USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 635 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 NoAdj-H: A 44 HIS HD1 : A 44 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -95:sc= 0.0562 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 62:sc= 0.0627 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 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.0331 K(o=-0.033,f=-1.5!) USER MOD Single : A 25 MET CE :methyl 159:sc= -2.2 (180deg=-4.28!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc=-0.000414 K(o=-0.00041,f=-1.5) USER MOD Single : A 32 GLN : amide:sc= -0.787 K(o=-0.79,f=-4.7!) USER MOD Single : A 37 GLN : amide:sc= -2.6 K(o=-2.6,f=-0.44) USER MOD Single : A 40 HIS : no HD1:sc= -7.26! K(o=-7.3!,f=-4.5) USER MOD Single : A 41 ASN : amide:sc= -0.128 K(o=-0.13,f=-3.9!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -5.39! C(o=-5.4!,f=-15!) USER MOD Single : A 48 HIS : no HE2:sc= -6.62 K(o=-6.6,f=-9.5!) USER MOD Single : A 49 LYS NZ :NH3+ 157:sc= -0.0915 (180deg=-0.541) USER MOD Single : A 51 GLN : amide:sc= -0.0259 K(o=-0.026,f=-1.1) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.66 K(o=-1.7,f=-0.73) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.527 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -1.82! K(o=-1.8!,f=-0.66) USER MOD Single : A 73 MET CE :methyl -129:sc= -2.2 (180deg=-6.31!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -122:sc= 0 (180deg=-0.0218) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -3.49! C(o=-3.5!,f=-3.2!) USER MOD Single : A 81 GLN : amide:sc=-0.00352 X(o=-0.0035,f=-0.35) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.035 8.010 27.001 1.00 0.00 N ATOM 2 CA GLY A 1 -7.209 8.216 26.173 1.00 0.00 C ATOM 3 C GLY A 1 -6.881 8.906 24.864 1.00 0.00 C ATOM 4 O GLY A 1 -5.826 9.527 24.729 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.658 7.055 26.837 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.310 8.715 26.757 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.294 8.112 28.003 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.677 7.254 25.966 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.937 8.813 26.722 1.00 0.00 H new ATOM 8 N SER A 2 -7.785 8.796 23.896 1.00 0.00 N ATOM 9 CA SER A 2 -7.584 9.410 22.589 1.00 0.00 C ATOM 10 C SER A 2 -7.352 10.912 22.724 1.00 0.00 C ATOM 11 O SER A 2 -8.077 11.601 23.441 1.00 0.00 O ATOM 12 CB SER A 2 -8.793 9.149 21.688 1.00 0.00 C ATOM 13 OG SER A 2 -8.789 7.817 21.204 1.00 0.00 O ATOM 0 H SER A 2 -8.664 8.287 23.992 1.00 0.00 H new ATOM 0 HA SER A 2 -6.699 8.962 22.137 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.712 9.335 22.244 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.782 9.844 20.849 1.00 0.00 H new ATOM 0 HG SER A 2 -9.572 7.674 20.632 1.00 0.00 H new ATOM 19 N SER A 3 -6.335 11.412 22.029 1.00 0.00 N ATOM 20 CA SER A 3 -6.004 12.831 22.073 1.00 0.00 C ATOM 21 C SER A 3 -5.714 13.366 20.674 1.00 0.00 C ATOM 22 O SER A 3 -4.769 12.932 20.015 1.00 0.00 O ATOM 23 CB SER A 3 -4.795 13.066 22.982 1.00 0.00 C ATOM 24 OG SER A 3 -5.063 12.641 24.307 1.00 0.00 O ATOM 0 H SER A 3 -5.726 10.855 21.429 1.00 0.00 H new ATOM 0 HA SER A 3 -6.863 13.367 22.476 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.932 12.527 22.591 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.536 14.125 22.982 1.00 0.00 H new ATOM 0 HG SER A 3 -5.251 11.679 24.310 1.00 0.00 H new ATOM 30 N GLY A 4 -6.534 14.311 20.226 1.00 0.00 N ATOM 31 CA GLY A 4 -6.350 14.890 18.908 1.00 0.00 C ATOM 32 C GLY A 4 -5.308 15.990 18.898 1.00 0.00 C ATOM 33 O GLY A 4 -4.345 15.949 19.664 1.00 0.00 O ATOM 0 H GLY A 4 -7.323 14.686 20.752 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.054 14.108 18.209 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.300 15.291 18.555 1.00 0.00 H new ATOM 37 N SER A 5 -5.499 16.976 18.027 1.00 0.00 N ATOM 38 CA SER A 5 -4.564 18.090 17.917 1.00 0.00 C ATOM 39 C SER A 5 -5.310 19.417 17.818 1.00 0.00 C ATOM 40 O SER A 5 -6.536 19.446 17.714 1.00 0.00 O ATOM 41 CB SER A 5 -3.662 17.907 16.695 1.00 0.00 C ATOM 42 OG SER A 5 -2.473 18.667 16.821 1.00 0.00 O ATOM 0 H SER A 5 -6.292 17.026 17.388 1.00 0.00 H new ATOM 0 HA SER A 5 -3.948 18.105 18.816 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.413 16.852 16.578 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.197 18.210 15.795 1.00 0.00 H new ATOM 0 HG SER A 5 -1.913 18.532 16.028 1.00 0.00 H new ATOM 48 N SER A 6 -4.560 20.514 17.852 1.00 0.00 N ATOM 49 CA SER A 6 -5.149 21.846 17.770 1.00 0.00 C ATOM 50 C SER A 6 -4.456 22.682 16.699 1.00 0.00 C ATOM 51 O SER A 6 -4.175 23.862 16.902 1.00 0.00 O ATOM 52 CB SER A 6 -5.057 22.552 19.124 1.00 0.00 C ATOM 53 OG SER A 6 -5.624 21.759 20.152 1.00 0.00 O ATOM 0 H SER A 6 -3.543 20.507 17.936 1.00 0.00 H new ATOM 0 HA SER A 6 -6.198 21.736 17.497 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.013 22.763 19.357 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.573 23.511 19.074 1.00 0.00 H new ATOM 0 HG SER A 6 -5.551 22.232 21.007 1.00 0.00 H new ATOM 59 N GLY A 7 -4.182 22.059 15.556 1.00 0.00 N ATOM 60 CA GLY A 7 -3.523 22.760 14.470 1.00 0.00 C ATOM 61 C GLY A 7 -4.452 23.023 13.302 1.00 0.00 C ATOM 62 O GLY A 7 -4.238 22.513 12.202 1.00 0.00 O ATOM 0 H GLY A 7 -4.405 21.082 15.364 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.130 23.708 14.839 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.671 22.174 14.127 1.00 0.00 H new ATOM 66 N ALA A 8 -5.488 23.821 13.540 1.00 0.00 N ATOM 67 CA ALA A 8 -6.454 24.151 12.499 1.00 0.00 C ATOM 68 C ALA A 8 -5.751 24.571 11.212 1.00 0.00 C ATOM 69 O ALA A 8 -6.105 24.118 10.124 1.00 0.00 O ATOM 70 CB ALA A 8 -7.389 25.252 12.976 1.00 0.00 C ATOM 0 H ALA A 8 -5.680 24.251 14.445 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.042 23.258 12.287 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.105 25.488 12.189 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.924 24.915 13.864 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.809 26.143 13.218 1.00 0.00 H new ATOM 76 N ASP A 9 -4.755 25.441 11.344 1.00 0.00 N ATOM 77 CA ASP A 9 -4.003 25.922 10.192 1.00 0.00 C ATOM 78 C ASP A 9 -3.749 24.793 9.198 1.00 0.00 C ATOM 79 O ASP A 9 -3.425 23.671 9.588 1.00 0.00 O ATOM 80 CB ASP A 9 -2.673 26.530 10.642 1.00 0.00 C ATOM 81 CG ASP A 9 -2.001 25.714 11.728 1.00 0.00 C ATOM 82 OD1 ASP A 9 -1.736 24.516 11.492 1.00 0.00 O ATOM 83 OD2 ASP A 9 -1.739 26.272 12.813 1.00 0.00 O ATOM 0 H ASP A 9 -4.450 25.827 12.238 1.00 0.00 H new ATOM 0 HA ASP A 9 -4.597 26.691 9.697 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.004 26.609 9.785 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.845 27.543 11.006 1.00 0.00 H new ATOM 88 N ASP A 10 -3.900 25.097 7.914 1.00 0.00 N ATOM 89 CA ASP A 10 -3.688 24.108 6.864 1.00 0.00 C ATOM 90 C ASP A 10 -2.604 24.569 5.894 1.00 0.00 C ATOM 91 O ASP A 10 -2.861 25.367 4.993 1.00 0.00 O ATOM 92 CB ASP A 10 -4.991 23.850 6.105 1.00 0.00 C ATOM 93 CG ASP A 10 -5.505 25.089 5.400 1.00 0.00 C ATOM 94 OD1 ASP A 10 -5.091 26.204 5.780 1.00 0.00 O ATOM 95 OD2 ASP A 10 -6.322 24.944 4.466 1.00 0.00 O ATOM 0 H ASP A 10 -4.169 26.021 7.575 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.360 23.181 7.334 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.831 23.059 5.373 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.749 23.491 6.801 1.00 0.00 H new ATOM 100 N PHE A 11 -1.391 24.062 6.087 1.00 0.00 N ATOM 101 CA PHE A 11 -0.266 24.423 5.231 1.00 0.00 C ATOM 102 C PHE A 11 -0.317 23.654 3.914 1.00 0.00 C ATOM 103 O PHE A 11 -0.613 24.222 2.863 1.00 0.00 O ATOM 104 CB PHE A 11 1.057 24.144 5.947 1.00 0.00 C ATOM 105 CG PHE A 11 0.953 24.204 7.444 1.00 0.00 C ATOM 106 CD1 PHE A 11 0.518 23.104 8.165 1.00 0.00 C ATOM 107 CD2 PHE A 11 1.290 25.360 8.129 1.00 0.00 C ATOM 108 CE1 PHE A 11 0.421 23.155 9.543 1.00 0.00 C ATOM 109 CE2 PHE A 11 1.195 25.417 9.507 1.00 0.00 C ATOM 110 CZ PHE A 11 0.759 24.313 10.215 1.00 0.00 C ATOM 0 H PHE A 11 -1.161 23.400 6.828 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.335 25.489 5.012 1.00 0.00 H new ATOM 0 HB2 PHE A 11 1.418 23.158 5.655 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.801 24.867 5.613 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.252 22.196 7.644 1.00 0.00 H new ATOM 0 HD2 PHE A 11 1.631 26.226 7.581 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.081 22.290 10.093 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.461 26.324 10.030 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.683 24.356 11.291 1.00 0.00 H new ATOM 120 N ALA A 12 -0.024 22.360 3.979 1.00 0.00 N ATOM 121 CA ALA A 12 -0.037 21.512 2.793 1.00 0.00 C ATOM 122 C ALA A 12 -1.249 20.587 2.793 1.00 0.00 C ATOM 123 O ALA A 12 -1.440 19.800 1.867 1.00 0.00 O ATOM 124 CB ALA A 12 1.248 20.702 2.710 1.00 0.00 C ATOM 0 H ALA A 12 0.226 21.875 4.841 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.105 22.156 1.916 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.225 20.073 1.820 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.101 21.378 2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.340 20.073 3.596 1.00 0.00 H new ATOM 130 N MET A 13 -2.065 20.688 3.837 1.00 0.00 N ATOM 131 CA MET A 13 -3.260 19.860 3.956 1.00 0.00 C ATOM 132 C MET A 13 -4.262 20.191 2.854 1.00 0.00 C ATOM 133 O MET A 13 -5.009 19.324 2.403 1.00 0.00 O ATOM 134 CB MET A 13 -3.908 20.057 5.327 1.00 0.00 C ATOM 135 CG MET A 13 -4.596 18.809 5.859 1.00 0.00 C ATOM 136 SD MET A 13 -6.022 19.190 6.894 1.00 0.00 S ATOM 137 CE MET A 13 -7.356 18.563 5.877 1.00 0.00 C ATOM 0 H MET A 13 -1.921 21.335 4.613 1.00 0.00 H new ATOM 0 HA MET A 13 -2.962 18.817 3.850 1.00 0.00 H new ATOM 0 HB2 MET A 13 -3.145 20.373 6.039 1.00 0.00 H new ATOM 0 HB3 MET A 13 -4.637 20.865 5.263 1.00 0.00 H new ATOM 0 HG2 MET A 13 -4.915 18.190 5.021 1.00 0.00 H new ATOM 0 