USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 629 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 Single : A 3 GLN : amide:sc= -0.048 X(o=-0.048,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 143:sc= 0.00271 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0603) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0526 USER MOD Single : A 20 THR OG1 : rot 70:sc= 0.573 USER MOD Single : A 24 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.58) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 150:sc= -1.04 USER MOD Single : A 34 ASN : amide:sc= -0.33 X(o=-0.33,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 6:sc= -1.56! USER MOD Single : A 43 ASN : amide:sc= -0.213 K(o=-0.21,f=-5.8!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -83:sc= 1.12 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 53:sc= 0.185 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc=-0.00492 F(o=-0.64,f=-0.0049) USER MOD Single : A 75 ASN : amide:sc= -4.06 K(o=-4.1,f=-16!) USER MOD Single : A 80 THR OG1 : rot 66:sc= 1.19 USER MOD Single : A 81 MET CE :methyl 153:sc= -0.676 (180deg=-2.07) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 12:sc= -0.596 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -5.955 -9.663 -9.263 1.00 0.00 N ATOM 2 CA ALA A 2 -6.445 -9.078 -7.984 1.00 0.00 C ATOM 3 C ALA A 2 -5.632 -7.826 -7.649 1.00 0.00 C ATOM 4 O ALA A 2 -5.444 -7.490 -6.495 1.00 0.00 O ATOM 5 CB ALA A 2 -6.284 -10.104 -6.860 1.00 0.00 C ATOM 0 HA ALA A 2 -7.497 -8.811 -8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.642 -9.677 -5.923 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.863 -10.997 -7.097 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.232 -10.370 -6.758 1.00 0.00 H new ATOM 13 N GLN A 3 -5.150 -7.134 -8.650 1.00 0.00 N ATOM 14 CA GLN A 3 -4.348 -5.900 -8.397 1.00 0.00 C ATOM 15 C GLN A 3 -5.273 -4.684 -8.383 1.00 0.00 C ATOM 16 O GLN A 3 -6.322 -4.685 -8.999 1.00 0.00 O ATOM 17 CB GLN A 3 -3.296 -5.727 -9.496 1.00 0.00 C ATOM 18 CG GLN A 3 -3.964 -5.806 -10.871 1.00 0.00 C ATOM 19 CD GLN A 3 -3.141 -5.009 -11.885 1.00 0.00 C ATOM 20 OE1 GLN A 3 -2.615 -5.565 -12.829 1.00 0.00 O ATOM 21 NE2 GLN A 3 -3.008 -3.721 -11.729 1.00 0.00 N ATOM 0 H GLN A 3 -5.278 -7.372 -9.634 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.848 -5.991 -7.433 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.792 -4.768 -9.381 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.533 -6.501 -9.407 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.044 -6.846 -11.189 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.978 -5.410 -10.818 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.450 -3.255 -10.936 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.462 -3.180 -12.400 1.00 0.00 H new ATOM 30 N LYS A 4 -4.889 -3.647 -7.682 1.00 0.00 N ATOM 31 CA LYS A 4 -5.742 -2.424 -7.620 1.00 0.00 C ATOM 32 C LYS A 4 -4.853 -1.177 -7.602 1.00 0.00 C ATOM 33 O LYS A 4 -3.738 -1.208 -7.118 1.00 0.00 O ATOM 34 CB LYS A 4 -6.592 -2.462 -6.349 1.00 0.00 C ATOM 35 CG LYS A 4 -7.933 -1.771 -6.607 1.00 0.00 C ATOM 36 CD LYS A 4 -8.731 -1.701 -5.304 1.00 0.00 C ATOM 37 CE LYS A 4 -10.227 -1.688 -5.621 1.00 0.00 C ATOM 38 NZ LYS A 4 -10.697 -0.280 -5.748 1.00 0.00 N ATOM 0 H LYS A 4 -4.020 -3.596 -7.150 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.392 -2.391 -8.494 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.757 -3.494 -6.040 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.067 -1.966 -5.533 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.767 -0.767 -6.999 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.497 -2.319 -7.362 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.490 -2.555 -4.671 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.459 -0.805 -4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.418 -2.231 -6.547 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.781 -2.198 -4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.409 -0.219 -6.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.119 0.028 -4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.892 0.335 -5.981 1.00 0.00 H new ATOM 52 N THR A 5 -5.341 -0.083 -8.130 1.00 0.00 N ATOM 53 CA THR A 5 -4.533 1.172 -8.152 1.00 0.00 C ATOM 54 C THR A 5 -4.933 2.060 -6.971 1.00 0.00 C ATOM 55 O THR A 5 -6.050 2.003 -6.492 1.00 0.00 O ATOM 56 CB THR A 5 -4.789 1.922 -9.462 1.00 0.00 C ATOM 57 OG1 THR A 5 -4.758 1.004 -10.546 1.00 0.00 O ATOM 58 CG2 THR A 5 -3.710 2.988 -9.662 1.00 0.00 C ATOM 0 H THR A 5 -6.268 -0.006 -8.548 1.00 0.00 H new ATOM 0 HA THR A 5 -3.475 0.922 -8.076 1.00 0.00 H new ATOM 0 HB THR A 5 -5.767 2.402 -9.420 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.923 1.483 -11.385 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.894 3.521 -10.595 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.736 3.692 -8.831 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.731 2.511 -9.703 1.00 0.00 H new ATOM 66 N PHE A 6 -4.026 2.879 -6.502 1.00 0.00 N ATOM 67 CA PHE A 6 -4.341 3.775 -5.353 1.00 0.00 C ATOM 68 C PHE A 6 -3.668 5.132 -5.566 1.00 0.00 C ATOM 69 O PHE A 6 -2.606 5.221 -6.154 1.00 0.00 O ATOM 70 CB PHE A 6 -3.816 3.151 -4.059 1.00 0.00 C ATOM 71 CG PHE A 6 -4.592 1.893 -3.751 1.00 0.00 C ATOM 72 CD1 PHE A 6 -5.772 1.966 -3.002 1.00 0.00 C ATOM 73 CD2 PHE A 6 -4.130 0.654 -4.212 1.00 0.00 C ATOM 74 CE1 PHE A 6 -6.490 0.800 -2.714 1.00 0.00 C ATOM 75 CE2 PHE A 6 -4.849 -0.512 -3.923 1.00 0.00 C ATOM 76 CZ PHE A 6 -6.029 -0.439 -3.174 1.00 0.00 C ATOM 0 H PHE A 6 -3.078 2.964 -6.868 1.00 0.00 H new ATOM 0 HA PHE A 6 -5.421 3.907 -5.284 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.755 2.921 -4.159 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.912 3.860 -3.237 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -6.128 2.922 -2.647 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.220 0.598 -4.790 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -7.401 0.856 -2.136 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -4.493 -1.468 -4.278 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.584 -1.338 -2.951 1.00 0.00 H new ATOM 86 N LYS A 7 -4.277 6.188 -5.087 1.00 0.00 N ATOM 87 CA LYS A 7 -3.675 7.543 -5.252 1.00 0.00 C ATOM 88 C LYS A 7 -3.195 8.048 -3.890 1.00 0.00 C ATOM 89 O LYS A 7 -3.979 8.226 -2.975 1.00 0.00 O ATOM 90 CB LYS A 7 -4.722 8.507 -5.815 1.00 0.00 C ATOM 91 CG LYS A 7 -4.632 8.528 -7.342 1.00 0.00 C ATOM 92 CD LYS A 7 -3.636 9.603 -7.782 1.00 0.00 C ATOM 93 CE LYS A 7 -3.692 9.761 -9.303 1.00 0.00 C ATOM 94 NZ LYS A 7 -2.736 10.823 -9.727 1.00 0.00 N ATOM 0 H LYS A 7 -5.167 6.168 -4.588 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.832 7.487 -5.941 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.720 8.198 -5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.560 9.509 -5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.316 7.552 -7.711 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.613 8.729 -7.772 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.871 10.551 -7.299 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.628 9.328 -7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.442 8.817 -9.787 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.703 10.021 -9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.685 10.850 -10.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.061 11.745 -9.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.793 10.616 -9.340 1.00 0.00 H new ATOM 108 N VAL A 8 -1.916 8.272 -3.752 1.00 0.00 N ATOM 109 CA VAL A 8 -1.371 8.761 -2.450 1.00 0.00 C ATOM 110 C VAL A 8 -1.732 10.235 -2.267 1.00 0.00 C ATOM 111 O VAL A 8 -1.255 11.092 -2.988 1.00 0.00 O ATOM 112 CB VAL A 8 0.154 8.607 -2.434 1.00 0.00 C ATOM 113 CG1 VAL A 8 0.676 8.863 -1.020 1.00 0.00 C ATOM 114 CG2 VAL A 8 0.538 7.188 -2.864 1.00 0.00 C ATOM 0 H VAL A 8 -1.222 8.137 -4.487 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.802 8.174 -1.639 1.00 0.00 H new ATOM 0 HB VAL A 8 0.594 9.326 -3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.760 8.754 -1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.409 9.874 -0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.231 8.144 -0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.623 7.085 -2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.096 6.467 -2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.168 7.001 -3.872 1.00 0.00 H new ATOM 124 N THR A 9 -2.570 10.535 -1.308 1.00 0.00 N ATOM 125 CA THR A 9 -2.968 11.955 -1.071 1.00 0.00 C ATOM 126 C THR A 9 -2.750 12.325 0.404 1.00 0.00 C ATOM 127 O THR A 9 -3.288 13.306 0.883 1.00 0.00 O ATOM 128 CB THR A 9 -4.446 12.133 -1.427 1.00 0.00 C ATOM 129 OG1 THR A 9 -4.789 11.238 -2.476 1.00 0.00 O ATOM 130 CG2 THR A 9 -4.695 13.572 -1.879 1.00 0.00 C ATOM 0 H THR A 9 -2.997 9.856 -0.678 1.00 0.00 H new ATOM 0 HA THR A 9 -2.356 12.606 -1.695 1.00 0.00 H new ATOM 0 HB THR A 9 -5.059 11.920 -0.551 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.736 11.349 -2.704 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.748 13.697 -2.132 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.432 14.257 -1.073 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.083 13.789 -2.754 1.00 0.00 H new ATOM 138 N ALA A 10 -1.965 11.557 1.124 1.00 0.00 N ATOM 139 CA ALA A 10 -1.715 11.872 2.559 1.00 0.00 C ATOM 140 C ALA A 10 -0.698 13.012 