USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 SER OG : rot -74:sc= 0.863 USER MOD Set 1.2: A 79 SER OG : rot -170:sc= 0.735 USER MOD Set 2.1: A 71 SER OG : rot -130:sc= 0.319 USER MOD Set 2.2: A 74 LYS NZ :NH3+ 179:sc= 0.583 (180deg=0) USER MOD Set 3.1: A 45 SER OG : rot 85:sc= 2.17 USER MOD Set 3.2: A 58 THR OG1 : rot 78:sc= 1.52 USER MOD Set 4.1: A 42 HIS : no HD1:sc= 0.0563 K(o=-0.44,f=-9!) USER MOD Set 4.2: A 46 HIS : no HD1:sc= -1.11 K(o=-0.44,f=-12!) USER MOD Set 4.3: A 56 HIS : no HD1:sc= 0.621 K(o=-0.44,f=-9.8!) USER MOD Single : A 1 ALA N :NH3+ 169:sc= 0 (180deg=-0.1) USER MOD Single : A 4 THR OG1 : rot -77:sc= 0.614 USER MOD Single : A 12 GLN : amide:sc= 2.71 K(o=2.7,f=-11!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 16:sc= 0.776 USER MOD Single : A 22 SER OG : rot 59:sc= 0.446 USER MOD Single : A 26 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0628) USER MOD Single : A 27 SER OG : rot -27:sc= 0.209 USER MOD Single : A 32 THR OG1 : rot 70:sc= 0.502 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= -0.0112 (180deg=-0.161) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.622 K(o=0.62,f=-3.6!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -4.01 K(o=-4,f=-6.1!) USER MOD Single : A 64 ASN : amide:sc= 1.03 K(o=1,f=-2.9!) USER MOD Single : A 69 GLN : amide:sc= -0.966 K(o=-0.97,f=-2.3!) USER MOD Single : A 70 THR OG1 : rot -27:sc= 1.04 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 178:sc= -0.03 (180deg=-0.0441) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 16.714 -1.911 -10.555 1.00 0.00 N ATOM 2 CA ALA A 1 16.445 -1.983 -9.126 1.00 0.00 C ATOM 3 C ALA A 1 17.133 -0.826 -8.390 1.00 0.00 C ATOM 4 O ALA A 1 17.672 -1.000 -7.299 1.00 0.00 O ATOM 5 CB ALA A 1 16.898 -3.350 -8.598 1.00 0.00 C ATOM 0 H1 ALA A 1 16.403 -2.792 -11.012 1.00 0.00 H new ATOM 0 H2 ALA A 1 16.197 -1.107 -10.966 1.00 0.00 H new ATOM 0 H3 ALA A 1 17.734 -1.782 -10.710 1.00 0.00 H new ATOM 0 HA ALA A 1 15.375 -1.882 -8.944 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.699 -3.411 -7.528 1.00 0.00 H new ATOM 0 HB2 ALA A 1 16.351 -4.139 -9.114 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.966 -3.473 -8.776 1.00 0.00 H new ATOM 12 N VAL A 2 17.119 0.365 -8.995 1.00 0.00 N ATOM 13 CA VAL A 2 17.715 1.556 -8.408 1.00 0.00 C ATOM 14 C VAL A 2 17.005 1.894 -7.093 1.00 0.00 C ATOM 15 O VAL A 2 15.783 1.765 -6.998 1.00 0.00 O ATOM 16 CB VAL A 2 17.682 2.716 -9.422 1.00 0.00 C ATOM 17 CG1 VAL A 2 16.257 3.147 -9.801 1.00 0.00 C ATOM 18 CG2 VAL A 2 18.460 3.931 -8.900 1.00 0.00 C ATOM 0 H VAL A 2 16.692 0.525 -9.907 1.00 0.00 H new ATOM 0 HA VAL A 2 18.763 1.374 -8.170 1.00 0.00 H new ATOM 0 HB VAL A 2 18.161 2.333 -10.323 1.00 0.00 H new ATOM 0 HG11 VAL A 2 16.303 3.967 -10.518 1.00 0.00 H new ATOM 0 HG12 VAL A 2 15.729 2.305 -10.247 1.00 0.00 H new ATOM 0 HG13 VAL A 2 15.727 3.476 -8.907 1.00 0.00 H new ATOM 0 HG21 VAL A 2 18.419 4.733 -9.637 1.00 0.00 H new ATOM 0 HG22 VAL A 2 18.016 4.273 -7.965 1.00 0.00 H new ATOM 0 HG23 VAL A 2 19.499 3.651 -8.726 1.00 0.00 H new ATOM 28 N ILE A 3 17.768 2.317 -6.079 1.00 0.00 N ATOM 29 CA ILE A 3 17.231 2.703 -4.782 1.00 0.00 C ATOM 30 C ILE A 3 16.413 3.981 -4.989 1.00 0.00 C ATOM 31 O ILE A 3 16.983 5.065 -5.086 1.00 0.00 O ATOM 32 CB ILE A 3 18.366 2.879 -3.754 1.00 0.00 C ATOM 33 CG1 ILE A 3 19.315 1.665 -3.690 1.00 0.00 C ATOM 34 CG2 ILE A 3 17.777 3.173 -2.366 1.00 0.00 C ATOM 35 CD1 ILE A 3 18.620 0.325 -3.430 1.00 0.00 C ATOM 0 H ILE A 3 18.783 2.399 -6.142 1.00 0.00 H new ATOM 0 HA ILE A 3 16.583 1.927 -4.374 1.00 0.00 H new ATOM 0 HB ILE A 3 18.967 3.725 -4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.863 1.599 -4.630 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.050 1.836 -2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.586 3.296 -1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.186 4.088 -2.408 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.140 2.344 -2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 3 19.364 -0.471 -3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 3 18.096 0.366 -2.475 1.00 0.00 H new ATOM 0 HD13 ILE A 3 17.905 0.125 -4.228 1.00 0.00 H new ATOM 47 N THR A 4 15.096 3.813 -5.122 1.00 0.00 N ATOM 48 CA THR A 4 14.017 4.764 -5.411 1.00 0.00 C ATOM 49 C THR A 4 12.922 3.956 -6.107 1.00 0.00 C ATOM 50 O THR A 4 11.744 4.116 -5.806 1.00 0.00 O ATOM 51 CB THR A 4 14.408 5.983 -6.276 1.00 0.00 C ATOM 52 OG1 THR A 4 15.457 5.703 -7.179 1.00 0.00 O ATOM 53 CG2 THR A 4 14.750 7.209 -5.421 1.00 0.00 C ATOM 0 H THR A 4 14.707 2.876 -5.015 1.00 0.00 H new ATOM 0 HA THR A 4 13.703 5.211 -4.468 1.00 0.00 H new ATOM 0 HB THR A 4 13.524 6.216 -6.869 1.00 0.00 H new ATOM 0 HG1 THR A 4 16.310 5.695 -6.697 1.00 0.00 H new ATOM 0 HG21 THR A 4 15.019 8.042 -6.071 1.00 0.00 H new ATOM 0 HG22 THR A 4 13.885 7.484 -4.817 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.589 6.974 -4.767 1.00 0.00 H new ATOM 61 N GLY A 5 13.310 3.086 -7.045 1.00 0.00 N ATOM 62 CA GLY A 5 12.398 2.129 -7.648 1.00 0.00 C ATOM 63 C GLY A 5 12.287 1.009 -6.621 1.00 0.00 C ATOM 64 O GLY A 5 11.224 0.769 -6.045 1.00 0.00 O ATOM 0 H GLY A 5 14.264 3.031 -7.402 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.426 2.580 -7.850 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.782 1.759 -8.599 1.00 0.00 H new ATOM 68 N ALA A 6 13.428 0.360 -6.367 1.00 0.00 N ATOM 69 CA ALA A 6 13.582 -0.588 -5.281 1.00 0.00 C ATOM 70 C ALA A 6 13.659 0.252 -4.010 1.00 0.00 C ATOM 71 O ALA A 6 14.150 1.383 -4.056 1.00 0.00 O ATOM 72 CB ALA A 6 14.853 -1.416 -5.475 1.00 0.00 C ATOM 0 H ALA A 6 14.275 0.486 -6.921 1.00 0.00 H new ATOM 0 HA ALA A 6 12.754 -1.296 -5.235 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.956 -2.123 -4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.792 -1.961 -6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.719 -0.754 -5.495 1.00 0.00 H new ATOM 78 N CYS A 7 13.140 -0.259 -2.897 1.00 0.00 N ATOM 79 CA CYS A 7 13.095 0.489 -1.648 1.00 0.00 C ATOM 80 C CYS A 7 13.386 -0.384 -0.437 1.00 0.00 C ATOM 81 O CYS A 7 13.392 -1.608 -0.520 1.00 0.00 O ATOM 82 CB CYS A 7 11.706 1.110 -1.501 1.00 0.00 C ATOM 83 SG CYS A 7 10.402 -0.103 -1.189 1.00 0.00 S ATOM 0 H CYS A 7 12.742 -1.196 -2.837 1.00 0.00 H new ATOM 0 HA CYS A 7 13.868 1.256 -1.687 1.00 0.00 H new ATOM 0 HB2 CYS A 7 11.724 1.831 -0.683 1.00 0.00 H new ATOM 0 HB3 CYS A 7 11.466 1.664 -2.409 1.00 0.00 H new ATOM 88 N GLU A 8 13.623 0.285 0.691 1.00 0.00 N ATOM 89 CA GLU A 8 13.772 -0.292 2.013 1.00 0.00 C ATOM 90 C GLU A 8 12.669 0.304 2.897 1.00 0.00 C ATOM 91 O GLU A 8 12.019 -0.447 3.617 1.00 0.00 O ATOM 92 CB GLU A 8 15.182 -0.084 2.586 1.00 0.00 C ATOM 93 CG GLU A 8 16.268 -0.793 1.759 1.00 0.00 C ATOM 94 CD GLU A 8 16.676 -0.018 0.508 1.00 0.00 C ATOM 95 OE1 GLU A 8 17.292 1.056 0.685 1.00 0.00 O ATOM 96 OE2 GLU A 8 16.379 -0.509 -0.601 1.00 0.00 O ATOM 0 H GLU A 8 13.720 1.300 0.700 1.00 0.00 H new ATOM 0 HA GLU A 8 13.659 -1.375 1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.400 0.983 2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.212 -0.454 3.611 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.147 -0.949 2.384 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.906 -1.779 1.466 1.00 0.00 H new ATOM 103 N ARG A 9 12.418 1.620 2.827 1.00 0.00 N ATOM 104 CA ARG A 9 11.320 2.251 3.557 1.00 0.00 C ATOM 105 C ARG A 9 10.754 3.469 2.818 1.00 0.00 C ATOM 106 O ARG A 9 11.425 4.050 1.962 1.00 0.00 O ATOM 107 CB ARG A 9 11.715 2.598 4.996 1.00 0.00 C ATOM 108 CG ARG A 9 12.901 3.568 5.143 1.00 0.00 C ATOM 109 CD ARG A 9 14.286 2.901 5.096 1.00 0.00 C ATOM 110 NE ARG A 9 14.350 1.653 5.874 1.00 0.00 N ATOM 111 CZ ARG A 9 14.112 1.532 7.188 1.00 0.00 C ATOM 112 NH1 ARG A 9 13.944 2.615 7.953 1.00 0.00 N ATOM 113 NH2 ARG A 9 14.015 0.314 7.726 1.00 0.00 N ATOM 0 H ARG A 9 12.969 2.269 2.265 1.00 0.00 H new ATOM 0 HA ARG A 9 10.519 1.513 3.610 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.850 3.032 5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.957 1.674 5.521 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.844 4.313 4.349 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.802 4.102 6.088 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.546 2.690 4.059 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.032 3.599 5.476 1.00 0.00 H new ATOM 0 HE ARG A 9 14.598 0.803 5.367 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.996 3.545 7.538 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.763 2.511 8.951 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.122 -0.513 7.139 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.834 0.210 8.724 1.00 0.00 H new ATOM 127 N ASP A 10 9.525 3.859 3.191 1.00 0.00 N ATOM 128 CA ASP A 10 8.740 4.950 2.610 1.00 0.00 C ATOM 129 C ASP A 10 9.552 6.215 2.344 1.00 0.00 C ATOM 130 O ASP A 10 9.303 6.906 1.362 1.00 0.00 O ATOM 131 CB ASP A 10 7.593 5.340 3.552 1.00 0.00 