USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 786 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 54 GLN :FLIP amide:sc= -10.8! C(o=-11!,f=-9.6!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 140:sc= 1.19 (180deg=-0.388) USER MOD Set 2.1: A 7 SER OG : rot 120:sc= 0.12 USER MOD Set 2.2: A 38 MET CE :methyl 176:sc= -1.45 (180deg=-1.71) USER MOD Set 3.1: A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 SER OG : rot 180:sc= -0.134 USER MOD Single : A 16 GLN :FLIP amide:sc= -2.1 F(o=-4.7!,f=-2.1) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -2.52! X(o=-2.5!,f=-2.8) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -1.99 F(o=-3.8!,f=-2) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -2.75 F(o=-7.5!,f=-2.7) USER MOD Single : A 32 THR OG1 : rot 77:sc= 0.175 USER MOD Single : A 33 SER OG : rot -78:sc= -6.53! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= -3.55! C(o=-5.6!,f=-3.5!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.22 K(o=-1.2,f=-4.1!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -156:sc= 0.209 (180deg=-0.695) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.292 F(o=-2.2,f=-0.29) USER MOD Single : A 72 SER OG : rot 94:sc= 0.892 USER MOD Single : A 78 THR OG1 : rot -153:sc= 1.46 USER MOD Single : A 80 SER OG : rot 152:sc= 0.928 USER MOD Single : A 82 THR OG1 : rot -53:sc= 0.0381 USER MOD Single : A 83 LYS NZ :NH3+ 163:sc= -0.0819 (180deg=-0.385) USER MOD Single : A 84 SER OG : rot -65:sc= -0.332! USER MOD Single : A 86 MET CE :methyl 167:sc= -2.05 (180deg=-2.52!) USER MOD Single : A 91 ASN :FLIP amide:sc= -3.53 F(o=-6.4!,f=-3.5) USER MOD Single : A 96 LYS NZ :NH3+ 156:sc= -0.0739 (180deg=-0.328) USER MOD Single : A 103 GLN : amide:sc= -7.2! C(o=-7.2!,f=-16!) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.715 -5.244 -10.393 1.00 0.00 N ATOM 2 CA SER A 1 2.221 -4.417 -9.263 1.00 0.00 C ATOM 3 C SER A 1 3.087 -4.614 -8.026 1.00 0.00 C ATOM 4 O SER A 1 2.849 -5.524 -7.232 1.00 0.00 O ATOM 5 CB SER A 1 0.770 -4.778 -8.939 1.00 0.00 C ATOM 6 OG SER A 1 0.291 -4.026 -7.838 1.00 0.00 O ATOM 0 H1 SER A 1 2.109 -5.093 -11.225 1.00 0.00 H new ATOM 0 H2 SER A 1 3.692 -4.971 -10.622 1.00 0.00 H new ATOM 0 H3 SER A 1 2.691 -6.249 -10.125 1.00 0.00 H new ATOM 0 HA SER A 1 2.274 -3.370 -9.562 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.142 -4.592 -9.811 1.00 0.00 H new ATOM 0 HB3 SER A 1 0.698 -5.842 -8.715 1.00 0.00 H new ATOM 0 HG SER A 1 -0.639 -4.274 -7.652 1.00 0.00 H new ATOM 14 N ILE A 2 4.106 -3.765 -7.878 1.00 0.00 N ATOM 15 CA ILE A 2 5.025 -3.824 -6.737 1.00 0.00 C ATOM 16 C ILE A 2 6.186 -4.795 -6.990 1.00 0.00 C ATOM 17 O ILE A 2 7.311 -4.561 -6.547 1.00 0.00 O ATOM 18 CB ILE A 2 4.264 -4.157 -5.409 1.00 0.00 C ATOM 19 CG1 ILE A 2 4.559 -3.068 -4.382 1.00 0.00 C ATOM 20 CG2 ILE A 2 4.590 -5.542 -4.831 1.00 0.00 C ATOM 21 CD1 ILE A 2 3.978 -3.332 -3.020 1.00 0.00 C ATOM 0 H ILE A 2 4.318 -3.020 -8.542 1.00 0.00 H new ATOM 0 HA ILE A 2 5.463 -2.833 -6.620 1.00 0.00 H new ATOM 0 HB ILE A 2 3.201 -4.186 -5.649 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.639 -2.955 -4.288 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.171 -2.119 -4.753 1.00 0.00 H new ATOM 0 HG21 ILE A 2 4.023 -5.696 -3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 2 4.322 -6.311 -5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 2 5.656 -5.604 -4.614 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.233 -2.511 -2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.894 -3.414 -3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.385 -4.263 -2.625 1.00 0.00 H new ATOM 33 N THR A 3 5.900 -5.879 -7.701 1.00 0.00 N ATOM 34 CA THR A 3 6.903 -6.888 -8.007 1.00 0.00 C ATOM 35 C THR A 3 8.014 -6.358 -8.913 1.00 0.00 C ATOM 36 O THR A 3 8.986 -7.070 -9.172 1.00 0.00 O ATOM 37 CB THR A 3 6.264 -8.119 -8.672 1.00 0.00 C ATOM 38 OG1 THR A 3 5.630 -7.741 -9.899 1.00 0.00 O ATOM 39 CG2 THR A 3 5.245 -8.759 -7.743 1.00 0.00 C ATOM 0 H THR A 3 4.974 -6.081 -8.078 1.00 0.00 H new ATOM 0 HA THR A 3 7.346 -7.169 -7.052 1.00 0.00 H new ATOM 0 HB THR A 3 7.050 -8.844 -8.882 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.227 -8.531 -10.316 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.804 -9.628 -8.231 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.738 -9.071 -6.822 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.462 -8.037 -7.509 1.00 0.00 H new ATOM 47 N ASP A 4 7.888 -5.119 -9.403 1.00 0.00 N ATOM 48 CA ASP A 4 8.931 -4.534 -10.252 1.00 0.00 C ATOM 49 C ASP A 4 10.297 -4.779 -9.617 1.00 0.00 C ATOM 50 O ASP A 4 11.198 -5.342 -10.240 1.00 0.00 O ATOM 51 CB ASP A 4 8.688 -3.034 -10.437 1.00 0.00 C ATOM 52 CG ASP A 4 9.575 -2.431 -11.510 1.00 0.00 C ATOM 53 OD1 ASP A 4 9.240 -2.572 -12.705 1.00 0.00 O ATOM 54 OD2 ASP A 4 10.603 -1.818 -11.156 1.00 0.00 O ATOM 0 H ASP A 4 7.088 -4.511 -9.230 1.00 0.00 H new ATOM 0 HA ASP A 4 8.903 -5.006 -11.234 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.643 -2.868 -10.698 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.866 -2.521 -9.492 1.00 0.00 H new ATOM 59 N ILE A 5 10.434 -4.347 -8.367 1.00 0.00 N ATOM 60 CA ILE A 5 11.655 -4.570 -7.609 1.00 0.00 C ATOM 61 C ILE A 5 11.287 -4.881 -6.166 1.00 0.00 C ATOM 62 O ILE A 5 11.073 -3.980 -5.367 1.00 0.00 O ATOM 63 CB ILE A 5 12.576 -3.336 -7.625 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.536 -2.641 -8.987 1.00 0.00 C ATOM 65 CG2 ILE A 5 14.000 -3.740 -7.275 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.995 -1.201 -8.933 1.00 0.00 C ATOM 0 H ILE A 5 9.710 -3.839 -7.858 1.00 0.00 H new ATOM 0 HA ILE A 5 12.190 -5.400 -8.070 1.00 0.00 H new ATOM 0 HB ILE A 5 12.217 -2.630 -6.876 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.165 -3.190 -9.687 1.00 0.00 H new ATOM 0 HG13 ILE A 5 11.519 -2.677 -9.377 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.642 -2.859 -7.289 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.018 -4.186 -6.280 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.362 -4.465 -8.004 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.943 -0.765 -9.931 1.00 0.00 H new ATOM 0 HD12 ILE A 5 12.351 -0.639 -8.257 1.00 0.00 H new ATOM 0 HD13 ILE A 5 14.023 -1.160 -8.572 1.00 0.00 H new ATOM 78 N LEU A 6 11.248 -6.166 -5.854 1.00 0.00 N ATOM 79 CA LEU A 6 10.888 -6.619 -4.513 1.00 0.00 C ATOM 80 C LEU A 6 11.175 -8.100 -4.311 1.00 0.00 C ATOM 81 O LEU A 6 11.432 -8.829 -5.268 1.00 0.00 O ATOM 82 CB LEU A 6 9.409 -6.334 -4.266 1.00 0.00 C ATOM 83 CG LEU A 6 9.065 -5.769 -2.896 1.00 0.00 C ATOM 84 CD1 LEU A 6 9.449 -4.304 -2.812 1.00 0.00 C ATOM 85 CD2 LEU A 6 7.586 -5.935 -2.624 1.00 0.00 C ATOM 0 H LEU A 6 11.461 -6.918 -6.510 1.00 0.00 H new ATOM 0 HA LEU A 6 11.501 -6.072 -3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.061 -5.633 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.851 -7.260 -4.407 1.00 0.00 H new ATOM 0 HG LEU A 6 9.629 -6.318 -2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.195 -3.917 -1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.521 -4.199 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.907 -3.742 -3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.349 -5.528 -1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.014 -5.403 -3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.328 -6.994 -2.650 1.00 0.00 H new ATOM 97 N SER A 7 11.130 -8.538 -3.054 1.00 0.00 N ATOM 98 CA SER A 7 11.368 -9.941 -2.725 1.00 0.00 C ATOM 99 C SER A 7 10.120 -10.775 -2.969 1.00 0.00 C ATOM 100 O SER A 7 9.561 -11.371 -2.052 1.00 0.00 O ATOM 101 CB SER A 7 11.796 -10.106 -1.279 1.00 0.00 C ATOM 102 OG SER A 7 12.930 -9.311 -0.979 1.00 0.00 O ATOM 0 H SER A 7 10.932 -7.943 -2.249 1.00 0.00 H new ATOM 0 HA SER A 7 12.171 -10.288 -3.375 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.972 -9.830 -0.621 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.023 -11.154 -1.083 1.00 0.00 H new ATOM 0 HG SER A 7 12.705 -8.675 -0.268 1.00 0.00 H new ATOM 108 N ALA A 8 9.713 -10.826 -4.222 1.00 0.00 N ATOM 109 CA ALA A 8 8.520 -11.578 -4.611 1.00 0.00 C ATOM 110 C ALA A 8 8.397 -12.921 -3.882 1.00 0.00 C ATOM 111 O ALA A 8 7.292 -13.441 -3.731 1.00 0.00 O ATOM 112 CB ALA A 8 8.540 -11.820 -6.109 1.00 0.00 C ATOM 0 H ALA A 8 10.187 -10.357 -4.994 1.00 0.00 H new ATOM 0 HA ALA A 8 7.656 -10.976 -4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.651 -12.380 -6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.553 -10.864 -6.632 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.431 -12.390 -6.374 1.00 0.00 H new ATOM 118 N GLU A 9 9.513 -13.486 -3.433 1.00 0.00 N ATOM 119 CA GLU A 9 9.467 -14.736 -2.685 1.00 0.00 C ATOM 120 C GLU A 9 8.756 -14.507 -1.348 1.00 0.00 C ATOM 121 O GLU A 9 7.857 -15.255 -0.963 1.00 0.00 O ATOM 122 CB GLU A 9 10.884 -15.256 -2.455 1.00 0.00 C ATOM 123 CG GLU A 9 11.604 -15.593 -3.742 1.00 0.00 C ATOM 124 CD GLU A 9 10.992 -16.777 -4.465 1.00 0.00 C ATOM 125 OE1 GLU A 9 11.384 -17.925 -4.163 1.00 0.00 O ATOM 126 OE2 GLU A 9 10.123 -16.557 -5.334 1.00 0.00 O ATOM 0 H GLU A 9 10.449 -13.104 -3.572 1.00 0.00 H new ATOM 0 HA GLU A 9 8.913 -15.481 -3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.457 -14.506 -1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.842 -16.144 -1.825 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.589 -14.724 -4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.650 -15.808 -3.522 1.00 0.00 H new ATOM 133 N ASP A 10 9.185 -13.453 -0.655 1.00 0.00 N ATOM 134 CA ASP A 10 8.626 -13.040 0.628 1.00 0.00 C ATOM 135 C ASP A 10 7.294 -12.329 0.437 1.00 0.00 C ATOM 136 O ASP A 10 6.556 -12.116 1.392 1.00 0.00 O ATOM 137 CB ASP A 10 9.611 -12.108 1.340 1.00 0.00 C ATOM 138 CG ASP A 10 10.731 -12.865 2.027 1.00 0.00 C ATOM 139 OD1 ASP A 10 11.749 -13.151 1.363 1.00 0.00 O ATOM 140 OD2 ASP A 10 10.590 -13.171 3.230 1.00 0.00 O ATOM 0 H ASP A 10 9.944 -12.853 -0.977 1.00 0.00 H new ATOM 0 HA ASP A 10 8.456 -13.930 1.234 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.037 -11.413 0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.074 -11.511 2.077 1.00 0.00 H new ATOM 145 N ILE A 11 6.980 -12.004 -0.809 1.00 0.00 N ATOM 146 CA ILE A 11 5.766 -11.284 -1.127 1.00 0.00 C ATOM 147 C ILE A 11 4.566 -12.188 -0.922 1.00 0.00 C ATOM 148 O ILE A 11 3.554 -11.773 -0.366 1.00 0.00 O ATOM 149 CB ILE A 11 5.819 -10.755 -2.577 1.00 0.00 C ATOM 150 CG1 ILE A 11 6.622 -9.464 -2.602 1.00 0.00 C ATOM 151 CG2 ILE A 11 4.432 -10.523 -3.179 1.00 0.00 C ATOM 152 CD1 ILE A 11 5.936 -8.337 -1.880 1.00 0.00 C ATOM 0 H ILE A 11 7.557 -12.232 -1.618 1.00 0.00 H new ATOM 0 HA ILE A 11 5.672 -10.427 -0.461 1.00 0.00 H new ATOM 0 HB ILE A 11 6.298 -11.518 -3.190 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.598 -9.639 -2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.799 -9.172 -3.637 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.535 -10.152 -4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.878 -11.462 -3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.893 -9.790 -2.579 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.556 -7.442 -1.931 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.972 -8.138 -2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.783 -8.613 -0.837 1.00 0.00 H new ATOM 164 N ALA A 12 4.682 -13.429 -1.374 1.00 0.00 N ATOM 165 CA ALA A 12 3.598 -14.366 -1.209 1.00 0.00 C ATOM 166 C ALA A 12 3.308 -14.526 0.260 1.00 0.00 C ATOM 167 O ALA A 12 2.164 -14.416 0.684 1.00 0.00 O ATOM 168 CB ALA A 12 3.946 -15.709 -1.810 1.00 0.00 C ATOM 0 H ALA A 12 5.505 -13.799 -1.849 1.00 0.00 H new ATOM 0 HA ALA A 12 2.719 -13.982 -1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.112 -16.397 -1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.146 -15.590 -2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.832 -16.110 -1.317 1.00 0.00 H new ATOM 174 N ALA A 13 4.349 -14.791 1.044 1.00 0.00 N ATOM 175 CA ALA A 13 4.163 -14.931 2.477 1.00 0.00 C ATOM 176 C ALA A 13 3.748 -13.598 3.074 1.00 0.00 C ATOM 177 O ALA A 13 2.746 -13.496 3.770 1.00 0.00 O ATOM 178 CB ALA A 13 5.433 -15.435 3.137 1.00 0.00 C ATOM 0 H ALA A 13 5.308 -14.910 0.717 1.00 0.00 H new ATOM 0 HA ALA A 13 3.375 -15.662 2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.271 -15.533 4.210 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.699 -16.407 2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.243 -14.728 2.955 1.00 0.00 H new ATOM 184 N ALA A 14 4.550 -12.577 2.799 1.00 0.00 N ATOM 185 CA ALA A 14 4.253 -11.234 3.279 1.00 0.00 C ATOM 186 C ALA A 14 2.808 -10.865 2.961 1.00 0.00 C ATOM 187 O ALA A 14 2.121 -10.248 3.775 1.00 0.00 O ATOM 188 CB ALA A 14 5.211 -10.215 2.670 1.00 0.00 C ATOM 0 H ALA A 14 5.406 -12.652 2.249 1.00 0.00 H new ATOM 0 HA ALA A 14 4.387 -11.220 4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.969 -9.220 3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.235 -10.468 2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.115 -10.228 1.584 1.00 0.00 H new ATOM 194 N LEU A 15 2.351 -11.249 1.773 1.00 0.00 N ATOM 195 CA LEU A 15 0.982 -10.980 1.366 1.00 0.00 C ATOM 196 C LEU A 15 0.034 -11.945 2.058 1.00 0.00 C ATOM 197 O LEU A 15 -0.820 -11.545 2.839 1.00 0.00 O ATOM 198 CB LEU A 15 0.824 -11.116 -0.158 1.00 0.00 C ATOM 199 CG LEU A 15 -0.416 -10.441 -0.775 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.718 -11.038 -2.140 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.628 -10.548 0.140 1.00 0.00 C ATOM 0 H LEU A 15 2.909 -11.746 1.079 1.00 0.00 H new ATOM 0 HA LEU A 15 0.740 -9.957 1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.713 -10.701 -0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.796 -12.177 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.193 -9.381 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.597 -10.551 -2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.135 -10.885 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.910 -12.106 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.482 -10.060 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.860 -11.599 0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.410 -10.062 1.091 1.00 0.00 H new ATOM 213 N GLN A 16 0.233 -13.230 1.785 1.00 0.00 N ATOM 214 CA GLN A 16 -0.617 -14.297 2.294 1.00 0.00 C ATOM 215 C GLN A 16 -0.510 -14.523 3.797 1.00 0.00 C ATOM 216 O GLN A 16 -1.252 -15.333 4.353 1.00 0.00 O ATOM 217 CB GLN A 16 -0.236 -15.587 1.590 1.00 0.00 C ATOM 218 CG GLN A 16 -0.522 -15.562 0.110 1.00 0.00 C ATOM 219 CD GLN A 16 -1.846 -14.914 -0.246 1.00 0.00 C ATOM 220 OE1 GLN A 16 -1.811 -13.613 -0.491 1.00 0.00 O flip ATOM 221 NE2 GLN A 16 -2.883 -15.575 -0.301 1.00 0.00 N flip ATOM 0 H GLN A 16 0.998 -13.562 1.198 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.646 -13.995 2.097 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.826 -15.778 1.745 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.779 -16.416 2.045 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.281 -15.028 -0.397 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.514 -16.584 -0.270 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.861 -16.576 -0.104 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.764 -15.122 -0.544 1.00 0.00 H new ATOM 230 N GLU A 17 0.393 -13.822 4.461 1.00 0.00 N ATOM 231 CA GLU A 17 0.604 -14.060 5.879 1.00 0.00 C ATOM 232 C GLU A 17 -0.580 -13.641 6.736 1.00 0.00 C ATOM 233 O GLU A 17 -1.334 -14.485 7.223 1.00 0.00 O ATOM 234 CB GLU A 17 1.874 -13.312 6.331 1.00 0.00 C ATOM 235 CG GLU A 17 1.983 -13.078 7.830 1.00 0.00 C ATOM 236 CD GLU A 17 3.322 -12.492 8.235 1.00 0.00 C ATOM 237 OE1 GLU A 17 4.254 -13.274 8.512 1.00 0.00 O ATOM 238 OE2 GLU A 17 3.437 -11.248 8.276 1.00 0.00 O ATOM 0 H GLU A 17 0.982 -13.097 4.051 1.00 0.00 H new ATOM 0 HA GLU A 17 0.720 -15.135 6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.746 -13.877 6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.909 -12.348 5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.186 -12.406 8.148 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.831 -14.022 8.353 1.00 0.00 H new ATOM 245 N CYS A 18 -0.743 -12.348 6.918 1.00 0.00 N ATOM 246 CA CYS A 18 -1.806 -11.804 7.739 1.00 0.00 C ATOM 247 C CYS A 18 -2.921 -11.147 6.939 1.00 0.00 C ATOM 248 O CYS A 18 -3.826 -10.585 7.538 1.00 0.00 O ATOM 249 CB CYS A 18 -1.225 -10.797 8.719 1.00 0.00 C ATOM 250 SG CYS A 18 -0.694 -11.515 10.292 1.00 0.00 S ATOM 0 H CYS A 18 -0.140 -11.640 6.499 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.255 -12.647 8.264 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.373 -10.302 8.252 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.971 -10.027 8.917 1.00 0.00 H new ATOM 0 HG CYS A 18 -0.213 -10.579 11.056 1.00 0.00 H new ATOM 256 N GLN A 19 -2.885 -11.215 5.608 1.00 0.00 N ATOM 257 CA GLN A 19 -3.863 -10.473 4.804 1.00 0.00 C ATOM 258 C GLN A 19 -5.281 -10.576 5.361 1.00 0.00 C ATOM 259 O GLN A 19 -5.714 -11.627 5.831 1.00 0.00 O ATOM 260 CB GLN A 19 -3.871 -10.980 3.364 1.00 0.00 C ATOM 261 CG GLN A 19 -4.634 -10.077 2.411 1.00 0.00 C ATOM 262 CD GLN A 19 -4.654 -10.607 0.990 1.00 0.00 C ATOM 263 OE1 GLN A 19 -4.629 -11.818 0.767 1.00 0.00 O ATOM 264 NE2 GLN A 19 -4.693 -9.700 0.020 1.00 0.00 N ATOM 0 H GLN A 19 -2.209 -11.760 5.073 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.554 -9.428 4.839 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.843 -11.078 3.015 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.312 -11.977 3.340 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.658 -9.964 2.766 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.183 -9.085 2.418 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.713 -8.707 0.251 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.703 -9.997 -0.956 1.00 0.00 H new ATOM 273 N ASP A 20 -5.984 -9.447 5.279 1.00 0.00 N ATOM 274 CA ASP A 20 -7.349 -9.329 5.777 1.00 0.00 C ATOM 275 C ASP A 20 -7.819 -7.881 5.695 1.00 0.00 C ATOM 276 O ASP A 20 -7.021 -6.975 5.452 1.00 0.00 O ATOM 277 CB ASP A 20 -7.446 -9.825 7.221 1.00 0.00 C ATOM 278 CG ASP A 20 -7.897 -11.271 7.313 1.00 0.00 C ATOM 279 OD1 ASP A 20 -9.052 -11.558 6.936 1.00 0.00 O ATOM 280 OD2 ASP A 20 -7.094 -12.117 7.761 1.00 0.00 O ATOM 0 H ASP A 20 -5.620 -8.589 4.864 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.992 -9.949 5.152 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.474 -9.720 7.703 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.145 -9.195 7.771 1.00 0.00 H new ATOM 285 N PRO A 21 -9.122 -7.642 5.897 1.00 0.00 N ATOM 286 CA PRO A 21 -9.697 -6.307 5.853 1.00 0.00 C ATOM 287 C PRO A 21 -9.664 -5.588 7.199 1.00 0.00 C ATOM 288 O PRO A 21 -10.694 -5.104 7.662 1.00 0.00 O ATOM 289 CB PRO A 21 -11.132 -6.610 5.460 1.00 0.00 C ATOM 290 CG PRO A 21 -11.436 -7.877 6.167 1.00 0.00 C ATOM 291 CD PRO A 21 -10.158 -8.663 6.148 1.00 0.00 C ATOM 0 HA PRO A 21 -9.154 -5.642 5.181 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.807 -5.810 5.765 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.236 -6.720 4.381 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.765 -7.687 7.189 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.239 -8.421 5.670 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.991 -9.179 7.094 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.168 -9.424 5.368 1.00 0.00 H new ATOM 299 N ASP A 22 -8.480 -5.504 7.822 1.00 0.00 N ATOM 300 CA ASP A 22 -8.356 -4.836 9.130 1.00 0.00 C ATOM 301 C ASP A 22 -6.978 -5.020 9.802 1.00 0.00 C ATOM 302 O ASP A 22 -6.659 -4.290 10.740 1.00 0.00 O ATOM 303 CB ASP A 22 -9.459 -5.341 10.078 1.00 0.00 C ATOM 304 CG ASP A 22 -9.249 -4.954 11.535 1.00 0.00 C ATOM 305 OD1 ASP A 22 -8.268 -5.433 12.142 1.00 0.00 O ATOM 306 OD2 ASP A 22 -10.067 -4.176 12.067 1.00 0.00 O ATOM 0 H ASP A 22 -7.608 -5.882 7.452 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.465 -3.769 8.936 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.419 -4.948 9.743 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.516 -6.427 10.006 1.00 0.00 H new ATOM 311 N THR A 23 -6.154 -5.964 9.342 1.00 0.00 N ATOM 312 CA THR A 23 -4.863 -6.200 9.998 1.00 0.00 C ATOM 313 C THR A 23 -3.660 -5.535 9.326 1.00 0.00 C ATOM 314 O THR A 23 -2.804 -5.015 10.033 1.00 0.00 O ATOM 315 CB THR A 23 -4.570 -7.701 10.127 1.00 0.00 C ATOM 316 OG1 THR A 23 -3.323 -7.902 10.804 1.00 0.00 O ATOM 317 CG2 THR A 23 -4.518 -8.354 8.763 1.00 0.00 C ATOM 0 H THR A 23 -6.348 -6.564 8.540 1.00 0.00 H new ATOM 0 HA THR A 23 -4.982 -5.734 10.976 1.00 0.00 H new ATOM 0 HB THR A 23 -5.373 -8.158 10.705 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.145 -8.862 10.883 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.309 -9.418 8.877 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.477 -8.224 8.261 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.731 -7.891 8.168 1.00 0.00 H new ATOM 325 N PHE A 24 -3.606 -5.526 7.980 1.00 0.00 N ATOM 326 CA PHE A 24 -2.461 -4.946 7.226 1.00 0.00 C ATOM 327 C PHE A 24 -2.202 -5.695 5.919 1.00 0.00 C ATOM 328 O PHE A 24 -1.256 -6.479 5.831 1.00 0.00 O ATOM 329 CB PHE A 24 -1.150 -4.959 8.036 1.00 0.00 C ATOM 330 CG PHE A 24 -0.882 -3.682 8.786 1.00 0.00 C ATOM 331 CD1 PHE A 24 -1.022 -2.458 8.158 1.00 0.00 C ATOM 332 CD2 PHE A 24 -0.493 -3.708 10.116 1.00 0.00 C ATOM 333 CE1 PHE A 24 -0.781 -1.282 8.841 1.00 0.00 C ATOM 334 CE2 PHE A 24 -0.250 -2.536 10.805 1.00 0.00 C ATOM 335 CZ PHE A 24 -0.395 -1.321 10.167 1.00 0.00 C ATOM 0 H PHE A 24 -4.339 -5.913 7.386 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.752 -3.916 7.021 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.182 -5.786 8.746 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.318 -5.152 7.359 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.323 -2.421 7.122 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.378 -4.656 10.620 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.894 -0.333 8.339 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.053 -2.570 11.841 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.207 -0.402 10.703 1.00 0.00 H new ATOM 345 N GLU A 25 -3.030 -5.463 4.907 1.00 0.00 N ATOM 346 CA GLU A 25 -2.847 -6.123 3.624 1.00 0.00 C ATOM 347 C GLU A 25 -1.700 -5.511 2.804 1.00 0.00 C ATOM 348 O GLU A 25 -0.917 -6.243 2.198 1.00 0.00 O ATOM 349 CB GLU A 25 -4.154 -6.059 2.832 1.00 0.00 C ATOM 350 CG GLU A 25 -4.012 -6.511 1.397 1.00 0.00 C ATOM 351 CD GLU A 25 -5.311 -6.424 0.619 1.00 0.00 C ATOM 352 OE1 GLU A 25 -5.624 -5.329 0.105 1.00 0.00 O ATOM 353 OE2 GLU A 25 -6.015 -7.451 0.521 1.00 0.00 O ATOM 0 H GLU A 25 -3.827 -4.828 4.951 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.575 -7.160 3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.901 -6.679 3.328 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.529 -5.036 2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.257 -5.901 0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.652 -7.540 1.379 1.00 0.00 H new ATOM 360 N PRO A 26 -1.579 -4.173 2.768 1.00 0.00 N ATOM 361 CA PRO A 26 -0.553 -3.492 1.991 1.00 0.00 C ATOM 362 C PRO A 26 0.735 -3.161 2.753 1.00 0.00 C ATOM 363 O PRO A 26 1.822 -3.592 2.373 1.00 0.00 O ATOM 364 CB PRO A 26 -1.254 -2.208 1.579 1.00 0.00 C ATOM 365 CG PRO A 26 -2.319 -1.976 2.593 1.00 0.00 C ATOM 366 CD PRO A 26 -2.435 -3.210 3.451 1.00 0.00 C ATOM 0 HA PRO A 26 -0.204 -4.127 1.177 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.554 -1.373 1.551 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.680 -2.300 0.580 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.076 -1.109 3.207 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -3.269 -1.764 2.103 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.098 -3.024 4.471 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.465 -3.561 3.514 1.00 0.00 H new ATOM 374 N GLN A 27 0.606 -2.383 3.820 1.00 0.00 N ATOM 375 CA GLN A 27 1.739 -1.951 4.616 1.00 0.00 C ATOM 376 C GLN A 27 2.657 -3.092 5.043 1.00 0.00 C ATOM 377 O GLN A 27 3.877 -3.009 4.898 1.00 0.00 O ATOM 378 CB GLN A 27 1.209 -1.265 5.857 1.00 0.00 C ATOM 379 CG GLN A 27 2.073 -0.122 6.320 1.00 0.00 C ATOM 380 CD GLN A 27 1.778 0.284 7.747 1.00 0.00 C ATOM 381 OE1 GLN A 27 0.771 1.132 7.918 1.00 0.00 O flip ATOM 382 NE2 GLN A 27 2.434 -0.168 8.684 1.00 0.00 N flip ATOM 0 H GLN A 27 -0.292 -2.035 4.156 1.00 0.00 H new ATOM 0 HA GLN A 27 2.336 -1.283 3.995 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.204 -0.894 5.657 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.125 -1.997 6.661 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.122 -0.406 6.236 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.921 0.734 5.663 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.200 -0.818 8.504 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.212 0.107 9.641 1.00 0.00 H new ATOM 391 N LYS A 28 2.066 -4.151 5.565 1.00 0.00 N ATOM 392 CA LYS A 28 2.844 -5.286 6.041 1.00 0.00 C ATOM 393 C LYS A 28 3.447 -6.017 4.864 1.00 0.00 C ATOM 394 O LYS A 28 4.592 -6.466 4.897 1.00 0.00 O ATOM 395 CB LYS A 28 1.971 -6.237 6.848 1.00 0.00 C ATOM 396 CG LYS A 28 2.726 -7.456 7.338 1.00 0.00 C ATOM 397 CD LYS A 28 2.050 -8.092 8.542 1.00 0.00 C ATOM 398 CE LYS A 28 2.112 -7.185 9.761 1.00 0.00 C ATOM 399 NZ LYS A 28 1.547 -7.844 10.971 1.00 0.00 N ATOM 0 H LYS A 28 1.057 -4.252 5.671 1.00 0.00 H new ATOM 0 HA LYS A 28 3.640 -4.917 6.688 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.556 -5.704 7.704 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.129 -6.559 6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.798 -8.187 6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.745 -7.171 7.601 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.009 -8.311 8.303 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.531 -9.043 8.770 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.147 -6.902 9.951 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.563 -6.266 9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.607 -7.194 11.