USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 354 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 18 TYR OH : rot -153:sc= 0.491 USER MOD Set 1.2: A 47 HIS :FLIP no HE2:sc= 0.0328 F(o=-0.24,f=0.52) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -170:sc= -0.168 (180deg=-0.425) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0581 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0758) USER MOD Single : A 17 ASN : amide:sc= -0.0339 K(o=-0.034,f=-2.1!) USER MOD Single : A 19 LYS NZ :NH3+ 133:sc= -0.0946 (180deg=-0.611) USER MOD Single : A 20 SER OG : rot 63:sc= 1.09 USER MOD Single : A 21 ASN : amide:sc= -2.27! C(o=-2.3!,f=-3.9!) USER MOD Single : A 24 ASN : amide:sc= -0.0765 K(o=-0.076,f=-4.4!) USER MOD Single : A 29 GLN :FLIP amide:sc= -3.07! C(o=-4.8!,f=-3.1!) USER MOD Single : A 40 ASN : amide:sc= -4.69! C(o=-4.7!,f=-15!) USER MOD Single : A 43 TYR OH : rot 130:sc= -1.2 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.47) USER MOD Single : A 51 LYS NZ :NH3+ 161:sc=-0.00998 (180deg=-0.431) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.281 -5.909 -0.397 1.00 0.00 N ATOM 2 CA SER A 1 6.381 -6.867 -1.098 1.00 0.00 C ATOM 3 C SER A 1 6.327 -6.511 -2.579 1.00 0.00 C ATOM 4 O SER A 1 5.788 -5.471 -2.958 1.00 0.00 O ATOM 5 CB SER A 1 4.979 -6.786 -0.487 1.00 0.00 C ATOM 6 OG SER A 1 4.996 -7.377 0.805 1.00 0.00 O ATOM 0 H1 SER A 1 7.322 -6.147 0.614 1.00 0.00 H new ATOM 0 H2 SER A 1 8.236 -5.968 -0.805 1.00 0.00 H new ATOM 0 H3 SER A 1 6.915 -4.942 -0.510 1.00 0.00 H new ATOM 0 HA SER A 1 6.760 -7.883 -0.986 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.658 -5.746 -0.420 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.261 -7.300 -1.126 1.00 0.00 H new ATOM 0 HG SER A 1 4.101 -7.326 1.200 1.00 0.00 H new ATOM 12 N GLU A 2 6.897 -7.376 -3.411 1.00 0.00 N ATOM 13 CA GLU A 2 6.911 -7.137 -4.849 1.00 0.00 C ATOM 14 C GLU A 2 5.508 -6.735 -5.332 1.00 0.00 C ATOM 15 O GLU A 2 4.513 -7.026 -4.666 1.00 0.00 O ATOM 16 CB GLU A 2 7.411 -8.407 -5.570 1.00 0.00 C ATOM 17 CG GLU A 2 8.910 -8.273 -5.887 1.00 0.00 C ATOM 18 CD GLU A 2 9.680 -7.911 -4.620 1.00 0.00 C ATOM 19 OE1 GLU A 2 9.708 -8.727 -3.713 1.00 0.00 O ATOM 20 OE2 GLU A 2 10.231 -6.824 -4.575 1.00 0.00 O ATOM 0 H GLU A 2 7.351 -8.241 -3.118 1.00 0.00 H new ATOM 0 HA GLU A 2 7.589 -6.316 -5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.240 -9.283 -4.944 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.848 -8.559 -6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.289 -9.209 -6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.063 -7.507 -6.647 1.00 0.00 H new ATOM 27 N PRO A 3 5.414 -6.062 -6.462 1.00 0.00 N ATOM 28 CA PRO A 3 4.105 -5.586 -7.028 1.00 0.00 C ATOM 29 C PRO A 3 3.273 -6.734 -7.645 1.00 0.00 C ATOM 30 O PRO A 3 2.624 -7.496 -6.935 1.00 0.00 O ATOM 31 CB PRO A 3 4.542 -4.547 -8.076 1.00 0.00 C ATOM 32 CG PRO A 3 5.866 -5.053 -8.558 1.00 0.00 C ATOM 33 CD PRO A 3 6.542 -5.690 -7.333 1.00 0.00 C ATOM 0 HA PRO A 3 3.440 -5.172 -6.270 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.822 -4.475 -8.891 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.630 -3.552 -7.639 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.738 -5.783 -9.358 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.472 -4.241 -8.961 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.136 -6.560 -7.612 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.215 -4.990 -6.838 1.00 0.00 H new ATOM 41 N ASP A 4 3.311 -6.822 -8.978 1.00 0.00 N ATOM 42 CA ASP A 4 2.565 -7.846 -9.732 1.00 0.00 C ATOM 43 C ASP A 4 3.337 -9.149 -9.610 1.00 0.00 C ATOM 44 O ASP A 4 2.695 -10.204 -9.631 1.00 0.00 O ATOM 45 CB ASP A 4 2.419 -7.403 -11.206 1.00 0.00 C ATOM 46 CG ASP A 4 3.270 -6.157 -11.474 1.00 0.00 C ATOM 47 OD1 ASP A 4 4.293 -6.289 -12.129 1.00 0.00 O ATOM 48 OD2 ASP A 4 2.888 -5.087 -11.022 1.00 0.00 O ATOM 0 H ASP A 4 3.855 -6.191 -9.566 1.00 0.00 H new ATOM 0 HA ASP A 4 1.558 -7.981 -9.336 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.728 -8.212 -11.868 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.373 -7.192 -11.427 1.00 0.00 H new ATOM 53 N GLU A 5 4.647 -9.152 -9.495 1.00 0.00 N ATOM 54 CA GLU A 5 5.355 -10.421 -9.378 1.00 0.00 C ATOM 55 C GLU A 5 4.682 -11.367 -8.365 1.00 0.00 C ATOM 56 O GLU A 5 4.582 -12.568 -8.593 1.00 0.00 O ATOM 57 CB GLU A 5 6.842 -10.150 -9.022 1.00 0.00 C ATOM 58 CG GLU A 5 7.330 -11.041 -7.871 1.00 0.00 C ATOM 59 CD GLU A 5 7.268 -12.517 -8.274 1.00 0.00 C ATOM 60 OE1 GLU A 5 7.190 -13.348 -7.384 1.00 0.00 O ATOM 61 OE2 GLU A 5 7.289 -12.792 -9.463 1.00 0.00 O ATOM 0 H GLU A 5 5.236 -8.319 -9.479 1.00 0.00 H new ATOM 0 HA GLU A 5 5.313 -10.934 -10.339 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.462 -10.322 -9.902 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.964 -9.103 -8.746 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.352 -10.773 -7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.715 -10.873 -6.987 1.00 0.00 H new ATOM 68 N ILE A 6 4.226 -10.794 -7.247 1.00 0.00 N ATOM 69 CA ILE A 6 3.552 -11.569 -6.199 1.00 0.00 C ATOM 70 C ILE A 6 2.235 -12.145 -6.715 1.00 0.00 C ATOM 71 O ILE A 6 1.896 -13.294 -6.432 1.00 0.00 O ATOM 72 CB ILE A 6 3.266 -10.671 -4.991 1.00 0.00 C ATOM 73 CG1 ILE A 6 4.570 -10.019 -4.508 1.00 0.00 C ATOM 74 CG2 ILE A 6 2.620 -11.486 -3.864 1.00 0.00 C ATOM 75 CD1 ILE A 6 5.573 -11.089 -4.052 1.00 0.00 C ATOM 0 H ILE A 6 4.311 -9.798 -7.044 1.00 0.00 H new ATOM 0 HA ILE A 6 4.208 -12.389 -5.906 1.00 0.00 H new ATOM 0 HB ILE A 6 2.570 -9.886 -5.287 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.005 -9.424 -5.311 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.359 -9.337 -3.685 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.422 -10.836 -3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.683 -11.916 -4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.295 -12.286 -3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.490 -10.607 -3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.143 -11.666 -3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.799 -11.755 -4.885 1.00 0.00 H new ATOM 87 N CYS A 7 1.480 -11.338 -7.456 1.00 0.00 N ATOM 88 CA CYS A 7 0.205 -11.802 -7.973 1.00 0.00 C ATOM 89 C CYS A 7 0.400 -12.980 -8.926 1.00 0.00 C ATOM 90 O CYS A 7 -0.338 -13.955 -8.883 1.00 0.00 O ATOM 91 CB CYS A 7 -0.542 -10.659 -8.653 1.00 0.00 C ATOM 92 SG CYS A 7 -2.235 -10.608 -8.047 1.00 0.00 S ATOM 0 H CYS A 7 1.726 -10.380 -7.706 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.400 -12.151 -7.136 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.043 -9.712 -8.450 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.535 -10.798 -9.734 1.00 0.00 H new ATOM 97 N ARG A 8 1.406 -12.860 -9.791 1.00 0.00 N ATOM 98 CA ARG A 8 1.691 -13.894 -10.779 1.00 0.00 C ATOM 99 C ARG A 8 2.139 -15.181 -10.106 1.00 0.00 C ATOM 100 O ARG A 8 1.779 -16.276 -10.533 1.00 0.00 O ATOM 101 CB ARG A 8 2.757 -13.404 -11.761 1.00 0.00 C ATOM 102 CG ARG A 8 2.143 -12.331 -12.664 1.00 0.00 C ATOM 103 CD ARG A 8 3.209 -11.794 -13.611 1.00 0.00 C ATOM 104 NE ARG A 8 4.206 -11.047 -12.859 1.00 0.00 N ATOM 105 CZ ARG A 8 5.243 -10.484 -13.463 1.00 0.00 C ATOM 106 NH1 ARG A 8 6.123 -9.825 -12.764 1.00 0.00 N ATOM 107 NH2 ARG A 8 5.380 -10.593 -14.756 1.00 0.00 N ATOM 0 H ARG A 8 2.035 -12.058 -9.826 1.00 0.00 H new ATOM 0 HA ARG A 8 0.774 -14.104 -11.330 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.611 -12.997 -11.219 1.00 0.00 H new ATOM 0 HB3 ARG A 8 3.127 -14.235 -12.361 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.314 -12.751 -13.233 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.737 -11.520 -12.059 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.684 -12.618 -14.143 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.750 -11.151 -14.363 1.00 0.00 H new ATOM 0 HE ARG A 8 4.105 -10.955 -11.848 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.014 -9.743 -11.753 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.921 -9.391 -13.228 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.690 -11.111 -15.300 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.177 -10.160 -15.223 1.00 0.00 H new ATOM 121 N ALA A 9 2.959 -15.041 -9.080 1.00 0.00 N ATOM 122 CA ALA A 9 3.513 -16.182 -8.374 1.00 0.00 C ATOM 123 C ALA A 9 2.433 -16.996 -7.684 1.00 0.00 C ATOM 124 O ALA A 9 2.695 -18.103 -7.212 1.00 0.00 O ATOM 125 CB ALA A 9 4.496 -15.638 -7.344 1.00 0.00 C ATOM 0 H ALA A 9 3.259 -14.137 -8.714 1.00 0.00 H new ATOM 0 HA ALA A 9 4.005 -16.849 -9.082 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.937 -16.466 -6.789 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.284 -15.081 -7.851 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.971 -14.977 -6.654 1.00 0.00 H new ATOM 131 N ARG A 10 1.221 -16.446 -7.581 1.00 0.00 N ATOM 132 CA ARG A 10 0.117 -17.106 -6.894 1.00 0.00 C ATOM 133 C ARG A 10 -0.885 -17.686 -7.875 1.00 0.00 C ATOM 134 O ARG A 10 -1.746 -18.477 -7.491 1.00 0.00 O ATOM 135 CB ARG A 10 -0.586 -16.080 -5.984 1.00 0.00 C ATOM 136 CG ARG A 10 -1.715 -16.755 -5.202 1.00 0.00 C ATOM 137 CD ARG A 10 -2.285 -15.780 -4.174 1.00 0.00 C ATOM 138 NE ARG A 10 -3.367 -16.418 -3.433 1.00 0.00 N ATOM 139 CZ ARG A 10 -3.119 -17.160 -2.357 1.00 0.00 C ATOM 140 NH1 ARG A 10 -4.102 -17.731 -1.720 1.00 0.00 N ATOM 141 NH2 ARG A 10 -1.891 -17.323 -1.943 1.00 0.00 N ATOM 0 H ARG A 10 0.981 -15.534 -7.971 1.00 0.00 H new ATOM 0 HA ARG A 10 0.519 -17.930 -6.304 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.134 -15.642 -5.293 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.987 -15.264 -6.585 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.500 -17.078 -5.885 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.340 -17.648 -4.702 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.500 -15.462 -3.488 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.654 -14.884 -4.674 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.330 -16.293 -3.745 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.061 -17.609 -2.046 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.913 -18.300 -0.895 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.121 -16.881 -2.445 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.702 -17.892 -1.118 1.00 0.00 H new ATOM 155 N MET A 11 -0.786 -17.285 -9.145 1.00 0.00 N ATOM 156 CA MET A 11 -1.709 -17.753 -10.187 1.00 0.00 C ATOM 157 C MET A 11 -0.941 -18.412 -11.329 1.00 0.00 C ATOM 158 O MET A 11 0.232 -18.108 -11.549 1.00 0.00 O ATOM 159 CB MET A 11 -2.563 -16.586 -10.695 1.00 0.00 C ATOM 160 CG MET A 11 -1.678 -15.367 -11.006 1.00 0.00 C ATOM 161 SD MET A 11 -2.498 -13.851 -10.447 1.00 0.00 S ATOM 162 CE MET A 11 -3.958 -13.988 -11.502 1.00 0.00 C ATOM 0 H MET A 11 -0.074 -16.635 -9.479 1.00 0.00 H new ATOM 0 HA MET A 11 -2.374 -18.503 -9.759 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.105 -16.887 -11.591 1.00 0.00 H new ATOM 0 HB3 MET A 11 -3.309 -16.320 -9.946 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.712 -15.472 -10.511 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.483 -15.312 -12.077 1.00 0.00 H new ATOM 0 HE1 MET A 11 -4.529 -13.061 -11.455 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.648 -14.171 -12.531 1.00 0.00 H new ATOM 0 HE3 MET A 11 -4.579 -14.815 -11.158 1.00 0.00 H new ATOM 172 N THR A 12 -1.615 -19.266 -12.083 1.00 0.00 N ATOM 173 CA THR A 12 -0.990 -19.904 -13.236 1.00 0.00 C ATOM 174 C THR A 12 -0.860 -18.903 -14.387 1.00 0.00 C ATOM 175 O THR A 12 -1.537 -17.873 -14.405 1.00 0.00 O ATOM 176 CB THR A 12 -1.834 -21.084 -13.690 1.00 0.00 C ATOM 177 OG1 THR A 12 -3.105 -20.611 -14.119 1.00 0.00 O ATOM 178 CG2 THR A 12 -2.009 -22.048 -12.521 1.00 0.00 C ATOM 0 H THR A 12 -2.586 -19.533 -11.922 1.00 0.00 H new ATOM 0 HA THR A 12 0.002 -20.252 -12.949 1.00 0.00 H new ATOM 0 HB THR A 12 -1.344 -21.600 -14.516 