USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 426 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 NoAdj-H: A 18 HIS HD1 : A 18 HIS ND1 : A 60 ZNZN :(H bumps) USER MOD Set 1.1: A 4 THR OG1 : rot 180:sc= -0.181 USER MOD Set 1.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 161:sc= -0.82 (180deg=-2.62) USER MOD Single : A 50 SER OG : rot -40:sc= -0.12! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00226 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -24.117 9.279 0.838 1.00 0.00 N ATOM 2 CA ALA A 2 -23.014 10.264 0.979 1.00 0.00 C ATOM 3 C ALA A 2 -21.791 9.835 0.173 1.00 0.00 C ATOM 4 O ALA A 2 -20.813 9.336 0.729 1.00 0.00 O ATOM 5 CB ALA A 2 -22.645 10.438 2.444 1.00 0.00 C ATOM 0 HA ALA A 2 -23.361 11.220 0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -21.835 11.163 2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -23.513 10.795 2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -22.321 9.481 2.854 1.00 0.00 H new ATOM 13 N SER A 3 -21.855 10.034 -1.139 1.00 0.00 N ATOM 14 CA SER A 3 -20.754 9.668 -2.022 1.00 0.00 C ATOM 15 C SER A 3 -19.716 10.782 -2.086 1.00 0.00 C ATOM 16 O SER A 3 -19.986 11.869 -2.598 1.00 0.00 O ATOM 17 CB SER A 3 -21.278 9.362 -3.427 1.00 0.00 C ATOM 18 OG SER A 3 -21.811 8.051 -3.498 1.00 0.00 O ATOM 0 H SER A 3 -22.658 10.447 -1.614 1.00 0.00 H new ATOM 0 HA SER A 3 -20.278 8.775 -1.617 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.047 10.086 -3.697 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.470 9.469 -4.151 1.00 0.00 H new ATOM 0 HG SER A 3 -22.141 7.881 -4.405 1.00 0.00 H new ATOM 24 N THR A 4 -18.524 10.506 -1.564 1.00 0.00 N ATOM 25 CA THR A 4 -17.444 11.485 -1.562 1.00 0.00 C ATOM 26 C THR A 4 -16.519 11.277 -2.756 1.00 0.00 C ATOM 27 O THR A 4 -16.338 12.176 -3.578 1.00 0.00 O ATOM 28 CB THR A 4 -16.647 11.393 -0.260 1.00 0.00 C ATOM 29 OG1 THR A 4 -16.129 10.086 -0.081 1.00 0.00 O ATOM 30 CG2 THR A 4 -17.463 11.735 0.967 1.00 0.00 C ATOM 0 H THR A 4 -18.283 9.612 -1.137 1.00 0.00 H new ATOM 0 HA THR A 4 -17.887 12.478 -1.638 1.00 0.00 H new ATOM 0 HB THR A 4 -15.846 12.126 -0.359 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.621 10.047 0.756 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.837 11.650 1.855 1.00 0.00 H new ATOM 0 HG22 THR A 4 -17.837 12.756 0.883 1.00 0.00 H new ATOM 0 HG23 THR A 4 -18.304 11.046 1.048 1.00 0.00 H new ATOM 38 N SER A 5 -15.935 10.087 -2.845 1.00 0.00 N ATOM 39 CA SER A 5 -15.027 9.762 -3.938 1.00 0.00 C ATOM 40 C SER A 5 -15.080 8.271 -4.263 1.00 0.00 C ATOM 41 O SER A 5 -14.091 7.553 -4.102 1.00 0.00 O ATOM 42 CB SER A 5 -13.597 10.171 -3.581 1.00 0.00 C ATOM 43 OG SER A 5 -13.325 9.931 -2.211 1.00 0.00 O ATOM 0 H SER A 5 -16.074 9.332 -2.173 1.00 0.00 H new ATOM 0 HA SER A 5 -15.344 10.318 -4.820 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.891 9.615 -4.198 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.451 11.228 -3.804 1.00 0.00 H new ATOM 0 HG SER A 5 -12.404 10.199 -2.008 1.00 0.00 H new ATOM 49 N ARG A 6 -16.239 7.812 -4.722 1.00 0.00 N ATOM 50 CA ARG A 6 -16.421 6.408 -5.069 1.00 0.00 C ATOM 51 C ARG A 6 -16.174 5.511 -3.861 1.00 0.00 C ATOM 52 O ARG A 6 -16.026 5.992 -2.738 1.00 0.00 O ATOM 53 CB ARG A 6 -15.481 6.017 -6.212 1.00 0.00 C ATOM 54 CG ARG A 6 -16.107 5.057 -7.213 1.00 0.00 C ATOM 55 CD ARG A 6 -15.988 5.572 -8.640 1.00 0.00 C ATOM 56 NE ARG A 6 -17.280 5.599 -9.321 1.00 0.00 N ATOM 57 CZ ARG A 6 -18.262 6.443 -9.015 1.00 0.00 C ATOM 58 NH1 ARG A 6 -18.105 7.329 -8.040 1.00 0.00 N ATOM 59 NH2 ARG A 6 -19.405 6.400 -9.685 1.00 0.00 N ATOM 0 H ARG A 6 -17.066 8.392 -4.862 1.00 0.00 H new ATOM 0 HA ARG A 6 -17.452 6.271 -5.394 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.164 6.919 -6.735 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -14.584 5.559 -5.794 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -15.622 4.084 -7.136 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -17.158 4.909 -6.966 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -15.563 6.576 -8.629 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -15.297 4.939 -9.197 1.00 0.00 H new ATOM 0 HE ARG A 6 -17.439 4.931 -10.076 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -17.228 7.366 -7.521 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -18.861 7.974 -7.810 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -19.531 5.720 -10.435 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -20.158 7.047 -9.451 1.00 0.00 H new ATOM 73 N LEU A 7 -16.130 4.203 -4.099 1.00 0.00 N ATOM 74 CA LEU A 7 -15.901 3.239 -3.029 1.00 0.00 C ATOM 75 C LEU A 7 -14.736 2.314 -3.369 1.00 0.00 C ATOM 76 O LEU A 7 -14.678 1.749 -4.461 1.00 0.00 O ATOM 77 CB LEU A 7 -17.165 2.415 -2.778 1.00 0.00 C ATOM 78 CG LEU A 7 -17.769 1.758 -4.024 1.00 0.00 C ATOM 79 CD1 LEU A 7 -17.632 0.245 -3.953 1.00 0.00 C ATOM 80 CD2 LEU A 7 -19.229 2.155 -4.184 1.00 0.00 C ATOM 0 H LEU A 7 -16.250 3.787 -5.023 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.650 3.792 -2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -16.934 1.636 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -17.917 3.061 -2.325 1.00 0.00 H new ATOM 0 HG LEU A 7 -17.219 2.111 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -18.067 -0.202 -4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -16.577 -0.022 -3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -18.154 -0.127 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -19.640 1.679 -5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -19.792 1.833 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -19.303 3.238 -4.285 1.00 0.00 H new ATOM 92 N ASP A 8 -13.811 2.164 -2.428 1.00 0.00 N ATOM 93 CA ASP A 8 -12.647 1.309 -2.626 1.00 0.00 C ATOM 94 C ASP A 8 -12.493 0.323 -1.473 1.00 0.00 C ATOM 95 O ASP A 8 -12.139 0.708 -0.358 1.00 0.00 O ATOM 96 CB ASP A 8 -11.381 2.157 -2.761 1.00 0.00 C ATOM 97 CG ASP A 8 -11.066 2.499 -4.204 1.00 0.00 C ATOM 98 OD1 ASP A 8 -11.848 3.251 -4.821 1.00 0.00 O ATOM 99 OD2 ASP A 8 -10.035 2.016 -4.717 1.00 0.00 O ATOM 0 H ASP A 8 -13.845 2.625 -1.519 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.796 0.743 -3.546 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.501 3.078 -2.190 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.539 1.619 -2.326 1.00 0.00 H new ATOM 104 N ALA A 9 -12.761 -0.950 -1.746 1.00 0.00 N ATOM 105 CA ALA A 9 -12.652 -1.989 -0.730 1.00 0.00 C ATOM 106 C ALA A 9 -11.966 -3.232 -1.287 