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.552 -8.091 10.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.087 -8.708 11.180 1.00 0.00 H new ATOM 413 N PHE A 29 2.647 -6.125 3.826 1.00 0.00 N ATOM 414 CA PHE A 29 3.053 -6.782 2.601 1.00 0.00 C ATOM 415 C PHE A 29 4.364 -6.190 2.086 1.00 0.00 C ATOM 416 O PHE A 29 5.283 -6.916 1.706 1.00 0.00 O ATOM 417 CB PHE A 29 1.936 -6.612 1.575 1.00 0.00 C ATOM 418 CG PHE A 29 2.309 -6.994 0.180 1.00 0.00 C ATOM 419 CD1 PHE A 29 3.155 -6.203 -0.569 1.00 0.00 C ATOM 420 CD2 PHE A 29 1.796 -8.140 -0.382 1.00 0.00 C ATOM 421 CE1 PHE A 29 3.485 -6.552 -1.862 1.00 0.00 C ATOM 422 CE2 PHE A 29 2.118 -8.502 -1.673 1.00 0.00 C ATOM 423 CZ PHE A 29 2.964 -7.705 -2.417 1.00 0.00 C ATOM 0 H PHE A 29 1.695 -5.759 3.807 1.00 0.00 H new ATOM 0 HA PHE A 29 3.225 -7.843 2.783 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.081 -7.212 1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.613 -5.571 1.578 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.563 -5.301 -0.138 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.132 -8.765 0.196 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.149 -5.926 -2.439 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.710 -9.406 -2.100 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.218 -7.982 -3.430 1.00 0.00 H new ATOM 433 N PHE A 30 4.431 -4.865 2.082 1.00 0.00 N ATOM 434 CA PHE A 30 5.612 -4.148 1.619 1.00 0.00 C ATOM 435 C PHE A 30 6.791 -4.423 2.522 1.00 0.00 C ATOM 436 O PHE A 30 7.836 -4.904 2.094 1.00 0.00 O ATOM 437 CB PHE A 30 5.345 -2.642 1.610 1.00 0.00 C ATOM 438 CG PHE A 30 4.013 -2.280 1.037 1.00 0.00 C ATOM 439 CD1 PHE A 30 3.578 -2.877 -0.125 1.00 0.00 C ATOM 440 CD2 PHE A 30 3.198 -1.348 1.659 1.00 0.00 C ATOM 441 CE1 PHE A 30 2.349 -2.559 -0.666 1.00 0.00 C ATOM 442 CE2 PHE A 30 1.967 -1.021 1.124 1.00 0.00 C ATOM 443 CZ PHE A 30 1.541 -1.629 -0.041 1.00 0.00 C ATOM 0 H PHE A 30 3.673 -4.260 2.398 1.00 0.00 H new ATOM 0 HA PHE A 30 5.839 -4.492 0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.409 -2.263 2.630 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.127 -2.145 1.036 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.206 -3.603 -0.619 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.528 -0.873 2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.019 -3.037 -1.577 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.339 -0.292 1.615 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.579 -1.378 -0.462 1.00 0.00 H new ATOM 453 N GLN A 31 6.576 -4.139 3.790 1.00 0.00 N ATOM 454 CA GLN A 31 7.603 -4.276 4.803 1.00 0.00 C ATOM 455 C GLN A 31 8.187 -5.673 4.876 1.00 0.00 C ATOM 456 O GLN A 31 9.377 -5.865 4.627 1.00 0.00 O ATOM 457 CB GLN A 31 7.038 -3.896 6.166 1.00 0.00 C ATOM 458 CG GLN A 31 8.086 -3.362 7.127 1.00 0.00 C ATOM 459 CD GLN A 31 8.931 -2.272 6.495 1.00 0.00 C ATOM 460 OE1 GLN A 31 9.975 -2.682 5.784 1.00 0.00 O flip ATOM 461 NE2 GLN A 31 8.641 -1.083 6.629 1.00 0.00 N flip ATOM 0 H GLN A 31 5.681 -3.806 4.149 1.00 0.00 H new ATOM 0 HA GLN A 31 8.412 -3.603 4.519 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.262 -3.143 6.032 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.561 -4.770 6.610 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.595 -2.970 8.018 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.731 -4.179 7.451 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.829 -0.816 7.185 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.213 -0.365 6.184 1.00 0.00 H new ATOM 470 N THR A 32 7.363 -6.647 5.215 1.00 0.00 N ATOM 471 CA THR A 32 7.831 -8.015 5.349 1.00 0.00 C ATOM 472 C THR A 32 8.742 -8.428 4.196 1.00 0.00 C ATOM 473 O THR A 32 9.913 -8.748 4.404 1.00 0.00 O ATOM 474 CB THR A 32 6.650 -9.001 5.439 1.00 0.00 C ATOM 475 OG1 THR A 32 5.827 -8.675 6.565 1.00 0.00 O ATOM 476 CG2 THR A 32 7.144 -10.436 5.568 1.00 0.00 C ATOM 0 H THR A 32 6.369 -6.518 5.402 1.00 0.00 H new ATOM 0 HA THR A 32 8.407 -8.052 6.274 1.00 0.00 H new ATOM 0 HB THR A 32 6.067 -8.917 4.522 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.269 -7.899 6.349 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.290 -11.111 5.630 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.747 -10.693 4.697 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.749 -10.533 6.470 1.00 0.00 H new ATOM 484 N SER A 33 8.201 -8.420 2.988 1.00 0.00 N ATOM 485 CA SER A 33 8.955 -8.842 1.821 1.00 0.00 C ATOM 486 C SER A 33 9.848 -7.767 1.199 1.00 0.00 C ATOM 487 O SER A 33 11.045 -7.991 1.016 1.00 0.00 O ATOM 488 CB SER A 33 8.006 -9.407 0.774 1.00 0.00 C ATOM 489 OG SER A 33 8.718 -9.983 -0.299 1.00 0.00 O ATOM 0 H SER A 33 7.244 -8.126 2.791 1.00 0.00 H new ATOM 0 HA SER A 33 9.643 -9.608 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.361 -10.157 1.231 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.358 -8.614 0.400 1.00 0.00 H new ATOM 0 HG SER A 33 9.046 -9.275 -0.892 1.00 0.00 H new ATOM 495 N GLY A 34 9.286 -6.603 0.873 1.00 0.00 N ATOM 496 CA GLY A 34 10.072 -5.620 0.162 1.00 0.00 C ATOM 497 C GLY A 34 10.699 -4.475 0.941 1.00 0.00 C ATOM 498 O GLY A 34 11.913 -4.422 1.102 1.00 0.00 O ATOM 0 H GLY A 34 8.325 -6.332 1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.876 -6.149 -0.350 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.436 -5.184 -0.608 1.00 0.00 H new ATOM 502 N LEU A 35 9.863 -3.593 1.464 1.00 0.00 N ATOM 503 CA LEU A 35 10.312 -2.378 2.120 1.00 0.00 C ATOM 504 C LEU A 35 11.426 -2.608 3.142 1.00 0.00 C ATOM 505 O LEU A 35 12.294 -1.752 3.313 1.00 0.00 O ATOM 506 CB LEU A 35 9.098 -1.697 2.759 1.00 0.00 C ATOM 507 CG LEU A 35 8.369 -0.671 1.878 1.00 0.00 C ATOM 508 CD1 LEU A 35 7.414 0.168 2.712 1.00 0.00 C ATOM 509 CD2 LEU A 35 9.357 0.217 1.143 1.00 0.00 C ATOM 0 H LEU A 35 8.849 -3.701 1.445 1.00 0.00 H new ATOM 0 HA LEU A 35 10.757 -1.731 1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.385 -2.468 3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.423 -1.198 3.672 1.00 0.00 H new ATOM 0 HG LEU A 35 7.789 -1.218 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.907 0.889 2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.675 -0.481 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.974 0.699 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.814 0.934 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.972 0.753 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.995 -0.397 0.508 1.00 0.00 H new ATOM 521 N SER A 36 11.389 -3.750 3.820 1.00 0.00 N ATOM 522 CA SER A 36 12.399 -4.099 4.832 1.00 0.00 C ATOM 523 C SER A 36 13.795 -3.519 4.554 1.00 0.00 C ATOM 524 O SER A 36 14.397 -2.925 5.448 1.00 0.00 O ATOM 525 CB SER A 36 12.499 -5.620 4.957 1.00 0.00 C ATOM 526 OG SER A 36 12.841 -6.213 3.716 1.00 0.00 O ATOM 0 H SER A 36 10.668 -4.459 3.691 1.00 0.00 H new ATOM 0 HA SER A 36 12.058 -3.649 5.764 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.248 -5.878 5.705 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.548 -6.023 5.306 1.00 0.00 H new ATOM 0 HG SER A 36 12.900 -7.185 3.823 1.00 0.00 H new ATOM 532 N LYS A 37 14.318 -3.677 3.341 1.00 0.00 N ATOM 533 CA LYS A 37 15.654 -3.156 3.036 1.00 0.00 C ATOM 534 C LYS A 37 15.804 -2.729 1.576 1.00 0.00 C ATOM 535 O LYS A 37 16.676 -3.233 0.868 1.00 0.00 O ATOM 536 CB LYS A 37 16.691 -4.224 3.345 1.00 0.00 C ATOM 537 CG LYS A 37 16.369 -5.040 4.576 1.00 0.00 C ATOM 538 CD LYS A 37 17.264 -6.251 4.673 1.00 0.00 C ATOM 539 CE LYS A 37 16.913 -7.292 3.623 1.00 0.00 C ATOM 540 NZ LYS A 37 17.835 -8.461 3.667 1.00 0.00 N ATOM 0 H LYS A 37 13.852 -4.150 2.567 1.00 0.00 H new ATOM 0 HA LYS A 37 15.803 -2.271 3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.779 -4.893 2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.662 -3.748 3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.488 -4.423 5.467 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.326 -5.356 4.544 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.303 -5.947 4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.175 -6.691 5.666 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.889 -7.632 3.777 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.952 -6.836 2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.561 -9.147 2.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.809 -8.141 3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.779 -8.912 4.602 1.00 0.00 H new ATOM 554 N MET A 38 14.965 -1.808 1.117 1.00 0.00 N ATOM 555 CA MET A 38 15.038 -1.352 -0.260 1.00 0.00 C ATOM 556 C MET A 38 15.315 0.144 -0.398 1.00 0.00 C ATOM 557 O MET A 38 15.074 0.929 0.519 1.00 0.00 O ATOM 558 CB MET A 38 13.729 -1.678 -0.927 1.00 0.00 C ATOM 559 CG MET A 38 13.327 -3.119 -0.731 1.00 0.00 C ATOM 560 SD MET A 38 14.136 -4.234 -1.897 1.00 0.00 S ATOM 561 CE MET A 38 13.132 -5.705 -1.717 1.00 0.00 C ATOM 0 H MET A 38 14.233 -1.367 1.675 1.00 0.00 H new ATOM 0 HA MET A 38 15.878 -1.862 -0.731 1.00 0.00 H new ATOM 0 HB2 MET A 38 12.950 -1.029 -0.528 1.00 0.00 H new ATOM 0 HB3 MET A 38 13.805 -1.467 -1.994 1.00 0.00 H new ATOM 0 HG2 MET A 38 13.571 -3.425 0.286 1.00 0.00 H new ATOM 0 HG3 MET A 38 12.246 -3.208 -0.840 1.00 0.00 H new ATOM 0 HE1 MET A 38 13.465 -6.462 -2.427 1.00 0.00 H new ATOM 0 HE2 MET A 38 13.231 -6.091 -0.702 1.00 0.00 H new ATOM 0 HE3 MET A 38 12.088 -5.459 -1.911 1.00 0.00 H new ATOM 571 N SER A 39 15.826 0.515 -1.575 1.00 0.00 N ATOM 572 CA SER A 39 16.130 1.902 -1.897 1.00 0.00 C ATOM 573 C SER A 39 14.847 2.696 -2.138 1.00 0.00 C ATOM 574 O SER A 39 13.786 2.114 -2.337 1.00 0.00 O ATOM 575 CB SER A 39 17.027 1.973 -3.134 1.00 0.00 C ATOM 576 OG SER A 39 18.207 1.210 -2.953 1.00 0.00 O ATOM 0 H SER A 39 16.038 -0.140 -2.327 1.00 0.00 H new ATOM 0 HA SER A 39 16.656 2.342 -1.049 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.482 1.605 -4.004 1.00 0.00 H new ATOM 0 HB3 SER A 39 17.289 3.011 -3.338 1.00 0.00 H new ATOM 0 HG SER A 39 18.762 1.270 -3.758 1.00 0.00 H new ATOM 582 N ALA A 40 14.964 4.022 -2.126 1.00 0.00 N ATOM 583 CA ALA A 40 13.815 4.910 -2.329 1.00 0.00 C ATOM 584 C ALA A 40 13.204 4.778 -3.731 1.00 0.00 C ATOM 585 O ALA A 40 11.982 4.763 -3.887 1.00 0.00 O ATOM 586 CB ALA A 40 14.208 6.356 -2.062 1.00 0.00 C ATOM 0 H ALA A 40 15.847 4.510 -1.977 1.00 0.00 H new ATOM 0 HA ALA A 40 13.050 4.603 -1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.344 7.002 -2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.555 6.455 -1.033 1.00 0.00 H new ATOM 0 HB3 ALA A 40 15.007 6.648 -2.744 1.00 0.00 H new ATOM 592 N SER A 41 14.060 4.699 -4.748 1.00 0.00 N ATOM 593 CA SER A 41 13.620 4.620 -6.140 1.00 0.00 C ATOM 594 C SER A 41 12.544 3.571 -6.382 1.00 0.00 C ATOM 595 O SER A 41 11.443 3.899 -6.827 1.00 0.00 O ATOM 596 CB SER A 41 14.819 4.326 -7.039 1.00 0.00 C ATOM 597 OG SER A 41 15.635 5.474 -7.199 1.00 0.00 O ATOM 0 H SER A 41 15.073 4.688 -4.632 1.00 0.00 H new ATOM 0 HA SER A 41 13.177 5.587 -6.379 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.408 