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.653 -21.368 -14.415 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.613 -22.898 -12.838 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.032 -22.401 -12.191 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.507 -21.535 -11.698 1.00 0.00 H new ATOM 186 N HIS A 13 0.008 -19.208 -15.348 1.00 0.00 N ATOM 187 CA HIS A 13 0.211 -18.324 -16.496 1.00 0.00 C ATOM 188 C HIS A 13 -1.046 -18.265 -17.353 1.00 0.00 C ATOM 189 O HIS A 13 -1.414 -17.191 -17.833 1.00 0.00 O ATOM 190 CB HIS A 13 1.395 -18.801 -17.335 1.00 0.00 C ATOM 191 CG HIS A 13 2.656 -18.699 -16.522 1.00 0.00 C ATOM 192 ND1 HIS A 13 3.372 -17.519 -16.409 1.00 0.00 N ATOM 193 CD2 HIS A 13 3.336 -19.623 -15.768 1.00 0.00 C ATOM 194 CE1 HIS A 13 4.430 -17.760 -15.615 1.00 0.00 C ATOM 195 NE2 HIS A 13 4.456 -19.029 -15.196 1.00 0.00 N ATOM 0 H HIS A 13 0.579 -20.053 -15.357 1.00 0.00 H new ATOM 0 HA HIS A 13 0.427 -17.323 -16.123 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.237 -19.831 -17.654 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.482 -18.197 -18.238 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.045 -20.655 -15.639 1.00 0.00 H new ATOM 0 HE1 HIS A 13 5.169 -17.019 -15.348 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.148 -19.467 -14.588 1.00 0.00 H new ATOM 203 N LYS A 14 -1.701 -19.400 -17.561 1.00 0.00 N ATOM 204 CA LYS A 14 -2.907 -19.445 -18.381 1.00 0.00 C ATOM 205 C LYS A 14 -3.990 -18.563 -17.778 1.00 0.00 C ATOM 206 O LYS A 14 -4.678 -17.832 -18.489 1.00 0.00 O ATOM 207 CB LYS A 14 -3.366 -20.904 -18.522 1.00 0.00 C ATOM 208 CG LYS A 14 -4.743 -20.952 -19.185 1.00 0.00 C ATOM 209 CD LYS A 14 -5.139 -22.405 -19.446 1.00 0.00 C ATOM 210 CE LYS A 14 -6.514 -22.440 -20.116 1.00 0.00 C ATOM 211 NZ LYS A 14 -6.373 -22.056 -21.549 1.00 0.00 N ATOM 0 H LYS A 14 -1.419 -20.301 -17.174 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.695 -19.055 -19.377 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.646 -21.465 -19.117 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.408 -21.378 -17.541 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.483 -20.473 -18.544 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.726 -20.396 -20.122 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.398 -22.887 -20.084 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.164 -22.962 -18.509 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.945 -23.438 -20.036 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.196 -21.756 -19.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.262 -22.256 -22.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.158 -21.041 -21.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.601 -22.603 -21.981 1.00 0.00 H new ATOM 225 N GLU A 15 -4.149 -18.646 -16.470 1.00 0.00 N ATOM 226 CA GLU A 15 -5.168 -17.863 -15.805 1.00 0.00 C ATOM 227 C GLU A 15 -4.816 -16.382 -15.868 1.00 0.00 C ATOM 228 O GLU A 15 -5.662 -15.541 -16.164 1.00 0.00 O ATOM 229 CB GLU A 15 -5.288 -18.313 -14.352 1.00 0.00 C ATOM 230 CG GLU A 15 -6.467 -17.601 -13.695 1.00 0.00 C ATOM 231 CD GLU A 15 -6.648 -18.109 -12.270 1.00 0.00 C ATOM 232 OE1 GLU A 15 -5.751 -18.779 -11.784 1.00 0.00 O ATOM 233 OE2 GLU A 15 -7.680 -17.824 -11.688 1.00 0.00 O ATOM 0 H GLU A 15 -3.592 -19.240 -15.856 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.123 -18.015 -16.308 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.429 -19.393 -14.305 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.367 -18.088 -13.813 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.296 -16.525 -13.688 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.376 -17.775 -14.271 1.00 0.00 H new ATOM 240 N PHE A 16 -3.560 -16.083 -15.584 1.00 0.00 N ATOM 241 CA PHE A 16 -3.093 -14.706 -15.607 1.00 0.00 C ATOM 242 C PHE A 16 -3.254 -14.082 -16.984 1.00 0.00 C ATOM 243 O PHE A 16 -3.749 -12.962 -17.101 1.00 0.00 O ATOM 244 CB PHE A 16 -1.615 -14.630 -15.227 1.00 0.00 C ATOM 245 CG PHE A 16 -1.199 -13.179 -15.118 1.00 0.00 C ATOM 246 CD1 PHE A 16 -1.222 -12.528 -13.878 1.00 0.00 C ATOM 247 CD2 PHE A 16 -0.787 -12.486 -16.264 1.00 0.00 C ATOM 248 CE1 PHE A 16 -0.834 -11.184 -13.785 1.00 0.00 C ATOM 249 CE2 PHE A 16 -0.400 -11.143 -16.169 1.00 0.00 C ATOM 250 CZ PHE A 16 -0.423 -10.492 -14.931 1.00 0.00 C ATOM 0 H PHE A 16 -2.848 -16.770 -15.336 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.700 -14.159 -14.886 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.445 -15.141 -14.279 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.009 -15.138 -15.977 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.539 -13.061 -12.994 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.768 -12.987 -17.220 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.852 -10.682 -12.829 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.083 -10.609 -17.053 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.124 -9.457 -14.859 1.00 0.00 H new ATOM 260 N ASN A 17 -2.878 -14.801 -18.034 1.00 0.00 N ATOM 261 CA ASN A 17 -3.023 -14.305 -19.395 1.00 0.00 C ATOM 262 C ASN A 17 -4.491 -14.097 -19.743 1.00 0.00 C ATOM 263 O ASN A 17 -4.843 -13.113 -20.393 1.00 0.00 O ATOM 264 CB ASN A 17 -2.384 -15.279 -20.379 1.00 0.00 C ATOM 265 CG ASN A 17 -0.866 -15.238 -20.239 1.00 0.00 C ATOM 266 OD1 ASN A 17 -0.319 -14.275 -19.700 1.00 0.00 O ATOM 267 ND2 ASN A 17 -0.150 -16.227 -20.695 1.00 0.00 N ATOM 0 H ASN A 17 -2.469 -15.733 -17.968 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.515 -13.343 -19.465 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.748 -16.289 -20.192 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.671 -15.020 -21.398 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.866 -16.205 -20.606 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.606 -17.023 -21.141 1.00 0.00 H new ATOM 274 N TYR A 18 -5.350 -15.037 -19.346 1.00 0.00 N ATOM 275 CA TYR A 18 -6.771 -14.970 -19.653 1.00 0.00 C ATOM 276 C TYR A 18 -7.412 -13.721 -19.069 1.00 0.00 C ATOM 277 O TYR A 18 -8.072 -12.941 -19.755 1.00 0.00 O ATOM 278 CB TYR A 18 -7.472 -16.223 -19.111 1.00 0.00 C ATOM 279 CG TYR A 18 -8.968 -16.088 -19.292 1.00 0.00 C ATOM 280 CD1 TYR A 18 -9.584 -16.624 -20.429 1.00 0.00 C ATOM 281 CD2 TYR A 18 -9.735 -15.421 -18.330 1.00 0.00 C ATOM 282 CE1 TYR A 18 -10.966 -16.491 -20.603 1.00 0.00 C ATOM 283 CE2 TYR A 18 -11.117 -15.288 -18.504 1.00 0.00 C ATOM 284 CZ TYR A 18 -11.733 -15.824 -19.641 1.00 0.00 C ATOM 285 OH TYR A 18 -13.095 -15.694 -19.816 1.00 0.00 O ATOM 0 H TYR A 18 -5.078 -15.859 -18.807 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.883 -14.923 -20.736 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -7.111 -17.109 -19.634 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -7.234 -16.357 -18.056 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -8.993 -17.140 -21.171 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -9.260 -15.008 -17.452 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -11.441 -16.904 -21.481 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.708 -14.772 -17.762 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.410 -14.893 -19.348 1.00 0.00 H new ATOM 295 N LYS A 19 -7.214 -13.563 -17.769 1.00 0.00 N ATOM 296 CA LYS A 19 -7.776 -12.440 -17.046 1.00 0.00 C ATOM 297 C LYS A 19 -7.214 -11.124 -17.555 1.00 0.00 C ATOM 298 O LYS A 19 -7.920 -10.122 -17.651 1.00 0.00 O ATOM 299 CB LYS A 19 -7.479 -12.566 -15.554 1.00 0.00 C ATOM 300 CG LYS A 19 -8.014 -13.892 -14.994 1.00 0.00 C ATOM 301 CD LYS A 19 -9.528 -13.803 -14.762 1.00 0.00 C ATOM 302 CE LYS A 19 -10.027 -15.110 -14.138 1.00 0.00 C ATOM 303 NZ LYS A 19 -9.404 -15.292 -12.796 1.00 0.00 N ATOM 0 H LYS A 19 -6.666 -14.203 -17.194 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.854 -12.450 -17.208 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.403 -12.505 -15.388 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.932 -11.732 -15.018 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.793 -14.703 -15.688 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.509 -14.128 -14.057 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.757 -12.963 -14.106 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.041 -13.619 -15.706 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.113 -15.090 -14.046 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.777 -15.952 -14.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.136 -15.558 -12.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.686 -16.043 -12.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.955 -14.402 -12.498 1.00 0.00 H new ATOM 317 N SER A 20 -5.919 -11.136 -17.859 1.00 0.00 N ATOM 318 CA SER A 20 -5.253 -9.942 -18.342 1.00 0.00 C ATOM 319 C SER A 20 -5.903 -9.417 -19.617 1.00 0.00 C ATOM 320 O SER A 20 -6.150 -8.224 -19.783 1.00 0.00 O ATOM 321 CB SER A 20 -3.760 -10.185 -18.560 1.00 0.00 C ATOM 322 OG SER A 20 -3.157 -10.561 -17.329 1.00 0.00 O ATOM 0 H SER A 20 -5.318 -11.956 -17.778 1.00 0.00 H new ATOM 0 HA SER A 20 -5.362 -9.180 -17.570 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.613 -10.968 -19.304 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.287 -9.283 -18.949 1.00 0.00 H new ATOM 0 HG SER A 20 -3.541 -11.409 -17.022 1.00 0.00 H new ATOM 328 N ASN A 21 -6.225 -10.374 -20.491 1.00 0.00 N ATOM 329 CA ASN A 21 -6.909 -10.070 -21.744 1.00 0.00 C ATOM 330 C ASN A 21 -8.292 -9.480 -21.468 1.00 0.00 C ATOM 331 O ASN A 21 -8.744 -8.580 -22.176 1.00 0.00 O ATOM 332 CB ASN A 21 -7.047 -11.330 -22.599 1.00 0.00 C ATOM 333 CG ASN A 21 -7.780 -10.997 -23.898 1.00 0.00 C ATOM 334 OD1 ASN A 21 -8.219 -9.863 -24.090 1.00 0.00 O ATOM 335 ND2 ASN A 21 -7.941 -11.922 -24.807 1.00 0.00 N ATOM 0 H ASN A 21 -6.022 -11.364 -20.352 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.313 -9.337 -22.288 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.062 -11.739 -22.822 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.593 -12.096 -22.049 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.430 -11.704 -25.675 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.577 -12.862 -24.648 1.00 0.00 H new ATOM 342 N VAL A 22 -8.965 -9.981 -20.428 1.00 0.00 N ATOM 343 CA VAL A 22 -10.291 -9.494 -20.064 1.00 0.00 C ATOM 344 C VAL A 22 -10.216 -8.032 -19.642 1.00 0.00 C ATOM 345 O VAL A 22 -11.000 -7.200 -20.092 1.00 0.00 O ATOM 346 CB VAL A 22 -10.861 -10.334 -18.924 1.00 0.00 C ATOM 347 CG1 VAL A 22 -12.203 -9.750 -18.474 1.00 0.00 C ATOM 348 CG2 VAL A 22 -11.069 -11.772 -19.410 1.00 0.00 C ATOM 0 H VAL A 22 -8.610 -10.724 -19.826 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.946 -9.579 -20.931 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.165 -10.326 -18.085 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.607 -10.352 -17.660 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.057 -8.726 -18.130 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.901 -9.756 -19.311 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.476 -12.375 -18.598 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.765 -11.775 -20.249 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.114 -12.190 -19.729 1.00 0.00 H new ATOM 358 N CYS A 23 -9.251 -7.728 -18.770 1.00 0.00 N ATOM 359 CA CYS A 23 -9.072 -6.364 -18.292 1.00 0.00 C ATOM 360 C CYS A 23 -8.623 -5.483 -19.433 1.00 0.00 C ATOM 361 O CYS A 23 -9.068 -4.340 -19.528 1.00 0.00 O ATOM 362 CB CYS A 23 -8.026 -6.294 -17.164 1.00 0.00 C ATOM 363 SG CYS A 23 -8.751 -6.864 -15.601 1.00 0.00 S ATOM 0 H CYS A 23 -8.590 -8.404 -18.387 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.028 -6.019 -17.898 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -7.164 -6.910 -17.419 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.666 -5.271 -17.055 1.00 0.00 H new ATOM 368 N ASN A 24 -7.766 -5.962 -20.304 1.00 0.00 N ATOM 369 CA ASN A 24 -7.296 -5.156 -21.407 1.00 0.00 C ATOM 370 C ASN A 24 -8.430 -4.827 -22.348 1.00 0.00 C ATOM 371 O ASN A 24 -8.403 -3.779 -22.993 1.00 0.00 O ATOM 372 CB ASN A 24 -6.170 -5.863 -22.160 1.00 0.00 C ATOM 373 CG ASN A 24 -4.910 -5.885 -21.305 1.00 0.00 C ATOM 374 OD1 ASN A 24 -4.767 -5.077 -20.387 1.00 0.00 O ATOM 375 ND2 ASN A 24 -3.986 -6.769 -21.551 1.00 0.00 N ATOM 0 H ASN A 24 -7.380 -6.906 -20.271 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.902 -4.225 -20.998 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.470 -6.881 -22.408 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.972 -5.351 -23.102 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.140 -6.794 -20.982 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.109 -7.436 -22.312 1.00 0.00 H new ATOM 382 N GLY A 25 -9.436 -5.693 -22.443 1.00 0.00 N ATOM 383 CA GLY A 25 -10.558 -5.430 -23.326 1.00 0.00 C ATOM 384 C GLY A 25 -11.586 -4.545 -22.651 1.00 0.00 C ATOM 385 O GLY A 25 -12.681 -4.342 -23.181 1.00 0.00 O ATOM 0 H GLY A 25 -9.494 -6.570 -21.925 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.203 -4.950 -24.238 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.021 -6.371 -23.621 1.00 0.00 H new ATOM 389 N CYS A 26 -11.293 -4.084 -21.433 1.00 0.00 N ATOM 390 CA CYS A 26 -12.276 -3.317 -20.671 1.00 0.00 C ATOM 391 C CYS A 26 -12.331 -1.862 -21.066 1.00 0.00 C ATOM 392 O CYS A 26 -13.371 -1.220 -20.870 1.00 0.00 O ATOM 393 CB CYS A 26 -12.029 -3.393 -19.160 1.00 0.00 C ATOM 394 SG CYS A 26 -13.445 -2.587 -18.359 1.00 0.00 S ATOM 0 H CYS A 26 -10.400 -4.226 -20.962 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.231 -3.784 -20.913 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -11.938 -4.429 -18.834 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.098 -2.893 -18.894 1.00 0.00 H new ATOM 399 N GLY A 27 -11.279 -1.313 -21.654 1.00 0.00 N ATOM 400 CA GLY A 27 -11.301 0.076 -22.098 1.00 0.00 C ATOM 401 C GLY A 27 -10.233 0.920 -21.402 1.00 0.00 C ATOM 402 O GLY A 27 -9.047 0.590 -21.443 1.00 0.00 O ATOM 0 H GLY A 27 -10.403 -1.803 -21.835 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.146 0.114 -23.176 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.284 0.503 -21.902 1.00 0.00 H new ATOM 406 N ASP A 28 -10.659 2.003 -20.752 1.00 0.00 N ATOM 407 CA ASP A 28 -9.725 2.880 -20.032 1.00 0.00 C ATOM 408 C ASP A 28 -9.683 2.493 -18.555 1.00 0.00 C ATOM 409 O ASP A 28 -9.114 3.219 -17.741 1.00 0.00 O ATOM 410 CB ASP A 28 -10.158 4.332 -20.187 1.00 0.00 C ATOM 411 CG ASP A 28 -9.972 4.768 -21.635 1.00 0.00 C ATOM 412 OD1 ASP A 28 -10.543 5.780 -22.006 1.00 0.00 O ATOM 413 OD2 ASP A 28 -9.262 4.083 -22.353 1.00 0.00 O ATOM 0 H ASP A 28 -11.635 2.296 -20.707 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.726 2.764 -20.452 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.202 4.444 -19.894 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.571 4.970 -19.526 1.00 0.00 H new ATOM 418 N GLN A 29 -10.253 1.349 -18.215 1.00 0.00 N ATOM 419 CA GLN A 29 -10.241 0.874 -16.829 1.00 0.00 C ATOM 420 C GLN A 29 -9.169 -0.188 -16.660 1.00 0.00 C ATOM 421 O GLN A 29 -9.118 -0.869 -15.641 1.00 0.00 O ATOM 422 CB GLN A 29 -11.602 0.309 -16.436 1.00 0.00 C ATOM 423 CG GLN A 29 -12.697 1.321 -16.771 1.00 0.00 C ATOM 424 CD GLN A 29 -12.969 1.314 -18.270 1.00 0.00 C ATOM 425 OE1 GLN A 29 -13.157 2.444 -18.894 1.00 0.00 O flip ATOM 426 NE2 GLN A 29 -13.009 0.251 -18.890 1.00 0.00 N flip ATOM 0 H GLN A 29 -10.729 0.730 -18.871 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.021 1.718 -16.176 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.784 -0.627 -16.965 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.618 0.081 -15.370 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.609 1.077 -16.226 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.393 2.318 -16.453 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.862 -0.631 -18.400 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.189 0.253 -19.894 1.00 0.00 H new ATOM 435 N VAL A 30 -8.335 -0.345 -17.683 1.00 0.00 N ATOM 436 CA VAL A 30 -7.296 -1.359 -17.633 1.00 0.00 C ATOM 437 C VAL A 30 -6.598 -1.377 -16.288 1.00 0.00 C ATOM 438 O VAL A 30 -6.447 -2.439 -15.682 1.00 0.00 O ATOM 439 CB VAL A 30 -6.245 -1.117 -18.720 1.00 0.00 C ATOM 440 CG1 VAL A 30 -5.390 -2.378 -18.905 1.00 0.00 C ATOM 441 CG2 VAL A 30 -6.939 -0.756 -20.030 1.00 0.00 C ATOM 0 H VAL A 30 -8.359 0.207 -18.540 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.787 -2.319 -17.796 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.597 -0.293 -18.421 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.644 -2.201 -19.679 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.890 -2.619 -17.967 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.029 -3.211 -19.200 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.190 -0.584 -20.803 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.592 -1.574 -20.333 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.531 0.148 -19.891 1.00 0.00 H new ATOM 451 N ALA A 31 -6.134 -0.217 -15.818 1.00 0.00 N ATOM 452 CA ALA A 31 -5.411 -0.158 -14.567 1.00 0.00 C ATOM 453 C ALA A 31 -6.288 -0.493 -13.367 1.00 0.00 C ATOM 454 O ALA A 31 -5.859 -1.198 -12.447 1.00 0.00 O ATOM 455 CB ALA A 31 -4.693 1.177 -14.380 1.00 0.00 C ATOM 0 H ALA A 31 -6.250 0.681 -16.287 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.646 -0.933 -14.624 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.164 1.175 -13.427 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.980 1.323 -15.191 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.423 1.987 -14.388 1.00 0.00 H new ATOM 461 N ALA A 32 -7.534 -0.001 -13.385 1.00 0.00 N ATOM 462 CA ALA A 32 -8.484 -0.266 -12.312 1.00 0.00 C ATOM 463 C ALA A 32 -8.803 -1.760 -12.268 1.00 0.00 C ATOM 464 O ALA A 32 -8.915 -2.379 -11.212 1.00 0.00 O ATOM 465 CB ALA A 32 -9.794 0.490 -12.569 1.00 0.00 C ATOM 0 H ALA A 32 -7.902 