 -8.200 -5.617 2.171 1.00 0.00 N ATOM 303 CA ARG A 24 -7.788 -4.226 2.319 1.00 0.00 C ATOM 304 C ARG A 24 -6.997 -4.027 3.608 1.00 0.00 C ATOM 305 O ARG A 24 -6.141 -3.147 3.692 1.00 0.00 O ATOM 306 CB ARG A 24 -9.010 -3.306 2.311 1.00 0.00 C ATOM 307 CG ARG A 24 -9.761 -3.279 3.632 1.00 0.00 C ATOM 308 CD ARG A 24 -10.536 -4.568 3.860 1.00 0.00 C ATOM 309 NE ARG A 24 -11.614 -4.394 4.829 1.00 0.00 N ATOM 310 CZ ARG A 24 -12.244 -5.406 5.416 1.00 0.00 C ATOM 311 NH1 ARG A 24 -11.905 -6.656 5.134 1.00 0.00 N ATOM 312 NH2 ARG A 24 -13.215 -5.167 6.289 1.00 0.00 N ATOM 0 H ARG A 24 -9.199 -5.777 2.297 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.145 -3.973 1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.690 -2.294 2.064 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.691 -3.627 1.522 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.056 -3.128 4.449 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.448 -2.433 3.644 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.952 -4.913 2.913 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.855 -5.343 4.211 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.899 -3.444 5.068 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.158 -6.843 4.465 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.391 -7.431 5.586 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.478 -4.206 6.509 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.698 -5.944 6.739 1.00 0.00 H new ATOM 326 N GLN A 25 -7.290 -4.851 4.609 1.00 0.00 N ATOM 327 CA GLN A 25 -6.607 -4.764 5.895 1.00 0.00 C ATOM 328 C GLN A 25 -5.097 -4.889 5.718 1.00 0.00 C ATOM 329 O GLN A 25 -4.327 -4.132 6.311 1.00 0.00 O ATOM 330 CB GLN A 25 -7.114 -5.855 6.840 1.00 0.00 C ATOM 331 CG GLN A 25 -7.192 -7.230 6.196 1.00 0.00 C ATOM 332 CD GLN A 25 -7.607 -8.310 7.176 1.00 0.00 C ATOM 333 OE1 GLN A 25 -7.351 -8.207 8.376 1.00 0.00 O ATOM 334 NE2 GLN A 25 -8.251 -9.354 6.668 1.00 0.00 N ATOM 0 H GLN A 25 -7.995 -5.586 4.555 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.824 -3.788 6.329 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.457 -5.906 7.708 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.103 -5.577 7.205 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -7.903 -7.201 5.371 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.221 -7.484 5.771 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.442 -9.398 5.667 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.555 -10.112 7.279 1.00 0.00 H new ATOM 343 N LEU A 26 -4.680 -5.848 4.899 1.00 0.00 N ATOM 344 CA LEU A 26 -3.261 -6.072 4.644 1.00 0.00 C ATOM 345 C LEU A 26 -2.676 -4.949 3.794 1.00 0.00 C ATOM 346 O LEU A 26 -1.783 -4.226 4.232 1.00 0.00 O ATOM 347 CB LEU A 26 -3.055 -7.417 3.945 1.00 0.00 C ATOM 348 CG LEU A 26 -2.840 -8.623 4.860 1.00 0.00 C ATOM 349 CD1 LEU A 26 -1.453 -8.581 5.481 1.00 0.00 C ATOM 350 CD2 LEU A 26 -3.910 -8.669 5.941 1.00 0.00 C ATOM 0 H LEU A 26 -5.304 -6.483 4.400 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.742 -6.084 5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.923 -7.614 3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.194 -7.331 3.282 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.919 -9.529 4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.318 -9.447 6.129 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.701 -8.597 4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.344 -7.669 6.067 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.742 -9.534 6.583 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.863 -7.759 6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.893 -8.748 5.477 1.00 0.00 H new ATOM 362 N ASN A 27 -3.188 -4.808 2.575 1.00 0.00 N ATOM 363 CA ASN A 27 -2.718 -3.772 1.663 1.00 0.00 C ATOM 364 C ASN A 27 -2.331 -2.510 2.428 1.00 0.00 C ATOM 365 O ASN