HG3 MET A 13 -3.881 18.222 6.435 1.00 0.00 H new ATOM 0 HE1 MET A 13 -8.307 18.726 6.384 1.00 0.00 H new ATOM 0 HE2 MET A 13 -7.360 19.085 4.920 1.00 0.00 H new ATOM 0 HE3 MET A 13 -7.214 17.496 5.707 1.00 0.00 H new ATOM 147 N GLU A 14 -4.272 21.450 2.428 1.00 0.00 N ATOM 148 CA GLU A 14 -5.184 21.894 1.380 1.00 0.00 C ATOM 149 C GLU A 14 -5.260 20.866 0.254 1.00 0.00 C ATOM 150 O GLU A 14 -6.303 20.252 0.030 1.00 0.00 O ATOM 151 CB GLU A 14 -4.736 23.246 0.822 1.00 0.00 C ATOM 152 CG GLU A 14 -4.657 24.342 1.872 1.00 0.00 C ATOM 153 CD GLU A 14 -3.272 24.475 2.474 1.00 0.00 C ATOM 154 OE1 GLU A 14 -2.918 23.642 3.335 1.00 0.00 O ATOM 155 OE2 GLU A 14 -2.542 25.410 2.085 1.00 0.00 O ATOM 0 H GLU A 14 -3.660 22.180 2.792 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.176 22.001 1.819 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.758 23.131 0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.429 23.554 0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.946 25.292 1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.375 24.133 2.665 1.00 0.00 H new ATOM 162 N MET A 15 -4.148 20.687 -0.451 1.00 0.00 N ATOM 163 CA MET A 15 -4.088 19.734 -1.554 1.00 0.00 C ATOM 164 C MET A 15 -4.117 18.300 -1.035 1.00 0.00 C ATOM 165 O MET A 15 -4.540 17.383 -1.738 1.00 0.00 O ATOM 166 CB MET A 15 -2.825 19.962 -2.385 1.00 0.00 C ATOM 167 CG MET A 15 -2.986 21.030 -3.455 1.00 0.00 C ATOM 168 SD MET A 15 -1.761 20.886 -4.770 1.00 0.00 S ATOM 169 CE MET A 15 -2.808 20.477 -6.165 1.00 0.00 C ATOM 0 H MET A 15 -3.277 21.189 -0.279 1.00 0.00 H new ATOM 0 HA MET A 15 -4.963 19.891 -2.185 1.00 0.00 H new ATOM 0 HB2 MET A 15 -2.009 20.245 -1.720 1.00 0.00 H new ATOM 0 HB3 MET A 15 -2.538 19.024 -2.860 1.00 0.00 H new ATOM 0 HG2 MET A 15 -3.985 20.960 -3.885 1.00 0.00 H new ATOM 0 HG3 MET A 15 -2.905 22.015 -2.995 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.194 20.356 -7.057 1.00 0.00 H new ATOM 0 HE2 MET A 15 -3.339 19.547 -5.961 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.528 21.279 -6.327 1.00 0.00 H new ATOM 179 N GLY A 16 -3.665 18.113 0.201 1.00 0.00 N ATOM 180 CA GLY A 16 -3.648 16.787 0.793 1.00 0.00 C ATOM 181 C GLY A 16 -2.661 15.861 0.110 1.00 0.00 C ATOM 182 O GLY A 16 -3.039 14.803 -0.396 1.00 0.00 O ATOM 0 H GLY A 16 -3.310 18.856 0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.395 16.867 1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.647 16.354 0.737 1.00 0.00 H new ATOM 186 N LEU A 17 -1.393 16.258 0.093 1.00 0.00 N ATOM 187 CA LEU A 17 -0.349 15.456 -0.534 1.00 0.00 C ATOM 188 C LEU A 17 0.666 14.978 0.499 1.00 0.00 C ATOM 189 O LEU A 17 1.820 14.705 0.171 1.00 0.00 O ATOM 190 CB LEU A 17 0.358 16.265 -1.623 1.00 0.00 C ATOM 191 CG LEU A 17 0.849 17.655 -1.215 1.00 0.00 C ATOM 192 CD1 LEU A 17 2.104 18.026 -1.989 1.00 0.00 C ATOM 193 CD2 LEU A 17 -0.242 18.692 -1.435 1.00 0.00 C ATOM 0 H LEU A 17 -1.064 17.130 0.506 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.819 14.582 -0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.213 15.689 -1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.324 16.376 -2.466 1.00 0.00 H new ATOM 0 HG LEU A 17 1.094 17.635 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.439 19.018 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.889 17.299 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.886 18.028 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.125 19.675 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.519 18.710 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.115 18.435 -0.835 1.00 0.00 H new ATOM 205 N ALA A 18 0.226 14.878 1.750 1.00 0.00 N ATOM 206 CA ALA A 18 1.095 14.429 2.831 1.00 0.00 C ATOM 207 C ALA A 18 0.627 13.089 3.390 1.00 0.00 C ATOM 208 O ALA A 18 -0.571 12.860 3.559 1.00 0.00 O ATOM 209 CB ALA A 18 1.147 15.474 3.935 1.00 0.00 C ATOM 0 H ALA A 18 -0.726 15.102 2.039 1.00 0.00 H new ATOM 0 HA ALA A 18 2.098 14.294 2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.799 15.125 4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.535 16.410 3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.144 15.637 4.329 1.00 0.00 H new ATOM 215 N CYS A 19 1.579 12.207 3.674 1.00 0.00 N ATOM 216 CA CYS A 19 1.265 10.889 4.213 1.00 0.00 C ATOM 217 C CYS A 19 0.606 11.006 5.585 1.00 0.00 C ATOM 218 O CYS A 19 0.344 12.107 6.068 1.00 0.00 O ATOM 219 CB CYS A 19 2.535 10.042 4.316 1.00 0.00 C ATOM 220 SG CYS A 19 3.444 10.251 5.881 1.00 0.00 S ATOM 0 H CYS A 19 2.575 12.381 3.540 1.00 0.00 H new ATOM 0 HA CYS A 19 0.566 10.402 3.533 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.268 8.991 4.201 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.196 10.296 3.488 1.00 0.00 H new ATOM 225 N VAL A 20 0.340 9.861 6.206 1.00 0.00 N ATOM 226 CA VAL A 20 -0.287 9.834 7.522 1.00 0.00 C ATOM 227 C VAL A 20 0.722 9.467 8.605 1.00 0.00 C ATOM 228 O VAL A 20 0.517 9.757 9.783 1.00 0.00 O ATOM 229 CB VAL A 20 -1.456 8.832 7.566 1.00 0.00 C ATOM 230 CG1 VAL A 20 -1.095 7.556 6.821 1.00 0.00 C ATOM 231 CG2 VAL A 20 -1.843 8.527 9.005 1.00 0.00 C ATOM 0 H VAL A 20 0.549 8.941 5.819 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.669 10.837 7.710 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.316 9.283 7.070 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.933 6.861 6.863 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.872 7.793 5.781 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.221 7.099 7.285 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.670 7.817 9.017 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.989 8.097 9.528 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.147 9.448 9.503 1.00 0.00 H new ATOM 241 N VAL A 21 1.814 8.828 8.196 1.00 0.00 N ATOM 242 CA VAL A 21 2.857 8.422 9.131 1.00 0.00 C ATOM 243 C VAL A 21 3.544 9.635 9.748 1.00 0.00 C ATOM 244 O VAL A 21 3.305 9.975 10.907 1.00 0.00 O ATOM 245 CB VAL A 21 3.916 7.541 8.442 1.00 0.00 C ATOM 246 CG1 VAL A 21 4.983 7.113 9.437 1.00 0.00 C ATOM 247 CG2 VAL A 21 3.262 6.330 7.794 1.00 0.00 C ATOM 0 H VAL A 21 1.999 8.581 7.224 1.00 0.00 H new ATOM 0 HA VAL A 21 2.371 7.845 9.917 1.00 0.00 H new ATOM 0 HB VAL A 21 4.398 8.127 7.659 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.723 6.491 8.932 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.471 7.996 9.849 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.521 6.544 10.244 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.025 5.719 7.312 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.753 5.740 8.556 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.539 6.662 7.049 1.00 0.00 H new ATOM 257 N CYS A 22 4.398 10.286 8.965 1.00 0.00 N ATOM 258 CA CYS A 22 5.121 11.462 9.433 1.00 0.00 C ATOM 259 C CYS A 22 4.338 12.737 9.133 1.00 0.00 C ATOM 260 O CYS A 22 4.638 13.803 9.671 1.00 0.00 O ATOM 261 CB CYS A 22 6.502 11.533 8.778 1.00 0.00 C ATOM 262 SG CYS A 22 6.466 11.995 7.016 1.00 0.00 S ATOM 0 H CYS A 22 4.606 10.019 8.003 1.00 0.00 H new ATOM 0 HA CYS A 22 5.243 11.376 10.513 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.113 12.255 9.320 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.990 10.564 8.879 1.00 0.00 H new ATOM 267 N ARG A 23 3.334 12.619 8.271 1.00 0.00 N ATOM 268 CA ARG A 23 2.508 13.761 7.898 1.00 0.00 C ATOM 269 C ARG A 23 3.336 14.817 7.172 1.00 0.00 C ATOM 270 O ARG A 23 3.351 15.984 7.562 1.00 0.00 O ATOM 271 CB ARG A 23 1.857 14.373 9.140 1.00 0.00 C ATOM 272 CG ARG A 23 0.969 13.404 9.903 1.00 0.00 C ATOM 273 CD ARG A 23 -0.139 14.131 10.648 1.00 0.00 C ATOM 274 NE ARG A 23 0.280 14.544 11.985 1.00 0.00 N ATOM 275 CZ ARG A 23 0.240 13.747 13.046 1.00 0.00 C ATOM 276 NH1 ARG A 23 -0.197 12.500 12.927 1.00 0.00 N ATOM 277 NH2 ARG A 23 0.638 14.195 14.230 1.00 0.00 N ATOM 0 H ARG A 23 3.073 11.744 7.817 1.00 0.00 H new ATOM 0 HA ARG A 23 1.728 13.409 7.223 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.638 14.738 9.807 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.264 15.237 8.840 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.532 12.686 9.209 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.573 12.836 10.611 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.445 15.008 10.077 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.011 13.481 10.726 1.00 0.00 H new ATOM 0 HE ARG A 23 0.622 15.497 12.110 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.503 12.151 12.019 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.227 11.890 13.744 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.975 15.153 14.326 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.607 13.581 15.044 1.00 0.00 H new ATOM 291 N GLN A 24 4.024 14.397 6.115 1.00 0.00 N ATOM 292 CA GLN A 24 4.855 15.307 5.335 1.00 0.00 C ATOM 293 C GLN A 24 4.645 15.091 3.840 1.00 0.00 C ATOM 294 O GLN A 24 3.981 14.140 3.428 1.00 0.00 O ATOM 295 CB GLN A 24 6.331 15.112 5.688 1.00 0.00 C ATOM 296 CG GLN A 24 6.619 15.210 7.177 1.00 0.00 C ATOM 297 CD GLN A 24 6.627 16.641 7.677 1.00 0.00 C ATOM 298 OE1 GLN A 24 6.771 17.582 6.897 1.00 0.00 O ATOM 299 NE2 GLN A 24 6.474 16.812 8.985 1.00 0.00 N ATOM 0 H GLN A 24 4.023 13.434 5.779 1.00 0.00 H new ATOM 0 HA GLN A 24 4.561 16.328 5.580 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.656 14.136 5.327 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.924 15.860 5.162 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.869 14.641 7.726 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.585 14.750 7.387 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.358 16.003 9.595 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.473 17.753 9.380 1.00 0.00 H new ATOM 308 N MET A 25 5.214 15.980 3.033 1.00 0.00 N ATOM 309 CA MET A 25 5.089 15.886 1.583 1.00 0.00 C ATOM 310 C MET A 25 6.441 15.597 0.938 1.00 0.00 C ATOM 311 O MET A 25 6.522 15.307 -0.256 1.00 0.00 O ATOM 312 CB MET A 25 4.506 17.181 