USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 603 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 6 SER OG : rot 170:sc= 0.305 USER MOD Set 1.2: A 10 THR OG1 : rot 75:sc= 0.949 USER MOD Set 1.3: A 46 LYS NZ :NH3+ -161:sc= 2.47 (180deg=-0.675!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0017 USER MOD Single : A 15 THR OG1 : rot 140:sc= -1.17 USER MOD Single : A 16 THR OG1 : rot -36:sc= 0.589 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0128 USER MOD Single : A 27 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 THR OG1 : rot -29:sc= -2.31! USER MOD Single : A 30 THR OG1 : rot -40:sc= 0.226 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 41 THR OG1 : rot 170:sc= -0.0433 USER MOD Single : A 42 LYS NZ :NH3+ 146:sc= 0.424 (180deg=0.0703) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -170:sc= 0 (180deg=-0.146) USER MOD Single : A 66 LYS NZ :NH3+ 169:sc= -0.0325 (180deg=-0.191) USER MOD Single : A 67 SER OG : rot 68:sc= 1.2 USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 73 MET CE :methyl -159:sc= -0.171 (180deg=-0.685) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -10.034 -15.301 10.125 1.00 72.12 N ATOM 2 CA GLY A 2 -10.039 -14.224 11.089 1.00 24.02 C ATOM 3 C GLY A 2 -10.880 -13.062 10.620 1.00 33.40 C ATOM 4 O GLY A 2 -11.837 -13.245 9.855 1.00 51.22 O ATOM 0 HA2 GLY A 2 -10.422 -14.590 12.042 1.00 24.02 H new ATOM 0 HA3 GLY A 2 -9.017 -13.887 11.264 1.00 24.02 H new ATOM 8 N SER A 3 -10.529 -11.876 11.038 1.00 52.22 N ATOM 9 CA SER A 3 -11.261 -10.691 10.660 1.00 23.13 C ATOM 10 C SER A 3 -10.811 -10.185 9.283 1.00 25.42 C ATOM 11 O SER A 3 -10.308 -9.061 9.140 1.00 22.22 O ATOM 12 CB SER A 3 -11.100 -9.619 11.731 1.00 55.23 C ATOM 13 OG SER A 3 -11.535 -10.123 12.990 1.00 50.32 O ATOM 0 H SER A 3 -9.731 -11.701 11.648 1.00 52.22 H new ATOM 0 HA SER A 3 -12.320 -10.939 10.581 1.00 23.13 H new ATOM 0 HB2 SER A 3 -10.057 -9.309 11.794 1.00 55.23 H new ATOM 0 HB3 SER A 3 -11.679 -8.735 11.463 1.00 55.23 H new ATOM 0 HG SER A 3 -11.427 -9.430 13.675 1.00 50.32 H new ATOM 19 N GLU A 4 -10.980 -11.038 8.291 1.00 35.44 N ATOM 20 CA GLU A 4 -10.639 -10.747 6.923 1.00 4.44 C ATOM 21 C GLU A 4 -11.777 -11.049 5.988 1.00 12.02 C ATOM 22 O GLU A 4 -11.864 -12.134 5.406 1.00 22.50 O ATOM 23 CB GLU A 4 -9.350 -11.449 6.483 1.00 15.10 C ATOM 24 CG GLU A 4 -8.086 -10.755 6.943 1.00 61.23 C ATOM 25 CD GLU A 4 -7.852 -9.462 6.182 1.00 54.33 C ATOM 26 OE1 GLU A 4 -8.549 -8.460 6.421 1.00 71.44 O ATOM 27 OE2 GLU A 4 -6.969 -9.434 5.320 1.00 41.01 O ATOM 0 H GLU A 4 -11.367 -11.972 8.423 1.00 35.44 H new ATOM 0 HA GLU A 4 -10.449 -9.675 6.872 1.00 4.44 H new ATOM 0 HB2 GLU A 4 -9.354 -12.469 6.868 1.00 15.10 H new ATOM 0 HB3 GLU A 4 -9.339 -11.519 5.395 1.00 15.10 H new ATOM 0 HG2 GLU A 4 -8.154 -10.543 8.010 1.00 61.23 H new ATOM 0 HG3 GLU A 4 -7.233 -11.420 6.804 1.00 61.23 H new ATOM 34 N VAL A 5 -12.676 -10.116 5.914 1.00 51.11 N ATOM 35 CA VAL A 5 -13.776 -10.157 5.011 1.00 60.11 C ATOM 36 C VAL A 5 -13.737 -8.900 4.153 1.00 52.55 C ATOM 37 O VAL A 5 -14.340 -7.870 4.469 1.00 51.30 O ATOM 38 CB VAL A 5 -15.167 -10.368 5.722 1.00 12.20 C ATOM 39 CG1 VAL A 5 -15.262 -11.777 6.281 1.00 21.34 C ATOM 40 CG2 VAL A 5 -15.377 -9.362 6.859 1.00 25.11 C ATOM 0 H VAL A 5 -12.660 -9.281 6.500 1.00 51.11 H new ATOM 0 HA VAL A 5 -13.673 -11.036 4.375 1.00 60.11 H new ATOM 0 HB VAL A 5 -15.943 -10.212 4.973 1.00 12.20 H new ATOM 0 HG11 VAL A 5 -16.227 -11.910 6.770 1.00 21.34 H new ATOM 0 HG12 VAL A 5 -15.164 -12.498 5.469 1.00 21.34 H new ATOM 0 HG13 VAL A 5 -14.464 -11.935 7.006 1.00 21.34 H new ATOM 0 HG21 VAL A 5 -16.346 -9.538 7.326 1.00 25.11 H new ATOM 0 HG22 VAL A 5 -14.589 -9.483 7.602 1.00 25.11 H new ATOM 0 HG23 VAL A 5 -15.346 -8.349 6.459 1.00 25.11 H new ATOM 50 N SER A 6 -12.960 -8.977 3.110 1.00 22.21 N ATOM 51 CA SER A 6 -12.679 -7.854 2.264 1.00 3.04 C ATOM 52 C SER A 6 -13.855 -7.492 1.362 1.00 2.02 C ATOM 53 O SER A 6 -14.228 -8.255 0.470 1.00 42.03 O ATOM 54 CB SER A 6 -11.434 -8.152 1.421 1.00 70.41 C ATOM 55 OG SER A 6 -10.322 -8.484 2.255 1.00 63.12 O ATOM 0 H SER A 6 -12.496 -9.838 2.819 1.00 22.21 H new ATOM 0 HA SER A 6 -12.499 -6.992 2.906 1.00 3.04 H new ATOM 0 HB2 SER A 6 -11.641 -8.976 0.738 1.00 70.41 H new ATOM 0 HB3 SER A 6 -11.188 -7.285 0.808 1.00 70.41 H new ATOM 0 HG SER A 6 -9.589 -8.825 1.702 1.00 63.12 H new ATOM 61 N ASP A 7 -14.459 -6.350 1.620 1.00 32.25 N ATOM 62 CA ASP A 7 -15.482 -5.831 0.726 1.00 62.44 C ATOM 63 C ASP A 7 -14.792 -5.072 -0.370 1.00 4.35 C ATOM 64 O ASP A 7 -15.152 -5.183 -1.546 1.00 71.43 O ATOM 65 CB ASP A 7 -16.484 -4.914 1.443 1.00 60.35 C ATOM 66 CG ASP A 7 -17.286 -5.614 2.502 1.00 43.41 C ATOM 67 OD1 ASP A 7 -16.831 -5.682 3.655 1.00 1.40 O ATOM 68 OD2 ASP A 7 -18.400 -6.097 2.210 1.00 2.14 O ATOM 0 H ASP A 7 -14.264 -5.766 2.433 1.00 32.25 H new ATOM 0 HA ASP A 7 -16.056 -6.669 0.331 1.00 62.44 H new ATOM 0 HB2 ASP A 7 -15.944 -4.084 1.897 1.00 60.35 H new ATOM 0 HB3 ASP A 7 -17.164 -4.486 0.707 1.00 60.35 H new ATOM 73 N LYS A 8 -13.778 -4.301 0.032 1.00 44.21 N ATOM 74 CA LYS A 8 -12.927 -3.564 -0.888 1.00 24.22 C ATOM 75 C LYS A 8 -11.687 -2.994 -0.197 1.00 5.43 C ATOM 76 O LYS A 8 -10.578 -3.176 -0.667 1.00 50.12 O ATOM 77 CB LYS A 8 -13.684 -2.467 -1.642 1.00 10.10 C ATOM 78 CG LYS A 8 -14.376 -1.425 -0.784 1.00 53.24 C ATOM 79 CD LYS A 8 -14.923 -0.320 -1.652 1.00 4.25 C ATOM 80 CE LYS A 8 -15.993 -0.814 -2.613 1.00 22.12 C ATOM 81 NZ LYS A 8 -16.409 0.240 -3.554 1.00 22.45 N ATOM 0 H LYS A 8 -13.528 -4.174 1.013 1.00 44.21 H new ATOM 0 HA LYS A 8 -12.591 -4.291 -1.627 1.00 24.22 H new ATOM 0 HB2 LYS A 8 -12.982 -1.957 -2.302 1.00 10.10 H new ATOM 0 HB3 LYS A 8 -14.432 -2.941 -2.277 1.00 10.10 H new ATOM 0 HG2 LYS A 8 -15.185 -1.887 -0.218 1.00 53.24 H new ATOM 0 HG3 LYS A 8 -13.673 -1.015 -0.059 1.00 53.24 H new ATOM 0 HD2 LYS A 8 -15.341 0.463 -1.019 1.00 4.25 H new ATOM 0 HD3 LYS A 8 -14.108 0.130 -2.220 1.00 4.25 H new ATOM 0 HE2 LYS A 8 -15.614 -1.671 -3.170 1.00 22.12 H new ATOM 0 HE3 LYS A 8 -16.859 -1.159 -2.048 1.00 22.12 H new ATOM 0 HZ1 LYS A 8 -17.139 -0.134 -4.193 1.00 22.45 H new ATOM 0 HZ2 LYS A 8 -16.794 1.047 -3.023 1.00 22.45 H new ATOM 0 HZ3 LYS A 8 -15.588 0.552 -4.111 1.00 22.45 H new ATOM 95 N ARG A 9 -11.880 -2.323 0.924 1.00 62.35 N ATOM 96 CA ARG A 9 -10.766 -1.682 1.614 1.00 51.23 C ATOM 97 C ARG A 9 -10.353 -2.415 2.895 1.00 61.32 C ATOM 98 O ARG A 9 -9.174 -2.692 3.095 1.00 41.34 O ATOM 