A 27 -1.168 -2.104 2.430 1.00 0.00 O ATOM 366 CB ASN A 27 -3.798 -3.444 0.630 1.00 0.00 C ATOM 367 CG ASN A 27 -4.261 -4.672 -0.130 1.00 0.00 C ATOM 368 OD1 ASN A 27 -3.614 -5.718 -0.096 1.00 0.00 O ATOM 369 ND2 ASN A 27 -5.388 -4.548 -0.823 1.00 0.00 N ATOM 0 H ASN A 27 -3.929 -5.399 2.196 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.835 -4.149 1.148 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.651 -2.988 1.132 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.412 -2.708 -0.075 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.749 -5.340 -1.355 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.892 -3.661 -0.823 1.00 0.00 H new ATOM 376 N LEU A 28 -3.312 -1.893 3.077 1.00 0.00 N ATOM 377 CA LEU A 28 -3.075 -0.677 3.847 1.00 0.00 C ATOM 378 C LEU A 28 -1.799 -0.797 4.674 1.00 0.00 C ATOM 379 O LEU A 28 -0.869 -0.005 4.517 1.00 0.00 O ATOM 380 CB LEU A 28 -4.265 -0.390 4.764 1.00 0.00 C ATOM 381 CG LEU A 28 -5.374 0.481 4.171 1.00 0.00 C ATOM 382 CD1 LEU A 28 -6.558 0.558 5.122 1.00 0.00 C ATOM 383 CD2 LEU A 28 -4.848 1.874 3.857 1.00 0.00 C ATOM 0 H LEU A 28 -4.280 -2.215 3.085 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.956 0.150 3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.701 -1.341 5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.894 0.094 5.667 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.711 0.024 3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.337 1.182 4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.950 -0.444 5.296 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.236 0.991 6.069 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.651 2.480 3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.484 2.340 4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.033 1.801 3.137 1.00 0.00 H new ATOM 395 N ARG A 29 -1.761 -1.792 5.554 1.00 0.00 N ATOM 396 CA ARG A 29 -0.598 -2.016 6.405 1.00 0.00 C ATOM 397 C ARG A 29 0.694 -1.726 5.647 1.00 0.00 C ATOM 398 O ARG A 29 1.566 -1.006 6.137 1.00 0.00 O ATOM 399 CB ARG A 29 -0.587 -3.456 6.921 1.00 0.00 C ATOM 400 CG ARG A 29 -1.779 -3.796 7.802 1.00 0.00 C ATOM 401 CD ARG A 29 -1.531 -3.404 9.250 1.00 0.00 C ATOM 402 NE ARG A 29 -2.774 -3.105 9.956 1.00 0.00 N ATOM 403 CZ ARG A 29 -3.562 -4.036 10.483 1.00 0.00 C ATOM 404 NH1 ARG A 29 -3.237 -5.317 10.385 1.00 0.00 N ATOM 405 NH2 ARG A 29 -4.677 -3.685 11.111 1.00 0.00 N ATOM 0 H ARG A 29 -2.522 -2.456 5.697 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.663 -1.334 7.253 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.568 -4.138 6.071 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.331 -3.624 7.485 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.665 -3.281 7.431 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.983 -4.865 7.743 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.010 -4.214 9.761 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.877 -2.533 9.283 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.052 -2.128 10.050 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.380 -5.590 9.904 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.844 -6.030 10.791 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.930 -2.700 11.189 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.281 -4.400 11.515 1.00 0.00 H new ATOM 419 N LEU A 30 0.811 -2.290 4.451 1.00 0.00 N ATOM 420 CA LEU A 30 1.997 -2.093 3.625 1.00 0.00 C ATOM 421 C LEU A 30 2.029 -0.683 3.044 1.00 0.00 C ATOM 422 O LEU A 30 3.068 -0.022 3.045 1.00 0.00 O ATOM 423 CB LEU A 30 2.033 -3.123 2.494 1.00 0.00 C ATOM 424 CG LEU A 30 2.322 -4.566 2.909 1.00 0.00 C ATOM 425 CD1 LEU A 30 3.748 -4.699 3.420 1.00 0.00 C ATOM 426 CD2 LEU A 30 1.329 -5.026 3.967 1.00 0.00 C ATOM 0 H LEU A 30 0.099 -2.888 4.031 1.00 0.00 H new ATOM 0 HA LEU A 30 2.875 -2.226 