1.015 1.00 0.00 C ATOM 313 CG MET A 25 3.197 17.596 1.666 1.00 0.00 C ATOM 314 SD MET A 25 3.445 18.535 3.185 1.00 0.00 S ATOM 315 CE MET A 25 4.229 20.013 2.545 1.00 0.00 C ATOM 0 H MET A 25 5.766 16.774 3.358 1.00 0.00 H new ATOM 0 HA MET A 25 4.414 15.061 1.354 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.234 17.983 1.139 1.00 0.00 H new ATOM 0 HB3 MET A 25 4.347 17.059 -0.056 1.00 0.00 H new ATOM 0 HG2 MET A 25 2.620 18.196 0.962 1.00 0.00 H new ATOM 0 HG3 MET A 25 2.607 16.706 1.885 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.111 20.826 3.261 1.00 0.00 H new ATOM 0 HE2 MET A 25 5.290 19.822 2.384 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.763 20.292 1.600 1.00 0.00 H new ATOM 325 N THR A 26 7.502 15.677 1.736 1.00 0.00 N ATOM 326 CA THR A 26 8.850 15.425 1.243 1.00 0.00 C ATOM 327 C THR A 26 8.930 14.085 0.522 1.00 0.00 C ATOM 328 O THR A 26 8.694 13.033 1.117 1.00 0.00 O ATOM 329 CB THR A 26 9.879 15.442 2.389 1.00 0.00 C ATOM 330 OG1 THR A 26 9.736 16.640 3.159 1.00 0.00 O ATOM 331 CG2 THR A 26 11.296 15.349 1.844 1.00 0.00 C ATOM 0 H THR A 26 7.453 15.914 2.727 1.00 0.00 H new ATOM 0 HA THR A 26 9.085 16.226 0.542 1.00 0.00 H new ATOM 0 HB THR A 26 9.694 14.578 3.027 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.393 16.642 3.886 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.006 15.363 2.671 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.410 14.421 1.283 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.489 16.196 1.186 1.00 0.00 H new ATOM 339 N VAL A 27 9.266 14.129 -0.764 1.00 0.00 N ATOM 340 CA VAL A 27 9.379 12.917 -1.566 1.00 0.00 C ATOM 341 C VAL A 27 10.642 12.940 -2.421 1.00 0.00 C ATOM 342 O VAL A 27 11.431 13.882 -2.355 1.00 0.00 O ATOM 343 CB VAL A 27 8.155 12.734 -2.483 1.00 0.00 C ATOM 344 CG1 VAL A 27 6.953 12.262 -1.680 1.00 0.00 C ATOM 345 CG2 VAL A 27 7.842 14.029 -3.217 1.00 0.00 C ATOM 0 H VAL A 27 9.465 14.991 -1.272 1.00 0.00 H new ATOM 0 HA VAL A 27 9.430 12.080 -0.869 1.00 0.00 H new ATOM 0 HB VAL A 27 8.388 11.970 -3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.098 12.138 -2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.184 11.309 -1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.714 13.000 -0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.975 13.882 -3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.628 14.815 -2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.699 14.319 -3.824 1.00 0.00 H new ATOM 355 N ALA A 28 10.825 11.897 -3.223 1.00 0.00 N ATOM 356 CA ALA A 28 11.991 11.798 -4.093 1.00 0.00 C ATOM 357 C ALA A 28 11.788 10.730 -5.163 1.00 0.00 C ATOM 358 O ALA A 28 10.971 9.824 -5.002 1.00 0.00 O ATOM 359 CB ALA A 28 13.237 11.498 -3.274 1.00 0.00 C ATOM 0 H ALA A 28 10.181 11.109 -3.289 1.00 0.00 H new ATOM 0 HA ALA A 28 12.122 12.757 -4.594 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.100 11.427 -3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 28 13.399 12.298 -2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 28 13.106 10.554 -2.746 1.00 0.00 H new ATOM 365 N SER A 29 12.537 10.844 -6.255 1.00 0.00 N ATOM 366 CA SER A 29 12.437 9.890 -7.354 1.00 0.00 C ATOM 367 C SER A 29 12.173 8.483 -6.829 1.00 0.00 C ATOM 368 O SER A 29 11.481 7.690 -7.466 1.00 0.00 O ATOM 369 CB SER A 29 13.719 9.904 -8.188 1.00 0.00 C ATOM 370 OG SER A 29 13.910 11.163 -8.809 1.00 0.00 O ATOM 0 H SER A 29 13.220 11.587 -6.403 1.00 0.00 H new ATOM 0 HA SER A 29 11.599 10.187 -7.985 1.00 0.00 H new ATOM 0 HB2 SER A 29 14.573 9.676 -7.551 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.671 9.124 -8.948 1.00 0.00 H new ATOM 0 HG SER A 29 14.737 11.146 -9.335 1.00 0.00 H new ATOM 376 N GLY A 30 12.731 8.179 -5.660 1.00 0.00 N ATOM 377 CA GLY A 30 12.545 6.867 -5.068 1.00 0.00 C ATOM 378 C GLY A 30 11.551 6.883 -3.924 1.00 0.00 C ATOM 379 O GLY A 30 10.669 6.028 -3.848 1.00 0.00 O ATOM 0 H GLY A 30 13.308 8.818 -5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.202 6.172 -5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.504 6.495 -4.707 1.00 0.00 H new ATOM 383 N ASN A 31 11.694 7.857 -3.031 1.00 0.00 N ATOM 384 CA ASN A 31 10.802 7.979 -1.884 1.00 0.00 C ATOM 385 C ASN A 31 9.579 8.822 -2.232 1.00 0.00 C ATOM 386 O ASN A 31 9.522 10.009 -1.914 1.00 0.00 O ATOM 387 CB ASN A 31 11.543 8.601 -0.699 1.00 0.00 C ATOM 388 CG ASN A 31 12.545 7.646 -0.078 1.00 0.00 C ATOM 389 OD1 ASN A 31 12.838 6.588 -0.635 1.00 0.00 O ATOM 390 ND2 ASN A 31 13.075 8.016 1.082 1.00 0.00 N ATOM 0 H ASN A 31 12.419 8.573 -3.080 1.00 0.00 H new ATOM 0 HA ASN A 31 10.466 6.979 -1.610 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.060 9.502 -1.030 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.821 8.908 0.057 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.754 7.414 1.547 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.803 8.902 1.508 1.00 0.00 H new ATOM 397 N GLN A 32 8.605 8.200 -2.888 1.00 0.00 N ATOM 398 CA GLN A 32 7.384 8.893 -3.279 1.00 0.00 C ATOM 399 C GLN A 32 6.251 8.595 -2.303 1.00 0.00 C ATOM 400 O GLN A 32 6.449 7.916 -1.294 1.00 0.00 O ATOM 401 CB GLN A 32 6.973 8.487 -4.695 1.00 0.00 C ATOM 402 CG GLN A 32 7.915 8.998 -5.773 1.00 0.00 C ATOM 403 CD GLN A 32 7.771 10.487 -6.016 1.00 0.00 C ATOM 404 OE1 GLN A 32 7.228 11.214 -5.184 1.00 0.00 O ATOM 405 NE2 GLN A 32 8.258 10.950 -7.162 1.00 0.00 N ATOM 0 H GLN A 32 8.638 7.217 -3.160 1.00 0.00 H new ATOM 0 HA GLN A 32 7.583 9.964 -3.259 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.925 7.400 -4.752 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.969 8.862 -4.894 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.943 8.778 -5.485 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.723 8.462 -6.702 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.700 10.312 -7.823 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.190 11.944 -7.381 1.00 0.00 H new ATOM 414 N LEU A 33 5.063 9.106 -2.608 1.00 0.00 N ATOM 415 CA LEU A 33 3.898 8.894 -1.757 1.00 0.00 C ATOM 416 C LEU A 33 2.938 7.890 -2.387 1.00 0.00 C ATOM 417 O LEU A 33 2.995 7.632 -3.590 1.00 0.00 O ATOM 418 CB LEU A 33 3.176 10.220 -1.509 1.00 0.00 C ATOM 419 CG LEU A 33 3.673 11.043 -0.320 1.00 0.00 C ATOM 420 CD1 LEU A 33 3.212 12.487 -0.440 1.00 0.00 C ATOM 421 CD2 LEU A 33 3.193 10.435 0.989 1.00 0.00 C ATOM 0 H LEU A 33 4.882 9.670 -3.438 1.00 0.00 H new ATOM 0 HA LEU A 33 4.243 8.490 -0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.260 10.830 -2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.116 10.012 -1.363 1.00 0.00 H new ATOM 0 HG LEU A 33 4.763 11.029 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.575 13.057 0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.607 12.920 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.123 12.521 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.557 11.034 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.103 10.416 1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.575 9.418 1.079 1.00 0.00 H new ATOM 433 N VAL A 34 2.057 7.326 -1.567 1.00 0.00 N ATOM 434 CA VAL A 34 1.082 6.353 -2.045 1.00 0.00 C ATOM 435 C VAL A 34 -0.274 6.562 -1.382 1.00 0.00 C ATOM 436 O VAL A 34 -0.361 7.112 -0.284 1.00 0.00 O ATOM 437 CB VAL A 34 1.554 4.911 -1.779 1.00 0.00 C ATOM 438 CG1 VAL A 34 0.657 3.914 -2.498 1.00 0.00 C ATOM 439 CG2 VAL A 34 3.004 4.738 -2.204 1.00 0.00 C ATOM 0 H VAL A 34 1.998 7.526 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 34 0.984 6.504 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 34 1.487 4.717 -0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.006 2.901 -2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.367 4.022 -2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.689 4.104 -3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.321 3.713 -2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.099 4.951 -3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.633 5.426 -1.639 1.00 0.00 H new ATOM 449 N GLU A 35 -1.331 6.120 -2.056 1.00 0.00 N ATOM 450 CA GLU A 35 -2.685 6.260 -1.532 1.00 0.00 C ATOM 451 C GLU A 35 -3.399 4.912 -1.502 1.00 0.00 C ATOM 452 O GLU A 35 -3.406 4.178 -2.491 1.00 0.00 O ATOM 453 CB GLU A 35 -3.483 7.254 -2.378 1.00 0.00 C ATOM 454 CG GLU A 35 -4.956 7.320 -2.011 1.00 0.00 C ATOM 455 CD GLU A 35 -5.809 7.897 -3.124 1.00 0.00 C ATOM 456 OE1 GLU A 35 -5.358 8.862 -3.777 1.00 0.00 O ATOM 457 OE2 GLU A 35 -6.927 7.386 -3.341 1.00 0.00 O ATOM 0 H GLU A 35 -1.276 5.662 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.615 6.637 -0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.045 8.246 -2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.391 6.980 -3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.311 6.319 -1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.076 7.927 -1.114 1.00 0.00 H new ATOM 464 N CYS A 36 -3.998 4.591 -0.360 1.00 0.00 N ATOM 465 CA CYS A 36 -4.714 3.332 -0.199 1.00 0.00 C ATOM 466 C CYS A 36 -6.066 3.381 -0.906 1.00 0.00 C ATOM 467 O CYS A 36 -6.559 4.455 -1.249 1.00 0.00 O ATOM 468 CB CYS A 36 -4.914 3.021 1.285 1.00 0.00 C ATOM 469 SG CYS A 36 -5.851 1.492 1.605 1.00 0.00 S ATOM 0 H CYS A 36 -4.001 5.186 0.468 1.00 0.00 H new ATOM 0 HA CYS A 36 -4.115 2.542 -0.652 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.938 2.943 1.764 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.433 3.857 1.754 1.00 0.00 H new ATOM 474 N GLN A 37 -6.658 2.210 -1.120 1.00 0.00 N ATOM 475 CA GLN A 37 -7.951 2.119 -1.787 1.00 0.00 C ATOM 476 C GLN A 37 -9.068 1.872 -0.777 1.00 0.00 C ATOM 477 O GLN A 37 -10.187 2.353 -0.946 1.00 0.00 O ATOM 478 CB GLN A 37 -7.934 1.001 -2.830 1.00 0.00 C ATOM 479 CG GLN A 37 -6.975 1.258 -3.981 1.00 0.00 C ATOM 480 CD GLN A 37 -7.224 2.589 -4.662 1.00 0.00 C ATOM 481 OE1 GLN A 37 -7.858 2.652 -5.716 1.00 0.00 O ATOM 482 NE2 GLN A 37 -6.725 3.664 -4.063 1.00 0.00 N ATOM 0 H GLN A 37 -6.263 1.312 -0.841 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.141 3.069 -2.287 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.661 0.065 -2.343 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.940 0.872 -3.228 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.951 1.231 -3.609 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.069 0.456 -4.713 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.206 3.567 -3.190 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.861 4.587 -4.475 1.00 0.00 H new ATOM 491 N GLU A 38 -8.754 1.118 0.272 1.00 0.00 N ATOM 492 CA GLU A 38 -9.731 0.806 1.307 1.00 0.00 C ATOM 493 C GLU A 38 -9.934 1.996 2.241 1.00 0.00 C ATOM 494 O GLU A 38 -11.031 2.547 2.335 1.00 0.00 O ATOM 495 CB GLU A 38 -9.284 -0.417 2.111 1.00 0.00 C ATOM 496 CG GLU A 38 -10.437 -1.239 2.662 1.00 0.00 C ATOM 497 CD GLU A 38 -11.387 -1.711 1.579 1.00 0.00 C ATOM 498 OE1 GLU A 38 -12.296 -0.938 1.211 1.00 0.00 O ATOM 499 OE2 GLU A 38 -11.222 -2.852 1.100 1.00 0.00 O ATOM 0 H GLU A 38 -7.831 0.712 0.427 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.680 0.583 0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.667 -1.053 1.476 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.656 -0.087 2.939 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.040 -2.104 3.194 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.988 -0.643 3.389 1.00 0.00 H new ATOM 506 N CYS A 39 -8.867 2.386 2.931 1.00 0.00 N ATOM 507 CA CYS A 39 -8.926 3.510 3.859 1.00 0.00 C ATOM 508 C CYS A 39 -8.779 4.835 3.117 1.00 0.00 C ATOM 509 O CYS A 39 -9.366 5.845 3.507 1.00 0.00 O ATOM 510 CB CYS A 39 -7.829 3.381 4.918 1.00 0.00 C ATOM 511 SG CYS A 39 -7.383 1.661 5.320 1.00 0.00 S ATOM 0 H CYS A 39 -7.952 1.941 2.865 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.899 3.494 4.350 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.939 3.904 4.569 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -8.157 3.882 5.829 1.00 0.00 H new ATOM 516 N HIS A 40 -7.991 4.824 2.047 1.00 0.00 N ATOM 517 CA HIS A 40 -7.767 6.025 1.250 1.00 0.00 C ATOM 518 C HIS A 40 -6.826 6.987 1.970 1.00 0.00 C ATOM 519 O HIS A 40 -6.992 8.204 1.896 1.00 0.00 O ATOM 520 CB HIS A 40 -9.095 6.720 0.952 1.00 0.00 C ATOM 521 CG HIS A 40 -10.182 5.780 0.532 1.00 0.00 C ATOM 522 ND1 HIS A 40 -10.542 5.585 -0.785 1.00 0.00 N ATOM 523 CD2 HIS A 40 -10.989 4.976 1.263 1.00 0.00 C ATOM 524 CE1 HIS A 40 -11.524 4.703 -0.845 1.00 0.00 C ATOM 525 NE2 HIS A 40 -11.814 4.318 0.384 1.00 0.00 N ATOM 0 H HIS A 40 -7.497 3.997 1.712 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.303 5.726 0.310 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -9.419 7.263 1.840 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.941 7.459 0.165 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.985 4.871 2.338 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.007 4.356 -1.746 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.534 3.642 0.639 1.00 0.00 H new ATOM 534 N ASN A 41 -5.839 6.432 2.666 1.00 0.00 N ATOM 535 CA ASN A 41 -4.873 7.241 3.400 1.00 0.00 C ATOM 536 C ASN A 41 -3.547 7.320 2.649 1.00 0.00 C ATOM 537 O ASN A 41 -3.194 6.413 1.894 1.00 0.00 O ATOM 538 CB ASN A 41 -4.647 6.660 4.797 1.00 0.00 C ATOM 539 CG ASN A 41 -5.836 6.877 5.712 1.00 0.00 C ATOM 540 OD1 ASN A 41 -6.817 6.135 5.660 1.00 0.00 O ATOM 541 ND2 ASN A 41 -5.754 7.898 6.558 1.00 0.00 N ATOM 0 H ASN A 41 -5.687 5.426 2.737 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.277 8.249 3.494 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.445 5.592 4.715 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.763 7.119 5.240 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.523 8.092 7.199 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.922 8.487 6.567 1.00 0.00 H new ATOM 548 N LEU A 42 -2.816 8.409 2.862 1.00 0.00 N ATOM 549 CA LEU A 42 -1.528 8.606 2.206 1.00 0.00 C ATOM 550 C LEU A 42 -0.403 7.967 3.013 1.00 0.00 C ATOM 551 O LEU A 42 -0.263 8.218 4.210 1.00 0.00 O ATOM 552 CB LEU A 42 -1.252 10.099 2.019 1.00 0.00 C ATOM 553 CG LEU A 42 -2.126 10.820 0.991 1.00 0.00 C ATOM 554 CD1 LEU A 42 -1.764 12.295 0.925 1.00 0.00 C ATOM 555 CD2 LEU A 42 -1.982 10.171 -0.378 1.00 0.00 C ATOM 0 H LEU A 42 -3.093 9.169 3.484 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.568 8.125 1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.375 10.594 2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.209 10.222 1.729 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.167 10.736 1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.396 12.792 0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.918 12.752 1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.718 12.400 0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.610 10.696 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.941 10.224 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.291 9.127 -0.320 1.00 0.00 H new ATOM 567 N TYR A 43 0.399 7.141 2.349 1.00 0.00 N ATOM 568 CA TYR A 43 1.512 6.466 3.004 1.00 0.00 C ATOM 569 C TYR A 43 2.775 6.545 2.152 1.00 0.00 C ATOM 570 O TYR A 43 2.819 6.029 1.035 1.00 0.00 O ATOM 571 CB TYR A 43 1.159 5.003 3.277 1.00 0.00 C ATOM 572 CG TYR A 43 0.369 4.797 4.550 1.00 0.00 C ATOM 573 CD1 TYR A 43 1.012 4.643 5.772 1.00 0.00 C ATOM 574 CD2 TYR A 43 -1.019 4.757 4.530 1.00 0.00 C ATOM 575 CE1 TYR A 43 0.294 4.454 6.937 1.00 0.00 C ATOM 576 CE2 TYR A 43 -1.745 4.570 5.691 1.00 0.00 C ATOM 577 CZ TYR A 43 -1.084 4.419 6.892 1.00 0.00 C ATOM 578 OH TYR A 43 -1.803 4.232 8.050 1.00 0.00 O ATOM 0 H TYR A 43 0.298 6.923 1.358 1.00 0.00 H new ATOM 0 HA TYR A 43 1.702 6.970 3.951 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.585 4.614 2.436 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.079 4.420 3.332 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.091 4.672 5.812 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.540 4.874 3.591 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.809 4.334 7.879 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.824 4.542 5.658 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.761 4.234 7.844 1.00 0.00 H new ATOM 588 N HIS A 44 3.803 7.196 2.689 1.00 0.00 N ATOM 589 CA HIS A 44 5.069 7.343 1.980 1.00 0.00 C ATOM 590 C HIS A 44 5.687 5.980 1.682 1.00 0.00 C ATOM 591 O HIS A 44 5.835 5.148 2.577 1.00 0.00 O ATOM 592 CB HIS A 44 6.042 8.190 2.800 1.00 0.00 C ATOM 593 CG HIS A 44 6.032 9.641 2.431 1.00 0.00 C ATOM 594 ND1 HIS A 44 5.723 10.643 3.327 1.00 0.00 N ATOM 595 CD2 HIS A 44 6.298 10.258 1.256 1.00 0.00 C ATOM 596 CE1 HIS A 44 5.797 11.813 2.717 1.00 0.00 C ATOM 597 NE2 HIS A 44 6.145 11.607 1.460 1.00 0.00 N ATOM 0 H HIS A 44 3.784 7.630 3.612 1.00 0.00 H new ATOM 0 HA HIS A 44 4.871 7.846 1.034 1.00 0.00 H new ATOM 0 HB2 HIS A 44 5.795 8.091 3.857 1.00 0.00 H new ATOM 0 HB3 HIS A 44 7.051 7.798 2.670 1.00 0.00 H new ATOM 0 HD2 HIS A 44 6.579 9.778 0.330 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.605 12.775 3.170 1.00 0.00 H new ATOM 0 HE2 HIS A 44 6.278 12.332 0.755 1.00 0.00 H new ATOM 605 N GLN A 45 6.044 5.760 0.421 1.00 0.00 N ATOM 606 CA GLN A 45 6.645 4.498 0.007 1.00 0.00 C ATOM 607 C GLN A 45 7.614 3.982 1.066 1.00 0.00 C ATOM 608 O GLN A 45 7.865 2.781 1.160 1.00 0.00 O ATOM 609 CB GLN A 45 7.372 4.668 -1.327 1.00 0.00 C ATOM 610 CG GLN A 45 6.443 4.675 -2.530 1.00 0.00 C ATOM 611 CD GLN A 45 7.116 4.168 -3.790 1.00 0.00 C ATOM 612 OE1 GLN A 45 6.956 3.007 -4.168 1.00 0.00 O ATOM 613 NE2 GLN A 45 7.874 5.037 -4.449 1.00 0.00 N ATOM 0 H GLN A 45 5.928 6.439 -0.331 1.00 0.00 H new ATOM 0 HA GLN A 45 5.845 3.767 -0.114 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.935 5.601 -1.308 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.096 3.861 -1.442 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.571 4.057 -2.315 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.081 5.689 -2.699 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.979 5.990 -4.100 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.351 4.752 -5.304 1.00 0.00 H new ATOM 622 N ASP A 46 8.155 4.899 1.861 1.00 0.00 N ATOM 623 CA ASP A 46 9.097 4.537 2.915 1.00 0.00 C ATOM 624 C ASP A 46 8.387 4.412 4.259 1.00 0.00 C ATOM 625 O ASP A 46 8.337 3.333 4.849 1.00 0.00 O ATOM 626 CB ASP A 46 10.214 5.577 3.008 1.00 0.00 C ATOM 627 CG ASP A 46 11.264 5.208 4.038 1.00 0.00 C ATOM 628 OD1 ASP A 46 11.061 5.520 5.230 1.00 0.00 O ATOM 629 OD2 ASP A 46 12.289 4.608 3.651 1.00 0.00 O ATOM 0 H ASP A 46 7.958 5.898 1.796 1.00 0.00 H new ATOM 0 HA ASP A 46 9.532 3.570 2.664 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.688 5.685 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.784 6.546 3.262 1.00 0.00 H new ATOM 634 N CYS A 47 7.839 5.524 4.738 1.00 0.00 N ATOM 635 CA CYS A 47 7.132 5.541 6.013 1.00 0.00 C ATOM 636 C CYS A 47 6.370 4.237 6.230 1.00 0.00 C ATOM 637 O CYS A 47 6.336 3.701 7.338 1.00 0.00 O ATOM 638 CB CYS A 47 6.166 6.725 6.069 1.00 0.00 C ATOM 639 SG CYS A 47 6.985 8.351 6.143 1.00 0.00 S ATOM 0 H CYS A 47 7.871 6.426 4.262 1.00 0.00 H new ATOM 0 HA CYS A 47 7.870 5.646 6.808 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.520 6.695 5.191 1.00 0.00 H new ATOM 0 HB3 CYS A 47 5.523 6.614 6.942 1.00 0.00 H new ATOM 644 N HIS A 48 5.758 3.732 5.163 1.00 0.00 N ATOM 645 CA HIS A 48 4.996 2.490 5.236 1.00 0.00 C ATOM 646 C HIS A 48 5.895 1.323 5.634 1.00 0.00 C ATOM 647 O HIS A 48 7.111 1.372 5.449 1.00 0.00 O ATOM 648 CB HIS A 48 4.327 2.198 3.893 1.00 0.00 C ATOM 649 CG HIS A 48 3.035 1.450 4.017 1.00 0.00 C ATOM 650 ND1 HIS A 48 2.739 0.331 3.268 1.00 0.00 N ATOM 651 CD2 HIS A 48 1.960 1.665 4.810 1.00 0.00 C ATOM 652 CE1 HIS A 48 1.537 -0.109 3.594 1.00 0.00 C ATOM 653 NE2 HIS A 48 1.043 0.683 4.528 1.00 0.00 N ATOM 0 H HIS A 48 5.775 4.163 4.239 1.00 0.00 H new ATOM 0 HA HIS A 48 4.226 2.609 5.999 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.144 3.140 3.375 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.013 1.621 3.273 1.00 0.00 H new ATOM 0 HD1 HIS A 48 3.352 -0.091 2.571 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.845 2.461 5.531 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.042 -0.970 3.169 1.00 0.00 H new ATOM 662 N LYS A 49 5.289 0.276 6.182 1.00 0.00 N ATOM 663 CA LYS A 49 6.033 -0.904 6.606 1.00 0.00 C ATOM 664 C LYS A 49 6.741 -1.556 5.422 1.00 0.00 C ATOM 665 O LYS A 49 7.968 -1.542 5.317 1.00 0.00 O ATOM 666 CB LYS A 49 5.094 -1.914 7.270 1.00 0.00 C ATOM 667 CG LYS A 49 5.081 -1.825 8.787 1.00 0.00 C ATOM 668 CD LYS A 49 6.455 -2.103 9.373 1.00 0.00 C ATOM 669 CE LYS A 49 6.380 -2.366 10.869 1.00 0.00 C ATOM 670 NZ LYS A 49 5.582 -3.585 11.178 1.00 0.00 N ATOM 0 H LYS A 49 4.283 0.220 6.343 1.00 0.00 H new ATOM 0 HA LYS A 49 6.786 -0.587 7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.082 -1.757 6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.390 -2.921 6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.748 -0.833 9.091 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.362 -2.539 9.188 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.898 -2.964 8.873 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.111 -1.253 9.184 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.388 -2.480 11.269 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.935 -1.505 11.