2.659 1.00 0.00 C ATOM 141 O ALA A 10 0.279 13.043 1.936 1.00 0.00 O ATOM 142 CB ALA A 10 -1.164 10.631 3.265 1.00 0.00 C ATOM 0 H ALA A 10 -1.488 10.726 0.775 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.648 12.174 3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.981 10.861 4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.888 9.819 3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.230 10.328 2.792 1.00 0.00 H new ATOM 148 N ASP A 11 -0.921 13.946 3.551 1.00 0.00 N ATOM 149 CA ASP A 11 0.030 15.090 3.704 1.00 0.00 C ATOM 150 C ASP A 11 1.424 14.560 4.052 1.00 0.00 C ATOM 151 O ASP A 11 2.419 15.003 3.507 1.00 0.00 O ATOM 152 CB ASP A 11 -0.459 16.012 4.823 1.00 0.00 C ATOM 153 CG ASP A 11 -1.293 17.147 4.225 1.00 0.00 C ATOM 154 OD1 ASP A 11 -2.340 16.858 3.672 1.00 0.00 O ATOM 155 OD2 ASP A 11 -0.869 18.286 4.332 1.00 0.00 O ATOM 0 H ASP A 11 -1.723 13.965 4.181 1.00 0.00 H new ATOM 0 HA ASP A 11 0.079 15.646 2.768 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.056 15.447 5.539 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.391 16.421 5.369 1.00 0.00 H new ATOM 160 N SER A 12 1.501 13.615 4.953 1.00 0.00 N ATOM 161 CA SER A 12 2.825 13.048 5.340 1.00 0.00 C ATOM 162 C SER A 12 3.324 12.117 4.232 1.00 0.00 C ATOM 163 O SER A 12 4.514 11.958 4.033 1.00 0.00 O ATOM 164 CB SER A 12 2.683 12.257 6.641 1.00 0.00 C ATOM 165 OG SER A 12 1.447 11.553 6.629 1.00 0.00 O ATOM 0 H SER A 12 0.700 13.211 5.439 1.00 0.00 H new ATOM 0 HA SER A 12 3.538 13.860 5.484 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.512 11.558 6.748 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.723 12.931 7.497 1.00 0.00 H new ATOM 0 HG SER A 12 1.353 11.043 7.461 1.00 0.00 H new ATOM 171 N GLY A 13 2.420 11.499 3.514 1.00 0.00 N ATOM 172 CA GLY A 13 2.832 10.573 2.419 1.00 0.00 C ATOM 173 C GLY A 13 2.839 9.139 2.949 1.00 0.00 C ATOM 174 O GLY A 13 2.315 8.860 4.011 1.00 0.00 O ATOM 0 H GLY A 13 1.413 11.597 3.640 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.146 10.659 1.577 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.822 10.843 2.052 1.00 0.00 H new ATOM 178 N ILE A 14 3.432 8.230 2.218 1.00 0.00 N ATOM 179 CA ILE A 14 3.478 6.812 2.676 1.00 0.00 C ATOM 180 C ILE A 14 4.851 6.518 3.286 1.00 0.00 C ATOM 181 O ILE A 14 5.724 5.972 2.637 1.00 0.00 O ATOM 182 CB ILE A 14 3.235 5.880 1.486 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.917 6.264 0.807 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.152 4.432 1.977 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.735 5.432 -0.464 1.00 0.00 C ATOM 0 H ILE A 14 3.886 8.411 1.323 1.00 0.00 H new ATOM 0 HA ILE A 14 2.705 6.648 3.426 1.00 0.00 H new ATOM 0 HB ILE A 14 4.056 5.974 0.775 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.083 6.095 1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.918 7.326 0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.979 3.770 1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.087 4.159 2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.330 4.335 2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.797 5.706 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.563 5.624 -1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.715 4.373 -0.206 1.00 0.00 H new ATOM 218 N ALA A 16 7.101 5.344 7.133 1.00 0.00 N ATOM 219 CA ALA A 16 7.061 4.200 8.100 1.00 0.00 C ATOM 220 C ALA A 16 5.697 4.076 8.801 1.00 0.00 C ATOM 221 O ALA A 16 5.239 2.979 9.059 1.00 0.00 O ATOM 222 CB ALA A 16 8.148 4.399 9.156 1.00 0.00 C ATOM 0 HA ALA A 16 7.229 3.283 7.535 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.124 3.570 9.863 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.124 4.435 8.671 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.972 5.334 9.688 1.00 0.00 H new ATOM 228 N ARG A 17 5.055 5.171 9.139 1.00 0.00 N ATOM 229 CA ARG A 17 3.736 5.076 9.853 1.00 0.00 C ATOM 230 C ARG A 17 2.722 4.265 9.015 1.00 0.00 C ATOM 231 O ARG A 17 2.264 3.231 9.465 1.00 0.00 O ATOM 232 CB ARG A 17 3.191 6.479 10.134 1.00 0.00 C ATOM 233 CG ARG A 17 3.670 6.957 11.512 1.00 0.00 C ATOM 234 CD ARG A 17 2.518 6.892 12.520 1.00 0.00 C ATOM 235 NE ARG A 17 3.008 6.295 13.794 1.00 0.00 N ATOM 236 CZ ARG A 17 3.430 7.067 14.758 1.00 0.00 C ATOM 237 NH1 ARG A 17 4.580 7.676 14.651 1.00 0.00 N ATOM 238 NH2 ARG A 17 2.702 7.232 15.828 1.00 0.00 N ATOM 0 H ARG A 17 5.382 6.119 8.954 1.00 0.00 H new ATOM 0 HA ARG A 17 3.889 4.559 10.801 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.527 7.171 9.362 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.102 6.469 10.101 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.498 6.336 11.854 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.045 7.978 11.442 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.123 7.891 12.702 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.700 6.295 12.116 1.00 0.00 H new ATOM 0 HE ARG A 17 3.014 5.282 13.913 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.149 7.548 13.814 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.910 8.279 15.404 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.803 6.758 15.911 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.032 7.835 16.581 1.00 0.00 H new ATOM 252 N PRO A 18 2.398 4.726 7.818 1.00 0.00 N ATOM 253 CA PRO A 18 1.448 4.002 6.949 1.00 0.00 C ATOM 254 C PRO A 18 2.066 2.693 6.438 1.00 0.00 C ATOM 255 O PRO A 18 1.370 1.831 5.935 1.00 0.00 O ATOM 256 CB PRO A 18 1.176 4.981 5.804 1.00 0.00 C ATOM 257 CG PRO A 18 2.369 5.959 5.781 1.00 0.00 C ATOM 258 CD PRO A 18 2.934 5.971 7.211 1.00 0.00 C ATOM 0 HA PRO A 18 0.534 3.711 7.467 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.087 4.454 4.854 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.239 5.514 5.962 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.125 5.636 5.065 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.050 6.957 5.479 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.024 5.978 7.210 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.611 6.855 7.761 1.00 0.00 H new ATOM 266 N ALA A 19 3.361 2.528 6.582 1.00 0.00 N ATOM 267 CA ALA A 19 4.013 1.268 6.124 1.00 0.00 C ATOM 268 C ALA A 19 3.789 0.179 7.179 1.00 0.00 C ATOM 269 O ALA A 19 3.780 -0.998 6.874 1.00 0.00 O ATOM 270 CB ALA A 19 5.513 1.505 5.940 1.00 0.00 C ATOM 0 H ALA A 19 3.991 3.214 6.998 1.00 0.00 H new ATOM 0 HA ALA A 19 3.582 0.954 5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.989 0.583 5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.669 2.285 5.195 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.951 1.816 6.888 1.00 0.00 H new ATOM 276 N THR A 20 3.598 0.568 8.419 1.00 0.00 N ATOM 277 CA THR A 20 3.360 -0.434 9.497 1.00 0.00 C ATOM 278 C THR A 20 1.885 -0.841 9.484 1.00 0.00 C ATOM 279 O THR A 20 1.536 -1.952 9.834 1.00 0.00 O ATOM 280 CB THR A 20 3.706 0.184 10.854 1.00 0.00 C ATOM 281 OG1 THR A 20 4.756 1.126 10.690 1.00 0.00 O ATOM 282 CG2 THR A 20 4.150 -0.916 11.819 1.00 0.00 C ATOM 0 H THR A 20 3.598 1.540 8.727 1.00 0.00 H new ATOM 0 HA THR A 20 3.986 -1.311 9.329 1.00 0.00 H new ATOM 0 HB THR A 20 2.828 0.686 11.259 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.419 1.912 10.211 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.396 -0.475 12.785 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.343 -1.637 11.945 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.028 -1.421 11.416 1.00 0.00 H new ATOM 290 N VAL A 21 1.020 0.053 9.073 1.00 0.00 N ATOM 291 CA VAL A 21 -0.435 -0.270 9.025 1.00 0.00 C ATOM 292 C VAL A 21 -0.685 -1.252 7.885 1.00 0.00 C ATOM 293 O VAL A 21 -1.421 -2.211 8.018 1.00 0.00 O ATOM 294 CB VAL A 21 -1.236 1.001 8.757 1.00 0.00 C ATOM 295 CG1 VAL A 21 -2.732 0.696 8.874 1.00 0.00 C ATOM 296 CG2 VAL A 21 -0.860 2.086 9.773 1.00 0.00 C ATOM 0 H VAL A 21 1.262 0.996 8.768 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.742 -0.703 9.977 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.009 1.357 7.752 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.304 1.604 8.683 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.006 -0.066 8.145 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.952 0.333 9.878 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.438 2.988 9.572 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.078 1.732 10.781 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.203 2.310 9.689 1.00 0.00 H new ATOM 306 N LEU A 22 -0.080 -0.995 6.761 1.00 0.00 N ATOM 307 CA LEU A 22 -0.263 -1.873 5.578 1.00 0.00 C ATOM 308 C LEU A 22 0.399 -3.232 5.813 1.00 0.00 C ATOM 309 O LEU A 22 -0.215 -4.263 5.633 1.00 0.00 O ATOM 310 CB LEU A 22 0.375 -1.193 4.372 1.00 0.00 C ATOM 311 CG LEU A 22 -0.407 0.078 4.039 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.332 0.852 2.948 1.00 0.00 C ATOM 313 CD2 LEU A 22 -1.803 -0.298 3.537 1.00 0.00 C ATOM 0 H LEU A 22 0.543 -0.201 6.611 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.327 -2.036 5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.416 -0.949 4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.375 -1.869 3.517 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.497 0.696 4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.222 1.759 2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.328 1.118 3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.418 0.231 