4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.073 -3.100 1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.790 -2.815 1.773 1.00 0.00 H new ATOM 0 HG LEU A 30 2.211 -5.205 2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.935 -5.733 3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.445 -4.411 2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.887 -4.048 4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.550 -6.055 4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.408 -4.383 4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.317 -4.969 3.565 1.00 0.00 H new ATOM 438 N LEU A 31 0.883 -0.226 2.551 1.00 0.00 N ATOM 439 CA LEU A 31 0.778 1.108 1.970 1.00 0.00 C ATOM 440 C LEU A 31 1.250 2.171 2.957 1.00 0.00 C ATOM 441 O LEU A 31 1.814 3.192 2.563 1.00 0.00 O ATOM 442 CB LEU A 31 -0.666 1.390 1.550 1.00 0.00 C ATOM 443 CG LEU A 31 -1.251 0.459 0.488 1.00 0.00 C ATOM 444 CD1 LEU A 31 -2.680 0.858 0.157 1.00 0.00 C ATOM 445 CD2 LEU A 31 -0.388 0.471 -0.765 1.00 0.00 C ATOM 0 H LEU A 31 0.014 -0.759 2.542 1.00 0.00 H new ATOM 0 HA LEU A 31 1.420 1.146 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.298 1.339 2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.722 2.413 1.178 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.262 -0.555 0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.080 0.184 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.292 0.797 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.694 1.880 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.819 -0.197 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.344 1.483 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.619 0.136 -0.517 1.00 0.00 H new ATOM 457 N LYS A 32 1.017 1.923 4.241 1.00 0.00 N ATOM 458 CA LYS A 32 1.420 2.857 5.286 1.00 0.00 C ATOM 459 C LYS A 32 2.780 2.473 5.862 1.00 0.00 C ATOM 460 O LYS A 32 3.293 3.136 6.764 1.00 0.00 O ATOM 461 CB LYS A 32 0.373 2.890 6.401 1.00 0.00 C ATOM 462 CG LYS A 32 -0.858 3.711 6.055 1.00 0.00 C ATOM 463 CD LYS A 32 -2.020 3.390 6.980 1.00 0.00 C ATOM 464 CE LYS A 32 -3.327 3.960 6.451 1.00 0.00 C ATOM 465 NZ LYS A 32 -3.430 5.426 6.693 1.00 0.00 N ATOM 0 H LYS A 32 0.551 1.083 4.583 1.00 0.00 H new ATOM 0 HA LYS A 32 1.499 3.849 4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.066 1.870 6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.829 3.296 7.304 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.620 4.772 6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.149 3.516 5.023 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.111 2.309 7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.820 3.796 7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.403 3.762 5.382 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.165 3.453 6.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.334 5.777 6.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.383 5.613 7.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.645 5.913 6.215 1.00 0.00 H new ATOM 479 N LYS A 33 3.359 1.400 5.335 1.00 0.00 N ATOM 480 CA LYS A 33 4.661 0.930 5.794 1.00 0.00 C ATOM 481 C LYS A 33 5.755 1.295 4.796 1.00 0.00 C ATOM 482 O LYS A 33 6.712 1.991 5.136 1.00 0.00 O ATOM 483 CB LYS A 33 4.633 -0.586 6.005 1.00 0.00 C ATOM 484 CG LYS A 33 5.861 -1.124 6.718 1.00 0.00 C ATOM 485 CD LYS A 33 6.969 -1.470 5.737 1.00 0.00 C ATOM 486 CE LYS A 33 8.215 -1.964 6.455 1.00 0.00 C ATOM 487 NZ LYS A 33 9.456 -1.647 5.695 1.00 0.00 N ATOM 0 H LYS A 33 2.947 0.839 4.589 1.00 0.00 H new ATOM 0 HA LYS A 33 4.882 1.419 6.743 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.745 -0.848 6.581 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.541 -1.077 5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.223 -0.383 7.430 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.591 -2.011 7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.618 -2.236 5.046 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.216 -0.592 5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.269 -1.509 7.444 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.145 -3.042 6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.256 -1.564 6.