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.859 -3.954 12.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.570 -3.344 11.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.758 -4.309 10.452 1.00 0.00 H new ATOM 684 N PRO A 50 5.952 -2.139 4.507 1.00 0.00 N ATOM 685 CA PRO A 50 6.481 -2.804 3.314 1.00 0.00 C ATOM 686 C PRO A 50 7.075 -1.817 2.315 1.00 0.00 C ATOM 687 O PRO A 50 6.348 -1.061 1.670 1.00 0.00 O ATOM 688 CB PRO A 50 5.252 -3.495 2.717 1.00 0.00 C ATOM 689 CG PRO A 50 4.095 -2.693 3.204 1.00 0.00 C ATOM 690 CD PRO A 50 4.481 -2.193 4.568 1.00 0.00 C ATOM 0 HA PRO A 50 7.295 -3.487 3.556 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.295 -3.508 1.628 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.182 -4.532 3.046 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.884 -1.863 2.530 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.192 -3.301 3.253 1.00 0.00 H new ATOM 0 HD2 PRO A 50 4.051 -1.213 4.773 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.136 -2.864 5.355 1.00 0.00 H new ATOM 698 N GLN A 51 8.398 -1.829 2.192 1.00 0.00 N ATOM 699 CA GLN A 51 9.088 -0.934 1.271 1.00 0.00 C ATOM 700 C GLN A 51 8.412 -0.933 -0.096 1.00 0.00 C ATOM 701 O GLN A 51 8.576 -1.865 -0.883 1.00 0.00 O ATOM 702 CB GLN A 51 10.554 -1.346 1.127 1.00 0.00 C ATOM 703 CG GLN A 51 11.468 -0.713 2.164 1.00 0.00 C ATOM 704 CD GLN A 51 12.701 -1.550 2.443 1.00 0.00 C ATOM 705 OE1 GLN A 51 12.998 -2.500 1.718 1.00 0.00 O ATOM 706 NE2 GLN A 51 13.428 -1.200 3.498 1.00 0.00 N ATOM 0 H GLN A 51 9.014 -2.449 2.719 1.00 0.00 H new ATOM 0 HA GLN A 51 9.040 0.075 1.681 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.627 -2.431 1.204 1.00 0.00 H new ATOM 0 HB3 GLN A 51 10.904 -1.073 0.131 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.774 0.274 1.819 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.914 -0.569 3.091 1.00 0.00 H new ATOM 0 HE21 GLN A 51 13.145 -0.405 4.072 1.00 0.00 H new ATOM 0 HE22 GLN A 51 14.269 -1.726 3.735 1.00 0.00 H new ATOM 715 N VAL A 52 7.650 0.121 -0.373 1.00 0.00 N ATOM 716 CA VAL A 52 6.949 0.244 -1.645 1.00 0.00 C ATOM 717 C VAL A 52 7.907 0.634 -2.765 1.00 0.00 C ATOM 718 O VAL A 52 8.596 1.652 -2.684 1.00 0.00 O ATOM 719 CB VAL A 52 5.820 1.289 -1.565 1.00 0.00 C ATOM 720 CG1 VAL A 52 5.001 1.289 -2.847 1.00 0.00 C ATOM 721 CG2 VAL A 52 4.934 1.023 -0.357 1.00 0.00 C ATOM 0 H VAL A 52 7.503 0.902 0.267 1.00 0.00 H new ATOM 0 HA VAL A 52 6.516 -0.732 -1.863 1.00 0.00 H new ATOM 0 HB VAL A 52 6.268 2.276 -1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.208 2.033 -2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.647 1.530 -3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.560 0.303 -2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.142 1.770 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.492 0.030 -0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.533 1.078 0.552 1.00 0.00 H new ATOM 731 N THR A 53 7.948 -0.184 -3.813 1.00 0.00 N ATOM 732 CA THR A 53 8.822 0.074 -4.951 1.00 0.00 C ATOM 733 C THR A 53 8.156 1.007 -5.956 1.00 0.00 C ATOM 734 O THR A 53 6.934 1.153 -5.966 1.00 0.00 O ATOM 735 CB THR A 53 9.216 -1.233 -5.663 1.00 0.00 C ATOM 736 OG1 THR A 53 8.044 -1.906 -6.136 1.00 0.00 O ATOM 737 CG2 THR A 53 9.990 -2.148 -4.727 1.00 0.00 C ATOM 0 H THR A 53 7.386 -1.031 -3.897 1.00 0.00 H new ATOM 0 HA THR A 53 9.720 0.550 -4.558 1.00 0.00 H new ATOM 0 HB THR A 53 9.856 -0.981 -6.509 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.303 -2.735 -6.589 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.257 -3.065 -5.253 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.897 -1.644 -4.393 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.372 -2.392 -3.863 1.00 0.00 H new ATOM 745 N ASP A 54 8.967 1.635 -6.800 1.00 0.00 N ATOM 746 CA ASP A 54 8.456 2.553 -7.811 1.00 0.00 C ATOM 747 C ASP A 54 7.502 1.837 -8.763 1.00 0.00 C ATOM 748 O ASP A 54 6.340 2.221 -8.899 1.00 0.00 O ATOM 749 CB ASP A 54 9.611 3.173 -8.599 1.00 0.00 C ATOM 750 CG ASP A 54 9.276 4.553 -9.128 1.00 0.00 C ATOM 751 OD1 ASP A 54 8.122 4.759 -9.559 1.00 0.00 O ATOM 752 OD2 ASP A 54 10.168 5.427 -9.113 1.00 0.00 O ATOM 0 H ASP A 54 9.981 1.525 -6.804 1.00 0.00 H new ATOM 0 HA ASP A 54 7.907 3.345 -7.302 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.491 3.236 -7.959 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.870 2.520 -9.433 1.00 0.00 H new ATOM 757 N LYS A 55 8.000 0.795 -9.419 1.00 0.00 N ATOM 758 CA LYS A 55 7.194 0.024 -10.358 1.00 0.00 C ATOM 759 C LYS A 55 5.735 -0.020 -9.913 1.00 0.00 C ATOM 760 O LYS A 55 4.824 0.041 -10.738 1.00 0.00 O ATOM 761 CB LYS A 55 7.742 -1.399 -10.485 1.00 0.00 C ATOM 762 CG LYS A 55 7.506 -2.023 -11.849 1.00 0.00 C ATOM 763 CD LYS A 55 7.370 -3.533 -11.756 1.00 0.00 C ATOM 764 CE LYS A 55 6.885 -4.131 -13.068 1.00 0.00 C ATOM 765 NZ LYS A 55 7.364 -5.530 -13.250 1.00 0.00 N ATOM 0 H LYS A 55 8.960 0.464 -9.318 1.00 0.00 H new ATOM 0 HA LYS A 55 7.245 0.514 -11.330 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.813 -1.386 -10.281 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.280 -2.027 -9.723 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.603 -1.602 -12.291 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.333 -1.772 -12.513 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.332 -3.970 -11.489 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.672 -3.788 -10.959 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.795 -4.114 -13.094 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.234 -3.517 -13.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.013 -5.902 -14.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.404 -5.544 -13.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.010 -6.122 -12.472 1.00 0.00 H new ATOM 779 N GLU A 56 5.522 -0.125 -8.605 1.00 0.00 N ATOM 780 CA GLU A 56 4.174 -0.176 -8.053 1.00 0.00 C ATOM 781 C GLU A 56 3.547 1.215 -8.018 1.00 0.00 C ATOM 782 O GLU A 56 2.487 1.445 -8.599 1.00 0.00 O ATOM 783 CB GLU A 56 4.198 -0.773 -6.644 1.00 0.00 C ATOM 784 CG GLU A 56 4.168 -2.292 -6.626 1.00 0.00 C ATOM 785 CD GLU A 56 3.170 -2.867 -7.612 1.00 0.00 C ATOM 786 OE1 GLU A 56 3.544 -3.065 -8.787 1.00 0.00 O ATOM 787 OE2 GLU A 56 2.015 -3.119 -7.209 1.00 0.00 O ATOM 0 H GLU A 56 6.265 -0.176 -7.909 1.00 0.00 H new ATOM 0 HA GLU A 56 3.568 -0.812 -8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.095 -0.430 -6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.343 -0.394 -6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.162 -2.674 -6.857 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.920 -2.635 -5.622 1.00 0.00 H new ATOM 794 N VAL A 57 4.211 2.139 -7.331 1.00 0.00 N ATOM 795 CA VAL A 57 3.721 3.507 -7.219 1.00 0.00 C ATOM 796 C VAL A 57 3.288 4.049 -8.577 1.00 0.00 C ATOM 797 O VAL A 57 2.351 4.840 -8.671 1.00 0.00 O ATOM 798 CB VAL A 57 4.792 4.441 -6.624 1.00 0.00 C ATOM 799 CG1 VAL A 57 5.611 5.088 -7.731 1.00 0.00 C ATOM 800 CG2 VAL A 57 4.146 5.497 -5.740 1.00 0.00 C ATOM 0 H VAL A 57 5.090 1.965 -6.844 1.00 0.00 H new ATOM 0 HA VAL A 57 2.861 3.480 -6.550 1.00 0.00 H new ATOM 0 HB VAL A 57 5.466 3.846 -6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.362 5.744 -7.292 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.104 4.314 -8.319 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.954 5.670 -8.377 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.917 6.148 -5.328 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.449 6.090 -6.332 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.609 5.011 -4.926 1.00 0.00 H new ATOM 810 N ASN A 58 3.977 3.616 -9.627 1.00 0.00 N ATOM 811 CA ASN A 58 3.664 4.057 -10.982 1.00 0.00 C ATOM 812 C ASN A 58 2.313 3.511 -11.433 1.00 0.00 C ATOM 813 O ASN A 58 1.429 4.268 -11.835 1.00 0.00 O ATOM 814 CB ASN A 58 4.758 3.608 -11.952 1.00 0.00 C ATOM 815 CG ASN A 58 5.871 4.630 -12.083 1.00 0.00 C ATOM 816 OD1 ASN A 58 5.626 5.790 -12.416 1.00 0.00 O ATOM 817 ND2 ASN A 58 7.100 4.204 -11.822 1.00 0.00 N ATOM 0 H ASN A 58 4.756 2.960 -9.566 1.00 0.00 H new ATOM 0 HA ASN A 58 3.614 5.146 -10.981 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.176 2.661 -11.610 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.318 3.427 -12.933 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.889 4.847 -11.894 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.256 3.234 -11.549 1.00 0.00 H new ATOM 824 N ASP A 59 2.161 