C ATOM 132 CG ASP A 10 6.364 4.452 3.502 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.365 3.385 2.850 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.388 4.841 4.178 1.00 0.00 O ATOM 0 H ASP A 10 9.028 3.392 3.950 1.00 0.00 H new ATOM 0 HA ASP A 10 8.375 4.565 1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.973 5.344 4.574 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.290 6.361 3.320 1.00 0.00 H new ATOM 139 N LEU A 11 10.489 6.544 3.236 1.00 0.00 N ATOM 140 CA LEU A 11 11.331 7.731 3.126 1.00 0.00 C ATOM 141 C LEU A 11 11.987 7.860 1.745 1.00 0.00 C ATOM 142 O LEU A 11 12.259 8.968 1.291 1.00 0.00 O ATOM 143 CB LEU A 11 12.413 7.708 4.218 1.00 0.00 C ATOM 144 CG LEU A 11 11.872 7.654 5.658 1.00 0.00 C ATOM 145 CD1 LEU A 11 13.056 7.570 6.628 1.00 0.00 C ATOM 146 CD2 LEU A 11 11.027 8.888 5.997 1.00 0.00 C ATOM 0 H LEU A 11 10.685 5.984 4.066 1.00 0.00 H new ATOM 0 HA LEU A 11 10.685 8.599 3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.057 6.844 4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.036 8.596 4.112 1.00 0.00 H new ATOM 0 HG LEU A 11 11.232 6.777 5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.685 7.531 7.652 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.636 6.671 6.418 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.690 8.448 6.505 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.664 8.810 7.022 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.637 9.786 5.895 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.178 8.946 5.315 1.00 0.00 H new ATOM 158 N GLN A 12 12.263 6.732 1.085 1.00 0.00 N ATOM 159 CA GLN A 12 12.912 6.680 -0.216 1.00 0.00 C ATOM 160 C GLN A 12 11.923 6.815 -1.381 1.00 0.00 C ATOM 161 O GLN A 12 12.341 6.796 -2.537 1.00 0.00 O ATOM 162 CB GLN A 12 13.652 5.345 -0.302 1.00 0.00 C ATOM 163 CG GLN A 12 14.538 5.147 0.934 1.00 0.00 C ATOM 164 CD GLN A 12 15.165 3.775 0.923 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.494 2.803 1.254 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.437 3.678 0.569 1.00 0.00 N ATOM 0 H GLN A 12 12.033 5.810 1.455 1.00 0.00 H new ATOM 0 HA GLN A 12 13.596 7.524 -0.305 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.935 4.528 -0.378 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.263 5.318 -1.204 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.317 5.909 0.955 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.943 5.274 1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.957 4.514 0.301 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.897 2.768 0.564 1.00 0.00 H new ATOM 175 N CYS A 13 10.625 6.916 -1.086 1.00 0.00 N ATOM 176 CA CYS A 13 9.544 7.011 -2.054 1.00 0.00 C ATOM 177 C CYS A 13 8.986 8.435 -2.057 1.00 0.00 C ATOM 178 O CYS A 13 9.357 9.260 -1.224 1.00 0.00 O ATOM 179 CB CYS A 13 8.451 5.993 -1.695 1.00 0.00 C ATOM 180 SG CYS A 13 8.972 4.270 -1.521 1.00 0.00 S ATOM 0 H CYS A 13 10.290 6.934 -0.123 1.00 0.00 H new ATOM 0 HA CYS A 13 9.915 6.785 -3.054 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.990 6.305 -0.758 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.678 6.039 -2.462 1.00 0.00 H new ATOM 185 N GLY A 14 8.101 8.739 -3.009 1.00 0.00 N ATOM 186 CA GLY A 14 7.454 10.039 -3.108 1.00 0.00 C ATOM 187 C GLY A 14 6.175 10.045 -2.272 1.00 0.00 C ATOM 188 O GLY A 14 5.679 8.987 -1.885 1.00 0.00 O ATOM 0 H GLY A 14 7.815 8.082 -3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.131 10.820 -2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.220 10.261 -4.149 1.00 0.00 H new ATOM 192 N LYS A 15 5.607 11.230 -2.028 1.00 0.00 N ATOM 193 CA LYS A 15 4.387 11.384 -1.240 1.00 0.00 C ATOM 194 C LYS A 15 3.263 10.474 -1.753 1.00 0.00 C ATOM 195 O LYS A 15 2.529 9.886 -0.965 1.00 0.00 O ATOM 196 CB LYS A 15 3.969 12.861 -1.243 1.00 0.00 C ATOM 197 CG LYS A 15 2.795 13.123 -0.288 1.00 0.00 C ATOM 198 CD LYS A 15 2.506 14.621 -0.114 1.00 0.00 C ATOM 199 CE LYS A 15 2.046 15.284 -1.419 1.00 0.00 C ATOM 200 NZ LYS A 15 1.646 16.684 -1.194 1.00 0.00 N ATOM 0 H LYS A 15 5.985 12.112 -2.375 1.00 0.00 H new ATOM 0 HA LYS A 15 4.586 11.075 -0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.818 13.480 -0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.689 13.157 -2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.903 12.625 -0.668 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.016 12.683 0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.738 14.754 0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.404 15.122 0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.852 15.247 -2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.208 14.726 -1.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.340 17.106 -2.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.862 16.716 -0.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.454 17.220 -0.817 1.00 0.00 H new ATOM 214 N GLY A 16 3.135 10.351 -3.078 1.00 0.00 N ATOM 215 CA GLY A 16 2.113 9.524 -3.706 1.00 0.00 C ATOM 216 C GLY A 16 2.512 8.050 -3.827 1.00 0.00 C ATOM 217 O GLY A 16 1.939 7.333 -4.648 1.00 0.00 O ATOM 0 H GLY A 16 3.743 10.827 -3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.192 9.597 -3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.898 9.917 -4.700 1.00 0.00 H new ATOM 221 N THR A 17 3.500 7.580 -3.063 1.00 0.00 N ATOM 222 CA THR A 17 3.913 6.185 -3.079 1.00 0.00 C ATOM 223 C THR A 17 4.256 5.734 -1.651 1.00 0.00 C ATOM 224 O THR A 17 4.387 6.572 -0.762 1.00 0.00 O ATOM 225 CB THR A 17 5.155 6.026 -3.991 1.00 0.00 C ATOM 226 OG1 THR A 17 6.040 7.109 -3.795 1.00 0.00 O ATOM 227 CG2 THR A 17 4.885 5.984 -5.497 1.00 0.00 C ATOM 0 H THR A 17 4.034 8.161 -2.417 1.00 0.00 H new ATOM 0 HA THR A 17 3.101 5.569 -3.464 1.00 0.00 H new ATOM 0 HB THR A 17 5.559 5.058 -3.696 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.811 7.572 -2.962 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.828 5.870 -6.033 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.233 5.141 -5.726 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.402 6.911 -5.806 1.00 0.00 H new ATOM 235 N CYS A 18 4.413 4.425 -1.432 1.00 0.00 N ATOM 236 CA CYS A 18 4.889 3.837 -0.186 1.00 0.00 C ATOM 237 C CYS A 18 5.817 2.665 -0.527 1.00 0.00 C ATOM 238 O CYS A 18 5.724 2.109 -1.624 1.00 0.00 O ATOM 239 CB CYS A 18 3.731 3.386 0.710 1.00 0.00 C ATOM 240 SG CYS A 18 3.333 1.625 0.601 1.00 0.00 S ATOM 0 H CYS A 18 4.204 3.726 -2.144 1.00 0.00 H new ATOM 0 HA CYS A 18 5.437 4.590 0.380 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.975 3.626 1.745 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.843 3.962 0.450 1.00 0.00 H new ATOM 245 N CYS A 19 6.698 2.272 0.395 1.00 0.00 N ATOM 246 CA CYS A 19 7.631 1.174 0.166 1.00 0.00 C ATOM 247 C CYS A 19 6.974 -0.169 0.473 1.00 0.00 C ATOM 248 O CYS A 19 7.072 -0.669 1.595 1.00 0.00 O ATOM 249 CB CYS A 19 8.890 1.363 1.010 1.00 0.00 C ATOM 250 SG CYS A 19 10.061 -0.005 0.854 1.00 0.00 S ATOM 0 H CYS A 19 6.783 2.705 1.315 1.00 0.00 H new ATOM 0 HA CYS A 19 7.915 1.178 -0.886 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.382 2.290 0.715 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.606 1.472 2.057 1.00 0.00 H new ATOM 255 N ALA A 20 6.285 -0.756 -0.508 1.00 0.00 N ATOM 256 CA ALA A 20 5.643 -2.053 -0.330 1.00 0.00 C ATOM 257 C ALA A 20 6.607 -3.164 -0.737 1.00 0.00 C ATOM 258 O ALA A 20 7.665 -2.916 -1.313 1.00 0.00 O ATOM 259 CB ALA A 20 4.333 -2.137 -1.117 1.00 0.00 C ATOM 0 H ALA A 20 6.159 -0.350 -1.435 1.00 0.00 H new ATOM 0 HA ALA A 20 5.391 -2.177 0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.879 -3.116 -0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.650 -1.362 -0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.536 -1.994 -2.178 1.00 0.00 H new ATOM 265 N VAL A 21 6.228 -4.397 -0.419 1.00 0.00 N ATOM 266 CA VAL A 21 6.982 -5.598 -0.735 1.00 0.00 C ATOM 267 C VAL A 21 6.860 -5.865 -2.249 1.00 0.00 C ATOM 268 O VAL A 21 6.173 -5.122 -2.948 1.00 0.00 O ATOM 269 CB VAL A 21 6.402 -6.734 0.144 1.00 0.00 C ATOM 270 CG1 VAL A 21 7.212 -8.032 0.064 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.360 -6.338 1.626 1.00 0.00 C ATOM 0 H VAL A 21 5.360 -4.591 0.081 1.00 0.00 H new ATOM 0 HA VAL A 21 8.047 -5.511 -0.520 1.00 0.00 H new ATOM 0 HB VAL A 21 5.400 -6.899 -0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.753 -8.787 0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.228 -8.388 -0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.232 -7.845 0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.947 -7.160 2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.370 -6.117 1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.733 -5.455 1.749 1.00 0.00 H new ATOM 281 N SER A 22 7.528 -6.894 -2.783 1.00 0.00 N ATOM 282 CA SER A 22 7.322 -7.377 -4.149 1.00 0.00 C ATOM 283 C SER A 22 6.427 -8.616 -4.077 1.00 0.00 C ATOM 284 O SER A 22 6.554 -9.434 -3.167 1.00 0.00 O ATOM 285 