3.515 -6.610 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.471 3.986 -8.014 1.00 0.00 H new ATOM 0 HG SER A 41 16.396 5.257 -7.777 1.00 0.00 H new ATOM 603 N GLN A 42 12.852 2.318 -6.093 1.00 0.00 N ATOM 604 CA GLN A 42 11.887 1.244 -6.330 1.00 0.00 C ATOM 605 C GLN A 42 10.598 1.482 -5.563 1.00 0.00 C ATOM 606 O GLN A 42 9.530 1.019 -5.962 1.00 0.00 O ATOM 607 CB GLN A 42 12.455 -0.114 -5.975 1.00 0.00 C ATOM 608 CG GLN A 42 12.699 -0.293 -4.506 1.00 0.00 C ATOM 609 CD GLN A 42 13.007 -1.735 -4.155 1.00 0.00 C ATOM 610 OE1 GLN A 42 12.019 -2.445 -3.614 1.00 0.00 O flip ATOM 611 NE2 GLN A 42 14.133 -2.200 -4.338 1.00 0.00 N flip ATOM 0 H GLN A 42 13.744 2.017 -5.701 1.00 0.00 H new ATOM 0 HA GLN A 42 11.667 1.251 -7.398 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.768 -0.888 -6.318 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.393 -0.259 -6.512 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.530 0.341 -4.196 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.822 0.036 -3.950 1.00 0.00 H new ATOM 0 HE21 GLN A 42 14.862 -1.622 -4.756 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.336 -3.163 -4.072 1.00 0.00 H new ATOM 620 N VAL A 43 10.703 2.228 -4.476 1.00 0.00 N ATOM 621 CA VAL A 43 9.528 2.520 -3.669 1.00 0.00 C ATOM 622 C VAL A 43 8.482 3.188 -4.546 1.00 0.00 C ATOM 623 O VAL A 43 7.279 3.031 -4.338 1.00 0.00 O ATOM 624 CB VAL A 43 9.832 3.428 -2.471 1.00 0.00 C ATOM 625 CG1 VAL A 43 8.666 3.416 -1.499 1.00 0.00 C ATOM 626 CG2 VAL A 43 11.114 2.999 -1.787 1.00 0.00 C ATOM 0 H VAL A 43 11.573 2.637 -4.135 1.00 0.00 H new ATOM 0 HA VAL A 43 9.166 1.573 -3.269 1.00 0.00 H new ATOM 0 HB VAL A 43 9.971 4.448 -2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.892 4.064 -0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.769 3.776 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.499 2.399 -1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.312 3.656 -0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 43 11.012 1.973 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.941 3.060 -2.494 1.00 0.00 H new ATOM 636 N LYS A 44 8.963 3.939 -5.534 1.00 0.00 N ATOM 637 CA LYS A 44 8.086 4.591 -6.490 1.00 0.00 C ATOM 638 C LYS A 44 7.217 3.537 -7.150 1.00 0.00 C ATOM 639 O LYS A 44 6.006 3.706 -7.303 1.00 0.00 O ATOM 640 CB LYS A 44 8.903 5.319 -7.557 1.00 0.00 C ATOM 641 CG LYS A 44 9.606 6.560 -7.050 1.00 0.00 C ATOM 642 CD LYS A 44 10.885 6.843 -7.821 1.00 0.00 C ATOM 643 CE LYS A 44 10.636 6.856 -9.315 1.00 0.00 C ATOM 644 NZ LYS A 44 9.851 8.048 -9.739 1.00 0.00 N ATOM 0 H LYS A 44 9.957 4.108 -5.689 1.00 0.00 H new ATOM 0 HA LYS A 44 7.467 5.322 -5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.646 4.633 -7.963 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.243 5.597 -8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.936 7.416 -7.132 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.839 6.438 -5.992 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.294 7.804 -7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.632 6.086 -7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.590 6.844 -9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.102 5.950 -9.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.703 8.018 -10.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.930 8.047 -9.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.371 8.913 -9.489 1.00 0.00 H new ATOM 658 N ASP A 45 7.861 2.444 -7.545 1.00 0.00 N ATOM 659 CA ASP A 45 7.173 1.335 -8.169 1.00 0.00 C ATOM 660 C ASP A 45 6.264 0.669 -7.149 1.00 0.00 C ATOM 661 O ASP A 45 5.110 0.357 -7.435 1.00 0.00 O ATOM 662 CB ASP A 45 8.185 0.328 -8.711 1.00 0.00 C ATOM 663 CG ASP A 45 8.203 0.279 -10.226 1.00 0.00 C ATOM 664 OD1 ASP A 45 8.954 1.068 -10.836 1.00 0.00 O ATOM 665 OD2 ASP A 45 7.465 -0.549 -10.801 1.00 0.00 O ATOM 0 H ASP A 45 8.866 2.308 -7.440 1.00 0.00 H new ATOM 0 HA ASP A 45 6.572 1.703 -9.001 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.180 0.586 -8.348 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.951 -0.663 -8.322 1.00 0.00 H new ATOM 670 N ILE A 46 6.802 0.453 -5.953 1.00 0.00 N ATOM 671 CA ILE A 46 6.044 -0.151 -4.873 1.00 0.00 C ATOM 672 C ILE A 46 4.746 0.637 -4.659 1.00 0.00 C ATOM 673 O ILE A 46 3.659 0.066 -4.617 1.00 0.00 O ATOM 674 CB ILE A 46 6.908 -0.214 -3.590 1.00 0.00 C ATOM 675 CG1 ILE A 46 7.809 -1.449 -3.628 1.00 0.00 C ATOM 676 CG2 ILE A 46 6.068 -0.210 -2.321 1.00 0.00 C ATOM 677 CD1 ILE A 46 8.514 -1.669 -4.953 1.00 0.00 C ATOM 0 H ILE A 46 7.764 0.690 -5.711 1.00 0.00 H new ATOM 0 HA ILE A 46 5.775 -1.175 -5.131 1.00 0.00 H new ATOM 0 HB ILE A 46 7.522 0.687 -3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.559 -1.361 -2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.208 -2.329 -3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.723 -0.255 -1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.474 0.703 -2.281 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.404 -1.075 -2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.131 -2.565 -4.892 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.773 -1.791 -5.743 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.145 -0.809 -5.177 1.00 0.00 H new ATOM 689 N PHE A 47 4.888 1.951 -4.507 1.00 0.00 N ATOM 690 CA PHE A 47 3.752 2.862 -4.339 1.00 0.00 C ATOM 691 C PHE A 47 2.584 2.459 -5.234 1.00 0.00 C ATOM 692 O PHE A 47 1.416 2.577 -4.862 1.00 0.00 O ATOM 693 CB PHE A 47 4.232 4.281 -4.687 1.00 0.00 C ATOM 694 CG PHE A 47 3.186 5.221 -5.236 1.00 0.00 C ATOM 695 CD1 PHE A 47 2.158 5.694 -4.439 1.00 0.00 C ATOM 696 CD2 PHE A 47 3.244 5.630 -6.559 1.00 0.00 C ATOM 697 CE1 PHE A 47 1.209 6.557 -4.954 1.00 0.00 C ATOM 698 CE2 PHE A 47 2.298 6.491 -7.078 1.00 0.00 C ATOM 699 CZ PHE A 47 1.279 6.956 -6.274 1.00 0.00 C ATOM 0 H PHE A 47 5.795 2.418 -4.496 1.00 0.00 H new ATOM 0 HA PHE A 47 3.395 2.821 -3.310 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.658 4.729 -3.789 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.038 4.201 -5.416 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.097 5.386 -3.406 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.041 5.270 -7.193 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.411 6.920 -4.323 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.356 6.800 -8.111 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.537 7.631 -6.676 1.00 0.00 H new ATOM 709 N ARG A 48 2.930 1.987 -6.413 1.00 0.00 N ATOM 710 CA ARG A 48 1.938 1.584 -7.404 1.00 0.00 C ATOM 711 C ARG A 48 1.053 0.443 -6.906 1.00 0.00 C ATOM 712 O ARG A 48 -0.077 0.290 -7.369 1.00 0.00 O ATOM 713 CB ARG A 48 2.616 1.188 -8.713 1.00 0.00 C ATOM 714 CG ARG A 48 3.461 2.299 -9.310 1.00 0.00 C ATOM 715 CD ARG A 48 2.682 3.605 -9.391 1.00 0.00 C ATOM 716 NE ARG A 48 3.179 4.473 -10.455 1.00 0.00 N ATOM 717 CZ ARG A 48 4.359 5.085 -10.422 1.00 0.00 C ATOM 718 NH1 ARG A 48 5.174 4.904 -9.393 1.00 0.00 N ATOM 719 NH2 ARG A 48 4.729 5.869 -11.426 1.00 0.00 N ATOM 0 H ARG A 48 3.897 1.870 -6.716 1.00 0.00 H new ATOM 0 HA ARG A 48 1.295 2.446 -7.578 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.246 0.315 -8.539 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.854 0.893 -9.434 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.356 2.444 -8.704 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.794 2.010 -10.307 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.628 3.388 -9.563 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.749 4.127 -8.436 1.00 0.00 H new ATOM 0 HE ARG A 48 2.586 4.618 -11.272 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.897 4.294 -8.624 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.079 5.375 -9.370 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.108 6.003 -12.224 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.634 6.338 -11.400 1.00 0.00 H new ATOM 733 N PHE A 49 1.553 -0.364 -5.968 1.00 0.00 N ATOM 734 CA PHE A 49 0.760 -1.472 -5.436 1.00 0.00 C ATOM 735 C PHE A 49 -0.605 -0.963 -4.992 1.00 0.00 C ATOM 736 O PHE A 49 -1.635 -1.445 -5.463 1.00 0.00 O ATOM 737 CB PHE A 49 1.484 -2.178 -4.290 1.00 0.00 C ATOM 738 CG PHE A 49 0.636 -3.199 -3.580 1.00 0.00 C ATOM 739 CD1 PHE A 49 -0.199 -2.829 -2.538 1.00 0.00 C ATOM 740 CD2 PHE A 49 0.675 -4.529 -3.963 1.00 0.00 C ATOM 741 CE1 PHE A 49 -0.978 -3.768 -1.890 1.00 0.00 C ATOM 742 CE2 PHE A 49 -0.103 -5.473 -3.319 1.00 0.00 C ATOM 743 CZ PHE A 49 -0.930 -5.092 -2.281 1.00 0.00 C ATOM 0 H PHE A 49 2.487 -0.274 -5.567 1.00 0.00 H new ATOM 0 HA PHE A 49 0.620 -2.208 -6.228 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.376 -2.667 -4.681 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.820 -1.432 -3.569 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.241 -1.795 -2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.320 -4.832 -4.774 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.624 -3.467 -1.078 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.064 -6.507 -3.627 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.538 -5.828 -1.776 1.00 0.00 H new ATOM 753 N ILE A 50 -0.617 0.007 -4.080 1.00 0.00 N ATOM 754 CA ILE A 50 -1.871 0.598 -3.652 1.00 0.00 C ATOM 755 C ILE A 50 -2.472 1.323 -4.860 1.00 0.00 C ATOM 756 O ILE A 50 -2.476 0.765 -5.957 1.00 0.00 O ATOM 757 CB ILE A 50 -1.680 1.556 -2.448 1.00 0.00 C ATOM 758 CG1 ILE A 50 -0.576 2.582 -2.717 1.00 0.00 C ATOM 759 CG2 ILE A 50 -1.377 0.768 -1.190 1.00 0.00 C ATOM 760 CD1 ILE A 50 -0.416 3.590 -1.596 1.00 0.00 C ATOM 0 H ILE A 50 0.215 0.391 -3.633 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.549 -0.181 -3.302 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.612 2.103 -2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.369 2.060 -2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.797 3.111 -3.644 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.245 1.454 -0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.204 0.091 -0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.463 0.191 -1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.382 4.289 -1.847 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.349 4.137 -1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.165 3.070 -0.672 1.00 0.00 H new ATOM 772 N ASP A 51 -2.974 2.541 -4.702 1.00 0.00 N ATOM 773 CA ASP A 51 -3.527 3.249 -5.841 1.00 0.00 C ATOM 774 C ASP A 51 -2.396 3.730 -6.754 1.00 0.00 C ATOM 775 O ASP A 51 -1.287 4.000 -6.298 1.00 0.00 O ATOM 776 CB ASP A 51 -4.407 4.408 -5.371 1.00 0.00 C ATOM 777 CG ASP A 51 -5.868 4.013 -5.301 1.00 0.00 C ATOM 778 OD1 ASP A 51 -6.469 3.772 -6.369 1.00 0.00 O ATOM 779 OD2 ASP A 51 -6.412 3.945 -4.179 1.00 0.00 O ATOM 0 H ASP A 51 -3.009 3.047 -3.817 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.158 2.572 -6.416 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.073 4.742 -4.389 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.291 5.252 -6.051 1.00 0.00 H new ATOM 784 N ASN A 52 -2.682 3.811 -8.048 1.00 0.00 N ATOM 785 CA ASN A 52 -1.681 4.236 -9.027 1.00 0.00 C ATOM 786 C ASN A 52 -1.851 5.700 -9.391 1.00 0.00 C ATOM 787 O ASN A 52 -0.878 6.445 -9.505 1.00 0.00 O ATOM 788 CB ASN A 52 -1.772 3.370 -10.286 1.00 0.00 C ATOM 789 CG ASN A 52 -0.819 3.819 -11.373 1.00 0.00 C ATOM 790 OD1 ASN A 52 0.368 3.493 -11.354 1.00 0.00 O ATOM 791 ND2 ASN A 52 -1.346 4.556 -12.334 1.00 0.00 N ATOM 0 H ASN A 52 -3.595 3.589 -8.446 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.697 4.112 -8.575 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.557 2.334 -10.026 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.792 3.398 -10.668 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.763 4.881 -13.105 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.336 4.800 -12.305 1.00 0.00 H new ATOM 798 N ASP A 53 -3.091 6.098 -9.576 1.00 0.00 N ATOM 799 CA ASP A 53 -3.419 7.467 -9.922 1.00 0.00 C ATOM 800 C ASP A 53 -4.897 7.687 -9.690 1.00 0.00 C ATOM 801 O ASP A 53 -5.708 6.812 -9.995 1.00 0.00 O ATOM 802 CB ASP A 53 -3.059 7.756 -11.380 1.00 0.00 C ATOM 803 CG ASP A 53 -3.411 9.172 -11.792 1.00 0.00 C ATOM 804 OD1 ASP A 53 -2.574 10.076 -11.580 1.00 0.00 O ATOM 805 OD2 ASP A 53 -4.521 9.378 -12.325 1.00 0.00 O ATOM 0 H ASP A 53 -3.901 5.484 -9.491 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.843 8.148 -9.295 