0.583 -14.136 1.00 0.00 H new ATOM 0 HA ALA A 32 -8.042 0.060 -11.370 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.497 0.285 -11.761 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.594 1.561 -12.613 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.224 0.162 -13.516 1.00 0.00 H new ATOM 471 N CYS A 33 -8.970 -2.298 -13.467 1.00 0.00 N ATOM 472 CA CYS A 33 -9.297 -3.701 -13.618 1.00 0.00 C ATOM 473 C CYS A 33 -8.126 -4.578 -13.171 1.00 0.00 C ATOM 474 O CYS A 33 -8.300 -5.667 -12.616 1.00 0.00 O ATOM 475 CB CYS A 33 -9.658 -3.988 -15.074 1.00 0.00 C ATOM 476 SG CYS A 33 -10.331 -5.661 -15.252 1.00 0.00 S ATOM 0 H CYS A 33 -8.884 -1.784 -14.344 1.00 0.00 H new ATOM 0 HA CYS A 33 -10.153 -3.936 -12.986 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.389 -3.258 -15.423 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -8.773 -3.878 -15.701 1.00 0.00 H new ATOM 481 N GLU A 34 -6.906 -4.080 -13.416 1.00 0.00 N ATOM 482 CA GLU A 34 -5.692 -4.796 -13.057 1.00 0.00 C ATOM 483 C GLU A 34 -5.344 -4.596 -11.587 1.00 0.00 C ATOM 484 O GLU A 34 -4.514 -5.324 -11.038 1.00 0.00 O ATOM 485 CB GLU A 34 -4.539 -4.302 -13.943 1.00 0.00 C ATOM 486 CG GLU A 34 -4.622 -4.932 -15.339 1.00 0.00 C ATOM 487 CD GLU A 34 -3.536 -4.355 -16.240 1.00 0.00 C ATOM 488 OE1 GLU A 34 -3.488 -4.735 -17.399 1.00 0.00 O ATOM 489 OE2 GLU A 34 -2.770 -3.539 -15.757 1.00 0.00 O ATOM 0 H GLU A 34 -6.742 -3.178 -13.864 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.855 -5.862 -13.216 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.576 -3.216 -14.026 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.585 -4.554 -13.481 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.508 -6.014 -15.266 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.604 -4.744 -15.774 1.00 0.00 H new ATOM 496 N ALA A 35 -5.928 -3.588 -10.936 1.00 0.00 N ATOM 497 CA ALA A 35 -5.630 -3.237 -9.558 1.00 0.00 C ATOM 498 C ALA A 35 -5.594 -4.426 -8.622 1.00 0.00 C ATOM 499 O ALA A 35 -4.611 -4.632 -7.911 1.00 0.00 O ATOM 500 CB ALA A 35 -6.749 -2.308 -9.036 1.00 0.00 C ATOM 0 H ALA A 35 -6.632 -2.987 -11.364 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.644 -2.773 -9.566 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.541 -2.034 -8.002 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.790 -1.407 -9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.706 -2.826 -9.089 1.00 0.00 H new ATOM 506 N GLU A 36 -6.689 -5.152 -8.594 1.00 0.00 N ATOM 507 CA GLU A 36 -6.805 -6.277 -7.664 1.00 0.00 C ATOM 508 C GLU A 36 -6.638 -7.614 -8.343 1.00 0.00 C ATOM 509 O GLU A 36 -7.365 -8.557 -8.060 1.00 0.00 O ATOM 510 CB GLU A 36 -8.156 -6.216 -6.935 1.00 0.00 C ATOM 511 CG GLU A 36 -8.209 -4.967 -6.046 1.00 0.00 C ATOM 512 CD GLU A 36 -9.548 -4.893 -5.315 1.00 0.00 C ATOM 513 OE1 GLU A 36 -10.301 -5.848 -5.393 1.00 0.00 O ATOM 514 OE2 GLU A 36 -9.803 -3.878 -4.688 1.00 0.00 O ATOM 0 H GLU A 36 -7.503 -4.997 -9.188 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.992 -6.185 -6.944 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.970 -6.193 -7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.294 -7.111 -6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.393 -4.992 -5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.069 -4.073 -6.654 1.00 0.00 H new ATOM 521 N CYS A 37 -5.687 -7.691 -9.273 1.00 0.00 N ATOM 522 CA CYS A 37 -5.470 -8.920 -10.012 1.00 0.00 C ATOM 523 C CYS A 37 -6.779 -9.369 -10.649 1.00 0.00 C ATOM 524 O CYS A 37 -7.107 -10.556 -10.657 1.00 0.00 O ATOM 525 CB CYS A 37 -4.911 -10.006 -9.084 1.00 0.00 C ATOM 526 SG CYS A 37 -3.347 -10.620 -9.716 1.00 0.00 S ATOM 0 H CYS A 37 -5.065 -6.923 -9.526 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.739 -8.744 -10.801 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.772 -9.601 -8.081 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.625 -10.826 -9.001 1.00 0.00 H new ATOM 531 N PHE A 38 -7.513 -8.420 -11.219 1.00 0.00 N ATOM 532 CA PHE A 38 -8.760 -8.727 -11.884 1.00 0.00 C ATOM 533 C PHE A 38 -9.834 -9.123 -10.876 1.00 0.00 C ATOM 534 O PHE A 38 -10.941 -9.506 -11.254 1.00 0.00 O ATOM 535 CB PHE A 38 -8.557 -9.811 -12.965 1.00 0.00 C ATOM 536 CG PHE A 38 -7.080 -9.898 -13.339 1.00 0.00 C ATOM 537 CD1 PHE A 38 -6.410 -8.771 -13.818 1.00 0.00 C ATOM 538 CD2 PHE A 38 -6.378 -11.114 -13.192 1.00 0.00 C ATOM 539 CE1 PHE A 38 -5.048 -8.854 -14.150 1.00 0.00 C ATOM 540 CE2 PHE A 38 -5.017 -11.187 -13.531 1.00 0.00 C ATOM 541 CZ PHE A 38 -4.356 -10.057 -14.013 1.00 0.00 C ATOM 0 H PHE A 38 -7.260 -7.432 -11.230 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.108 -7.826 -12.390 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.905 -10.776 -12.596 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.152 -9.574 -13.847 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.938 -7.836 -13.933 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.888 -11.989 -12.818 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.532 -7.978 -14.515 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.482 -12.118 -13.418 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.311 -10.114 -14.279 1.00 0.00 H new ATOM 551 N ARG A 39 -9.518 -8.999 -9.586 1.00 0.00 N ATOM 552 CA ARG A 39 -10.463 -9.302 -8.514 1.00 0.00 C ATOM 553 C ARG A 39 -11.143 -7.997 -8.076 1.00 0.00 C ATOM 554 O ARG A 39 -10.817 -7.413 -7.048 1.00 0.00 O ATOM 555 CB ARG A 39 -9.734 -9.936 -7.340 1.00 0.00 C ATOM 556 CG ARG A 39 -10.739 -10.577 -6.390 1.00 0.00 C ATOM 557 CD ARG A 39 -9.996 -11.177 -5.199 1.00 0.00 C ATOM 558 NE ARG A 39 -10.915 -11.959 -4.389 1.00 0.00 N ATOM 559 CZ ARG A 39 -10.622 -12.290 -3.138 1.00 0.00 C ATOM 560 NH1 ARG A 39 -11.466 -12.996 -2.440 1.00 0.00 N ATOM 561 NH2 ARG A 39 -9.494 -11.905 -2.608 1.00 0.00 N ATOM 0 H ARG A 39 -8.604 -8.687 -9.258 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.215 -10.006 -8.870 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.031 -10.687 -7.700 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.152 -9.181 -6.812 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.458 -9.833 -6.047 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.304 -11.352 -6.909 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.178 -11.807 -5.549 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.552 -10.383 -4.598 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.803 -12.259 -4.790 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.349 -13.293 -2.856 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.244 -13.252 -1.478 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.837 -11.349 -3.155 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.269 -12.160 -1.646 1.00 0.00 H new ATOM 575 N ASN A 40 -12.089 -7.568 -8.889 1.00 0.00 N ATOM 576 CA ASN A 40 -12.808 -6.326 -8.597 1.00 0.00 C ATOM 577 C ASN A 40 -14.110 -6.301 -9.365 1.00 0.00 C ATOM 578 O ASN A 40 -14.350 -7.142 -10.235 1.00 0.00 O ATOM 579 CB ASN A 40 -11.912 -5.144 -8.974 1.00 0.00 C ATOM 580 CG ASN A 40 -11.409 -5.291 -10.404 1.00 0.00 C ATOM 581 OD1 ASN A 40 -12.123 -5.787 -11.268 1.00 0.00 O ATOM 582 ND2 ASN A 40 -10.206 -4.880 -10.703 1.00 0.00 N ATOM 0 H ASN A 40 -12.379 -8.044 -9.743 1.00 0.00 H new ATOM 0 HA ASN A 40 -13.048 -6.260 -7.536 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.468 -4.212 -8.872 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.066 -5.088 -8.289 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.858 -4.971 -11.658 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.614 -4.468 -9.982 1.00 0.00 H new ATOM 589 N ASP A 41 -14.971 -5.341 -9.022 1.00 0.00 N ATOM 590 CA ASP A 41 -16.270 -5.245 -9.675 1.00 0.00 C ATOM 591 C ASP A 41 -16.095 -4.820 -11.118 1.00 0.00 C ATOM 592 O ASP A 41 -16.872 -5.255 -11.974 1.00 0.00 O ATOM 593 CB ASP A 41 -17.170 -4.263 -8.920 1.00 0.00 C ATOM 594 CG ASP A 41 -18.475 -4.021 -9.671 1.00 0.00 C ATOM 595 OD1 ASP A 41 -18.778 -4.801 -10.558 1.00 0.00 O ATOM 596 OD2 ASP A 41 -19.155 -3.062 -9.344 1.00 0.00 O ATOM 0 H ASP A 41 -14.794 -4.633 -8.309 1.00 0.00 H new ATOM 0 HA ASP A 41 -16.749 -6.224 -9.662 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -17.387 -4.655 -7.926 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -16.646 -3.317 -8.783 1.00 0.00 H new ATOM 601 N VAL A 42 -15.090 -4.010 -11.429 1.00 0.00 N ATOM 602 CA VAL A 42 -14.839 -3.594 -12.798 1.00 0.00 C ATOM 603 C VAL A 42 -14.543 -4.824 -13.649 1.00 0.00 C ATOM 604 O VAL A 42 -15.074 -4.965 -14.746 1.00 0.00 O ATOM 605 CB VAL A 42 -13.672 -2.602 -12.868 1.00 0.00 C ATOM 606 CG1 VAL A 42 -13.194 -2.455 -14.313 1.00 0.00 C ATOM 607 CG2 VAL A 42 -14.123 -1.241 -12.354 1.00 0.00 C ATOM 0 H VAL A 42 -14.435 -3.628 -10.747 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.725 -3.089 -13.182 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.855 -2.978 -12.252 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.365 -1.748 -14.352 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.863 -3.424 -14.687 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.013 -2.088 -14.932 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.291 -0.539 -12.405 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.946 -0.874 -12.968 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.456 -1.334 -11.320 1.00 0.00 H new ATOM 617 N TYR A 43 -13.717 -5.726 -13.127 1.00 0.00 N ATOM 618 CA TYR A 43 -13.392 -6.959 -13.832 1.00 0.00 C ATOM 619 C TYR A 43 -14.681 -7.705 -14.148 1.00 0.00 C ATOM 620 O TYR A 43 -14.887 -8.137 -15.278 1.00 0.00 O ATOM 621 CB TYR A 43 -12.497 -7.839 -12.949 1.00 0.00 C ATOM 622 CG TYR A 43 -12.417 -9.241 -13.523 1.00 0.00 C ATOM 623 CD1 TYR A 43 -13.178 -10.273 -12.952 1.00 0.00 C ATOM 624 CD2 TYR A 43 -11.593 -9.510 -14.622 1.00 0.00 C ATOM 625 CE1 TYR A 43 -13.115 -11.568 -13.482 1.00 0.00 C ATOM 626 CE2 TYR A 43 -11.530 -10.808 -15.149 1.00 0.00 C ATOM 627 CZ TYR A 43 -12.290 -11.836 -14.578 1.00 0.00 C ATOM 628 OH TYR A 43 -12.235 -13.111 -15.101 1.00 0.00 O ATOM 0 H TYR A 43 -13.262 -5.625 -12.220 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.864 -6.723 -14.756 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -11.499 -7.407 -12.884 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -12.895 -7.875 -11.935 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -13.813 -10.068 -12.103 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -11.006 -8.718 -15.064 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -13.704 -12.360 -13.044 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -10.894 -11.015 -15.997 1.00 0.00 H new ATOM 0 HH TYR A 43 -12.365 -13.072 -16.072 1.00 0.00 H new ATOM 638 N THR A 44 -15.547 -7.867 -13.154 1.00 0.00 N ATOM 639 CA THR A 44 -16.793 -8.569 -13.379 1.00 0.00 C ATOM 640 C THR A 44 -17.607 -7.902 -14.488 1.00 0.00 C ATOM 641 O THR A 44 -18.034 -8.535 -15.438 1.00 0.00 O ATOM 642 CB THR A 44 -17.597 -8.664 -12.083 1.00 0.00 C ATOM 643 OG1 THR A 44 -16.892 -9.478 -11.153 1.00 0.00 O ATOM 644 CG2 THR A 44 -18.961 -9.279 -12.372 1.00 0.00 C ATOM 0 H THR A 44 -15.408 -7.526 -12.203 1.00 0.00 H new ATOM 0 HA THR A 44 -16.560 -9.582 -13.707 1.00 0.00 H new ATOM 0 HB THR A 44 -17.735 -7.667 -11.664 1.00 0.00 H new ATOM 0 HG1 THR A 44 -17.403 -9.540 -10.319 1.00 0.00 H new ATOM 0 HG21 THR A 44 -19.533 -9.346 -11.447 1.00 0.00 H new ATOM 0 HG22 THR A 44 -19.498 -8.655 -13.086 1.00 0.00 H new ATOM 0 HG23 THR A 44 -18.829 -10.277 -12.790 1.00 0.00 H new ATOM 652 N ALA A 45 -17.780 -6.591 -14.372 1.00 0.00 N ATOM 653 CA ALA A 45 -18.499 -5.756 -15.326 1.00 0.00 C ATOM 654 C ALA A 45 -17.895 -5.870 -16.725 1.00 0.00 C ATOM 655 O ALA A 45 -18.608 -6.027 -17.713 1.00 0.00 O ATOM 656 CB ALA A 45 -18.339 -4.355 -14.792 1.00 0.00 C ATOM 0 H ALA A 45 -17.410 -6.061 -13.583 1.00 0.00 H new ATOM 0 HA ALA A 45 -19.544 -6.052 -15.424 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.852 -3.654 -15.451 