CB SER A 22 8.653 -7.729 -4.820 1.00 0.00 C ATOM 286 OG SER A 22 8.446 -8.499 -5.996 1.00 0.00 O ATOM 0 H SER A 22 8.236 -7.420 -2.270 1.00 0.00 H new ATOM 0 HA SER A 22 6.854 -6.595 -4.747 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.190 -6.814 -5.071 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.279 -8.286 -4.123 1.00 0.00 H new ATOM 0 HG SER A 22 7.889 -7.993 -6.624 1.00 0.00 H new ATOM 292 N LEU A 23 5.480 -8.750 -5.008 1.00 0.00 N ATOM 293 CA LEU A 23 4.605 -9.919 -5.091 1.00 0.00 C ATOM 294 C LEU A 23 5.326 -11.081 -5.773 1.00 0.00 C ATOM 295 O LEU A 23 4.781 -12.180 -5.836 1.00 0.00 O ATOM 296 CB LEU A 23 3.317 -9.551 -5.853 1.00 0.00 C ATOM 297 CG LEU A 23 2.318 -8.818 -4.936 1.00 0.00 C ATOM 298 CD1 LEU A 23 2.416 -7.301 -5.076 1.00 0.00 C ATOM 299 CD2 LEU A 23 0.866 -9.213 -5.186 1.00 0.00 C ATOM 0 H LEU A 23 5.299 -8.049 -5.726 1.00 0.00 H new ATOM 0 HA LEU A 23 4.338 -10.236 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.564 -8.919 -6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.855 -10.455 -6.250 1.00 0.00 H new ATOM 0 HG LEU A 23 2.602 -9.125 -3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.694 -6.827 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.422 -6.975 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.202 -7.016 -6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.217 -8.660 -4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.597 -8.979 -6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.745 -10.282 -5.014 1.00 0.00 H new ATOM 311 N TRP A 24 6.545 -10.850 -6.271 1.00 0.00 N ATOM 312 CA TRP A 24 7.275 -11.820 -7.068 1.00 0.00 C ATOM 313 C TRP A 24 8.300 -12.539 -6.195 1.00 0.00 C ATOM 314 O TRP A 24 8.372 -13.765 -6.223 1.00 0.00 O ATOM 315 CB TRP A 24 7.802 -11.085 -8.310 1.00 0.00 C ATOM 316 CG TRP A 24 6.807 -10.079 -8.841 1.00 0.00 C ATOM 317 CD1 TRP A 24 7.050 -8.758 -9.005 1.00 0.00 C ATOM 318 CD2 TRP A 24 5.360 -10.233 -9.026 1.00 0.00 C ATOM 319 NE1 TRP A 24 5.867 -8.083 -9.234 1.00 0.00 N ATOM 320 CE2 TRP A 24 4.789 -8.944 -9.230 1.00 0.00 C ATOM 321 CE3 TRP A 24 4.451 -11.310 -8.930 1.00 0.00 C ATOM 322 CZ2 TRP A 24 3.402 -8.744 -9.319 1.00 0.00 C ATOM 323 CZ3 TRP A 24 3.067 -11.132 -9.100 1.00 0.00 C ATOM 324 CH2 TRP A 24 2.538 -9.847 -9.289 1.00 0.00 C ATOM 0 H TRP A 24 7.050 -9.976 -6.127 1.00 0.00 H new ATOM 0 HA TRP A 24 6.657 -12.635 -7.445 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.733 -10.576 -8.061 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.033 -11.811 -9.089 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.026 -8.299 -8.963 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.799 -7.077 -9.387 1.00 0.00 H new ATOM 0 HE3 TRP A 24 4.830 -12.299 -8.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.003 -7.745 -9.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.409 -11.988 -9.085 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.474 -9.709 -9.410 1.00 0.00 H new ATOM 335 N ILE A 25 9.060 -11.798 -5.383 1.00 0.00 N ATOM 336 CA ILE A 25 9.962 -12.351 -4.402 1.00 0.00 C ATOM 337 C ILE A 25 9.956 -11.425 -3.191 1.00 0.00 C ATOM 338 O ILE A 25 10.299 -10.252 -3.317 1.00 0.00 O ATOM 339 CB ILE A 25 11.381 -12.512 -4.969 1.00 0.00 C ATOM 340 CG1 ILE A 25 11.917 -11.294 -5.747 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.489 -13.808 -5.779 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.291 -11.542 -6.376 1.00 0.00 C ATOM 0 H ILE A 25 9.056 -10.778 -5.400 1.00 0.00 H new ATOM 0 HA ILE A 25 9.630 -13.349 -4.115 1.00 0.00 H new ATOM 0 HB ILE A 25 12.040 -12.576 -4.103 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.207 -11.030 -6.531 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.981 -10.439 -5.074 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.500 -13.907 -6.174 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.266 -14.659 -5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.778 -13.781 -6.605 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.614 -10.648 -6.910 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.012 -11.778 -5.593 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.226 -12.377 -7.073 1.00 0.00 H new ATOM 354 N LYS A 26 9.624 -11.952 -2.008 1.00 0.00 N ATOM 355 CA LYS A 26 9.638 -11.188 -0.763 1.00 0.00 C ATOM 356 C LYS A 26 11.010 -10.530 -0.540 1.00 0.00 C ATOM 357 O LYS A 26 11.115 -9.531 0.166 1.00 0.00 O ATOM 358 CB LYS A 26 9.238 -12.110 0.399 1.00 0.00 C ATOM 359 CG LYS A 26 8.973 -11.329 1.692 1.00 0.00 C ATOM 360 CD LYS A 26 8.447 -12.267 2.786 1.00 0.00 C ATOM 361 CE LYS A 26 8.207 -11.526 4.107 1.00 0.00 C ATOM 362 NZ LYS A 26 7.154 -10.500 3.987 1.00 0.00 N ATOM 0 H LYS A 26 9.338 -12.924 -1.890 1.00 0.00 H new ATOM 0 HA LYS A 26 8.912 -10.377 -0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.344 -12.670 0.125 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.030 -12.838 0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.891 -10.847 2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.248 -10.537 1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.516 -12.727 2.453 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.162 -13.074 2.947 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.927 -12.243 4.878 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.135 -11.055 4.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.943 -10.108 4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.482 -9.738 3.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.294 -10.930 3.590 1.00 0.00 H new ATOM 376 N SER A 27 12.058 -11.087 -1.160 1.00 0.00 N ATOM 377 CA SER A 27 13.410 -10.555 -1.111 1.00 0.00 C ATOM 378 C SER A 27 13.502 -9.116 -1.634 1.00 0.00 C ATOM 379 O SER A 27 14.510 -8.465 -1.365 1.00 0.00 O ATOM 380 CB SER A 27 14.330 -11.442 -1.958 1.00 0.00 C ATOM 381 OG SER A 27 15.680 -11.061 -1.773 1.00 0.00 O ATOM 0 H SER A 27 11.980 -11.937 -1.719 1.00 0.00 H new ATOM 0 HA SER A 27 13.715 -10.548 -0.064 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.198 -12.487 -1.679 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.061 -11.357 -3.011 1.00 0.00 H new ATOM 0 HG SER A 27 15.721 -10.115 -1.521 1.00 0.00 H new ATOM 387 N VAL A 28 12.537 -8.655 -2.439 1.00 0.00 N ATOM 388 CA VAL A 28 12.544 -7.321 -3.024 1.00 0.00 C ATOM 389 C VAL A 28 11.335 -6.535 -2.512 1.00 0.00 C ATOM 390 O VAL A 28 10.288 -7.104 -2.200 1.00 0.00 O ATOM 391 CB VAL A 28 12.583 -7.439 -4.560 1.00 0.00 C ATOM 392 CG1 VAL A 28 12.497 -6.074 -5.257 1.00 0.00 C ATOM 393 CG2 VAL A 28 13.889 -8.112 -5.005 1.00 0.00 C ATOM 0 H VAL A 28 11.722 -9.209 -2.702 1.00 0.00 H new ATOM 0 HA VAL A 28 13.434 -6.768 -2.723 1.00 0.00 H new ATOM 0 HB VAL A 28 11.715 -8.034 -4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.529 -6.215 -6.337 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.563 -5.583 -4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.338 -5.454 -4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.906 -8.190 -6.092 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.738 -7.516 -4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.952 -9.109 -4.568 1.00 0.00 H new ATOM 403 N ARG A 29 11.499 -5.214 -2.422 1.00 0.00 N ATOM 404 CA ARG A 29 10.491 -4.260 -1.999 1.00 0.00 C ATOM 405 C ARG A 29 10.597 -3.078 -2.965 1.00 0.00 C ATOM 406 O ARG A 29 11.713 -2.737 -3.367 1.00 0.00 O ATOM 407 CB ARG A 29 10.760 -3.824 -0.555 1.00 0.00 C ATOM 408 CG ARG A 29 10.945 -4.986 0.437 1.00 0.00 C ATOM 409 CD ARG A 29 11.191 -4.448 1.851 1.00 0.00 C ATOM 410 NE ARG A 29 10.108 -3.536 2.240 1.00 0.00 N ATOM 411 CZ ARG A 29 8.972 -3.871 2.858 1.00 0.00 C ATOM 412 NH1 ARG A 29 8.861 -4.982 3.589 1.00 0.00 N ATOM 413 NH2 ARG A 29 7.906 -3.085 2.727 1.00 0.00 N ATOM 0 H ARG A 29 12.385 -4.766 -2.655 1.00 0.00 H new ATOM 0 HA ARG A 29 9.488 -4.686 -2.020 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.655 -3.201 -0.537 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.932 -3.202 -0.216 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.059 -5.621 0.432 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.785 -5.607 0.126 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.251 -5.276 2.558 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.147 -3.926 1.889 1.00 0.00 H new ATOM 0 HE ARG A 29 10.236 -2.549 2.016 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.660 -5.608 3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.977 -5.205 4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.963 -2.239 2.160 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.032 -3.329 3.193 1.00 0.00 H new ATOM 427 N VAL A 30 9.471 -2.479 -3.366 1.00 0.00 N ATOM 428 CA VAL A 30 9.442 -1.411 -4.361 1.00 0.00 C ATOM 429 C VAL A 30 8.502 -0.267 -3.966 1.00 0.00 C ATOM 430 O VAL A 30 7.473 -0.473 -3.311 1.00 0.00 O ATOM 431 CB VAL A 30 9.070 -1.975 -5.749 1.00 0.00 C ATOM 432 CG1 VAL A 30 10.124 -2.956 -6.273 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.706 -2.679 -5.758 1.00 0.00 C ATOM 0 H VAL A 30 8.550 -2.726 -3.005 1.00 0.00 H new ATOM 0 HA VAL A 30 10.446 -0.989 -4.409 1.00 0.00 H new ATOM 0 HB VAL A 30 9.022 -1.105 -6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.821 -3.327 -7.252 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.084 -2.447 -6.360 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.218 -3.793 -5.581 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.497 -3.055 -6.760 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.721 -3.511 -5.054 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.929 -1.972 -5.467 1.00 0.00 H new ATOM 443 N CYS A 31 8.864 0.952 -4.381 1.00 0.00 N ATOM 444 CA CYS A 31 8.047 2.137 -4.152 1.00 0.00 C ATOM 445 C CYS A 31 6.791 1.992 -5.005 1.00 0.00 C ATOM 446 O CYS A 31 6.812 2.221 -6.212 1.00 0.00 O ATOM 447 CB CYS A 31 8.805 3.426 -4.481 1.00 0.00 C ATOM 448 SG CYS A 31 10.050 3.918 -3.263 1.00 0.00 S ATOM 0 H CYS A 31 9.731 1.139 -4.884 1.00 0.00 H new ATOM 0 HA CYS A 31 7.784 2.212 -3.097 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.293 3.305 -5.448 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.084 4.236 -4.587 1.00 0.00 H new ATOM 453 N THR A 32 5.698 1.594 -4.363 1.00 0.00 N ATOM 454 CA THR A 32 4.417 1.293 -4.979 1.00 0.00 C ATOM 455 C THR A 32 3.508 2.513 -4.800 1.00 0.00 C ATOM 456 O THR A 32 3.595 3.171 -3.765 1.00 0.00 O ATOM 457 CB THR A 32 3.892 0.038 -4.267 1.00 0.00 C ATOM 458 OG1 THR A 32 4.856 -0.989 -4.396 1.00 0.00 O ATOM 459 CG2 THR A 32 2.556 -0.492 -4.793 1.00 0.00 C ATOM 0 H THR A 32 5.684 1.467 -3.351 1.00 0.00 H new ATOM 0 HA THR A 32 4.474 1.095 -6.049 1.00 0.00 H new ATOM 0 HB THR A 32 3.719 0.332 -3.232 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.645 -0.766 -3.859 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.269 -1.379 -4.228 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.790 0.275 -4.679 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.657 -0.750 -5.847 1.00 0.00 H new ATOM 467 N PRO A 33 2.676 2.879 -5.788 1.00 0.00 N ATOM 468 CA PRO A 33 1.805 4.042 -5.686 1.00 0.00 C ATOM 469 C PRO A 33 0.739 3.862 -4.609 1.00 0.00 C ATOM 470 O PRO A 33 0.387 2.735 -4.255 1.00 0.00 O ATOM 471 CB PRO A 33 1.182 4.213 -7.075 1.00 0.00 C ATOM 472 CG PRO A 33 1.214 2.799 -7.652 1.00 0.00 C ATOM 473 CD PRO A 33 2.510 2.228 -7.077 1.00 0.00 C ATOM 0 HA PRO A 33 2.364 4.929 -5.387 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.165 4.600 -7.015 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.752 4.911 -7.688 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.345 2.217 -7.345 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.224 2.807 -8.742 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.448 1.145 -6.966 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.356 2.433 -7.733 1.00 0.00 H new ATOM 481 N VAL A 34 0.232 4.979 -4.074 1.00 0.00 N ATOM 482 CA VAL A 34 -0.910 4.928 -3.166 1.00 0.00 C ATOM 483 C VAL A 34 -2.083 4.273 -3.911 1.00 0.00 C ATOM 484 O VAL A 34 -2.174 4.351 -5.137 1.00 0.00 O ATOM 485 CB VAL A 34 -1.315 6.326 -2.655 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.475 6.812 -1.469 1.00 0.00 C ATOM 487 CG2 VAL A 34 -1.268 7.381 -3.761 1.00 0.00 C ATOM 0 H VAL A 34 0.592 5.916 -4.254 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.634 4.345 -2.287 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.342 6.203 -2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.816 7.801 -1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.584 6.117 -0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.573 6.864 -1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.561 8.349 -3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.255 7.446 -4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.954 7.101 -4.560 1.00 0.00 H new ATOM 497 N GLY A 35 -2.984 3.620 -3.176 1.00 0.00 N ATOM 498 CA GLY A 35 -4.136 2.957 -3.768 1.00 0.00 C ATOM 499 C GLY A 35 -5.034 3.932 -4.532 1.00 0.00 C ATOM 500 O GLY A 35 -5.010 5.133 -4.279 1.00 0.00 O ATOM 0 H GLY A 35 -2.933 3.539 -2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.794 2.174 -4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.716 2.470 -2.984 1.00 0.00 H new ATOM 504 N THR A 36 -5.835 3.432 -5.470 1.00 0.00 N ATOM 505 CA THR A 36 -6.797 4.232 -6.218 1.00 0.00 C ATOM 506 C THR A 36 -8.071 3.400 -6.383 1.00 0.00 C ATOM 507 O THR A 36 -8.082 2.229 -6.004 1.00 0.00 O ATOM 508 CB THR A 36 -6.201 4.744 -7.538 1.00 0.00 C ATOM 509 OG1 THR A 36 -7.131 5.611 -8.156 1.00 0.00 O ATOM 510 CG2 THR A 36 -5.821 3.627 -8.514 1.00 0.00 C ATOM 0 H THR A 36 -5.833 2.447 -5.734 1.00 0.00 H new ATOM 0 HA THR A 36 -7.055 5.141 -5.674 1.00 0.00 H new ATOM 0 HB THR A 36 -5.277 5.265 -7.289 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.758 5.944 -8.999 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.407 4.063 -9.423 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.077 2.978 -8.052 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.708 3.044 -8.763 1.00 0.00 H new ATOM 518 N SER A 37 -9.127 3.999 -6.934 1.00 0.00 N ATOM 519 CA SER A 37 -10.443 3.401 -7.119 1.00 0.00 C ATOM 520 C SER A 37 -10.378 1.950 -7.613 1.00 0.00 C ATOM 521 O SER A 37 -10.087 1.715 -8.784 1.00 0.00 O ATOM 522 CB SER A 37 -11.233 4.274 -8.101 1.00 0.00 C ATOM 523 OG SER A 37 -11.228 5.625 -7.671 1.00 0.00 O ATOM 0 H SER A 37 -9.083 4.958 -7.278 1.00 0.00 H new ATOM 0 HA SER A 37 -10.942 3.362 -6.151 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.796 4.200 -9.097 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.259 3.913 -8.176 1.00 0.00 H new ATOM 0 HG SER A 37 -11.834 5.727 -6.907 1.00 0.00 H new ATOM 529 N GLY A 38 -10.661 0.988 -6.729 1.00 0.00 N ATOM 530 CA GLY A 38 -10.714 -0.431 -7.058 1.00 0.00 C ATOM 531 C GLY A 38 -9.488 -1.229 -6.612 1.00 0.00 C ATOM 532 O GLY A 38 -9.567 -2.454 -6.544 1.00 0.00 O ATOM 0 H GLY A 38 -10.863 1.182 -5.748 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.602 -0.865 -6.598 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.829 -0.537 -8.137 1.00 0.00 H new ATOM 536 N GLU A 39 -8.357 -0.584 -6.309 1.00 0.00 N ATOM 537 CA GLU A 39 -7.164 -1.310 -5.889 1.00 0.00 C ATOM 538 C GLU A 39 -7.396 -1.992 -4.540 1.00 0.00 C ATOM 539 O GLU A 39 -8.023 -1.411 -3.656 1.00 0.00 O ATOM 540 CB GLU A 39 -5.965 -0.360 -5.776 1.00 0.00 C ATOM 541 CG GLU A 39 -5.583 0.287 -7.115 1.00 0.00 C ATOM 542 CD GLU A 39 -5.196 -0.735 -8.180 1.00 0.00 C ATOM 543 OE1 GLU A 39 -4.436 -1.664 -7.829 1.00 0.00 O ATOM 544 OE2 GLU A 39 -5.663 -0.565 -9.326 1.00 0.00 O ATOM 0 H GLU A 39 -8.247 0.429 -6.347 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.952 -2.068 -6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.196 0.423 -5.053 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.108 -0.910 -5.387 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.421 0.882 -7.477 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.750 0.972 -6.957 1.00 0.00 H new ATOM 551 N ASP A 40 -6.883 -3.215 -4.376 1.00 0.00 N ATOM 552 CA ASP A 40 -6.964 -3.936 -3.114 1.00 0.00 C ATOM 553 C ASP A 40 -6.125 -3.205 -2.065 1.00 0.00 C ATOM 554 O ASP A 40 -5.134 -2.559 -2.407 1.00 0.00 O ATOM 555 CB ASP A 40 -6.494 -5.383 -3.290 1.00 0.00 C ATOM 556 CG ASP A 40 -7.470 -6.188 -4.141 1.00 0.00 C ATOM 557 OD1 ASP A 40 -7.295 -6.164 -5.378 1.00 0.00 O ATOM 558 OD2 ASP A 40 -8.378 -6.803 -3.541 1.00 0.00 O ATOM 0 H ASP A 40 -6.402 -3.727 -5.116 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.000 -3.968 -2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.509 -5.392 -3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.388 -5.854 -2.313 1.00 0.00 H new ATOM 563 N CYS A 41 -6.509 -3.303 -0.791 1.00 0.00 N ATOM 564 CA CYS A 41 -5.829 -2.606 0.294 1.00 0.00 C ATOM 565 C CYS A 41 -5.975 -3.368 1.599 1.00 0.00 C ATOM 566 O CYS A 41 -6.937 -4.107 1.792 1.00 0.00 O ATOM 567 CB CYS A 41 -6.435 -1.211 0.474 1.00 0.00 C ATOM 568 SG CYS A 41 -8.206 -1.228 0.843 1.00 0.00 S ATOM 0 H CYS A 41 -7.301 -3.869 -0.486 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.772 -2.530 0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.910 -0.698 1.280 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.268 -0.632 -0.434 1.00 0.00 H new ATOM 573 N HIS A 42 -5.029 -3.153 2.512 1.00 0.00 N ATOM 574 CA HIS A 42 -5.057 -3.719 3.847 1.00 0.00 C ATOM 575 C HIS A 42 -5.598 -2.616 4.759 1.00 0.00 C ATOM 576 O HIS A 42 -5.121 -1.483 4.660 1.00 0.00 O ATOM 577 CB HIS A 42 -3.629 -4.108 4.249 1.00 0.00 C ATOM 578 CG HIS A 42 -3.551 -4.907 5.520 1.00 0.00 C ATOM 579 ND1 HIS A 42 -4.106 -4.460 6.718 1.00 0.00 N ATOM 580 CD2 HIS A 42 -2.987 -6.135 5.724 1.00 0.00 C ATOM 581 CE1 HIS A 42 -3.871 -5.446 7.590 1.00 0.00 C ATOM 582 NE2 HIS A 42 -3.205 -6.474 7.042 1.00 0.00 N ATOM 0 H HIS A 42 -4.211 -2.570 2.335 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.679 -4.612 3.912 