USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=11 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 19 LYS NZ :NH3+ -118:sc= 0.784 (180deg=0) USER MOD Set 1.2: A 43 TYR OH : rot 150:sc= -0.238 USER MOD Set 2.1: A 18 TYR OH : rot -161:sc= 1.09 USER MOD Set 2.2: A 47 HIS : no HE2:sc= 0.888 K(o=2,f=-3.8!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 61:sc= 1.15 USER MOD Single : A 11 MET CE :methyl 163:sc= -0.641 (180deg=-1.46!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0559 USER MOD Single : A 13 HIS : no HE2:sc= -0.914 K(o=-0.91,f=-3.1!) USER MOD Single : A 14 LYS NZ :NH3+ -161:sc= -0.122 (180deg=-0.674) USER MOD Single : A 17 ASN : amide:sc=-0.00407 X(o=-0.0041,f=-0.25) USER MOD Single : A 20 SER OG : rot 67:sc= 1.13 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 24 ASN : amide:sc=-0.00684 K(o=-0.0068,f=-0.69) USER MOD Single : A 29 GLN : amide:sc= -4.94! C(o=-4.9!,f=-2.7!) USER MOD Single : A 40 ASN : amide:sc= -7.97! C(o=-8!,f=-18!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.6) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.103 -6.028 -0.790 1.00 0.00 N ATOM 2 CA SER A 1 4.893 -6.502 -1.521 1.00 0.00 C ATOM 3 C SER A 1 5.009 -6.126 -2.993 1.00 0.00 C ATOM 4 O SER A 1 4.521 -5.079 -3.417 1.00 0.00 O ATOM 5 CB SER A 1 3.649 -5.853 -0.915 1.00 0.00 C ATOM 6 OG SER A 1 3.703 -4.447 -1.119 1.00 0.00 O ATOM 0 H1 SER A 1 6.024 -6.284 0.215 1.00 0.00 H new ATOM 0 H2 SER A 1 6.951 -6.474 -1.196 1.00 0.00 H new ATOM 0 H3 SER A 1 6.179 -4.995 -0.879 1.00 0.00 H new ATOM 0 HA SER A 1 4.812 -7.586 -1.434 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.750 -6.264 -1.375 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.592 -6.075 0.151 1.00 0.00 H new ATOM 0 HG SER A 1 3.722 -4.256 -2.080 1.00 0.00 H new ATOM 12 N GLU A 2 5.666 -6.983 -3.767 1.00 0.00 N ATOM 13 CA GLU A 2 5.848 -6.720 -5.187 1.00 0.00 C ATOM 14 C GLU A 2 4.508 -6.396 -5.850 1.00 0.00 C ATOM 15 O GLU A 2 3.448 -6.639 -5.271 1.00 0.00 O ATOM 16 CB GLU A 2 6.512 -7.936 -5.854 1.00 0.00 C ATOM 17 CG GLU A 2 7.990 -7.649 -6.129 1.00 0.00 C ATOM 18 CD GLU A 2 8.697 -7.341 -4.818 1.00 0.00 C ATOM 19 OE1 GLU A 2 9.849 -6.947 -4.867 1.00 0.00 O ATOM 20 OE2 GLU A 2 8.074 -7.504 -3.780 1.00 0.00 O ATOM 0 H GLU A 2 6.077 -7.857 -3.438 1.00 0.00 H new ATOM 0 HA GLU A 2 6.497 -5.853 -5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.418 -8.810 -5.209 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.000 -8.172 -6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.455 -8.508 -6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.087 -6.807 -6.814 1.00 0.00 H new ATOM 27 N PRO A 3 4.538 -5.838 -7.038 1.00 0.00 N ATOM 28 CA PRO A 3 3.305 -5.444 -7.764 1.00 0.00 C ATOM 29 C PRO A 3 2.638 -6.587 -8.523 1.00 0.00 C ATOM 30 O PRO A 3 1.875 -7.356 -7.945 1.00 0.00 O ATOM 31 CB PRO A 3 3.815 -4.352 -8.721 1.00 0.00 C ATOM 32 CG PRO A 3 5.217 -4.765 -9.056 1.00 0.00 C ATOM 33 CD PRO A 3 5.751 -5.527 -7.834 1.00 0.00 C ATOM 0 HA PRO A 3 2.521 -5.114 -7.082 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.196 -4.289 -9.616 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.793 -3.370 -8.249 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.234 -5.396 -9.944 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.837 -3.895 -9.272 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.276 -6.435 -8.130 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.456 -4.922 -7.265 1.00 0.00 H new ATOM 41 N ASP A 4 2.943 -6.710 -9.802 1.00 0.00 N ATOM 42 CA ASP A 4 2.395 -7.771 -10.649 1.00 0.00 C ATOM 43 C ASP A 4 3.371 -8.943 -10.706 1.00 0.00 C ATOM 44 O ASP A 4 3.298 -9.777 -11.605 1.00 0.00 O ATOM 45 CB ASP A 4 2.137 -7.231 -12.049 1.00 0.00 C ATOM 46 CG ASP A 4 1.709 -8.361 -12.973 1.00 0.00 C ATOM 47 OD1 ASP A 4 0.810 -9.094 -12.595 1.00 0.00 O ATOM 48 OD2 ASP A 4 2.299 -8.494 -14.031 1.00 0.00 O ATOM 0 H ASP A 4 3.578 -6.079 -10.290 1.00 0.00 H new ATOM 0 HA ASP A 4 1.452 -8.119 -10.227 1.00 0.00 H new ATOM 0 HB2 ASP A 4 1.362 -6.465 -12.015 1.00 0.00 H new ATOM 0 HB3 ASP A 4 3.038 -6.756 -12.436 1.00 0.00 H new ATOM 53 N GLU A 5 4.207 -9.075 -9.698 1.00 0.00 N ATOM 54 CA GLU A 5 5.098 -10.236 -9.605 1.00 0.00 C ATOM 55 C GLU A 5 4.513 -11.220 -8.577 1.00 0.00 C ATOM 56 O GLU A 5 4.466 -12.428 -8.814 1.00 0.00 O ATOM 57 CB GLU A 5 6.525 -9.786 -9.224 1.00 0.00 C ATOM 58 CG GLU A 5 7.111 -10.670 -8.103 1.00 0.00 C ATOM 59 CD GLU A 5 7.154 -12.123 -8.574 1.00 0.00 C ATOM 60 OE1 GLU A 5 7.187 -12.333 -9.776 1.00 0.00 O ATOM 61 OE2 GLU A 5 7.126 -13.003 -7.730 1.00 0.00 O ATOM 0 H GLU A 5 4.296 -8.406 -8.933 1.00 0.00 H new ATOM 0 HA GLU A 5 5.170 -10.739 -10.570 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.170 -9.833 -10.102 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.506 -8.746 -8.898 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.114 -10.330 -7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.503 -10.586 -7.202 1.00 0.00 H new ATOM 68 N ILE A 6 4.131 -10.702 -7.417 1.00 0.00 N ATOM 69 CA ILE A 6 3.602 -11.548 -6.352 1.00 0.00 C ATOM 70 C ILE A 6 2.270 -12.144 -6.766 1.00 0.00 C ATOM 71 O ILE A 6 1.984 -13.311 -6.493 1.00 0.00 O ATOM 72 CB ILE A 6 3.462 -10.738 -5.044 1.00 0.00 C ATOM 73 CG1 ILE A 6 4.818 -10.717 -4.291 1.00 0.00 C ATOM 74 CG2 ILE A 6 2.377 -11.355 -4.148 1.00 0.00 C ATOM 75 CD1 ILE A 6 4.927 -11.934 -3.363 1.00 0.00 C ATOM 0 H ILE A 6 4.176 -9.709 -7.189 1.00 0.00 H new ATOM 0 HA ILE A 6 4.300 -12.366 -6.173 1.00 0.00 H new ATOM 0 HB ILE A 6 3.173 -9.717 -5.292 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.640 -10.721 -5.007 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.906 -9.799 -3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.289 -10.774 -3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.423 -11.348 -4.675 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.648 -12.382 -3.903 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.883 -11.908 -2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.115 -11.911 -2.636 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.861 -12.848 -3.953 1.00 0.00 H new ATOM 87 N CYS A 7 1.461 -11.315 -7.397 1.00 0.00 N ATOM 88 CA CYS A 7 0.146 -11.746 -7.826 1.00 0.00 C ATOM 89 C CYS A 7 0.252 -12.940 -8.765 1.00 0.00 C ATOM 90 O CYS A 7 -0.492 -13.905 -8.646 1.00 0.00 O ATOM 91 CB CYS A 7 -0.616 -10.597 -8.490 1.00 0.00 C ATOM 92 SG CYS A 7 -2.304 -10.574 -7.884 1.00 0.00 S ATOM 0 H CYS A 7 1.689 -10.347 -7.622 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.415 -12.055 -6.944 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.127 -9.648 -8.272 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.608 -10.719 -9.573 1.00 0.00 H new ATOM 97 N ARG A 8 1.194 -12.844 -9.696 1.00 0.00 N ATOM 98 CA ARG A 8 1.404 -13.886 -10.695 1.00 0.00 C ATOM 99 C ARG A 8 1.852 -15.164 -10.033 1.00 0.00 C ATOM 100 O ARG A 8 1.453 -16.254 -10.438 1.00 0.00 O ATOM 101 CB ARG A 8 2.429 -13.439 -11.735 1.00 0.00 C ATOM 102 CG ARG A 8 2.553 -14.513 -12.822 1.00 0.00 C ATOM 103 CD ARG A 8 3.541 -14.046 -13.889 1.00 0.00 C ATOM 104 NE ARG A 8 4.872 -13.901 -13.308 1.00 0.00 N ATOM 105 CZ ARG A 8 5.689 -14.943 -13.191 1.00 0.00 C ATOM 106 NH1 ARG A 8 6.875 -14.787 -12.670 1.00 0.00 N ATOM 107 NH2 ARG A 8 5.303 -16.122 -13.595 1.00 0.00 N ATOM 0 H ARG A 8 1.828 -12.050 -9.780 1.00 0.00 H new ATOM 0 HA ARG A 8 0.457 -14.069 -11.204 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.124 -12.491 -12.178 1.00 0.00 H new ATOM 0 HB3 ARG A 8 3.396 -13.273 -11.261 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.892 -15.452 -12.384 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.579 -14.704 -13.272 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.569 -14.764 -14.709 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.213 -13.095 -14.309 1.00 0.00 H new ATOM 0 HE ARG A 8 5.181 -12.984 -12.986 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.175 -13.865 -12.352 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.502 -15.587 -12.580 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.375 -16.244 -14.000 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.929 -16.922 -13.506 1.00 0.00 H new ATOM 121 N ALA A 9 2.716 -15.037 -9.042 1.00 0.00 N ATOM 122 CA ALA A 9 3.268 -16.187 -8.354 1.00 0.00 C ATOM 123 C ALA A 9 2.181 -16.995 -7.685 1.00 0.00 C ATOM 124 O ALA A 9 2.437 -18.102 -7.220 1.00 0.00 O ATOM 125 CB ALA A 9 4.257 -15.701 -7.311 1.00 0.00 C ATOM 0 H ALA A 9 3.052 -14.139 -8.694 1.00 0.00 H new ATOM 0 HA ALA A 9 3.765 -16.829 -9.081 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.681 -16.556 -6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.056 -15.143 -7.799 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.746 -15.054 -6.598 1.00 0.00 H new ATOM 131 N ARG A 10 0.971 -16.445 -7.600 1.00 0.00 N ATOM 132 CA ARG A 10 -0.142 -17.113 -6.946 1.00 0.00 C ATOM 133 C ARG A 10 -1.090 -17.719 -7.964 1.00 0.00 C ATOM 134 O ARG A 10 -1.960 -18.510 -7.600 1.00 0.00 O ATOM 135 CB ARG A 10 -0.894 -16.085 -6.070 1.00 0.00 C ATOM 136 CG ARG A 10 -0.510 -16.273 -4.600 1.00 0.00 C ATOM 137 CD ARG A 10 -1.196 -15.209 -3.751 1.00 0.00 C ATOM 138 NE ARG A 10 -2.644 -15.349 -3.843 1.00 0.00 N ATOM 139 CZ ARG A 10 -3.455 -14.479 -3.251 1.00 0.00 C ATOM 140 NH1 ARG A 10 -4.749 -14.619 -3.350 1.00 0.00 N ATOM 141 NH2 ARG A 10 -2.958 -13.484 -2.568 1.00 0.00 N ATOM 0 H ARG A 10 0.740 -15.528 -7.982 1.00 0.00 H new ATOM 0 HA ARG A 10 0.244 -17.923 -6.327 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.650 -15.073 -6.392 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.970 -16.208 -6.192 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.803 -17.267 -4.262 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.572 -16.203 -4.485 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.879 -15.302 -2.712 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.897 -14.216 -4.087 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.041 -16.127 -4.370 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.139 -15.397 -3.882 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.371 -13.950 -2.895 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.947 -13.374 -2.489 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.581 -12.816 -2.113 1.00 0.00 H new ATOM 155 N MET A 11 -0.935 -17.336 -9.239 1.00 0.00 N ATOM 156 CA MET A 11 -1.805 -17.845 -10.300 1.00 0.00 C ATOM 157 C MET A 11 -0.983 -18.487 -11.410 1.00 0.00 C ATOM 158 O MET A 11 0.195 -18.168 -11.580 1.00 0.00 O ATOM 159 CB MET A 11 -2.671 -16.720 -10.846 1.00 0.00 C ATOM 160 CG MET A 11 -1.799 -15.517 -11.160 1.00 0.00 C ATOM 161 SD MET A 11 -2.803 -14.235 -11.939 1.00 0.00 S ATOM 162 CE MET A 11 -3.912 -13.930 -10.544 1.00 0.00 C ATOM 0 H MET A 11 -0.220 -16.681 -9.556 1.00 0.00 H new ATOM 0 HA MET A 11 -2.456 -18.613 -9.882 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.191 -17.050 -11.745 1.00 0.00 H new ATOM 0 HB3 MET A 11 -3.435 -16.449 -10.118 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.346 -15.134 -10.246 1.00 0.00 H new ATOM 0 HG3 MET A 11 -0.984 -15.808 -11.822 1.00 0.00 H new ATOM 0 HE1 MET A 11 -4.420 -12.976 -10.685 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.650 -14.730 -10.485 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.335 -13.900 -9.620 1.00 0.00 H new ATOM 172 N THR A 12 -1.619 -19.335 -12.191 1.00 0.00 N ATOM 173 CA THR A 12 -0.943 -19.951 -13.327 1.00 0.00 C ATOM 174 C THR A 12 -0.798 -18.933 -14.466 1.00 0.00 C ATOM 175 O THR A 12 -1.479 -17.905 -14.486 1.00 0.00 O ATOM 176 CB THR A 12 -1.740 -21.154 -13.819 1.00 0.00 C ATOM 177 OG1 THR A 12 -3.035 -20.728 -14.226 1.00 0.00 O ATOM 178 CG2 THR A 12 -1.862 -22.168 -12.685 1.00 0.00 C ATOM 0 H THR A 12 -2.592 -19.615 -12.067 1.00 0.00 H new ATOM 0 HA THR A 12 0.046 -20.280 -13.010 1.00 0.00 H new ATOM 0 HB THR A 12 -1.232 -21.615 -14.666 