2.193 -11.364 1.00 0.00 N ATOM 825 CA ASP A 59 0.917 1.545 -11.763 1.00 0.00 C ATOM 826 C ASP A 59 -0.291 2.342 -11.279 1.00 0.00 C ATOM 827 O ASP A 59 -0.672 2.290 -10.110 1.00 0.00 O ATOM 828 CB ASP A 59 0.858 0.121 -11.210 1.00 0.00 C ATOM 829 CG ASP A 59 1.596 -0.872 -12.087 1.00 0.00 C ATOM 830 OD1 ASP A 59 1.512 -0.745 -13.327 1.00 0.00 O ATOM 831 OD2 ASP A 59 2.257 -1.775 -11.533 1.00 0.00 O ATOM 0 H ASP A 59 2.884 1.552 -11.036 1.00 0.00 H new ATOM 0 HA ASP A 59 0.891 1.505 -12.852 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.287 0.105 -10.208 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.184 -0.186 -11.116 1.00 0.00 H new ATOM 836 N PRO A 60 -0.908 3.099 -12.199 1.00 0.00 N ATOM 837 CA PRO A 60 -2.081 3.922 -11.890 1.00 0.00 C ATOM 838 C PRO A 60 -3.321 3.081 -11.608 1.00 0.00 C ATOM 839 O PRO A 60 -4.173 3.464 -10.806 1.00 0.00 O ATOM 840 CB PRO A 60 -2.276 4.753 -13.160 1.00 0.00 C ATOM 841 CG PRO A 60 -1.662 3.937 -14.245 1.00 0.00 C ATOM 842 CD PRO A 60 -0.508 3.209 -13.612 1.00 0.00 C ATOM 0 HA PRO A 60 -1.933 4.521 -10.991 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.333 4.938 -13.354 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -1.792 5.726 -13.075 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.384 3.236 -14.662 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.322 4.570 -15.065 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.355 2.229 -14.064 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.425 3.761 -13.724 1.00 0.00 H new ATOM 850 N ARG A 61 -3.415 1.932 -12.271 1.00 0.00 N ATOM 851 CA ARG A 61 -4.552 1.037 -12.091 1.00 0.00 C ATOM 852 C ARG A 61 -4.231 -0.050 -11.070 1.00 0.00 C ATOM 853 O ARG A 61 -4.761 -1.160 -11.143 1.00 0.00 O ATOM 854 CB ARG A 61 -4.942 0.400 -13.426 1.00 0.00 C ATOM 855 CG ARG A 61 -5.156 1.409 -14.543 1.00 0.00 C ATOM 856 CD ARG A 61 -6.052 0.847 -15.636 1.00 0.00 C ATOM 857 NE ARG A 61 -5.761 1.439 -16.939 1.00 0.00 N ATOM 858 CZ ARG A 61 -4.895 0.922 -17.804 1.00 0.00 C ATOM 859 NH1 ARG A 61 -4.239 -0.191 -17.505 1.00 0.00 N ATOM 860 NH2 ARG A 61 -4.684 1.518 -18.970 1.00 0.00 N ATOM 0 H ARG A 61 -2.718 1.600 -12.937 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.391 1.625 -11.718 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.163 -0.301 -13.726 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.856 -0.178 -13.290 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.603 2.316 -14.135 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.193 1.691 -14.969 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.922 -0.234 -15.691 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.095 1.030 -15.379 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.249 2.296 -17.199 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.399 -0.652 -16.609 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.575 -0.586 -18.171 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.187 2.374 -19.203 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.019 1.120 -19.633 1.00 0.00 H new ATOM 874 N LEU A 62 -3.361 0.275 -10.120 1.00 0.00 N ATOM 875 CA LEU A 62 -2.970 -0.675 -9.084 1.00 0.00 C ATOM 876 C LEU A 62 -3.633 -0.333 -7.754 1.00 0.00 C ATOM 877 O LEU A 62 -3.514 0.787 -7.258 1.00 0.00 O ATOM 878 CB LEU A 62 -1.449 -0.683 -8.922 1.00 0.00 C ATOM 879 CG LEU A 62 -0.918 -1.228 -7.595 1.00 0.00 C ATOM 880 CD1 LEU A 62 -0.705 -2.731 -7.683 1.00 0.00 C ATOM 881 CD2 LEU A 62 0.375 -0.526 -7.208 1.00 0.00 C ATOM 0 H LEU A 62 -2.913 1.188 -10.046 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.302 -1.667 -9.390 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.021 -1.274 -9.732 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.085 0.337 -9.044 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.660 -1.031 -6.821 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.327 -3.101 -6.730 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.652 -3.220 -7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.017 -2.951 -8.470 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.738 -0.927 -6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.124 -0.690 -7.982 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.191 0.543 -7.102 1.00 0.00 H new ATOM 893 N VAL A 63 -4.331 -1.308 -7.179 1.00 0.00 N ATOM 894 CA VAL A 63 -5.010 -1.112 -5.904 1.00 0.00 C ATOM 895 C VAL A 63 -4.052 -1.309 -4.735 1.00 0.00 C ATOM 896 O VAL A 63 -3.748 -2.439 -4.352 1.00 0.00 O ATOM 897 CB VAL A 63 -6.200 -2.078 -5.748 1.00 0.00 C ATOM 898 CG1 VAL A 63 -6.835 -1.926 -4.374 1.00 0.00 C ATOM 899 CG2 VAL A 63 -7.225 -1.843 -6.847 1.00 0.00 C ATOM 0 H VAL A 63 -4.441 -2.241 -7.576 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.380 -0.087 -5.897 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.831 -3.099 -5.840 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.674 -2.616 -4.282 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.096 -2.149 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.191 -0.904 -4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.058 -2.534 -6.721 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.592 -0.818 -6.790 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.760 -2.008 -7.819 1.00 0.00 H new ATOM 909 N TRP A 64 -3.581 -0.203 -4.171 1.00 0.00 N ATOM 910 CA TRP A 64 -2.657 -0.254 -3.044 1.00 0.00 C ATOM 911 C TRP A 64 -3.414 -0.324 -1.722 1.00 0.00 C ATOM 912 O TRP A 64 -4.502 0.237 -1.589 1.00 0.00 O ATOM 913 CB TRP A 64 -1.737 0.968 -3.056 1.00 0.00 C ATOM 914 CG TRP A 64 -0.532 0.813 -2.177 1.00 0.00 C ATOM 915 CD1 TRP A 64 0.573 0.052 -2.429 1.00 0.00 C ATOM 916 CD2 TRP A 64 -0.313 1.434 -0.906 1.00 0.00 C ATOM 917 NE1 TRP A 64 1.466 0.162 -1.391 1.00 0.00 N ATOM 918 CE2 TRP A 64 0.946 1.005 -0.444 1.00 0.00 C ATOM 919 CE3 TRP A 64 -1.057 2.312 -0.114 1.00 0.00 C ATOM 920 CZ2 TRP A 64 1.475 1.424 0.774 1.00 0.00 C ATOM 921 CZ3 TRP A 64 -0.532 2.727 1.095 1.00 0.00 C ATOM 922 CH2 TRP A 64 0.724 2.284 1.529 1.00 0.00 C ATOM 0 H TRP A 64 -3.824 0.740 -4.475 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.052 -1.155 -3.143 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -1.410 1.158 -4.078 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -2.302 1.843 -2.735 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.723 -0.548 -3.314 1.00 0.00 H new ATOM 0 HE1 TRP A 64 2.370 -0.308 -1.334 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.026 2.660 -0.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.443 1.083 1.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.100 3.404 1.716 1.00 0.00 H new ATOM 0 HH2 TRP A 64 1.107 2.628 2.478 1.00 0.00 H new ATOM 933 N TYR A 65 -2.832 -1.014 -0.748 1.00 0.00 N ATOM 934 CA TYR A 65 -3.454 -1.158 0.563 1.00 0.00 C ATOM 935 C TYR A 65 -2.434 -0.936 1.677 1.00 0.00 C ATOM 936 O TYR A 65 -1.267 -1.308 1.550 1.00 0.00 O ATOM 937 CB TYR A 65 -4.084 -2.544 0.703 1.00 0.00 C ATOM 938 CG TYR A 65 -5.346 -2.720 -0.112 1.00 0.00 C ATOM 939 CD1 TYR A 65 -6.375 -1.789 -0.045 1.00 0.00 C ATOM 940 CD2 TYR A 65 -5.509 -3.817 -0.949 1.00 0.00 C ATOM 941 CE1 TYR A 65 -7.530 -1.946 -0.786 1.00 0.00 C ATOM 942 CE2 TYR A 65 -6.660 -3.981 -1.695 1.00 0.00 C ATOM 943 CZ TYR A 65 -7.667 -3.044 -1.610 1.00 0.00 C ATOM 944 OH TYR A 65 -8.816 -3.203 -2.352 1.00 0.00 O ATOM 0 H TYR A 65 -1.931 -1.482 -0.841 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.234 -0.401 0.652 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.357 -3.297 0.399 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.311 -2.726 1.753 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.270 -0.927 0.598 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.722 -4.554 -1.018 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.321 -1.214 -0.721 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.770 -4.839 -2.342 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.753 -4.026 -2.880 1.00 0.00 H new ATOM 954 N CYS A 66 -2.884 -0.329 2.770 1.00 0.00 N ATOM 955 CA CYS A 66 -2.014 -0.057 3.907 1.00 0.00 C ATOM 956 C CYS A 66 -2.201 -1.107 4.998 1.00 0.00 C ATOM 957 O CYS A 66 -3.312 -1.580 5.236 1.00 0.00 O ATOM 958 CB CYS A 66 -2.299 1.337 4.472 1.00 0.00 C ATOM 959 SG CYS A 66 -3.978 1.536 5.149 1.00 0.00 S ATOM 0 H CYS A 66 -3.847 -0.016 2.892 1.00 0.00 H new ATOM 0 HA CYS A 66 -0.981 -0.098 3.560 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.574 1.554 5.257 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.147 2.075 3.684 1.00 0.00 H new ATOM 964 N ALA A 67 -1.105 -1.468 5.658 1.00 0.00 N ATOM 965 CA ALA A 67 -1.147 -2.460 6.725 1.00 0.00 C ATOM 966 C ALA A 67 -2.449 -2.364 7.513 1.00 0.00 C ATOM 967 O ALA A 67 -3.110 -3.371 7.764 1.00 0.00 O ATOM 968 CB ALA A 67 0.047 -2.290 7.651 1.00 0.00 C ATOM 0 H ALA A 67 -0.177 -1.088 5.472 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.101 -3.449 6.270 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.002 -3.038 8.443 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.969 -2.417 7.083 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.027 -1.293 8.091 1.00 0.00 H new ATOM 974 N ARG A 68 -2.811 -1.145 7.902 1.00 0.00 N ATOM 975 CA ARG A 68 -4.033 -0.918 8.663 1.00 0.00 C ATOM 976 C ARG A 68 -5.168 -1.795 8.144 1.00 0.00 C ATOM 977 O ARG A 68 -5.843 -2.477 8.916 1.00 0.00 O ATOM 978 CB ARG A 68 -4.438 0.556 8.591 1.00 0.00 C ATOM 979 CG ARG A 68 -3.856 1.403 9.710 1.00 0.00 C ATOM 980 CD ARG A 68 -4.591 1.174 11.022 1.00 0.00 C ATOM 981 NE ARG A 68 -4.401 2.279 11.957 1.00 0.00 N ATOM 982 CZ ARG A 68 -4.634 2.187 13.262 1.00 0.00 C ATOM 983 NH1 ARG A 68 -5.063 1.045 13.782 1.00 0.00 N ATOM 984 NH2 ARG A 68 -4.436 3.237 14.048 1.00 0.00 N ATOM 0 H ARG A 68 -2.275 -0.300 7.702 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.838 -1.184 9.702 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.118 0.965 7.633 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.525 