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.179 -4.684 3.441 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.035 -3.202 4.364 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.466 -6.730 4.988 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.183 -5.418 8.623 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -2.917 -7.335 7.508 1.00 0.00 H new ATOM 590 N PRO A 43 -6.578 -2.884 5.635 1.00 0.00 N ATOM 591 CA PRO A 43 -7.119 -1.861 6.518 1.00 0.00 C ATOM 592 C PRO A 43 -6.022 -1.175 7.342 1.00 0.00 C ATOM 593 O PRO A 43 -6.168 -0.007 7.692 1.00 0.00 O ATOM 594 CB PRO A 43 -8.163 -2.566 7.389 1.00 0.00 C ATOM 595 CG PRO A 43 -7.773 -4.042 7.312 1.00 0.00 C ATOM 596 CD PRO A 43 -7.196 -4.171 5.904 1.00 0.00 C ATOM 0 HA PRO A 43 -7.578 -1.050 5.952 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.139 -2.200 8.415 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.173 -2.400 7.015 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.040 -4.306 8.074 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.634 -4.695 7.457 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.467 -4.979 5.848 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.976 -4.395 5.176 1.00 0.00 H new ATOM 604 N ALA A 44 -4.913 -1.872 7.622 1.00 0.00 N ATOM 605 CA ALA A 44 -3.788 -1.326 8.363 1.00 0.00 C ATOM 606 C ALA A 44 -2.654 -0.883 7.430 1.00 0.00 C ATOM 607 O ALA A 44 -1.492 -0.961 7.822 1.00 0.00 O ATOM 608 CB ALA A 44 -3.300 -2.368 9.376 1.00 0.00 C ATOM 0 H ALA A 44 -4.779 -2.841 7.333 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.118 -0.434 8.895 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.456 -1.964 9.935 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.108 -2.612 10.065 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.988 -3.270 8.849 1.00 0.00 H new ATOM 614 N SER A 45 -2.951 -0.411 6.211 1.00 0.00 N ATOM 615 CA SER A 45 -1.941 0.118 5.305 1.00 0.00 C ATOM 616 C SER A 45 -1.355 1.417 5.871 1.00 0.00 C ATOM 617 O SER A 45 -1.750 2.501 5.449 1.00 0.00 O ATOM 618 CB SER A 45 -2.560 0.391 3.933 1.00 0.00 C ATOM 619 OG SER A 45 -2.881 -0.810 3.265 1.00 0.00 O ATOM 0 H SER A 45 -3.898 -0.388 5.833 1.00 0.00 H new ATOM 0 HA SER A 45 -1.145 -0.619 5.200 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.460 0.995 4.052 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.864 0.971 3.327 1.00 0.00 H new ATOM 0 HG SER A 45 -3.763 -1.122 3.558 1.00 0.00 H new ATOM 625 N HIS A 46 -0.405 1.279 6.803 1.00 0.00 N ATOM 626 CA HIS A 46 0.324 2.310 7.552 1.00 0.00 C ATOM 627 C HIS A 46 0.258 3.664 6.853 1.00 0.00 C ATOM 628 O HIS A 46 0.831 3.829 5.773 1.00 0.00 O ATOM 629 CB HIS A 46 1.779 1.887 7.833 1.00 0.00 C ATOM 630 CG HIS A 46 1.968 0.397 7.786 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.486 -0.240 6.654 1.00 0.00 N ATOM 632 CD2 HIS A 46 1.369 -0.529 8.590 1.00 0.00 C ATOM 633 CE1 HIS A 46 2.197 -1.533 6.839 1.00 0.00 C ATOM 634 NE2 HIS A 46 1.471 -1.747 7.946 1.00 0.00 N ATOM 0 H HIS A 46 -0.096 0.347 7.080 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.172 2.419 8.516 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.437 2.356 7.102 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.078 2.256 8.814 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.904 -0.345 9.547 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.514 -2.319 6.170 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.072 -2.635 8.252 1.00 0.00 H new ATOM 642 N LYS A 47 -0.409 4.620 7.494 1.00 0.00 N ATOM 643 CA LYS A 47 -0.800 5.922 6.953 1.00 0.00 C ATOM 644 C LYS A 47 0.311 6.920 6.567 1.00 0.00 C ATOM 645 O LYS A 47 0.027 8.110 6.474 1.00 0.00 O ATOM 646 CB LYS A 47 -1.846 6.539 7.903 1.00 0.00 C ATOM 647 CG LYS A 47 -1.456 6.586 9.392 1.00 0.00 C ATOM 648 CD LYS A 47 -0.059 7.177 9.632 1.00 0.00 C ATOM 649 CE LYS A 47 0.231 7.410 11.120 1.00 0.00 C ATOM 650 NZ LYS A 47 -0.629 8.460 11.695 1.00 0.00 N ATOM 0 H LYS A 47 -0.709 4.501 8.462 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.214 5.711 5.967 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.056 7.555 7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.773 5.974 7.808 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.192 7.178 9.935 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.492 5.577 9.803 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.693 6.504 9.219 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.030 8.122 9.095 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.082 6.480 11.668 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.277 7.690 11.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.250 8.752 12.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.651 9.280 11.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.593 8.090 11.818 1.00 0.00 H new ATOM 664 N ILE A 48 1.531 6.446 6.286 1.00 0.00 N ATOM 665 CA ILE A 48 2.708 7.213 5.867 1.00 0.00 C ATOM 666 C ILE A 48 3.178 8.204 6.957 1.00 0.00 C ATOM 667 O ILE A 48 2.365 8.746 7.702 1.00 0.00 O ATOM 668 CB ILE A 48 2.425 7.875 4.492 1.00 0.00 C ATOM 669 CG1 ILE A 48 2.371 6.799 3.391 1.00 0.00 C ATOM 670 CG2 ILE A 48 3.411 8.985 4.087 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.946 7.337 2.020 1.00 0.00 C ATOM 0 H ILE A 48 1.734 5.449 6.350 1.00 0.00 H new ATOM 0 HA ILE A 48 3.554 6.538 5.737 1.00 0.00 H new ATOM 0 HB ILE A 48 1.460 8.369 4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.353 6.336 3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.676 6.016 3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.129 9.384 3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.384 9.784 4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.419 8.574 4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.932 6.521 1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.950 7.774 2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.654 8.099 1.693 1.00 0.00 H new ATOM 683 N PRO A 49 4.490 8.471 7.092 1.00 0.00 N ATOM 684 CA PRO A 49 5.612 7.788 6.466 1.00 0.00 C ATOM 685 C PRO A 49 5.998 6.583 7.328 1.00 0.00 C ATOM 686 O PRO A 49 6.203 6.719 8.532 1.00 0.00 O ATOM 687 CB PRO A 49 6.733 8.829 6.443 1.00 0.00 C ATOM 688 CG PRO A 49 6.487 9.644 7.715 1.00 0.00 C ATOM 689 CD PRO A 49 4.967 9.587 7.896 1.00 0.00 C ATOM 0 HA PRO A 49 5.393 7.417 5.465 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.717 8.360 6.450 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.684 9.453 5.550 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.008 9.216 8.571 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.839 10.670 7.607 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.708 9.446 8.945 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.504 10.520 7.575 1.00 0.00 H new ATOM 697 N PHE A 50 6.116 5.400 6.725 1.00 0.00 N ATOM 698 CA PHE A 50 6.481 4.193 7.448 1.00 0.00 C ATOM 699 C PHE A 50 7.973 3.937 7.253 1.00 0.00 C ATOM 700 O PHE A 50 8.388 3.261 6.311 1.00 0.00 O ATOM 701 CB PHE A 50 5.624 3.016 6.975 1.00 0.00 C ATOM 702 CG PHE A 50 5.655 1.840 7.932 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.892 1.881 9.113 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.513 0.752 7.697 1.00 0.00 C ATOM 705 CE1 PHE A 50 4.907 0.793 10.003 1.00 0.00 C ATOM 706 CE2 PHE A 50 6.544 -0.328 8.597 1.00 0.00 C ATOM 707 CZ PHE A 50 5.727 -0.317 9.739 1.00 0.00 C ATOM 0 H PHE A 50 5.961 5.257 5.727 1.00 0.00 H new ATOM 0 HA PHE A 50 6.291 4.314 8.514 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.594 3.350 6.851 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.973 2.690 5.995 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.293 2.751 9.337 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.149 0.745 6.824 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.289 0.810 10.889 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.197 -1.167 8.410 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.729 -1.161 10.413 1.00 0.00 H new ATOM 717 N SER A 51 8.789 4.492 8.153 1.00 0.00 N ATOM 718 CA SER A 51 10.240 4.367 8.150 1.00 0.00 C ATOM 719 C SER A 51 10.697 2.965 8.584 1.00 0.00 C ATOM 720 O SER A 51 11.568 2.837 9.446 1.00 0.00 O ATOM 721 CB SER A 51 10.805 5.444 9.083 1.00 0.00 C ATOM 722 OG SER A 51 10.160 6.679 8.834 1.00 0.00 O ATOM 0 H SER A 51 8.442 5.058 8.927 1.00 0.00 H new ATOM 0 HA SER A 51 10.615 4.507 7.136 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.660 5.150 10.123 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.879 5.546 8.928 1.00 0.00 H new ATOM 0 HG SER A 51 10.523 7.364 9.433 1.00 0.00 H new ATOM 728 N GLY A 52 10.133 1.915 7.985 1.00 0.00 N ATOM 729 CA GLY A 52 10.431 0.535 8.313 1.00 0.00 C ATOM 730 C GLY A 52 9.956 -0.380 7.192 1.00 0.00 C ATOM 731 O GLY A 52 9.445 0.085 6.174 1.00 0.00 O ATOM 0 H GLY A 52 9.441 2.011 7.242 1.00 0.00 H new ATOM 0 HA2 GLY A 52 11.503 0.412 8.465 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.943 0.261 9.249 1.00 0.00 H new