USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 691 hydrogens (18 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 52 ASNHD21 : A 52 ASN ND2 : A1052 NAG C1 :(H bumps) USER MOD NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A1078 NAG C1 :(H bumps) USER MOD Single : A 1 ALA N :NH3+ -133:sc= -1.01 (180deg=-2.88!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.5! USER MOD Single : A 13 GLN : amide:sc= -0.002 X(o=-0.002,f=0) USER MOD Single : A 15 ASN : amide:sc= -14! C(o=-14!,f=-19!) USER MOD Single : A 19 SER OG : rot -14:sc= 0.76! USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.0912 X(o=-0.091,f=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 137:sc= 0.00557 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 58:sc= 0.946 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -2:sc= 0.886 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -80:sc= -0.939! USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 170:sc= -0.274 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.68) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.426 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= 0.025 (180deg=-0.29) USER MOD Single : A 79 HIS : no HE2:sc= -14.6! C(o=-15!,f=-18!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 83 HIS :FLIP no HE2:sc= -1.6 F(o=-4.5!,f=-1.6) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 11:sc= 0.775! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS :FLIP no HE2:sc= 0.0588 F(o=-0.9,f=0.059) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A1052 NAG O3 : rot 7:sc= -0.276 USER MOD Single : A1052 NAG O4 : rot 160:sc= 0 USER MOD Single : A1052 NAG O6 : rot 180:sc=-0.00557 USER MOD Single : A1078 NAG O3 : rot 180:sc= 0 USER MOD Single : A1078 NAG O4 : rot 160:sc= 0 USER MOD Single : A1078 NAG O6 : rot 31:sc= 0.0086 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.162 23.228 -4.763 1.00 0.00 N ATOM 2 CA ALA A 1 -2.082 23.674 -6.179 1.00 0.00 C ATOM 3 C ALA A 1 -0.632 23.831 -6.629 1.00 0.00 C ATOM 4 O ALA A 1 -0.208 23.218 -7.608 1.00 0.00 O ATOM 5 CB ALA A 1 -2.837 24.982 -6.366 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.841 22.444 -4.684 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.225 22.908 -4.446 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.477 24.020 -4.167 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.546 22.906 -6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.769 25.296 -7.408 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.884 24.840 -6.097 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.400 25.749 -5.727 1.00 0.00 H new ATOM 13 N PRO A 2 0.150 24.661 -5.920 1.00 0.00 N ATOM 14 CA PRO A 2 1.556 24.901 -6.250 1.00 0.00 C ATOM 15 C PRO A 2 2.448 23.719 -5.881 1.00 0.00 C ATOM 16 O PRO A 2 2.794 23.529 -4.715 1.00 0.00 O ATOM 17 CB PRO A 2 1.932 26.132 -5.410 1.00 0.00 C ATOM 18 CG PRO A 2 0.658 26.615 -4.792 1.00 0.00 C ATOM 19 CD PRO A 2 -0.266 25.433 -4.747 1.00 0.00 C ATOM 0 HA PRO A 2 1.695 25.046 -7.321 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.663 25.873 -4.644 1.00 0.00 H new ATOM 0 HB3 PRO A 2 2.382 26.906 -6.032 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.836 27.007 -3.791 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.224 27.425 -5.379 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -0.152 24.863 -3.825 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -1.312 25.733 -4.809 1.00 0.00 H new ATOM 27 N ASP A 3 2.820 22.928 -6.883 1.00 0.00 N ATOM 28 CA ASP A 3 3.676 21.767 -6.665 1.00 0.00 C ATOM 29 C ASP A 3 3.554 20.778 -7.817 1.00 0.00 C ATOM 30 O ASP A 3 4.515 20.542 -8.549 1.00 0.00 O ATOM 31 CB ASP A 3 3.321 21.079 -5.346 1.00 0.00 C ATOM 32 CG ASP A 3 4.390 21.273 -4.287 1.00 0.00 C ATOM 33 OD1 ASP A 3 4.718 22.439 -3.982 1.00 0.00 O ATOM 34 OD2 ASP A 3 4.898 20.259 -3.765 1.00 0.00 O ATOM 0 H ASP A 3 2.542 23.070 -7.854 1.00 0.00 H new ATOM 0 HA ASP A 3 4.708 22.115 -6.615 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.373 21.472 -4.978 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.177 20.013 -5.522 1.00 0.00 H new ATOM 39 N VAL A 4 2.367 20.201 -7.971 1.00 0.00 N ATOM 40 CA VAL A 4 2.116 19.235 -9.034 1.00 0.00 C ATOM 41 C VAL A 4 2.458 17.818 -8.583 1.00 0.00 C ATOM 42 O VAL A 4 3.518 17.579 -8.005 1.00 0.00 O ATOM 43 CB VAL A 4 2.917 19.576 -10.310 1.00 0.00 C ATOM 44 CG1 VAL A 4 4.182 18.731 -10.405 1.00 0.00 C ATOM 45 CG2 VAL A 4 2.051 19.386 -11.546 1.00 0.00 C ATOM 0 H VAL A 4 1.562 20.386 -7.372 1.00 0.00 H new ATOM 0 HA VAL A 4 1.052 19.288 -9.265 1.00 0.00 H new ATOM 0 HB VAL A 4 3.217 20.622 -10.253 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.726 18.992 -11.313 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.813 18.921 -9.536 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.913 17.675 -10.434 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.630 19.630 -12.437 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.719 18.349 -11.602 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.183 20.042 -11.486 1.00 0.00 H new ATOM 55 N GLN A 5 1.555 16.884 -8.855 1.00 0.00 N ATOM 56 CA GLN A 5 1.762 15.491 -8.481 1.00 0.00 C ATOM 57 C GLN A 5 1.675 15.308 -6.969 1.00 0.00 C ATOM 58 O GLN A 5 2.293 16.050 -6.206 1.00 0.00 O ATOM 59 CB GLN A 5 3.123 15.007 -8.984 1.00 0.00 C ATOM 60 CG GLN A 5 3.321 13.506 -8.855 1.00 0.00 C ATOM 61 CD GLN A 5 4.685 13.056 -9.337 1.00 0.00 C ATOM 62 OE1 GLN A 5 5.160 13.490 -10.387 1.00 0.00 O ATOM 63 NE2 GLN A 5 5.323 12.179 -8.571 1.00 0.00 N ATOM 0 H GLN A 5 0.673 17.066 -9.333 1.00 0.00 H new ATOM 0 HA GLN A 5 0.973 14.898 -8.944 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.236 15.291 -10.030 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.909 15.518 -8.428 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.193 13.214 -7.812 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.549 12.991 -9.427 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.892 11.846 -7.709 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.245 11.838 -8.845 1.00 0.00 H new ATOM 72 N ASP A 6 0.908 14.310 -6.544 1.00 0.00 N ATOM 73 CA ASP A 6 0.744 14.020 -5.125 1.00 0.00 C ATOM 74 C ASP A 6 0.457 12.539 -4.913 1.00 0.00 C ATOM 75 O ASP A 6 -0.508 11.998 -5.452 1.00 0.00 O ATOM 76 CB ASP A 6 -0.382 14.866 -4.527 1.00 0.00 C ATOM 77 CG ASP A 6 -0.665 16.114 -5.341 1.00 0.00 C ATOM 78 OD1 ASP A 6 0.255 16.946 -5.491 1.00 0.00 O ATOM 79 OD2 ASP A 6 -1.806 16.259 -5.827 1.00 0.00 O ATOM 0 H ASP A 6 0.389 13.687 -7.163 1.00 0.00 H new ATOM 0 HA ASP A 6 1.675 14.273 -4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.289 14.265 -4.462 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.116 15.152 -3.509 1.00 0.00 H new ATOM 84 N CYS A 7 1.307 11.887 -4.130 1.00 0.00 N ATOM 85 CA CYS A 7 1.154 10.466 -3.851 1.00 0.00 C ATOM 86 C CYS A 7 0.388 10.245 -2.552 1.00 0.00 C ATOM 87 O CYS A 7 0.936 10.413 -1.463 1.00 0.00 O ATOM 88 CB CYS A 7 2.529 9.802 -3.765 1.00 0.00 C ATOM 89 SG CYS A 7 2.471 7.985 -3.665 1.00 0.00 S ATOM 0 H CYS A 7 2.111 12.321 -3.676 1.00 0.00 H new ATOM 0 HA CYS A 7 0.585 10.016 -4.664 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.114 10.089 -4.639 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.053 10.187 -2.890 1.00 0.00 H new ATOM 94 N PRO A 8 -0.896 9.861 -2.647 1.00 0.00 N ATOM 95 CA PRO A 8 -1.732 9.617 -1.470 1.00 0.00 C ATOM 96 C PRO A 8 -1.143 8.545 -0.560 1.00 0.00 C ATOM 97 O PRO A 8 -1.171 7.357 -0.881 1.00 0.00 O ATOM 98 CB PRO A 8 -3.073 9.151 -2.054 1.00 0.00 C ATOM 99 CG PRO A 8 -2.778 8.768 -3.465 1.00 0.00 C ATOM 100 CD PRO A 8 -1.632 9.636 -3.901 1.00 0.00 C ATOM 0 HA PRO A 8 -1.821 10.507 -0.847 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.474 8.307 -1.493 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.818 9.945 -2.010 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.516 7.712 -3.536 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.649 8.924 -4.101 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.013 9.142 -4.650 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.978 10.572 -4.340 1.00 0.00 H new ATOM 108 N GLU A 9 -0.608 8.975 0.577 1.00 0.00 N ATOM 109 CA GLU A 9 -0.009 8.062 1.537 1.00 0.00 C ATOM 110 C GLU A 9 -0.883 6.834 1.736 1.00 0.00 C ATOM 111 O GLU A 9 -2.111 6.924 1.734 1.00 0.00 O ATOM 112 CB GLU A 9 0.209 8.767 2.876 1.00 0.00 C ATOM 113 CG GLU A 9 0.750 7.856 3.965 1.00 0.00 C ATOM 114 CD GLU A 9 1.408 8.628 5.092 1.00 0.00 C ATOM 115 OE1 GLU A 9 1.872 9.760 4.844 1.00 0.00 O ATOM 116 OE2 GLU A 9 1.458 8.101 6.223 1.00 0.00 O ATOM 0 H GLU A 9 -0.578 9.956 0.855 1.00 0.00 H new ATOM 0 HA GLU A 9 0.955 7.741 1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.901 9.596 2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.736 9.195 3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.064 7.253 4.368 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.473 7.165 3.531 1.00 0.00 H new ATOM 123 N CYS A 10 -0.228 5.693 1.909 1.00 0.00 N ATOM 124 CA CYS A 10 -0.915 4.419 2.116 1.00 0.00 C ATOM 125 C CYS A 10 -2.382 4.632 2.467 1.00 0.00 C ATOM 126 O CYS A 10 -2.718 4.952 3.607 1.00 0.00 O ATOM 127 CB CYS A 10 -0.229 3.622 3.227 1.00 0.00 C ATOM 128 SG CYS A 10 0.910 2.331 2.628 1.00 0.00 S ATOM 0 H CYS A 10 0.789 5.622 1.910 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.864 3.858 1.183 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.324 4.311 3.864 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.993 3.156 3.849 1.00 0.00 H new ATOM 133 N THR A 11 -3.248 4.450 1.481 1.00 0.00 N ATOM 134 CA THR A 11 -4.678 4.616 1.680 1.00 0.00 C ATOM 135 C THR A 11 -5.435 3.617 0.821 1.00 0.00 C ATOM 136 O THR A 11 -4.868 2.619 0.381 1.00 0.00 O ATOM 137 CB THR A 11 -5.102 6.047 1.342 1.00 0.00 C ATOM 138 OG1 THR A 11 -6.511 6.143 1.227 1.00 0.00 O ATOM 139 CG2 THR A 11 -4.500 6.563 0.052 1.00 0.00 C ATOM 0 H THR A 11 -2.983 4.186 0.532 1.00 0.00 H new ATOM 0 HA THR A 11 -4.915 4.430 2.728 1.00 0.00 H new ATOM 0 HB THR A 11 -4.732 6.657 2.166 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.760 7.066 1.012 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.842 7.582 -0.127 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.413 6.553 0.128 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.811 5.925 -0.775 1.00 0.00 H new ATOM 147 N LEU A 12 -6.710 3.882 0.580 1.00 0.00 N ATOM 148 CA LEU A 12 -7.521 2.989 -0.233 1.00 0.00 C ATOM 149 C LEU A 12 -7.897 3.641 -1.550 1.00 0.00 C ATOM 150 O LEU A 12 -8.226 4.826 -1.600 1.00 0.00 O ATOM 151 CB LEU A 12 -8.772 2.560 0.525 1.00 0.00 C ATOM 152 CG LEU A 12 -8.540 1.458 1.553 1.00 0.00 C ATOM 153 CD1 LEU A 12 -7.202 1.652 2.245 1.00 0.00 C ATOM 154 CD2 LEU A 12 -9.671 1.438 2.565 1.00 0.00 C ATOM 0 H LEU A 12 -7.203 4.702 0.933 