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.991 7.592 -11.527 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.582 7.052 -12.027 1.00 0.00 H new ATOM 810 N GLN A 54 -5.262 8.851 -9.180 1.00 0.00 N ATOM 811 CA GLN A 54 -6.648 9.139 -8.902 1.00 0.00 C ATOM 812 C GLN A 54 -6.911 10.638 -9.021 1.00 0.00 C ATOM 813 O GLN A 54 -7.708 11.066 -9.855 1.00 0.00 O ATOM 814 CB GLN A 54 -7.001 8.650 -7.498 1.00 0.00 C ATOM 815 CG GLN A 54 -6.294 7.357 -7.122 1.00 0.00 C ATOM 816 CD GLN A 54 -6.874 6.680 -5.899 1.00 0.00 C ATOM 817 OE1 GLN A 54 -6.408 7.089 -4.730 1.00 0.00 O flip ATOM 818 NE2 GLN A 54 -7.738 5.809 -6.004 1.00 0.00 N flip ATOM 0 H GLN A 54 -4.616 9.606 -8.952 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.273 8.621 -9.629 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.741 9.423 -6.774 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.079 8.500 -7.432 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.343 6.668 -7.965 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.240 7.568 -6.944 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.067 5.526 -6.927 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.125 5.371 -5.168 1.00 0.00 H new ATOM 827 N SER A 55 -6.240 11.435 -8.192 1.00 0.00 N ATOM 828 CA SER A 55 -6.404 12.885 -8.239 1.00 0.00 C ATOM 829 C SER A 55 -5.121 13.602 -7.818 1.00 0.00 C ATOM 830 O SER A 55 -5.164 14.569 -7.058 1.00 0.00 O ATOM 831 CB SER A 55 -7.555 13.314 -7.328 1.00 0.00 C ATOM 832 OG SER A 55 -7.411 12.763 -6.030 1.00 0.00 O ATOM 0 H SER A 55 -5.583 11.104 -7.485 1.00 0.00 H new ATOM 0 HA SER A 55 -6.631 13.163 -9.268 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.586 14.402 -7.263 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.503 12.993 -7.759 1.00 0.00 H new ATOM 0 HG SER A 55 -8.158 13.054 -5.467 1.00 0.00 H new ATOM 838 N GLY A 56 -3.982 13.124 -8.315 1.00 0.00 N ATOM 839 CA GLY A 56 -2.711 13.745 -7.972 1.00 0.00 C ATOM 840 C GLY A 56 -2.041 13.088 -6.781 1.00 0.00 C ATOM 841 O GLY A 56 -0.826 13.176 -6.607 1.00 0.00 O ATOM 0 H GLY A 56 -3.915 12.324 -8.944 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.043 13.696 -8.832 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.874 14.801 -7.755 1.00 0.00 H new ATOM 845 N TYR A 57 -2.848 12.430 -5.966 1.00 0.00 N ATOM 846 CA TYR A 57 -2.374 11.764 -4.759 1.00 0.00 C ATOM 847 C TYR A 57 -3.415 10.757 -4.314 1.00 0.00 C ATOM 848 O TYR A 57 -4.549 10.775 -4.791 1.00 0.00 O ATOM 849 CB TYR A 57 -2.143 12.779 -3.622 1.00 0.00 C ATOM 850 CG TYR A 57 -2.451 14.205 -3.992 1.00 0.00 C ATOM 851 CD1 TYR A 57 -3.754 14.638 -3.965 1.00 0.00 C ATOM 852 CD2 TYR A 57 -1.460 15.096 -4.382 1.00 0.00 C ATOM 853 CE1 TYR A 57 -4.086 15.932 -4.315 1.00 0.00 C ATOM 854 CE2 TYR A 57 -1.775 16.396 -4.731 1.00 0.00 C ATOM 855 CZ TYR A 57 -3.092 16.808 -4.697 1.00 0.00 C ATOM 856 OH TYR A 57 -3.414 18.099 -5.047 1.00 0.00 O ATOM 0 H TYR A 57 -3.852 12.341 -6.121 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.428 11.270 -4.982 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.759 12.497 -2.768 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.103 12.716 -3.300 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.534 13.954 -3.664 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.431 14.770 -4.413 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -5.116 16.255 -4.290 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.997 17.084 -5.028 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.598 18.585 -5.289 1.00 0.00 H new ATOM 866 N LEU A 58 -3.036 9.883 -3.404 1.00 0.00 N ATOM 867 CA LEU A 58 -3.973 8.903 -2.898 1.00 0.00 C ATOM 868 C LEU A 58 -4.457 9.362 -1.534 1.00 0.00 C ATOM 869 O LEU A 58 -3.727 10.042 -0.816 1.00 0.00 O ATOM 870 CB LEU A 58 -3.327 7.517 -2.832 1.00 0.00 C ATOM 871 CG LEU A 58 -2.370 7.200 -3.989 1.00 0.00 C ATOM 872 CD1 LEU A 58 -1.687 5.857 -3.774 1.00 0.00 C ATOM 873 CD2 LEU A 58 -3.096 7.230 -5.326 1.00 0.00 C ATOM 0 H LEU A 58 -2.099 9.831 -3.005 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.826 8.819 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.781 7.430 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.115 6.764 -2.814 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.602 7.973 -4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.014 5.654 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.118 5.883 -2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.440 5.071 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.393 7.002 -6.127 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.895 6.489 -5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.521 8.221 -5.487 1.00 0.00 H new ATOM 885 N ASP A 59 -5.679 8.997 -1.166 1.00 0.00 N ATOM 886 CA ASP A 59 -6.222 9.436 0.110 1.00 0.00 C ATOM 887 C ASP A 59 -7.123 8.383 0.727 1.00 0.00 C ATOM 888 O ASP A 59 -7.696 7.540 0.034 1.00 0.00 O ATOM 889 CB ASP A 59 -6.988 10.745 -0.071 1.00 0.00 C ATOM 890 CG ASP A 59 -7.384 11.372 1.252 1.00 0.00 C ATOM 891 OD1 ASP A 59 -8.483 11.056 1.753 1.00 0.00 O ATOM 892 OD2 ASP A 59 -6.595 12.179 1.786 1.00 0.00 O ATOM 0 H ASP A 59 -6.301 8.410 -1.721 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.387 9.597 0.791 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.373 11.448 -0.633 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.883 10.560 -0.664 1.00 0.00 H new ATOM 897 N GLY A 60 -7.260 8.472 2.043 1.00 0.00 N ATOM 898 CA GLY A 60 -8.034 7.505 2.808 1.00 0.00 C ATOM 899 C GLY A 60 -9.350 7.130 2.159 1.00 0.00 C ATOM 900 O GLY A 60 -9.849 6.022 2.352 1.00 0.00 O ATOM 0 H GLY A 60 -6.841 9.211 2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.437 6.603 2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.231 7.913 3.799 1.00 0.00 H new ATOM 904 N ASP A 61 -9.912 8.050 1.391 1.00 0.00 N ATOM 905 CA ASP A 61 -11.178 7.806 0.717 1.00 0.00 C ATOM 906 C ASP A 61 -10.984 6.838 -0.433 1.00 0.00 C ATOM 907 O ASP A 61 -11.685 5.835 -0.568 1.00 0.00 O ATOM 908 CB ASP A 61 -11.733 9.106 0.148 1.00 0.00 C ATOM 909 CG ASP A 61 -11.527 10.285 1.078 1.00 0.00 C ATOM 910 OD1 ASP A 61 -12.203 10.340 2.127 1.00 0.00 O ATOM 911 OD2 ASP A 61 -10.693 11.156 0.755 1.00 0.00 O ATOM 0 H ASP A 61 -9.512 8.972 1.219 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.871 7.388 1.448 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.253 9.314 -0.808 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.798 8.986 -0.050 1.00 0.00 H new ATOM 916 N GLU A 62 -10.008 7.177 -1.254 1.00 0.00 N ATOM 917 CA GLU A 62 -9.679 6.428 -2.451 1.00 0.00 C ATOM 918 C GLU A 62 -8.898 5.148 -2.150 1.00 0.00 C ATOM 919 O GLU A 62 -8.984 4.171 -2.892 1.00 0.00 O ATOM 920 CB GLU A 62 -8.884 7.330 -3.377 1.00 0.00 C ATOM 921 CG GLU A 62 -9.596 8.625 -3.715 1.00 0.00 C ATOM 922 CD GLU A 62 -10.842 8.412 -4.550 1.00 0.00 C ATOM 923 OE1 GLU A 62 -10.724 8.367 -5.792 1.00 0.00 O ATOM 924 OE2 GLU A 62 -11.937 8.294 -3.959 1.00 0.00 O ATOM 0 H GLU A 62 -9.413 7.992 -1.106 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.608 6.113 -2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.926 7.562 -2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.668 6.791 -4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.867 9.137 -2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.911 9.280 -4.254 1.00 0.00 H new ATOM 931 N LEU A 63 -8.133 5.170 -1.066 1.00 0.00 N ATOM 932 CA LEU A 63 -7.307 4.028 -0.664 1.00 0.00 C ATOM 933 C LEU A 63 -7.996 2.681 -0.906 1.00 0.00 C ATOM 934 O LEU A 63 -7.353 1.724 -1.336 1.00 0.00 O ATOM 935 CB LEU A 63 -6.938 4.163 0.818 1.00 0.00 C ATOM 936 CG LEU A 63 -5.898 5.245 1.129 1.00 0.00 C ATOM 937 CD1 LEU A 63 -5.357 5.110 2.542 1.00 0.00 C ATOM 938 CD2 LEU A 63 -4.769 5.231 0.105 1.00 0.00 C ATOM 0 H LEU A 63 -8.064 5.973 -0.441 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.411 4.042 -1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.844 4.377 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.560 3.204 1.172 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.400 6.210 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.622 5.894 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.176 5.204 3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.884 4.135 2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.046 6.009 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.276 4.259 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.177 5.415 -0.889 1.00 0.00 H new ATOM 950 N LYS A 64 -9.295 2.602 -0.632 1.00 0.00 N ATOM 951 CA LYS A 64 -10.041 1.361 -0.814 1.00 0.00 C ATOM 952 C LYS A 64 -10.058 0.884 -2.262 1.00 0.00 C ATOM 953 O LYS A 64 -10.238 -0.306 -2.521 1.00 0.00 O ATOM 954 CB LYS A 64 -11.480 1.575 -0.359 1.00 0.00 C ATOM 955 CG LYS A 64 -11.608 2.065 1.068 1.00 0.00 C ATOM 956 CD LYS A 64 -13.040 2.462 1.389 1.00 0.00 C ATOM 957 CE LYS A 64 -13.291 3.934 1.109 1.00 0.00 C ATOM 958 NZ LYS A 64 -12.610 4.809 2.101 1.00 0.00 N ATOM 0 H LYS A 64 -9.852 3.382 -0.283 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.540 0.596 -0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.957 2.295 -1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.026 0.637 -0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.283 1.283 1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.948 2.919 1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.727 1.857 0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.250 2.250 2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.939 4.178 0.107 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.363 4.130 1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.098 5.726 2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.633 4.356 3.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.622 4.958 1.812 1.00 0.00 H new ATOM 972 N TYR A 65 -9.878 1.796 -3.201 1.00 0.00 N ATOM 973 CA TYR A 65 -9.898 1.422 -4.616 1.00 0.00 C ATOM 974 C TYR A 65 -8.630 0.680 -5.035 1.00 0.00 C ATOM 975 O TYR A 65 -8.600 0.066 -6.096 1.00 0.00 O ATOM 976 CB TYR A 65 -10.102 2.648 -5.509 1.00 0.00 C ATOM 977 CG TYR A 65 -11.231 3.552 -5.064 1.00 0.00 C ATOM 978 CD1 TYR A 65 -12.227 3.089 -4.213 1.00 0.00 C ATOM 979 CD2 TYR A 65 -11.294 4.872 -5.490 1.00 0.00 C ATOM 980 CE1 TYR A 65 -13.253 3.918 -3.796 1.00 0.00 C ATOM 981 CE2 TYR A 65 -12.319 5.705 -5.081 1.00 0.00 C ATOM 982 CZ TYR A 65 -13.294 5.223 -4.235 1.00 0.00 C ATOM 983 OH TYR A 65 -14.313 6.051 -3.823 1.00 0.00 O ATOM 0 H TYR A 65 -9.718 2.787 -3.021 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.742 0.744 -4.745 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.177 3.224 -5.534 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.298 2.314 -6.528 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.200 2.065 -3.871 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.530 5.254 -6.151 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -14.017 3.544 -3.130 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.355 6.729 -5.423 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.195 6.938 -4.222 1.00 0.00 H new ATOM 993 N PHE A 66 -7.586 0.727 -4.213 1.00 0.00 N ATOM 994 CA PHE A 66 -6.335 0.042 -4.544 1.00 0.00 C ATOM 995 C PHE A 66 -6.612 -1.417 -4.922 1.00 0.00 C ATOM 996 O PHE A 66 -6.184 -1.894 -5.972 1.00 0.00 O ATOM 997 CB PHE A 66 -5.340 0.156 -3.361 1.00 0.00 C ATOM 998 CG PHE A 66 -4.847 -1.157 -2.788 1.00 0.00 C ATOM 999 CD1 PHE A 66 -4.113 -2.041 -3.564 1.00 0.00 C ATOM 1000 CD2 PHE A 66 -5.140 -1.506 -1.483 1.00 0.00 C ATOM 1001 CE1 PHE A 66 -3.679 -3.246 -3.044 1.00 0.00 C ATOM 1002 CE2 PHE A 66 -4.715 -2.710 -0.957 1.00 0.00 C ATOM 1003 CZ PHE A 66 -3.981 -3.581 -1.739 1.00 0.00 C ATOM 0 H PHE A 66 -7.577 1.225 -3.323 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.877 0.521 -5.409 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.477 0.734 -3.691 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.817 0.723 -2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.878 -1.785 -4.587 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.710 -0.827 -0.866 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.105 -3.924 -3.657 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.956 -2.970 0.063 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.644 -4.522 -1.330 1.00 0.00 H new ATOM 1013 N LEU A 67 -7.331 -2.107 -4.049 