ATOM 735 N GLN A 53 10.104 -1.690 7.394 1.00 0.00 N ATOM 736 CA GLN A 53 9.707 -2.688 6.417 1.00 0.00 C ATOM 737 C GLN A 53 8.198 -2.922 6.507 1.00 0.00 C ATOM 738 O GLN A 53 7.741 -3.619 7.411 1.00 0.00 O ATOM 739 CB GLN A 53 10.490 -3.995 6.656 1.00 0.00 C ATOM 740 CG GLN A 53 12.007 -3.811 6.833 1.00 0.00 C ATOM 741 CD GLN A 53 12.619 -2.844 5.827 1.00 0.00 C ATOM 742 OE1 GLN A 53 13.377 -1.954 6.202 1.00 0.00 O ATOM 743 NE2 GLN A 53 12.268 -2.980 4.555 1.00 0.00 N ATOM 0 H GLN A 53 10.505 -2.084 8.245 1.00 0.00 H new ATOM 0 HA GLN A 53 9.940 -2.333 5.413 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.091 -4.485 7.544 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.315 -4.667 5.816 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.207 -3.449 7.842 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.497 -4.780 6.739 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.636 -3.731 4.278 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.630 -2.334 3.854 1.00 0.00 H new ATOM 752 N ARG A 54 7.409 -2.324 5.608 1.00 0.00 N ATOM 753 CA ARG A 54 5.973 -2.576 5.582 1.00 0.00 C ATOM 754 C ARG A 54 5.761 -4.069 5.336 1.00 0.00 C ATOM 755 O ARG A 54 6.115 -4.570 4.271 1.00 0.00 O ATOM 756 CB ARG A 54 5.263 -1.784 4.477 1.00 0.00 C ATOM 757 CG ARG A 54 5.303 -0.272 4.686 1.00 0.00 C ATOM 758 CD ARG A 54 4.493 0.385 3.568 1.00 0.00 C ATOM 759 NE ARG A 54 4.313 1.822 3.801 1.00 0.00 N ATOM 760 CZ ARG A 54 3.175 2.387 4.232 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.164 1.651 4.697 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.036 3.708 4.221 1.00 0.00 N ATOM 0 H ARG A 54 7.740 -1.670 4.898 1.00 0.00 H new ATOM 0 HA ARG A 54 5.550 -2.258 6.535 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.723 -2.022 3.518 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.224 -2.107 4.421 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.888 -0.012 5.660 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.332 0.087 4.672 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.998 0.231 2.614 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.518 -0.097 3.494 1.00 0.00 H new ATOM 0 HE ARG A 54 5.109 2.435 3.623 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.246 0.635 4.731 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.309 2.104 5.019 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.797 4.298 3.884 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.169 4.132 4.550 1.00 0.00 H new ATOM 776 N MET A 55 5.216 -4.784 6.318 1.00 0.00 N ATOM 777 CA MET A 55 4.940 -6.204 6.179 1.00 0.00 C ATOM 778 C MET A 55 3.775 -6.402 5.206 1.00 0.00 C ATOM 779 O MET A 55 3.780 -7.320 4.389 1.00 0.00 O ATOM 780 CB MET A 55 4.622 -6.796 7.558 1.00 0.00 C ATOM 781 CG MET A 55 5.828 -6.695 8.501 1.00 0.00 C ATOM 782 SD MET A 55 5.548 -7.390 10.148 1.00 0.00 S ATOM 783 CE MET A 55 7.149 -7.032 10.903 1.00 0.00 C ATOM 0 H MET A 55 4.956 -4.395 7.224 1.00 0.00 H new ATOM 0 HA MET A 55 5.811 -6.721 5.777 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.772 -6.271 7.994 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.330 -7.840 7.449 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.675 -7.206 8.044 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.106 -5.646 8.605 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.156 -7.395 11.931 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.937 -7.529 10.338 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.322 -5.956 10.897 1.00 0.00 H new ATOM 793 N HIS A 56 2.768 -5.532 5.307 1.00 0.00 N ATOM 794 CA HIS A 56 1.574 -5.595 4.483 1.00 0.00 C ATOM 795 C HIS A 56 1.878 -5.188 3.042 1.00 0.00 C ATOM 796 O HIS A 56 2.450 -4.128 2.793 1.00 0.00 O ATOM 797 CB HIS A 56 0.471 -4.722 5.094 1.00 0.00 C ATOM 798 CG HIS A 56 0.152 -5.076 6.524 1.00 0.00 C ATOM 799 ND1 HIS A 56 -0.093 -4.095 7.485 1.00 0.00 N ATOM 800 CD2 HIS A 56 0.082 -6.307 7.123 1.00 0.00 C ATOM 801 CE1 HIS A 56 -0.353 -4.773 8.605 1.00 0.00 C ATOM 802 NE2 HIS A 56 -0.239 -6.100 8.449 1.00 0.00 N ATOM 0 H HIS A 56 2.765 -4.759 5.972 1.00 0.00 H new ATOM 0 HA HIS A 56 1.220 -6.626 4.456 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.776 -3.677 5.045 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.433 -4.818 4.493 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.247 -7.262 6.646 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.626 -4.303 9.538 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.364 -6.814 9.167 1.00 0.00 H new ATOM 810 N HIS A 57 1.437 -6.013 2.091 1.00 0.00 N ATOM 811 CA HIS A 57 1.634 -5.839 0.655 1.00 0.00 C ATOM 812 C HIS A 57 0.890 -4.665 0.009 1.00 0.00 C ATOM 813 O HIS A 57 0.708 -4.669 -1.207 1.00 0.00 O ATOM 814 CB HIS A 57 1.317 -7.167 -0.058 1.00 0.00 C ATOM 815 CG HIS A 57 2.432 -7.555 -0.977 1.00 0.00 C ATOM 816 ND1 HIS A 57 2.998 -6.609 -1.817 1.00 0.00 N ATOM 817 CD2 HIS A 57 3.084 -8.743 -1.143 1.00 0.00 C ATOM 818 CE1 HIS A 57 3.979 -7.255 -2.428 1.00 0.00 C ATOM 819 NE2 HIS A 57 4.127 -8.520 -2.011 1.00 0.00 N ATOM 0 H HIS A 57 0.910 -6.857 2.313 1.00 0.00 H new ATOM 0 HA HIS A 57 2.682 -5.566 0.529 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.158 -7.953 0.681 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.390 -7.069 -0.624 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.828 -9.684 -0.679 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.600 -6.806 -3.189 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.858 -9.178 -2.280 1.00 0.00 H new ATOM 827 N THR A 58 0.429 -3.668 0.771 1.00 0.00 N ATOM 828 CA THR A 58 -0.334 -2.569 0.199 1.00 0.00 C ATOM 829 C THR A 58 0.033 -1.234 0.834 1.00 0.00 C ATOM 830 O THR A 58 0.421 -1.167 2.000 1.00 0.00 O ATOM 831 CB THR A 58 -1.846 -2.855 0.291 1.00 0.00 C ATOM 832 OG1 THR A 58 -2.315 -2.874 1.628 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.199 -4.214 -0.331 1.00 0.00 C ATOM 0 H THR A 58 0.573 -3.605 1.779 1.00 0.00 H new ATOM 0 HA THR A 58 -0.073 -2.491 -0.856 1.00 0.00 H new ATOM 0 HB THR A 58 -2.325 -2.042 -0.255 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.407 -1.955 1.955 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.273 -4.384 -0.249 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.910 -4.219 -1.382 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.665 -5.005 0.196 1.00 0.00 H new ATOM 841 N CYS A 59 -0.129 -0.165 0.057 1.00 0.00 N ATOM 842 CA CYS A 59 0.063 1.200 0.441 1.00 0.00 C ATOM 843 C CYS A 59 -1.317 1.762 0.752 1.00 0.00 C ATOM 844 O CYS A 59 -2.320 1.196 0.313 1.00 0.00 O ATOM 845 CB CYS A 59 0.656 1.920 -0.770 1.00 0.00 C ATOM 846 SG CYS A 59 2.342 1.473 -1.215 1.00 0.00 S ATOM 0 H CYS A 59 -0.417 -0.253 -0.918 1.00 0.00 H new ATOM 0 HA CYS A 59 0.720 1.314 1.303 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.013 1.730 -1.630 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.625 2.993 -0.579 1.00 0.00 H new ATOM 851 N PRO A 60 -1.397 2.847 1.531 1.00 0.00 N ATOM 852 CA PRO A 60 -2.673 3.457 1.821 1.00 0.00 C ATOM 853 C PRO A 60 -3.279 3.958 0.515 1.00 0.00 C ATOM 854 O PRO A 60 -2.571 4.221 -0.459 1.00 0.00 O ATOM 855 CB PRO A 60 -2.412 4.598 2.803 1.00 0.00 C ATOM 856 CG PRO A 60 -0.892 4.766 2.850 1.00 0.00 C ATOM 857 CD PRO A 60 -0.288 3.657 1.988 1.00 0.00 C ATOM 0 HA PRO A 60 -3.379 2.756 2.267 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.897 5.517 2.473 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.810 4.364 3.790 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.601 5.747 2.474 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.529 4.697 3.875 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.261 4.076 1.145 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.419 3.059 2.563 1.00 0.00 H new ATOM 865 N CYS A 61 -4.602 4.059 0.483 1.00 0.00 N ATOM 866 CA CYS A 61 -5.295 4.562 -0.686 1.00 0.00 C ATOM 867 C CYS A 61 -5.009 6.064 -0.791 1.00 0.00 C ATOM 868 O CYS A 61 -4.701 6.712 0.210 1.00 0.00 O ATOM 869 CB CYS A 61 -6.798 4.311 -0.560 1.00 0.00 C ATOM 870 SG CYS A 61 -7.354 2.654 -0.103 1.00 0.00 S ATOM 0 H CYS A 61 -5.213 3.798 1.257 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.947 4.050 -1.583 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.191 5.009 0.179 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.259 4.565 -1.515 1.00 0.00 H new ATOM 875 N ALA A 62 -5.101 6.626 -1.995 1.00 0.00 N ATOM 876 CA ALA A 62 -4.892 8.045 -2.231 1.00 0.00 C ATOM 877 C ALA A 62 -5.864 8.836 -1.343 1.00 0.00 C ATOM 878 O ALA A 62 -7.000 8.402 -1.197 1.00 0.00 O ATOM 879 CB ALA A 62 -5.100 8.332 -3.722 1.00 0.00 C ATOM 0 H ALA A 62 -5.325 6.100 -2.840 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.878 8.350 -1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.946 9.394 -3.913 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.387 7.751 -4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.115 8.055 -4.008 1.00 0.00 H new ATOM 885 N PRO A 63 -5.463 