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.926 2.102 -0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.191 3.430 1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.518 2.219 -0.193 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.521 0.497 1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.052 0.857 2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.402 1.621 1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.191 2.617 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.493 0.647 3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.718 2.399 3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.615 1.254 2.052 1.00 0.00 H new ATOM 166 N GLN A 13 -7.841 2.857 -2.618 1.00 0.00 N ATOM 167 CA GLN A 13 -8.171 3.358 -3.941 1.00 0.00 C ATOM 168 C GLN A 13 -9.591 3.023 -4.303 1.00 0.00 C ATOM 169 O GLN A 13 -9.874 2.504 -5.381 1.00 0.00 O ATOM 170 CB GLN A 13 -7.243 2.781 -4.972 1.00 0.00 C ATOM 171 CG GLN A 13 -5.842 3.333 -4.859 1.00 0.00 C ATOM 172 CD GLN A 13 -5.269 3.774 -6.190 1.00 0.00 C ATOM 173 OE1 GLN A 13 -5.240 3.008 -7.153 1.00 0.00 O ATOM 174 NE2 GLN A 13 -4.808 5.019 -6.247 1.00 0.00 N ATOM 0 H GLN A 13 -7.571 1.874 -2.592 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.057 4.442 -3.922 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.213 1.697 -4.864 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.634 2.991 -5.967 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.846 4.180 -4.173 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.192 2.573 -4.424 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.853 5.618 -5.423 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.409 5.376 -7.115 1.00 0.00 H new ATOM 183 N GLU A 14 -10.457 3.317 -3.369 1.00 0.00 N ATOM 184 CA GLU A 14 -11.887 3.060 -3.506 1.00 0.00 C ATOM 185 C GLU A 14 -12.211 2.463 -4.855 1.00 0.00 C ATOM 186 O GLU A 14 -11.934 3.045 -5.903 1.00 0.00 O ATOM 187 CB GLU A 14 -12.705 4.322 -3.312 1.00 0.00 C ATOM 188 CG GLU A 14 -14.206 4.082 -3.389 1.00 0.00 C ATOM 189 CD GLU A 14 -14.998 5.377 -3.383 1.00 0.00 C ATOM 190 OE1 GLU A 14 -15.173 5.972 -4.466 1.00 0.00 O ATOM 191 OE2 GLU A 14 -15.440 5.797 -2.292 1.00 0.00 O ATOM 0 H GLU A 14 -10.199 3.745 -2.480 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.150 2.347 -2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.463 4.759 -2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.421 5.051 -4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.436 3.522 -4.296 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.517 3.465 -2.546 1.00 0.00 H new ATOM 198 N ASN A 15 -12.792 1.294 -4.799 1.00 0.00 N ATOM 199 CA ASN A 15 -13.163 0.554 -5.986 1.00 0.00 C ATOM 200 C ASN A 15 -14.265 1.237 -6.777 1.00 0.00 C ATOM 201 O ASN A 15 -15.440 1.146 -6.424 1.00 0.00 O ATOM 202 CB ASN A 15 -13.601 -0.851 -5.615 1.00 0.00 C ATOM 203 CG ASN A 15 -12.921 -1.896 -6.462 1.00 0.00 C ATOM 204 OD1 ASN A 15 -13.401 -2.261 -7.535 1.00 0.00 O ATOM 205 ND2 ASN A 15 -11.794 -2.381 -5.978 1.00 0.00 N ATOM 0 H ASN A 15 -13.025 0.822 -3.925 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.278 0.513 -6.621 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -13.378 -1.035 -4.564 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -14.681 -0.937 -5.731 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -11.279 -3.091 -6.498 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.437 -2.046 -5.083 1.00 0.00 H new ATOM 212 N PRO A 16 -13.906 1.893 -7.890 1.00 0.00 N ATOM 213 CA PRO A 16 -14.872 2.544 -8.762 1.00 0.00 C ATOM 214 C PRO A 16 -15.585 1.499 -9.600 1.00 0.00 C ATOM 215 O PRO A 16 -16.403 1.804 -10.467 1.00 0.00 O ATOM 216 CB PRO A 16 -14.017 3.469 -9.644 1.00 0.00 C ATOM 217 CG PRO A 16 -12.609 3.322 -9.152 1.00 0.00 C ATOM 218 CD PRO A 16 -12.548 2.013 -8.418 1.00 0.00 C ATOM 0 HA PRO A 16 -15.643 3.093 -8.221 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -14.095 3.188 -10.694 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -14.352 4.503 -9.565 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -11.904 3.334 -9.984 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.340 4.148 -8.494 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -12.294 1.186 -9.081 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.802 2.026 -7.624 1.00 0.00 H new ATOM 226 N PHE A 17 -15.245 0.253 -9.305 1.00 0.00 N ATOM 227 CA PHE A 17 -15.802 -0.905 -9.978 1.00 0.00 C ATOM 228 C PHE A 17 -16.991 -1.446 -9.199 1.00 0.00 C ATOM 229 O PHE A 17 -18.092 -1.583 -9.732 1.00 0.00 O ATOM 230 CB PHE A 17 -14.730 -1.986 -10.091 1.00 0.00 C ATOM 231 CG PHE A 17 -14.890 -2.873 -11.286 1.00 0.00 C ATOM 232 CD1 PHE A 17 -16.083 -2.904 -11.985 1.00 0.00 C ATOM 233 CD2 PHE A 17 -13.842 -3.668 -11.712 1.00 0.00 C ATOM 234 CE1 PHE A 17 -16.230 -3.718 -13.093 1.00 0.00 C ATOM 235 CE2 PHE A 17 -13.981 -4.486 -12.817 1.00 0.00 C ATOM 236 CZ PHE A 17 -15.177 -4.510 -13.510 1.00 0.00 C ATOM 0 H PHE A 17 -14.565 0.018 -8.582 1.00 0.00 H new ATOM 0 HA PHE A 17 -16.138 -0.612 -10.973 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -13.750 -1.510 -10.132 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -14.749 -2.599 -9.190 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -16.908 -2.286 -11.662 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.905 -3.649 -11.175 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -17.166 -3.735 -13.632 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.157 -5.105 -13.139 1.00 0.00 H new ATOM 0 HZ PHE A 17 -15.288 -5.146 -14.375 1.00 0.00 H new ATOM 246 N PHE A 18 -16.751 -1.756 -7.930 1.00 0.00 N ATOM 247 CA PHE A 18 -17.790 -2.289 -7.062 1.00 0.00 C ATOM 248 C PHE A 18 -18.578 -1.168 -6.390 1.00 0.00 C ATOM 249 O PHE A 18 -19.542 -1.421 -5.667 1.00 0.00 O ATOM 250 CB PHE A 18 -17.158 -3.190 -6.008 1.00 0.00 C ATOM 251 CG PHE A 18 -16.037 -4.029 -6.548 1.00 0.00 C ATOM 252 CD1 PHE A 18 -16.277 -4.972 -7.531 1.00 0.00 C ATOM 253 CD2 PHE A 18 -14.746 -3.873 -6.078 1.00 0.00 C ATOM 254 CE1 PHE A 18 -15.250 -5.747 -8.034 1.00 0.00 C ATOM 255 CE2 PHE A 18 -13.713 -4.644 -6.578 1.00 0.00 C ATOM 256 CZ PHE A 18 -13.966 -5.582 -7.557 1.00 0.00 C ATOM 0 H PHE A 18 -15.842 -1.646 -7.480 1.00 0.00 H new ATOM 0 HA PHE A 18 -18.485 -2.868 -7.670 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.782 -2.575 -5.190 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -17.924 -3.843 -5.590 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -17.280 -5.104 -7.910 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.542 -3.140 -5.311 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.452 -6.481 -8.800 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.709 -4.512 -6.202 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.161 -6.186 -7.949 1.00 0.00 H new ATOM 266 N SER A 19 -18.165 0.071 -6.633 1.00 0.00 N ATOM 267 CA SER A 19 -18.833 1.224 -6.052 1.00 0.00 C ATOM 268 C SER A 19 -20.279 1.301 -6.509 1.00 0.00 C ATOM 269 O SER A 19 -20.566 1.481 -7.692 1.00 0.00 O ATOM 270 CB SER A 19 -18.108 2.516 -6.421 1.00 0.00 C ATOM 271 OG SER A 19 -18.618 3.060 -7.626 1.00 0.00 O ATOM 0 H SER A 19 -17.370 0.300 -7.229 1.00 0.00 H new ATOM 0 HA SER A 19 -18.812 1.105 -4.969 1.00 0.00 H new ATOM 0 HB2 SER A 19 -18.218 3.242 -5.615 1.00 0.00 H new ATOM 0 HB3 SER A 19 -17.041 2.320 -6.529 1.00 0.00 H new ATOM 0 HG SER A 19 -19.167 2.388 -8.081 1.00 0.00 H new ATOM 277 N GLN A 20 -21.180 1.169 -5.556 1.00 0.00 N ATOM 278 CA GLN A 20 -22.610 1.229 -5.838 1.00 0.00 C ATOM 279 C GLN A 20 -23.274 2.337 -5.031 1.00 0.00 C ATOM 280 O GLN A 20 -22.609 3.082 -4.310 1.00 0.00 O ATOM 281 CB GLN A 20 -23.277 -0.113 -5.530 1.00 0.00 C ATOM 282 CG GLN A 20 -22.337 -1.302 -5.640 1.00 0.00 C ATOM 283 CD GLN A 20 -23.079 -2.621 -5.708 1.00 0.00 C ATOM 284 OE1 GLN A 20 -23.566 -3.019 -6.767 1.00 0.00 O ATOM 285 NE2 GLN A 20 -23.174 -3.305 -4.575 1.00 0.00 N ATOM 0 H GLN A 20 -20.951 1.019 -4.574 1.00 0.00 H new ATOM 0 HA GLN A 20 -22.734 1.448 -6.899 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -23.691 -0.080 -4.522 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -24.114 -0.258 -6.213 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -21.717 -1.191 -6.530 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -21.664 -1.310 -4.782 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -22.755 -2.937 -3.721 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -23.666 -4.198 -4.558 1.00 0.00 H new ATOM 294 N PRO A 21 -24.602 2.462 -5.150 1.00 0.00 N ATOM 295 CA PRO A 21 -25.371 3.487 -4.438 1.00 0.00 C ATOM 296 C PRO A 21 -25.186 3.422 -2.925 1.00 0.00 C ATOM 297 O PRO A 21 -26.096 3.023 -2.198 1.00 0.00 O ATOM 298 CB PRO A 21 -26.825 3.174 -4.804 1.00 0.00 C ATOM 299 CG PRO A 21 -26.746 2.383 -6.064 1.00 0.00 C ATOM 300 CD PRO A 21 -25.456 1.615 -5.997 1.00 0.00 C ATOM 0 HA PRO A 21 -25.050 4.489 -4.721 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -27.318 2.608 -4.013 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -27.401 4.088 -4.948 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -27.597 1.708 -6.154 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -26.765 3.037 -6.936 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -25.599 0.626 -5.562 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -25.023 1.469 -6.987 1.00 0.00 H new ATOM 308 N GLY A 22 -24.009 3.825 -2.453 1.00 0.00 N ATOM 309 CA GLY A 22 -23.743 3.813 -1.025 1.00 0.00 C ATOM 310 C GLY A 22 -22.783 2.719 -0.604 1.00 0.00 C ATOM 311 O GLY A 22 -22.866 2.213 0.515 1.00 0.00 O ATOM 0 H GLY A 22 -23.238 4.158 -3.031 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -23.334 4.779 -0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -24.683 3.688 -0.488 1.00 0.00 H new ATOM 315 N ALA A 23 -21.865 2.353 -1.492 1.00 0.00 N ATOM 316 CA ALA A 23 -20.889 1.316 -1.183 1.00 0.00 C ATOM 317 C ALA A 23 -19.778 1.284 -2.206 1.00 0.00 C ATOM 318 O ALA A 23 -19.884 0.672 -3.268 1.00 0.00 O ATOM 319 CB ALA A 23 -21.567 -0.038 -1.062 1.00 0.00 C ATOM 0 H ALA A 23 -21.777 2.756 -2.425 1.00 0.00 H new ATOM 0 HA ALA A 23 -20.437 1.555 -0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -20.821 -0.799 -0.831 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -22.309 -0.003 -0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -22.058 -0.285 -2.004 1.00 0.00 H new ATOM 325 N PRO A 24 -18.710 2.002 -1.877 1.00 0.00 N ATOM 326 CA PRO A 24 -17.537 2.170 -2.700 1.00 0.00 C ATOM 327 C PRO A 24 -16.337 1.340 -2.245 1.00 0.00 C ATOM 328 O PRO A 24 -15.520 1.790 -1.441 1.00 0.00 O ATOM 329 CB PRO A 24 -17.273 3.662 -2.494 1.00 0.00 C ATOM 330 CG PRO A 24 -17.924 4.029 -1.186 1.00 0.00 C ATOM 331 CD PRO A 24 -18.574 2.788 -0.663 1.00 0.00 C ATOM 0 HA PRO A 24 -17.686 1.845 -3.730 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.203 