1.00 0.00 N ATOM 1014 CA LEU A 67 -7.683 -3.497 -4.291 1.00 0.00 C ATOM 1015 C LEU A 67 -8.546 -3.572 -5.530 1.00 0.00 C ATOM 1016 O LEU A 67 -8.456 -4.509 -6.319 1.00 0.00 O ATOM 1017 CB LEU A 67 -8.452 -4.082 -3.107 1.00 0.00 C ATOM 1018 CG LEU A 67 -7.588 -4.736 -2.024 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -8.460 -5.385 -0.964 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -6.644 -5.756 -2.641 1.00 0.00 C ATOM 0 H LEU A 67 -7.681 -1.728 -3.169 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.767 -4.073 -4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.040 -3.287 -2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.157 -4.823 -3.483 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.990 -3.960 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.828 -5.844 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.093 -4.629 -0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.086 -6.149 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.038 -6.211 -1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.223 -6.529 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.993 -5.260 -3.362 1.00 0.00 H new ATOM 1032 N GLN A 68 -9.363 -2.548 -5.695 1.00 0.00 N ATOM 1033 CA GLN A 68 -10.260 -2.453 -6.821 1.00 0.00 C ATOM 1034 C GLN A 68 -9.471 -2.282 -8.114 1.00 0.00 C ATOM 1035 O GLN A 68 -9.826 -2.859 -9.142 1.00 0.00 O ATOM 1036 CB GLN A 68 -11.242 -1.303 -6.591 1.00 0.00 C ATOM 1037 CG GLN A 68 -12.278 -1.622 -5.528 1.00 0.00 C ATOM 1038 CD GLN A 68 -13.527 -0.772 -5.654 1.00 0.00 C ATOM 1039 OE1 GLN A 68 -13.471 0.371 -6.108 1.00 0.00 O ATOM 1040 NE2 GLN A 68 -14.664 -1.328 -5.252 1.00 0.00 N ATOM 0 H GLN A 68 -9.420 -1.761 -5.049 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.834 -3.375 -6.916 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.689 -0.411 -6.297 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.748 -1.070 -7.528 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.552 -2.675 -5.598 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.839 -1.471 -4.542 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.664 -2.279 -4.882 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.537 -0.805 -5.313 1.00 0.00 H new ATOM 1049 N LYS A 69 -8.398 -1.487 -8.072 1.00 0.00 N ATOM 1050 CA LYS A 69 -7.561 -1.294 -9.241 1.00 0.00 C ATOM 1051 C LYS A 69 -7.047 -2.619 -9.777 1.00 0.00 C ATOM 1052 O LYS A 69 -7.331 -3.005 -10.911 1.00 0.00 O ATOM 1053 CB LYS A 69 -6.357 -0.421 -8.871 1.00 0.00 C ATOM 1054 CG LYS A 69 -6.742 0.931 -8.296 1.00 0.00 C ATOM 1055 CD LYS A 69 -7.985 1.467 -8.974 1.00 0.00 C ATOM 1056 CE LYS A 69 -8.433 2.789 -8.416 1.00 0.00 C ATOM 1057 NZ LYS A 69 -7.529 3.905 -8.807 1.00 0.00 N ATOM 0 H LYS A 69 -8.097 -0.974 -7.244 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.166 -0.812 -10.009 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.742 -0.953 -8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.743 -0.268 -9.759 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.917 0.839 -7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.919 1.634 -8.425 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.792 1.576 -10.041 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.792 0.742 -8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.443 3.004 -8.765 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.478 2.725 -7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.095 4.748 -9.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.884 4.121 -8.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.976 3.627 -9.642 1.00 0.00 H new ATOM 1071 N PHE A 70 -6.285 -3.305 -8.939 1.00 0.00 N ATOM 1072 CA PHE A 70 -5.699 -4.585 -9.304 1.00 0.00 C ATOM 1073 C PHE A 70 -6.777 -5.662 -9.450 1.00 0.00 C ATOM 1074 O PHE A 70 -6.771 -6.425 -10.416 1.00 0.00 O ATOM 1075 CB PHE A 70 -4.618 -4.962 -8.263 1.00 0.00 C ATOM 1076 CG PHE A 70 -4.741 -6.337 -7.646 1.00 0.00 C ATOM 1077 CD1 PHE A 70 -4.261 -7.456 -8.307 1.00 0.00 C ATOM 1078 CD2 PHE A 70 -5.340 -6.498 -6.408 1.00 0.00 C ATOM 1079 CE1 PHE A 70 -4.376 -8.713 -7.741 1.00 0.00 C ATOM 1080 CE2 PHE A 70 -5.459 -7.751 -5.838 1.00 0.00 C ATOM 1081 CZ PHE A 70 -4.976 -8.860 -6.505 1.00 0.00 C ATOM 0 H PHE A 70 -6.057 -2.994 -7.995 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.218 -4.506 -10.279 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.641 -4.886 -8.740 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.640 -4.223 -7.462 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.792 -7.346 -9.274 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.719 -5.634 -5.882 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.997 -9.578 -8.265 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.929 -7.863 -4.872 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.067 -9.840 -6.061 1.00 0.00 H new ATOM 1091 N GLN A 71 -7.695 -5.722 -8.492 1.00 0.00 N ATOM 1092 CA GLN A 71 -8.755 -6.722 -8.533 1.00 0.00 C ATOM 1093 C GLN A 71 -9.902 -6.284 -9.436 1.00 0.00 C ATOM 1094 O GLN A 71 -10.055 -6.796 -10.546 1.00 0.00 O ATOM 1095 CB GLN A 71 -9.290 -7.020 -7.129 1.00 0.00 C ATOM 1096 CG GLN A 71 -10.283 -8.173 -7.100 1.00 0.00 C ATOM 1097 CD GLN A 71 -10.765 -8.511 -5.702 1.00 0.00 C ATOM 1098 OE1 GLN A 71 -10.884 -7.502 -4.845 1.00 0.00 O flip ATOM 1099 NE2 GLN A 71 -11.042 -9.672 -5.396 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.727 -5.098 -7.686 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.317 -7.632 -8.944 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.454 -7.252 -6.470 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.770 -6.125 -6.732 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.142 -7.920 -7.722 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.819 -9.055 -7.541 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.937 -10.419 -6.082 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.376 -9.886 -4.456 1.00 0.00 H new ATOM 1108 N SER A 72 -10.700 -5.337 -8.923 1.00 0.00 N ATOM 1109 CA SER A 72 -11.892 -4.785 -9.589 1.00 0.00 C ATOM 1110 C SER A 72 -13.145 -5.250 -8.851 1.00 0.00 C ATOM 1111 O SER A 72 -14.253 -5.189 -9.384 1.00 0.00 O ATOM 1112 CB SER A 72 -11.988 -5.163 -11.069 1.00 0.00 C ATOM 1113 OG SER A 72 -10.831 -4.759 -11.779 1.00 0.00 O ATOM 0 H SER A 72 -10.531 -4.921 -8.007 1.00 0.00 H new ATOM 0 HA SER A 72 -11.805 -3.699 -9.552 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.117 -6.241 -11.164 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.869 -4.696 -11.509 1.00 0.00 H new ATOM 0 HG SER A 72 -10.196 -5.504 -11.820 1.00 0.00 H new ATOM 1119 N ASP A 73 -12.954 -5.714 -7.612 1.00 0.00 N ATOM 1120 CA ASP A 73 -14.050 -6.214 -6.798 1.00 0.00 C ATOM 1121 C ASP A 73 -13.684 -6.176 -5.316 1.00 0.00 C ATOM 1122 O ASP A 73 -14.183 -6.976 -4.525 1.00 0.00 O ATOM 1123 CB ASP A 73 -14.407 -7.644 -7.216 1.00 0.00 C ATOM 1124 CG ASP A 73 -15.587 -8.198 -6.441 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -16.738 -7.938 -6.848 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -15.360 -8.893 -5.428 1.00 0.00 O ATOM 0 H ASP A 73 -12.043 -5.751 -7.155 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.916 -5.571 -6.955 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.636 -7.661 -8.282 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.542 -8.290 -7.065 1.00 0.00 H new ATOM 1131 N ALA A 74 -12.812 -5.245 -4.935 1.00 0.00 N ATOM 1132 CA ALA A 74 -12.400 -5.119 -3.550 1.00 0.00 C ATOM 1133 C ALA A 74 -13.598 -4.869 -2.650 1.00 0.00 C ATOM 1134 O ALA A 74 -14.596 -4.290 -3.077 1.00 0.00 O ATOM 1135 CB ALA A 74 -11.416 -3.970 -3.405 1.00 0.00 C ATOM 0 H ALA A 74 -12.381 -4.571 -5.568 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.924 -6.053 -3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.111 -3.881 -2.362 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.540 -4.161 -4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.891 -3.042 -3.724 1.00 0.00 H new ATOM 1141 N ARG A 75 -13.497 -5.306 -1.402 1.00 0.00 N ATOM 1142 CA ARG A 75 -14.563 -5.086 -0.442 1.00 0.00 C ATOM 1143 C ARG A 75 -14.590 -3.618 -0.005 1.00 0.00 C ATOM 1144 O ARG A 75 -15.483 -3.205 0.733 1.00 0.00 O ATOM 1145 CB ARG A 75 -14.380 -5.990 0.778 1.00 0.00 C ATOM 1146 CG ARG A 75 -13.066 -5.768 1.511 1.00 0.00 C ATOM 1147 CD ARG A 75 -12.100 -6.917 1.280 1.00 0.00 C ATOM 1148 NE ARG A 75 -10.783 -6.646 1.849 1.00 0.00 N ATOM 1149 CZ ARG A 75 -9.834 -7.567 1.976 1.00 0.00 C ATOM 1150 NH1 ARG A 75 -10.061 -8.814 1.586 1.00 0.00 N ATOM 1151 NH2 ARG A 75 -8.658 -7.242 2.494 1.00 0.00 N ATOM 0 H ARG A 75 -12.691 -5.812 -1.035 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.512 -5.331 -0.920 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.205 -5.823 1.470 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.437 -7.031 0.460 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.612 -4.836 1.173 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.257 -5.661 2.579 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.506 -7.827 1.722 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.002 -7.099 0.210 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.581 -5.698 2.166 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.965 -9.067 1.188 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.331 -9.520 1.684 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.481 -6.284 2.796 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.930 -7.950 2.591 1.00 0.00 H new ATOM 1165 N GLU A 76 -13.589 -2.843 -0.463 1.00 0.00 N ATOM 1166 CA GLU A 76 -13.453 -1.420 -0.151 1.00 0.00 C ATOM 1167 C GLU A 76 -12.610 -1.257 1.096 1.00 0.00 C ATOM 1168 O GLU A 76 -12.851 -0.386 1.930 1.00 0.00 O ATOM 1169 CB GLU A 76 -14.803 -0.733 0.017 1.00 0.00 C ATOM 1170 CG GLU A 76 -15.738 -0.967 -1.154 1.00 0.00 C ATOM 1171 CD GLU A 76 -17.121 -0.390 -0.927 1.00 0.00 C ATOM 1172 OE1 GLU A 76 -17.307 0.821 -1.168 1.00 0.00 O ATOM 1173 OE2 GLU A 76 -18.020 -1.150 -0.509 1.00 0.00 O ATOM 0 H GLU A 76 -12.847 -3.198 -1.066 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.960 -0.936 -0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.276 -1.093 0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.646 0.339 0.141 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.307 -0.523 -2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.822 -2.038 -1.337 1.00 0.00 H new ATOM 1180 N LEU A 77 -11.595 -2.109 1.178 1.00 0.00 N ATOM 1181 CA LEU A 77 -10.665 -2.159 2.311 1.00 0.00 C ATOM 1182 C LEU A 77 -11.338 -1.788 3.634 1.00 0.00 C ATOM 1183 O LEU A 77 -10.690 -1.272 4.540 1.00 0.00 O ATOM 1184 CB LEU A 77 -9.492 -1.226 2.039 1.00 0.00 C ATOM 1185 CG LEU A 77 -8.524 -1.711 0.967 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -7.614 -0.578 0.546 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -7.707 -2.889 1.477 1.00 0.00 C ATOM 0 H LEU A 77 -11.388 -2.795 0.453 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.314 -3.186 2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.882 -0.252 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.940 -1.079 2.967 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.097 -2.044 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.924 -0.931 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.213 0.240 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.048 -0.226 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.022 -3.221 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.138 -2.584 2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.376 -3.707 1.745 1.00 0.00 H new ATOM 1199 N THR A 78 -12.630 -2.101 3.739 1.00 0.00 N ATOM 1200 CA THR A 78 -13.433 -1.796 4.923 1.00 0.00 C ATOM 1201 C THR A 78 -13.054 -0.464 5.566 1.00 0.00 C ATOM 1202 O THR A 78 -12.263 0.311 5.030 1.00 0.00 O ATOM 1203 CB THR A 78 -13.311 -2.901 5.986 1.00 0.00 C ATOM 1204 OG1 THR A 78 -12.002 -2.881 6.566 1.00 0.00 O ATOM 1205 CG2 THR A 78 -13.573 -4.264 5.373 1.00 0.00 C ATOM 0 H THR A 78 -13.151 -2.575 3.002 1.00 0.00 H new ATOM 0 HA THR A 78 -14.461 -1.732 4.568 1.00 0.00 H new ATOM 0 HB THR A 78 -14.055 -2.715 6.761 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.775 -3.777 6.893 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.482 -5.032 6.141 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.579 -4.287 4.954 