2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.361 0.608 3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.714 -0.914 2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.330 -0.856 4.311 1.00 0.00 H new ATOM 325 N VAL A 23 1.651 -3.245 6.207 1.00 0.00 N ATOM 326 CA VAL A 23 2.359 -4.547 6.443 1.00 0.00 C ATOM 327 C VAL A 23 1.547 -5.423 7.413 1.00 0.00 C ATOM 328 O VAL A 23 1.594 -6.637 7.349 1.00 0.00 O ATOM 329 CB VAL A 23 3.757 -4.269 7.020 1.00 0.00 C ATOM 330 CG1 VAL A 23 3.636 -3.557 8.368 1.00 0.00 C ATOM 331 CG2 VAL A 23 4.509 -5.591 7.210 1.00 0.00 C ATOM 0 H VAL A 23 2.214 -2.411 6.376 1.00 0.00 H new ATOM 0 HA VAL A 23 2.460 -5.081 5.498 1.00 0.00 H new ATOM 0 HB VAL A 23 4.305 -3.632 6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.631 -3.365 8.768 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.110 -2.612 8.234 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.081 -4.186 9.063 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.499 -5.391 7.619 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.955 -6.229 7.898 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.609 -6.094 6.248 1.00 0.00 H new ATOM 341 N GLN A 24 0.805 -4.812 8.300 1.00 0.00 N ATOM 342 CA GLN A 24 -0.012 -5.600 9.271 1.00 0.00 C ATOM 343 C GLN A 24 -1.177 -6.272 8.535 1.00 0.00 C ATOM 344 O GLN A 24 -1.515 -7.409 8.801 1.00 0.00 O ATOM 345 CB GLN A 24 -0.563 -4.664 10.352 1.00 0.00 C ATOM 346 CG GLN A 24 0.525 -4.372 11.397 1.00 0.00 C ATOM 347 CD GLN A 24 0.058 -4.834 12.781 1.00 0.00 C ATOM 348 OE1 GLN A 24 -1.096 -4.680 13.129 1.00 0.00 O ATOM 349 NE2 GLN A 24 0.913 -5.399 13.589 1.00 0.00 N ATOM 0 H GLN A 24 0.729 -3.799 8.394 1.00 0.00 H new ATOM 0 HA GLN A 24 0.613 -6.364 9.734 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.904 -3.733 9.899 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.428 -5.120 10.833 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.448 -4.884 11.126 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.746 -3.305 11.416 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.882 -5.528 13.297 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.612 -5.711 14.512 1.00 0.00 H new ATOM 358 N THR A 25 -1.793 -5.570 7.617 1.00 0.00 N ATOM 359 CA THR A 25 -2.943 -6.155 6.861 1.00 0.00 C ATOM 360 C THR A 25 -2.444 -7.260 5.924 1.00 0.00 C ATOM 361 O THR A 25 -2.799 -8.414 6.069 1.00 0.00 O ATOM 362 CB THR A 25 -3.619 -5.057 6.037 1.00 0.00 C ATOM 363 OG1 THR A 25 -3.889 -3.940 6.873 1.00 0.00 O ATOM 364 CG2 THR A 25 -4.927 -5.588 5.452 1.00 0.00 C ATOM 0 H THR A 25 -1.548 -4.614 7.358 1.00 0.00 H new ATOM 0 HA THR A 25 -3.658 -6.579 7.566 1.00 0.00 H new ATOM 0 HB THR A 25 -2.959 -4.752 5.225 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.320 -3.235 6.347 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.408 -4.805 4.865 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.718 -6.445 4.811 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.590 -5.894 6.261 1.00 0.00 H new ATOM 372 N ALA A 26 -1.630 -6.912 4.958 1.00 0.00 N ATOM 373 CA ALA A 26 -1.104 -7.929 3.995 1.00 0.00 C ATOM 374 C ALA A 26 -0.419 -9.077 4.748 1.00 0.00 C ATOM 375 O ALA A 26 -0.328 -10.182 4.249 1.00 0.00 O ATOM 376 CB ALA A 26 -0.093 -7.262 3.059 1.00 0.00 C ATOM 0 H ALA A 26 -1.305 -5.959 4.794 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.936 -8.334 3.419 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.293 -8.000 2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.582 -6.457 2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.731 -6.853 3.645 1.00 0.00 H new ATOM 382 N SER A 27 0.060 -8.824 5.944 1.00 0.00 N ATOM 383 CA SER A 27 0.734 -9.905 6.730 1.00 0.00 C ATOM 384 C SER A 27 -0.253 -11.052 6.964 1.00 0.00 C ATOM 385 O SER A 27 0.077 -12.211 6.800 1.00 0.00 O ATOM 386 CB SER A 27 1.200 -9.344 8.076 1.00 0.00 C ATOM 387 OG SER A 27 1.509 -10.418 8.954 1.00 0.00 O ATOM 0 H SER A 27 0.013 -7.917 6.408 1.00 0.00 H new ATOM 0 HA SER A 27 1.597 -10.276 6.177 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.076 -8.712 7.935 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.421 -8.717 8.510 1.00 0.00 H new ATOM 0 HG SER A 27 1.809 -10.060 9.816 1.00 0.00 H new ATOM 393 N LYS A 28 -1.465 -10.730 7.339 1.00 0.00 N ATOM 394 CA LYS A 28 -2.487 -11.789 7.579 1.00 0.00 C ATOM 395 C LYS A 28 -2.800 -12.497 6.257 1.00 0.00 C ATOM 396 O LYS A 28 -3.157 -13.660 6.238 1.00 0.00 O ATOM 397 CB LYS A 28 -3.763 -11.151 8.134 1.00 0.00 C ATOM 398 CG LYS A 28 -3.430 -10.372 9.410 1.00 0.00 C ATOM 399 CD LYS A 28 -4.355 -9.154 9.527 1.00 0.00 C ATOM 400 CE LYS A 28 -5.491 -9.460 10.509 1.00 0.00 C ATOM 401 NZ LYS A 28 -5.163 -8.882 11.843 1.00 0.00 N ATOM 0 H LYS A 28 -1.790 -9.775 7.489 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.103 -12.512 8.299 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.202 -10.484 7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.504 -11.921 8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.548 -11.015 10.282 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.389 -10.050 9.390 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.789 -8.287 9.869 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.765 -8.901 8.549 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.428 -9.042 10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.634 -10.537 10.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.933 -9.089 12.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.278 -9.301 12.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.048 -7.852 11.756 1.00 0.00 H new ATOM 415 N TYR A 29 -2.665 -11.803 5.153 1.00 0.00 N ATOM 416 CA TYR A 29 -2.949 -12.432 3.828 1.00 0.00 C ATOM 417 C TYR A 29 -1.670 -13.072 3.289 1.00 0.00 C ATOM 418 O TYR A 29 -0.623 -12.454 3.253 1.00 0.00 O ATOM 419 CB TYR A 29 -3.443 -11.364 2.848 1.00 0.00 C ATOM 420 CG TYR A 29 -4.709 -10.742 3.385 1.00 0.00 C ATOM 421 CD1 TYR A 29 -5.913 -11.455 3.335 1.00 0.00 C ATOM 422 CD2 TYR A 29 -4.679 -9.456 3.939 1.00 0.00 C ATOM 423 CE1 TYR A 29 -7.087 -10.881 3.837 1.00 0.00 C ATOM 424 CE2 TYR A 29 -5.853 -8.884 4.442 1.00 0.00 C ATOM 425 CZ TYR A 29 -7.057 -9.596 4.391 1.00 0.00 C ATOM 426 OH TYR A 29 -8.214 -9.033 4.890 1.00 0.00 O ATOM 0 H TYR A 29 -2.370 -10.827 5.114 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.718 -13.196 3.943 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.679 -10.599 2.710 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.629 -11.809 1.871 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.936 -12.447 2.909 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.750 -8.906 3.978 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.016 -11.430 3.797 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.830 -7.893 4.870 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.991 -8.422 5.623 1.00 0.00 H new ATOM 436 N ASP A 30 -1.748 -14.311 2.877 1.00 0.00 N ATOM 437 CA ASP A 30 -0.542 -15.010 2.343 1.00 0.00 C ATOM 438 C ASP A 30 -0.358 -14.706 0.848 1.00 0.00 C ATOM 439 O ASP A 30 0.645 -15.067 0.263 1.00 0.00 O ATOM 440 CB ASP A 30 -0.705 -16.519 2.537 1.00 0.00 C ATOM 441 CG ASP A 30 -0.278 -16.899 3.955 1.00 0.00 C ATOM 442 OD1 ASP A 30 -0.640 -16.184 4.875 1.00 0.00 O ATOM 443 OD2 ASP A 30 0.403 -17.902 4.099 1.00 0.00 O ATOM 0 H ASP A 30 -2.600 -14.871 2.888 1.00 0.00 H new ATOM 0 HA ASP A 30 0.336 -14.656 2.883 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.742 -16.808 2.368 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.101 -17.058 1.807 1.00 0.00 H new ATOM 448 N ALA A 31 -1.312 -14.051 0.222 1.00 0.00 N ATOM 449 CA ALA A 31 -1.177 -13.736 -1.233 1.00 0.00 C ATOM 450 C ALA A 31 0.062 -12.864 -1.460 1.00 0.00 C ATOM 451 O ALA A 31 0.659 -12.364 -0.526 1.00 0.00 O ATOM 452 CB ALA A 31 -2.423 -12.987 -1.710 1.00 0.00 C ATOM 0 H ALA A 31 -2.174 -13.724 0.658 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.072 -14.664 -1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.325 -12.757 -2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.304 -13.609 -1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.529 -12.060 -1.146 1.00 0.00 H new ATOM 458 N ASP A 32 0.449 -12.684 -2.696 1.00 0.00 N ATOM 459 CA ASP A 32 1.650 -11.850 -2.999 1.00 0.00 C ATOM 460 C ASP A 32 1.208 -10.427 -3.340 1.00 0.00 C ATOM 461 O ASP A 32 1.005 -10.089 -4.490 1.00 0.00 O ATOM 462 CB ASP A 32 2.402 -12.450 -4.190 1.00 0.00 C ATOM 463 CG ASP A 32 2.950 -13.826 -3.805 1.00 0.00 C ATOM 464 OD1 ASP A 32 2.198 -14.784 -3.880 1.00 0.00 O ATOM 465 OD2 ASP A 32 4.112 -13.899 -3.442 1.00 0.00 O ATOM 0 H ASP A 32 -0.017 -13.081 -3.512 1.00 0.00 H new ATOM 0 HA ASP A 32 2.306 -11.829 -2.129 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.735 -12.539 -5.048 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.218 -11.792 -4.488 1.00 0.00 H new ATOM 470 N VAL A 33 1.058 -9.593 -2.344 1.00 0.00 N ATOM 471 CA VAL A 33 0.628 -8.184 -2.594 1.00 0.00 C ATOM 472 C VAL A 33 1.860 -7.277 -2.661 1.00 0.00 C ATOM 473 O VAL A 33 2.399 -6.869 -1.650 1.00 0.00 O ATOM 474 CB VAL A 33 -0.296 -7.723 -1.460 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.618 -8.501 -1.524 1.00 0.00 C ATOM 476 CG2 VAL A 33 0.384 -7.971 -0.103 1.00 0.00 C ATOM 0 H VAL A 33 1.215 -9.828 -1.364 1.00 0.00 H new ATOM 0 HA VAL A 33 0.091 -8.129 -3.541 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.498 -6.658 -1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.273 -8.172 -0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.102 -8.317 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.418 -9.567 -1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.276 -7.642 0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.592 -9.035 0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.319 -7.412 -0.057 1.00 0.00 H new ATOM 486 N ASN A 34 2.309 -6.964 -3.850 1.00 0.00 N ATOM 487 CA ASN A 34 3.510 -6.089 -3.998 1.00 0.00 C ATOM 488 C ASN A 34 3.083 -4.702 -4.485 1.00 0.00 C ATOM 489 O ASN A 34 2.326 -4.569 -5.427 1.00 0.00 O ATOM 490 CB ASN A 34 4.470 -6.711 -5.016 1.00 0.00 C ATOM 491 CG ASN A 34 4.771 -8.158 -4.621 1.00 0.00 C ATOM 492 OD1 ASN A 34 5.730 -8.423 -3.922 1.00 0.00 O ATOM 493 ND2 ASN A 34 3.986 -9.112 -5.040 1.00 0.00 N ATOM 0 H ASN A 34 1.894 -7.278 -4.727 1.00 0.00 H new ATOM 0 HA ASN A 34 4.008 -5.995 -3.033 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.029 -6.680 -6.013 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.395 -6.135 -5.058 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.177 -10.080 -4.781 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.181 -8.890 -5.626 1.00 0.00 H new ATOM 500 N LEU A 35 3.570 -3.668 -3.846 1.00 0.00 N ATOM 501 CA LEU A 35 3.207 -2.281 -4.260 1.00 0.00 C ATOM 502 C LEU A 35 4.212 -1.784 -5.303 1.00 0.00 C ATOM 503 O LEU A 35 5.348 -2.219 -5.337 1.00 0.00 O ATOM 504 CB LEU A 35 3.244 -1.360 -3.036 1.00 0.00 C ATOM 505 CG LEU A 35 2.703 0.022 -3.415 1.00 0.00 C ATOM 506 CD1 LEU A 35 1.920 0.607 -2.234 1.00 0.00 C ATOM 507 CD2 LEU A 35 3.871 0.950 -3.760 1.00 0.00 C ATOM 0 H LEU A 35 4.207 -3.727 -3.051 1.00 0.00 H new ATOM 0 HA LEU A 35 2.205 -2.277 -4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.647 -1.786 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.265 -1.273 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 35 2.044 -0.071 -4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.535 1.590 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.088 -0.053 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.579 0.700 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.487 1.934 -4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.530 1.042 -2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.429 0.536 -4.600 1.00 0.00 H new ATOM 519 N GLU A 36 3.801 -0.878 -6.154 1.00 0.00 N ATOM 520 CA GLU A 36 4.726 -0.349 -7.201 1.00 0.00 C ATOM 521 C GLU A 36 4.768 1.180 -7.119 1.00 0.00 C ATOM 522 O GLU A 36 3.778 1.818 -6.815 1.00 0.00 O ATOM 523 CB GLU A 36 4.226 -0.773 -8.584 1.00 0.00 C ATOM 524 CG GLU A 36 5.271 -0.412 -9.642 1.00 0.00 C ATOM 525 CD GLU A 36 6.288 -1.547 -9.763 1.00 0.00 C ATOM 526 OE1 GLU A 36 5.866 -2.690 -9.827 1.00 0.00 O ATOM 527 OE2 GLU A 36 7.473 -1.255 -9.788 1.00 0.00 O ATOM 0 H GLU A 36 2.862 -0.481 -6.168 1.00 0.00 H new ATOM 0 HA GLU A 36 5.727 -0.749 -7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.034 -1.846 -8.599 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.281 -0.277 -8.808 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.786 -0.240 -10.603 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.775 0.515 -9.369 1.00 0.00 H new ATOM 534 N TYR A 37 5.907 1.769 -7.387 1.00 0.00 N ATOM 535 CA TYR A 37 6.016 3.256 -7.326 1.00 0.00 C ATOM 536 C TYR A 37 7.236 3.721 -8.127 1.00 0.00 C ATOM 537 O TYR A 37 8.366 3.528 -7.718 1.00 0.00 O ATOM 538 CB TYR A 37 6.163 3.698 -5.867 1.00 0.00 C ATOM 539 CG TYR A 37 6.114 5.206 -5.787 1.00 0.00 C ATOM 540 CD1 TYR A 37 5.031 5.903 -6.337 1.00 0.00 C ATOM 541 CD2 TYR A 37 7.153 5.907 -5.164 1.00 0.00 C ATOM 542 CE1 TYR A 37 4.986 7.299 -6.263 1.00 0.00 C ATOM 543 CE2 TYR A 37 7.109 7.305 -5.091 1.00 0.00 C ATOM 544 CZ TYR A 37 6.026 8.001 -5.640 1.00 0.00 C ATOM 545 OH TYR A 37 5.984 9.378 -5.568 1.00 0.00 O ATOM 0 H TYR A 37 6.765 1.283 -7.645 1.00 0.00 H new ATOM 0 HA TYR A 37 5.117 3.700 -7.753 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.365 3.266 -5.263 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.105 3.332 -5.459 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.230 5.362 -6.819 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.988 5.370 -4.740 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.150 7.836 -6.686 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.911 7.846 -4.611 1.00 0.00 H new ATOM 0 HH TYR A 37 6.782 9.706 -5.103 1.00 0.00 H new ATOM 555 N ASN A 38 7.014 4.337 -9.261 1.00 0.00 N ATOM 556 CA ASN A 38 8.153 4.828 -10.096 1.00 0.00 C ATOM 557 C ASN A 38 9.066 3.655 -10.477 1.00 0.00 C ATOM 558 O ASN A 38 10.270 3.709 -10.305 1.00 0.00 O ATOM 559 CB ASN A 38 8.952 5.870 -9.304 1.00 0.00 C ATOM 560 CG ASN A 38 9.462 6.957 -10.254 1.00 0.00 C ATOM 561 OD1 ASN A 38 10.596 6.919 -10.687 1.00 0.00 O ATOM 562 ND2 ASN A 38 8.664 7.930 -10.599 1.00 0.00 N ATOM 0 H ASN A 38 6.088 4.522 -9.646 1.00 0.00 H new ATOM 0 HA ASN A 38 7.763 5.283 -11.006 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.324 6.314 -8.531 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.791 5.392 -8.798 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.993 8.659 -11.232 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.712 7.962 -10.235 1.00 0.00 H new ATOM 569 N GLY A 39 8.498 2.596 -10.996 1.00 0.00 N ATOM 570 CA GLY A 39 9.322 1.417 -11.394 1.00 0.00 C ATOM 571 C GLY A 39 9.995 0.811 -10.160 1.00 0.00 C ATOM 572 O GLY A 39 11.049 0.210 -10.252 1.00 0.00 O ATOM 0 H GLY A 39 7.496 2.498 -11.161 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.694 0.670 -11.880 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.077 1.719 -12.120 1.00 0.00 H new ATOM 576 N LYS A 40 9.392 0.960 -9.007 1.00 0.00 N ATOM 577 CA LYS A 40 9.988 0.390 -7.763 1.00 0.00 C ATOM 578 C LYS A 40 8.983 -0.566 -7.118 1.00 0.00 C ATOM 579 O LYS A 40 8.078 -0.148 -6.419 1.00 0.00 O ATOM 580 CB LYS A 40 10.319 1.521 -6.786 1.00 0.00 C ATOM 581 CG LYS A 40 11.211 2.552 -7.479 1.00 0.00 C ATOM 582 CD LYS A 40 12.167 3.170 -6.456 1.00 0.00 C ATOM 583 CE LYS A 40 13.435 2.313 -6.339 1.00 0.00 C ATOM 584 NZ LYS A 40 13.621 1.896 -4.920 1.00 0.00 N ATOM 0 H LYS A 40 8.509 1.454 -8.875 1.00 0.00 H new ATOM 0 HA LYS A 40 10.902 -0.150 -8.009 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.401 1.995 -6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.824 1.120 -5.907 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.777 2.078 -8.281 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.599 3.329 -7.936 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.430 4.184 -6.758 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.677 3.243 -5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.354 1.435 -6.980 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.302 2.878 -6.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.480 1.315 -4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.716 2.740 -4.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.797 1.342 -4.610 1.00 0.00 H new ATOM 598 N THR A 41 9.130 -1.844 -7.356 1.00 0.00 N ATOM 599 CA THR A 41 8.180 -2.834 -6.770 1.00 0.00 C ATOM 600 C THR A 41 8.708 -3.335 -5.424 1.00 0.00 C ATOM 601 O THR A 41 9.580 -4.182 -5.368 1.00 0.00 O ATOM 602 CB THR A 41 8.029 -4.021 -7.725 1.00 0.00 C ATOM 603 OG1 THR A 41 8.094 -3.559 -9.067 1.00 0.00 O ATOM 604 CG2 THR A 41 6.681 -4.704 -7.483 1.00 0.00 C ATOM 0 H THR A 41 9.870 -2.245 -7.933 1.00 0.00 H new ATOM 0 HA THR A 41 7.213 -2.353 -6.620 1.00 0.00 H new ATOM 0 HB THR A 41 8.833 -4.735 -7.547 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.309 -2.603 -9.074 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.574 -5.549 -8.163 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.632 -5.058 -6.453 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.875 -3.992 -7.660 1.00 0.00 H new ATOM 612 N VAL A 42 8.169 -2.831 -4.343 1.00 0.00 N ATOM 613 CA VAL A 42 8.618 -3.292 -2.991 1.00 0.00 C ATOM 614 C VAL A 42 7.533 -4.170 -2.381 1.00 0.00 C ATOM 615 O VAL A 42 6.356 -3.964 -2.611 1.00 0.00 O ATOM 616 CB VAL A 42 8.881 -2.106 -2.044 1.00 0.00 C ATOM 617 CG1 VAL A 42 10.302 -1.578 -2.252 1.00 0.00 C ATOM 618 CG2 VAL A 42 7.870 -0.977 -2.292 1.00 0.00 C ATOM 0 H VAL A 42 7.437 -2.120 -4.337 1.00 0.00 H new ATOM 0 HA VAL A 42 9.548 -3.846 -3.115 1.00 0.00 H new ATOM 0 HB VAL A 42 8.769 -2.455 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.481 -0.739 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.019 -2.371 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.420 -1.247 -3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.074 -0.150 -1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.957 -0.631 -3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.860 -1.348 -2.118 1.00 0.00 H new ATOM 628 N ASN A 43 7.919 -5.143 -1.601 1.00 0.00 N ATOM 629 CA ASN A 43 6.913 -6.037 -0.964 1.00 0.00 C ATOM 630 C ASN A 43 6.115 -5.235 0.063 1.00 0.00 C ATOM 631 O ASN A 43 6.672 -4.485 0.842 1.00 0.00 O ATOM 632 CB ASN A 43 7.631 -7.190 -0.262 1.00 0.00 C ATOM 633 CG ASN A 43 6.658 -8.355 -0.070 1.00 0.00 C ATOM 634 OD1 ASN A 43 5.467 -8.152 0.061 1.00 0.00 O ATOM 635 ND2 ASN A 43 7.117 -9.576 -0.049 1.00 0.00 N ATOM 0 H ASN A 43 8.891 -5.357 -1.377 1.00 0.00 H new ATOM 0 HA ASN A 43 6.241 -6.437 -1.723 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.489 -7.512 -0.853 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.015 -6.860 0.703 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.476 -10.360 0.077 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.117 -9.747 -0.159 1.00 0.00 H new ATOM 642 N LEU A 44 4.812 -5.391 0.078 1.00 0.00 N ATOM 643 CA LEU A 44 3.967 -4.641 1.063 1.00 0.00 C ATOM 644 C LEU A 44 4.494 -4.897 2.485 1.00 0.00 C ATOM 645 O LEU A 44 4.333 -4.081 3.373 1.00 0.00 O ATOM 646 CB LEU A 44 2.507 -5.122 0.931 1.00 0.00 C ATOM 647 CG LEU A 44 1.511 -4.151 1.605 1.00 0.00 C ATOM 648 CD1 LEU A 44 1.640 -4.243 3.127 1.00 0.00 C ATOM 649 CD2 LEU A 44 1.757 -2.701 1.152 1.00 0.00 C ATOM 0 H LEU A 44 4.296 -6.007 -0.551 1.00 0.00 H new ATOM 0 HA LEU A 44 4.011 -3.570 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.254 -5.225 -0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.409 -6.110 1.380 1.00 0.00 H new ATOM 0 HG LEU A 44 0.503 -4.439 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.935 -3.556 3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.422 -5.261 3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.655 -3.978 3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.042 -2.040 1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.770 -2.403 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.633 -2.632 0.071 1.00 0.00 H new ATOM 661 N LYS A 45 5.149 -6.015 2.691 1.00 0.00 N ATOM 662 CA LYS A 45 5.716 -6.325 4.035 1.00 0.00 C ATOM 663 C LYS A 45 7.149 -5.783 4.103 1.00 0.00 C ATOM 664 O LYS A 45 8.087 -6.499 4.402 1.00 0.00 O ATOM 665 CB LYS A 45 5.721 -7.843 4.246 1.00 0.00 C ATOM 666 CG LYS A 45 4.306 -8.398 4.048 1.00 0.00 C ATOM 667 CD LYS A 45 4.378 -9.742 3.318 1.00 0.00 C ATOM 668 CE LYS A 45 3.064 -9.992 2.572 1.00 0.00 C ATOM 669 NZ LYS A 45 2.750 -11.448 2.596 1.00 0.00 N ATOM 0 H LYS A 45 5.314 -6.727 1.980 1.00 0.00 H new ATOM 0 HA LYS A 45 5.112 -5.860 4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.408 -8.315 3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.077 -8.079 5.249 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.815 -8.523 5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.705 -7.693 3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.212 -9.742 2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.562 -10.545 4.031 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.256 -9.427 3.037 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.146 -9.643 1.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.858 -11.619 2.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.517 -11.976 2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.655 -11.767 3.581 1.00 0.00 H new ATOM 683 N SER A 46 7.318 -4.515 3.826 1.00 0.00 N ATOM 684 CA SER A 46 8.675 -3.895 3.867 1.00 0.00 C ATOM 685 C SER A 46 8.530 -2.456 4.354 1.00 0.00 C ATOM 686 O SER A 46 8.420 -1.532 3.571 1.00 0.00 O ATOM 687 CB SER A 46 9.294 -3.912 2.464 1.00 0.00 C ATOM 688 OG SER A 46 10.707 -3.991 2.578 1.00 0.00 O ATOM 0 H SER A 46 6.564 -3.877 3.570 1.00 0.00 H new ATOM 0 HA SER A 46 9.325 -4.454 4.541 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.915 -4.762 1.897 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.011 -3.012 1.918 1.00 0.00 H new ATOM 0 HG SER A 46 11.107 -4.004 1.684 1.00 0.00 H new ATOM 694 N ILE A 47 8.508 -2.267 5.647 1.00 0.00 N ATOM 695 CA ILE A 47 8.344 -0.896 6.210 1.00 0.00 C ATOM 696 C ILE A 47 9.579 -0.047 5.897 1.00 0.00 C ATOM 697 O ILE A 47 9.470 1.121 5.574 1.00 0.00 O ATOM 698 CB ILE A 47 8.153 -0.989 7.726 1.00 0.00 C ATOM 699 CG1 ILE A 47 6.988 -1.953 8.021 1.00 0.00 C ATOM 700 CG2 ILE A 47 7.839 0.408 8.284 1.00 0.00 C ATOM 701 CD1 ILE A 47 6.699 -1.995 9.525 1.00 0.00 C ATOM 0 H ILE A 47 8.597 -3.009 6.341 1.00 0.00 H new ATOM 0 HA ILE A 47 7.470 -0.426 5.759 1.00 0.00 H new ATOM 0 HB ILE A 47 9.061 -1.363 8.199 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.097 -1.633 7.482 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.235 -2.953 7.663 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.702 0.346 9.364 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.665 1.083 8.061 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.927 0.787 7.824 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.874 -2.680 9.718 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.587 -2.338 10.057 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.431 -0.997 9.872 1.00 0.00 H new ATOM 713 N MET A 48 10.750 -0.623 5.993 1.00 0.00 N ATOM 714 CA MET A 48 11.994 0.152 5.705 1.00 0.00 C ATOM 715 C MET A 48 12.139 0.360 4.193 1.00 0.00 C ATOM 716 O MET A 48 12.738 1.321 3.748 1.00 0.00 O ATOM 717 CB MET A 48 13.208 -0.618 6.231 1.00 0.00 C ATOM 718 CG MET A 48 14.448 0.276 6.163 1.00 0.00 C ATOM 719 SD MET A 48 15.875 -0.619 6.824 1.00 0.00 S ATOM 720 CE MET A 48 17.091 0.703 6.607 1.00 0.00 C ATOM 0 H MET A 48 10.898 -1.597 6.258 1.00 0.00 H new ATOM 0 HA MET A 48 11.934 1.122 6.198 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.032 -0.937 7.258 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.364 -1.520 5.639 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.638 0.574 5.132 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.282 1.190 6.734 1.00 0.00 H new ATOM 0 HE1 MET A 48 18.065 0.362 6.957 1.00 0.00 H new ATOM 0 HE2 MET A 48 17.157 0.967 5.552 1.00 0.00 H new ATOM 0 HE3 MET A 48 16.784 1.577 7.181 1.00 0.00 H new ATOM 730 N GLY A 49 11.599 -0.536 3.405 1.00 0.00 N ATOM 731 CA GLY A 49 11.707 -0.397 1.921 1.00 0.00 C ATOM 732 C GLY A 49 10.771 0.711 1.433 1.00 0.00 C ATOM 733 O GLY A 49 11.054 1.387 0.462 1.00 0.00 O ATOM 0 H GLY A 49 11.088 -1.358 3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.735 -0.166 1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.451 -1.340 1.439 1.00 0.00 H new ATOM 737 N VAL A 50 9.657 0.899 2.096 1.00 0.00 N ATOM 738 CA VAL A 50 8.697 1.960 1.672 1.00 0.00 C ATOM 739 C VAL A 50 9.320 3.341 1.898 1.00 0.00 C ATOM 740 O VAL A 50 9.147 4.245 1.103 1.00 0.00 O ATOM 741 CB VAL A 50 7.408 1.838 2.491 1.00 0.00 C ATOM 742 CG1 VAL A 50 6.370 2.834 1.965 1.00 0.00 C ATOM 743 CG2 VAL A 50 6.856 0.409 2.375 1.00 0.00 C ATOM 0 H VAL A 50 9.372 0.361 2.914 1.00 0.00 H new ATOM 0 HA VAL A 50 8.468 1.838 0.613 1.00 0.00 H new ATOM 0 HB VAL A 50 7.623 2.058 3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.453 2.746 2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.761 3.848 2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.156 2.618 0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.939 0.325 2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.643 0.185 1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.594 -0.298 2.754 1.00 0.00 H new ATOM 753 N VAL A 51 10.040 3.509 2.977 1.00 0.00 N ATOM 754 CA VAL A 51 10.675 4.830 3.263 1.00 0.00 C ATOM 755 C VAL A 51 11.788 5.097 2.245 1.00 0.00 C ATOM 756 O VAL A 51 12.083 6.233 1.923 1.00 0.00 O ATOM 757 CB VAL A 51 11.264 4.818 4.677 1.00 0.00 C ATOM 758 CG1 VAL A 51 11.797 6.209 5.023 1.00 0.00 C ATOM 759 CG2 VAL A 51 10.172 4.429 5.676 1.00 0.00 C ATOM 0 H VAL A 51 10.216 2.786 3.674 1.00 0.00 H new ATOM 0 HA VAL A 51 9.924 5.616 3.190 1.00 0.00 H new ATOM 0 HB VAL A 51 12.080 4.096 4.725 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.216 6.198 6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.573 6.489 4.310 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.983 6.933 4.976 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.587 4.419 6.684 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.358 5.153 5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.791 3.437 5.431 1.00 0.00 H new ATOM 769 N SER A 52 12.406 4.059 1.738 1.00 0.00 N ATOM 770 CA SER A 52 13.500 4.247 0.741 1.00 0.00 C ATOM 771 C SER A 52 12.928 4.850 -0.543 1.00 0.00 C ATOM 772 O SER A 52 13.605 5.566 -1.257 1.00 0.00 O ATOM 773 CB SER A 52 14.145 2.896 0.429 1.00 0.00 C ATOM 774 OG SER A 52 13.270 2.134 -0.392 1.00 0.00 O ATOM 0 H SER A 52 12.198 3.089 1.973 1.00 0.00 H new ATOM 0 HA SER A 52 14.251 4.921 1.152 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.099 3.044 -0.077 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.354 2.358 1.354 1.00 0.00 H new ATOM 0 HG SER A 52 12.609 1.678 0.170 1.00 0.00 H new ATOM 780 N LEU A 53 11.684 4.567 -0.841 1.00 0.00 N ATOM 781 CA LEU A 53 11.058 5.122 -2.078 1.00 0.00 C ATOM 782 C LEU A 53 11.022 6.649 -1.993 1.00 0.00 C ATOM 783 O LEU A 53 11.533 7.339 -2.855 1.00 0.00 O ATOM 784 CB LEU A 53 9.631 4.585 -2.216 1.00 0.00 C ATOM 785 CG LEU A 53 9.649 3.282 -3.017 1.00 0.00 C ATOM 786 CD1 LEU A 53 10.369 2.198 -2.217 1.00 0.00 C ATOM 787 CD2 LEU A 53 8.211 2.838 -3.296 1.00 0.00 C ATOM 0 H LEU A 53 11.074 3.974 -0.278 1.00 0.00 H new ATOM 0 HA LEU A 53 11.645 4.820 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.200 4.412 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.001 5.322 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 53 10.172 3.443 -3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.381 1.271 -2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.393 2.513 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.848 2.035 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.221 1.909 -3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.690 2.678 -2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.696 3.610 -3.868 1.00 0.00 H new ATOM 799 N GLY A 54 10.423 7.178 -0.957 1.00 0.00 N ATOM 