3.868 -2.467 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -17.690 4.248 -3.314 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.185 4.406 -0.479 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.660 4.820 -1.329 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.959 2.286 0.084 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -19.538 2.994 -0.197 1.00 0.00 H new ATOM 339 N ILE A 25 -16.247 0.130 -2.777 1.00 0.00 N ATOM 340 CA ILE A 25 -15.175 -0.792 -2.470 1.00 0.00 C ATOM 341 C ILE A 25 -13.803 -0.146 -2.524 1.00 0.00 C ATOM 342 O ILE A 25 -13.691 1.074 -2.628 1.00 0.00 O ATOM 343 CB ILE A 25 -15.257 -1.984 -3.426 1.00 0.00 C ATOM 344 CG1 ILE A 25 -16.509 -2.757 -3.094 1.00 0.00 C ATOM 345 CG2 ILE A 25 -14.046 -2.874 -3.275 1.00 0.00 C ATOM 346 CD1 ILE A 25 -16.729 -2.824 -1.608 1.00 0.00 C ATOM 0 H ILE A 25 -16.927 -0.239 -3.442 1.00 0.00 H new ATOM 0 HA ILE A 25 -15.304 -1.127 -1.441 1.00 0.00 H new ATOM 0 HB ILE A 25 -15.285 -1.632 -4.457 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -17.368 -2.285 -3.570 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -16.435 -3.766 -3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -14.125 -3.715 -3.964 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.145 -2.304 -3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -13.993 -3.246 -2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -17.639 -3.387 -1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -15.880 -3.319 -1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -16.828 -1.815 -1.209 1.00 0.00 H new ATOM 358 N LEU A 26 -12.754 -0.959 -2.368 1.00 0.00 N ATOM 359 CA LEU A 26 -11.408 -0.431 -2.316 1.00 0.00 C ATOM 360 C LEU A 26 -10.334 -1.368 -2.798 1.00 0.00 C ATOM 361 O LEU A 26 -10.573 -2.381 -3.454 1.00 0.00 O ATOM 362 CB LEU A 26 -11.128 -0.084 -0.878 1.00 0.00 C ATOM 363 CG LEU A 26 -12.392 0.113 -0.091 1.00 0.00 C ATOM 364 CD1 LEU A 26 -12.252 -0.432 1.310 1.00 0.00 C ATOM 365 CD2 LEU A 26 -12.802 1.573 -0.082 1.00 0.00 C ATOM 0 H LEU A 26 -12.820 -1.973 -2.277 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.374 0.424 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.537 -0.878 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.528 0.825 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.186 -0.450 -0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -13.182 -0.275 1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.033 -1.499 1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.440 0.084 1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.720 1.690 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.011 2.170 0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.970 1.910 -1.105 1.00 0.00 H new ATOM 377 N GLN A 27 -9.135 -0.967 -2.435 1.00 0.00 N ATOM 378 CA GLN A 27 -7.915 -1.687 -2.772 1.00 0.00 C ATOM 379 C GLN A 27 -6.694 -0.818 -2.470 1.00 0.00 C ATOM 380 O GLN A 27 -6.099 -0.215 -3.364 1.00 0.00 O ATOM 381 CB GLN A 27 -7.939 -2.106 -4.241 1.00 0.00 C ATOM 382 CG GLN A 27 -6.586 -2.553 -4.775 1.00 0.00 C ATOM 383 CD GLN A 27 -6.574 -2.701 -6.284 1.00 0.00 C ATOM 384 OE1 GLN A 27 -5.661 -2.224 -6.958 1.00 0.00 O ATOM 385 NE2 GLN A 27 -7.589 -3.363 -6.824 1.00 0.00 N ATOM 0 H GLN A 27 -8.972 -0.120 -1.890 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.852 -2.589 -2.163 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.655 -2.919 -4.366 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.298 -1.270 -4.842 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.826 -1.830 -4.479 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.316 -3.505 -4.318 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.325 -3.742 -6.228 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.633 -3.493 -7.835 1.00 0.00 H new ATOM 394 N CYS A 28 -6.359 -0.752 -1.186 1.00 0.00 N ATOM 395 CA CYS A 28 -5.236 0.044 -0.688 1.00 0.00 C ATOM 396 C CYS A 28 -4.304 0.508 -1.804 1.00 0.00 C ATOM 397 O CYS A 28 -3.710 -0.307 -2.510 1.00 0.00 O ATOM 398 CB CYS A 28 -4.428 -0.747 0.346 1.00 0.00 C ATOM 399 SG CYS A 28 -3.796 0.265 1.729 1.00 0.00 S ATOM 0 H CYS A 28 -6.862 -1.253 -0.453 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.670 0.929 -0.224 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.054 -1.543 0.749 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.586 -1.225 -0.155 1.00 0.00 H new ATOM 404 N MET A 29 -4.163 1.824 -1.942 1.00 0.00 N ATOM 405 CA MET A 29 -3.281 2.399 -2.954 1.00 0.00 C ATOM 406 C MET A 29 -1.838 1.964 -2.710 1.00 0.00 C ATOM 407 O MET A 29 -1.239 1.268 -3.530 1.00 0.00 O ATOM 408 CB MET A 29 -3.377 3.928 -2.936 1.00 0.00 C ATOM 409 CG MET A 29 -2.111 4.632 -3.399 1.00 0.00 C ATOM 410 SD MET A 29 -1.556 4.079 -5.022 1.00 0.00 S ATOM 411 CE MET A 29 -0.984 5.625 -5.726 1.00 0.00 C ATOM 0 H MET A 29 -4.648 2.512 -1.366 1.00 0.00 H new ATOM 0 HA MET A 29 -3.596 2.037 -3.933 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.206 4.237 -3.572 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.613 4.255 -1.923 1.00 0.00 H new ATOM 0 HG2 MET A 29 -2.289 5.707 -3.428 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.318 4.460 -2.671 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.608 5.449 -6.734 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.810 6.335 -5.766 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.185 6.033 -5.107 1.00 0.00 H new ATOM 421 N GLY A 30 -1.289 2.374 -1.569 1.00 0.00 N ATOM 422 CA GLY A 30 0.075 2.013 -1.226 1.00 0.00 C ATOM 423 C GLY A 30 1.074 3.117 -1.517 1.00 0.00 C ATOM 424 O GLY A 30 1.584 3.223 -2.633 1.00 0.00 O ATOM 0 H GLY A 30 -1.766 2.950 -0.876 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.122 1.759 -0.167 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.358 1.119 -1.781 1.00 0.00 H new ATOM 428 N CYS A 31 1.361 3.937 -0.511 1.00 0.00 N ATOM 429 CA CYS A 31 2.310 5.031 -0.666 1.00 0.00 C ATOM 430 C CYS A 31 2.880 5.453 0.684 1.00 0.00 C ATOM 431 O CYS A 31 2.756 6.609 1.089 1.00 0.00 O ATOM 432 CB CYS A 31 1.638 6.222 -1.347 1.00 0.00 C ATOM 433 SG CYS A 31 2.765 7.608 -1.694 1.00 0.00 S ATOM 0 H CYS A 31 0.950 3.864 0.419 1.00 0.00 H new ATOM 0 HA CYS A 31 3.132 4.682 -1.291 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.191 5.888 -2.283 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.825 6.578 -0.714 1.00 0.00 H new ATOM 438 N CYS A 32 3.504 4.506 1.377 1.00 0.00 N ATOM 439 CA CYS A 32 4.094 4.774 2.684 1.00 0.00 C ATOM 440 C CYS A 32 5.523 5.288 2.538 1.00 0.00 C ATOM 441 O CYS A 32 6.415 4.555 2.110 1.00 0.00 O ATOM 442 CB CYS A 32 4.077 3.504 3.541 1.00 0.00 C ATOM 443 SG CYS A 32 4.844 3.703 5.181 1.00 0.00 S ATOM 0 H CYS A 32 3.614 3.545 1.055 1.00 0.00 H new ATOM 0 HA CYS A 32 3.500 5.544 3.177 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.044 3.181 3.672 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.594 2.709 3.004 1.00 0.00 H new ATOM 448 N PHE A 33 5.736 6.553 2.895 1.00 0.00 N ATOM 449 CA PHE A 33 7.059 7.160 2.800 1.00 0.00 C ATOM 450 C PHE A 33 7.479 7.774 4.134 1.00 0.00 C ATOM 451 O PHE A 33 8.546 8.379 4.242 1.00 0.00 O ATOM 452 CB PHE A 33 7.078 8.228 1.704 1.00 0.00 C ATOM 453 CG PHE A 33 5.930 9.192 1.783 1.00 0.00 C ATOM 454 CD1 PHE A 33 4.650 8.793 1.433 1.00 0.00 C ATOM 455 CD2 PHE A 33 6.130 10.495 2.208 1.00 0.00 C ATOM 456 CE1 PHE A 33 3.590 9.677 1.506 1.00 0.00 C ATOM 457 CE2 PHE A 33 5.074 11.384 2.283 1.00 0.00 C ATOM 458 CZ PHE A 33 3.802 10.974 1.931 1.00 0.00 C ATOM 0 H PHE A 33 5.011 7.175 3.252 1.00 0.00 H new ATOM 0 HA PHE A 33 7.771 6.375 2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 33 8.013 8.784 1.767 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.063 7.738 0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.479 7.780 1.100 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.122 10.820 2.484 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.597 9.354 1.231 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.243 12.397 2.616 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.975 11.667 1.988 1.00 0.00 H new ATOM 468 N SER A 34 6.634 7.613 5.148 1.00 0.00 N ATOM 469 CA SER A 34 6.920 8.150 6.473 1.00 0.00 C ATOM 470 C SER A 34 7.514 7.078 7.380 1.00 0.00 C ATOM 471 O SER A 34 7.385 5.883 7.115 1.00 0.00 O ATOM 472 CB SER A 34 5.648 8.717 7.105 1.00 0.00 C ATOM 473 OG SER A 34 4.610 8.833 6.147 1.00 0.00 O ATOM 0 H SER A 34 5.747 7.115 5.077 1.00 0.00 H new ATOM 0 HA SER A 34 7.650 8.951 6.359 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.324 8.070 7.920 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.858 9.695 7.538 1.00 0.00 H new ATOM 0 HG SER A 34 3.768 8.519 6.537 1.00 0.00 H new ATOM 479 N ARG A 35 8.166 7.514 8.453 1.00 0.00 N ATOM 480 CA ARG A 35 8.780 6.593 9.403 1.00 0.00 C ATOM 481 C ARG A 35 10.054 5.985 8.825 1.00 0.00 C ATOM 482 O ARG A 35 10.711 6.588 7.975 1.00 0.00 O ATOM 483 CB ARG A 35 7.797 5.482 9.780 1.00 0.00 C ATOM 484 CG ARG A 35 6.400 5.988 10.098 1.00 0.00 C ATOM 485 CD ARG A 35 5.825 5.307 11.332 1.00 0.00 C ATOM 486 NE ARG A 35 5.205 6.265 12.245 1.00 0.00 N ATOM 487 CZ ARG A 35 4.104 6.014 12.947 1.00 0.00 C ATOM 488 NH1 ARG A 35 3.502 4.835 12.852 1.00 0.00 N ATOM 489 NH2 ARG A 35 3.604 6.943 13.750 1.00 0.00 N ATOM 0 H ARG A 35 8.283 8.500 8.687 1.00 0.00 H new ATOM 0 HA ARG A 35 9.041 7.157 10.299 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.737 4.767 8.959 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.185 4.943 10.645 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.430 7.066 10.257 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.745 5.810 9.245 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.086 4.566 11.027 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.618 4.770 11.853 1.00 0.00 H new ATOM 0 HE ARG A 35 5.643 7.180 12.350 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.884 4.115 12.238 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.658 4.648 13.393 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.064 7.850 13.829 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.759 6.751 14.289 1.00 0.00 H new ATOM 503 N ALA A 36 10.398 4.788 9.292 1.00 0.00 N ATOM 504 CA ALA A 36 11.594 4.100 8.821 1.00 0.00 C ATOM 505 C ALA A 36 12.848 4.900 9.151 1.00 0.00 C ATOM 506 O ALA A 36 13.910 4.676 8.569 1.00 0.00 O ATOM 507 CB ALA A 36 11.504 3.854 7.323 1.00 0.00 C ATOM 0 H ALA A 36 9.866 4.276 9.995 1.00 0.00 H new ATOM 0 HA ALA A 36 11.659 3.140 9.333 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.403 3.340 6.984 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.631 3.238 7.107 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.413 4.807 6.803 1.00 0.00 H new ATOM 513 N TYR A 37 12.714 5.840 10.081 1.00 0.00 N ATOM 514 CA TYR A 37 13.834 6.682 10.482 1.00 0.00 C ATOM 515 C TYR A 