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.548 -21.500 -14.544 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.431 -23.032 -13.029 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.867 -22.489 -12.375 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.375 -21.709 -11.840 1.00 0.00 H new ATOM 186 N HIS A 13 0.090 -19.232 -15.414 1.00 0.00 N ATOM 187 CA HIS A 13 0.312 -18.347 -16.556 1.00 0.00 C ATOM 188 C HIS A 13 -0.936 -18.284 -17.417 1.00 0.00 C ATOM 189 O HIS A 13 -1.302 -17.208 -17.894 1.00 0.00 O ATOM 190 CB HIS A 13 1.501 -18.834 -17.381 1.00 0.00 C ATOM 191 CG HIS A 13 2.772 -18.606 -16.611 1.00 0.00 C ATOM 192 ND1 HIS A 13 3.251 -19.526 -15.691 1.00 0.00 N ATOM 193 CD2 HIS A 13 3.672 -17.572 -16.613 1.00 0.00 C ATOM 194 CE1 HIS A 13 4.394 -19.030 -15.183 1.00 0.00 C ATOM 195 NE2 HIS A 13 4.697 -17.841 -15.711 1.00 0.00 N ATOM 0 H HIS A 13 0.664 -20.075 -15.414 1.00 0.00 H new ATOM 0 HA HIS A 13 0.534 -17.346 -16.186 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.388 -19.893 -17.612 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.539 -18.303 -18.332 1.00 0.00 H new ATOM 0 HD1 HIS A 13 2.817 -20.415 -15.445 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.597 -16.683 -17.222 1.00 0.00 H new ATOM 0 HE1 HIS A 13 4.994 -19.532 -14.439 1.00 0.00 H new ATOM 203 N LYS A 14 -1.593 -19.423 -17.632 1.00 0.00 N ATOM 204 CA LYS A 14 -2.800 -19.454 -18.446 1.00 0.00 C ATOM 205 C LYS A 14 -3.870 -18.571 -17.828 1.00 0.00 C ATOM 206 O LYS A 14 -4.559 -17.837 -18.536 1.00 0.00 O ATOM 207 CB LYS A 14 -3.286 -20.906 -18.565 1.00 0.00 C ATOM 208 CG LYS A 14 -4.693 -20.930 -19.174 1.00 0.00 C ATOM 209 CD LYS A 14 -5.099 -22.365 -19.485 1.00 0.00 C ATOM 210 CE LYS A 14 -6.496 -22.368 -20.106 1.00 0.00 C ATOM 211 NZ LYS A 14 -7.473 -21.802 -19.131 1.00 0.00 N ATOM 0 H LYS A 14 -1.310 -20.328 -17.256 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.584 -19.069 -19.443 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.600 -21.480 -19.188 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.296 -21.378 -17.583 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.406 -20.483 -18.481 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.715 -20.331 -20.085 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.382 -22.818 -20.170 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.091 -22.963 -18.574 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.499 -21.780 -21.024 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.783 -23.384 -20.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.436 -22.088 -19.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.258 -22.158 -18.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.406 -20.764 -19.136 1.00 0.00 H new ATOM 225 N GLU A 15 -4.023 -18.665 -16.515 1.00 0.00 N ATOM 226 CA GLU A 15 -5.040 -17.883 -15.827 1.00 0.00 C ATOM 227 C GLU A 15 -4.692 -16.404 -15.866 1.00 0.00 C ATOM 228 O GLU A 15 -5.545 -15.562 -16.146 1.00 0.00 O ATOM 229 CB GLU A 15 -5.149 -18.354 -14.376 1.00 0.00 C ATOM 230 CG GLU A 15 -6.309 -17.632 -13.691 1.00 0.00 C ATOM 231 CD GLU A 15 -6.458 -18.125 -12.256 1.00 0.00 C ATOM 232 OE1 GLU A 15 -5.557 -18.800 -11.786 1.00 0.00 O ATOM 233 OE2 GLU A 15 -7.470 -17.820 -11.649 1.00 0.00 O ATOM 0 H GLU A 15 -3.464 -19.267 -15.911 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.996 -18.026 -16.330 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.308 -19.432 -14.343 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.218 -18.153 -13.846 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.133 -16.556 -13.698 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.233 -17.807 -14.242 1.00 0.00 H new ATOM 240 N PHE A 16 -3.438 -16.100 -15.582 1.00 0.00 N ATOM 241 CA PHE A 16 -2.980 -14.719 -15.593 1.00 0.00 C ATOM 242 C PHE A 16 -3.154 -14.091 -16.967 1.00 0.00 C ATOM 243 O PHE A 16 -3.670 -12.977 -17.077 1.00 0.00 O ATOM 244 CB PHE A 16 -1.496 -14.646 -15.213 1.00 0.00 C ATOM 245 CG PHE A 16 -0.987 -13.230 -15.425 1.00 0.00 C ATOM 246 CD1 PHE A 16 -1.317 -12.217 -14.519 1.00 0.00 C ATOM 247 CD2 PHE A 16 -0.182 -12.936 -16.537 1.00 0.00 C ATOM 248 CE1 PHE A 16 -0.845 -10.916 -14.720 1.00 0.00 C ATOM 249 CE2 PHE A 16 0.289 -11.633 -16.737 1.00 0.00 C ATOM 250 CZ PHE A 16 -0.042 -10.623 -15.828 1.00 0.00 C ATOM 0 H PHE A 16 -2.721 -16.785 -15.342 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.583 -14.172 -14.868 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.361 -14.940 -14.172 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.920 -15.345 -15.819 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.937 -12.440 -13.663 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.074 -13.716 -17.239 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.101 -10.136 -14.019 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.908 -11.408 -17.593 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.322 -9.618 -15.981 1.00 0.00 H new ATOM 260 N ASN A 17 -2.771 -14.808 -18.018 1.00 0.00 N ATOM 261 CA ASN A 17 -2.937 -14.316 -19.372 1.00 0.00 C ATOM 262 C ASN A 17 -4.405 -14.114 -19.697 1.00 0.00 C ATOM 263 O ASN A 17 -4.765 -13.124 -20.337 1.00 0.00 O ATOM 264 CB ASN A 17 -2.302 -15.291 -20.371 1.00 0.00 C ATOM 265 CG ASN A 17 -2.812 -15.021 -21.784 1.00 0.00 C ATOM 266 OD1 ASN A 17 -3.808 -15.611 -22.206 1.00 0.00 O ATOM 267 ND2 ASN A 17 -2.200 -14.151 -22.536 1.00 0.00 N ATOM 0 H ASN A 17 -2.344 -15.732 -17.953 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.434 -13.352 -19.450 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.217 -15.191 -20.345 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.535 -16.317 -20.084 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.545 -13.957 -23.476 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.376 -13.664 -22.185 1.00 0.00 H new ATOM 274 N TYR A 18 -5.259 -15.055 -19.302 1.00 0.00 N ATOM 275 CA TYR A 18 -6.674 -14.986 -19.604 1.00 0.00 