0.627 8.621 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.800 1.164 9.837 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.914 2.457 9.438 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.655 1.046 10.824 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.238 0.249 11.478 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.071 3.171 11.588 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.215 0.236 13.180 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.241 0.976 14.784 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.105 4.116 13.651 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.615 3.165 15.050 1.00 0.00 H new ATOM 998 N CYS A 69 -5.375 -1.771 6.832 1.00 0.00 N ATOM 999 CA CYS A 69 -6.429 -2.562 6.209 1.00 0.00 C ATOM 1000 C CYS A 69 -5.933 -3.968 5.883 1.00 0.00 C ATOM 1001 O CYS A 69 -6.602 -4.959 6.178 1.00 0.00 O ATOM 1002 CB CYS A 69 -6.924 -1.876 4.934 1.00 0.00 C ATOM 1003 SG CYS A 69 -5.603 -1.467 3.748 1.00 0.00 S ATOM 0 H CYS A 69 -4.826 -1.212 6.179 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.255 -2.642 6.915 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -7.650 -2.525 4.444 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.448 -0.960 5.207 1.00 0.00 H new ATOM 1008 N THR A 70 -4.755 -4.047 5.273 1.00 0.00 N ATOM 1009 CA THR A 70 -4.169 -5.331 4.906 1.00 0.00 C ATOM 1010 C THR A 70 -4.366 -6.361 6.012 1.00 0.00 C ATOM 1011 O THR A 70 -4.740 -7.504 5.749 1.00 0.00 O ATOM 1012 CB THR A 70 -2.664 -5.196 4.607 1.00 0.00 C ATOM 1013 OG1 THR A 70 -2.451 -4.201 3.600 1.00 0.00 O ATOM 1014 CG2 THR A 70 -2.083 -6.524 4.145 1.00 0.00 C ATOM 0 H THR A 70 -4.188 -3.237 5.022 1.00 0.00 H new ATOM 0 HA THR A 70 -4.682 -5.667 4.005 1.00 0.00 H new ATOM 0 HB THR A 70 -2.160 -4.896 5.526 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.492 -4.121 3.417 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.019 -6.404 3.940 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.220 -7.272 4.926 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.593 -6.848 3.238 1.00 0.00 H new ATOM 1022 N ARG A 71 -4.113 -5.949 7.250 1.00 0.00 N ATOM 1023 CA ARG A 71 -4.262 -6.838 8.396 1.00 0.00 C ATOM 1024 C ARG A 71 -5.692 -7.358 8.498 1.00 0.00 C ATOM 1025 O ARG A 71 -5.919 -8.504 8.886 1.00 0.00 O ATOM 1026 CB ARG A 71 -3.880 -6.109 9.686 1.00 0.00 C ATOM 1027 CG ARG A 71 -4.745 -4.894 9.978 1.00 0.00 C ATOM 1028 CD ARG A 71 -4.641 -4.473 11.436 1.00 0.00 C ATOM 1029 NE ARG A 71 -5.135 -5.508 12.341 1.00 0.00 N ATOM 1030 CZ ARG A 71 -5.527 -5.268 13.587 1.00 0.00 C ATOM 1031 NH1 ARG A 71 -5.483 -4.036 14.074 1.00 0.00 N ATOM 1032 NH2 ARG A 71 -5.964 -6.263 14.349 1.00 0.00 N ATOM 0 H ARG A 71 -3.804 -5.006 7.485 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.594 -7.688 8.255 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.952 -6.805 10.522 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.838 -5.796 9.621 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.441 -4.067 9.337 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.784 -5.119 9.736 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.602 -4.248 11.675 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.209 -3.556 11.590 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.181 -6.467 11.997 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.147 -3.269 13.491 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.785 -3.855 15.031 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.999 -7.212 13.978 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.265 -6.078 15.306 1.00 0.00 H new ATOM 1046 N GLN A 72 -6.652 -6.509 8.148 1.00 0.00 N ATOM 1047 CA GLN A 72 -8.060 -6.883 8.201 1.00 0.00 C ATOM 1048 C GLN A 72 -8.389 -7.917 7.129 1.00 0.00 C ATOM 1049 O GLN A 72 -8.784 -9.042 7.438 1.00 0.00 O ATOM 1050 CB GLN A 72 -8.946 -5.649 8.024 1.00 0.00 C ATOM 1051 CG GLN A 72 -8.998 -4.757 9.254 1.00 0.00 C ATOM 1052 CD GLN A 72 -9.255 -5.535 10.529 1.00 0.00 C ATOM 1053 OE1 GLN A 72 -10.395 -5.657 10.977 1.00 0.00 O ATOM 1054 NE2 GLN A 72 -8.192 -6.068 11.121 1.00 0.00 N ATOM 0 H GLN A 72 -6.481 -5.557 7.824 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.255 -7.324 9.179 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.580 -5.067 7.178 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.957 -5.971 7.775 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.056 -4.217 9.346 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.782 -4.011 9.124 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.265 -5.942 10.715 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -8.303 -6.604 11.982 1.00 0.00 H new ATOM 1063 N MET A 73 -8.225 -7.529 5.869 1.00 0.00 N ATOM 1064 CA MET A 73 -8.504 -8.423 4.751 1.00 0.00 C ATOM 1065 C MET A 73 -7.913 -9.807 5.001 1.00 0.00 C ATOM 1066 O MET A 73 -8.514 -10.823 4.651 1.00 0.00 O ATOM 1067 CB MET A 73 -7.941 -7.842 3.453 1.00 0.00 C ATOM 1068 CG MET A 73 -8.618 -6.551 3.020 1.00 0.00 C ATOM 1069 SD MET A 73 -8.101 -6.012 1.379 1.00 0.00 S ATOM 1070 CE MET A 73 -8.055 -4.236 1.606 1.00 0.00 C ATOM 0 H MET A 73 -7.900 -6.601 5.596 1.00 0.00 H new ATOM 0 HA MET A 73 -9.586 -8.521 4.658 1.00 0.00 H new ATOM 0 HB2 MET A 73 -6.874 -7.658 3.580 1.00 0.00 H new ATOM 0 HB3 MET A 73 -8.045 -8.581 2.659 1.00 0.00 H new ATOM 0 HG2 MET A 73 -9.699 -6.692 3.028 1.00 0.00 H new ATOM 0 HG3 MET A 73 -8.393 -5.767 3.743 1.00 0.00 H new ATOM 0 HE1 MET A 73 -8.625 -3.753 0.812 1.00 0.00 H new ATOM 0 HE2 MET A 73 -8.491 -3.981 2.572 1.00 0.00 H new ATOM 0 HE3 MET A 73 -7.021 -3.892 1.572 1.00 0.00 H new ATOM 1080 N LYS A 74 -6.732 -9.839 5.609 1.00 0.00 N ATOM 1081 CA LYS A 74 -6.059 -11.098 5.907 1.00 0.00 C ATOM 1082 C LYS A 74 -6.831 -11.892 6.956 1.00 0.00 C ATOM 1083 O LYS A 74 -7.308 -11.334 7.944 1.00 0.00 O ATOM 1084 CB LYS A 74 -4.634 -10.835 6.398 1.00 0.00 C ATOM 1085 CG LYS A 74 -3.709 -10.297 5.320 1.00 0.00 C ATOM 1086 CD LYS A 74 -3.141 -11.416 4.463 1.00 0.00 C ATOM 1087 CE LYS A 74 -2.155 -10.884 3.434 1.00 0.00 C ATOM 1088 NZ LYS A 74 -0.791 -10.720 4.007 1.00 0.00 N ATOM 0 H LYS A 74 -6.221 -9.007 5.905 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.018 -11.685 4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.668 -10.124 7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.218 -11.762 6.793 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.254 -9.595 4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.893 -9.742 5.783 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.644 -12.148 5.100 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.954 -11.935 3.955 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.113 -11.566 2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.508 -9.925 3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.148 -10.356 3.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.826 -10.050 4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.444 -11.640 4.346 1.00 0.00 H new ATOM 1102 N ARG A 75 -6.948 -13.198 6.736 1.00 0.00 N ATOM 1103 CA ARG A 75 -7.661 -14.068 7.663 1.00 0.00 C ATOM 1104 C ARG A 75 -6.739 -14.545 8.780 1.00 0.00 C ATOM 1105 O ARG A 75 -7.142 -14.624 9.940 1.00 0.00 O ATOM 1106 CB ARG A 75 -8.244 -15.271 6.920 1.00 0.00 C ATOM 1107 CG ARG A 75 -7.205 -16.079 6.159 1.00 0.00 C ATOM 1108 CD ARG A 75 -7.746 -17.442 5.754 1.00 0.00 C ATOM 1109 NE ARG A 75 -7.040 -17.989 4.599 1.00 0.00 N ATOM 1110 CZ ARG A 75 -7.059 -19.275 4.268 1.00 0.00 C ATOM 1111 NH1 ARG A 75 -7.745 -20.142 5.000 1.00 0.00 N ATOM 1112 NH2 ARG A 75 -6.391 -19.697 3.202 1.00 0.00 N ATOM 0 H ARG A 75 -6.558 -13.676 5.924 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.474 -13.494 8.107 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.745 -15.922 7.637 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.004 -14.922 6.221 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -6.896 -15.530 5.269 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.318 -16.208 6.779 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.657 -18.132 6.593 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.808 -17.357 5.523 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.503 -17.349 4.014 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.260 -19.822 5.820 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.758 -21.129 4.743 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.862 -19.033 2.636 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.406 -20.685 2.949 1.00 0.00 H new ATOM 1126 N MET A 76 -5.498 -14.861 8.422 1.00 0.00 N ATOM 1127 CA MET A 76 -4.518 -15.330 9.395 1.00 0.00 C ATOM 1128 C MET A 76 -3.777 -14.156 10.028 1.00 0.00 C ATOM 1129 O MET A 76 -2.614 -14.279 10.412 1.00 0.00 O ATOM 1130 CB MET A 76 -3.520 -16.279 8.729 1.00 0.00 C ATOM 1131 CG MET A 76 -4.029 -17.705 8.604 1.00 0.00 C ATOM 1132 SD MET A 76 -3.986 -18.599 10.169 1.00 0.00 S ATOM 1133 CE MET A 76 -2.252 -19.041 10.259 1.00 0.00 C ATOM 0 H MET A 76 -5.148 -14.801 7.466 1.00 0.00 H new ATOM 0 HA MET A 76 -5.050 -15.867 10.180 1.00 0.00 H new ATOM 0 HB2 MET A 76 -3.278 -15.900 7.736 1.00 0.00 H new ATOM 0 HB3 MET A 76 -2.594 -16.281 9.304 1.00 0.00 H new ATOM 0 HG2 MET A 76 -5.052 -17.690 8.227 1.00 0.00 H new ATOM 0 HG3 MET A 76 -3.426 -18.238 7.869 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.156 -20.124 10.333 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.740 -18.691 9.362 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.803 -18.577 11.137 1.00 0.00 H new ATOM 1143 N ALA A 77 -4.458 -13.020 10.134 1.00 0.00 N ATOM 1144 CA ALA A 77 -3.864 -11.825 10.722 1.00 0.00 C ATOM 1145 C ALA A 77 -4.776 -11.227 11.789 1.00 0.00 C ATOM 1146 O ALA A 77 -4.929 -10.009 11.874 1.00 0.00 O ATOM 1147 CB ALA A 77 -3.568 -10.797 9.642 1.00 0.00 C ATOM 0 H ALA A 77 -5.421 -12.902 9.821 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.928 -12.112 11.201 