1.00 0.00 C ATOM 107 O ALA A 9 -12.592 -4.049 -1.962 1.00 0.00 O ATOM 108 CB ALA A 9 -14.030 -2.342 -0.188 1.00 0.00 C ATOM 0 H ALA A 9 -13.055 -1.286 -2.663 1.00 0.00 H new ATOM 0 HA ALA A 9 -12.040 -1.603 0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -13.935 -3.119 0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -14.484 -1.456 0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -14.659 -2.704 -1.001 1.00 0.00 H new ATOM 114 N LEU A 10 -10.676 -3.369 -0.998 1.00 0.00 N ATOM 115 CA LEU A 10 -9.905 -4.513 -1.470 1.00 0.00 C ATOM 116 C LEU A 10 -9.906 -4.580 -2.995 1.00 0.00 C ATOM 117 O LEU A 10 -10.690 -5.319 -3.591 1.00 0.00 O ATOM 118 CB LEU A 10 -10.471 -5.810 -0.891 1.00 0.00 C ATOM 119 CG LEU A 10 -10.138 -6.063 0.581 1.00 0.00 C ATOM 120 CD1 LEU A 10 -11.108 -7.067 1.184 1.00 0.00 C ATOM 121 CD2 LEU A 10 -8.705 -6.550 0.725 1.00 0.00 C ATOM 0 H LEU A 10 -10.143 -2.702 -0.440 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.876 -4.390 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.555 -5.798 -1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.097 -6.647 -1.481 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.238 -5.123 1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.855 -7.234 2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.124 -6.679 1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.041 -8.009 0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.484 -6.725 1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.579 -7.479 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.023 -5.796 0.332 1.00 0.00 H new ATOM 133 N PRO A 11 -9.025 -3.802 -3.650 1.00 0.00 N ATOM 134 CA PRO A 11 -8.927 -3.769 -5.114 1.00 0.00 C ATOM 135 C PRO A 11 -8.396 -5.080 -5.692 1.00 0.00 C ATOM 136 O PRO A 11 -7.355 -5.103 -6.350 1.00 0.00 O ATOM 137 CB PRO A 11 -7.941 -2.622 -5.392 1.00 0.00 C ATOM 138 CG PRO A 11 -7.815 -1.880 -4.103 1.00 0.00 C ATOM 139 CD PRO A 11 -8.062 -2.889 -3.021 1.00 0.00 C ATOM 0 HA PRO A 11 -9.903 -3.626 -5.578 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.975 -3.006 -5.719 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.310 -1.971 -6.185 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.825 -1.435 -4.004 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.537 -1.065 -4.049 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.146 -3.403 -2.729 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.469 -2.427 -2.121 1.00 0.00 H new ATOM 147 N ARG A 12 -9.120 -6.169 -5.448 1.00 0.00 N ATOM 148 CA ARG A 12 -8.726 -7.486 -5.946 1.00 0.00 C ATOM 149 C ARG A 12 -7.245 -7.756 -5.694 1.00 0.00 C ATOM 150 O ARG A 12 -6.592 -8.461 -6.462 1.00 0.00 O ATOM 151 CB ARG A 12 -9.031 -7.599 -7.440 1.00 0.00 C ATOM 152 CG ARG A 12 -10.395 -8.202 -7.739 1.00 0.00 C ATOM 153 CD ARG A 12 -10.536 -9.587 -7.130 1.00 0.00 C ATOM 154 NE ARG A 12 -11.644 -10.335 -7.722 1.00 0.00 N ATOM 155 CZ ARG A 12 -12.920 -10.164 -7.381 1.00 0.00 C ATOM 156 NH1 ARG A 12 -13.253 -9.272 -6.456 1.00 0.00 N ATOM 157 NH2 ARG A 12 -13.865 -10.886 -7.967 1.00 0.00 N ATOM 0 H ARG A 12 -9.985 -6.166 -4.907 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.303 -8.234 -5.403 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.975 -6.608 -7.890 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.262 -8.208 -7.914 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -11.176 -7.550 -7.348 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.540 -8.261 -8.818 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.608 -10.141 -7.271 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.693 -9.496 -6.055 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.427 -11.028 -8.438 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.530 -8.713 -6.003 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.232 -9.145 -6.199 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.615 -11.572 -8.679 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.842 -10.755 -7.706 1.00 0.00 H new ATOM 171 N VAL A 13 -6.723 -7.189 -4.611 1.00 0.00 N ATOM 172 CA VAL A 13 -5.324 -7.366 -4.255 1.00 0.00 C ATOM 173 C VAL A 13 -5.038 -8.807 -3.847 1.00 0.00 C ATOM 174 O VAL A 13 -5.560 -9.294 -2.844 1.00 0.00 O ATOM 175 CB VAL A 13 -4.924 -6.427 -3.103 1.00 0.00 C ATOM 176 CG1 VAL A 13 -4.767 -5.000 -3.604 1.00 0.00 C ATOM 177 CG2 VAL A 13 -5.945 -6.497 -1.976 1.00 0.00 C ATOM 0 H VAL A 13 -7.251 -6.602 -3.965 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.735 -7.122 -5.139 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.962 -6.755 -2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.484 -4.352 -2.774 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.993 -4.967 -4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.711 -4.657 -4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.645 -5.826 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.923 -6.197 -2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.999 -7.518 -1.597 1.00 0.00 H new ATOM 187 N THR A 14 -4.206 -9.485 -4.631 1.00 0.00 N ATOM 188 CA THR A 14 -3.852 -10.871 -4.349 1.00 0.00 C ATOM 189 C THR A 14 -2.601 -11.282 -5.118 1.00 0.00 C ATOM 190 O THR A 14 -2.238 -10.656 -6.114 1.00 0.00 O ATOM 191 CB THR A 14 -5.013 -11.800 -4.711 1.00 0.00 C ATOM 192 OG1 THR A 14 -5.787 -11.249 -5.762 1.00 0.00 O ATOM 193 CG2 THR A 14 -5.943 -12.072 -3.549 1.00 0.00 C ATOM 0 H THR A 14 -3.765 -9.098 -5.465 1.00 0.00 H new ATOM 0 HA THR A 14 -3.645 -10.956 -3.282 1.00 0.00 H new ATOM 0 HB THR A 14 -4.550 -12.739 -5.013 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.523 -11.858 -5.980 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.744 -12.737 -3.872 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.385 -12.542 -2.739 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.370 -11.133 -3.198 1.00 0.00 H new ATOM 201 N CYS A 15 -1.946 -12.339 -4.649 1.00 0.00 N ATOM 202 CA CYS A 15 -0.735 -12.837 -5.291 1.00 0.00 C ATOM 203 C CYS A 15 -1.008 -13.204 -6.750 1.00 0.00 C ATOM 204 O CYS A 15 -2.016 -13.840 -7.058 1.00 0.00 O ATOM 205 CB CYS A 15 -0.205 -14.058 -4.535 1.00 0.00 C ATOM 206 SG CYS A 15 1.317 -14.753 -5.222 1.00 0.00 S ATOM 0 H CYS A 15 -2.234 -12.868 -3.826 1.00 0.00 H new ATOM 0 HA CYS A 15 0.016 -12.048 -5.268 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -0.027 -13.779 -3.496 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.974 -14.830 -4.530 1.00 0.00 H new ATOM 211 N PRO A 16 -0.113 -12.806 -7.674 1.00 0.00 