C ATOM 276 C TYR A 18 -7.308 -13.744 -19.017 1.00 0.00 C ATOM 277 O TYR A 18 -7.951 -12.955 -19.707 1.00 0.00 O ATOM 278 CB TYR A 18 -7.372 -16.244 -19.075 1.00 0.00 C ATOM 279 CG TYR A 18 -8.867 -16.105 -19.249 1.00 0.00 C ATOM 280 CD1 TYR A 18 -9.483 -16.551 -20.425 1.00 0.00 C ATOM 281 CD2 TYR A 18 -9.632 -15.518 -18.241 1.00 0.00 C ATOM 282 CE1 TYR A 18 -10.867 -16.410 -20.585 1.00 0.00 C ATOM 283 CE2 TYR A 18 -11.013 -15.373 -18.398 1.00 0.00 C ATOM 284 CZ TYR A 18 -11.632 -15.821 -19.570 1.00 0.00 C ATOM 285 OH TYR A 18 -12.996 -15.683 -19.725 1.00 0.00 O ATOM 0 H TYR A 18 -4.985 -15.879 -18.767 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.792 -14.931 -20.686 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -7.014 -17.123 -19.610 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -7.130 -16.391 -18.022 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -8.891 -17.003 -21.207 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -9.155 -15.174 -17.335 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -11.344 -16.755 -21.490 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.601 -14.916 -17.616 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.329 -15.003 -19.102 1.00 0.00 H new ATOM 295 N LYS A 19 -7.119 -13.591 -17.715 1.00 0.00 N ATOM 296 CA LYS A 19 -7.678 -12.469 -16.991 1.00 0.00 C ATOM 297 C LYS A 19 -7.114 -11.159 -17.505 1.00 0.00 C ATOM 298 O LYS A 19 -7.824 -10.161 -17.622 1.00 0.00 O ATOM 299 CB LYS A 19 -7.382 -12.603 -15.496 1.00 0.00 C ATOM 300 CG LYS A 19 -7.914 -13.937 -14.954 1.00 0.00 C ATOM 301 CD LYS A 19 -9.433 -13.862 -14.764 1.00 0.00 C ATOM 302 CE LYS A 19 -9.937 -15.174 -14.166 1.00 0.00 C ATOM 303 NZ LYS A 19 -11.415 -15.099 -13.996 1.00 0.00 N ATOM 0 H LYS A 19 -6.579 -14.236 -17.139 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.757 -12.471 -17.147 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.307 -12.539 -15.326 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.841 -11.776 -14.954 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.666 -14.743 -15.644 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.432 -14.170 -14.004 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.687 -13.030 -14.108 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.921 -13.675 -15.720 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.676 -16.008 -14.817 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.457 -15.357 -13.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.653 -15.187 -12.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.760 -14.186 -14.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.865 -15.872 -14.526 1.00 0.00 H new ATOM 317 N SER A 20 -5.822 -11.166 -17.801 1.00 0.00 N ATOM 318 CA SER A 20 -5.164 -9.970 -18.293 1.00 0.00 C ATOM 319 C SER A 20 -5.807 -9.436 -19.573 1.00 0.00 C ATOM 320 O SER A 20 -6.041 -8.240 -19.737 1.00 0.00 O ATOM 321 CB SER A 20 -3.677 -10.220 -18.523 1.00 0.00 C ATOM 322 OG SER A 20 -3.065 -10.602 -17.300 1.00 0.00 O ATOM 0 H SER A 20 -5.215 -11.981 -17.709 1.00 0.00 H new ATOM 0 HA SER A 20 -5.284 -9.210 -17.521 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.540 -11.002 -19.270 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.202 -9.320 -18.914 1.00 0.00 H new ATOM 0 HG SER A 20 -3.406 -11.478 -17.024 1.00 0.00 H new ATOM 328 N ASN A 21 -6.120 -10.392 -20.453 1.00 0.00 N ATOM 329 CA ASN A 21 -6.786 -10.083 -21.716 1.00 0.00 C ATOM 330 C ASN A 21 -8.169 -9.501 -21.456 1.00 0.00 C ATOM 331 O ASN A 21 -8.613 -8.605 -22.173 1.00 0.00 O ATOM 332 CB ASN A 21 -6.914 -11.339 -22.583 1.00 0.00 C ATOM 333 CG ASN A 21 -7.615 -10.989 -23.894 1.00 0.00 C ATOM 334 OD1 ASN A 21 -7.221 -10.042 -24.578 1.00 0.00 O ATOM 335 ND2 ASN A 21 -8.637 -11.698 -24.289 1.00 0.00 N ATOM 0 H ASN A 21 -5.922 -11.383 -20.312 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.180 -9.349 -22.247 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.927 -11.754 -22.787 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.478 -12.104 -22.050 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.109 -11.469 -25.163 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.963 -12.482 -23.723 1.00 0.00 H new ATOM 342 N VAL A 22 -8.850 -10.004 -20.426 1.00 0.00 N ATOM 343 CA VAL A 22 -10.188 -9.525 -20.076 1.00 0.00 C ATOM 344 C VAL A 22 -10.133 -8.065 -19.642 1.00 0.00 C ATOM 345 O VAL A 22 -10.924 -7.242 -20.100 1.00 0.00 O ATOM 346 CB VAL A 22 -10.760 -10.375 -18.946 1.00 0.00 C ATOM 347 CG1 VAL A 22 -12.104 -9.794 -18.501 1.00 0.00 C ATOM 348 CG2 VAL A 22 -10.966 -11.809 -19.441 1.00 0.00 C ATOM 0 H VAL A 22 -8.497 -10.744 -19.819 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.830 -9.607 -20.953 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.066 -10.375 -18.105 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.513 -10.401 -17.693 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.960 -8.772 -18.150 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.797 -9.794 -19.342 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.375 -12.417 -18.634 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.660 -11.808 -20.282 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.010 -12.225 -19.760 1.00 0.00 H new ATOM 358 N CYS A 23 -9.190 -7.752 -18.759 1.00 0.00 N ATOM 359 CA CYS A 23 -9.035 -6.384 -18.272 1.00 0.00 C ATOM 360 C CYS A 23 -8.574 -5.489 -19.407 1.00 0.00 C ATOM 361 O CYS A 23 -9.036 -4.349 -19.503 1.00 0.00 O ATOM 362 CB CYS A 23 -7.995 -6.327 -17.149 1.00 0.00 C ATOM 363 SG CYS A 23 -8.679 -6.988 -15.603 1.00 0.00 S ATOM 0 H CYS A 23 -8.526 -8.420 -18.368 1.00 0.00 H new ATOM 0 HA CYS A 23 -9.997 -6.044 -17.890 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -7.112 -6.899 -17.435 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.672 -5.297 -16.998 1.00 0.00 H new ATOM 368 N ASN A 24 -7.685 -5.948 -20.260 1.00 0.00 N ATOM 369 CA ASN A 24 -7.198 -5.132 -21.357 1.00 0.00 C ATOM 