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.847 -4.453 4.583 1.00 0.00 H new ATOM 1213 N GLU A 79 -13.700 -0.161 6.673 1.00 0.00 N ATOM 1214 CA GLU A 79 -13.391 1.029 7.416 1.00 0.00 C ATOM 1215 C GLU A 79 -11.998 0.897 8.029 1.00 0.00 C ATOM 1216 O GLU A 79 -11.172 1.808 7.964 1.00 0.00 O ATOM 1217 CB GLU A 79 -14.434 1.226 8.509 1.00 0.00 C ATOM 1218 CG GLU A 79 -14.318 2.559 9.201 1.00 0.00 C ATOM 1219 CD GLU A 79 -15.303 2.717 10.343 1.00 0.00 C ATOM 1220 OE1 GLU A 79 -16.450 3.140 10.084 1.00 0.00 O ATOM 1221 OE2 GLU A 79 -14.928 2.420 11.496 1.00 0.00 O ATOM 0 H GLU A 79 -14.445 -0.730 7.074 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.404 1.894 6.753 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.429 1.134 8.074 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.334 0.430 9.247 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.304 2.678 9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.480 3.355 8.475 1.00 0.00 H new ATOM 1228 N SER A 80 -11.767 -0.272 8.624 1.00 0.00 N ATOM 1229 CA SER A 80 -10.518 -0.591 9.312 1.00 0.00 C ATOM 1230 C SER A 80 -9.302 -0.781 8.400 1.00 0.00 C ATOM 1231 O SER A 80 -8.245 -0.209 8.663 1.00 0.00 O ATOM 1232 CB SER A 80 -10.705 -1.848 10.153 1.00 0.00 C ATOM 1233 OG SER A 80 -9.599 -2.051 11.015 1.00 0.00 O ATOM 0 H SER A 80 -12.448 -1.031 8.642 1.00 0.00 H new ATOM 0 HA SER A 80 -10.299 0.282 9.927 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.619 -1.764 10.741 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.825 -2.712 9.500 1.00 0.00 H new ATOM 0 HG SER A 80 -9.893 -2.534 11.816 1.00 0.00 H new ATOM 1239 N GLU A 81 -9.432 -1.576 7.336 1.00 0.00 N ATOM 1240 CA GLU A 81 -8.285 -1.867 6.472 1.00 0.00 C ATOM 1241 C GLU A 81 -7.622 -0.615 5.905 1.00 0.00 C ATOM 1242 O GLU A 81 -6.396 -0.546 5.855 1.00 0.00 O ATOM 1243 CB GLU A 81 -8.678 -2.799 5.328 1.00 0.00 C ATOM 1244 CG GLU A 81 -7.655 -3.889 5.072 1.00 0.00 C ATOM 1245 CD GLU A 81 -6.279 -3.337 4.758 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -5.535 -3.018 5.710 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -5.944 -3.223 3.560 1.00 0.00 O ATOM 0 H GLU A 81 -10.304 -2.024 7.055 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.554 -2.360 7.113 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.640 -3.258 5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.811 -2.213 4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.592 -4.535 5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.991 -4.510 4.241 1.00 0.00 H new ATOM 1254 N THR A 82 -8.396 0.377 5.480 1.00 0.00 N ATOM 1255 CA THR A 82 -7.785 1.582 4.946 1.00 0.00 C ATOM 1256 C THR A 82 -6.876 2.204 5.999 1.00 0.00 C ATOM 1257 O THR A 82 -5.982 2.986 5.677 1.00 0.00 O ATOM 1258 CB THR A 82 -8.820 2.614 4.487 1.00 0.00 C ATOM 1259 OG1 THR A 82 -9.621 3.046 5.593 1.00 0.00 O ATOM 1260 CG2 THR A 82 -9.708 2.042 3.395 1.00 0.00 C ATOM 0 H THR A 82 -9.416 0.372 5.494 1.00 0.00 H new ATOM 0 HA THR A 82 -7.208 1.290 4.069 1.00 0.00 H new ATOM 0 HB THR A 82 -8.283 3.472 4.082 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.997 2.265 6.049 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.434 2.794 3.086 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.095 1.756 2.540 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.232 1.165 3.775 1.00 0.00 H new ATOM 1268 N LYS A 83 -7.112 1.852 7.268 1.00 0.00 N ATOM 1269 CA LYS A 83 -6.286 2.348 8.356 1.00 0.00 C ATOM 1270 C LYS A 83 -4.839 1.963 8.086 1.00 0.00 C ATOM 1271 O LYS A 83 -3.920 2.748 8.304 1.00 0.00 O ATOM 1272 CB LYS A 83 -6.755 1.773 9.696 1.00 0.00 C ATOM 1273 CG LYS A 83 -6.075 2.402 10.902 1.00 0.00 C ATOM 1274 CD LYS A 83 -6.603 1.823 12.206 1.00 0.00 C ATOM 1275 CE LYS A 83 -6.200 0.367 12.372 1.00 0.00 C ATOM 1276 NZ LYS A 83 -4.720 0.205 12.429 1.00 0.00 N ATOM 0 H LYS A 83 -7.866 1.229 7.558 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.372 3.433 8.413 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.833 1.912 9.784 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.570 0.699 9.705 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.999 2.239 10.840 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.236 3.480 10.890 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.221 2.405 13.045 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.690 1.906 12.229 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.645 -0.031 13.284 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.598 -0.217 11.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.488 -0.729 12.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.325 0.284 11.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.313 0.947 13.034 1.00 0.00 H new ATOM 1290 N SER A 84 -4.653 0.734 7.607 1.00 0.00 N ATOM 1291 CA SER A 84 -3.345 0.233 7.269 1.00 0.00 C ATOM 1292 C SER A 84 -2.678 1.183 6.286 1.00 0.00 C ATOM 1293 O SER A 84 -1.556 1.641 6.501 1.00 0.00 O ATOM 1294 CB SER A 84 -3.494 -1.150 6.655 1.00 0.00 C ATOM 1295 OG SER A 84 -3.754 -2.126 7.648 1.00 0.00 O ATOM 0 H SER A 84 -5.409 0.069 7.447 1.00 0.00 H new ATOM 0 HA SER A 84 -2.724 0.164 8.162 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.306 -1.142 5.928 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.584 -1.411 6.114 1.00 0.00 H new ATOM 0 HG SER A 84 -2.977 -2.206 8.240 1.00 0.00 H new ATOM 1301 N LEU A 85 -3.395 1.468 5.206 1.00 0.00 N ATOM 1302 CA LEU A 85 -2.933 2.378 4.180 1.00 0.00 C ATOM 1303 C LEU A 85 -2.726 3.780 4.756 1.00 0.00 C ATOM 1304 O LEU A 85 -1.668 4.384 4.582 1.00 0.00 O ATOM 1305 CB LEU A 85 -3.975 2.397 3.071 1.00 0.00 C ATOM 1306 CG LEU A 85 -4.098 1.093 2.295 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -5.194 1.196 1.253 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -2.770 0.751 1.649 1.00 0.00 C ATOM 0 H LEU A 85 -4.316 1.070 5.022 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.973 2.046 3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.945 2.639 3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.730 3.198 2.374 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.365 0.293 2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.268 0.255 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.144 1.406 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.959 2.001 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.865 -0.183 1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.481 1.550 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.008 0.640 2.420 1.00 0.00 H new ATOM 1320 N MET A 86 -3.745 4.289 5.443 1.00 0.00 N ATOM 1321 CA MET A 86 -3.668 5.603 6.071 1.00 0.00 C ATOM 1322 C MET A 86 -2.448 5.668 6.985 1.00 0.00 C ATOM 1323 O MET A 86 -1.639 6.588 6.898 1.00 0.00 O ATOM 1324 CB MET A 86 -4.935 5.877 6.883 1.00 0.00 C ATOM 1325 CG MET A 86 -6.186 6.010 6.034 1.00 0.00 C ATOM 1326 SD MET A 86 -6.770 7.712 5.929 1.00 0.00 S ATOM 1327 CE MET A 86 -5.324 8.521 5.252 1.00 0.00 C ATOM 0 H MET A 86 -4.635 3.810 5.579 1.00 0.00 H new ATOM 0 HA MET A 86 -3.577 6.360 5.292 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.078 5.069 7.601 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.797 6.793 7.457 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.982 5.637 5.031 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.974 5.384 6.453 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.592 9.522 4.913 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.554 8.592 6.020 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.944 7.942 4.410 1.00 0.00 H new ATOM 1337 N ASP A 87 -2.328 4.671 7.860 1.00 0.00 N ATOM 1338 CA ASP A 87 -1.203 4.570 8.786 1.00 0.00 C ATOM 1339 C ASP A 87 0.087 4.162 8.057 1.00 0.00 C ATOM 1340 O ASP A 87 1.162 4.125 8.655 1.00 0.00 O ATOM 1341 CB ASP A 87 -1.520 3.551 9.876 1.00 0.00 C ATOM 1342 CG ASP A 87 -2.628 4.016 10.800 1.00 0.00 C ATOM 1343 OD1 ASP A 87 -3.805 3.979 10.383 1.00 0.00 O ATOM 1344 OD2 ASP A 87 -2.320 4.417 11.942 1.00 0.00 O ATOM 0 H ASP A 87 -3.006 3.913 7.946 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.046 5.552 9.233 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.809 2.607 9.414 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.621 3.357 10.461 1.00 0.00 H new ATOM 1349 N ALA A 88 -0.035 3.861 6.764 1.00 0.00 N ATOM 1350 CA ALA A 88 1.092 3.435 5.945 1.00 0.00 C ATOM 1351 C ALA A 88 2.040 4.578 5.620 1.00 0.00 C ATOM 1352 O ALA A 88 3.205 4.354 5.300 1.00 0.00 O ATOM 1353 CB ALA A 88 0.571 2.823 4.669 1.00 0.00 C ATOM 0 H ALA A 88 -0.919 3.907 6.258 1.00 0.00 H new ATOM 0 HA ALA A 88 1.661 2.702 6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.409 2.502 4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.055 1.963 4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.019 3.561 4.126 1.00 0.00 H new ATOM 1359 N ALA A 89 1.541 5.803 5.679 1.00 0.00 N ATOM 1360 CA ALA A 89 2.369 6.956 5.366 1.00 0.00 C ATOM 1361 C ALA A 89 1.761 8.251 5.891 1.00 0.00 C ATOM 1362 O ALA A 89 2.239 8.844 6.859 1.00 0.00 O ATOM 1363 CB ALA A 89 2.579 7.054 3.849 1.00 0.00 C ATOM 0 H ALA A 89 0.579 6.023 5.937 1.00 0.00 H new ATOM 0 HA ALA A 89 3.330 6.817 5.861 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.200 7.921 3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.072 6.150 3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.614 7.161 3.354 1.00 0.00 H new ATOM 1369 N ASP A 90 0.703 8.668 5.227 1.00 0.00 N ATOM 1370 CA ASP A 90 -0.018 9.897 5.513 1.00 0.00 C ATOM 1371 C ASP A 90 -0.706 9.953 6.876 1.00 0.00 C ATOM 1372 O ASP A 90 -1.896 10.252 6.975 1.00 0.00 O ATOM 1373 CB ASP A 90 -1.036 10.056 4.402 1.00 0.00 C ATOM 1374 CG ASP A 90 -2.194 9.068 4.472 1.00 0.00 C ATOM 1375 OD1 ASP A 90 -2.388 8.430 5.526 1.00 0.00 O ATOM 1376 OD2 ASP A 90 -2.895 8.912 3.451 1.00 0.00 O ATOM 0 H ASP A 90 0.306 8.145 4.447 1.00 0.00 H new ATOM 0 HA ASP A 90 0.706 10.711 5.557 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.435 11.070 4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.532 9.941 3.443 1.00 0.00 H new ATOM 1381 N ASN A 91 0.053 9.708 7.921 1.00 0.00 N ATOM 1382 CA ASN A 91 -0.467 9.747 9.280 1.00 0.00 C ATOM 1383 C ASN A 91 0.302 10.760 10.125 1.00 0.00 C ATOM 1384 O ASN A 91 -0.229 11.315 11.087 1.00 0.00 O ATOM 1385 CB ASN A 91 -0.389 8.349 9.912 1.00 0.00 C ATOM 1386 CG ASN A 91 0.736 7.513 9.365 1.00 0.00 C ATOM 1387 OD1 ASN A 91 0.482 6.877 8.244 1.00 0.00 O flip ATOM 1388 ND2 ASN A 91 1.823 7.449 9.941 1.00 0.00 N flip ATOM 0 H ASN A 91 1.044 9.477 7.859 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.510 10.060 9.244 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -0.266 8.451 10.990 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.333 7.829 9.747 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.971 7.962 10.810 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.575 6.883 9.549 1.00 0.00 H new ATOM 1395 N ASP A 92 1.558 10.992 9.755 1.00 0.00 N ATOM 1396 CA ASP A 92 2.401 11.933 10.477 1.00 0.00 C ATOM 1397 C ASP A 92 1.940 13.374 10.303 1.00 0.00 C ATOM 1398 O ASP A 92 2.324 14.239 11.091 1.00 0.00 O ATOM 1399 CB ASP A 92 3.850 11.798 10.008 1.00 0.00 C ATOM 1400 CG ASP A 92 4.802 12.653 10.818 1.00 0.00 C ATOM 1401 OD1 ASP A 92 4.807 13.887 10.624 1.00 0.00 O ATOM 1402 OD2 ASP A 92 5.544 12.088 11.650 1.00 0.00 O ATOM 0 H ASP A 92 2.012 10.541 8.961 1.00 0.00 H new ATOM 0 HA ASP A 92 2.325 11.689 11.537 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.155 10.754 10.077 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.917 12.081 8.957 1.00 0.00 H new ATOM 1407 N GLY A 93 1.124 13.658 9.289 1.00 0.00 N ATOM 1408 CA GLY A 93 0.639 15.015 9.144 1.00 0.00 C ATOM 1409 C GLY A 93 0.146 15.380 7.753 1.00 0.00 C ATOM 1410 O GLY A 93 0.691 16.284 7.120 1.00 0.00 O ATOM 0 H GLY A 93 0.800 12.993 8.587 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.174 15.171 9.853 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.439 15.702 9.420 1.00 0.00 H new ATOM 1414 N ASP A 94 -0.882 14.688 7.271 1.00 0.00 N ATOM 1415 CA ASP A 94 -1.453 14.988 5.967 1.00 0.00 C ATOM 1416 C ASP A 94 -2.704 14.148 5.723 1.00 0.00 C ATOM 1417 O ASP A 94 -3.827 14.600 5.950 1.00 0.00 O ATOM 1418 CB ASP A 94 -0.412 14.770 4.865 1.00 0.00 C ATOM 1419 CG ASP A 94 -0.996 14.917 3.475 1.00 0.00 C ATOM 1420 OD1 ASP A 94 -1.305 16.060 3.078 1.00 0.00 O ATOM 