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.648 -2.407 5.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.332 -0.748 5.187 1.00 0.00 H new ATOM 501 N HIS A 34 5.606 0.822 3.563 1.00 0.00 N ATOM 502 CA HIS A 34 6.581 1.101 2.514 1.00 0.00 C ATOM 503 C HIS A 34 6.302 2.449 1.858 1.00 0.00 C ATOM 504 O HIS A 34 6.753 2.713 0.744 1.00 0.00 O ATOM 505 CB HIS A 34 6.559 -0.007 1.460 1.00 0.00 C ATOM 506 CG HIS A 34 6.761 -1.378 2.028 1.00 0.00 C ATOM 507 ND1 HIS A 34 7.894 -1.745 2.724 1.00 0.00 N ATOM 508 CD2 HIS A 34 5.966 -2.473 2.002 1.00 0.00 C ATOM 509 CE1 HIS A 34 7.788 -3.007 3.099 1.00 0.00 C ATOM 510 NE2 HIS A 34 6.627 -3.472 2.674 1.00 0.00 N ATOM 0 H HIS A 34 4.820 0.244 3.265 1.00 0.00 H new ATOM 0 HA HIS A 34 7.570 1.137 2.971 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.605 0.022 0.934 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.336 0.190 0.722 1.00 0.00 H new ATOM 0 HD1 HIS A 34 8.689 -1.137 2.919 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.993 -2.547 1.539 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.525 -3.564 3.658 1.00 0.00 H new ATOM 519 N ASN A 35 5.555 3.299 2.556 1.00 0.00 N ATOM 520 CA ASN A 35 5.215 4.620 2.040 1.00 0.00 C ATOM 521 C ASN A 35 4.401 4.508 0.754 1.00 0.00 C ATOM 522 O ASN A 35 4.641 5.235 -0.210 1.00 0.00 O ATOM 523 CB ASN A 35 6.486 5.433 1.783 1.00 0.00 C ATOM 524 CG ASN A 35 7.439 5.402 2.962 1.00 0.00 C ATOM 525 OD1 ASN A 35 8.222 4.334 3.062 1.00 0.00 O flip ATOM 526 ND2 ASN A 35 7.472 6.329 3.772 1.00 0.00 N flip ATOM 0 H ASN A 35 5.174 3.096 3.480 1.00 0.00 H new ATOM 0 HA ASN A 35 4.610 5.131 2.789 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.992 5.042 0.900 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.216 6.466 1.565 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.852 7.130 3.656 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.120 6.296 4.559 1.00 0.00 H new ATOM 533 N TYR A 36 3.437 3.595 0.749 1.00 0.00 N ATOM 534 CA TYR A 36 2.588 3.387 -0.418 1.00 0.00 C ATOM 535 C TYR A 36 3.414 2.945 -1.622 1.00 0.00 C ATOM 536 O TYR A 36 3.191 3.400 -2.743 1.00 0.00 O ATOM 537 CB TYR A 36 1.823 4.668 -0.753 1.00 0.00 C ATOM 538 CG TYR A 36 0.935 5.155 0.370 1.00 0.00 C ATOM 539 CD1 TYR A 36 1.477 5.755 1.499 1.00 0.00 C ATOM 540 CD2 TYR A 36 -0.445 5.014 0.302 1.00 0.00 C ATOM 541 CE1 TYR A 36 0.670 6.201 2.528 1.00 0.00 C ATOM 542 CE2 TYR A 36 -1.260 5.458 1.325 1.00 0.00 C ATOM 543 CZ TYR A 36 -0.698 6.050 2.436 1.00 0.00 C ATOM 544 OH TYR A 36 -1.505 6.493 3.459 1.00 0.00 O ATOM 0 H TYR A 36 3.224 2.987 1.540 1.00 0.00 H new ATOM 0 HA TYR A 36 1.875 2.597 -0.180 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.537 5.452 -1.006 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.212 4.495 -1.639 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.548 5.875 1.574 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.889 4.549 -0.566 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.108 6.665 3.399 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.331 5.342 1.255 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.442 6.313 3.238 1.00 0.00 H new ATOM 554 N ASN A 37 4.371 2.055 -1.380 1.00 0.00 N ATOM 555 CA ASN A 37 5.233 1.550 -2.443 1.00 0.00 C ATOM 556 C ASN A 37 4.709 0.223 -2.983 1.00 0.00 C ATOM 557 O ASN A 37 5.174 -0.846 -2.588 1.00 0.00 O ATOM 558 CB ASN A 37 6.663 1.376 -1.929 1.00 0.00 C ATOM 559 CG ASN A 37 7.484 2.643 -2.063 1.00 0.00 C ATOM 560 OD1 ASN A 37 6.959 3.703 -2.404 1.00 0.00 O ATOM 561 ND2 ASN