370 C ASN A 24 -8.319 -4.799 -22.317 1.00 0.00 C ATOM 371 O ASN A 24 -8.272 -3.761 -22.986 1.00 0.00 O ATOM 372 CB ASN A 24 -6.081 -5.867 -22.088 1.00 0.00 C ATOM 373 CG ASN A 24 -5.525 -5.002 -23.211 1.00 0.00 C ATOM 374 OD1 ASN A 24 -5.382 -3.790 -23.050 1.00 0.00 O ATOM 375 ND2 ASN A 24 -5.206 -5.555 -24.348 1.00 0.00 N ATOM 0 H ASN A 24 -7.282 -6.884 -20.217 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.809 -4.198 -20.951 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.285 -6.122 -21.388 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.459 -6.805 -22.495 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.837 -4.983 -25.107 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.326 -6.560 -24.478 1.00 0.00 H new ATOM 382 N GLY A 25 -9.332 -5.665 -22.408 1.00 0.00 N ATOM 383 CA GLY A 25 -10.448 -5.418 -23.307 1.00 0.00 C ATOM 384 C GLY A 25 -11.493 -4.544 -22.647 1.00 0.00 C ATOM 385 O GLY A 25 -12.562 -4.314 -23.215 1.00 0.00 O ATOM 0 H GLY A 25 -9.397 -6.532 -21.874 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.088 -4.937 -24.216 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.897 -6.366 -23.605 1.00 0.00 H new ATOM 389 N CYS A 26 -11.225 -4.113 -21.410 1.00 0.00 N ATOM 390 CA CYS A 26 -12.192 -3.349 -20.645 1.00 0.00 C ATOM 391 C CYS A 26 -12.261 -1.918 -21.085 1.00 0.00 C ATOM 392 O CYS A 26 -13.356 -1.350 -21.117 1.00 0.00 O ATOM 393 CB CYS A 26 -11.874 -3.400 -19.153 1.00 0.00 C ATOM 394 SG CYS A 26 -13.220 -2.572 -18.258 1.00 0.00 S ATOM 0 H CYS A 26 -10.344 -4.285 -20.925 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.162 -3.811 -20.828 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -11.775 -4.433 -18.820 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.923 -2.908 -18.950 1.00 0.00 H new ATOM 399 N GLY A 27 -11.160 -1.336 -21.533 1.00 0.00 N ATOM 400 CA GLY A 27 -11.156 0.013 -22.048 1.00 0.00 C ATOM 401 C GLY A 27 -10.104 0.864 -21.342 1.00 0.00 C ATOM 402 O GLY A 27 -8.917 0.537 -21.367 1.00 0.00 O ATOM 0 H GLY A 27 -10.247 -1.790 -21.547 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.957 -0.003 -23.119 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.141 0.460 -21.914 1.00 0.00 H new ATOM 406 N ASP A 28 -10.542 1.946 -20.697 1.00 0.00 N ATOM 407 CA ASP A 28 -9.621 2.833 -19.971 1.00 0.00 C ATOM 408 C ASP A 28 -9.593 2.443 -18.492 1.00 0.00 C ATOM 409 O ASP A 28 -9.032 3.166 -17.670 1.00 0.00 O ATOM 410 CB ASP A 28 -10.084 4.277 -20.129 1.00 0.00 C ATOM 411 CG ASP A 28 -9.910 4.721 -21.576 1.00 0.00 C ATOM 412 OD1 ASP A 28 -9.199 4.043 -22.301 1.00 0.00 O ATOM 413 OD2 ASP A 28 -10.494 5.727 -21.941 1.00 0.00 O ATOM 0 H ASP A 28 -11.521 2.231 -20.660 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.615 2.735 -20.379 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.130 4.367 -19.835 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.510 4.927 -19.468 1.00 0.00 H new ATOM 418 N GLN A 29 -10.168 1.303 -18.158 1.00 0.00 N ATOM 419 CA GLN A 29 -10.169 0.832 -16.770 1.00 0.00 C ATOM 420 C GLN A 29 -9.100 -0.232 -16.582 1.00 0.00 C ATOM 421 O GLN A 29 -9.065 -0.912 -15.560 1.00 0.00 O ATOM 422 CB GLN A 29 -11.533 0.267 -16.401 1.00 0.00 C ATOM 423 CG GLN A 29 -12.624 1.279 -16.765 1.00 0.00 C ATOM 424 CD GLN A 29 -12.873 1.255 -18.270 1.00 0.00 C ATOM 425 OE1 GLN A 29 -12.973 0.183 -18.865 1.00 0.00 O ATOM 426 NE2 GLN A 29 -12.975 2.380 -18.923 1.00 0.00 N ATOM 0 H GLN A 29 -10.639 0.684 -18.817 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.952 1.677 -16.116 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.703 -0.672 -16.928 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.570 0.045 -15.334 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.545 1.042 -16.231 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.323 2.279 -16.453 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.892 3.267 -18.427 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.138 2.372 -19.930 1.00 0.00 H new ATOM 435 N VAL A 30 -8.253 -0.394 -17.593 1.00 0.00 N ATOM 436 CA VAL A 30 -7.212 -1.414 -17.536 1.00 0.00 C ATOM 437 C VAL A 30 -6.530 -1.440 -16.183 1.00 0.00 C ATOM 438 O VAL A 30 -6.412 -2.500 -15.561 1.00 0.00 O ATOM 439 CB VAL A 30 -6.149 -1.150 -18.605 1.00 0.00 C ATOM 440 CG1 VAL A 30 -5.286 -2.397 -18.814 1.00 0.00 C ATOM 441 CG2 VAL A 30 -6.822 -0.761 -19.914 1.00 0.00 C ATOM 0 H VAL A 30 -8.265 0.159 -18.450 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.696 -2.375 -17.711 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.509 -0.333 -18.272 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.534 -2.195 -19.577 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.792 -2.659 -17.878 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.916 -3.226 -19.136 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.062 -0.574 -20.672 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.472 -1.571 -20.244 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.415 0.141 -19.764 1.00 0.00 H new ATOM 451 N ALA A 31 -6.053 -0.280 -15.729 1.00 0.00 N ATOM 452 CA ALA A 31 -5.351 -0.198 -14.476 1.00 0.00 C ATOM 453 C ALA A 31 -6.232 -0.525 -13.293 1.00 0.00 C ATOM 454 O ALA A 31 -5.808 -1.208 -12.361 1.00 0.00 O ATOM 455 CB ALA A 31 -4.651 1.153 -14.312 1.00 0.00 C ATOM 0 H ALA A 31 -6.147 0.609 -16.221 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.578 -0.966 -14.500 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.131 1.179 -13.354 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.932 1.291 -15.119 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.391 1.953 -14.345 1.00 0.00 H new ATOM 461 N ALA A 32 -7.473 -0.037 -13.334 1.00 0.00 N ATOM 462 CA ALA A 32 -8.416 -0.289 -12.271 1.00 0.00 C ATOM 463 C ALA A 32 -8.738 -1.786 -12.222 1.00 0.00 C ATOM 464 O ALA A 32 -8.823 -2.396 -11.159 1.00 0.00 O ATOM 465 CB ALA A 32 -9.710 0.494 -12.549 1.00 0.00 C ATOM 0 H ALA A 32 -7.838 0.534 -14.097 