99 CB ARG A 9 -11.080 -0.213 1.945 1.00 73.23 C ATOM 100 CG ARG A 9 -11.322 0.697 0.749 1.00 71.15 C ATOM 101 CD ARG A 9 -11.567 2.139 1.197 1.00 34.14 C ATOM 102 NE ARG A 9 -10.401 2.698 1.899 1.00 1.14 N ATOM 103 CZ ARG A 9 -10.433 3.699 2.805 1.00 62.12 C ATOM 104 NH1 ARG A 9 -11.581 4.291 3.125 1.00 74.13 N ATOM 105 NH2 ARG A 9 -9.307 4.091 3.393 1.00 24.24 N ATOM 0 H ARG A 9 -12.787 -2.206 1.376 1.00 62.35 H new ATOM 0 HA ARG A 9 -9.927 -1.727 0.920 1.00 51.23 H new ATOM 0 HB2 ARG A 9 -11.963 -0.185 2.584 1.00 73.23 H new ATOM 0 HB3 ARG A 9 -10.252 0.194 2.526 1.00 73.23 H new ATOM 0 HG2 ARG A 9 -10.462 0.661 0.081 1.00 71.15 H new ATOM 0 HG3 ARG A 9 -12.181 0.338 0.182 1.00 71.15 H new ATOM 0 HD2 ARG A 9 -11.798 2.755 0.328 1.00 34.14 H new ATOM 0 HD3 ARG A 9 -12.437 2.173 1.853 1.00 34.14 H new ATOM 0 HE ARG A 9 -9.490 2.295 1.683 1.00 1.14 H new ATOM 0 HH11 ARG A 9 -12.450 3.990 2.684 1.00 74.13 H new ATOM 0 HH12 ARG A 9 -11.592 5.046 3.811 1.00 74.13 H new ATOM 0 HH21 ARG A 9 -8.424 3.636 3.159 1.00 24.24 H new ATOM 0 HH22 ARG A 9 -9.326 4.847 4.078 1.00 24.24 H new ATOM 119 N THR A 10 -11.328 -2.678 3.785 1.00 53.34 N ATOM 120 CA THR A 10 -11.100 -3.307 5.121 1.00 43.53 C ATOM 121 C THR A 10 -10.492 -2.283 6.116 1.00 13.14 C ATOM 122 O THR A 10 -10.759 -2.310 7.321 1.00 0.42 O ATOM 123 CB THR A 10 -10.194 -4.567 5.035 1.00 64.12 C ATOM 124 OG1 THR A 10 -10.744 -5.494 4.085 1.00 72.11 O ATOM 125 CG2 THR A 10 -10.079 -5.257 6.390 1.00 64.44 C ATOM 0 H THR A 10 -12.309 -2.462 3.605 1.00 53.34 H new ATOM 0 HA THR A 10 -12.075 -3.628 5.487 1.00 43.53 H new ATOM 0 HB THR A 10 -9.201 -4.247 4.720 1.00 64.12 H new ATOM 0 HG1 THR A 10 -10.581 -5.166 3.176 1.00 72.11 H new ATOM 0 HG21 THR A 10 -9.439 -6.135 6.298 1.00 64.44 H new ATOM 0 HG22 THR A 10 -9.646 -4.567 7.114 1.00 64.44 H new ATOM 0 HG23 THR A 10 -11.069 -5.563 6.727 1.00 64.44 H new ATOM 133 N CYS A 11 -9.722 -1.387 5.588 1.00 62.24 N ATOM 134 CA CYS A 11 -9.086 -0.345 6.330 1.00 54.25 C ATOM 135 C CYS A 11 -9.697 0.978 5.919 1.00 31.01 C ATOM 136 O CYS A 11 -10.081 1.156 4.758 1.00 23.24 O ATOM 137 CB CYS A 11 -7.588 -0.380 6.034 1.00 22.24 C ATOM 138 SG CYS A 11 -6.639 1.047 6.621 1.00 63.45 S ATOM 0 H CYS A 11 -9.510 -1.359 4.591 1.00 62.24 H new ATOM 0 HA CYS A 11 -9.230 -0.477 7.402 1.00 54.25 H new ATOM 0 HB2 CYS A 11 -7.169 -1.281 6.481 1.00 22.24 H new ATOM 0 HB3 CYS A 11 -7.451 -0.466 4.956 1.00 22.24 H new ATOM 143 N VAL A 12 -9.831 1.881 6.863 1.00 1.53 N ATOM 144 CA VAL A 12 -10.455 3.163 6.615 1.00 75.40 C ATOM 145 C VAL A 12 -9.498 4.305 6.948 1.00 5.34 C ATOM 146 O VAL A 12 -9.341 5.254 6.156 1.00 31.14 O ATOM 147 CB VAL A 12 -11.754 3.334 7.464 1.00 61.34 C ATOM 148 CG1 VAL A 12 -12.452 4.650 7.151 1.00 41.13 C ATOM 149 CG2 VAL A 12 -12.706 2.171 7.256 1.00 63.13 C ATOM 0 H VAL A 12 -9.512 1.749 7.823 1.00 1.53 H new ATOM 0 HA VAL A 12 -10.711 3.195 5.556 1.00 75.40 H new ATOM 0 HB VAL A 12 -11.454 3.348 8.512 1.00 61.34 H new ATOM 0 HG11 VAL A 12 -13.353 4.738 7.759 1.00 41.13 H new ATOM 0 HG12 VAL A 12 -11.781 5.480 7.374 1.00 41.13 H new ATOM 0 HG13 VAL A 12 -12.723 4.676 6.095 1.00 41.13 H new ATOM 0 HG21 VAL A 12 -13.600 2.320 7.861 1.00 63.13 H new ATOM 0 HG22 VAL A 12 -12.985 