N ATOM 212 CA PRO A 16 -0.273 -13.099 -9.103 1.00 0.00 C ATOM 213 C PRO A 16 -0.151 -14.588 -9.409 1.00 0.00 C ATOM 214 O PRO A 16 -0.760 -15.089 -10.354 1.00 0.00 O ATOM 215 CB PRO A 16 0.871 -12.323 -9.760 1.00 0.00 C ATOM 216 CG PRO A 16 1.889 -12.162 -8.686 1.00 0.00 C ATOM 217 CD PRO A 16 1.119 -12.042 -7.401 1.00 0.00 C ATOM 0 HA PRO A 16 -1.261 -12.815 -9.466 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.278 -12.866 -10.613 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.531 -11.356 -10.131 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.565 -13.017 -8.658 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.501 -11.277 -8.858 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.673 -12.458 -6.559 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.902 -11.002 -7.157 1.00 0.00 H new ATOM 225 N ASN A 17 0.643 -15.287 -8.607 1.00 0.00 N ATOM 226 CA ASN A 17 0.848 -16.719 -8.794 1.00 0.00 C ATOM 227 C ASN A 17 0.059 -17.537 -7.771 1.00 0.00 C ATOM 228 O ASN A 17 0.020 -18.765 -7.846 1.00 0.00 O ATOM 229 CB ASN A 17 2.336 -17.059 -8.692 1.00 0.00 C ATOM 230 CG ASN A 17 3.126 -16.555 -9.884 1.00 0.00 C ATOM 231 OD1 ASN A 17 3.174 -15.353 -10.149 1.00 0.00 O ATOM 232 ND2 ASN A 17 3.751 -17.474 -10.610 1.00 0.00 N ATOM 0 H ASN A 17 1.155 -14.886 -7.821 1.00 0.00 H new ATOM 0 HA ASN A 17 0.484 -16.977 -9.788 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.744 -16.625 -7.779 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.455 -18.140 -8.611 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.299 -17.195 -11.424 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.684 -18.459 -10.354 1.00 0.00 H new ATOM 239 N HIS A 18 -0.569 -16.855 -6.815 1.00 0.00 N ATOM 240 CA HIS A 18 -1.351 -17.532 -5.787 1.00 0.00 C ATOM 241 C HIS A 18 -2.715 -16.867 -5.606 1.00 0.00 C ATOM 242 O HIS A 18 -2.863 -15.949 -4.801 1.00 0.00 O ATOM 243 CB HIS A 18 -0.597 -17.535 -4.455 1.00 0.00 C ATOM 244 CG HIS A 18 0.598 -18.433 -4.443 1.00 0.00 C ATOM 245 ND1 HIS A 18 1.846 -17.970 -4.085 1.00 0.00 N ATOM 246 CD2 HIS A 18 0.676 -19.755 -4.726 1.00 0.00 C ATOM 247 CE1 HIS A 18 2.645 -19.024 -4.152 1.00 0.00 C ATOM 248 NE2 HIS A 18 1.982 -20.124 -4.538 1.00 0.00 N ATOM 0 H HIS A 18 -0.551 -15.839 -6.732 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.507 -18.561 -6.112 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.279 -16.518 -4.226 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.279 -17.842 -3.662 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.135 -20.395 -5.040 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.700 -19.001 -3.924 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.375 -21.057 -4.667 1.00 0.00 H new ATOM 256 N PRO A 19 -3.734 -17.327 -6.353 1.00 0.00 N ATOM 257 CA PRO A 19 -5.087 -16.771 -6.262 1.00 0.00 C ATOM 258 C PRO A 19 -5.738 -17.056 -4.913 1.00 0.00 C ATOM 259 O PRO A 19 -6.613 -16.316 -4.465 1.00 0.00 O ATOM 260 CB PRO A 19 -5.847 -17.483 -7.385 1.00 0.00 C ATOM 261 CG PRO A 19 -5.091 -18.745 -7.615 1.00 0.00 C ATOM 262 CD PRO A 19 -3.651 -18.424 -7.335 1.00 0.00 C ATOM 0 HA PRO A 19 -5.087 -15.685 -6.356 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.878 -17.687 -7.097 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.882 -16.873 -8.288 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.448 -19.539 -6.959 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.220 -19.096 -8.639 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.118 -19.285 -6.932 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.124 -18.117 -8.238 1.00 0.00 H new ATOM 270 N ASP A 20 -5.302 -18.134 -4.268 1.00 0.00 N ATOM 271 CA ASP A 20 -5.838 -18.516 -2.967 1.00 0.00 C ATOM 272 C ASP A 20 -5.097 -17.799 -1.843 1.00 0.00 C ATOM 273 O ASP A 20 -5.714 -17.221 -0.949 1.00 0.00 O ATOM 274 CB ASP A 20 -5.740 -20.031 -2.776 1.00 0.00 C ATOM 275 CG ASP A 20 -4.343 -20.558 -3.041 1.00 0.00 C ATOM 276 OD1 ASP A 20 -3.909 -20.527 -4.212 1.00 0.00 O ATOM 277 OD2 ASP A 20 -3.683 -21.003 -2.078 1.00 0.00 O ATOM 0 H ASP A 20 -4.579 -18.758 -4.626 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.887 -18.221 -2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.034 -20.286 -1.758 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.445 -20.525 -3.445 1.00 0.00 H new ATOM 282 N ALA A 21 -3.770 -17.837 -1.900 1.00 0.00 N ATOM 283 CA ALA A 21 -2.942 -17.189 -0.890 1.00 0.00 C ATOM 284 C ALA A 21 -2.875 -15.684 -1.126 1.00 0.00 C ATOM 285 O ALA A 21 -2.326 -15.226 -2.127 1.00 0.00 O ATOM 286 CB ALA A 21 -1.544 -17.789 -0.887 1.00 0.00 C ATOM 0 H ALA A 21 -3.245 -18.310 -2.635 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.398 -17.360 0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.938 -17.295 -0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.606 -18.854 -0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.085 -17.648 -1.866 1.00 0.00 H new ATOM 292 N ILE A 22 -3.443 -14.919 -0.199 1.00 0.00 N ATOM 293 CA ILE A 22 -3.455 -13.470 -0.305 1.00 0.00 C ATOM 294 C ILE A 22 -2.228 -12.854 0.357 1.00 0.00 C ATOM 295 O ILE A 22 -1.876 -13.204 1.483 1.00 0.00 O ATOM 296 CB ILE A 22 -4.722 -12.879 0.340 1.00 0.00 C ATOM 297 CG1 ILE A 22 -4.960 -13.497 1.722 1.00 0.00 C ATOM 298 CG2 ILE A 22 -5.931 -13.094 -0.561 1.00 0.00 C ATOM 299 CD1 ILE A 22 -5.921 -12.703 2.581 1.00 0.00 C ATOM 0 H ILE A 22 -3.902 -15.283 0.636 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.444 -13.230 -1.368 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.576 -11.806 0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.347 -14.508 1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.006 -13.583 2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.817 -12.670 -0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.762 -12.605 -1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.081 -14.162 -0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.042 -13.198 3.544 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.526 -11.699 2.736 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.888 -12.639 2.082 1.00 0.00 H new ATOM 311 N LEU A 23 -1.585 -11.928 -0.348 1.00 0.00 N ATOM 312 CA LEU A 23 -0.399 -11.254 0.172 1.00 0.00 C ATOM 313 C LEU A 23 -0.718 -10.537 1.481 1.00 0.00 C ATOM 314 O LEU A 23 -1.346 -9.477 1.481 1.00 0.00 O ATOM 315 CB LEU A 23 0.132 -10.252 -0.855 1.00 0.00 C ATOM 316 CG LEU A 23 1.344 -10.727 -1.655 1.00 0.00 C ATOM 317 CD1 LEU A 23 0.903 -11.563 -2.845 1.00 0.00 