A 37 8.781 2.539 -1.794 1.00 0.00 N ATOM 0 H ASN A 37 4.569 1.668 -0.457 1.00 0.00 H new ATOM 0 HA ASN A 37 5.232 2.278 -3.254 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.635 1.073 -0.882 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.149 0.571 -2.481 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.384 3.358 -1.867 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.173 1.640 -1.515 1.00 0.00 H new ATOM 568 N ILE A 38 3.740 0.301 -3.889 1.00 0.00 N ATOM 569 CA ILE A 38 3.155 -0.894 -4.486 1.00 0.00 C ATOM 570 C ILE A 38 4.202 -1.987 -4.666 1.00 0.00 C ATOM 571 O ILE A 38 3.917 -3.171 -4.480 1.00 0.00 O ATOM 572 CB ILE A 38 2.511 -0.584 -5.850 1.00 0.00 C ATOM 573 CG1 ILE A 38 1.571 -1.718 -6.264 1.00 0.00 C ATOM 574 CG2 ILE A 38 3.586 -0.369 -6.906 1.00 0.00 C ATOM 575 CD1 ILE A 38 0.280 -1.750 -5.475 1.00 0.00 C ATOM 0 H ILE A 38 3.343 1.178 -4.226 1.00 0.00 H new ATOM 0 HA ILE A 38 2.383 -1.244 -3.801 1.00 0.00 H new ATOM 0 HB ILE A 38 1.928 0.332 -5.760 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.337 -1.617 -7.324 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.087 -2.670 -6.141 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.116 -0.151 -7.865 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.220 0.468 -6.614 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.193 -1.270 -6.996 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.338 -2.579 -5.821 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.504 -1.882 -4.416 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.257 -0.812 -5.618 1.00 0.00 H new ATOM 587 N LEU A 39 5.415 -1.584 -5.028 1.00 0.00 N ATOM 588 CA LEU A 39 6.507 -2.529 -5.231 1.00 0.00 C ATOM 589 C LEU A 39 6.726 -3.385 -3.988 1.00 0.00 C ATOM 590 O LEU A 39 6.593 -4.608 -4.033 1.00 0.00 O ATOM 591 CB LEU A 39 7.795 -1.783 -5.584 1.00 0.00 C ATOM 592 CG LEU A 39 7.822 -1.101 -6.952 1.00 0.00 C ATOM 593 CD1 LEU A 39 9.237 -1.079 -7.509 1.00 0.00 C ATOM 594 CD2 LEU A 39 6.878 -1.804 -7.917 1.00 0.00 C ATOM 0 H LEU A 39 5.667 -0.608 -5.187 1.00 0.00 H new ATOM 0 HA LEU A 39 6.236 -3.186 -6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.974 -1.027 -4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.625 -2.488 -5.535 1.00 0.00 H new ATOM 0 HG LEU A 39 7.485 -0.072 -6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.237 -0.590 -8.483 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.888 -0.531 -6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.602 -2.101 -7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.910 -1.305 -8.886 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.185 -2.843 -8.034 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.862 -1.768 -7.524 1.00 0.00 H new ATOM 606 N GLN A 40 7.059 -2.733 -2.878 1.00 0.00 N ATOM 607 CA GLN A 40 7.294 -3.435 -1.622 1.00 0.00 C ATOM 608 C GLN A 40 6.040 -4.176 -1.169 1.00 0.00 C ATOM 609 O GLN A 40 6.089 -5.365 -0.854 1.00 0.00 O ATOM 610 CB GLN A 40 7.737 -2.450 -0.539 1.00 0.00 C ATOM 611 CG GLN A 40 9.171 -1.972 -0.701 1.00 0.00 C ATOM 612 CD GLN A 40 10.155 -3.117 -0.843 1.00 0.00 C ATOM 613 OE1 GLN A 40 9.921 -4.217 -0.343 1.00 0.00 O ATOM 614 NE2 GLN A 40 11.265 -2.862 -1.526 1.00 0.00 N ATOM 0 H GLN A 40 7.172 -1.721 -2.823 1.00 0.00 H new ATOM 0 HA GLN A 40 8.086 -4.166 -1.786 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.072 -1.587 -0.551 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.629 -2.923 0.437 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.239 -1.329 -1.578 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.447 -1.365 0.161 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.418 -1.935 -1.923 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.965 -3.593 -1.653 1.00 0.00 H new ATOM 623 N VAL A 41 4.917 -3.466 -1.139 1.00 0.00 N ATOM 624 CA VAL A 41 3.650 -4.056 -0.726 1.00 0.00 C ATOM 625 C VAL A 41 3.415 -5.394 -1.418 1.00 0.00 C ATOM 626 O VAL A 41 3.014 -6.371 -0.785 1.00 0.00 O ATOM 627 CB VAL A 41 2.467 -3.118 -1.033 1.00 0.00 C ATOM 628 CG1 VAL A 41 1.156 -3.748 -0.586 1.00 0.00 C ATOM 629 CG2 VAL A 41 2.673 -1.766 -0.366 1.00 0.00 C ATOM 0 H VAL A 41 4.859 -2.481 -1.396 1.00 0.00 H new ATOM 0 HA VAL A 41 3.711 -4.212 0.351 1.00 0.00 H new ATOM 0 HB VAL A 41 2.419 -2.963 -2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.332 -3.071 -0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.006 -4.690 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.189 -3.935 0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.828 -1.116 -0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.748 -1.900 0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.591 -1.312 -0.739 1.00 0.00 H new ATOM 639 N VAL A 42 3.669 -5.433 -2.722 1.00 0.00 N ATOM 640 CA VAL A 42 3.488 -6.652 -3.501 1.00 0.00 C ATOM 641 C VAL A 42 4.603 -7.653 -3.222 1.00 0.00 C ATOM 642 O VAL A 42 4.362 -8.736 -2.687 1.00 0.00 O ATOM 643 CB VAL A 42 3.447 -6.352 -5.011 1.00 0.00 C ATOM 644 CG1 VAL A 42 3.507 -7.643 -5.813 1.00 0.00 C ATOM 645 CG2 VAL A 42 2.201 -5.554 -5.362 1.00 0.00 C ATOM 0 H VAL A 42 4.001 -4.634 -3.262 1.00 0.00 H new ATOM 0 HA VAL A 42 2.534 -7.083 -3.198 1.00 0.00 H new ATOM 0 HB VAL A 42 4.319 -5.751 -5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.477 -7.412 -6.878 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.432 -8.172 -5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.655 -8.272 -5.554 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.189 -5.351 -6.433 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.314 -6.126 -5.091 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.206 -4.612 -4.814 1.00 0.00 H new ATOM 655 N THR A 43 5.827 -7.285 -3.589 1.00 0.00 N ATOM 656 CA THR A 43 6.981 -8.150 -3.379 1.00 0.00 C ATOM 657 C THR A 43 6.927 -8.816 -2.008 1.00 0.00 C ATOM 658 O THR A 43 7.266 -9.990 -1.865 1.00 0.00 O ATOM 659 CB THR A 43 8.301 -7.367 -3.506 1.00 0.00 C ATOM 660 OG1 THR A 43 8.416 -6.811 -4.820 1.00 0.00 O ATOM 661 CG2 THR A 43 9.494 -8.268 -3.224 1.00 0.00 C ATOM 0 H THR A 43 6.044 -6.393 -4.033 1.00 0.00 H new ATOM 0 HA THR A 43 6.947 -8.916 -4.153 1.00 0.00 H new ATOM 0 HB THR A 43 8.293 -6.562 -2.771 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.886 -5.988 -4.875 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.415 -7.693 -3.320 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.418 -8.666 -2.212 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.505 -9.092 -3.938 1.00 0.00 H new ATOM 669 N GLU A 44 6.498 -8.058 -1.004 1.00 0.00 N ATOM 670 CA GLU A 44 6.400 -8.576 0.355 1.00 0.00 C ATOM 671 C GLU A 44 5.245 -9.564 0.479 1.00 0.00 C ATOM 672 O GLU A 44 5.419 -10.683 0.964 1.00 0.00 O ATOM 673 CB GLU A 44 6.213 -7.428 1.350 1.00 0.00 C ATOM 674 CG GLU A 44 5.881 -7.891 2.759 1.00 0.00 C ATOM 675 CD GLU A 44 7.037 -8.616 3.421 1.00 0.00 C ATOM 676 OE1 GLU A 44 7.684 -9.442 2.745 1.00 0.00 O ATOM 677 OE2 GLU A 44 7.293 -8.358 4.616 1.00 0.00 O ATOM 0 H GLU A 44 6.213 -7.084 -1.106 1.00 0.00 H new ATOM 0 HA GLU A 44 7.328 -9.099 0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.124 -6.831 1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.416 -6.776 0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.603 -7.029 3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.014 -8.551 2.726 1.00 0.00 H new ATOM 684 N LEU A 45 4.064 -9.143 0.039 1.00 0.00 N ATOM 685 CA LEU A 45 2.878 -9.991 0.101 1.00 0.00 C ATOM 686 C LEU A 45 3.186 -11.396 -0.405 1.00 0.00 C ATOM 687 O LEU A 45 3.057 -12.375 0.331 1.00 0.00 O ATOM 688 CB LEU A 45 1.745 -9.377 -0.724 1.00 0.00 C ATOM 689 CG LEU A 45 0.993 -8.217 -0.071 1.00 0.00 C ATOM 690 CD1 LEU A 45 0.331 -7.347 -1.128 1.00 0.00 C