2.113 6.204 1.00 63.13 H new ATOM 0 HG23 VAL A 12 -12.217 1.243 7.554 1.00 63.13 H new ATOM 159 N SER A 13 -8.839 4.194 8.086 1.00 61.54 N ATOM 160 CA SER A 13 -8.003 5.267 8.589 1.00 31.30 C ATOM 161 C SER A 13 -6.572 5.148 8.135 1.00 3.44 C ATOM 162 O SER A 13 -6.059 4.051 7.962 1.00 22.11 O ATOM 163 CB SER A 13 -8.061 5.303 10.098 1.00 62.53 C ATOM 164 OG SER A 13 -7.731 4.036 10.655 1.00 14.14 O ATOM 0 H SER A 13 -8.867 3.367 8.682 1.00 61.54 H new ATOM 0 HA SER A 13 -8.395 6.197 8.179 1.00 31.30 H new ATOM 0 HB2 SER A 13 -7.371 6.059 10.473 1.00 62.53 H new ATOM 0 HB3 SER A 13 -9.061 5.596 10.419 1.00 62.53 H new ATOM 0 HG SER A 13 -7.774 4.087 11.633 1.00 14.14 H new ATOM 170 N LEU A 14 -5.927 6.272 7.988 1.00 13.35 N ATOM 171 CA LEU A 14 -4.572 6.320 7.521 1.00 14.20 C ATOM 172 C LEU A 14 -3.632 6.464 8.716 1.00 51.44 C ATOM 173 O LEU A 14 -3.979 7.108 9.709 1.00 24.14 O ATOM 174 CB LEU A 14 -4.376 7.471 6.501 1.00 62.51 C ATOM 175 CG LEU A 14 -5.315 7.468 5.251 1.00 31.54 C ATOM 176 CD1 LEU A 14 -6.748 7.894 5.580 1.00 22.50 C ATOM 177 CD2 LEU A 14 -4.749 8.304 4.124 1.00 45.53 C ATOM 0 H LEU A 14 -6.331 7.186 8.191 1.00 13.35 H new ATOM 0 HA LEU A 14 -4.337 5.391 7.001 1.00 14.20 H new ATOM 0 HB2 LEU A 14 -4.510 8.417 7.025 1.00 62.51 H new ATOM 0 HB3 LEU A 14 -3.344 7.444 6.152 1.00 62.51 H new ATOM 0 HG LEU A 14 -5.363 6.432 4.916 1.00 31.54 H new ATOM 0 HD11 LEU A 14 -7.352 7.872 4.673 1.00 22.50 H new ATOM 0 HD12 LEU A 14 -7.172 7.209 6.314 1.00 22.50 H new ATOM 0 HD13 LEU A 14 -6.743 8.905 5.988 1.00 22.50 H new ATOM 0 HD21 LEU A 14 -5.430 8.277 3.273 1.00 45.53 H new ATOM 0 HD22 LEU A 14 -4.629 9.334 4.460 1.00 45.53 H new ATOM 0 HD23 LEU A 14 -3.780 7.904 3.826 1.00 45.53 H new ATOM 189 N THR A 15 -2.482 5.845 8.635 1.00 34.51 N ATOM 190 CA THR A 15 -1.523 5.845 9.718 1.00 43.23 C ATOM 191 C THR A 15 -0.612 7.080 9.651 1.00 21.30 C ATOM 192 O THR A 15 -0.541 7.765 8.622 1.00 4.23 O ATOM 193 CB THR A 15 -0.651 4.549 9.695 1.00 53.41 C ATOM 194 OG1 THR A 15 0.139 4.478 10.882 1.00 21.04 O ATOM 195 CG2 THR A 15 0.283 4.528 8.482 1.00 33.41 C ATOM 0 H THR A 15 -2.180 5.323 7.813 1.00 34.51 H new ATOM 0 HA THR A 15 -2.087 5.875 10.650 1.00 43.23 H new ATOM 0 HB THR A 15 -1.326 3.695 9.635 1.00 53.41 H new ATOM 0 HG1 THR A 15 0.162 3.553 11.205 1.00 21.04 H new ATOM 0 HG21 THR A 15 0.876 3.614 8.495 1.00 33.41 H new ATOM 0 HG22 THR A 15 -0.308 4.564 7.567 1.00 33.41 H new ATOM 0 HG23 THR A 15 0.947 5.392 8.519 1.00 33.41 H new ATOM 203 N THR A 16 0.073 7.354 10.739 1.00 11.33 N ATOM 204 CA THR A 16 0.984 8.462 10.798 1.00 0.33 C ATOM 205 C THR A 16 2.421 7.956 11.002 1.00 52.32 C ATOM 206 O THR A 16 3.363 8.747 11.143 1.00 15.33 O ATOM 207 CB THR A 16 0.580 9.482 11.917 1.00 21.20 C ATOM 208 OG1 THR A 16 1.465 10.612 11.916 1.00 75.43 O ATOM 209 CG2 THR A 16 0.605 8.833 13.294 1.00 32.13 C ATOM 0 H THR A 16 0.011 6.814 11.602 1.00 11.33 H new ATOM 0 HA THR A 16 0.934 8.993 9.847 1.00 0.33 H new ATOM 0 HB THR A 16 -0.436 9.813 11.701 1.00 21.20 H new ATOM 0 HG1 THR A 16 2.375 10.315 11.705 1.00 75.43 H new ATOM 0 HG21 THR A 16 0.320 9.567 14.048 1.00 32.13 H new ATOM 0 HG22 THR A 16 -0.097 7.999 13.316 1.00 32.13 H new ATOM 0 HG23 THR A 16 1.610 8.467 