C ATOM 318 CD2 LEU A 23 2.178 -9.542 -2.113 1.00 0.00 C ATOM 0 H LEU A 23 -1.865 -11.627 -1.281 1.00 0.00 H new ATOM 0 HA LEU A 23 0.366 -12.006 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.671 -10.008 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.396 -9.330 -0.337 1.00 0.00 H new ATOM 0 HG LEU A 23 1.961 -11.351 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.779 -11.892 -3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.349 -12.433 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.264 -10.964 -3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.037 -9.899 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.571 -8.892 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.525 -8.984 -1.244 1.00 0.00 H new ATOM 330 N VAL A 24 -0.283 -11.118 2.594 1.00 0.00 N ATOM 331 CA VAL A 24 -0.524 -10.531 3.910 1.00 0.00 C ATOM 332 C VAL A 24 -0.120 -9.060 3.937 1.00 0.00 C ATOM 333 O VAL A 24 0.641 -8.602 3.085 1.00 0.00 O ATOM 334 CB VAL A 24 0.247 -11.284 5.012 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.182 -10.807 6.390 1.00 0.00 C ATOM 336 CG2 VAL A 24 0.047 -12.786 4.875 1.00 0.00 C ATOM 0 H VAL A 24 0.238 -11.995 2.613 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.593 -10.616 4.103 1.00 0.00 H new ATOM 0 HB VAL A 24 1.309 -11.069 4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.374 -11.351 7.153 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.020 -9.740 6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.249 -10.987 6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.599 -13.300 5.662 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.014 -13.021 4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.412 -13.114 3.902 1.00 0.00 H new ATOM 346 N GLU A 25 -0.634 -8.323 4.916 1.00 0.00 N ATOM 347 CA GLU A 25 -0.326 -6.903 5.046 1.00 0.00 C ATOM 348 C GLU A 25 0.187 -6.581 6.447 1.00 0.00 C ATOM 349 O GLU A 25 -0.283 -7.142 7.437 1.00 0.00 O ATOM 350 CB GLU A 25 -1.565 -6.061 4.732 1.00 0.00 C ATOM 351 CG GLU A 25 -1.445 -5.261 3.445 1.00 0.00 C ATOM 352 CD GLU A 25 -2.750 -4.597 3.048 1.00 0.00 C ATOM 353 OE1 GLU A 25 -3.815 -5.065 3.500 1.00 0.00 O ATOM 354 OE2 GLU A 25 -2.704 -3.610 2.284 1.00 0.00 O ATOM 0 H GLU A 25 -1.265 -8.685 5.631 1.00 0.00 H new ATOM 0 HA GLU A 25 0.459 -6.659 4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.432 -6.717 4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.749 -5.376 5.560 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.676 -4.499 3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.117 -5.920 2.641 1.00 0.00 H new ATOM 361 N ASP A 26 1.154 -5.673 6.520 1.00 0.00 N ATOM 362 CA ASP A 26 1.734 -5.272 7.798 1.00 0.00 C ATOM 363 C ASP A 26 2.362 -6.465 8.512 1.00 0.00 C ATOM 364 O ASP A 26 1.918 -6.862 9.590 1.00 0.00 O ATOM 365 CB ASP A 26 0.668 -4.629 8.688 1.00 0.00 C ATOM 366 CG ASP A 26 -0.021 -3.457 8.015 1.00 0.00 C ATOM 367 OD1 ASP A 26 0.107 -3.322 6.780 1.00 0.00 O ATOM 368 OD2 ASP A 26 -0.687 -2.675 8.725 1.00 0.00 O ATOM 0 H ASP A 26 1.553 -5.200 5.709 1.00 0.00 H new ATOM 0 HA ASP A 26 2.517 -4.541 7.598 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.076 -5.378 8.957 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.130 -4.291 9.616 1.00 0.00 H new ATOM 373 N TYR A 27 3.400 -7.032 7.906 1.00 0.00 N ATOM 374 CA TYR A 27 4.091 -8.177 8.485 1.00 0.00 C ATOM 375 C TYR A 27 5.244 -7.717 9.372 1.00 0.00 C ATOM 376 O TYR A 27 5.524 -8.321 10.407 1.00 0.00 O ATOM 377 CB TYR A 27 4.614 -9.097 7.381 1.00 0.00 C ATOM 378 CG TYR A 27 4.526 -10.566 7.724 1.00 0.00 C ATOM 379 CD1 TYR A 27 3.319 -11.138 8.110 1.00 0.00 C ATOM 380 CD2 TYR A 27 5.648 -11.382 7.662 1.00 0.00 C ATOM 381 CE1 TYR A 27 3.235 -12.480 8.425 1.00 0.00 C ATOM 382 CE2 TYR A 27 5.571 -12.726 7.975 1.00 0.00 C ATOM 383 CZ TYR A 27 4.362 -13.270 8.356 1.00 0.00 C ATOM 384 OH TYR A 27 4.282 -14.607 8.669 1.00 0.00 O ATOM 0 H TYR A 27 3.781 -6.717 7.014 1.00 0.00 H new ATOM 0 HA TYR A 27 3.380 -8.731 9.098 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.049 -8.912 6.467 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.653 -8.843 7.170 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.433 -10.523 8.164 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.596 -10.959 7.364 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.290 -12.909 8.724 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.453 -13.347 7.922 1.00 0.00 H new ATOM 0 HH TYR A 27 5.165 -15.020 8.568 1.00 0.00 H new ATOM 394 N ARG A 28 5.904 -6.639 8.959 1.00 0.00 N ATOM 395 CA ARG A 28 7.021 -6.085 9.709 1.00 0.00 C ATOM 396 C ARG A 28 7.294 -4.651 9.279 1.00 0.00 C ATOM 397 O ARG A 28 7.797 -4.401 8.184 1.00 0.00 O ATOM 398 CB ARG A 28 8.282 -6.927 9.512 1.00 0.00 C ATOM 399 CG ARG A 28 8.428 -8.068 10.508 1.00 0.00 C ATOM 400 CD ARG A 28 8.318 -7.576 11.944 1.00 0.00 C ATOM 401 NE ARG A 28 9.334 -8.174 12.807 1.00 0.00 N ATOM 402 CZ ARG A 28 9.420 -7.950 14.116 1.00 0.00 C ATOM 403 NH1 ARG A 28 8.552 -7.145 14.717 1.00 0.00 N ATOM 404 NH2 ARG A 28 10.375 -8.534 14.827 1.00 0.00 N ATOM 0 H ARG A 28 5.681 -6.131 8.103 1.00 0.00 H new ATOM 0 HA ARG A 28 6.752 -6.097 10.765 1.00 0.00 H new ATOM 0 HB2 ARG A 28 8.277 -7.338 8.503 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.155 -6.278 9.588 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.659 -8.817 10.319 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.391 -8.557 10.363 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.418 -6.491 11.964 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.327 -7.812 12.333 1.00 0.00 H new ATOM 0 HE ARG A 28 10.018 -8.800 12.381 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.814 -6.695 14.175 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.623 -6.977 15.721 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.043 -9.155 14.371 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.441 -8.362 15.830 1.00 0.00 H new ATOM 418 N ALA A 29 6.957 -3.715 10.153 1.00 0.00 N ATOM 419 CA ALA A 29 7.158 -2.296 9.880 1.00 0.00 C ATOM 420 C ALA A 29 6.301 -1.831 8.708 1.00 0.00 C ATOM 421 O ALA A 29 6.668 -0.901 7.989 1.00 0.00 O ATOM 422 CB ALA A 29 8.629 -2.015 9.606 1.00 0.00 C ATOM 0 H ALA A 29 6.541 -3.912 11.063 1.00 0.00 H new ATOM 0 HA ALA A 29 6.849 -1.736 10.763 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.765 -0.953 9.404 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.222 -2.298 10.476 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.955 -2.593 8.742 1.00 0.00 H new ATOM 428 N GLY A 30 5.158 -2.482 8.520 1.00 0.00 N ATOM 429 CA GLY A 30 4.265 -2.117 7.436 1.00 0.00 C ATOM 430 C GLY A 30 4.729 -2.649 6.094 1.00 0.00 C ATOM 431 O GLY A 30 5.193 -1.889 5.244 1.00 0.00 O ATOM 0 H GLY A 30 4.834 -3.256 9.099 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.266 -2.499 7.649 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.187 -1.031 7.385 1.00 0.00 H new ATOM 435 N ASP A 31 4.600 -3.957 5.901 1.00 0.00 N ATOM 436 CA ASP A 31 5.006 -4.592 4.652 1.00 0.00 C ATOM 437 C ASP A 31 4.108 -5.783 4.334 1.00 0.00 C ATOM 438 O ASP A 31 3.547 -6.408 5.234 1.00 0.00 O ATOM 439 CB ASP A 31 6.465 -5.043 4.733 1.00 0.00 C ATOM 440 CG ASP A 31 6.718 -5.981 5.898 1.00 0.00 C ATOM 441 OD1 ASP A 31 5.751 -6.619 6.367 1.00 0.00 O ATOM 442 OD2 ASP A 31 7.881 -6.079 6.341 1.00 0.00 O ATOM 0 H ASP A 31 4.217 -4.599 6.595 1.00 0.00 H new ATOM 0 HA ASP A 31 4.907 -3.860 3.851 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.740 -5.541 3.803 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.108 -4.168 4.829 1.00 0.00 H new ATOM 447 N MET A 32 3.976 -6.094 3.048 1.00 0.00 N ATOM 448 CA MET A 32 3.144 -7.211 2.615 1.00 0.00 C ATOM 449 C MET A 32 4.002 -8.418 2.249 1.00 0.00 C ATOM 450 O MET A 32 5.156 -8.273 1.847 1.00 0.00 O ATOM 451 CB MET A 32 2.281 -6.801 1.420 1.00 0.00 C ATOM 452 CG MET A 32 1.630 -5.437 1.579 1.00 0.00 C ATOM 453 SD MET A 32 1.042 -4.761 0.014 1.00 0.00 S ATOM 454 CE MET A 32 -0.481 -3.976 0.536 1.00 0.00 C ATOM 0 H MET A 32 4.434 -5.589 2.289 1.00 0.00 H new ATOM 0 HA MET A 32 2.493 -7.489 3.444 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.898 -6.797 0.521 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.504 -7.550 1.270 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.793 -5.517 2.273 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.347 -4.746 2.022 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.788 -3.244 -0.211 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.260 -4.730 0.646 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.323 -3.475 1.491 1.00 0.00 H new ATOM 464 N ILE A 33 3.430 -9.612 2.390 1.00 0.00 N ATOM 465 CA ILE A 33 4.149 -10.839 2.072 1.00 0.00 C ATOM 466 C ILE A 33 3.190 -12.008 1.862 1.00 0.00 C ATOM 467 O ILE A 33 2.200 -12.148 2.578 1.00 0.00 O ATOM 468 CB ILE A 33 5.155 -11.202 3.184 1.00 0.00 C ATOM 469 CG1 ILE A 33 5.954 -12.454 2.803 1.00 0.00 C ATOM 470 CG2 ILE A 33 4.431 -11.411 4.506 1.00 0.00 C ATOM 471 CD1 ILE A 33 7.434 -12.193 2.629 1.00 0.00 C ATOM 0 H ILE A 33 2.476 -9.754 2.721 1.00 0.00 H new ATOM 0 HA ILE A 33 4.692 -10.655 1.145 1.00 0.00 H new ATOM 0 HB ILE A 33 5.854 -10.374 3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.815 -13.213 3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.553 -12.863 1.876 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.154 -11.666 5.280 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.910 -10.495 4.784 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.710 -12.221 4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.938 -13.121 2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.583 -11.457 1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.849 -11.812 3.562 1.00 0.00 H new ATOM 483 N CYS A 34 3.496 -12.852 0.879 1.00 0.00 N ATOM 484 CA CYS A 34 2.663 -14.012 0.582 1.00 0.00 C ATOM 485 C CYS A 34 3.309 -15.283 1.135 1.00 0.00 C ATOM 486 O CYS A 34 4.246 -15.817 0.542 1.00 0.00 O ATOM 487 CB CYS A 34 2.456 -14.129 -0.931 1.00 0.00 C ATOM 488 SG CYS A 34 1.561 -15.605 -1.475 1.00 0.00 S ATOM 0 H CYS A 34 4.313 -12.754 0.277 1.00 0.00 H new ATOM 0 HA CYS A 34 1.692 -13.885 1.060 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.915 -13.248 -1.277 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.432 -14.116 -1.417 1.00 0.00 H new ATOM 493 N PRO A 35 2.823 -15.784 2.288 1.00 0.00 N ATOM 494 CA PRO A 35 3.368 -16.989 2.921 1.00 0.00 C ATOM 495 C PRO A 35 3.524 -18.148 1.942 1.00 0.00 C ATOM 496 O PRO A 35 4.344 -19.041 2.151 1.00 0.00 O ATOM 497 CB PRO A 35 2.338 -17.340 4.009 1.00 0.00 C ATOM 498 CG PRO A 35 1.175 -16.429 3.781 1.00 0.00 C ATOM 499 CD PRO A 35 1.717 -15.222 3.074 1.00 0.00 C ATOM 0 HA PRO A 35 4.370 -16.812 3.312 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.036 -18.385 3.938 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.757 -17.196 5.005 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.409 -16.920 3.181 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.709 -16.149 4.726 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.966 -14.752 2.439 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.062 -14.462 3.775 1.00 0.00 H new ATOM 507 N GLU A 36 2.734 -18.131 0.875 1.00 0.00 N ATOM 508 CA GLU A 36 2.791 -19.186 -0.129 1.00 0.00 C ATOM 509 C GLU A 36 4.132 -19.170 -0.866 1.00 0.00 C ATOM 510 O GLU A 36 4.977 -20.036 -0.637 1.00 0.00 O ATOM 511 CB GLU A 36 1.632 -19.040 -1.112 1.00 0.00 C ATOM 512 CG GLU A 36 1.172 -20.360 -1.709 1.00 0.00 C ATOM 513 CD GLU A 36 0.801 -21.379 -0.650 1.00 0.00 C ATOM 514 OE1 GLU A 36 0.547 -20.972 0.503 1.00 0.00 O ATOM 515 OE2 GLU A 36 0.764 -22.585 -0.974 1.00 0.00 O ATOM 0 H GLU A 36 2.048 -17.401 0.683 1.00 0.00 H new ATOM 0 HA GLU A 36 2.701 -20.147 0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.792 -18.568 -0.603 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.932 -18.371 -1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.312 -20.183 -2.355 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.964 -20.766 -2.338 1.00 0.00 H new ATOM 522 N CYS A 37 4.336 -18.182 -1.738 1.00 0.00 N ATOM 523 CA CYS A 37 5.594 -18.077 -2.476 1.00 0.00 C ATOM 524 C CYS A 37 6.665 -17.433 -1.607 1.00 0.00 C ATOM 525 O CYS A 37 7.799 -17.908 -1.543 1.00 0.00 O ATOM 526 CB CYS A 37 5.429 -17.265 -3.767 1.00 0.00 C ATOM 527 SG CYS A 37 4.572 -15.691 -3.566 1.00 0.00 S ATOM 0 H CYS A 37 3.656 -17.452 -1.949 1.00 0.00 H new ATOM 0 HA CYS A 37 5.898 -19.089 -2.745 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.416 -17.074 -4.188 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.884 -17.869 -4.493 1.00 0.00 H new ATOM 532 N GLY A 38 6.295 -16.347 -0.940 1.00 0.00 N ATOM 533 CA GLY A 38 7.229 -15.647 -0.082 1.00 0.00 C ATOM 534 C GLY A 38 7.745 -14.369 -0.711 1.00 0.00 C ATOM 535 O GLY A 38 8.946 -14.102 -0.690 1.00 0.00 O ATOM 0 H GLY A 38 5.361 -15.938 -0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.743 -15.412 0.865 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.070 -16.302 0.146 1.00 0.00 H new ATOM 539 N LEU A 39 6.836 -13.573 -1.268 1.00 0.00 N ATOM 540 CA LEU A 39 7.217 -12.315 -1.897 1.00 0.00 C ATOM 541 C LEU A 39 6.977 -11.152 -0.942 1.00 0.00 C ATOM 542 O LEU A 39 6.305 -11.309 0.076 1.00 0.00 O ATOM 543 CB LEU A 39 6.448 -12.115 -3.211 1.00 0.00 C ATOM 544 CG LEU A 39 5.076 -11.439 -3.089 1.00 0.00 C ATOM 545 CD1 LEU A 39 5.106 -10.055 -3.721 1.00 0.00 C ATOM 546 CD2 LEU A 39 3.998 -12.296 -3.735 1.00 0.00 C ATOM 0 H LEU A 39 5.837 -13.776 -1.296 1.00 0.00 H new ATOM 0 HA LEU A 39 8.281 -12.350 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.066 -11.520 -3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.311 -13.089 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 39 4.840 -11.330 -2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.125 -9.590 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.850 -9.440 -3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.365 -10.142 -4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.032 -11.800 -3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.229 -12.437 -4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.959 -13.266 -3.239 1.00 0.00 H new ATOM 558 N VAL A 40 7.536 -9.993 -1.273 1.00 0.00 N ATOM 559 CA VAL A 40 7.386 -8.811 -0.434 1.00 0.00 C ATOM 560 C VAL A 40 7.065 -7.574 -1.266 1.00 0.00 C ATOM 561 O VAL A 40 7.880 -7.127 -2.074 1.00 0.00 O ATOM 562 CB VAL A 40 8.661 -8.538 0.388 1.00 0.00 C ATOM 563 CG1 VAL A 40 8.396 -7.477 1.446 1.00 0.00 C ATOM 564 CG2 VAL A 40 9.176 -9.821 1.024 1.00 0.00 C ATOM 0 H VAL A 40 8.095 -9.848 -2.114 1.00 0.00 H new ATOM 0 HA VAL A 40 6.557 -9.015 0.244 1.00 0.00 H new ATOM 0 HB VAL A 40 9.431 -8.163 -0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.307 -7.297 2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.082 -6.552 0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.609 -7.821 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.076 -9.606 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.412 -10.232 1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.409 -10.546 0.244 1.00 0.00 H new ATOM 574 N VAL A 41 5.876 -7.024 -1.057 1.00 0.00 N ATOM 575 CA VAL A 41 5.445 -5.833 -1.780 1.00 0.00 C ATOM 576 C VAL A 41 5.463 -4.608 -0.873 1.00 0.00 C ATOM 577 O VAL A 41 4.927 -4.635 0.235 1.00 0.00 O ATOM 578 CB VAL A 41 4.029 -6.006 -2.360 1.00 0.00 C ATOM 579 CG1 VAL A 41 3.676 -4.838 -3.269 1.00 0.00 C ATOM 580 CG2 VAL A 41 3.918 -7.324 -3.108 1.00 0.00 C ATOM 0 H VAL A 41 5.191 -7.384 -0.392 1.00 0.00 H new ATOM 0 HA VAL A 41 6.148 -5.689 -2.600 1.00 0.00 H new ATOM 0 HB VAL A 41 3.318 -6.021 -1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.672 -4.979 -3.669 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.713 -3.909 -2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.390 -4.788 -4.091 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.911 -7.430 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.640 -7.341 -3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.124 -8.148 -2.425 1.00 0.00 H new ATOM 590 N GLY A 42 6.083 -3.533 -1.350 1.00 0.00 N ATOM 591 CA GLY A 42 6.160 -2.313 -0.568 1.00 0.00 C ATOM 592 C GLY A 42 4.843 -1.561 -0.537 1.00 0.00 C ATOM 593 O GLY A 42 4.154 -1.459 -1.551 1.00 0.00 O ATOM 0 H GLY A 42 6.533 -3.485 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.460 -2.556 0.451 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.934 -1.667 -0.983 1.00 0.00 H new ATOM 597 N ASP A 43 4.495 -1.031 0.632 1.00 0.00 N ATOM 598 CA ASP A 43 3.254 -0.284 0.793 1.00 0.00 C ATOM 599 C ASP A 43 3.385 1.121 0.215 1.00 0.00 C ATOM 600 O ASP A 43 2.413 1.694 -0.277 1.00 0.00 O ATOM 601 CB ASP A 43 2.870 -0.207 2.272 1.00 0.00 C ATOM 602 CG ASP A 43 1.403 0.116 2.474 1.00 0.00 C ATOM 603 OD1 ASP A 43 0.832 0.838 1.630 1.00 0.00 O ATOM 604 OD2 ASP A 43 0.824 -0.354 3.476 1.00 0.00 O ATOM 0 H ASP A 43 5.056 -1.106 1.481 1.00 0.00 H new ATOM 0 HA ASP A 43 2.470 -0.809 0.248 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.099 -1.158 2.754 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.477 0.554 2.763 1.00 0.00 H new ATOM 609 N ARG A 44 4.593 1.671 0.279 1.00 0.00 N ATOM 610 CA ARG A 44 4.852 3.009 -0.238 1.00 0.00 C ATOM 611 C ARG A 44 6.252 3.100 -0.840 1.00 0.00 C ATOM 612 O ARG A 44 7.248 3.123 -0.117 1.00 0.00 O ATOM 613 CB ARG A 44 4.693 4.049 0.873 1.00 0.00 C ATOM 614 CG ARG A 44 5.411 3.676 2.160 1.00 0.00 C ATOM 615 CD ARG A 44 5.822 4.910 2.949 1.00 0.00 C ATOM 616 NE ARG A 44 5.078 5.032 4.201 1.00 0.00 N ATOM 617 CZ ARG A 44 5.272 4.248 5.258 1.00 0.00 C ATOM 618 NH1 ARG A 44 6.184 3.283 5.219 1.00 0.00 N ATOM 619 NH2 ARG A 44 4.552 4.426 6.358 1.00 0.00 N ATOM 0 H ARG A 44 5.408 1.210 0.684 1.00 0.00 H new ATOM 0 HA ARG A 44 4.125 3.213 -1.024 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.072 5.008 0.519 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.632 4.184 1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.761 3.052 2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.294 3.082 1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.889 4.864 3.165 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.658 5.800 2.342 1.00 0.00 H new ATOM 0 HE ARG A 44 4.368 5.761 4.268 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.740 3.140 4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.329 2.685 6.032 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.849 5.164 6.394 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.701 3.824 7.168 1.00 0.00 H new ATOM 633 N VAL A 45 6.318 3.152 -2.166 1.00 0.00 N ATOM 634 CA VAL A 45 7.590 3.238 -2.865 1.00 0.00 C ATOM 635 C VAL A 45 8.311 4.541 -2.537 1.00 0.00 C ATOM 636 O VAL A 45 7.723 5.621 -2.594 1.00 0.00 O ATOM 637 CB VAL A 45 7.390 3.144 -4.387 1.00 0.00 C ATOM 638 CG1 VAL A 45 7.104 1.709 -4.802 1.00 0.00 C ATOM 639 CG2 VAL A 45 6.271 4.071 -4.841 1.00 0.00 C ATOM 0 H VAL A 45 5.502 3.136 -2.778 1.00 0.00 H new ATOM 0 HA VAL A 45 8.198 2.398 -2.529 1.00 0.00 H new ATOM 0 HB VAL A 45 8.312 3.462 -4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.965 1.663 -5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.942 1.074 -4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.199 1.360 -4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.146 3.989 -5.921 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.342 3.789 -4.346 