ATOM 691 CD2 LEU A 45 -0.041 -8.740 0.916 1.00 0.00 C ATOM 0 H LEU A 45 3.902 -8.220 -0.364 1.00 0.00 H new ATOM 0 HA LEU A 45 2.565 -10.060 1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.159 -9.029 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.027 -10.163 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 45 1.711 -7.606 0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.199 -6.527 -0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.092 -6.943 -1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.375 -7.947 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.567 -7.901 1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.756 -9.375 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.458 -9.320 1.693 1.00 0.00 H new ATOM 703 N LEU A 46 3.596 -11.489 -1.666 1.00 0.00 N ATOM 704 CA LEU A 46 3.926 -12.775 -2.270 1.00 0.00 C ATOM 705 C LEU A 46 4.778 -13.618 -1.327 1.00 0.00 C ATOM 706 O LEU A 46 4.566 -14.823 -1.194 1.00 0.00 O ATOM 707 CB LEU A 46 4.665 -12.565 -3.593 1.00 0.00 C ATOM 708 CG LEU A 46 3.835 -11.990 -4.741 1.00 0.00 C ATOM 709 CD1 LEU A 46 4.726 -11.651 -5.926 1.00 0.00 C ATOM 710 CD2 LEU A 46 2.745 -12.968 -5.154 1.00 0.00 C ATOM 0 H LEU A 46 3.708 -10.689 -2.289 1.00 0.00 H new ATOM 0 HA LEU A 46 2.994 -13.308 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.509 -11.900 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.076 -13.523 -3.912 1.00 0.00 H new ATOM 0 HG LEU A 46 3.359 -11.072 -4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.118 -11.243 -6.733 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.469 -10.913 -5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.230 -12.553 -6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.165 -12.542 -5.972 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.200 -13.903 -5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.089 -13.161 -4.305 1.00 0.00 H new ATOM 722 N GLN A 47 5.740 -12.975 -0.673 1.00 0.00 N ATOM 723 CA GLN A 47 6.623 -13.666 0.259 1.00 0.00 C ATOM 724 C GLN A 47 5.847 -14.169 1.473 1.00 0.00 C ATOM 725 O GLN A 47 5.992 -15.322 1.881 1.00 0.00 O ATOM 726 CB GLN A 47 7.751 -12.737 0.710 1.00 0.00 C ATOM 727 CG GLN A 47 8.838 -12.548 -0.335 1.00 0.00 C ATOM 728 CD GLN A 47 9.615 -11.261 -0.144 1.00 0.00 C ATOM 729 OE1 GLN A 47 9.430 -10.552 0.846 1.00 0.00 O ATOM 730 NE2 GLN A 47 10.492 -10.951 -1.092 1.00 0.00 N ATOM 0 H GLN A 47 5.928 -11.977 -0.771 1.00 0.00 H new ATOM 0 HA GLN A 47 7.053 -14.525 -0.256 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.330 -11.764 0.964 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.199 -13.138 1.619 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.526 -13.392 -0.295 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.387 -12.552 -1.327 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.613 -11.567 -1.896 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.044 -10.097 -1.016 1.00 0.00 H new ATOM 739 N LEU A 48 5.024 -13.297 2.045 1.00 0.00 N ATOM 740 CA LEU A 48 4.225 -13.653 3.213 1.00 0.00 C ATOM 741 C LEU A 48 3.298 -14.824 2.902 1.00 0.00 C ATOM 742 O LEU A 48 3.144 -15.738 3.712 1.00 0.00 O ATOM 743 CB LEU A 48 3.405 -12.449 3.680 1.00 0.00 C ATOM 744 CG LEU A 48 4.201 -11.197 4.048 1.00 0.00 C ATOM 745 CD1 LEU A 48 3.326 -9.958 3.942 1.00 0.00 C ATOM 746 CD2 LEU A 48 4.780 -11.325 5.449 1.00 0.00 C ATOM 0 H LEU A 48 4.892 -12.339 1.720 1.00 0.00 H new ATOM 0 HA LEU A 48 4.905 -13.953 4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.699 -12.188 2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.817 -12.749 4.547 1.00 0.00 H new ATOM 0 HG LEU A 48 5.027 -11.095 3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.910 -9.077 4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.961 -9.857 2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.479 -10.051 