37 14.732 5.977 11.497 1.00 0.00 C ATOM 516 O TYR A 37 15.925 5.791 11.255 1.00 0.00 O ATOM 517 CB TYR A 37 13.326 8.001 11.063 1.00 0.00 C ATOM 518 CG TYR A 37 14.080 9.213 10.563 1.00 0.00 C ATOM 519 CD1 TYR A 37 15.295 9.076 9.900 1.00 0.00 C ATOM 520 CD2 TYR A 37 13.578 10.495 10.750 1.00 0.00 C ATOM 521 CE1 TYR A 37 15.986 10.181 9.440 1.00 0.00 C ATOM 522 CE2 TYR A 37 14.263 11.605 10.292 1.00 0.00 C ATOM 523 CZ TYR A 37 15.466 11.443 9.638 1.00 0.00 C ATOM 524 OH TYR A 37 16.151 12.545 9.181 1.00 0.00 O ATOM 0 H TYR A 37 11.841 6.037 10.571 1.00 0.00 H new ATOM 0 HA TYR A 37 14.428 6.886 9.591 1.00 0.00 H new ATOM 0 HB2 TYR A 37 12.270 8.114 10.818 1.00 0.00 H new ATOM 0 HB3 TYR A 37 13.398 7.961 12.150 1.00 0.00 H new ATOM 0 HD1 TYR A 37 15.705 8.090 9.742 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.636 10.627 11.262 1.00 0.00 H new ATOM 0 HE1 TYR A 37 16.929 10.057 8.928 1.00 0.00 H new ATOM 0 HE2 TYR A 37 13.858 12.594 10.446 1.00 0.00 H new ATOM 0 HH TYR A 37 15.648 13.357 9.400 1.00 0.00 H new ATOM 534 N PRO A 38 14.173 5.575 12.651 1.00 0.00 N ATOM 535 CA PRO A 38 14.938 4.890 13.698 1.00 0.00 C ATOM 536 C PRO A 38 15.533 3.580 13.197 1.00 0.00 C ATOM 537 O PRO A 38 15.180 3.105 12.118 1.00 0.00 O ATOM 538 CB PRO A 38 13.908 4.637 14.805 1.00 0.00 C ATOM 539 CG PRO A 38 12.580 4.754 14.137 1.00 0.00 C ATOM 540 CD PRO A 38 12.760 5.749 13.025 1.00 0.00 C ATOM 0 HA PRO A 38 15.789 5.481 14.038 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.040 3.650 15.248 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.009 5.364 15.611 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.253 3.790 13.748 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.818 5.089 14.841 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.093 5.544 12.188 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.552 6.766 13.356 1.00 0.00 H new ATOM 548 N THR A 39 16.447 3.005 13.974 1.00 0.00 N ATOM 549 CA THR A 39 17.091 1.757 13.582 1.00 0.00 C ATOM 550 C THR A 39 17.411 1.784 12.092 1.00 0.00 C ATOM 551 O THR A 39 16.963 0.926 11.331 1.00 0.00 O ATOM 552 CB THR A 39 16.191 0.564 13.906 1.00 0.00 C ATOM 553 OG1 THR A 39 15.309 0.295 12.829 1.00 0.00 O ATOM 554 CG2 THR A 39 15.352 0.769 15.149 1.00 0.00 C ATOM 0 H THR A 39 16.756 3.380 14.871 1.00 0.00 H new ATOM 0 HA THR A 39 18.019 1.651 14.144 1.00 0.00 H new ATOM 0 HB THR A 39 16.868 -0.272 14.079 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.828 0.124 12.016 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.737 -0.114 15.322 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.005 0.930 16.006 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.709 1.639 15.015 1.00 0.00 H new ATOM 562 N PRO A 40 18.184 2.790 11.661 1.00 0.00 N ATOM 563 CA PRO A 40 18.563 2.959 10.256 1.00 0.00 C ATOM 564 C PRO A 40 19.324 1.764 9.700 1.00 0.00 C ATOM 565 O PRO A 40 20.297 1.299 10.295 1.00 0.00 O ATOM 566 CB PRO A 40 19.465 4.197 10.267 1.00 0.00 C ATOM 567 CG PRO A 40 19.112 4.918 11.520 1.00 0.00 C ATOM 568 CD PRO A 40 18.739 3.855 12.512 1.00 0.00 C ATOM 0 HA PRO A 40 17.684 3.057 9.619 1.00 0.00 H new ATOM 0 HB2 PRO A 40 20.519 3.918 10.255 1.00 0.00 H new ATOM 0 HB3 PRO A 40 19.291 4.820 9.390 1.00 0.00 H new ATOM 0 HG2 PRO A 40 19.953 5.511 11.880 1.00 0.00 H new ATOM 0 HG3 PRO A 40 18.283 5.607 11.355 1.00 0.00 H new ATOM 0 HD2 PRO A 40 19.604 3.510 13.078 1.00 0.00 H new ATOM 0 HD3 PRO A 40 18.008 4.216 13.235 1.00 0.00 H new ATOM 576 N LEU A 41 18.882 1.285 8.545 1.00 0.00 N ATOM 577 CA LEU A 41 19.525 0.159 7.885 1.00 0.00 C ATOM 578 C LEU A 41 20.031 0.578 6.510 1.00 0.00 C ATOM 579 O LEU A 41 20.769 -0.157 5.855 1.00 0.00 O ATOM 580 CB LEU A 41 18.553 -1.016 7.757 1.00 0.00 C ATOM 581 CG LEU A 41 17.655 -0.984 6.520 1.00 0.00 C ATOM 582 CD1 LEU A 41 17.889 -2.218 5.664 1.00 0.00 C ATOM 583 CD2 LEU A 41 16.192 -0.883 6.924 1.00 0.00 C ATOM 0 H LEU A 41 18.077 1.661 8.045 1.00 0.00 H new ATOM 0 HA LEU A 41 20.373 -0.161 8.491 1.00 0.00 H new ATOM 0 HB2 LEU A 41 19.127 -1.943 7.746 1.00 0.00 H new ATOM 0 HB3 LEU A 41 17.921 -1.043 8.645 1.00 0.00 H new ATOM 0 HG LEU A 41 17.909 -0.102 5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 41 17.242 -2.181 4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 41 18.931 -2.248 5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.662 -3.112 6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 41 15.568 -0.861 6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 41 15.923 -1.745 7.534 1.00 0.00 H new ATOM 0 HD23 LEU A 41 16.035 0.030 7.498 1.00 0.00 H new ATOM 595 N ARG A 42 19.629 1.772 6.085 1.00 0.00 N ATOM 596 CA ARG A 42 20.039 2.306 4.793 1.00 0.00 C ATOM 597 C ARG A 42 21.483 1.927 4.486 1.00 0.00 C ATOM 598 O ARG A 42 22.241 1.556 5.382 1.00 0.00 O ATOM 599 CB ARG A 42 19.885 3.829 4.781 1.00 0.00 C ATOM 600 CG ARG A 42 18.905 4.334 3.735 1.00 0.00 C ATOM 601 CD ARG A 42 17.496 4.430 4.296 1.00 0.00 C ATOM 602 NE ARG A 42 17.141 5.800 4.661 1.00 0.00 N ATOM 603 CZ ARG A 42 16.024 6.125 5.303 1.00 0.00 C ATOM 604 NH1 ARG A 42 15.170 5.178 5.671 1.00 0.00 N ATOM 605 NH2 ARG A 42 15.766 7.394 5.587 1.00 0.00 N ATOM 0 H ARG A 42 19.018 2.389 6.620 1.00 0.00 H new ATOM 0 HA ARG A 42 19.398 1.875 4.024 1.00 0.00 H new ATOM 0 HB2 ARG A 42 19.555 4.160 5.766 1.00 0.00 H new ATOM 0 HB3 ARG A 42 20.860 4.283 4.602 1.00 0.00 H new ATOM 0 HG2 ARG A 42 19.224 5.313 3.378 1.00 0.00 H new ATOM 0 HG3 ARG A 42 18.911 3.664 2.875 1.00 0.00 H new ATOM 0 HD2 ARG A 42 16.786 4.057 3.558 1.00 0.00 H new ATOM 0 HD3 ARG A 42 17.411 3.788 5.173 1.00 0.00 H new ATOM 0 HE ARG A 42 17.787 6.548 4.409 1.00 0.00 H new ATOM 0 HH11 ARG A 42 15.371 4.200 5.461 1.00 0.00 H new ATOM 0 HH12 ARG A 42 14.313 5.428 6.164 1.00 0.00 H new ATOM 0 HH21 ARG A 42 16.425 8.122 5.313 1.00 0.00 H new ATOM 0 HH22 ARG A 42 14.908 7.642 6.080 1.00 0.00 H new ATOM 619 N SER A 43 21.859 2.023 3.216 1.00 0.00 N ATOM 620 CA SER A 43 23.214 1.689 2.797 1.00 0.00 C ATOM 621 C SER A 43 23.545 0.239 3.141 1.00 0.00 C ATOM 622 O SER A 43 22.678 -0.633 3.089 1.00 0.00 O ATOM 623 CB SER A 43 24.223 2.630 3.461 1.00 0.00 C ATOM 624 OG SER A 43 23.717 3.952 3.538 1.00 0.00 O ATOM 0 H SER A 43 21.246 2.329 2.460 1.00 0.00 H new ATOM 0 HA SER A 43 23.276 1.810 1.716 1.00 0.00 H new ATOM 0 HB2 SER A 43 24.457 2.268 4.462 1.00 0.00 H new ATOM 0 HB3 SER A 43 25.155 2.627 2.895 1.00 0.00 H new ATOM 0 HG SER A 43 24.380 4.532 3.968 1.00 0.00 H new ATOM 630 N LYS A 44 24.803 -0.013 3.491 1.00 0.00 N ATOM 631 CA LYS A 44 25.242 -1.359 3.842 1.00 0.00 C ATOM 632 C LYS A 44 24.918 -2.344 2.723 1.00 0.00 C ATOM 633 O LYS A 44 25.732 -2.567 1.826 1.00 0.00 O ATOM 634 CB LYS A 44 24.585 -1.812 5.147 1.00 0.00 C ATOM 635 CG LYS A 44 25.370 -1.418 6.386 1.00 0.00 C ATOM 636 CD LYS A 44 24.533 -1.551 7.648 1.00 0.00 C ATOM 637 CE LYS A 44 25.399 -1.862 8.859 1.00 0.00 C ATOM 638 NZ LYS A 44 25.792 -3.298 8.908 1.00 0.00 N ATOM 0 H LYS A 44 25.535 0.696 3.539 1.00 0.00 H new ATOM 0 HA LYS A 44 26.323 -1.337 3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 44 23.584 -1.384 5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 44 24.468 -2.896 5.129 1.00 0.00 H new ATOM 0 HG2 LYS A 44 26.257 -2.046 6.470 1.00 0.00 H new ATOM 0 HG3 LYS A 44 25.716 -0.389 6.286 1.00 0.00 H new ATOM 0 HD2 LYS A 44 23.983 -0.626 7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 44 23.794 -2.341 7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 44 26.295 -1.241 8.834 1.00 0.00 H new ATOM 0 HE3 LYS A 44 24.857 -1.603 9.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 26.381 -3.468 9.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 24.938 -3.890 8.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 26.331 -3.540 8.052 1.00 0.00 H new ATOM 652 N LYS A 45 23.727 -2.930 2.779 1.00 0.00 N ATOM 653 CA LYS A 45 23.306 -3.888 1.765 1.00 0.00 C ATOM 654 C LYS A 45 23.303 -3.248 0.382 1.00 0.00 C ATOM 655 O LYS A 45 22.349 -2.572 -0.001 1.00 0.00 O ATOM 656 CB LYS A 45 21.918 -4.438 2.085 1.00 0.00 C ATOM 657 CG LYS A 45 21.652 -5.798 1.462 1.00 0.00 C ATOM 658 CD LYS A 45 20.829 -5.676 0.191 1.00 0.00 C ATOM 659 CE LYS A 45 21.715 -5.578 -1.041 1.00 0.00 C ATOM 660 NZ LYS A 45 21.522 -6.733 -1.960 1.00 0.00 N ATOM 0 H LYS A 45 23.039 -2.759 3.513 1.00 0.00 H new ATOM 0 HA LYS A 45 24.020 -4.711 1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 45 21.805 -4.513 3.167 1.00 0.00 H new ATOM 0 HB3 LYS A 45 21.165 -3.732 1.734 1.00 0.00 H new ATOM 0 HG2 LYS A 45 22.599 -6.288 1.238 1.00 0.00 H new ATOM 0 HG3 LYS A 45 21.127 -6.431 2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 45 20.170 -6.540 0.099 1.00 0.00 H new ATOM 0 HD3 LYS A 45 20.191 -4.794 0.253 1.00 0.00 H new ATOM 0 HE2 LYS A 45 21.496 -4.652 -1.572 1.00 0.00 H new ATOM 0 HE3 LYS A 45 22.760 -5.530 -0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 22.144 -6.627 -2.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 21.755 -7.616 -1.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 20.531 -6.765 -2.275 1.00 0.00 H new ATOM 674 N THR A 46 24.379 -3.468 -0.362 1.00 0.00 N ATOM 675 CA THR A 46 24.506 -2.918 -1.704 1.00 0.00 C ATOM 676 C THR A 46 25.672 -3.568 -2.438 1.00 0.00 C ATOM 677 O THR A 46 25.508 -4.592 -3.100 1.00 0.00 O ATOM 678 CB THR A 46 24.707 -1.403 -1.643 1.00 0.00 C ATOM 679 OG1 THR A 46 23.542 -0.761 -1.156 1.00 0.00 O ATOM 680 CG2 THR A 46 25.040 -0.792 -2.987 1.00 0.00 C ATOM 0 H THR A 46 25.178 -4.025 -0.058 1.00 0.00 H new ATOM 0 HA THR A 46 23.586 -3.129 -2.249 1.00 0.00 H new ATOM 0 HB THR A 46 25.551 -1.249 -0.971 1.00 0.00 H new ATOM 0 HG1 THR A 46 22.844 -1.429 -0.994 1.00 0.00 H new ATOM 0 HG21 THR A 46 25.170 0.284 -2.875 1.00 0.00 H new ATOM 0 HG22 THR A 46 25.962 -1.231 -3.368 1.00 0.00 H new ATOM 0 HG23 THR A 46 24.228 -0.988 -3.687 1.00 0.00 H new ATOM 688 N MET A 47 26.850 -2.969 -2.305 1.00 0.00 N ATOM 689 CA MET A 47 28.051 -3.491 -2.944 1.00 0.00 C ATOM 690 C MET A 47 28.204 -2.961 -4.366 1.00 0.00 C ATOM 691 O MET A 47 29.039 -2.095 -4.628 1.00 0.00 O ATOM 692 CB MET A 47 28.022 -5.020 -2.960 1.00 0.00 C ATOM 693 CG MET A 47 29.344 -5.653 -2.565 1.00 0.00 C ATOM 694 SD MET A 47 30.392 -6.013 -3.987 1.00 0.00 S ATOM 695 CE MET A 47 31.988 -6.177 -3.192 1.00 0.00 C ATOM 0 H MET A 47 26.998 -2.120 -1.759 1.00 0.00 H new ATOM 0 HA MET A 47 28.908 -3.152 -2.362 1.00 0.00 H new ATOM 0 HB2 MET A 47 27.244 -5.368 -2.281 1.00 0.00 H new ATOM 0 HB3 MET A 47 27.749 -5.360 -3.959 1.00 0.00 H new ATOM 0 HG2 MET A 47 29.875 -4.984 -1.887 1.00 0.00 H new ATOM 0 HG3 MET A 47 29.152 -6.575 -2.017 1.00 0.00 H new ATOM 0 HE1 MET A 47 32.747 -6.401 -3.942 1.00 0.00 H new ATOM 0 HE2 MET A 47 32.241 -5.244 -2.688 1.00 0.00 H new ATOM 0 HE3 MET A 47 31.949 -6.985 -2.462 1.00 0.00 H new ATOM 705 N LEU A 48 27.403 -3.493 -5.283 