9.981 -0.767 1.00 0.00 N ATOM 886 CA PRO A 63 -6.245 10.783 0.176 1.00 0.00 C ATOM 887 C PRO A 63 -7.785 10.803 0.075 1.00 0.00 C ATOM 888 O PRO A 63 -8.443 10.811 1.112 1.00 0.00 O ATOM 889 CB PRO A 63 -5.614 12.175 0.127 1.00 0.00 C ATOM 890 CG PRO A 63 -4.133 11.834 -0.059 1.00 0.00 C ATOM 891 CD PRO A 63 -4.148 10.585 -0.948 1.00 0.00 C ATOM 0 HA PRO A 63 -6.178 10.291 1.147 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.004 12.773 -0.697 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.793 12.739 1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.591 12.653 -0.531 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.646 11.638 0.896 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.979 10.847 -1.992 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.357 9.892 -0.661 1.00 0.00 H new ATOM 899 N ASN A 64 -8.389 10.846 -1.120 1.00 0.00 N ATOM 900 CA ASN A 64 -9.853 10.831 -1.247 1.00 0.00 C ATOM 901 C ASN A 64 -10.443 9.455 -0.918 1.00 0.00 C ATOM 902 O ASN A 64 -11.540 9.346 -0.376 1.00 0.00 O ATOM 903 CB ASN A 64 -10.258 11.212 -2.680 1.00 0.00 C ATOM 904 CG ASN A 64 -11.721 10.874 -2.971 1.00 0.00 C ATOM 905 OD1 ASN A 64 -12.037 9.813 -3.506 1.00 0.00 O ATOM 906 ND2 ASN A 64 -12.615 11.781 -2.615 1.00 0.00 N ATOM 0 H ASN A 64 -7.890 10.891 -2.008 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.246 11.554 -0.533 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.096 12.279 -2.831 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.617 10.688 -3.389 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.607 11.612 -2.782 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.313 12.649 -2.173 1.00 0.00 H new ATOM 913 N LEU A 65 -9.731 8.406 -1.318 1.00 0.00 N ATOM 914 CA LEU A 65 -10.166 7.030 -1.217 1.00 0.00 C ATOM 915 C LEU A 65 -10.169 6.555 0.237 1.00 0.00 C ATOM 916 O LEU A 65 -9.425 7.062 1.073 1.00 0.00 O ATOM 917 CB LEU A 65 -9.203 6.139 -2.013 1.00 0.00 C ATOM 918 CG LEU A 65 -9.154 6.262 -3.544 1.00 0.00 C ATOM 919 CD1 LEU A 65 -10.352 5.570 -4.182 1.00 0.00 C ATOM 920 CD2 LEU A 65 -9.053 7.690 -4.088 1.00 0.00 C ATOM 0 H LEU A 65 -8.805 8.501 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.179 6.964 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.197 6.327 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.444 5.103 -1.775 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.222 5.769 -3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.295 5.670 -5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.347 4.513 -3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.272 6.031 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.025 7.663 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.919 8.266 -3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.143 8.159 -3.713 1.00 0.00 H new ATOM 932 N ALA A 66 -10.977 5.530 0.513 1.00 0.00 N ATOM 933 CA ALA A 66 -11.085 4.869 1.800 1.00 0.00 C ATOM 934 C ALA A 66 -10.958 3.364 1.566 1.00 0.00 C ATOM 935 O ALA A 66 -11.538 2.837 0.614 1.00 0.00 O ATOM 936 CB ALA A 66 -12.434 5.212 2.434 1.00 0.00 C ATOM 0 H ALA A 66 -11.597 5.126 -0.189 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.299 5.200 2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.518 4.717 3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.508 6.291 2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.239 4.873 1.782 1.00 0.00 H new ATOM 942 N CYS A 67 -10.192 2.675 2.418 1.00 0.00 N ATOM 943 CA CYS A 67 -10.012 1.231 2.337 1.00 0.00 C ATOM 944 C CYS A 67 -11.220 0.561 2.995 1.00 0.00 C ATOM 945 O CYS A 67 -11.290 0.519 4.222 1.00 0.00 O ATOM 946 CB CYS A 67 -8.705 0.821 3.027 1.00 0.00 C ATOM 947 SG CYS A 67 -8.376 -0.948 2.893 1.00 0.00 S ATOM 0 H CYS A 67 -9.679 3.110 3.185 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.944 0.913 1.297 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.876 1.375 2.587 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.751 1.100 4.080 1.00 0.00 H new ATOM 952 N VAL A 68 -12.185 0.078 2.205 1.00 0.00 N ATOM 953 CA VAL A 68 -13.433 -0.500 2.704 1.00 0.00 C ATOM 954 C VAL A 68 -13.625 -1.920 2.167 1.00 0.00 C ATOM 955 O VAL A 68 -13.072 -2.300 1.135 1.00 0.00 O ATOM 956 CB VAL A 68 -14.623 0.416 2.343 1.00 0.00 C ATOM 957 CG1 VAL A 68 -15.939 -0.041 2.991 1.00 0.00 C ATOM 958 CG2 VAL A 68 -14.367 1.867 2.778 1.00 0.00 C ATOM 0 H VAL A 68 -12.118 0.079 1.187 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.383 -0.571 3.791 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.716 0.354 1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -16.741 0.639 2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -16.179 -1.049 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -15.831 -0.037 4.076 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -15.224 2.484 2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -14.219 1.903 3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -13.476 2.245 2.277 1.00 0.00 H new ATOM 968 N GLN A 69 -14.396 -2.719 2.904 1.00 0.00 N ATOM 969 CA GLN A 69 -14.725 -4.088 2.558 1.00 0.00 C ATOM 970 C GLN A 69 -15.581 -4.177 1.297 1.00 0.00 C ATOM 971 O GLN A 69 -16.513 -3.397 1.115 1.00 0.00 O ATOM 972 CB GLN A 69 -15.476 -4.724 3.736 1.00 0.00 C ATOM 973 CG GLN A 69 -14.515 -5.365 4.742 1.00 0.00 C ATOM 974 CD GLN A 69 -14.272 -6.824 4.369 1.00 0.00 C ATOM 975 OE1 GLN A 69 -15.131 -7.671 4.595 1.00 0.00 O ATOM 976 NE2 GLN A 69 -13.145 -7.141 3.743 1.00 0.00 N ATOM 0 H GLN A 69 -14.818 -2.416 3.782 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.796 -4.620 2.355 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -16.075 -3.964 4.238 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.167 -5.479 3.362 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.570 -4.821 4.753 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.931 -5.302 5.747 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.442 -6.424 3.564 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.982 -8.102 3.441 1.00 0.00 H new ATOM 985 N THR A 70 -15.264 -5.163 0.455 1.00 0.00 N ATOM 986 CA THR A 70 -16.031 -5.525 -0.732 1.00 0.00 C ATOM 987 C THR A 70 -16.577 -6.947 -0.551 1.00 0.00 C ATOM 988 O THR A 70 -17.654 -7.278 -1.045 1.00 0.00 O ATOM 989 CB THR A 70 -15.181 -5.362 -1.998 1.00 0.00 C ATOM 990 OG1 THR A 70 -14.017 -6.158 -1.948 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.774 -3.899 -2.188 1.00 0.00 C ATOM 0 H THR A 70 -14.439 -5.748 0.588 1.00 0.00 H new ATOM 0 HA THR A 70 -16.880 -4.853 -0.856 1.00 0.00 H new ATOM 0 HB THR A 70 -15.793 -5.688 -2.839 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.759 -6.303 -1.014 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.171 -3.803 -3.091 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.668 -3.282 -2.281 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.193 -3.568 -1.327 1.00 0.00 H new ATOM 999 N SER A 71 -15.837 -7.803 0.160 1.00 0.00 N ATOM 1000 CA SER A 71 -16.224 -9.153 0.547 1.00 0.00 C ATOM 1001 C SER A 71 -15.334 -9.504 1.746 1.00 0.00 C ATOM 1002 O SER A 71 -14.322 -8.826 1.933 1.00 0.00 O ATOM 1003 CB SER A 71 -16.050 -10.147 -0.614 1.00 0.00 C ATOM 1004 OG SER A 71 -16.357 -9.571 -1.870 1.00 0.00 O ATOM 0 H SER A 71 -14.906 -7.556 0.496 1.00 0.00 H new ATOM 0 HA SER A 71 -17.280 -9.210 0.810 1.00 0.00 H new ATOM 0 HB2 SER A 71 -15.023 -10.511 -0.626 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.692 -11.012 -0.447 1.00 0.00 H new ATOM 0 HG SER A 71 -16.975 -10.156 -2.356 1.00 0.00 H new ATOM 1010 N PRO A 72 -15.678 -10.516 2.559 1.00 0.00 N ATOM 1011 CA PRO A 72 -14.889 -10.941 3.708 1.00 0.00 C ATOM 1012 C PRO A 72 -13.390 -10.947 3.392 1.00 0.00 C ATOM 1013 O PRO A 72 -12.978 -11.570 2.416 1.00 0.00 O ATOM 1014 CB PRO A 72 -15.420 -12.333 4.057 1.00 0.00 C ATOM 1015 CG PRO A 72 -16.896 -12.223 3.674 1.00 0.00 C ATOM 1016 CD PRO A 72 -16.863 -11.343 2.422 1.00 0.00 C ATOM 0 HA PRO A 72 -14.988 -10.257 4.551 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.911 -13.115 3.494 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -15.290 -12.565 5.114 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -17.334 -13.200 3.469 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.487 -11.770 4.470 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -16.816 -11.949 1.517 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.762 -10.731 2.349 1.00 0.00 H new ATOM 1024 N LYS A 73 -12.591 -10.190 4.157 1.00 0.00 N ATOM 1025 CA LYS A 73 -11.144 -10.013 3.988 1.00 0.00 C ATOM 1026 C LYS A 73 -10.797 -9.131 2.776 1.00 0.00 C ATOM 1027 O LYS A 73 -9.885 -8.308 2.846 1.00 0.00 O ATOM 1028 CB LYS A 73 -10.388 -11.354 3.941 1.00 0.00 C ATOM 1029 CG LYS A 73 -10.763 -12.338 5.061 1.00 0.00 C ATOM 1030 CD LYS A 73 -10.594 -11.788 6.485 1.00 0.00 C ATOM 1031 CE LYS A 73 -9.145 -11.387 6.786 1.00 0.00 C ATOM 1032 NZ LYS A 73 -8.978 -11.008 8.200 1.00 0.00 N ATOM 0 H LYS A 73 -12.955 -9.659 4.948 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.803 -9.484 4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.577 -11.830 2.979 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.318 -11.155 3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.801 -12.643 4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.151 -13.234 4.958 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.243 -10.922 6.617 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.917 -12.541 7.204 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.479 -12.216 6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.856 -10.553 6.