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.770 -4.295 -13.793 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -17.280 -4.102 -14.746 1.00 0.00 H new ATOM 662 N CYS A 46 -16.562 -5.795 -16.789 1.00 0.00 N ATOM 663 CA CYS A 46 -15.875 -5.902 -18.068 1.00 0.00 C ATOM 664 C CYS A 46 -16.014 -7.321 -18.605 1.00 0.00 C ATOM 665 O CYS A 46 -16.246 -7.535 -19.800 1.00 0.00 O ATOM 666 CB CYS A 46 -14.405 -5.504 -17.915 1.00 0.00 C ATOM 667 SG CYS A 46 -14.317 -3.897 -17.092 1.00 0.00 S ATOM 0 H CYS A 46 -15.951 -5.663 -15.983 1.00 0.00 H new ATOM 0 HA CYS A 46 -16.330 -5.218 -18.784 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -13.870 -6.255 -17.334 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -13.924 -5.454 -18.892 1.00 0.00 H new ATOM 672 N HIS A 47 -15.871 -8.296 -17.708 1.00 0.00 N ATOM 673 CA HIS A 47 -15.979 -9.691 -18.103 1.00 0.00 C ATOM 674 C HIS A 47 -17.406 -10.010 -18.540 1.00 0.00 C ATOM 675 O HIS A 47 -17.616 -10.694 -19.542 1.00 0.00 O ATOM 676 CB HIS A 47 -15.570 -10.600 -16.944 1.00 0.00 C ATOM 677 CG HIS A 47 -15.484 -12.019 -17.431 1.00 0.00 C ATOM 678 ND1 HIS A 47 -15.702 -13.218 -16.803 1.00 0.00 N flip ATOM 679 CD2 HIS A 47 -15.128 -12.330 -18.733 1.00 0.00 C flip ATOM 680 CE1 HIS A 47 -15.486 -14.261 -17.699 1.00 0.00 C flip ATOM 681 NE2 HIS A 47 -15.142 -13.670 -18.847 1.00 0.00 N flip ATOM 0 H HIS A 47 -15.683 -8.145 -16.717 1.00 0.00 H new ATOM 0 HA HIS A 47 -15.308 -9.867 -18.944 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -14.608 -10.283 -16.540 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -16.296 -10.525 -16.134 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -15.980 -13.329 -15.828 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -14.884 -11.625 -19.514 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -15.577 -15.320 -17.508 1.00 0.00 H new ATOM 689 N GLU A 48 -18.392 -9.514 -17.797 1.00 0.00 N ATOM 690 CA GLU A 48 -19.785 -9.750 -18.125 1.00 0.00 C ATOM 691 C GLU A 48 -20.171 -9.054 -19.425 1.00 0.00 C ATOM 692 O GLU A 48 -21.085 -9.488 -20.126 1.00 0.00 O ATOM 693 CB GLU A 48 -20.689 -9.259 -16.971 1.00 0.00 C ATOM 694 CG GLU A 48 -21.626 -10.381 -16.533 1.00 0.00 C ATOM 695 CD GLU A 48 -22.489 -10.818 -17.714 1.00 0.00 C ATOM 696 OE1 GLU A 48 -22.829 -11.988 -17.779 1.00 0.00 O ATOM 697 OE2 GLU A 48 -22.790 -9.974 -18.543 1.00 0.00 O ATOM 0 H GLU A 48 -18.246 -8.945 -16.963 1.00 0.00 H new ATOM 0 HA GLU A 48 -19.925 -10.822 -18.262 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -20.076 -8.936 -16.130 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -21.269 -8.394 -17.294 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -21.048 -11.226 -16.160 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -22.259 -10.041 -15.713 1.00 0.00 H new ATOM 704 N ALA A 49 -19.493 -7.948 -19.716 1.00 0.00 N ATOM 705 CA ALA A 49 -19.787 -7.163 -20.902 1.00 0.00 C ATOM 706 C ALA A 49 -19.224 -7.827 -22.144 1.00 0.00 C ATOM 707 O ALA A 49 -19.715 -7.605 -23.252 1.00 0.00 O ATOM 708 CB ALA A 49 -19.189 -5.761 -20.764 1.00 0.00 C ATOM 0 H ALA A 49 -18.735 -7.577 -19.143 1.00 0.00 H new ATOM 0 HA ALA A 49 -20.870 -7.093 -21.001 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.415 -5.180 -21.658 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.618 -5.267 -19.892 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.108 -5.837 -20.643 1.00 0.00 H new ATOM 714 N GLN A 50 -18.201 -8.666 -21.956 1.00 0.00 N ATOM 715 CA GLN A 50 -17.600 -9.375 -23.088 1.00 0.00 C ATOM 716 C GLN A 50 -18.281 -10.728 -23.273 1.00 0.00 C ATOM 717 O GLN A 50 -18.522 -11.457 -22.311 1.00 0.00 O ATOM 718 CB GLN A 50 -16.099 -9.542 -22.869 1.00 0.00 C ATOM 719 CG GLN A 50 -15.430 -8.167 -22.857 1.00 0.00 C ATOM 720 CD GLN A 50 -15.524 -7.539 -24.241 1.00 0.00 C ATOM 721 OE1 GLN A 50 -15.160 -8.169 -25.234 1.00 0.00 O ATOM 722 NE2 GLN A 50 -15.995 -6.330 -24.369 1.00 0.00 N ATOM 0 H GLN A 50 -17.779 -8.868 -21.050 1.00 0.00 H new ATOM 0 HA GLN A 50 -17.745 -8.790 -23.996 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -15.913 -10.057 -21.926 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -15.672 -10.159 -23.659 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -15.913 -7.523 -22.121 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -14.385 -8.263 -22.561 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -16.296 -5.810 -23.545 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -16.063 -5.904 -25.293 1.00 0.00 H new ATOM 731 N LYS A 51 -18.570 -11.060 -24.531 1.00 0.00 N ATOM 732 CA LYS A 51 -19.208 -12.331 -24.860 1.00 0.00 C ATOM 733 C LYS A 51 -18.199 -13.471 -24.783 1.00 0.00 C ATOM 734 O LYS A 51 -17.506 -13.685 -25.765 1.00 0.00 O ATOM 735 CB LYS A 51 -19.788 -12.269 -26.276 1.00 0.00 C ATOM 736 CG LYS A 51 -20.960 -11.288 -26.312 1.00 0.00 C ATOM 737 CD LYS A 51 -21.516 -11.204 -27.736 1.00 0.00 C ATOM 738 CE LYS A 51 -22.716 -10.256 -27.757 1.00 0.00 C ATOM 739 NZ LYS A 51 -22.259 -8.874 -27.434 1.00 0.00 N ATOM 0 H LYS A 51 -18.372 -10.467 -25.337 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.007 -12.512 -24.141 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.018 -11.956 -26.981 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.121 -13.259 -26.586 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.741 -11.613 -25.625 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.633 -10.303 -25.980 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.745 -10.848 -28.419 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.814 -12.194 -28.081 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -23.191 -10.274 -28.738 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.464 -10.582 -27.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -22.973 -8.189 -27.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -22.127 -8.783 -26.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -21.358 -8.685 -27.917 1.00 0.00 H new TER 753 LYS A 51