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.988 0.026 -11.319 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.427 0.308 -11.749 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.487 1.560 -12.596 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.134 0.170 -13.499 1.00 0.00 H new ATOM 471 N CYS A 33 -8.911 -2.346 -13.416 1.00 0.00 N ATOM 472 CA CYS A 33 -9.229 -3.765 -13.539 1.00 0.00 C ATOM 473 C CYS A 33 -8.075 -4.633 -13.071 1.00 0.00 C ATOM 474 O CYS A 33 -8.263 -5.718 -12.513 1.00 0.00 O ATOM 475 CB CYS A 33 -9.583 -4.120 -14.981 1.00 0.00 C ATOM 476 SG CYS A 33 -10.235 -5.808 -15.089 1.00 0.00 S ATOM 0 H CYS A 33 -8.838 -1.846 -14.302 1.00 0.00 H new ATOM 0 HA CYS A 33 -10.091 -3.959 -12.901 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.322 -3.415 -15.363 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -8.698 -4.026 -15.611 1.00 0.00 H new ATOM 481 N GLU A 34 -6.855 -4.138 -13.305 1.00 0.00 N ATOM 482 CA GLU A 34 -5.656 -4.850 -12.925 1.00 0.00 C ATOM 483 C GLU A 34 -5.345 -4.635 -11.470 1.00 0.00 C ATOM 484 O GLU A 34 -4.519 -5.355 -10.906 1.00 0.00 O ATOM 485 CB GLU A 34 -4.466 -4.374 -13.768 1.00 0.00 C ATOM 486 CG GLU A 34 -4.507 -5.024 -15.147 1.00 0.00 C ATOM 487 CD GLU A 34 -3.459 -4.403 -16.053 1.00 0.00 C ATOM 488 OE1 GLU A 34 -3.392 -4.806 -17.203 1.00 0.00 O ATOM 489 OE2 GLU A 34 -2.738 -3.538 -15.588 1.00 0.00 O ATOM 0 H GLU A 34 -6.684 -3.241 -13.759 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.828 -5.912 -13.100 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.492 -3.289 -13.868 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.531 -4.625 -13.267 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.331 -6.096 -15.057 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.497 -4.900 -15.586 1.00 0.00 H new ATOM 496 N ALA A 35 -5.937 -3.630 -10.840 1.00 0.00 N ATOM 497 CA ALA A 35 -5.644 -3.278 -9.476 1.00 0.00 C ATOM 498 C ALA A 35 -5.623 -4.473 -8.544 1.00 0.00 C ATOM 499 O ALA A 35 -4.599 -4.767 -7.931 1.00 0.00 O ATOM 500 CB ALA A 35 -6.744 -2.346 -8.953 1.00 0.00 C ATOM 0 H ALA A 35 -6.642 -3.035 -11.276 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.657 -2.815 -9.485 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.530 -2.074 -7.919 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.779 -1.445 -9.565 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.706 -2.856 -9.002 1.00 0.00 H new ATOM 506 N GLU A 36 -6.751 -5.149 -8.436 1.00 0.00 N ATOM 507 CA GLU A 36 -6.853 -6.279 -7.522 1.00 0.00 C ATOM 508 C GLU A 36 -6.691 -7.624 -8.212 1.00 0.00 C ATOM 509 O GLU A 36 -7.445 -8.559 -7.955 1.00 0.00 O ATOM 510 CB GLU A 36 -8.190 -6.223 -6.795 1.00 0.00 C ATOM 511 CG GLU A 36 -8.286 -4.916 -6.000 1.00 0.00 C ATOM 512 CD GLU A 36 -7.258 -4.906 -4.875 1.00 0.00 C ATOM 513 OE1 GLU A 36 -6.932 -3.827 -4.406 1.00 0.00 O ATOM 514 OE2 GLU A 36 -6.818 -5.977 -4.490 1.00 0.00 O ATOM 0 H GLU A 36 -7.601 -4.942 -8.960 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.029 -6.194 -6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.009 -6.286 -7.512 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.287 -7.077 -6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.119 -4.066 -6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.289 -4.806 -5.587 1.00 0.00 H new ATOM 521 N CYS A 37 -5.737 -7.706 -9.136 1.00 0.00 N ATOM 522 CA CYS A 37 -5.534 -8.935 -9.884 1.00 0.00 C ATOM 523 C CYS A 37 -6.846 -9.364 -10.523 1.00 0.00 C ATOM 524 O CYS A 37 -7.185 -10.545 -10.547 1.00 0.00 O ATOM 525 CB CYS A 37 -4.987 -10.048 -8.974 1.00 0.00 C ATOM 526 SG CYS A 37 -3.394 -10.615 -9.567 1.00 0.00 S ATOM 0 H CYS A 37 -5.102 -6.945 -9.380 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.797 -8.753 -10.666 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.891 -9.677 -7.953 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.689 -10.881 -8.946 1.00 0.00 H new ATOM 531 N PHE A 38 -7.574 -8.421 -11.086 1.00 0.00 N ATOM 532 CA PHE A 38 -8.819 -8.735 -11.749 1.00 0.00 C ATOM 533 C PHE A 38 -9.875 -9.126 -10.746 1.00 0.00 C ATOM 534 O PHE A 38 -10.943 -9.608 -11.120 1.00 0.00 O ATOM 535 CB PHE A 38 -8.629 -9.831 -12.826 1.00 0.00 C ATOM 536 CG PHE A 38 -7.167 -9.933 -13.190 1.00 0.00 C ATOM 537 CD1 PHE A 38 -6.493 -8.823 -13.697 1.00 0.00 C ATOM 538 CD2 PHE A 38 -6.473 -11.140 -12.998 1.00 0.00 C ATOM 539 CE1 PHE A 38 -5.139 -8.922 -14.019 1.00 0.00 C ATOM 540 CE2 PHE A 38 -5.122 -11.230 -13.322 1.00 0.00 C ATOM 541 CZ PHE A 38 -4.456 -10.119 -13.832 1.00 0.00 C ATOM 0 H PHE A 38 -7.324 -7.432 -11.097 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.160 -7.836 -12.263 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.989 -10.789 -12.452 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.219 -9.592 -13.711 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.017 -7.890 -13.840 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.989 -12.000 -12.598 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.618 -8.063 -14.416 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.592 -12.160 -13.178 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.408 -10.187 -14.083 1.00 0.00 H new ATOM 551 N ARG A 39 -9.591 -8.910 -9.462 1.00 0.00 N ATOM 552 CA ARG A 39 -10.530 -9.213 -8.397 1.00 0.00 C ATOM 553 C ARG A 39 -11.226 -7.915 -7.970 1.00 0.00 C ATOM 554 O ARG A 39 -10.929 -7.346 -6.922 1.00 0.00 O ATOM 555 CB ARG A 39 -9.801 -9.835 -7.200 1.00 0.00 C ATOM 556 CG ARG A 39 -10.814 -10.547 -6.294 1.00 0.00 C ATOM 557 CD ARG A 39 -10.982 -11.994 -6.755 1.00 0.00 C ATOM 558 NE ARG A 39 -11.989 -12.662 -5.951 1.00 0.00 N ATOM 559 CZ ARG A 39 -12.408 -13.882 -6.257 1.00 0.00 C ATOM 560 NH1 ARG A 39 -13.313 -14.463 -5.520 1.00 0.00 N ATOM 561 NH2 ARG A 39 -11.915 -14.500 -7.295 1.00 0.00 N ATOM 0 H ARG A 39 -8.705 -8.521 -9.138 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.268 -9.930 -8.756 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.048 -10.543 -7.547 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.277 -9.062 -6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.473 -10.521 -5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.773 -10.030 -6.327 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.271 -12.017 -7.806 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.032 -12.522 -6.674 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.380 -12.186 -5.138 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.698 -13.979 -4.709 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.636 -15.402 -5.755 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.207 -14.044 -7.871 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.237 -15.439 -7.530 1.00 0.00 H new ATOM 575 N ASN A 40 -12.165 -7.482 -8.799 1.00 0.00 N ATOM 576 CA ASN A 40 -12.919 -6.250 -8.504 1.00 0.00 C ATOM 577 C ASN A 40 -14.215 -6.223 -9.294 1.00 0.00 C ATOM 578 O ASN A 40 -14.454 -7.070 -10.161 1.00 0.00 O ATOM 579 CB ASN A 40 -12.055 -5.032 -8.836 1.00 0.00 C ATOM 580 CG ASN A 40 -11.869 -4.918 -10.332 1.00 0.00 C ATOM 581 OD1 ASN A 40 -12.256 -5.814 -11.074 1.00 0.00 O ATOM 582 ND2 ASN A 40 -11.289 -3.864 -10.825 1.00 0.00 N ATOM 0 H ASN A 40 -12.427 -7.948 -9.668 1.00 0.00 H new ATOM 0 HA ASN A 40 -13.171 -6.225 -7.444 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.525 -4.127 -8.450 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.085 -5.121 -8.347 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.154 -3.780 -11.833 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -10.969 -3.121 -10.204 1.00 0.00 H new ATOM 589 N ASP A 41 -15.078 -5.255 -8.959 1.00 0.00 N ATOM 590 CA ASP A 41 -16.369 -5.156 -9.617 1.00 0.00 C ATOM 591 C ASP A 41 -16.183 -4.732 -11.057 1.00 0.00 C ATOM 592 O ASP A 41 -16.966 -5.148 -11.914 1.00 0.00 O ATOM 593 CB ASP A 41 -17.262 -4.154 -8.877 1.00 0.00 C ATOM 594 CG ASP A 41 -17.363 -4.523 -7.403 1.00 0.00 C ATOM 595 OD1 ASP A 41 -17.185 -5.688 -7.093 1.00 0.00 O ATOM 596 OD2 ASP A 41 -17.609 -3.633 -6.606 1.00 0.00 O ATOM 0 H ASP A 41 -14.902 -4.545 -8.248 1.00 0.00 H new ATOM 0 HA ASP A 41 -16.853 -6.132 -9.599 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -16.854 -3.148 -8.980 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -18.256 -4.142 -9.325 1.00 0.00 H new ATOM 601 N VAL A 42 -15.162 -3.946 -11.367 1.00 0.00 N ATOM 602 CA VAL A 42 -14.894 -3.540 -12.726 1.00 0.00 C ATOM 603 C VAL A 42 -14.573 -4.768 -13.576 1.00 0.00 C ATOM 604 O VAL A 42 -15.056 -4.899 -14.699 1.00 0.00 O ATOM 605 CB VAL A 42 -13.739 -2.543 -12.765 1.00 0.00 C ATOM 606 CG1 VAL A 42 -13.221 -2.390 -14.188 1.00 0.00 C ATOM 607 CG2 VAL A 42 -14.204 -1.182 -12.245 1.00 0.00 C ATOM 0 H VAL A 42 -14.503 -3.577 -10.682 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.779 -3.051 -13.133 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.936 -2.919 -12.131 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.398 -1.676 -14.201 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.870 -3.355 -14.553 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.024 -2.029 -14.831 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.373 -0.477 -12.277 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.017 -0.812 -12.870 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.553 -1.285 -11.218 1.00 0.00 H new ATOM 617 N TYR A 43 -13.764 -5.675 -13.027 1.00 0.00 N ATOM 618 CA TYR A 43 -13.406 -6.894 -13.728 1.00 0.00 C ATOM 619 C TYR A 43 -14.682 -7.631 -14.094 1.00 0.00 C ATOM 620 O TYR A 43 -14.859 -8.037 -15.243 1.00 0.00 O ATOM 621 CB TYR A 43 -12.539 -7.785 -12.821 1.00 0.00 C ATOM 622 CG TYR A 43 -12.404 -9.162 -13.428 1.00 0.00 C ATOM 623 CD1 TYR A 43 -13.082 -10.248 -12.857 1.00 0.00 C ATOM 624 CD2 TYR A 43 -11.615 -9.351 -14.564 1.00 0.00 C ATOM 625 CE1 TYR A 43 -12.965 -11.521 -13.422 1.00 0.00 C ATOM 626 CE2 TYR A 43 -11.497 -10.624 -15.127 1.00 0.00 C ATOM 627 CZ TYR A 43 -12.172 -11.709 -14.558 1.00 0.00 C ATOM 628 OH TYR A 43 -12.057 -12.964 -15.118 1.00 0.00 O ATOM 0 H TYR A 43 -13.348 -5.583 -12.100 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.840 -6.651 -14.627 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -11.554 -7.337 -12.692 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -12.989 -7.857 -11.831 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -13.695 -10.101 -11.980 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -11.096 -8.514 -15.007 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -13.486 -12.358 -12.982 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -10.883 -10.771 -16.003 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.911 -12.879 -16.083 1.00 0.00 H new ATOM 638 N THR A 44 -15.567 -7.796 -13.121 1.00 0.00 N ATOM 639 CA THR A 44 -16.819 -8.479 -13.372 1.00 0.00 C ATOM 640 C THR A 44 -17.605 -7.799 -14.482 1.00 0.00 C ATOM 641 O THR A 44 -18.042 -8.426 -15.429 1.00 0.00 O ATOM 642 CB THR A 44 -17.665 -8.568 -12.103 1.00 0.00 C ATOM 643 OG1 THR A 44 -17.001 -9.407 -11.171 1.00 0.00 O ATOM 644 CG2 THR A 44 -19.047 -9.152 -12.428 1.00 0.00 C ATOM 0 H THR A 44 -15.440 -7.469 -12.163 1.00 0.00 H new ATOM 0 HA THR A 44 -16.577 -9.492 -13.694 1.00 0.00 H new ATOM 0 HB THR A 44 -17.798 -7.571 -11.682 1.00 0.00 H new ATOM 0 HG1 THR A 44 -17.534 -9.471 -10.351 1.00 0.00 H new ATOM 0 HG21 THR A 44 -19.641 -9.211 -11.516 1.00 0.00 H new ATOM 0 HG22 THR A 44 -19.553 -8.510 -13.150 1.00 0.00 H new ATOM 0 HG23 THR A 44 -18.930 -10.150 -12.850 1.00 0.00 H new ATOM 652 N ALA A 45 -17.755 -6.474 -14.367 1.00 0.00 N ATOM 653 CA ALA A 45 -18.462 -5.641 -15.340 1.00 0.00 C ATOM 654 C ALA A 45 -17.838 -5.817 -16.718 1.00 0.00 C ATOM 655 O ALA A 45 -18.540 -5.993 -17.705 1.00 0.00 O ATOM 656 CB ALA A 45 -18.295 -4.175 -14.896 1.00 0.00 C ATOM 0 H ALA A 45 -17.381 -5.944 -13.580 1.00 0.00 H new ATOM 0 HA ALA A 45 -19.514 -5.921 -15.391 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.810 -3.521 -15.599 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.721 -4.045 -13.901 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -17.235 -3.920 -14.873 1.00 0.00 H new ATOM 662 N CYS A 46 -16.496 -5.771 -16.764 1.00 0.00 N ATOM 663 CA CYS A 46 -15.794 -5.920 -18.040 1.00 0.00 C ATOM 664 C CYS A 46 -15.929 -7.345 -18.573 1.00 0.00 C ATOM 665 O CYS A 46 -16.158 -7.568 -19.766 1.00 0.00 O ATOM 666 CB CYS A 46 -14.309 -5.524 -17.898 1.00 0.00 C ATOM 667 SG CYS A 46 -14.207 -3.906 -17.083 1.00 0.00 S ATOM 0 H CYS A 46 -15.893 -5.635 -15.953 1.00 0.00 H new ATOM 0 HA CYS A 46 -16.256 -5.246 -18.761 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -13.773 -6.274 -17.316 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -13.835 -5.483 -18.878 1.00 0.00 H new ATOM 672 N HIS A 47 -15.768 -8.310 -17.669 1.00 0.00 N ATOM 673 CA HIS A 47 -15.840 -9.713 -18.048 1.00 0.00 C ATOM 674 C HIS A 47 -17.244 -10.070 -18.491 1.00 0.00 C ATOM 675 O HIS A 47 -17.429 -10.776 -19.482 1.00 0.00 O ATOM 676 CB HIS A 47 -15.419 -10.596 -16.871 1.00 0.00 C ATOM 677 CG HIS A 47 -15.308 -12.024 -17.328 1.00 0.00 C ATOM 678 ND1 HIS A 47 -15.895 -13.070 -16.634 1.00 0.00 N ATOM 679 CD2 HIS A 47 -14.680 -12.594 -18.406 1.00 0.00 C ATOM 680 CE1 HIS A 47 -15.611 -14.205 -17.298 1.00 0.00 C ATOM 681 NE2 HIS A 47 -14.873 -13.971 -18.386 1.00 0.00 N ATOM 0 H HIS A 47 -15.589 -8.145 -16.679 1.00 0.00 H new ATOM 0 HA HIS A 47 -15.159 -9.884 -18.882 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -14.464 -10.256 -16.471 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -16.148 -10.517 -16.065 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -16.442 -12.993 -15.777 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -14.121 -12.055 -19.156 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -15.940 -15.186 -16.989 1.00 0.00 H new ATOM 689 N GLU A 48 -18.235 -9.583 -17.759 1.00 0.00 N ATOM 690 CA GLU A 48 -19.625 -9.849 -18.081 1.00 0.00 C ATOM 691 C GLU A 48 -20.028 -9.141 -19.364 1.00 0.00 C ATOM 692 O GLU A 48 -20.964 -9.557 -20.047 1.00 0.00 O ATOM 693 CB GLU A 48 -20.524 -9.407 -16.932 1.00 0.00 C ATOM 694 CG GLU A 48 -20.164 -10.188 -15.654 1.00 0.00 C ATOM 695 CD GLU A 48 -20.790 -11.579 -15.680 1.00 0.00 C ATOM 696 OE1 GLU A 48 -20.450 -12.372 -14.819 1.00 0.00 O ATOM 697 OE2 GLU A 48 -21.586 -11.837 -16.567 1.00 0.00 O ATOM 0 H GLU A 48 -18.099 -8.999 -16.934 1.00 0.00 H new ATOM 0 HA GLU A 48 -19.742 -10.922 -18.231 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -20.408 -8.337 -16.759 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -21.569 -9.577 -17.190 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -19.081 -10.272 -15.566 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -20.513 -9.642 -14.777 1.00 0.00 H new ATOM 704 N ALA A 49 -19.340 -8.038 -19.668 1.00 0.00 N ATOM 705 CA ALA A 49 -19.654 -7.241 -20.845 1.00 0.00 C ATOM 706 C ALA A 49 -19.096 -7.898 -22.092 1.00 0.00 C ATOM 707 O ALA A 49 -19.585 -7.658 -23.197 1.00 0.00 O ATOM 708 CB ALA A 49 -19.056 -5.840 -20.697 1.00 0.00 C ATOM 0 H ALA A 49 -18.563 -7.681 -19.112 1.00 0.00 H new ATOM 0 HA ALA A 49 -20.738 -7.168 -20.937 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.294 -5.248 -21.581 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.474 -5.358 -19.813 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -17.974 -5.916 -20.592 1.00 0.00 H new ATOM 714 N GLN A 50 -18.072 -8.734 -21.916 1.00 0.00 N ATOM 715 CA GLN A 50 -17.465 -9.428 -23.053 1.00 0.00 C ATOM 716 C GLN A 50 -18.137 -10.780 -23.267 1.00 0.00 C ATOM 717 O GLN A 50 -18.331 -11.553 -22.329 1.00 0.00 O ATOM 718 CB GLN A 50 -15.968 -9.602 -22.804 1.00 0.00 C ATOM 719 CG GLN A 50 -15.288 -8.236 -22.794 1.00 0.00 C ATOM 720 CD GLN A 50 -15.343 -7.625 -24.186 1.00 0.00 C ATOM 721 OE1 GLN A 50 -15.008 -8.288 -25.167 1.00 0.00 O ATOM 722 NE2 GLN A 50 -15.748 -6.394 -24.333 1.00 0.00 N ATOM 0 H GLN A 50 -17.650 -8.945 -21.012 1.00 0.00 H new ATOM 0 HA GLN A 50 -17.606 -8.834 -23.956 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -15.804 -10.108 -21.853 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -15.531 -10.231 -23.579 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -15.782 -7.579 -22.078 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -14.252 -8.337 -22.472 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -16.025 -5.847 -23.518 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.788 -5.978 -25.263 1.00 0.00 H new ATOM 731 N LYS A 51 -18.461 -11.071 -24.529 1.00 0.00 N ATOM 732 CA LYS A 51 -19.083 -12.342 -24.880 1.00 0.00 C ATOM 733 C LYS A 51 -18.102 -13.491 -24.662 1.00 0.00 C ATOM 734 O LYS A 51 -18.556 -14.612 -24.508 1.00 0.00 O ATOM 735 CB LYS A 51 -19.526 -12.324 -26.346 1.00 0.00 C ATOM 736 CG LYS A 51 -20.672 -11.326 -26.517 1.00 0.00 C ATOM 737 CD LYS A 51 -21.109 -11.297 -27.983 1.00 0.00 C ATOM 738 CE LYS A 51 -22.267 -10.313 -28.149 1.00 0.00 C ATOM 739 NZ LYS A 51 -22.702 -10.293 -29.575 1.00 0.00 N ATOM 0 H LYS A 51 -18.303 -10.445 -25.319 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.953 -12.488 -24.240 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -18.689 -12.047 -26.987 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.847 -13.319 -26.653 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.512 -11.608 -25.882 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.353 -10.332 -26.202 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.273 -11.002 -28.617 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.415 -12.293 -28.302 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -23.099 -10.603 -27.508 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.958 -9.315 -27.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.490 -9.624 -29.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -21.907 -9.997 -30.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.013 -11.245 -29.856 1.00 0.00 H new TER 753 LYS A 51