1.00 0.00 N ATOM 706 CA LEU A 48 27.465 -3.078 -6.679 1.00 0.00 C ATOM 707 C LEU A 48 26.075 -2.799 -7.240 1.00 0.00 C ATOM 708 O LEU A 48 25.096 -2.717 -6.498 1.00 0.00 O ATOM 709 CB LEU A 48 28.157 -4.154 -7.519 1.00 0.00 C ATOM 710 CG LEU A 48 29.153 -5.031 -6.758 1.00 0.00 C ATOM 711 CD1 LEU A 48 29.379 -6.344 -7.493 1.00 0.00 C ATOM 712 CD2 LEU A 48 30.469 -4.294 -6.564 1.00 0.00 C ATOM 0 H LEU A 48 26.705 -4.210 -5.085 1.00 0.00 H new ATOM 0 HA LEU A 48 28.041 -2.154 -6.726 1.00 0.00 H new ATOM 0 HB2 LEU A 48 27.394 -4.796 -7.959 1.00 0.00 H new ATOM 0 HB3 LEU A 48 28.680 -3.669 -8.343 1.00 0.00 H new ATOM 0 HG LEU A 48 28.735 -5.255 -5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 48 30.090 -6.955 -6.937 1.00 0.00 H new ATOM 0 HD12 LEU A 48 28.433 -6.879 -7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 48 29.776 -6.141 -8.488 1.00 0.00 H new ATOM 0 HD21 LEU A 48 31.167 -4.932 -6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 48 30.891 -4.041 -7.537 1.00 0.00 H new ATOM 0 HD23 LEU A 48 30.294 -3.381 -5.995 1.00 0.00 H new ATOM 724 N VAL A 49 26.002 -2.652 -8.559 1.00 0.00 N ATOM 725 CA VAL A 49 24.740 -2.380 -9.234 1.00 0.00 C ATOM 726 C VAL A 49 23.944 -3.668 -9.443 1.00 0.00 C ATOM 727 O VAL A 49 24.280 -4.710 -8.880 1.00 0.00 O ATOM 728 CB VAL A 49 24.977 -1.690 -10.594 1.00 0.00 C ATOM 729 CG1 VAL A 49 25.298 -2.713 -11.674 1.00 0.00 C ATOM 730 CG2 VAL A 49 23.775 -0.844 -10.987 1.00 0.00 C ATOM 0 H VAL A 49 26.806 -2.717 -9.183 1.00 0.00 H new ATOM 0 HA VAL A 49 24.165 -1.709 -8.595 1.00 0.00 H new ATOM 0 HB VAL A 49 25.837 -1.029 -10.492 1.00 0.00 H new ATOM 0 HG11 VAL A 49 25.461 -2.202 -12.623 1.00 0.00 H new ATOM 0 HG12 VAL A 49 26.198 -3.262 -11.399 1.00 0.00 H new ATOM 0 HG13 VAL A 49 24.465 -3.409 -11.775 1.00 0.00 H new ATOM 0 HG21 VAL A 49 23.964 -0.367 -11.949 1.00 0.00 H new ATOM 0 HG22 VAL A 49 22.893 -1.479 -11.065 1.00 0.00 H new ATOM 0 HG23 VAL A 49 23.606 -0.079 -10.230 1.00 0.00 H new ATOM 740 N GLN A 50 22.886 -3.587 -10.248 1.00 0.00 N ATOM 741 CA GLN A 50 22.037 -4.742 -10.530 1.00 0.00 C ATOM 742 C GLN A 50 20.828 -4.767 -9.601 1.00 0.00 C ATOM 743 O GLN A 50 20.541 -5.780 -8.962 1.00 0.00 O ATOM 744 CB GLN A 50 22.828 -6.045 -10.393 1.00 0.00 C ATOM 745 CG GLN A 50 22.355 -7.144 -11.331 1.00 0.00 C ATOM 746 CD GLN A 50 23.501 -7.844 -12.035 1.00 0.00 C ATOM 747 OE1 GLN A 50 24.016 -7.358 -13.043 1.00 0.00 O ATOM 748 NE2 GLN A 50 23.905 -8.995 -11.507 1.00 0.00 N ATOM 0 H GLN A 50 22.596 -2.729 -10.718 1.00 0.00 H new ATOM 0 HA GLN A 50 21.685 -4.653 -11.558 1.00 0.00 H new ATOM 0 HB2 GLN A 50 23.882 -5.843 -10.585 1.00 0.00 H new ATOM 0 HB3 GLN A 50 22.754 -6.399 -9.365 1.00 0.00 H new ATOM 0 HG2 GLN A 50 21.780 -7.877 -10.765 1.00 0.00 H new ATOM 0 HG3 GLN A 50 21.683 -6.717 -12.075 1.00 0.00 H new ATOM 0 HE21 GLN A 50 23.449 -9.360 -10.671 1.00 0.00 H new ATOM 0 HE22 GLN A 50 24.671 -9.513 -11.938 1.00 0.00 H new ATOM 757 N LYS A 51 20.121 -3.645 -9.537 1.00 0.00 N ATOM 758 CA LYS A 51 18.938 -3.527 -8.694 1.00 0.00 C ATOM 759 C LYS A 51 18.294 -2.155 -8.865 1.00 0.00 C ATOM 760 O LYS A 51 18.069 -1.437 -7.891 1.00 0.00 O ATOM 761 CB LYS A 51 19.304 -3.756 -7.226 1.00 0.00 C ATOM 762 CG LYS A 51 18.106 -3.741 -6.292 1.00 0.00 C ATOM 763 CD LYS A 51 18.420 -4.425 -4.973 1.00 0.00 C ATOM 764 CE LYS A 51 17.407 -5.513 -4.659 1.00 0.00 C ATOM 765 NZ LYS A 51 18.060 -6.764 -4.184 1.00 0.00 N ATOM 0 H LYS A 51 20.348 -2.800 -10.062 1.00 0.00 H new ATOM 0 HA LYS A 51 18.222 -4.289 -9.000 1.00 0.00 H new ATOM 0 HB2 LYS A 51 19.815 -4.714 -7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 51 20.009 -2.987 -6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 51 17.802 -2.711 -6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 51 17.264 -4.241 -6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 51 19.420 -4.857 -5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 51 18.425 -3.687 -4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 51 16.714 -5.154 -3.898 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.818 -5.728 -5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 17.333 -7.480 -3.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 18.702 -7.121 -4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 18.602 -6.566 -3.319 1.00 0.00 H new ATOM 779 N ASN A 52 18.009 -1.797 -10.114 1.00 0.00 N ATOM 780 CA ASN A 52 17.399 -0.509 -10.423 1.00 0.00 C ATOM 781 C ASN A 52 15.880 -0.623 -10.511 1.00 0.00 C ATOM 782 O ASN A 52 15.338 -1.031 -11.537 1.00 0.00 O ATOM 783 CB ASN A 52 17.954 0.034 -11.743 1.00 0.00 C ATOM 784 CG ASN A 52 17.116 1.166 -12.304 1.00 0.00 C ATOM 785 OD1 ASN A 52 16.431 1.869 -11.561 1.00 0.00 O ATOM 786 ND2 ASN A 52 17.165 1.342 -13.621 1.00 0.00 N ATOM 0 H ASN A 52 18.191 -2.382 -10.929 1.00 0.00 H new ATOM 0 HA ASN A 52 17.644 0.180 -9.615 1.00 0.00 H new ATOM 0 HB2 ASN A 52 18.974 0.384 -11.587 1.00 0.00 H new ATOM 0 HB3 ASN A 52 18.002 -0.774 -12.473 1.00 0.00 H new ATOM 0 HD22 ASN A 52 17.748 0.733 -14.196 1.00 0.00 H new ATOM 791 N VAL A 53 15.196 -0.253 -9.432 1.00 0.00 N ATOM 792 CA VAL A 53 13.738 -0.310 -9.399 1.00 0.00 C ATOM 793 C VAL A 53 13.142 0.908 -8.709 1.00 0.00 C ATOM 794 O VAL A 53 11.928 1.003 -8.530 1.00 0.00 O ATOM 795 CB VAL A 53 13.226 -1.578 -8.694 1.00 0.00 C ATOM 796 CG1 VAL A 53 12.953 -2.678 -9.707 1.00 0.00 C ATOM 797 CG2 VAL A 53 14.213 -2.046 -7.633 1.00 0.00 C ATOM 0 H VAL A 53 15.626 0.088 -8.572 1.00 0.00 H new ATOM 0 HA VAL A 53 13.417 -0.328 -10.440 1.00 0.00 H new ATOM 0 HB VAL A 53 12.288 -1.336 -8.193 1.00 0.00 H new ATOM 0 HG11 VAL A 53 12.592 -3.567 -9.190 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.199 -2.339 -10.417 1.00 0.00 H new ATOM 0 HG13 VAL A 53 13.873 -2.917 -10.241 1.00 0.00 H new ATOM 0 HG21 VAL A 53 13.828 -2.944 -7.149 1.00 0.00 H new ATOM 0 HG22 VAL A 53 15.172 -2.269 -8.101 1.00 0.00 H new ATOM 0 HG23 VAL A 53 14.346 -1.261 -6.888 1.00 0.00 H new ATOM 807 N THR A 54 14.004 1.837 -8.333 1.00 0.00 N ATOM 808 CA THR A 54 13.574 3.061 -7.666 1.00 0.00 C ATOM 809 C THR A 54 12.465 2.774 -6.655 1.00 0.00 C ATOM 810 O THR A 54 12.180 1.618 -6.344 1.00 0.00 O ATOM 811 CB THR A 54 13.096 4.085 -8.702 1.00 0.00 C ATOM 812 OG1 THR A 54 11.949 4.778 -8.242 1.00 0.00 O ATOM 813 CG2 THR A 54 12.749 3.464 -10.038 1.00 0.00 C ATOM 0 H THR A 54 15.011 1.769 -8.478 1.00 0.00 H new ATOM 0 HA THR A 54 14.426 3.473 -7.125 1.00 0.00 H new ATOM 0 HB THR A 54 13.936 4.766 -8.838 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.154 4.222 -8.380 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.418 4.242 -10.726 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.629 2.967 -10.448 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.950 2.735 -9.904 1.00 0.00 H new ATOM 821 N SER A 55 11.848 3.837 -6.148 1.00 0.00 N ATOM 822 CA SER A 55 10.769 3.717 -5.171 1.00 0.00 C ATOM 823 C SER A 55 10.944 2.481 -4.292 1.00 0.00 C ATOM 824 O SER A 55 10.616 1.366 -4.697 1.00 0.00 O ATOM 825 CB SER A 55 9.413 3.667 -5.881 1.00 0.00 C ATOM 826 OG SER A 55 9.068 4.936 -6.410 1.00 0.00 O ATOM 0 H SER A 55 12.079 4.798 -6.399 1.00 0.00 H new ATOM 0 HA SER A 55 10.806 4.596 -4.527 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.446 2.931 -6.685 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.644 3.340 -5.181 1.00 0.00 H new ATOM 0 HG SER A 55 8.199 4.878 -6.860 1.00 0.00 H new ATOM 832 N GLU A 56 11.458 2.690 -3.084 1.00 0.00 N ATOM 833 CA GLU A 56 11.674 1.596 -2.144 1.00 0.00 C ATOM 834 C GLU A 56 11.070 1.924 -0.781 1.00 0.00 C ATOM 835 O GLU A 56 11.692 2.605 0.036 1.00 0.00 O ATOM 836 CB GLU A 56 13.168 1.312 -1.995 1.00 0.00 C ATOM 837 CG GLU A 56 13.997 2.556 -1.723 1.00 0.00 C ATOM 838 CD GLU A 56 15.038 2.811 -2.796 1.00 0.00 C ATOM 839 OE1 GLU A 56 15.015 2.105 -3.826 1.00 0.00 O ATOM 840 OE2 GLU A 56 15.876 3.718 -2.606 1.00 0.00 O ATOM 0 H GLU A 56 11.733 3.607 -2.733 1.00 0.00 H new ATOM 0 HA GLU A 56 11.180 0.708 -2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.315 0.602 -1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.532 0.834 -2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.336 3.420 -1.651 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.493 2.453 -0.758 1.00 0.00 H new ATOM 847 N SER A 57 9.856 1.436 -0.544 1.00 0.00 N ATOM 848 CA SER A 57 9.168 1.678 0.720 1.00 0.00 C ATOM 849 C SER A 57 8.599 0.381 1.295 1.00 0.00 C ATOM 850 O SER A 57 9.155 -0.698 1.089 1.00 0.00 O ATOM 851 CB SER A 57 8.047 2.702 0.526 1.00 0.00 C ATOM 852 OG SER A 57 8.338 3.584 -0.545 1.00 0.00 O ATOM 0 H SER A 57 9.329 0.871 -1.210 1.00 0.00 H new ATOM 0 HA SER A 57 9.895 2.075 1.428 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.108 2.184 0.329 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.910 3.273 1.444 1.00 0.00 H new ATOM 0 HG SER A 57 7.605 4.226 -0.648 1.00 0.00 H new ATOM 858 N THR A 58 7.491 0.497 2.023 1.00 0.00 N ATOM 859 CA THR A 58 6.851 -0.663 2.635 1.00 0.00 C ATOM 860 C THR A 58 5.529 -0.992 1.944 1.00 0.00 C ATOM 861 O THR A 58 5.242 -0.490 0.858 1.00 0.00 O ATOM 862 CB THR A 58 6.607 -0.404 4.123 1.00 0.00 C ATOM 863 OG1 THR A 58 5.747 0.707 4.305 1.00 0.00 O ATOM 864 CG2 THR A 58 7.878 -0.133 4.901 1.00 0.00 C ATOM 0 H THR A 58 7.018 1.383 2.203 1.00 0.00 H new ATOM 0 HA THR A 58 7.519 -1.516 2.520 1.00 0.00 H new ATOM 0 HB THR A 58 6.155 -1.320 4.504 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.471 0.757 5.244 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.633 0.042 5.949 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.543 -0.993 4.823 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.374 0.747 4.492 1.00 0.00 H new ATOM 872 N CYS A 59 4.728 -1.840 2.586 1.00 0.00 N ATOM 873 CA CYS A 59 3.434 -2.237 2.040 1.00 0.00 C ATOM 874 C CYS A 59 2.359 -2.192 3.118 1.00 0.00 C ATOM 875 O CYS A 59 2.589 -2.606 4.254 1.00 0.00 O ATOM 876 CB CYS A 59 3.511 -3.643 1.437 1.00 0.00 C ATOM 877 SG CYS A 59 5.125 -4.463 1.649 1.00 0.00 S ATOM 0 H CYS A 59 4.953 -2.265 3.485 1.00 0.00 H new ATOM 0 HA CYS A 59 3.170 -1.532 1.252 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.739 -4.263 1.892 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.285 -3.582 0.372 1.00 0.00 H new ATOM 882 N CYS A 60 1.185 -1.684 2.756 1.00 0.00 N ATOM 883 CA CYS A 60 0.078 -1.584 3.698 1.00 0.00 C ATOM 884 C CYS A 60 -1.056 -2.527 3.313 1.00 0.00 C ATOM 885 O CYS A 60 -1.949 -2.162 2.549 1.00 0.00 O ATOM 886 CB CYS A 60 -0.437 -0.144 3.763 1.00 0.00 C ATOM 887 SG CYS A 60 -0.310 0.767 2.190 1.00 0.00 S ATOM 0 H CYS A 60 0.977 -1.336 1.820 1.00 0.00 H new ATOM 0 HA CYS A 60 0.446 -1.875 4.682 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.480 -0.157 4.079 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.121 0.395 4.528 1.00 0.00 H new ATOM 892 N VAL A 61 -1.016 -3.741 3.854 1.00 0.00 N ATOM 893 CA VAL A 61 -2.044 -4.735 3.574 1.00 0.00 C ATOM 894 C VAL A 61 -3.249 -4.532 4.483 1.00 0.00 C ATOM 895 O VAL A 61 -3.416 -5.245 5.471 1.00 0.00 O ATOM 896 CB VAL A 61 -1.510 -6.169 3.758 1.00 0.00 C ATOM 897 CG1 VAL A 61 -0.866 -6.331 5.127 1.00 0.00 C ATOM 898 CG2 VAL A 61 -2.628 -7.182 3.563 1.00 0.00 C ATOM 0 H VAL A 61 -0.283 -4.059 4.488 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.343 -4.603 2.534 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.747 -6.352 3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.496 -7.350 5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.036 -5.631 5.224 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.604 -6.128 5.903 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.234 -8.189 3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.415 -7.001 4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.038 -7.083 2.558 1.00 0.00 H new ATOM 908 N ALA A 62 -4.083 -3.553 4.135 1.00 0.00 N ATOM 909 CA ALA A 62 -5.285 -3.235 4.907 1.00 0.00 C ATOM 910 C ALA A 62 -5.248 -3.838 6.310 1.00 0.00 C ATOM 911 O ALA A 62 -5.363 -5.052 6.475 1.00 0.00 O ATOM 912 CB ALA A 62 -6.519 -3.717 4.165 1.00 0.00 C ATOM 0 H ALA A 62 -3.947 -2.961 3.316 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.323 -2.152 5.021 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.410 -3.477 4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.575 -3.225 3.194 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.459 -4.796 4.022 1.00 0.00 H new ATOM 918 N LYS A 63 -5.127 -2.982 7.323 1.00 0.00 N ATOM 919 CA LYS A 63 -5.118 -3.443 8.701 1.00 0.00 C ATOM 920 C LYS A 63 -6.337 -4.307 8.922 1.00 0.00 C ATOM 921 O LYS A 63 -6.302 -5.320 9.621 1.00 0.00 O ATOM 922 CB LYS A 63 -5.154 -2.257 9.660 1.00 0.00 C ATOM 923 CG LYS A 63 -4.964 -2.654 11.111 1.00 0.00 C ATOM 924 CD LYS A 63 -5.916 -1.899 12.026 1.00 0.00 C ATOM 925 CE LYS A 63 -5.479 -0.455 12.215 1.00 0.00 C ATOM 926 NZ LYS A 63 -5.677 0.008 13.617 1.00 0.00 N ATOM 0 H LYS A 63 -5.035 -1.972 7.212 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.207 -4.012 8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.375 -1.548 9.379 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.108 -1.741 9.553 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.127 -3.726 11.220 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.935 -2.456 11.412 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.922 -1.924 11.607 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.962 -2.396 12.995 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.428 -0.356 11.945 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.043 0.186 11.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.367 0.997 13.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.684 -0.062 13.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.118 -0.587 14.261 1.00 0.00 H new ATOM 940 N SER A 64 -7.412 -3.886 8.283 1.00 0.00 N ATOM 941 CA SER A 64 -8.679 -4.582 8.341 1.00 0.00 C ATOM 942 C SER A 64 -9.256 -4.653 6.939 1.00 0.00 C ATOM 943 O SER A 64 -8.656 -4.142 5.994 1.00 0.00 O ATOM 944 CB SER A 64 -9.646 -3.862 9.281 1.00 0.00 C ATOM 945 OG SER A 64 -9.656 -4.465 10.563 1.00 0.00 O ATOM 0 H SER A 64 -7.429 -3.045 7.706 1.00 0.00 H new ATOM 0 HA SER A 64 -8.527 -5.589 8.729 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.358 -2.814 9.371 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.651 -3.882 8.859 1.00 0.00 H new ATOM 0 HG SER A 64 -10.281 -3.985 11.145 1.00 0.00 H new ATOM 951 N TYR A 65 -10.410 -5.276 6.790 1.00 0.00 N ATOM 952 CA TYR A 65 -11.021 -5.380 5.476 1.00 0.00 C ATOM 953 C TYR A 65 -12.507 -5.636 5.567 1.00 0.00 C ATOM 954 O TYR A 65 -13.003 -6.197 6.544 1.00 0.00 O ATOM 955 CB TYR A 65 -10.378 -6.509 4.666 1.00 0.00 C ATOM 956 CG TYR A 65 -10.011 -7.721 5.490 1.00 0.00 C ATOM 957 CD1 TYR A 65 -10.672 -8.001 6.678 1.00 0.00 C ATOM 958 CD2 TYR A 65 -9.002 -8.584 5.079 1.00 0.00 C ATOM 959 CE1 TYR A 65 -10.339 -9.107 7.436 1.00 0.00 C ATOM 960 CE2 TYR A 65 -8.662 -9.693 5.833 1.00 0.00 C ATOM 961 CZ TYR A 65 -9.334 -9.950 7.010 1.00 0.00 C ATOM 962 OH TYR A 65 -9.000 -11.051 7.765 1.00 0.00 O ATOM 0 H TYR A 65 -10.937 -5.711 7.547 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.857 -4.425 4.978 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -11.065 -6.813 3.876 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -9.481 -6.128 4.179 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -11.460 -7.343 7.015 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.475 -8.386 4.157 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -10.863 -9.311 8.358 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.875 -10.354 5.502 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.274 -11.541 7.325 1.00 0.00 H new ATOM 972 N ASN A 66 -13.207 -5.262 4.513 1.00 0.00 N ATOM 973 CA ASN A 66 -14.638 -5.501 4.446 1.00 0.00 C ATOM 974 C ASN A 66 -14.926 -6.269 3.183 1.00 0.00 C ATOM 975 O ASN A 66 -16.002 -6.192 2.595 1.00 0.00 O ATOM 976 CB ASN A 66 -15.430 -4.203 4.496 1.00 0.00 C ATOM 977 CG ASN A 66 -16.172 -4.022 5.805 1.00 0.00 C ATOM 978 OD1 ASN A 66 -15.729 -4.488 6.854 1.00 0.00 O ATOM 979 ND2 ASN A 66 -17.311 -3.341 5.748 1.00 0.00 N ATOM 0 H ASN A 66 -12.813 -4.795 3.696 1.00 0.00 H new ATOM 0 HA ASN A 66 -14.951 -6.081 5.314 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.752 -3.362 4.348 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -16.144 -4.186 3.673 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.856 -3.187 6.596 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.641 -2.972 4.856 1.00 0.00 H new ATOM 986 N ARG A 67 -13.910 -7.014 2.805 1.00 0.00 N ATOM 987 CA ARG A 67 -13.919 -7.860 1.621 1.00 0.00 C ATOM 988 C ARG A 67 -15.325 -8.045 1.079 1.00 0.00 C ATOM 989 O ARG A 67 -16.131 -8.793 1.631 1.00 0.00 O ATOM 990 CB ARG A 67 -13.305 -9.211 1.958 1.00 0.00 C ATOM 991 CG ARG A 67 -13.588 -9.635 3.379 1.00 0.00 C ATOM 992 CD ARG A 67 -12.660 -10.753 3.826 1.00 0.00 C ATOM 993 NE ARG A 67 -13.231 -11.548 4.911 1.00 0.00 N ATOM 994 CZ ARG A 67 -12.826 -12.777 5.213 1.00 0.00 C ATOM 995 NH1 ARG A 67 -11.853 -13.347 4.514 1.00 0.00 N ATOM 996 NH2 ARG A 67 -13.391 -13.437 6.216 1.00 0.00 N ATOM 0 H ARG A 67 -13.031 -7.052 3.322 1.00 0.00 H new ATOM 0 HA ARG A 67 -13.329 -7.371 0.846 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -13.694 -9.964 1.273 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -12.227 -9.166 1.803 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -13.474 -8.779 4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -14.623 -9.966 3.461 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -12.443 -11.403 2.978 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.711 -10.326 4.152 1.00 0.00 H new ATOM 0 HE ARG A 67 -13.981 -11.137 5.467 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.415 -12.842 3.744 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.543 -14.290 4.747 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -14.138 -13.001 6.757 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.079 -14.380 6.446 1.00 0.00 H new ATOM 1010 N VAL A 68 -15.598 -7.357 -0.010 1.00 0.00 N ATOM 1011 CA VAL A 68 -16.897 -7.429 -0.659 1.00 0.00 C ATOM 1012 C VAL A 68 -16.811 -8.250 -1.926 1.00 0.00 C ATOM 1013 O VAL A 68 -17.376 -7.883 -2.956 1.00 0.00 O ATOM 1014 CB VAL A 68 -17.439 -6.029 -1.009 1.00 0.00 C ATOM 1015 CG1 VAL A 68 -17.297 -5.079 0.170 1.00 0.00 C ATOM 1016 CG2 VAL A 68 -16.725 -5.467 -2.233 1.00 0.00 C ATOM 0 H VAL A 68 -14.933 -6.735 -0.470 1.00 0.00 H new ATOM 0 HA VAL A 68 -17.580 -7.902 0.047 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.500 -6.128 -1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -17.687 -4.099 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -17.857 -5.468 1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.245 -4.989 0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -17.122 -4.478 -2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -15.657 -5.391 -2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -16.885 -6.130 -3.084 1.00 0.00 H new ATOM 1026 N THR A 69 -16.092 -9.358 -1.840 1.00 0.00 N ATOM 1027 CA THR A 69 -15.906 -10.243 -2.982 1.00 0.00 C ATOM 1028 C THR A 69 -16.888 -9.893 -4.087 1.00 0.00 C ATOM 1029 O THR A 69 -18.102 -9.937 -3.893 1.00 0.00 O ATOM 1030 CB THR A 69 -16.069 -11.705 -2.581 1.00 0.00 C ATOM 1031 OG1 THR A 69 -15.055 -12.094 -1.670 1.00 0.00 O ATOM 1032 CG2 THR A 69 -16.016 -12.643 -3.766 1.00 0.00 C ATOM 0 H THR A 69 -15.625 -9.668 -0.988 1.00 0.00 H new ATOM 0 HA THR A 69 -14.890 -10.104 -3.351 1.00 0.00 H new ATOM 0 HB THR A 69 -17.053 -11.779 -2.117 1.00 0.00 H new ATOM 0 HG1 THR A 69 -15.179 -13.035 -1.425 1.00 0.00 H new ATOM 0 HG21 THR A 69 -16.137 -13.670 -3.423 1.00 0.00 H new ATOM 0 HG22 THR A 69 -16.818 -12.396 -4.462 1.00 0.00 H new ATOM 0 HG23 THR A 69 -15.055 -12.540 -4.269 1.00 0.00 H new ATOM 1040 N VAL A 70 -16.352 -9.521 -5.236 1.00 0.00 N ATOM 1041 CA VAL A 70 -17.178 -9.134 -6.365 1.00 0.00 C ATOM 1042 C VAL A 70 -16.756 -9.845 -7.638 1.00 0.00 C ATOM 1043 O VAL A 70 -15.911 -10.739 -7.621 1.00 0.00 O ATOM 1044 CB VAL A 70 -17.131 -7.610 -6.607 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -18.539 -7.037 -6.664 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -16.305 -6.908 -5.535 1.00 0.00 C ATOM 0 H VAL A 70 -15.348 -9.479 -5.411 1.00 0.00 H new ATOM 0 HA VAL A 70 -18.197 -9.427 -6.112 1.00 0.00 H new ATOM 0 HB VAL A 70 -16.647 -7.435 -7.568 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -18.488 -5.962 -6.835 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -19.091 -7.508 -7.478 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -19.049 -7.230 -5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -16.290 -5.836 -5.731 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -16.748 -7.091 -4.556 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -15.286 -7.294 -5.550 1.00 0.00 H new ATOM 1056 N MET A 71 -17.362 -9.435 -8.738 1.00 0.00 N ATOM 1057 CA MET A 71 -17.074 -10.015 -10.038 1.00 0.00 C ATOM 1058 C MET A 71 -17.103 -11.530 -9.979 1.00 0.00 C ATOM 1059 O MET A 71 -18.029 -12.127 -9.431 1.00 0.00 O ATOM 1060 CB MET A 71 -15.716 -9.543 -10.544 1.00 0.00 C ATOM 1061 CG MET A 71 -15.727 -8.106 -10.990 1.00 0.00 C ATOM 1062 SD MET A 71 -14.940 -7.868 -12.593 1.00 0.00 S ATOM 1063 CE MET A 71 -16.306 -8.229 -13.693 1.00 0.00 C ATOM 0 H MET A 71 -18.064 -8.695 -8.756 1.00 0.00 H new ATOM 0 HA MET A 71 -17.848 -9.682 -10.730 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.976 -9.668 -9.754 1.00 0.00 H new ATOM 0 HB3 MET A 71 -15.404 -10.174 -11.376 1.00 0.00 H new ATOM 0 HG2 MET A 71 -16.757 -7.753 -11.040 1.00 0.00 H new ATOM 0 HG3 MET A 71 -15.217 -7.495 -10.245 1.00 0.00 H new ATOM 0 HE1 MET A 71 -15.978 -8.125 -14.727 1.00 0.00 H new ATOM 0 HE2 MET A 71 -16.651 -9.249 -13.523 1.00 0.00 H new ATOM 0 HE3 MET A 71 -17.122 -7.533 -13.500 1.00 0.00 H new ATOM 1073 N GLY A 72 -16.080 -12.145 -10.551 1.00 0.00 N ATOM 1074 CA GLY A 72 -15.997 -13.578 -10.563 1.00 0.00 C ATOM 1075 C GLY A 72 -15.355 -14.129 -9.306 1.00 0.00 C ATOM 1076 O GLY A 72 -14.694 -15.167 -9.340 1.00 0.00 O ATOM 0 H GLY A 72 -15.304 -11.667 -11.009 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.998 -13.996 -10.670 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.423 -13.899 -11.432 1.00 0.00 H new ATOM 1080 N GLY A 73 -15.549 -13.427 -8.194 1.00 0.00 N ATOM 1081 CA GLY A 73 -14.977 -13.858 -6.933 1.00 0.00 C ATOM 1082 C GLY A 73 -13.837 -12.965 -6.484 1.00 0.00 C ATOM 1083 O GLY A 73 -12.983 -13.384 -5.702 1.00 0.00 O ATOM 0 H GLY A 73 -16.093 -12.566 -8.145 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -15.753 -13.865 -6.168 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.617 -14.882 -7.031 1.00 0.00 H new ATOM 1087 N PHE A 74 -13.822 -11.731 -6.978 1.00 0.00 N ATOM 1088 CA PHE A 74 -12.778 -10.781 -6.619 1.00 0.00 C ATOM 1089 C PHE A 74 -12.763 -10.544 -5.117 1.00 0.00 C ATOM 1090 O PHE A 74 -13.574 -11.110 -4.386 1.00 0.00 O ATOM 1091 CB PHE A 74 -12.983 -9.457 -7.357 1.00 0.00 C ATOM 1092 CG PHE A 74 -12.530 -9.491 -8.788 1.00 0.00 C ATOM 1093 CD1 PHE A 74 -12.839 -10.570 -9.601 1.00 0.00 C ATOM 1094 CD2 PHE A 74 -11.793 -8.445 -9.320 1.00 0.00 C ATOM 1095 CE1 PHE A 74 -12.422 -10.604 -10.918 1.00 0.00 C ATOM 1096 CE2 PHE A 74 -11.373 -8.474 -10.635 1.00 0.00 C ATOM 1097 CZ PHE A 74 -11.687 -9.555 -11.436 1.00 0.00 C ATOM 0 H PHE A 74 -14.520 -11.367 -7.627 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.817 -11.203 -6.915 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -14.040 -9.193 -7.325 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -12.442 -8.670 -6.832 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -13.412 -11.393 -9.201 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -11.544 -7.597 -8.699 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.670 -11.450 -11.542 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -10.799 -7.652 -11.037 1.00 0.00 H new ATOM 0 HZ PHE A 74 -11.359 -9.580 -12.465 1.00 0.00 H new ATOM 1107 N LYS A 75 -11.835 -9.709 -4.659 1.00 0.00 N ATOM 1108 CA LYS A 75 -11.724 -9.409 -3.238 1.00 0.00 C ATOM 1109 C LYS A 75 -10.961 -8.107 -2.998 1.00 0.00 C ATOM 1110 O LYS A 75 -9.781 -7.992 -3.328 1.00 0.00 O ATOM 1111 CB LYS A 75 -11.025 -10.557 -2.508 1.00 0.00 C ATOM 1112 CG LYS A 75 -11.811 -11.858 -2.528 1.00 0.00 C ATOM 1113 CD LYS A 75 -11.027 -12.991 -1.887 1.00 0.00 C ATOM 1114 CE LYS A 75 -10.079 -13.642 -2.881 1.00 0.00 C ATOM 1115 NZ LYS A 75 -10.807 -14.250 -4.030 1.00 0.00 N ATOM 0 H LYS A 75 -11.153 -9.231 -5.248 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.734 -9.289 -2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.049 -10.725 -2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.849 -10.265 -1.473 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.755 -11.723 -2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.057 -12.120 -3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.460 -12.608 -1.038 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.718 -13.739 -1.498 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.374 -12.897 -3.251 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.494 -14.410 -2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.175 -14.905 -4.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.637 -14.770 -3.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.118 -13.500 -4.680 1.00 0.00 H new ATOM 1129 N VAL A 76 -11.648 -7.138 -2.403 1.00 0.00 N ATOM 1130 CA VAL A 76 -11.057 -5.837 -2.086 1.00 0.00 C ATOM 1131 C VAL A 76 -10.903 -5.704 -0.610 1.00 0.00 C ATOM 1132 O VAL A 76 -10.701 -4.607 -0.088 1.00 0.00 O ATOM 1133 CB VAL A 76 -11.978 -4.690 -2.547 1.00 0.00 C ATOM 1134 CG1 VAL A 76 -12.046 -4.653 -4.065 1.00 0.00 C ATOM 1135 CG2 VAL A 76 -13.353 -4.954 -1.945 1.00 0.00 C ATOM 0 H VAL A 76 -12.626 -7.228 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.095 -5.777 -2.595 1.00 0.00 H new ATOM 0 HB VAL A 76 -11.599 -3.723 -2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -12.699 -3.839 -4.380 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -11.047 -4.494 -4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.441 -5.599 -4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.040 -4.163 -2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.727 -5.914 -2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -13.277 -4.973 -0.858 1.00 0.00 H new ATOM 1145 N GLU A 77 -11.055 -6.823 0.056 1.00 0.00 N ATOM 1146 CA GLU A 77 -11.001 -6.833 1.507 1.00 0.00 C ATOM 1147 C GLU A 77 -11.489 -5.473 1.948 1.00 0.00 C ATOM 1148 O GLU A 77 -10.931 -4.843 2.842 1.00 0.00 O ATOM 1149 CB GLU A 77 -9.576 -7.092 2.005 1.00 0.00 C ATOM 1150 CG GLU A 77 -8.550 -7.230 0.892 1.00 0.00 C ATOM 1151 CD GLU A 77 -8.339 -8.670 0.463 1.00 0.00 C ATOM 1152 OE1 GLU A 77 -9.207 -9.514 0.767 1.00 0.00 O ATOM 1153 OE2 GLU A 77 -7.303 -8.953 -0.176 1.00 0.00 O ATOM 0 H GLU A 77 -11.216 -7.734 -0.374 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.618 -7.631 1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.277 -6.275 2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.571 -8.002 2.605 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.872 -6.643 0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.600 -6.812 1.226 1.00 0.00 H new ATOM 1160 N ASN A 78 -12.508 -5.011 1.212 1.00 0.00 N ATOM 1161 CA ASN A 78 -13.069 -3.687 1.385 1.00 0.00 C ATOM 1162 C ASN A 78 -12.359 -2.999 2.524 1.00 0.00 C ATOM 1163 O ASN A 78 -12.886 -2.845 3.625 1.00 0.00 O ATOM 1164 CB ASN A 78 -14.570 -3.686 1.597 1.00 0.00 C ATOM 1165 CG ASN A 78 -15.075 -2.277 1.433 1.00 0.00 C ATOM 1166 OD1 ASN A 78 -14.870 -1.659 0.390 1.00 0.00 O ATOM 1167 ND2 ASN A 78 -15.731 -1.751 2.446 1.00 0.00 N ATOM 0 H ASN A 78 -12.961 -5.557 0.479 1.00 0.00 H new ATOM 0 HA ASN A 78 -12.911 -3.139 0.456 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -15.054 -4.348 0.879 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.812 -4.062 2.591 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -15.881 -2.296 3.295 1.00 0.00 H new ATOM 1172 N HIS A 79 -11.121 -2.653 2.241 1.00 0.00 N ATOM 1173 CA HIS A 79 -10.240 -2.046 3.210 1.00 0.00 C ATOM 1174 C HIS A 79 -10.898 -1.001 4.068 1.00 0.00 C ATOM 1175 O HIS A 79 -11.395 0.021 3.603 1.00 0.00 O ATOM 1176 CB HIS A 79 -9.016 -1.470 2.524 1.00 0.00 C ATOM 1177 CG HIS A 79 -8.269 -2.522 1.801 1.00 0.00 C ATOM 1178 ND1 HIS A 79 -7.135 -2.309 1.064 1.00 0.00 N ATOM 1179 CD2 HIS A 79 -8.548 -3.835 1.706 1.00 0.00 C ATOM 1180 CE1 HIS A 79 -6.765 -3.484 0.537 1.00 0.00 C ATOM 1181 NE2 HIS A 79 -7.592 -4.449 0.900 1.00 0.00 N ATOM 0 H HIS A 79 -10.696 -2.787 1.323 1.00 0.00 H new ATOM 0 HA HIS A 79 -9.945 -2.847 3.887 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.319 -0.690 1.826 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -8.367 -1.001 3.264 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -6.658 -1.416 0.939 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -9.381 -4.334 2.179 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.904 -3.624 -0.100 1.00 0.00 H new ATOM 1189 N THR A 80 -10.841 -1.276 5.343 1.00 0.00 N ATOM 1190 CA THR A 80 -11.369 -0.378 6.350 1.00 0.00 C ATOM 1191 C THR A 80 -10.209 0.260 7.089 1.00 0.00 C ATOM 1192 O THR A 80 -10.349 1.306 7.724 1.00 0.00 O ATOM 1193 CB THR A 80 -12.271 -1.134 7.310 1.00 0.00 C ATOM 1194 OG1 THR A 80 -11.529 -1.663 8.395 1.00 0.00 O ATOM 1195 CG2 THR A 80 -12.987 -2.275 6.638 1.00 0.00 C ATOM 0 H THR A 80 -10.428 -2.129 5.720 1.00 0.00 H new ATOM 0 HA THR A 80 -11.967 0.400 5.876 1.00 0.00 H new ATOM 0 HB THR A 80 -13.004 -0.411 7.667 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.132 -2.144 9.000 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.620 -2.786 7.364 1.00 0.00 H new ATOM 0 HG22 THR A 80 -13.604 -1.890 5.826 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.256 -2.977 6.236 1.00 0.00 H new ATOM 1203 N ALA A 81 -9.051 -0.382 6.979 1.00 0.00 N ATOM 1204 CA ALA A 81 -7.837 0.109 7.611 1.00 0.00 C ATOM 1205 C ALA A 81 -6.614 -0.384 6.850 1.00 0.00 C ATOM 1206 O ALA A 81 -6.613 -1.497 6.330 1.00 0.00 O ATOM 1207 CB ALA A 81 -7.780 -0.328 9.066 1.00 0.00 C ATOM 0 H ALA A 81 -8.930 -1.248 6.454 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.844 1.199 7.585 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.865 0.048 9.523 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.643 0.071 9.600 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.791 -1.417 9.120 1.00 0.00 H new ATOM 1213 N CYS A 82 -5.580 0.447 6.777 1.00 0.00 N ATOM 1214 CA CYS A 82 -4.357 0.081 6.067 1.00 0.00 C ATOM 1215 C CYS A 82 -3.123 0.483 6.871 1.00 0.00 C ATOM 1216 O CYS A 82 -3.021 1.616 7.341 1.00 0.00 O ATOM 1217 CB CYS A 82 -4.320 0.748 4.688 1.00 0.00 C ATOM 1218 SG CYS A 82 -4.911 -0.315 3.327 1.00 0.00 S ATOM 0 H CYS A 82 -5.563 1.376 7.199 1.00 0.00 H new ATOM 0 HA CYS A 82 -4.352 -1.001 5.938 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -4.928 1.652 4.718 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -3.297 1.058 4.474 1.00 0.00 H new ATOM 1223 N HIS A 83 -2.187 -0.449 7.027 1.00 0.00 N ATOM 1224 CA HIS A 83 -0.962 -0.181 7.775 1.00 0.00 C ATOM 1225 C HIS A 83 0.272 -0.599 6.977 1.00 0.00 C ATOM 1226 O HIS A 83 0.497 -1.786 6.740 1.00 0.00 O ATOM 1227 CB HIS A 83 -0.988 -0.912 9.120 1.00 0.00 C ATOM 1228 CG HIS A 83 -1.229 -2.383 9.002 1.00 0.00 C ATOM 1229 ND1 HIS A 83 -1.338 -3.179 7.913 1.00 0.00 N flip ATOM 1230 CD2 HIS A 83 -1.387 -3.210 10.095 1.00 0.00 C flip ATOM 1231 CE1 HIS A 83 -1.555 -4.457 8.363 1.00 0.00 C flip ATOM 1232 NE2 HIS A 83 -1.579 -4.450 9.683 1.00 0.00 N flip ATOM 0 H HIS A 83 -2.253 -1.393 6.647 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.907 0.893 7.954 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.039 -0.748 9.630 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -1.766 -0.475 9.746 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -1.271 -2.884 6.939 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.358 -2.893 11.127 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -1.685 -5.328 7.738 1.00 0.00 H new ATOM 1241 N CYS A 84 1.070 0.384 6.565 1.00 0.00 N ATOM 1242 CA CYS A 84 2.282 0.116 5.796 1.00 0.00 C ATOM 1243 C CYS A 84 3.344 -0.546 6.670 1.00 0.00 C ATOM 1244 O CYS A 84 3.360 -0.365 7.888 1.00 0.00 O ATOM 1245 CB CYS A 84 2.833 1.416 5.200 1.00 0.00 C ATOM 1246 SG CYS A 84 3.822 2.407 6.366 1.00 0.00 S ATOM 0 H CYS A 84 