800 CA GLY A 54 10.349 8.659 -0.804 1.00 0.00 C ATOM 801 C GLY A 54 9.020 9.170 -1.362 1.00 0.00 C ATOM 802 O GLY A 54 8.972 10.169 -2.055 1.00 0.00 O ATOM 0 H GLY A 54 9.981 6.644 -0.209 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.441 8.930 0.248 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.180 9.130 -1.329 1.00 0.00 H new ATOM 806 N ILE A 55 7.940 8.493 -1.062 1.00 0.00 N ATOM 807 CA ILE A 55 6.608 8.935 -1.571 1.00 0.00 C ATOM 808 C ILE A 55 6.191 10.216 -0.849 1.00 0.00 C ATOM 809 O ILE A 55 6.668 10.514 0.230 1.00 0.00 O ATOM 810 CB ILE A 55 5.570 7.839 -1.313 1.00 0.00 C ATOM 811 CG1 ILE A 55 6.055 6.522 -1.925 1.00 0.00 C ATOM 812 CG2 ILE A 55 4.238 8.234 -1.952 1.00 0.00 C ATOM 813 CD1 ILE A 55 5.273 5.357 -1.316 1.00 0.00 C ATOM 0 H ILE A 55 7.925 7.652 -0.485 1.00 0.00 H new ATOM 0 HA ILE A 55 6.672 9.125 -2.643 1.00 0.00 H new ATOM 0 HB ILE A 55 5.435 7.715 -0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.919 6.539 -3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.122 6.394 -1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.500 7.453 -1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.890 9.172 -1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.373 8.359 -3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.618 4.420 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.432 5.336 -0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.211 5.484 -1.524 1.00 0.00 H new ATOM 825 N ALA A 56 5.307 10.979 -1.441 1.00 0.00 N ATOM 826 CA ALA A 56 4.856 12.248 -0.799 1.00 0.00 C ATOM 827 C ALA A 56 3.439 12.587 -1.273 1.00 0.00 C ATOM 828 O ALA A 56 2.743 11.752 -1.821 1.00 0.00 O ATOM 829 CB ALA A 56 5.816 13.375 -1.186 1.00 0.00 C ATOM 0 H ALA A 56 4.878 10.776 -2.344 1.00 0.00 H new ATOM 0 HA ALA A 56 4.851 12.131 0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.492 14.305 -0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.822 13.129 -0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.819 13.494 -2.269 1.00 0.00 H new ATOM 835 N LYS A 57 3.010 13.806 -1.062 1.00 0.00 N ATOM 836 CA LYS A 57 1.641 14.210 -1.496 1.00 0.00 C ATOM 837 C LYS A 57 1.565 14.203 -3.023 1.00 0.00 C ATOM 838 O LYS A 57 2.404 14.772 -3.697 1.00 0.00 O ATOM 839 CB LYS A 57 1.338 15.619 -0.979 1.00 0.00 C ATOM 840 CG LYS A 57 0.584 15.529 0.348 1.00 0.00 C ATOM 841 CD LYS A 57 -0.358 16.729 0.485 1.00 0.00 C ATOM 842 CE LYS A 57 0.458 18.022 0.565 1.00 0.00 C ATOM 843 NZ LYS A 57 -0.268 19.111 -0.148 1.00 0.00 N ATOM 0 H LYS A 57 3.552 14.540 -0.606 1.00 0.00 H new ATOM 0 HA LYS A 57 0.911 13.508 -1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.266 16.175 -0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.743 16.165 -1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.015 14.600 0.393 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.290 15.511 1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.037 16.769 -0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.973 16.620 1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.620 18.299 1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.441 17.873 0.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.285 19.990 -0.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.400 18.845 -1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.196 19.259 0.297 1.00 0.00 H new ATOM 857 N GLY A 58 0.562 13.566 -3.573 1.00 0.00 N ATOM 858 CA GLY A 58 0.420 13.520 -5.058 1.00 0.00 C ATOM 859 C GLY A 58 1.324 12.425 -5.625 1.00 0.00 C ATOM 860 O GLY A 58 2.400 12.696 -6.125 1.00 0.00 O ATOM 0 H GLY A 58 -0.166 13.075 -3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.618 13.325 -5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.686 14.485 -5.489 1.00 0.00 H new ATOM 864 N ALA A 59 0.893 11.191 -5.551 1.00 0.00 N ATOM 865 CA ALA A 59 1.722 10.071 -6.084 1.00 0.00 C ATOM 866 C ALA A 59 0.805 8.966 -6.614 1.00 0.00 C ATOM 867 O ALA A 59 -0.386 8.963 -6.363 1.00 0.00 O ATOM 868 CB ALA A 59 2.603 9.512 -4.965 1.00 0.00 C ATOM 0 H ALA A 59 0.001 10.912 -5.143 1.00 0.00 H new ATOM 0 HA ALA A 59 2.353 10.438 -6.893 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.209 8.694 -5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.256 10.299 -4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.973 9.144 -4.155 1.00 0.00 H new ATOM 874 N GLU A 60 1.354 8.028 -7.343 1.00 0.00 N ATOM 875 CA GLU A 60 0.525 6.916 -7.893 1.00 0.00 C ATOM 876 C GLU A 60 1.199 5.580 -7.577 1.00 0.00 C ATOM 877 O GLU A 60 2.318 5.329 -7.985 1.00 0.00 O ATOM 878 CB GLU A 60 0.395 7.076 -9.409 1.00 0.00 C ATOM 879 CG GLU A 60 -0.431 8.326 -9.721 1.00 0.00 C ATOM 880 CD GLU A 60 -0.094 8.822 -11.128 1.00 0.00 C ATOM 881 OE1 GLU A 60 -0.079 8.008 -12.035 1.00 0.00 O ATOM 882 OE2 GLU A 60 0.143 10.011 -11.274 1.00 0.00 O ATOM 0 H GLU A 60 2.345 7.985 -7.581 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.466 6.942 -7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.383 7.157 -9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.082 6.195 -9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.495 8.099 -9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.221 9.106 -8.989 1.00 0.00 H new ATOM 889 N ILE A 61 0.527 4.724 -6.852 1.00 0.00 N ATOM 890 CA ILE A 61 1.122 3.402 -6.499 1.00 0.00 C ATOM 891 C ILE A 61 0.236 2.279 -7.045 1.00 0.00 C ATOM 892 O ILE A 61 -0.974 2.325 -6.934 1.00 0.00 O ATOM 893 CB ILE A 61 1.225 3.286 -4.977 1.00 0.00 C ATOM 894 CG1 ILE A 61 -0.157 3.530 -4.352 1.00 0.00 C ATOM 895 CG2 ILE A 61 2.218 4.330 -4.458 1.00 0.00 C ATOM 896 CD1 ILE A 61 -0.084 3.372 -2.827 1.00 0.00 C ATOM 0 H ILE A 61 -0.412 4.885 -6.488 1.00 0.00 H new ATOM 0 HA ILE A 61 2.116 3.318 -6.938 1.00 0.00 H new ATOM 0 HB ILE A 61 1.572 2.289 -4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.507 4.531 -4.605 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.880 2.826 -4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.295 4.251 -3.374 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.197 4.155 -4.905 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.870 5.328 -4.726 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.069 3.547 -2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.245 2.362 -2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.624 4.094 -2.420 1.00 0.00 H new ATOM 908 N THR A 62 0.833 1.275 -7.636 1.00 0.00 N ATOM 909 CA THR A 62 0.033 0.147 -8.197 1.00 0.00 C ATOM 910 C THR A 62 0.297 -1.126 -7.389 1.00 0.00 C ATOM 911 O THR A 62 1.379 -1.682 -7.424 1.00 0.00 O ATOM 912 CB THR A 62 0.432 -0.083 -9.656 1.00 0.00 C ATOM 913 OG1 THR A 62 0.405 1.155 -10.353 1.00 0.00 O ATOM 914 CG2 THR A 62 -0.548 -1.059 -10.306 1.00 0.00 C ATOM 0 H THR A 62 1.842 1.189 -7.754 1.00 0.00 H new ATOM 0 HA THR A 62 -1.027 0.394 -8.142 1.00 0.00 H new ATOM 0 HB THR A 62 1.438 -0.501 -9.697 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.662 1.010 -11.288 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.263 -1.222 -11.345 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.526 -2.008 -9.770 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.555 -0.644 -10.267 1.00 0.00 H new ATOM 922 N ILE A 63 -0.690 -1.590 -6.668 1.00 0.00 N ATOM 923 CA ILE A 63 -0.517 -2.830 -5.855 1.00 0.00 C ATOM 924 C ILE A 63 -0.962 -4.039 -6.687 1.00 0.00 C ATOM 925 O ILE A 63 -1.710 -3.906 -7.637 1.00 0.00 O ATOM 926 CB ILE A 63 -1.370 -2.720 -4.582 1.00 0.00 C ATOM 927 CG1 ILE A 63 -0.872 -1.537 -3.746 1.00 0.00 C ATOM 928 CG2 ILE A 63 -1.257 -4.008 -3.759 1.00 0.00 C ATOM 929 CD1 ILE A 63 -1.793 -1.330 -2.540 1.00 0.00 C ATOM 0 H ILE A 63 -1.613 -1.161 -6.607 1.00 0.00 H new ATOM 0 HA ILE A 63 0.529 -2.954 -5.574 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.413 -2.567 -4.860 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.148 -1.722 -3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.847 -0.634 -4.356 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.865 -3.919 -2.859 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.609 -4.851 -4.353 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.216 -4.171 -3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.434 -0.487 -1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.806 -1.125 -2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.795 -2.230 -1.925 1.00 0.00 H new ATOM 941 N SER A 64 -0.503 -5.216 -6.335 1.00 0.00 N ATOM 942 CA SER A 64 -0.894 -6.434 -7.103 1.00 0.00 C ATOM 943 C SER A 64 -0.896 -7.657 -6.180 1.00 0.00 C ATOM 944 O SER A 64 0.142 -8.200 -5.855 1.00 0.00 O ATOM 945 CB SER A 64 0.102 -6.657 -8.240 1.00 0.00 C ATOM 946 OG SER A 64 1.423 -6.452 -7.756 1.00 0.00 O ATOM 0 H SER A 64 0.125 -5.383 -5.549 1.00 0.00 H new ATOM 0 HA SER A 64 -1.895 -6.294 -7.512 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.000 -7.668 -8.635 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.107 -5.971 -9.061 1.00 0.00 H new ATOM 0 HG SER A 64 1.566 -6.998 -6.955 1.00 0.00 H new ATOM 952 N ALA A 65 -2.058 -8.098 -5.770 1.00 0.00 N ATOM 953 CA ALA A 65 -2.146 -9.294 -4.880 1.00 0.00 C ATOM 954 C ALA A 65 -2.334 -10.543 -5.747 1.00 0.00 C ATOM 955 O ALA A 65 -3.257 -10.623 -6.535 1.00 0.00 O ATOM 956 CB ALA A 65 -3.346 -9.142 -3.942 1.00 0.00 C ATOM 0 H ALA A 65 -2.955 -7.678 -6.015 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.234 -9.385 -4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.412 -10.014 -3.291 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.222 -8.245 -3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.260 -9.058 -4.531 1.00 0.00 H new ATOM 962 N SER A 66 -1.464 -11.515 -5.615 1.00 0.00 N ATOM 963 CA SER A 66 -1.594 -12.754 -6.440 1.00 0.00 C ATOM 964 C SER A 66 -1.181 -13.976 -5.613 1.00 0.00 C ATOM 965 O SER A 66 -0.011 -14.205 -5.370 1.00 0.00 O ATOM 966 CB SER A 66 -0.696 -12.634 -7.677 1.00 0.00 C ATOM 967 OG SER A 66 -1.505 -12.673 -8.846 1.00 0.00 O ATOM 0 H SER A 66 -0.672 -11.503 -4.973 1.00 0.00 H new ATOM 0 HA SER A 66 -2.631 -12.875 -6.754 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.131 -11.703 -7.642 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.030 -13.447 -7.695 1.00 0.00 H new ATOM 0 HG SER A 66 -0.936 -12.595 -9.640 1.00 0.00 H new ATOM 973 N GLY A 67 -2.137 -14.763 -5.188 1.00 0.00 N ATOM 974 CA GLY A 67 -1.814 -15.977 -4.381 1.00 0.00 C ATOM 975 C GLY A 67 -3.109 -16.704 -4.010 1.00 0.00 C ATOM 976 O GLY A 67 -3.902 -17.049 -4.866 1.00 0.00 O ATOM 0 H GLY A 67 -3.130 -14.616 -5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.162 -16.641 -4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.273 -15.693 -3.479 1.00 0.00 H new ATOM 980 N ALA A 68 -3.327 -16.936 -2.741 1.00 0.00 N ATOM 981 CA ALA A 68 -4.571 -17.639 -2.305 1.00 0.00 C ATOM 982 C ALA A 68 -5.664 -16.609 -2.016 1.00 0.00 C ATOM 983 O ALA A 68 -6.673 -16.557 -2.693 1.00 0.00 O ATOM 984 CB ALA A 68 -4.284 -18.448 -1.038 1.00 0.00 C ATOM 0 H ALA A 68 -2.695 -16.668 -1.986 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.904 -18.311 -3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.192 -18.961 -0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.506 -19.183 -1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.950 -17.778 -0.246 1.00 0.00 H new ATOM 990 N ASP A 69 -5.467 -15.788 -1.015 1.00 0.00 N ATOM 991 CA ASP A 69 -6.490 -14.755 -0.675 1.00 0.00 C ATOM 992 C ASP A 69 -6.084 -13.412 -1.293 1.00 0.00 C ATOM 993 O ASP A 69 -5.990 -12.405 -0.614 1.00 0.00 O ATOM 994 CB ASP A 69 -6.601 -14.620 0.850 1.00 0.00 C ATOM 995 CG ASP A 69 -5.211 -14.407 1.457 1.00 0.00 C ATOM 996 OD1 ASP A 69 -4.441 -13.656 0.883 1.00 0.00 O ATOM 997 OD2 ASP A 69 -4.940 -15.002 2.488 1.00 0.00 O ATOM 0 H ASP A 69 -4.640 -15.789 -0.418 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.458 -15.055 -1.075 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.250 -13.782 1.103 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.058 -15.516 1.271 1.00 0.00 H new ATOM 1002 N GLU A 70 -5.839 -13.396 -2.579 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.433 -12.128 -3.258 1.00 0.00 C ATOM 1004 C GLU A 70 -6.608 -11.145 -3.268 1.00 0.00 C ATOM 1005 O GLU A 70 -6.418 -9.943 -3.256 1.00 0.00 O ATOM 1006 CB GLU A 70 -5.007 -12.430 -4.700 1.00 0.00 C ATOM 1007 CG GLU A 70 -6.091 -13.257 -5.401 1.00 0.00 C ATOM 1008 CD GLU A 70 -5.898 -13.180 -6.918 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -4.757 -13.166 -7.350 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -6.894 -13.140 -7.621 1.00 0.00 O ATOM 0 H GLU A 70 -5.903 -14.210 -3.190 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.597 -11.685 -2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.840 -11.499 -5.242 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.063 -12.974 -4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.041 -14.294 -5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.079 -12.883 -5.131 1.00 0.00 H new ATOM 1017 N ASN A 71 -7.816 -11.647 -3.293 1.00 0.00 N ATOM 1018 CA ASN A 71 -9.008 -10.747 -3.309 1.00 0.00 C ATOM 1019 C ASN A 71 -9.243 -10.174 -1.909 1.00 0.00 C ATOM 1020 O ASN A 71 -9.649 -9.037 -1.756 1.00 0.00 O ATOM 1021 CB ASN A 71 -10.240 -11.541 -3.747 1.00 0.00 C ATOM 1022 CG ASN A 71 -10.301 -11.584 -5.275 1.00 0.00 C ATOM 1023 OD1 ASN A 71 -10.375 -10.465 -5.944 1.00 0.00 O flip ATOM 1024 ND2 ASN A 71 -10.280 -12.645 -5.866 1.00 0.00 N flip ATOM 0 H ASN A 71 -8.029 -12.645 -3.303 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.832 -9.929 -4.008 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.195 -12.553 -3.345 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.144 -11.080 -3.349 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.222 -13.519 -5.343 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.320 -12.662 -6.885 1.00 0.00 H new ATOM 1031 N ASP A 72 -8.996 -10.956 -0.890 1.00 0.00 N ATOM 1032 CA ASP A 72 -9.209 -10.470 0.505 1.00 0.00 C ATOM 1033 C ASP A 72 -8.088 -9.501 0.903 1.00 0.00 C ATOM 1034 O ASP A 72 -8.260 -8.679 1.784 1.00 0.00 O ATOM 1035 CB ASP A 72 -9.214 -11.661 1.467 1.00 0.00 C ATOM 1036 CG ASP A 72 -10.215 -12.712 0.981 1.00 0.00 C ATOM 1037 OD1 ASP A 72 -11.375 -12.611 1.346 1.00 0.00 O ATOM 1038 OD2 ASP A 72 -9.805 -13.599 0.251 1.00 0.00 O ATOM 0 H ASP A 72 -8.655 -11.914 -0.965 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.166 -9.951 0.557 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.216 -12.096 1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.479 -11.329 2.471 1.00 0.00 H new ATOM 1043 N ALA A 73 -6.944 -9.596 0.273 1.00 0.00 N ATOM 1044 CA ALA A 73 -5.815 -8.687 0.630 1.00 0.00 C ATOM 1045 C ALA A 73 -5.986 -7.320 -0.042 1.00 0.00 C ATOM 1046 O ALA A 73 -5.762 -6.295 0.572 1.00 0.00 O ATOM 1047 CB ALA A 73 -4.495 -9.308 0.174 1.00 0.00 C ATOM 0 H ALA A 73 -6.744 -10.263 -0.472 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.810 -8.550 1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.671 -8.644 0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.356 -10.270 0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.515 -9.454 -0.906 1.00 0.00 H new ATOM 1053 N LEU A 74 -6.358 -7.292 -1.299 1.00 0.00 N ATOM 1054 CA LEU A 74 -6.513 -5.981 -2.005 1.00 0.00 C ATOM 1055 C LEU A 74 -7.633 -5.155 -1.365 1.00 0.00 C ATOM 1056 O LEU A 74 -7.501 -3.956 -1.196 1.00 0.00 O ATOM 1057 CB LEU A 74 -6.807 -6.213 -3.494 1.00 0.00 C ATOM 1058 CG LEU A 74 -8.134 -6.955 -3.680 1.00 0.00 C ATOM 1059 CD1 LEU A 74 -9.287 -5.946 -3.786 1.00 0.00 C ATOM 1060 CD2 LEU A 74 -8.063 -7.784 -4.965 1.00 0.00 C ATOM 0 H LEU A 74 -6.560 -8.116 -1.865 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.580 -5.425 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.845 -5.256 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.998 -6.789 -3.943 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.310 -7.607 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.228 -6.481 -3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.334 -5.350 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -9.119 -5.290 -4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.003 -8.317 -5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.888 -7.124 -5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.247 -8.503 -4.890 1.00 0.00 H new ATOM 1072 N ASN A 75 -8.732 -5.775 -1.015 1.00 0.00 N ATOM 1073 CA ASN A 75 -9.855 -5.006 -0.394 1.00 0.00 C ATOM 1074 C ASN A 75 -9.529 -4.700 1.075 1.00 0.00 C ATOM 1075 O ASN A 75 -10.066 -3.774 1.651 1.00 0.00 O ATOM 1076 CB ASN A 75 -11.169 -5.798 -0.502 1.00 0.00 C ATOM 1077 CG ASN A 75 -11.098 -7.084 0.328 1.00 0.00 C ATOM 1078 OD1 ASN A 75 -10.078 -7.732 0.375 1.00 0.00 O ATOM 1079 ND2 ASN A 75 -12.152 -7.479 0.988 1.00 0.00 N ATOM 0 H ASN A 75 -8.900 -6.774 -1.131 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.978 -4.064 -0.929 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.000 -5.182 -0.157 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.366 -6.044 -1.545 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.115 -8.334 1.543 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.013 -6.933 0.949 1.00 0.00 H new ATOM 1086 N ALA A 76 -8.654 -5.466 1.683 1.00 0.00 N ATOM 1087 CA ALA A 76 -8.295 -5.208 3.108 1.00 0.00 C ATOM 1088 C ALA A 76 -7.506 -3.899 3.201 1.00 0.00 C ATOM 1089 O ALA A 76 -7.853 -3.009 3.954 1.00 0.00 O ATOM 1090 CB ALA A 76 -7.438 -6.360 3.636 1.00 0.00 C ATOM 0 H ALA A 76 -8.175 -6.257 1.252 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.203 -5.131 3.706 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.176 -6.171 4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.999 -7.292 3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.528 -6.439 3.041 1.00 0.00 H new ATOM 1096 N LEU A 77 -6.444 -3.780 2.444 1.00 0.00 N ATOM 1097 CA LEU A 77 -5.624 -2.532 2.482 1.00 0.00 C ATOM 1098 C LEU A 77 -6.369 -1.394 1.777 1.00 0.00 C ATOM 1099 O LEU A 77 -6.155 -0.234 2.069 1.00 0.00 O ATOM 1100 CB LEU A 77 -4.289 -2.775 1.775 1.00 0.00 C ATOM 1101 CG LEU A 77 -3.639 -4.063 2.313 1.00 0.00 C ATOM 1102 CD1 LEU A 77 -3.395 -5.036 1.159 1.00 0.00 C ATOM 1103 CD2 LEU A 77 -2.305 -3.729 2.984 1.00 0.00 C ATOM 0 H LEU A 77 -6.109 -4.496 1.800 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.446 -2.256 3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.447 -2.858 0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.623 -1.927 1.935 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.307 -4.522 3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.935 -5.947 1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.344 -5.282 0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.731 -4.574 0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.849 -4.644 3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.638 -3.265 