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.988 -10.742 8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.597 -10.201 8.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.231 -11.813 8.807 1.00 0.00 H new ATOM 1046 N LYS A 74 -11.524 -9.287 1.669 1.00 0.00 N ATOM 1047 CA LYS A 74 -11.363 -8.535 0.437 1.00 0.00 C ATOM 1048 C LYS A 74 -11.691 -7.049 0.664 1.00 0.00 C ATOM 1049 O LYS A 74 -12.823 -6.595 0.469 1.00 0.00 O ATOM 1050 CB LYS A 74 -12.244 -9.190 -0.636 1.00 0.00 C ATOM 1051 CG LYS A 74 -11.904 -8.759 -2.067 1.00 0.00 C ATOM 1052 CD LYS A 74 -13.046 -9.125 -3.028 1.00 0.00 C ATOM 1053 CE LYS A 74 -13.283 -10.634 -3.165 1.00 0.00 C ATOM 1054 NZ LYS A 74 -14.560 -10.898 -3.850 1.00 0.00 N ATOM 0 H LYS A 74 -12.275 -9.975 1.611 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.328 -8.560 0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.147 -10.273 -0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.287 -8.949 -0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.727 -7.684 -2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.982 -9.243 -2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.965 -8.653 -2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.827 -8.711 -4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.464 -11.087 -3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.291 -11.097 -2.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.695 -11.924 -3.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.342 -10.498 -3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.546 -10.459 -4.792 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.669 -6.289 1.058 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.714 -4.851 1.290 1.00 0.00 C ATOM 1070 C PHE A 75 -10.153 -4.146 0.053 1.00 0.00 C ATOM 1071 O PHE A 75 -9.097 -4.535 -0.450 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.853 -4.498 2.512 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.583 -4.407 3.837 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -11.108 -3.167 4.247 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -10.541 -5.480 4.746 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.613 -3.007 5.548 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.070 -5.329 6.040 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.595 -4.090 6.446 1.00 0.00 C ATOM 0 H PHE A 75 -9.744 -6.682 1.232 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.740 -4.534 1.474 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.066 -5.246 2.605 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.364 -3.542 2.323 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -11.123 -2.335 3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.102 -6.421 4.449 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.015 -2.054 5.859 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.073 -6.166 6.723 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.984 -3.969 7.446 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.854 -3.117 -0.439 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.434 -2.338 -1.598 1.00 0.00 C ATOM 1090 C LYS A 76 -10.612 -0.842 -1.343 1.00 0.00 C ATOM 1091 O LYS A 76 -11.320 -0.427 -0.426 1.00 0.00 O ATOM 1092 CB LYS A 76 -11.182 -2.762 -2.872 1.00 0.00 C ATOM 1093 CG LYS A 76 -11.172 -4.277 -3.102 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.552 -4.574 -4.556 1.00 0.00 C ATOM 1095 CE LYS A 76 -11.774 -6.073 -4.762 1.00 0.00 C ATOM 1096 NZ LYS A 76 -12.020 -6.388 -6.179 1.00 0.00 N ATOM 0 H LYS A 76 -11.737 -2.803 -0.036 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.374 -2.539 -1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.214 -2.417 -2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.731 -2.267 -3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.184 -4.683 -2.883 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.874 -4.763 -2.425 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.458 -4.028 -4.819 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.764 -4.223 -5.222 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.901 -6.624 -4.411 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.622 -6.403 -4.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.167 -7.412 -6.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.867 -5.881 -6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.200 -6.094 -6.747 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.940 -0.036 -2.159 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.953 1.414 -2.102 1.00 0.00 C ATOM 1112 C CYS A 77 -11.171 1.938 -2.859 1.00 0.00 C ATOM 1113 O CYS A 77 -11.202 1.846 -4.086 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.671 1.938 -2.756 1.00 0.00 C ATOM 1115 SG CYS A 77 -7.137 1.594 -1.872 1.00 0.00 S ATOM 0 H CYS A 77 -9.348 -0.395 -2.908 1.00 0.00 H new ATOM 0 HA CYS A 77 -10.005 1.752 -1.067 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.595 1.510 -3.756 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.763 3.017 -2.877 1.00 0.00 H new ATOM 1120 N LEU A 78 -12.169 2.478 -2.154 1.00 0.00 N ATOM 1121 CA LEU A 78 -13.356 3.072 -2.768 1.00 0.00 C ATOM 1122 C LEU A 78 -13.302 4.585 -2.574 1.00 0.00 C ATOM 1123 O LEU A 78 -12.781 5.070 -1.572 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.656 2.532 -2.156 1.00 0.00 C ATOM 1125 CG LEU A 78 -15.017 1.066 -2.462 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -15.179 0.810 -3.965 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -14.035 0.055 -1.868 1.00 0.00 C ATOM 0 H LEU A 78 -12.174 2.515 -1.135 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.356 2.811 -3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.594 2.647 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.478 3.162 -2.497 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.978 0.912 -1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.433 -0.237 -4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.974 1.443 -4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.245 1.042 -4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.353 -0.955 -2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.039 0.235 -2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.012 0.164 -0.784 1.00 0.00 H new ATOM 1139 N SER A 79 -13.840 5.323 -3.543 1.00 0.00 N ATOM 1140 CA SER A 79 -13.887 6.782 -3.541 1.00 0.00 C ATOM 1141 C SER A 79 -15.033 7.280 -2.662 1.00 0.00 C ATOM 1142 O SER A 79 -15.936 6.511 -2.333 1.00 0.00 O ATOM 1143 CB SER A 79 -14.014 7.281 -4.984 1.00 0.00 C ATOM 1144 OG SER A 79 -12.972 6.732 -5.776 1.00 0.00 O ATOM 0 H SER A 79 -14.266 4.911 -4.373 1.00 0.00 H new ATOM 0 HA SER A 79 -12.966 7.182 -3.118 1.00 0.00 H new ATOM 0 HB2 SER A 79 -14.983 6.996 -5.393 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.966 8.370 -5.008 1.00 0.00 H new ATOM 0 HG SER A 79 -12.960 7.172 -6.652 1.00 0.00 H new ATOM 1150 N LYS A 80 -14.979 8.557 -2.283 1.00 0.00 N ATOM 1151 CA LYS A 80 -15.962 9.243 -1.465 1.00 0.00 C ATOM 1152 C LYS A 80 -16.101 10.651 -2.044 1.00 0.00 C ATOM 1153 O LYS A 80 -17.106 11.316 -1.718 1.00 0.00 O ATOM 1154 CB LYS A 80 -15.481 9.312 -0.005 1.00 0.00 C ATOM 1155 CG LYS A 80 -15.246 7.947 0.663 1.00 0.00 C ATOM 1156 CD LYS A 80 -16.555 7.167 0.856 1.00 0.00 C ATOM 1157 CE LYS A 80 -16.308 5.777 1.453 1.00 0.00 C ATOM 1158 NZ LYS A 80 -15.757 5.851 2.817 1.00 0.00 N ATOM 1159 OXT LYS A 80 -15.180 11.033 -2.804 1.00 0.00 O ATOM 0 H LYS A 80 -14.207 9.166 -2.555 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.918 8.719 -1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.553 9.882 0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.217 9.865 0.579 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.560 7.359 0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.766 8.095 1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.220 7.730 1.510 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.062 7.065 -0.103 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.244 5.219 1.470 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.619 5.225 0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.637 4.890 3.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.835 6.331 2.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.410 6.384 3.427 1.00 0.00 H new TER 1173 LYS A 80