4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.343 -10.424 5.694 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.970 -11.453 6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.442 -12.190 5.491 1.00 0.00 H new ATOM 758 N SER A 49 2.686 -14.791 1.723 1.00 0.00 N ATOM 759 CA SER A 49 1.774 -15.849 1.306 1.00 0.00 C ATOM 760 C SER A 49 2.502 -17.186 1.203 1.00 0.00 C ATOM 761 O SER A 49 2.032 -18.202 1.712 1.00 0.00 O ATOM 762 CB SER A 49 1.134 -15.499 -0.040 1.00 0.00 C ATOM 763 OG SER A 49 0.482 -16.624 -0.602 1.00 0.00 O ATOM 0 H SER A 49 2.805 -14.043 1.040 1.00 0.00 H new ATOM 0 HA SER A 49 0.992 -15.938 2.060 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.417 -14.689 0.094 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.899 -15.137 -0.727 1.00 0.00 H new ATOM 0 HG SER A 49 0.080 -16.374 -1.460 1.00 0.00 H new ATOM 769 N GLY A 50 3.654 -17.176 0.539 1.00 0.00 N ATOM 770 CA GLY A 50 4.430 -18.392 0.380 1.00 0.00 C ATOM 771 C GLY A 50 4.944 -18.571 -1.034 1.00 0.00 C ATOM 772 O GLY A 50 6.031 -18.111 -1.385 1.00 0.00 O ATOM 0 H GLY A 50 4.064 -16.347 0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.273 -18.374 1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.815 -19.250 0.651 1.00 0.00 H new ATOM 776 N PRO A 51 4.153 -19.256 -1.873 1.00 0.00 N ATOM 777 CA PRO A 51 4.515 -19.512 -3.271 1.00 0.00 C ATOM 778 C PRO A 51 4.483 -18.245 -4.119 1.00 0.00 C ATOM 779 O PRO A 51 3.492 -17.516 -4.126 1.00 0.00 O ATOM 780 CB PRO A 51 3.441 -20.497 -3.740 1.00 0.00 C ATOM 781 CG PRO A 51 2.273 -20.234 -2.854 1.00 0.00 C ATOM 782 CD PRO A 51 2.845 -19.833 -1.523 1.00 0.00 C ATOM 0 HA PRO A 51 5.532 -19.892 -3.366 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.187 -20.337 -4.788 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.783 -21.528 -3.649 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.644 -19.443 -3.262 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.648 -21.122 -2.759 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.209 -19.108 -1.015 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.949 -20.689 -0.856 1.00 0.00 H new ATOM 790 N SER A 52 5.575 -17.989 -4.833 1.00 0.00 N ATOM 791 CA SER A 52 5.673 -16.808 -5.683 1.00 0.00 C ATOM 792 C SER A 52 5.823 -17.204 -7.148 1.00 0.00 C ATOM 793 O SER A 52 6.809 -17.831 -7.535 1.00 0.00 O ATOM 794 CB SER A 52 6.858 -15.941 -5.252 1.00 0.00 C ATOM 795 OG SER A 52 6.790 -15.634 -3.871 1.00 0.00 O ATOM 0 H SER A 52 6.404 -18.583 -4.840 1.00 0.00 H new ATOM 0 HA SER A 52 4.753 -16.234 -5.573 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.791 -16.462 -5.466 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.868 -15.019 -5.833 1.00 0.00 H new ATOM 0 HG SER A 52 7.559 -15.081 -3.621 1.00 0.00 H new ATOM 801 N SER A 53 4.838 -16.832 -7.959 1.00 0.00 N ATOM 802 CA SER A 53 4.857 -17.152 -9.382 1.00 0.00 C ATOM 803 C SER A 53 4.290 -15.999 -10.205 1.00 0.00 C ATOM 804 O SER A 53 3.159 -15.566 -9.990 1.00 0.00 O ATOM 805 CB SER A 53 4.057 -18.428 -9.651 1.00 0.00 C ATOM 806 OG SER A 53 2.666 -18.197 -9.510 1.00 0.00 O ATOM 0 H SER A 53 4.017 -16.309 -7.655 1.00 0.00 H new ATOM 0 HA SER A 53 5.893 -17.313 -9.679 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.269 -18.788 -10.658 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.371 -19.210 -8.960 1.00 0.00 H new ATOM 0 HG SER A 53 2.486 -17.236 -9.572 1.00 0.00 H new ATOM 812 N GLY A 54 5.085 -15.507 -11.150 1.00 0.00 N ATOM 813 CA GLY A 54 4.647 -14.409 -11.991 1.00 0.00 C ATOM 814 C GLY A 54 3.531 -14.812 -12.935 1.00 0.00 C ATOM 815 O GLY A 54 2.378 -14.945 -12.522 1.00 0.00 O ATOM 0 H GLY A 54 6.025 -15.850 -11.348 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.307 -13.586 -11.362 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.493 -14.039 -12.570 1.00 0.00 H new TER 819 GLY A 54