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.125 -9.910 10.095 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.872 -11.220 8.918 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.494 -10.522 9.138 1.00 0.00 H new ATOM 1153 N GLN A 78 -5.378 -12.092 12.599 1.00 0.00 N ATOM 1154 CA GLN A 78 -6.275 -11.648 13.659 1.00 0.00 C ATOM 1155 C GLN A 78 -5.899 -12.284 14.993 1.00 0.00 C ATOM 1156 O GLN A 78 -5.383 -13.401 15.037 1.00 0.00 O ATOM 1157 CB GLN A 78 -7.724 -11.992 13.307 1.00 0.00 C ATOM 1158 CG GLN A 78 -8.049 -13.470 13.443 1.00 0.00 C ATOM 1159 CD GLN A 78 -9.540 -13.738 13.492 1.00 0.00 C ATOM 1160 OE1 GLN A 78 -10.282 -13.355 12.587 1.00 0.00 O ATOM 1161 NE2 GLN A 78 -9.989 -14.399 14.553 1.00 0.00 N ATOM 0 H GLN A 78 -5.261 -13.104 12.541 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.178 -10.566 13.753 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -8.391 -11.421 13.953 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.925 -11.677 12.283 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.614 -14.012 12.604 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.584 -13.858 14.349 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.339 -14.698 15.280 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -10.984 -14.608 14.641 1.00 0.00 H new ATOM 1170 N LYS A 79 -6.162 -11.567 16.080 1.00 0.00 N ATOM 1171 CA LYS A 79 -5.852 -12.060 17.416 1.00 0.00 C ATOM 1172 C LYS A 79 -7.078 -11.988 18.320 1.00 0.00 C ATOM 1173 O LYS A 79 -7.524 -10.903 18.691 1.00 0.00 O ATOM 1174 CB LYS A 79 -4.706 -11.252 18.028 1.00 0.00 C ATOM 1175 CG LYS A 79 -3.329 -11.791 17.682 1.00 0.00 C ATOM 1176 CD LYS A 79 -2.280 -11.323 18.677 1.00 0.00 C ATOM 1177 CE LYS A 79 -1.828 -9.901 18.383 1.00 0.00 C ATOM 1178 NZ LYS A 79 -0.773 -9.447 19.331 1.00 0.00 N ATOM 0 H LYS A 79 -6.590 -10.641 16.061 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.547 -13.103 17.329 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.779 -10.219 17.688 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.820 -11.239 19.112 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.357 -12.881 17.667 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.051 -11.466 16.679 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.686 -11.375 19.687 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.421 -11.993 18.644 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.448 -9.844 17.363 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.684 -9.228 18.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.492 -8.473 19.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.143 -9.477 20.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.054 -10.073 19.256 1.00 0.00 H new ATOM 1192 N ASN A 80 -7.617 -13.151 18.673 1.00 0.00 N ATOM 1193 CA ASN A 80 -8.792 -13.218 19.535 1.00 0.00 C ATOM 1194 C ASN A 80 -9.837 -12.191 19.112 1.00 0.00 C ATOM 1195 O ASN A 80 -10.453 -11.536 19.952 1.00 0.00 O ATOM 1196 CB ASN A 80 -8.393 -12.986 20.994 1.00 0.00 C ATOM 1197 CG ASN A 80 -7.634 -11.687 21.186 1.00 0.00 C ATOM 1198 OD1 ASN A 80 -8.218 -10.604 21.160 1.00 0.00 O ATOM 1199 ND2 ASN A 80 -6.324 -11.791 21.379 1.00 0.00 N ATOM 0 H ASN A 80 -7.259 -14.059 18.376 1.00 0.00 H new ATOM 0 HA ASN A 80 -9.227 -14.213 19.438 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.288 -12.976 21.616 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.777 -13.818 21.336 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.760 -10.952 21.513 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.882 -12.710 21.393 1.00 0.00 H new ATOM 1206 N GLN A 81 -10.032 -12.058 17.804 1.00 0.00 N ATOM 1207 CA GLN A 81 -11.003 -11.111 17.269 1.00 0.00 C ATOM 1208 C GLN A 81 -12.377 -11.759 17.130 1.00 0.00 C ATOM 1209 O GLN A 81 -12.487 -12.949 16.833 1.00 0.00 O ATOM 1210 CB GLN A 81 -10.537 -10.581 15.912 1.00 0.00 C ATOM 1211 CG GLN A 81 -9.241 -9.789 15.981 1.00 0.00 C ATOM 1212 CD GLN A 81 -9.446 -8.379 16.500 1.00 0.00 C ATOM 1213 OE1 GLN A 81 -10.355 -7.671 16.065 1.00 0.00 O ATOM 1214 NE2 GLN A 81 -8.599 -7.964 17.435 1.00 0.00 N ATOM 0 H GLN A 81 -9.531 -12.594 17.096 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.083 -10.279 17.968 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.404 -11.420 15.229 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.318 -9.948 15.491 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -8.535 -10.311 16.627 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -8.793 -9.745 14.988 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -7.860 -8.585 17.766 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.687 -7.024 17.822 1.00 0.00 H new ATOM 1223 N LYS A 82 -13.423 -10.969 17.348 1.00 0.00 N ATOM 1224 CA LYS A 82 -14.790 -11.465 17.247 1.00 0.00 C ATOM 1225 C LYS A 82 -15.375 -11.171 15.869 1.00 0.00 C ATOM 1226 O LYS A 82 -16.537 -10.784 15.747 1.00 0.00 O ATOM 1227 CB LYS A 82 -15.666 -10.831 18.330 1.00 0.00 C ATOM 1228 CG LYS A 82 -15.804 -9.324 18.196 1.00 0.00 C ATOM 1229 CD LYS A 82 -16.875 -8.777 19.124 1.00 0.00 C ATOM 1230 CE LYS A 82 -17.508 -7.513 18.562 1.00 0.00 C ATOM 1231 NZ LYS A 82 -18.808 -7.204 19.219 1.00 0.00 N ATOM 0 H LYS A 82 -13.350 -9.982 17.596 1.00 0.00 H new ATOM 0 HA LYS A 82 -14.769 -12.545 17.391 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -16.657 -11.283 18.294 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -15.245 -11.063 19.308 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.849 -8.849 18.421 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -16.051 -9.071 17.165 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.645 -9.533 19.278 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.438 -8.563 20.100 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.825 -6.674 18.696 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -17.662 -7.630 17.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -19.207 -6.336 18.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -19.469 -7.993 19.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -18.658 -7.067 20.239 1.00 0.00 H new ATOM 1245 N SER A 83 -14.563 -11.360 14.834 1.00 0.00 N ATOM 1246 CA SER A 83 -14.999 -11.112 13.465 1.00 0.00 C ATOM 1247 C SER A 83 -14.530 -12.228 12.535 1.00 0.00 C ATOM 1248 O SER A 83 -13.696 -13.052 12.908 1.00 0.00 O ATOM 1249 CB SER A 83 -14.466 -9.765 12.973 1.00 0.00 C ATOM 1250 OG SER A 83 -15.297 -8.701 13.402 1.00 0.00 O ATOM 0 H SER A 83 -13.599 -11.684 14.918 1.00 0.00 H new ATOM 0 HA SER A 83 -16.089 -11.088 13.456 1.00 0.00 H new ATOM 0 HB2 SER A 83 -13.453 -9.613 13.346 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.408 -9.769 11.885 1.00 0.00 H new ATOM 0 HG SER A 83 -14.934 -7.851 13.076 1.00 0.00 H new ATOM 1256 N GLY A 84 -15.074 -12.247 11.322 1.00 0.00 N ATOM 1257 CA GLY A 84 -14.700 -13.264 10.357 1.00 0.00 C ATOM 1258 C GLY A 84 -14.999 -12.849 8.931 1.00 0.00 C ATOM 1259 O GLY A 84 -16.078 -13.112 8.398 1.00 0.00 O ATOM 0 H GLY A 84 -15.767 -11.576 10.991 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.636 -13.478 10.454 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -15.233 -14.188 10.582 1.00 0.00 H new ATOM 1263 N PRO A 85 -14.029 -12.181 8.289 1.00 0.00 N ATOM 1264 CA PRO A 85 -14.171 -11.713 6.907 1.00 0.00 C ATOM 1265 C PRO A 85 -14.180 -12.862 5.904 1.00 0.00 C ATOM 1266 O PRO A 85 -13.875 -14.003 6.250 1.00 0.00 O ATOM 1267 CB PRO A 85 -12.935 -10.834 6.702 1.00 0.00 C ATOM 1268 CG PRO A 85 -11.932 -11.357 7.672 1.00 0.00 C ATOM 1269 CD PRO A 85 -12.718 -11.834 8.862 1.00 0.00 C ATOM 0 HA PRO A 85 -15.114 -11.190 6.748 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -12.567 -10.901 5.678 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -13.160 -9.785 6.892 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -11.353 -12.171 7.235 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -11.223 -10.580 7.958 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -12.246 -12.695 9.336 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -12.805 -11.059 9.623 1.00 0.00 H new ATOM 1277 N SER A 86 -14.531 -12.552 4.660 1.00 0.00 N ATOM 1278 CA SER A 86 -14.583 -13.559 3.607 1.00 0.00 C ATOM 1279 C SER A 86 -13.294 -13.558 2.790 1.00 0.00 C ATOM 1280 O SER A 86 -12.583 -12.555 2.732 1.00 0.00 O ATOM 1281 CB SER A 86 -15.781 -13.308 2.690 1.00 0.00 C ATOM 1282 OG SER A 86 -15.580 -12.153 1.893 1.00 0.00 O ATOM 0 H SER A 86 -14.784 -11.611 4.357 1.00 0.00 H new ATOM 0 HA SER A 86 -14.694 -14.536 4.078 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.939 -14.174 2.047 1.00 0.00 H new ATOM 0 HB3 SER A 86 -16.683 -13.187 3.290 1.00 0.00 H new ATOM 0 HG SER A 86 -16.359 -12.015 1.314 1.00 0.00 H new ATOM 1288 N SER A 87 -12.999 -14.691 2.160 1.00 0.00 N ATOM 1289 CA SER A 87 -11.794 -14.824 1.350 1.00 0.00 C ATOM 1290 C SER A 87 -12.033 -15.764 0.172 1.00 0.00 C ATOM 1291 O SER A 87 -13.076 -16.409 0.080 1.00 0.00 O ATOM 1292 CB SER A 87 -10.634 -15.341 2.203 1.00 0.00 C ATOM 1293 OG SER A 87 -9.391 -14.871 1.712 1.00 0.00 O ATOM 0 H SER A 87 -13.578 -15.530 2.195 1.00 0.00 H new ATOM 0 HA SER A 87 -11.537 -13.839 0.960 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.766 -15.018 3.236 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.639 -16.431 2.206 1.00 0.00 H new ATOM 0 HG SER A 87 -8.666 -15.214 2.275 1.00 0.00 H new ATOM 1299 N GLY A 88 -11.056 -15.835 -0.728 1.00 0.00 N ATOM 1300 CA GLY A 88 -11.178 -16.699 -1.888 1.00 0.00 C ATOM 1301 C GLY A 88 -9.989 -17.625 -2.048 1.00 0.00 C ATOM 1302 O GLY A 88 -10.074 -18.784 -1.645 1.00 0.00 O ATOM 0 H GLY A 88 -10.183 -15.310 -0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.088 -17.293 -1.801 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.281 -16.087 -2.784 1.00 0.00 H new TER 1306 GLY A 88 HETATM 1307 ZN ZN A 201 5.744 10.208 5.616 1.00 0.00 ZN HETATM 1308 ZN ZN A 401 -5.763 0.934 3.844 1.00 0.00 ZN