13.506 1.00 32.13 H new ATOM 217 N GLN A 17 2.591 6.651 11.014 1.00 20.13 N ATOM 218 CA GLN A 17 3.911 6.065 11.142 1.00 72.52 C ATOM 219 C GLN A 17 4.330 5.488 9.812 1.00 15.21 C ATOM 220 O GLN A 17 3.485 5.228 8.960 1.00 71.13 O ATOM 221 CB GLN A 17 3.965 5.008 12.260 1.00 41.02 C ATOM 222 CG GLN A 17 2.964 3.881 12.111 1.00 53.40 C ATOM 223 CD GLN A 17 3.075 2.845 13.209 1.00 31.10 C ATOM 224 OE1 GLN A 17 3.467 3.137 14.342 1.00 63.20 O ATOM 225 NE2 GLN A 17 2.716 1.637 12.896 1.00 23.31 N ATOM 0 H GLN A 17 1.832 5.974 10.937 1.00 20.13 H new ATOM 0 HA GLN A 17 4.614 6.847 11.428 1.00 72.52 H new ATOM 0 HB2 GLN A 17 4.968 4.583 12.292 1.00 41.02 H new ATOM 0 HB3 GLN A 17 3.797 5.502 13.217 1.00 41.02 H new ATOM 0 HG2 GLN A 17 1.956 4.295 12.110 1.00 53.40 H new ATOM 0 HG3 GLN A 17 3.111 3.397 11.146 1.00 53.40 H new ATOM 0 HE21 GLN A 17 2.397 1.429 11.950 1.00 23.31 H new ATOM 0 HE22 GLN A 17 2.753 0.896 13.596 1.00 23.31 H new ATOM 234 N ARG A 18 5.607 5.303 9.613 1.00 45.04 N ATOM 235 CA ARG A 18 6.069 4.806 8.352 1.00 61.40 C ATOM 236 C ARG A 18 6.362 3.333 8.444 1.00 72.33 C ATOM 237 O ARG A 18 6.489 2.775 9.539 1.00 75.43 O ATOM 238 CB ARG A 18 7.343 5.492 7.907 1.00 55.11 C ATOM 239 CG ARG A 18 7.302 6.993 7.913 1.00 13.52 C ATOM 240 CD ARG A 18 8.458 7.534 7.115 1.00 73.13 C ATOM 241 NE ARG A 18 9.769 7.032 7.572 1.00 11.15 N ATOM 242 CZ ARG A 18 10.916 7.144 6.880 1.00 43.14 C ATOM 243 NH1 ARG A 18 10.943 7.814 5.727 1.00 2.23 N ATOM 244 NH2 ARG A 18 12.034 6.603 7.349 1.00 42.45 N ATOM 0 H ARG A 18 6.337 5.487 10.301 1.00 45.04 H new ATOM 0 HA ARG A 18 5.275 5.005 7.632 1.00 61.40 H new ATOM 0 HB2 ARG A 18 8.157 5.165 8.554 1.00 55.11 H new ATOM 0 HB3 ARG A 18 7.583 5.156 6.898 1.00 55.11 H new ATOM 0 HG2 ARG A 18 6.360 7.343 7.490 1.00 13.52 H new ATOM 0 HG3 ARG A 18 7.349 7.364 8.937 1.00 13.52 H new ATOM 0 HD2 ARG A 18 8.321 7.270 6.066 1.00 73.13 H new ATOM 0 HD3 ARG A 18 8.453 8.622 7.173 1.00 73.13 H new ATOM 0 HE ARG A 18 9.807 6.566 8.479 1.00 11.15 H new ATOM 0 HH11 ARG A 18 10.091 8.244 5.367 1.00 2.23 H new ATOM 0 HH12 ARG A 18 11.816 7.896 5.205 1.00 2.23 H new ATOM 0 HH21 ARG A 18 12.024 6.101 8.237 1.00 42.45 H new ATOM 0 HH22 ARG A 18 12.903 6.690 6.822 1.00 42.45 H new ATOM 258 N LEU A 19 6.461 2.714 7.311 1.00 72.42 N ATOM 259 CA LEU A 19 6.857 1.339 7.198 1.00 53.31 C ATOM 260 C LEU A 19 8.026 1.288 6.243 1.00 63.12 C ATOM 261 O LEU A 19 8.060 2.070 5.285 1.00 71.11 O ATOM 262 CB LEU A 19 5.716 0.425 6.670 1.00 33.04 C ATOM 263 CG LEU A 19 4.506 0.135 7.594 1.00 64.54 C ATOM 264 CD1 LEU A 19 3.671 1.372 7.884 1.00 74.14 C ATOM 265 CD2 LEU A 19 3.645 -0.948 6.990 1.00 31.14 C ATOM 0 H LEU A 19 6.265 3.158 6.414 1.00 72.42 H new ATOM 0 HA LEU A 19 7.119 0.966 8.188 1.00 53.31 H new ATOM 0 HB2 LEU A 19 5.332 0.872 5.753 1.00 33.04 H new ATOM 0 HB3 LEU A 19 6.159 -0.532 6.396 1.00 33.04 H new ATOM 0 HG LEU A 19 4.908 -0.201 8.550 1.00 64.54 H new ATOM 0 HD11 LEU A 19 2.839 1.105 8.536 1.00 74.14 H new ATOM 0 HD12 LEU A 19 4.291 2.122 8.375 1.00 74.14 H new ATOM 0 HD13 LEU A 19 3.284 1.777 6.949 1.00 74.14 H new ATOM 0 HD21 LEU A 19 2.797 -1.146 7.645 1.00 31.14 H new ATOM 0 HD22 LEU A 19 3.282 -0.623 6.015 1.00 31.14 H new ATOM 0 HD23 LEU