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.523 5.099 -4.582 1.00 0.00 H new ATOM 649 N ILE A 46 9.591 4.432 -2.193 1.00 0.00 N ATOM 650 CA ILE A 46 10.395 5.601 -1.857 1.00 0.00 C ATOM 651 C ILE A 46 11.400 5.910 -2.961 1.00 0.00 C ATOM 652 O ILE A 46 12.577 5.566 -2.858 1.00 0.00 O ATOM 653 CB ILE A 46 11.152 5.399 -0.531 1.00 0.00 C ATOM 654 CG1 ILE A 46 10.200 4.893 0.554 1.00 0.00 C ATOM 655 CG2 ILE A 46 11.815 6.699 -0.098 1.00 0.00 C ATOM 656 CD1 ILE A 46 10.910 4.305 1.754 1.00 0.00 C ATOM 0 H ILE A 46 10.093 3.546 -2.140 1.00 0.00 H new ATOM 0 HA ILE A 46 9.707 6.439 -1.749 1.00 0.00 H new ATOM 0 HB ILE A 46 11.929 4.650 -0.683 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.567 5.717 0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.542 4.137 0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 46 12.346 6.541 0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.520 7.021 -0.865 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.054 7.467 0.040 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.173 3.967 2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.521 3.460 1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.547 5.064 2.208 1.00 0.00 H new ATOM 668 N ASP A 47 10.927 6.563 -4.019 1.00 0.00 N ATOM 669 CA ASP A 47 11.785 6.920 -5.143 1.00 0.00 C ATOM 670 C ASP A 47 12.849 7.926 -4.718 1.00 0.00 C ATOM 671 O ASP A 47 12.547 8.929 -4.072 1.00 0.00 O ATOM 672 CB ASP A 47 10.948 7.498 -6.286 1.00 0.00 C ATOM 673 CG ASP A 47 11.760 7.706 -7.548 1.00 0.00 C ATOM 674 OD1 ASP A 47 12.749 8.468 -7.500 1.00 0.00 O ATOM 675 OD2 ASP A 47 11.408 7.107 -8.587 1.00 0.00 O ATOM 0 H ASP A 47 9.955 6.855 -4.121 1.00 0.00 H new ATOM 0 HA ASP A 47 12.285 6.015 -5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.116 6.827 -6.499 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.518 8.449 -5.973 1.00 0.00 H new ATOM 680 N VAL A 48 14.096 7.650 -5.086 1.00 0.00 N ATOM 681 CA VAL A 48 15.206 8.531 -4.744 1.00 0.00 C ATOM 682 C VAL A 48 16.469 8.145 -5.508 1.00 0.00 C ATOM 683 O VAL A 48 17.057 7.092 -5.263 1.00 0.00 O ATOM 684 CB VAL A 48 15.499 8.502 -3.230 1.00 0.00 C ATOM 685 CG1 VAL A 48 15.896 7.102 -2.785 1.00 0.00 C ATOM 686 CG2 VAL A 48 16.582 9.510 -2.873 1.00 0.00 C ATOM 0 H VAL A 48 14.363 6.823 -5.621 1.00 0.00 H new ATOM 0 HA VAL A 48 14.910 9.541 -5.028 1.00 0.00 H new ATOM 0 HB VAL A 48 14.588 8.780 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.098 7.104 -1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 48 15.083 6.408 -2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 48 16.791 6.790 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 48 16.774 9.474 -1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 48 17.497 9.268 -3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 48 16.252 10.512 -3.149 1.00 0.00 H new ATOM 696 N GLY A 49 16.880 9.004 -6.435 1.00 0.00 N ATOM 697 CA GLY A 49 18.070 8.735 -7.219 1.00 0.00 C ATOM 698 C GLY A 49 18.001 9.347 -8.605 1.00 0.00 C ATOM 699 O GLY A 49 17.250 10.293 -8.837 1.00 0.00 O ATOM 0 H GLY A 49 16.410 9.882 -6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 49 18.942 9.126 -6.695 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.207 7.657 -7.307 1.00 0.00 H new ATOM 703 N SER A 50 18.790 8.805 -9.528 1.00 0.00 N ATOM 704 CA SER A 50 18.816 9.303 -10.899 1.00 0.00 C ATOM 705 C SER A 50 19.452 8.283 -11.837 1.00 0.00 C ATOM 706 O SER A 50 18.942 8.028 -12.929 1.00 0.00 O ATOM 707 CB SER A 50 19.584 10.624 -10.968 1.00 0.00 C ATOM 708 OG SER A 50 19.340 11.418 -9.820 1.00 0.00 O ATOM 0 H SER A 50 19.419 8.022 -9.352 1.00 0.00 H new ATOM 0 HA SER A 50 17.787 9.470 -11.218 1.00 0.00 H new ATOM 0 HB2 SER A 50 20.652 10.423 -11.054 1.00 0.00 H new ATOM 0 HB3 SER A 50 19.290 11.173 -11.863 1.00 0.00 H new ATOM 0 HG SER A 50 18.394 11.354 -9.573 1.00 0.00 H new ATOM 714 N GLU A 51 20.567 7.702 -11.406 1.00 0.00 N ATOM 715 CA GLU A 51 21.271 6.708 -12.210 1.00 0.00 C ATOM 716 C GLU A 51 21.231 5.334 -11.547 1.00 0.00 C ATOM 717 O GLU A 51 22.078 4.482 -11.815 1.00 0.00 O ATOM 718 CB GLU A 51 22.724 7.138 -12.428 1.00 0.00 C ATOM 719 CG GLU A 51 23.402 6.423 -13.585 1.00 0.00 C ATOM 720 CD GLU A 51 24.902 6.309 -13.400 1.00 0.00 C ATOM 721 OE1 GLU A 51 25.333 5.626 -12.447 1.00 0.00 O ATOM 722 OE2 GLU A 51 25.646 6.903 -14.208 1.00 0.00 O ATOM 0 H GLU A 51 21.003 7.902 -10.506 1.00 0.00 H new ATOM 0 HA GLU A 51 20.767 6.638 -13.174 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.753 8.213 -12.608 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.290 6.953 -11.515 1.00 0.00 H new ATOM 0 HG2 GLU A 51 22.976 5.425 -13.691 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.193 6.959 -14.511 1.00 0.00 H new ATOM 729 N TRP A 52 20.242 5.123 -10.682 1.00 0.00 N ATOM 730 CA TRP A 52 20.096 3.851 -9.986 1.00 0.00 C ATOM 731 C TRP A 52 18.859 3.103 -10.473 1.00 0.00 C ATOM 732 O TRP A 52 17.769 3.261 -9.923 1.00 0.00 O ATOM 733 CB TRP A 52 20.008 4.081 -8.476 1.00 0.00 C ATOM 734 CG TRP A 52 21.317 4.451 -7.857 1.00 0.00 C ATOM 735 CD1 TRP A 52 22.377 3.624 -7.646 1.00 0.00 C ATOM 736 CD2 TRP A 52 21.706 5.740 -7.367 1.00 0.00 C ATOM 737 NE1 TRP A 52 23.407 4.315 -7.055 1.00 0.00 N ATOM 738 CE2 TRP A 52 23.019 5.618 -6.874 1.00 0.00 C ATOM 739 CE3 TRP A 52 21.073 6.984 -7.299 1.00 0.00 C ATOM 740 CZ2 TRP A 52 23.709 6.693 -6.320 1.00 0.00 C ATOM 741 CZ3 TRP A 52 21.760 8.051 -6.749 1.00 0.00 C ATOM 742 CH2 TRP A 52 23.066 7.899 -6.266 1.00 0.00 C ATOM 0 H TRP A 52 19.532 5.816 -10.448 1.00 0.00 H new ATOM 0 HA TRP A 52 20.974 3.242 -10.203 1.00 0.00 H new ATOM 0 HB2 TRP A 52 19.284 4.871 -8.277 1.00 0.00 H new ATOM 0 HB3 TRP A 52 19.631 3.176 -7.999 1.00 0.00 H new ATOM 0 HD1 TRP A 52 22.405 2.576 -7.906 1.00 0.00 H new ATOM 0 HE1 TRP A 52 24.312 3.923 -6.794 1.00 0.00 H new ATOM 0 HE3 TRP A 52 20.066 7.110 -7.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 24.716 6.579 -5.