0.899 1.372 6.751 1.00 0.00 H new ATOM 0 HA CYS A 84 2.025 -0.566 4.986 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.448 1.174 4.333 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.000 2.021 4.841 1.00 0.00 H new ATOM 1251 N SER A 85 4.228 -1.314 6.042 1.00 0.00 N ATOM 1252 CA SER A 85 5.293 -2.004 6.762 1.00 0.00 C ATOM 1253 C SER A 85 4.754 -3.230 7.492 1.00 0.00 C ATOM 1254 O SER A 85 4.838 -3.322 8.717 1.00 0.00 O ATOM 1255 CB SER A 85 5.967 -1.058 7.758 1.00 0.00 C ATOM 1256 OG SER A 85 7.274 -1.503 8.079 1.00 0.00 O ATOM 0 H SER A 85 4.228 -1.475 5.035 1.00 0.00 H new ATOM 0 HA SER A 85 6.031 -2.334 6.031 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.015 -0.054 7.336 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.368 -0.994 8.666 1.00 0.00 H new ATOM 0 HG SER A 85 7.684 -0.881 8.716 1.00 0.00 H new ATOM 1262 N THR A 86 4.202 -4.170 6.732 1.00 0.00 N ATOM 1263 CA THR A 86 3.652 -5.391 7.307 1.00 0.00 C ATOM 1264 C THR A 86 4.010 -6.602 6.456 1.00 0.00 C ATOM 1265 O THR A 86 3.502 -7.702 6.675 1.00 0.00 O ATOM 1266 CB THR A 86 2.133 -5.276 7.440 1.00 0.00 C ATOM 1267 OG1 THR A 86 1.536 -6.558 7.537 1.00 0.00 O ATOM 1268 CG2 THR A 86 1.489 -4.554 6.276 1.00 0.00 C ATOM 0 H THR A 86 4.124 -4.109 5.717 1.00 0.00 H new ATOM 0 HA THR A 86 4.087 -5.526 8.297 1.00 0.00 H new ATOM 0 HB THR A 86 1.964 -4.697 8.348 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.233 -7.234 7.669 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.411 -4.505 6.430 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.892 -3.544 6.207 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.700 -5.093 5.352 1.00 0.00 H new ATOM 1276 N CYS A 87 4.892 -6.391 5.487 1.00 0.00 N ATOM 1277 CA CYS A 87 5.327 -7.464 4.600 1.00 0.00 C ATOM 1278 C CYS A 87 6.372 -8.339 5.284 1.00 0.00 C ATOM 1279 O CYS A 87 7.563 -8.029 5.266 1.00 0.00 O ATOM 1280 CB CYS A 87 5.898 -6.890 3.300 1.00 0.00 C ATOM 1281 SG CYS A 87 4.634 -6.383 2.088 1.00 0.00 S ATOM 0 H CYS A 87 5.321 -5.486 5.295 1.00 0.00 H new ATOM 0 HA CYS A 87 4.458 -8.078 4.362 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.522 -6.029 3.539 1.00 0.00 H new ATOM 0 HB3 CYS A 87 6.547 -7.636 2.841 1.00 0.00 H new ATOM 1286 N TYR A 88 5.916 -9.430 5.891 1.00 0.00 N ATOM 1287 CA TYR A 88 6.809 -10.347 6.586 1.00 0.00 C ATOM 1288 C TYR A 88 7.414 -9.677 7.815 1.00 0.00 C ATOM 1289 O TYR A 88 7.529 -8.453 7.872 1.00 0.00 O ATOM 1290 CB TYR A 88 7.917 -10.827 5.645 1.00 0.00 C ATOM 1291 CG TYR A 88 7.505 -11.993 4.774 1.00 0.00 C ATOM 1292 CD1 TYR A 88 6.280 -11.993 4.117 1.00 0.00 C ATOM 1293 CD2 TYR A 88 8.337 -13.094 4.612 1.00 0.00 C ATOM 1294 CE1 TYR A 88 5.896 -13.057 3.323 1.00 0.00 C ATOM 1295 CE2 TYR A 88 7.959 -14.163 3.820 1.00 0.00 C ATOM 1296 CZ TYR A 88 6.738 -14.140 3.179 1.00 0.00 C ATOM 1297 OH TYR A 88 6.357 -15.203 2.392 1.00 0.00 O ATOM 0 H TYR A 88 4.933 -9.700 5.915 1.00 0.00 H new ATOM 0 HA TYR A 88 6.229 -11.210 6.913 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.226 -9.999 5.007 1.00 0.00 H new ATOM 0 HB3 TYR A 88 8.786 -11.115 6.237 1.00 0.00 H new ATOM 0 HD1 TYR A 88 5.617 -11.148 4.229 1.00 0.00 H new ATOM 0 HD2 TYR A 88 9.294 -13.115 5.112 1.00 0.00 H new ATOM 0 HE1 TYR A 88 4.942 -13.041 2.818 1.00 0.00 H new ATOM 0 HE2 TYR A 88 8.617 -15.012 3.704 1.00 0.00 H new ATOM 0 HH TYR A 88 7.063 -15.882 2.396 1.00 0.00 H new ATOM 1307 N TYR A 89 7.792 -10.484 8.800 1.00 0.00 N ATOM 1308 CA TYR A 89 8.377 -9.962 10.028 1.00 0.00 C ATOM 1309 C TYR A 89 9.809 -9.487 9.795 1.00 0.00 C ATOM 1310 O TYR A 89 10.698 -10.283 9.493 1.00 0.00 O ATOM 1311 CB TYR A 89 8.342 -11.027 11.125 1.00 0.00 C ATOM 1312 CG TYR A 89 7.003 -11.125 11.819 1.00 0.00 C ATOM 1313 CD1 TYR A 89 5.827 -11.223 11.086 1.00 0.00 C ATOM 1314 CD2 TYR A 89 6.913 -11.114 13.205 1.00 0.00 C ATOM 1315 CE1 TYR A 89 4.599 -11.306 11.715 1.00 0.00 C ATOM 1316 CE2 TYR A 89 5.689 -11.199 13.842 1.00 0.00 C ATOM 1317 CZ TYR A 89 4.535 -11.293 13.093 1.00 0.00 C ATOM 1318 OH TYR A 89 3.315 -11.375 13.723 1.00 0.00 O ATOM 0 H TYR A 89 7.704 -11.500 8.772 1.00 0.00 H new ATOM 0 HA TYR A 89 7.785 -9.105 10.349 1.00 0.00 H new ATOM 0 HB2 TYR A 89 8.590 -11.995 10.690 1.00 0.00 H new ATOM 0 HB3 TYR A 89 9.111 -10.803 11.864 1.00 0.00 H new ATOM 0 HD1 TYR A 89 5.873 -11.235 10.007 1.00 0.00 H new ATOM 0 HD2 TYR A 89 7.814 -11.038 13.795 1.00 0.00 H new ATOM 0 HE1 TYR A 89 3.694 -11.381 11.130 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.637 -11.192 14.921 1.00 0.00 H new ATOM 0 HH TYR A 89 3.446 -11.354 14.694 1.00 0.00 H new ATOM 1328 N HIS A 90 10.020 -8.181 9.934 1.00 0.00 N ATOM 1329 CA HIS A 90 11.339 -7.591 9.736 1.00 0.00 C ATOM 1330 C HIS A 90 11.927 -7.106 11.058 1.00 0.00 C ATOM 1331 O HIS A 90 13.114 -6.792 11.143 1.00 0.00 O ATOM 1332 CB HIS A 90 11.249 -6.425 8.749 1.00 0.00 C ATOM 1333 CG HIS A 90 12.551 -6.088 8.091 1.00 0.00 C ATOM 1334 ND1 HIS A 90 13.717 -5.633 8.609 1.00 0.00 N flip ATOM 1335 CD2 HIS A 90 12.759 -6.206 6.732 1.00 0.00 C flip ATOM 1336 CE1 HIS A 90 14.596 -5.487 7.565 1.00 0.00 C flip ATOM 1337 NE2 HIS A 90 13.995 -5.839 6.444 1.00 0.00 N flip ATOM 0 H HIS A 90 9.293 -7.511 10.183 1.00 0.00 H new ATOM 0 HA HIS A 90 11.997 -8.359 9.330 1.00 0.00 H new ATOM 0 HB2 HIS A 90 10.516 -6.668 7.980 1.00 0.00 H new ATOM 0 HB3 HIS A 90 10.879 -5.544 9.274 1.00 0.00 H new ATOM 0 HD1 HIS A 90 13.906 -5.436 9.592 1.00 0.00 H new ATOM 0 HD2 HIS A 90 12.026 -6.545 6.015 1.00 0.00 H new ATOM 0 HE1 HIS A 90 15.615 -5.140 7.648 1.00 0.00 H new ATOM 1346 N LYS A 91 11.088 -7.045 12.087 1.00 0.00 N ATOM 1347 CA LYS A 91 11.524 -6.596 13.404 1.00 0.00 C ATOM 1348 C LYS A 91 12.309 -7.690 14.121 1.00 0.00 C ATOM 1349 O LYS A 91 12.881 -7.458 15.186 1.00 0.00 O ATOM 1350 CB LYS A 91 10.317 -6.185 14.249 1.00 0.00 C ATOM 1351 CG LYS A 91 9.690 -7.341 15.012 1.00 0.00 C ATOM 1352 CD LYS A 91 8.594 -6.865 15.951 1.00 0.00 C ATOM 1353 CE LYS A 91 7.215 -7.237 15.432 1.00 0.00 C ATOM 1354 NZ LYS A 91 6.408 -7.950 16.459 1.00 0.00 N ATOM 0 H LYS A 91 10.102 -7.301 12.034 1.00 0.00 H new ATOM 0 HA LYS A 91 12.177 -5.734 13.268 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.624 -5.416 14.958 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.564 -5.737 13.600 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.277 -8.062 14.306 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.459 -7.860 15.584 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.743 -7.304 16.938 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.660 -5.783 16.070 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.689 -6.335 15.120 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.318 -7.868 14.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.475 -8.186 16.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.897 -8.824 16.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.288 -7.339 17.292 1.00 0.00 H new ATOM 1368 N SER A 92 12.329 -8.882 13.536 1.00 0.00 N ATOM 1369 CA SER A 92 13.040 -10.007 14.129 1.00 0.00 C ATOM 1370 C SER A 92 14.082 -10.566 13.165 1.00 0.00 C ATOM 1371 O SER A 92 14.799 -11.513 13.554 1.00 0.00 O ATOM 1372 CB SER A 92 12.052 -11.104 14.527 1.00 0.00 C ATOM 1373 OG SER A 92 10.945 -10.563 15.229 1.00 0.00 O ATOM 1374 OXT SER A 92 14.176 -10.050 12.032 1.00 0.00 O ATOM 0 H SER A 92 11.862 -9.094 12.654 1.00 0.00 H new ATOM 0 HA SER A 92 13.556 -9.650 15.020 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.702 -11.624 13.635 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.556 -11.843 15.150 1.00 0.00 H new ATOM 0 HG SER A 92 10.327 -11.284 15.471 1.00 0.00 H new TER 1380 SER A 92 HETATM 1381 C1 NAG A1052 16.399 2.402 -14.246 1.00 0.00 C HETATM 1382 C2 NAG A1052 16.664 2.395 -15.747 1.00 0.00 C HETATM 1383 C3 NAG A1052 15.833 3.464 -16.436 1.00 0.00 C HETATM 1384 C4 NAG A1052 14.371 3.318 -16.063 1.00 0.00 C HETATM 1385 C5 NAG A1052 14.202 3.277 -14.550 1.00 0.00 C HETATM 1386 C6 NAG A1052 12.770 3.008 -14.136 1.00 0.00 C HETATM 1387 C7 NAG A1052 18.573 2.583 -17.213 1.00 0.00 C HETATM 1388 C8 NAG A1052 20.052 2.891 -17.383 1.00 0.00 C HETATM 1389 N2 NAG A1052 18.072 2.654 -15.983 1.00 0.00 N HETATM 1390 O3 NAG A1052 15.970 3.334 -17.843 1.00 0.00 O HETATM 1391 O4 NAG A1052 13.649 4.426 -16.582 1.00 0.00 O HETATM 1392 O5 NAG A1052 15.003 2.230 -13.970 1.00 0.00 O HETATM 1393 O6 NAG A1052 12.300 1.780 -14.673 1.00 0.00 O HETATM 1394 O7 NAG A1052 17.900 2.267 -18.194 1.00 0.00 O HETATM 0 HO6 NAG A1052 11.374 1.631 -14.388 1.00 0.00 H new HETATM 0 HO4 NAG A1052 12.697 4.200 -16.636 1.00 0.00 H new HETATM 0 HO3 NAG A1052 16.479 2.522 -18.048 1.00 0.00 H new HETATM 0 HN2 NAG A1052 18.682 2.892 -15.201 1.00 0.00 H new HETATM 0 H83 NAG A1052 20.253 3.908 -17.047 1.00 0.00 H new HETATM 0 H82 NAG A1052 20.640 2.190 -16.790 1.00 0.00 H new HETATM 0 H81 NAG A1052 20.325 2.795 -18.434 1.00 0.00 H new HETATM 0 H62 NAG A1052 12.702 2.981 -13.048 1.00 0.00 H new HETATM 0 H61 NAG A1052 12.132 3.824 -14.475 1.00 0.00 H new HETATM 0 H5 NAG A1052 14.513 4.259 -14.195 1.00 0.00 H new HETATM 0 H4 NAG A1052 13.992 2.386 -16.482 1.00 0.00 H new HETATM 0 H3 NAG A1052 16.186 4.444 -16.115 1.00 0.00 H new HETATM 0 H2 NAG A1052 16.390 1.421 -16.152 1.00 0.00 H new HETATM 1404 C1 NAG A1078 -16.103 -0.364 2.392 1.00 0.00 C HETATM 1405 C2 NAG A1078 -17.625 -0.230 2.398 1.00 0.00 C HETATM 1406 C3 NAG A1078 -18.025 1.231 2.465 1.00 0.00 C HETATM 1407 C4 NAG A1078 -17.345 1.915 3.631 1.00 0.00 C HETATM 1408 C5 NAG A1078 -15.842 1.703 3.574 1.00 0.00 C HETATM 1409 C6 NAG A1078 -15.139 2.266 4.791 1.00 0.00 C HETATM 1410 C7 NAG A1078 -19.072 -1.784 1.249 1.00 0.00 C HETATM 1411 C8 NAG A1078 -19.617 -2.316 -0.069 1.00 0.00 C HETATM 1412 N2 NAG A1078 -18.171 -0.808 1.184 1.00 0.00 N HETATM 1413 O3 NAG A1078 -19.432 1.322 2.629 1.00 0.00 O HETATM 1414 O4 NAG A1078 -17.620 3.308 3.576 1.00 0.00 O HETATM 1415 O5 NAG A1078 -15.524 0.306 3.523 1.00 0.00 O HETATM 1416 O6 NAG A1078 -15.606 1.654 5.985 1.00 0.00 O HETATM 1417 O7 NAG A1078 -19.470 -2.258 2.313 1.00 0.00 O HETATM 0 HO6 NAG A1078 -15.878 0.732 5.795 1.00 0.00 H new HETATM 0 HO4 NAG A1078 -17.473 3.706 4.459 1.00 0.00 H new HETATM 0 HO3 NAG A1078 -19.696 2.265 2.675 1.00 0.00 H new HETATM 0 HN2 NAG A1078 -17.862 -0.463 0.275 1.00 0.00 H new HETATM 0 H83 NAG A1078 -20.103 -1.507 -0.615 1.00 0.00 H new HETATM 0 H82 NAG A1078 -18.798 -2.716 -0.667 1.00 0.00 H new HETATM 0 H81 NAG A1078 -20.341 -3.106 0.129 1.00 0.00 H new HETATM 0 H62 NAG A1078 -14.064 2.112 4.697 1.00 0.00 H new HETATM 0 H61 NAG A1078 -15.303 3.342 4.843 1.00 0.00 H new HETATM 0 H5 NAG A1078 -15.504 2.219 2.676 1.00 0.00 H new HETATM 0 H4 NAG A1078 -17.725 1.489 4.559 1.00 0.00 H new HETATM 0 H3 NAG A1078 -17.720 1.722 1.541 1.00 0.00 H new HETATM 0 H2 NAG A1078 -18.015 -0.753 3.271 1.00 0.00 H new