A 19 4.234 -1.858 6.873 1.00 31.14 H new ATOM 277 N PRO A 20 9.020 0.415 6.489 1.00 55.24 N ATOM 278 CA PRO A 20 10.164 0.277 5.602 1.00 13.40 C ATOM 279 C PRO A 20 9.696 -0.127 4.215 1.00 23.33 C ATOM 280 O PRO A 20 8.789 -0.966 4.073 1.00 23.33 O ATOM 281 CB PRO A 20 11.003 -0.849 6.211 1.00 60.25 C ATOM 282 CG PRO A 20 10.474 -1.071 7.583 1.00 23.00 C ATOM 283 CD PRO A 20 9.089 -0.489 7.639 1.00 4.41 C ATOM 0 HA PRO A 20 10.725 1.207 5.505 1.00 13.40 H new ATOM 0 HB2 PRO A 20 10.926 -1.757 5.613 1.00 60.25 H new ATOM 0 HB3 PRO A 20 12.058 -0.575 6.241 1.00 60.25 H new ATOM 0 HG2 PRO A 20 10.451 -2.135 7.816 1.00 23.00 H new ATOM 0 HG3 PRO A 20 11.118 -0.596 8.323 1.00 23.00 H new ATOM 0 HD2 PRO A 20 8.329 -1.268 7.577 1.00 4.41 H new ATOM 0 HD3 PRO A 20 8.921 0.046 8.574 1.00 4.41 H new ATOM 291 N CYS A 21 10.316 0.423 3.200 1.00 74.01 N ATOM 292 CA CYS A 21 9.881 0.184 1.845 1.00 73.45 C ATOM 293 C CYS A 21 10.229 -1.250 1.440 1.00 45.04 C ATOM 294 O CYS A 21 9.665 -1.813 0.502 1.00 61.04 O ATOM 295 CB CYS A 21 10.519 1.189 0.893 1.00 45.44 C ATOM 296 SG CYS A 21 9.541 1.472 -0.605 1.00 3.01 S ATOM 0 H CYS A 21 11.124 1.040 3.286 1.00 74.01 H new ATOM 0 HA CYS A 21 8.800 0.312 1.788 1.00 73.45 H new ATOM 0 HB2 CYS A 21 10.656 2.137 1.414 1.00 45.44 H new ATOM 0 HB3 CYS A 21 11.510 0.834 0.611 1.00 45.44 H new ATOM 301 N SER A 22 11.139 -1.841 2.195 1.00 54.22 N ATOM 302 CA SER A 22 11.559 -3.203 2.010 1.00 52.45 C ATOM 303 C SER A 22 10.444 -4.168 2.469 1.00 3.51 C ATOM 304 O SER A 22 10.439 -5.350 2.111 1.00 34.12 O ATOM 305 CB SER A 22 12.813 -3.434 2.852 1.00 13.53 C ATOM 306 OG SER A 22 13.773 -2.416 2.602 1.00 41.41 O ATOM 0 H SER A 22 11.611 -1.370 2.967 1.00 54.22 H new ATOM 0 HA SER A 22 11.768 -3.388 0.956 1.00 52.45 H new ATOM 0 HB2 SER A 22 12.551 -3.444 3.910 1.00 13.53 H new ATOM 0 HB3 SER A 22 13.240 -4.410 2.620 1.00 13.53 H new ATOM 0 HG SER A 22 14.570 -2.576 3.149 1.00 41.41 H new ATOM 312 N ARG A 23 9.496 -3.659 3.262 1.00 11.33 N ATOM 313 CA ARG A 23 8.431 -4.498 3.779 1.00 23.44 C ATOM 314 C ARG A 23 7.136 -4.299 2.994 1.00 4.00 C ATOM 315 O ARG A 23 6.129 -4.958 3.259 1.00 53.10 O ATOM 316 CB ARG A 23 8.220 -4.277 5.278 1.00 25.52 C ATOM 317 CG ARG A 23 9.491 -4.484 6.095 1.00 74.22 C ATOM 318 CD ARG A 23 9.230 -4.467 7.585 1.00 74.02 C ATOM 319 NE ARG A 23 8.440 -5.624 8.007 1.00 20.05 N ATOM 320 CZ ARG A 23 8.018 -5.854 9.250 1.00 3.11 C ATOM 321 NH1 ARG A 23 8.213 -4.958 10.201 1.00 41.11 N ATOM 322 NH2 ARG A 23 7.393 -6.969 9.532 1.00 15.31 N ATOM 0 H ARG A 23 9.451 -2.682 3.552 1.00 11.33 H new ATOM 0 HA ARG A 23 8.737 -5.536 3.646 1.00 23.44 H new ATOM 0 HB2 ARG A 23 7.850 -3.265 5.442 1.00 25.52 H new ATOM 0 HB3 ARG A 23 7.449 -4.960 5.636 1.00 25.52 H new ATOM 0 HG2 ARG A 23 9.945 -5.436 5.820 1.00 74.22 H new ATOM 0 HG3 ARG A 23 10.210 -3.704 5.846 1.00 74.22 H new ATOM 0 HD2 ARG A 23 10.179 -4.459 8.121 1.00 74.02 H new ATOM 0 HD3 ARG A 23 8.705 -3.550 7.852 1.00 74.02 H new ATOM 0 HE ARG A 23 8.193 -6.309 7.293 1.00 20.05 H new ATOM 0 HH11 ARG A 23 8.690 -4.082 9.987 1.00 41.11 H new ATOM 0 HH12 ARG A 23 7.887 -5.142 11.150 1.00 41.11 H new ATOM 0 HH21 ARG A 23 7.229 -7.661 8.801 1.00 15.31 H new ATOM 0 HH22 ARG A 23 7.070 -7.146 10.483 1.00 15.31 H new ATOM 336 N ILE A 24 7.175 -3.387 2.025 1.00 3.01 N ATOM 337 CA ILE A 24 6.042 -3.148 1.134 1.00 3.13 C ATOM 338 C ILE A 24 5.907 -4.338 0.197 1.00 73.13 C ATOM 339 O ILE A 24 6.870 -4.715 -0.469 1.00 23.05 O ATOM 340 CB ILE A 24 6.257 -1.877 0.252 1.00 73.44 C ATOM 341 CG1 ILE A 24 6.384 -0.594 1.107 1.00 60.10 C ATOM 342 CG2 ILE A 24 5.109 -1.746 -0.757 1.00 12.22 C ATOM 343 CD1 ILE A 24 5.091 -0.065 1.682 1.00 23.34 C ATOM 0 H ILE A 24 7.986 -2.797 1.836 1.00 3.01 H new ATOM 0 HA ILE A 24 5.154 -3.005 1.749 1.00 3.13 H new ATOM 0 HB ILE A 24 7.198 -1.995 -0.286 1.00 73.44 H new ATOM 0 HG12 ILE A 24 7.072 -0.792 1.929 1.00 60.10 H new ATOM 0 HG13 ILE A 24 6.835 0.187 0.495 1.00 60.10 H new ATOM 0 HG21 ILE A 24 5.263 -0.858 -1.370 1.00 12.22 H new ATOM 0 HG22 ILE A 24 5.084 -2.629 -1.396 1.00 12.22 H new ATOM 0 HG23 ILE A 24 4.163 -1.658 -0.223 1.00 12.22 H new ATOM 0 HD11 ILE A 24 5.292 0.835 2.263 1.00 23.34 H new ATOM 0 HD12 ILE A 24 4.403 0.173 0.871 1.00 23.34 H new ATOM 0 HD13 ILE A 24 4.644 -0.821 2.327 1.00 23.34 H new ATOM 355 N LYS A 25 4.752 -4.929 0.161 1.00 11.11 N ATOM 356 CA LYS A 25 4.506 -6.037 -0.726 1.00 73.33 C ATOM 357 C LYS A 25 3.805 -5.483 -1.959 1.00 2.33 C ATOM 358 O LYS A 25 4.212 -5.723 -3.098 1.00 55.43 O ATOM 359 CB LYS A 25 3.617 -7.045 0.007 1.00 53.22 C ATOM 360 CG LYS A 25 3.522 -8.468 -0.584 1.00 71.00 C ATOM 361 CD LYS A 25 2.850 -8.535 -1.946 1.00 1.33 C ATOM 362 CE LYS A 25 2.810 -9.965 -2.454 1.00 44.51 C ATOM 363 NZ LYS A 25 2.154 -10.071 -3.770 1.00 45.31 N ATOM 0 H LYS A 25 3.955 -4.663 0.739 1.00 11.11 H new ATOM 0 HA LYS A 25 5.426 -6.539 -1.027 1.00 73.33 H new ATOM 0 HB2 LYS A 25 3.977 -7.129 1.032 1.00 53.22 H new ATOM 0 HB3 LYS A 25 2.609 -6.632 0.056 1.00 53.22 H new ATOM 0 HG2 LYS A 25 4.527 -8.883 -0.667 1.00 71.00 H new ATOM 0 HG3 LYS A 25 2.972 -9.102 0.111 1.00 71.00 H new ATOM 0 HD2 LYS A 25 1.837 -8.140 -1.877 1.00 1.33 H new ATOM 0 HD3 LYS A 25 3.390 -7.907 -2.655 1.00 1.33 H new ATOM 0 HE2 LYS A 25 3.826 -10.352 -2.525 1.00 44.51 H new ATOM 0 HE3 LYS A 25 2.280 -10.590 -1.735 1.00 44.51 H new ATOM 0 HZ1 LYS A 25 2.150 -11.065 -4.077 1.00 45.31 H new ATOM 0 HZ2 LYS A 25 1.175 -9.727 -3.699 1.00 45.31 H new ATOM 0 HZ3 LYS A 25 2.673 -9.497 -4.464 1.00 45.31 H new ATOM 377 N THR A 26 2.767 -4.728 -1.713 1.00 1.44 N ATOM 378 CA THR A 26 1.982 -4.132 -2.751 1.00 2.42 C ATOM 379 C THR A 26 1.260 -2.933 -2.170 1.00 13.32 C ATOM 380 O THR A 26 1.181 -2.791 -0.942 1.00 40.42 O ATOM 381 CB THR A 26 0.932 -5.159 -3.320 1.00 54.31 C ATOM 382 OG1 THR A 26 0.171 -4.586 -4.400 1.00 13.14 O ATOM 383 CG2 THR A 26 -0.024 -5.637 -2.235 1.00 31.42 C ATOM 0 H THR A 26 2.442 -4.509 -0.771 1.00 1.44 H new ATOM 0 HA THR A 26 2.634 -3.828 -3.570 1.00 2.42 H new ATOM 0 HB THR A 26 1.499 -6.011 -3.695 1.00 54.31 H new ATOM 0 HG1 THR A 26 -0.471 -5.247 -4.734 1.00 13.14 H new ATOM 0 HG21 THR A 26 -0.735 -6.344 -2.662 1.00 31.42 H new ATOM 0 HG22 THR A 26 0.541 -6.125 -1.441 1.00 31.42 H new ATOM 0 HG23 THR A 26 -0.564 -4.784 -1.824 1.00 31.42 H new ATOM 391 N TYR A 27 0.755 -2.082 -3.021 1.00 43.30 N ATOM 392 CA TYR A 27 -0.037 -0.979 -2.570 1.00 45.42 C ATOM 393 C TYR A 27 -1.335 -1.006 -3.331 1.00 40.45 