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 21.282 9.017 -6.691 1.00 0.00 H new ATOM 0 HH2 TRP A 52 23.576 8.752 -5.842 1.00 0.00 H new ATOM 753 N ARG A 53 19.037 2.287 -11.507 1.00 0.00 N ATOM 754 CA ARG A 53 17.933 1.513 -12.068 1.00 0.00 C ATOM 755 C ARG A 53 18.315 0.043 -12.219 1.00 0.00 C ATOM 756 O ARG A 53 17.518 -0.847 -11.921 1.00 0.00 O ATOM 757 CB ARG A 53 17.511 2.086 -13.425 1.00 0.00 C ATOM 758 CG ARG A 53 18.670 2.602 -14.263 1.00 0.00 C ATOM 759 CD ARG A 53 18.435 2.365 -15.745 1.00 0.00 C ATOM 760 NE ARG A 53 18.377 0.942 -16.070 1.00 0.00 N ATOM 761 CZ ARG A 53 17.842 0.458 -17.188 1.00 0.00 C ATOM 762 NH1 ARG A 53 17.317 1.277 -18.091 1.00 0.00 N ATOM 763 NH2 ARG A 53 17.831 -0.850 -17.405 1.00 0.00 N ATOM 0 H ARG A 53 19.933 2.144 -11.973 1.00 0.00 H new ATOM 0 HA ARG A 53 17.092 1.581 -11.377 1.00 0.00 H new ATOM 0 HB2 ARG A 53 16.985 1.314 -13.987 1.00 0.00 H new ATOM 0 HB3 ARG A 53 16.804 2.899 -13.261 1.00 0.00 H new ATOM 0 HG2 ARG A 53 18.805 3.668 -14.081 1.00 0.00 H new ATOM 0 HG3 ARG A 53 19.591 2.107 -13.956 1.00 0.00 H new ATOM 0 HD2 ARG A 53 17.503 2.844 -16.045 1.00 0.00 H new ATOM 0 HD3 ARG A 53 19.234 2.835 -16.318 1.00 0.00 H new ATOM 0 HE ARG A 53 18.770 0.280 -15.400 1.00 0.00 H new ATOM 0 HH11 ARG A 53 17.322 2.284 -17.930 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.909 0.899 -18.946 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.233 -1.485 -16.715 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.421 -1.221 -18.262 1.00 0.00 H new ATOM 777 N THR A 54 19.536 -0.206 -12.683 1.00 0.00 N ATOM 778 CA THR A 54 20.017 -1.569 -12.871 1.00 0.00 C ATOM 779 C THR A 54 20.339 -2.223 -11.532 1.00 0.00 C ATOM 780 O THR A 54 21.029 -1.641 -10.695 1.00 0.00 O ATOM 781 CB THR A 54 21.259 -1.574 -13.765 1.00 0.00 C ATOM 782 OG1 THR A 54 22.239 -0.681 -13.266 1.00 0.00 O ATOM 783 CG2 THR A 54 20.968 -1.183 -15.197 1.00 0.00 C ATOM 0 H THR A 54 20.209 0.518 -12.935 1.00 0.00 H new ATOM 0 HA THR A 54 19.226 -2.143 -13.354 1.00 0.00 H new ATOM 0 HB THR A 54 21.619 -2.603 -13.753 1.00 0.00 H new ATOM 0 HG1 THR A 54 23.026 -0.699 -13.850 1.00 0.00 H new ATOM 0 HG21 THR A 54 21.891 -1.207 -15.776 1.00 0.00 H new ATOM 0 HG22 THR A 54 20.252 -1.883 -15.627 1.00 0.00 H new ATOM 0 HG23 THR A 54 20.551 -0.176 -15.222 1.00 0.00 H new ATOM 791 N PHE A 55 19.833 -3.435 -11.335 1.00 0.00 N ATOM 792 CA PHE A 55 20.066 -4.169 -10.096 1.00 0.00 C ATOM 793 C PHE A 55 21.322 -5.027 -10.201 1.00 0.00 C ATOM 794 O PHE A 55 21.985 -5.052 -11.237 1.00 0.00 O ATOM 795 CB PHE A 55 18.859 -5.049 -9.765 1.00 0.00 C ATOM 796 CG PHE A 55 17.626 -4.268 -9.411 1.00 0.00 C ATOM 797 CD1 PHE A 55 16.769 -3.814 -10.401 1.00 0.00 C ATOM 798 CD2 PHE A 55 17.325 -3.986 -8.088 1.00 0.00 C ATOM 799 CE1 PHE A 55 15.634 -3.094 -10.077 1.00 0.00 C ATOM 800 CE2 PHE A 55 16.192 -3.267 -7.759 1.00 0.00 C ATOM 801 CZ PHE A 55 15.345 -2.821 -8.755 1.00 0.00 C ATOM 0 H PHE A 55 19.259 -3.930 -12.017 1.00 0.00 H new ATOM 0 HA PHE A 55 20.209 -3.444 -9.295 1.00 0.00 H new ATOM 0 HB2 PHE A 55 18.641 -5.689 -10.620 1.00 0.00 H new ATOM 0 HB3 PHE A 55 19.115 -5.705 -8.933 1.00 0.00 H new ATOM 0 HD1 PHE A 55 16.990 -4.025 -11.437 1.00 0.00 H new ATOM 0 HD2 PHE A 55 17.984 -4.332 -7.305 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.974 -2.745 -10.858 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.969 -3.054 -6.724 1.00 0.00 H new ATOM 0 HZ PHE A 55 14.458 -2.260 -8.500 1.00 0.00 H new ATOM 811 N SER A 56 21.644 -5.731 -9.120 1.00 0.00 N ATOM 812 CA SER A 56 22.821 -6.591 -9.090 1.00 0.00 C ATOM 813 C SER A 56 22.538 -7.874 -8.314 1.00 0.00 C ATOM 814 O SER A 56 22.032 -7.834 -7.192 1.00 0.00 O ATOM 815 CB SER A 56 24.004 -5.851 -8.462 1.00 0.00 C ATOM 816 OG SER A 56 25.237 -6.375 -8.924 1.00 0.00 O ATOM 0 H SER A 56 21.106 -5.722 -8.253 1.00 0.00 H new ATOM 0 HA SER A 56 23.072 -6.857 -10.117 1.00 0.00 H new ATOM 0 HB2 SER A 56 23.943 -4.790 -8.704 1.00 0.00 H new ATOM 0 HB3 SER A 56 23.954 -5.934 -7.376 1.00 0.00 H new ATOM 0 HG SER A 56 25.977 -5.884 -8.509 1.00 0.00 H new ATOM 822 N ASN A 57 22.869 -9.010 -8.919 1.00 0.00 N ATOM 823 CA ASN A 57 22.649 -10.305 -8.284 1.00 0.00 C ATOM 824 C ASN A 57 23.929 -11.134 -8.283 1.00 0.00 C ATOM 825 O ASN A 57 24.181 -11.908 -9.207 1.00 0.00 O ATOM 826 CB ASN A 57 21.535 -11.068 -9.003 1.00 0.00 C ATOM 827 CG ASN A 57 21.124 -12.326 -8.264 1.00 0.00 C ATOM 828 OD1 ASN A 57 20.421 -12.265 -7.255 1.00 0.00 O ATOM 829 ND2 ASN A 57 21.564 -13.475 -8.763 1.00 0.00 N ATOM 0 H ASN A 57 23.290 -9.061 -9.847 1.00 0.00 H new ATOM 0 HA ASN A 57 22.350 -10.128 -7.251 1.00 0.00 H new ATOM 0 HB2 ASN A 57 20.668 -10.417 -9.117 1.00 0.00 H new ATOM 0 HB3 ASN A 57 21.869 -11.332 -10.006 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.322 -14.355 -8.308 1.00 0.00 H new ATOM 0 HD22 ASN A 57 22.144 -13.478 -9.602 1.00 0.00 H new ATOM 836 N ASP A 58 24.735 -10.968 -7.239 1.00 0.00 N ATOM 837 CA ASP A 58 25.990 -11.702 -7.116 1.00 0.00 C ATOM 838 C ASP A 58 25.904 -12.744 -6.007 1.00 0.00 C ATOM 839 O ASP A 58 24.963 -12.743 -5.212 1.00 0.00 O ATOM 840 CB ASP A 58 27.145 -10.736 -6.841 1.00 0.00 C ATOM 841 CG ASP A 58 28.001 -10.493 -8.069 1.00 0.00 C ATOM 842 OD1 ASP A 58 28.785 -11.393 -8.433 1.00 0.00 O ATOM 843 OD2 ASP A 58 27.887 -9.402 -8.666 1.00 0.00 O ATOM 0 H ASP A 58 24.542 -10.332 -6.466 1.00 0.00 H new ATOM 0 HA ASP A 58 26.175 -12.218 -8.058 1.00 0.00 H new ATOM 0 HB2 ASP A 58 26.744 -9.786 -6.487 1.00 0.00 H new ATOM 0 HB3 ASP A 58 27.768 -11.137 -6.041 1.00 0.00 H new ATOM 848 N LYS A 59 26.891 -13.632 -5.957 1.00 0.00 N ATOM 849 CA LYS A 59 26.927 -14.680 -4.944 1.00 0.00 C ATOM 850 C LYS A 59 27.589 -14.178 -3.665 1.00 0.00 C ATOM 851 O LYS A 59 27.026 -13.355 -2.943 1.00 0.00 O ATOM 852 CB LYS A 59 27.674 -15.905 -5.474 1.00 0.00 C ATOM 853 CG LYS A 59 27.056 -17.227 -5.047 1.00 0.00 C ATOM 854 CD LYS A 59 25.666 -17.410 -5.638 1.00 0.00 C ATOM 855 CE LYS A 59 24.583 -17.216 -4.589 1.00 0.00 C ATOM 856 NZ LYS A 59 24.010 -18.513 -4.135 1.00 0.00 N ATOM 857 OXT LYS A 59 28.881 -14.671 -3.299 1.00 0.00 O ATOM 0 H LYS A 59 27.677 -13.647 -6.607 1.00 0.00 H new ATOM 0 HA LYS A 59 25.900 -14.963 -4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 59 27.701 -15.861 -6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 59 28.707 -15.868 -5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.698 -18.049 -5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 59 26.998 -17.268 -3.959 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.519 -16.698 -6.450 1.00 0.00 H new ATOM 0 HD3 LYS A 59 25.582 -18.408 -6.069 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.998 -16.683 -3.733 1.00 0.00 H new ATOM 0 HE3 LYS A 59 23.789 -16.592 -4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 23.275 -18.337 -3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 23.591 -19.011 -4.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 24.763 -19.099 -3.721 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.300 -16.063 -3.601 1.00 0.00 ZN