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.476 -3.039 3.811 1.00 0.00 H new ATOM 1115 N GLU A 78 -7.236 -1.716 0.848 1.00 0.00 N ATOM 1116 CA GLU A 78 -7.990 -0.651 0.117 1.00 0.00 C ATOM 1117 C GLU A 78 -8.904 0.100 1.093 1.00 0.00 C ATOM 1118 O GLU A 78 -8.803 1.302 1.246 1.00 0.00 O ATOM 1119 CB GLU A 78 -8.834 -1.299 -0.990 1.00 0.00 C ATOM 1120 CG GLU A 78 -9.600 -0.223 -1.778 1.00 0.00 C ATOM 1121 CD GLU A 78 -11.100 -0.529 -1.758 1.00 0.00 C ATOM 1122 OE1 GLU A 78 -11.722 -0.284 -0.737 1.00 0.00 O ATOM 1123 OE2 GLU A 78 -11.602 -1.002 -2.764 1.00 0.00 O ATOM 0 H GLU A 78 -7.454 -2.671 0.564 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.287 0.055 -0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.190 -1.863 -1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.537 -2.008 -0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.415 0.759 -1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.241 -0.189 -2.807 1.00 0.00 H new ATOM 1130 N GLU A 79 -9.798 -0.599 1.746 1.00 0.00 N ATOM 1131 CA GLU A 79 -10.729 0.066 2.707 1.00 0.00 C ATOM 1132 C GLU A 79 -9.924 0.740 3.824 1.00 0.00 C ATOM 1133 O GLU A 79 -10.346 1.734 4.385 1.00 0.00 O ATOM 1134 CB GLU A 79 -11.669 -0.982 3.310 1.00 0.00 C ATOM 1135 CG GLU A 79 -10.849 -2.110 3.946 1.00 0.00 C ATOM 1136 CD GLU A 79 -10.836 -1.947 5.467 1.00 0.00 C ATOM 1137 OE1 GLU A 79 -10.127 -1.077 5.944 1.00 0.00 O ATOM 1138 OE2 GLU A 79 -11.534 -2.697 6.130 1.00 0.00 O ATOM 0 H GLU A 79 -9.923 -1.607 1.654 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.314 0.821 2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.311 -0.520 4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.322 -1.386 2.536 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.275 -3.077 3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.830 -2.093 3.560 1.00 0.00 H new ATOM 1145 N THR A 80 -8.769 0.212 4.142 1.00 0.00 N ATOM 1146 CA THR A 80 -7.930 0.824 5.215 1.00 0.00 C ATOM 1147 C THR A 80 -7.411 2.180 4.728 1.00 0.00 C ATOM 1148 O THR A 80 -7.263 3.113 5.494 1.00 0.00 O ATOM 1149 CB THR A 80 -6.746 -0.098 5.524 1.00 0.00 C ATOM 1150 OG1 THR A 80 -7.233 -1.389 5.865 1.00 0.00 O ATOM 1151 CG2 THR A 80 -5.939 0.469 6.694 1.00 0.00 C ATOM 0 H THR A 80 -8.371 -0.618 3.703 1.00 0.00 H new ATOM 0 HA THR A 80 -8.525 0.960 6.118 1.00 0.00 H new ATOM 0 HB THR A 80 -6.103 -0.168 4.646 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.663 -1.794 5.083 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.098 -0.190 6.910 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.566 1.459 6.433 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.577 0.543 7.574 1.00 0.00 H new ATOM 1159 N MET A 81 -7.139 2.289 3.454 1.00 0.00 N ATOM 1160 CA MET A 81 -6.632 3.574 2.891 1.00 0.00 C ATOM 1161 C MET A 81 -7.763 4.605 2.875 1.00 0.00 C ATOM 1162 O MET A 81 -7.535 5.791 3.023 1.00 0.00 O ATOM 1163 CB MET A 81 -6.141 3.336 1.460 1.00 0.00 C ATOM 1164 CG MET A 81 -4.685 2.850 1.484 1.00 0.00 C ATOM 1165 SD MET A 81 -3.568 4.218 1.081 1.00 0.00 S ATOM 1166 CE MET A 81 -3.186 3.711 -0.613 1.00 0.00 C ATOM 0 H MET A 81 -7.248 1.536 2.774 1.00 0.00 H new ATOM 0 HA MET A 81 -5.812 3.945 3.505 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.773 2.597 0.967 1.00 0.00 H new ATOM 0 HB3 MET A 81 -6.217 4.257 0.882 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.443 2.450 2.469 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.552 2.038 0.769 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.927 4.588 -1.206 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.345 3.017 -0.604 1.00 0.00 H new ATOM 0 HE3 MET A 81 -4.056 3.221 -1.051 1.00 0.00 H new ATOM 1176 N LYS A 82 -8.979 4.157 2.689 1.00 0.00 N ATOM 1177 CA LYS A 82 -10.136 5.100 2.652 1.00 0.00 C ATOM 1178 C LYS A 82 -10.504 5.532 4.075 1.00 0.00 C ATOM 1179 O LYS A 82 -11.040 6.604 4.284 1.00 0.00 O ATOM 1180 CB LYS A 82 -11.336 4.405 2.004 1.00 0.00 C ATOM 1181 CG LYS A 82 -11.176 4.419 0.483 1.00 0.00 C ATOM 1182 CD LYS A 82 -12.063 3.335 -0.134 1.00 0.00 C ATOM 1183 CE LYS A 82 -12.592 3.809 -1.491 1.00 0.00 C ATOM 1184 NZ LYS A 82 -11.811 3.161 -2.583 1.00 0.00 N ATOM 0 H LYS A 82 -9.220 3.174 2.561 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.863 5.981 2.071 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.412 3.378 2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.259 4.911 2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.450 5.397 0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.134 4.247 0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.495 2.413 -0.257 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.895 3.110 0.533 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.649 3.560 -1.588 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.512 4.893 -1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.170 3.483 -3.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.808 3.420 -2.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.910 2.128 -2.514 1.00 0.00 H new ATOM 1198 N SER A 83 -10.227 4.704 5.051 1.00 0.00 N ATOM 1199 CA SER A 83 -10.565 5.063 6.462 1.00 0.00 C ATOM 1200 C SER A 83 -9.627 6.168 6.950 1.00 0.00 C ATOM 1201 O SER A 83 -10.033 7.300 7.136 1.00 0.00 O ATOM 1202 CB SER A 83 -10.410 3.831 7.355 1.00 0.00 C ATOM 1203 OG SER A 83 -9.311 3.055 6.900 1.00 0.00 O ATOM 0 H SER A 83 -9.781 3.794 4.931 1.00 0.00 H new ATOM 0 HA SER A 83 -11.595 5.417 6.507 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.251 4.136 8.389 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.323 3.236 7.335 1.00 0.00 H new ATOM 0 HG SER A 83 -8.790 3.574 6.252 1.00 0.00 H new ATOM 1209 N GLU A 84 -8.376 5.846 7.162 1.00 0.00 N ATOM 1210 CA GLU A 84 -7.404 6.872 7.641 1.00 0.00 C ATOM 1211 C GLU A 84 -7.233 7.957 6.576 1.00 0.00 C ATOM 1212 O GLU A 84 -6.931 9.096 6.884 1.00 0.00 O ATOM 1213 CB GLU A 84 -6.054 6.206 7.912 1.00 0.00 C ATOM 1214 CG GLU A 84 -6.066 5.573 9.305 1.00 0.00 C ATOM 1215 CD GLU A 84 -4.945 4.537 9.406 1.00 0.00 C ATOM 1216 OE1 GLU A 84 -3.858 4.822 8.931 1.00 0.00 O ATOM 1217 OE2 GLU A 84 -5.192 3.477 9.957 1.00 0.00 O ATOM 0 H GLU A 84 -7.986 4.914 7.023 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.779 7.324 8.559 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.854 5.445 7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.253 6.942 7.843 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.934 6.342 10.066 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.030 5.100 9.493 1.00 0.00 H new ATOM 1224 N GLY A 85 -7.419 7.613 5.326 1.00 0.00 N ATOM 1225 CA GLY A 85 -7.263 8.621 4.235 1.00 0.00 C ATOM 1226 C GLY A 85 -5.785 8.735 3.864 1.00 0.00 C ATOM 1227 O GLY A 85 -5.253 9.820 3.718 1.00 0.00 O ATOM 0 H GLY A 85 -7.673 6.675 5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.847 8.325 3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.644 9.589 4.561 1.00 0.00 H new ATOM 1231 N LEU A 86 -5.118 7.620 3.717 1.00 0.00 N ATOM 1232 CA LEU A 86 -3.671 7.645 3.361 1.00 0.00 C ATOM 1233 C LEU A 86 -3.511 7.800 1.846 1.00 0.00 C ATOM 1234 O LEU A 86 -2.623 8.486 1.377 1.00 0.00 O ATOM 1235 CB LEU A 86 -3.018 6.340 3.815 1.00 0.00 C ATOM 1236 CG LEU A 86 -3.013 6.282 5.344 1.00 0.00 C ATOM 1237 CD1 LEU A 86 -2.487 4.921 5.797 1.00 0.00 C ATOM 1238 CD2 LEU A 86 -2.107 7.386 5.896 1.00 0.00 C ATOM 0 H LEU A 86 -5.517 6.688 3.829 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.190 8.488 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.562 5.487 3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.999 6.278 3.434 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.027 6.425 5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.482 4.877 6.886 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.130 4.133 5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.473 4.780 5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.104 7.344 6.985 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.092 7.243 5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.479 8.358 5.572 1.00 0.00 H new ATOM 1250 N GLY A 87 -4.366 7.168 1.082 1.00 0.00 N ATOM 1251 CA GLY A 87 -4.269 7.276 -0.405 1.00 0.00 C ATOM 1252 C GLY A 87 -5.455 6.558 -1.051 1.00 0.00 C ATOM 1253 O GLY A 87 -5.589 5.353 -0.953 1.00 0.00 O ATOM 0 H GLY A 87 -5.127 6.582 1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.259 8.324 -0.704 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.333 6.837 -0.751 1.00 0.00 H new ATOM 1257 N GLU A 88 -6.316 7.291 -1.712 1.00 0.00 N ATOM 1258 CA GLU A 88 -7.499 6.659 -2.370 1.00 0.00 C ATOM 1259 C GLU A 88 -7.789 7.367 -3.694 1.00 0.00 C ATOM 1260 O GLU A 88 -8.458 8.387 -3.666 1.00 0.00 O ATOM 1261 CB GLU A 88 -8.724 6.766 -1.451 1.00 0.00 C ATOM 1262 CG GLU A 88 -8.873 8.204 -0.932 1.00 0.00 C ATOM 1263 CD GLU A 88 -8.489 8.264 0.549 1.00 0.00 C ATOM 1264 OE1 GLU A 88 -7.496 7.651 0.908 1.00 0.00 O ATOM 1265 OE2 GLU A 88 -9.192 8.921 1.298 1.00 0.00 O ATOM 1266 OXT GLU A 88 -7.339 6.876 -4.716 1.00 0.00 O ATOM 0 H GLU A 88 -6.250 8.303 -1.824 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.284 5.608 -2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.622 6.473 -1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.620 6.078 -0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.238 8.876 -1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.900 8.544 -1.065 1.00 0.00 H new