1421 OD2 ASP A 94 -1.139 13.889 2.781 1.00 0.00 O ATOM 0 H ASP A 94 -1.334 13.918 7.764 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.748 16.037 5.947 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.401 15.485 4.991 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.020 13.775 4.970 1.00 0.00 H new ATOM 1426 N GLY A 95 -2.496 12.926 5.259 1.00 0.00 N ATOM 1427 CA GLY A 95 -3.609 12.020 4.995 1.00 0.00 C ATOM 1428 C GLY A 95 -3.624 11.466 3.577 1.00 0.00 C ATOM 1429 O GLY A 95 -4.514 10.693 3.224 1.00 0.00 O ATOM 0 H GLY A 95 -1.574 12.538 5.058 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -3.565 11.190 5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.546 12.546 5.180 1.00 0.00 H new ATOM 1433 N LYS A 96 -2.651 11.865 2.760 1.00 0.00 N ATOM 1434 CA LYS A 96 -2.567 11.376 1.382 1.00 0.00 C ATOM 1435 C LYS A 96 -1.395 10.405 1.206 1.00 0.00 C ATOM 1436 O LYS A 96 -0.289 10.664 1.668 1.00 0.00 O ATOM 1437 CB LYS A 96 -2.467 12.572 0.408 1.00 0.00 C ATOM 1438 CG LYS A 96 -1.370 12.502 -0.659 1.00 0.00 C ATOM 1439 CD LYS A 96 0.027 12.609 -0.064 1.00 0.00 C ATOM 1440 CE LYS A 96 0.899 13.575 -0.852 1.00 0.00 C ATOM 1441 NZ LYS A 96 0.393 14.973 -0.773 1.00 0.00 N ATOM 0 H LYS A 96 -1.915 12.520 3.024 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.475 10.819 1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.427 12.680 -0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.313 13.477 0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.458 11.563 -1.205 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.517 13.306 -1.380 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.043 12.942 0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.494 11.624 -0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.919 13.536 -0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.937 13.261 -1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.175 15.636 -0.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.349 15.115 -1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.001 15.147 0.174 1.00 0.00 H new ATOM 1455 N ILE A 97 -1.635 9.311 0.493 1.00 0.00 N ATOM 1456 CA ILE A 97 -0.588 8.337 0.248 1.00 0.00 C ATOM 1457 C ILE A 97 -0.067 8.468 -1.166 1.00 0.00 C ATOM 1458 O ILE A 97 -0.628 7.897 -2.096 1.00 0.00 O ATOM 1459 CB ILE A 97 -1.086 6.886 0.384 1.00 0.00 C ATOM 1460 CG1 ILE A 97 -1.757 6.656 1.723 1.00 0.00 C ATOM 1461 CG2 ILE A 97 0.075 5.918 0.206 1.00 0.00 C ATOM 1462 CD1 ILE A 97 -0.875 7.011 2.883 1.00 0.00 C ATOM 0 H ILE A 97 -2.538 9.081 0.079 1.00 0.00 H new ATOM 0 HA ILE A 97 0.182 8.539 0.993 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.826 6.708 -0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.671 7.248 1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.050 5.609 1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -0.286 4.894 0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.515 6.055 -0.782 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.830 6.111 0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.408 6.826 3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.028 6.401 2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.603 8.065 2.824 1.00 0.00 H new ATOM 1474 N GLY A 98 1.009 9.205 -1.326 1.00 0.00 N ATOM 1475 CA GLY A 98 1.624 9.333 -2.620 1.00 0.00 C ATOM 1476 C GLY A 98 2.981 8.684 -2.630 1.00 0.00 C ATOM 1477 O GLY A 98 3.496 8.302 -1.585 1.00 0.00 O ATOM 0 H GLY A 98 1.472 9.721 -0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.989 8.872 -3.377 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.718 10.387 -2.881 1.00 0.00 H new ATOM 1481 N ALA A 99 3.569 8.553 -3.804 1.00 0.00 N ATOM 1482 CA ALA A 99 4.889 7.934 -3.897 1.00 0.00 C ATOM 1483 C ALA A 99 5.836 8.632 -2.919 1.00 0.00 C ATOM 1484 O ALA A 99 6.634 7.994 -2.236 1.00 0.00 O ATOM 1485 CB ALA A 99 5.415 8.015 -5.319 1.00 0.00 C ATOM 0 H ALA A 99 3.169 8.857 -4.692 1.00 0.00 H new ATOM 0 HA ALA A 99 4.819 6.879 -3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.399 7.549 -5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.732 7.494 -5.990 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.492 9.060 -5.619 1.00 0.00 H new ATOM 1491 N ASP A 100 5.717 9.955 -2.864 1.00 0.00 N ATOM 1492 CA ASP A 100 6.514 10.771 -1.954 1.00 0.00 C ATOM 1493 C ASP A 100 6.209 10.406 -0.501 1.00 0.00 C ATOM 1494 O ASP A 100 7.115 10.104 0.275 1.00 0.00 O ATOM 1495 CB ASP A 100 6.232 12.256 -2.189 1.00 0.00 C ATOM 1496 CG ASP A 100 6.435 12.666 -3.635 1.00 0.00 C ATOM 1497 OD1 ASP A 100 7.597 12.900 -4.029 1.00 0.00 O ATOM 1498 OD2 ASP A 100 5.431 12.754 -4.373 1.00 0.00 O ATOM 0 H ASP A 100 5.070 10.489 -3.445 1.00 0.00 H new ATOM 0 HA ASP A 100 7.568 10.575 -2.150 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.207 12.479 -1.892 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.885 12.852 -1.551 1.00 0.00 H new ATOM 1503 N GLU A 101 4.924 10.429 -0.142 1.00 0.00 N ATOM 1504 CA GLU A 101 4.496 10.087 1.210 1.00 0.00 C ATOM 1505 C GLU A 101 4.919 8.664 1.529 1.00 0.00 C ATOM 1506 O GLU A 101 5.535 8.399 2.560 1.00 0.00 O ATOM 1507 CB GLU A 101 2.977 10.219 1.350 1.00 0.00 C ATOM 1508 CG GLU A 101 2.526 11.022 2.564 1.00 0.00 C ATOM 1509 CD GLU A 101 3.438 10.875 3.772 1.00 0.00 C ATOM 1510 OE1 GLU A 101 3.352 9.838 4.458 1.00 0.00 O ATOM 1511 OE2 GLU A 101 4.241 11.798 4.025 1.00 0.00 O ATOM 0 H GLU A 101 4.163 10.682 -0.772 1.00 0.00 H new ATOM 0 HA GLU A 101 4.966 10.777 1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.581 10.690 0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.541 9.222 1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.469 12.075 2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 101 1.519 10.709 2.841 1.00 0.00 H new ATOM 1518 N PHE A 102 4.576 7.748 0.631 1.00 0.00 N ATOM 1519 CA PHE A 102 4.941 6.352 0.793 1.00 0.00 C ATOM 1520 C PHE A 102 6.447 6.229 1.033 1.00 0.00 C ATOM 1521 O PHE A 102 6.881 5.510 1.934 1.00 0.00 O ATOM 1522 CB PHE A 102 4.519 5.537 -0.439 1.00 0.00 C ATOM 1523 CG PHE A 102 4.712 4.056 -0.253 1.00 0.00 C ATOM 1524 CD1 PHE A 102 5.978 3.519 -0.078 1.00 0.00 C ATOM 1525 CD2 PHE A 102 3.620 3.203 -0.231 1.00 0.00 C ATOM 1526 CE1 PHE A 102 6.152 2.166 0.114 1.00 0.00 C ATOM 1527 CE2 PHE A 102 3.788 1.845 -0.043 1.00 0.00 C ATOM 1528 CZ PHE A 102 5.056 1.325 0.132 1.00 0.00 C ATOM 0 H PHE A 102 4.045 7.950 -0.216 1.00 0.00 H new ATOM 0 HA PHE A 102 4.416 5.950 1.660 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.470 5.737 -0.660 1.00 0.00 H new ATOM 0 HB3 PHE A 102 5.095 5.868 -1.303 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.840 4.170 -0.092 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.626 3.605 -0.362 1.00 0.00 H new ATOM 0 HE1 PHE A 102 7.145 1.763 0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.929 1.190 -0.033 1.00 0.00 H new ATOM 0 HZ PHE A 102 5.190 0.264 0.282 1.00 0.00 H new ATOM 1538 N GLN A 103 7.239 6.932 0.223 1.00 0.00 N ATOM 1539 CA GLN A 103 8.697 6.904 0.367 1.00 0.00 C ATOM 1540 C GLN A 103 9.114 7.308 1.778 1.00 0.00 C ATOM 1541 O GLN A 103 10.147 6.868 2.277 1.00 0.00 O ATOM 1542 CB GLN A 103 9.360 7.840 -0.644 1.00 0.00 C ATOM 1543 CG GLN A 103 9.219 7.386 -2.078 1.00 0.00 C ATOM 1544 CD GLN A 103 10.496 6.789 -2.631 1.00 0.00 C ATOM 1545 OE1 GLN A 103 11.273 6.168 -1.904 1.00 0.00 O ATOM 1546 NE2 GLN A 103 10.723 6.979 -3.925 1.00 0.00 N ATOM 0 H GLN A 103 6.900 7.524 -0.535 1.00 0.00 H new ATOM 0 HA GLN A 103 9.026 5.882 0.178 1.00 0.00 H new ATOM 0 HB2 GLN A 103 8.926 8.835 -0.543 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.419 7.928 -0.403 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.420 6.648 -2.144 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.922 8.234 -2.696 1.00 0.00 H new ATOM 0 HE21 GLN A 103 10.052 7.500 -4.489 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.569 6.604 -4.355 1.00 0.00 H new ATOM 1555 N GLU A 104 8.310 8.158 2.416 1.00 0.00 N ATOM 1556 CA GLU A 104 8.623 8.623 3.769 1.00 0.00 C ATOM 1557 C GLU A 104 8.657 7.469 4.769 1.00 0.00 C ATOM 1558 O GLU A 104 9.545 7.401 5.619 1.00 0.00 O ATOM 1559 CB GLU A 104 7.613 9.676 4.233 1.00 0.00 C ATOM 1560 CG GLU A 104 7.582 10.920 3.362 1.00 0.00 C ATOM 1561 CD GLU A 104 8.947 11.566 3.219 1.00 0.00 C ATOM 1562 OE1 GLU A 104 9.289 12.424 4.059 1.00 0.00 O ATOM 1563 OE2 GLU A 104 9.674 11.213 2.267 1.00 0.00 O ATOM 0 H GLU A 104 7.447 8.536 2.025 1.00 0.00 H new ATOM 0 HA GLU A 104 9.615 9.072 3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.619 9.230 4.249 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.849 9.966 5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.203 10.658 2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.886 11.641 3.790 1.00 0.00 H new ATOM 1570 N MET A 105 7.689 6.567 4.666 1.00 0.00 N ATOM 1571 CA MET A 105 7.602 5.427 5.574 1.00 0.00 C ATOM 1572 C MET A 105 8.855 4.559 5.513 1.00 0.00 C ATOM 1573 O MET A 105 9.501 4.320 6.534 1.00 0.00 O ATOM 1574 CB MET A 105 6.375 4.585 5.248 1.00 0.00 C ATOM 1575 CG MET A 105 5.850 3.806 6.439 1.00 0.00 C ATOM 1576 SD MET A 105 6.973 2.496 6.963 1.00 0.00 S ATOM 1577 CE MET A 105 6.009 1.715 8.255 1.00 0.00 C ATOM 0 H MET A 105 6.952 6.602 3.962 1.00 0.00 H new ATOM 0 HA MET A 105 7.515 5.821 6.587 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.586 5.236 4.871 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.623 3.888 4.447 1.00 0.00 H new ATOM 0 HG2 MET A 105 5.683 4.490 7.271 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.883 3.371 6.186 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.573 0.883 8.677 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.793 2.442 9.038 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.073 1.344 7.837 1.00 0.00 H new ATOM 1587 N VAL A 106 9.197 4.089 4.318 1.00 0.00 N ATOM 1588 CA VAL A 106 10.376 3.250 4.148 1.00 0.00 C ATOM 1589 C VAL A 106 11.614 3.964 4.672 1.00 0.00 C ATOM 1590 O VAL A 106 12.567 3.332 5.128 1.00 0.00 O ATOM 1591 CB VAL A 106 10.601 2.877 2.671 1.00 0.00 C ATOM 1592 CG1 VAL A 106 10.662 4.130 1.825 1.00 0.00 C ATOM 1593 CG2 VAL A 106 11.866 2.038 2.496 1.00 0.00 C ATOM 0 H VAL A 106 8.678 4.273 3.459 1.00 0.00 H new ATOM 0 HA VAL A 106 10.205 2.335 4.716 1.00 0.00 H new ATOM 0 HB VAL A 106 9.759 2.269 2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.821 3.857 0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.724 4.678 1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 106 11.485 4.759 2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.996 1.791 1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.729 2.604 2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.776 1.119 3.075 1.00 0.00 H new ATOM 1603 N HIS A 107 11.588 5.289 4.600 1.00 0.00 N ATOM 1604 CA HIS A 107 12.698 6.103 5.074 1.00 0.00 C ATOM 1605 C HIS A 107 12.629 6.267 6.587 1.00 0.00 C ATOM 1606 O HIS A 107 13.432 5.694 7.324 1.00 0.00 O ATOM 1607 CB HIS A 107 12.675 7.473 4.397 1.00 0.00 C ATOM 1608 CG HIS A 107 13.769 8.386 4.859 1.00 0.00 C ATOM 1609 ND1 HIS A 107 13.541 9.493 5.651 1.00 0.00 N ATOM 1610 CD2 HIS A 107 15.104 8.354 4.636 1.00 0.00 C ATOM 1611 CE1 HIS A 107 14.689 10.102 5.893 1.00 0.00 C ATOM 1612 NE2 HIS A 107 15.652 9.430 5.290 1.00 0.00 N ATOM 0 H HIS A 107 10.808 5.823 4.217 1.00 0.00 H new ATOM 0 HA HIS A 107 13.630 5.599 4.820 1.00 0.00 H new ATOM 0 HB2 HIS A 107 12.756 7.338 3.318 1.00 0.00 H new ATOM 0 HB3 HIS A 107 11.712 7.947 4.587 1.00 0.00 H new ATOM 0 HD2 HIS A 107 15.638 7.619 4.052 1.00 0.00 H new ATOM 0 HE1 HIS A 107 14.817 10.997 6.484 1.00 0.00 H new ATOM 0 HE2 HIS A 107 16.643 9.671 5.307 1.00 0.00 H new ATOM 1621 N SER A 108 11.660 7.058 7.044 1.00 0.00 N ATOM 1622 CA SER A 108 11.468 7.302 8.471 1.00 0.00 C ATOM 1623 C SER A 108 12.796 7.555 9.181 1.00 0.00 C ATOM 1624 O SER A 108 13.407 6.577 9.659 1.00 0.00 O ATOM 1625 CB SER A 108 10.747 6.116 9.111 1.00 0.00 C ATOM 1626 OG SER A 108 10.515 6.341 10.491 1.00 0.00 O ATOM 1627 OXT SER A 108 13.212 8.731 9.253 1.00 0.00 O ATOM 0 H SER A 108 10.993 7.542 6.443 1.00 0.00 H new ATOM 0 HA SER A 108 10.857 8.198 8.579 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.798 5.947 8.603 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.343 5.212 8.982 1.00 0.00 H new ATOM 0 HG SER A 108 10.051 5.568 10.875 1.00 0.00 H new TER 1633 SER A 108