C ATOM 394 O TYR A 27 -1.420 -1.614 -4.404 1.00 64.35 O ATOM 395 CB TYR A 27 0.660 0.393 -2.784 1.00 71.34 C ATOM 396 CG TYR A 27 0.737 0.873 -4.220 1.00 13.14 C ATOM 397 CD1 TYR A 27 -0.349 1.512 -4.802 1.00 24.41 C ATOM 398 CD2 TYR A 27 1.877 0.711 -4.977 1.00 45.52 C ATOM 399 CE1 TYR A 27 -0.312 1.968 -6.085 1.00 41.43 C ATOM 400 CE2 TYR A 27 1.927 1.175 -6.286 1.00 4.34 C ATOM 401 CZ TYR A 27 0.825 1.802 -6.832 1.00 60.42 C ATOM 402 OH TYR A 27 0.866 2.278 -8.130 1.00 70.54 O ATOM 0 H TYR A 27 0.880 -2.135 -4.032 1.00 43.30 H new ATOM 0 HA TYR A 27 -0.193 -1.085 -1.496 1.00 45.42 H new ATOM 0 HB2 TYR A 27 0.132 1.144 -2.197 1.00 71.34 H new ATOM 0 HB3 TYR A 27 1.673 0.332 -2.386 1.00 71.34 H new ATOM 0 HD1 TYR A 27 -1.249 1.652 -4.221 1.00 24.41 H new ATOM 0 HD2 TYR A 27 2.738 0.220 -4.550 1.00 45.52 H new ATOM 0 HE1 TYR A 27 -1.175 2.458 -6.512 1.00 41.43 H new ATOM 0 HE2 TYR A 27 2.824 1.046 -6.873 1.00 4.34 H new ATOM 0 HH TYR A 27 0.285 3.063 -8.209 1.00 70.54 H new ATOM 412 N THR A 28 -2.314 -0.387 -2.791 1.00 42.42 N ATOM 413 CA THR A 28 -3.593 -0.248 -3.404 1.00 5.42 C ATOM 414 C THR A 28 -4.109 1.135 -3.158 1.00 1.51 C ATOM 415 O THR A 28 -4.260 1.539 -2.015 1.00 30.24 O ATOM 416 CB THR A 28 -4.604 -1.289 -2.870 1.00 53.40 C ATOM 417 OG1 THR A 28 -4.544 -1.358 -1.440 1.00 63.44 O ATOM 418 CG2 THR A 28 -4.356 -2.649 -3.466 1.00 54.54 C ATOM 0 H THR A 28 -2.252 0.057 -1.875 1.00 42.42 H new ATOM 0 HA THR A 28 -3.478 -0.423 -4.474 1.00 5.42 H new ATOM 0 HB THR A 28 -5.602 -0.966 -3.168 1.00 53.40 H new ATOM 0 HG1 THR A 28 -3.639 -1.131 -1.139 1.00 63.44 H new ATOM 0 HG21 THR A 28 -5.083 -3.358 -3.070 1.00 54.54 H new ATOM 0 HG22 THR A 28 -4.455 -2.595 -4.550 1.00 54.54 H new ATOM 0 HG23 THR A 28 -3.350 -2.981 -3.210 1.00 54.54 H new ATOM 426 N ILE A 29 -4.343 1.884 -4.181 1.00 54.32 N ATOM 427 CA ILE A 29 -4.917 3.159 -3.950 1.00 12.23 C ATOM 428 C ILE A 29 -6.420 2.992 -4.010 1.00 63.33 C ATOM 429 O ILE A 29 -6.963 2.512 -5.007 1.00 21.54 O ATOM 430 CB ILE A 29 -4.414 4.243 -4.938 1.00 74.11 C ATOM 431 CG1 ILE A 29 -2.876 4.408 -4.821 1.00 30.44 C ATOM 432 CG2 ILE A 29 -5.119 5.581 -4.679 1.00 13.33 C ATOM 433 CD1 ILE A 29 -2.301 5.442 -5.755 1.00 33.12 C ATOM 0 H ILE A 29 -4.152 1.645 -5.154 1.00 54.32 H new ATOM 0 HA ILE A 29 -4.609 3.522 -2.969 1.00 12.23 H new ATOM 0 HB ILE A 29 -4.653 3.922 -5.952 1.00 74.11 H new ATOM 0 HG12 ILE A 29 -2.626 4.680 -3.795 1.00 30.44 H new ATOM 0 HG13 ILE A 29 -2.401 3.448 -5.021 1.00 30.44 H new ATOM 0 HG21 ILE A 29 -4.752 6.328 -5.383 1.00 13.33 H new ATOM 0 HG22 ILE A 29 -6.194 5.457 -4.809 1.00 13.33 H new ATOM 0 HG23 ILE A 29 -4.913 5.910 -3.660 1.00 13.33 H new ATOM 0 HD11 ILE A 29 -1.222 5.499 -5.614 1.00 33.12 H new ATOM 0 HD12 ILE A 29 -2.518 5.162 -6.786 1.00 33.12 H new ATOM 0 HD13 ILE A 29 -2.747 6.413 -5.541 1.00 33.12 H new ATOM 445 N THR A 30 -7.073 3.377 -2.960 1.00 32.55 N ATOM 446 CA THR A 30 -8.479 3.142 -2.834 1.00 53.45 C ATOM 447 C THR A 30 -9.249 4.427 -2.849 1.00 74.43 C ATOM 448 O THR A 30 -8.737 5.472 -2.429 1.00 54.23 O ATOM 449 CB THR A 30 -8.801 2.309 -1.568 1.00 62.44 C ATOM 450 OG1 THR A 30 -8.197 2.911 -0.397 1.00 54.14 O ATOM 451 CG2 THR A 30 -8.300 0.877 -1.724 1.00 71.32 C ATOM 0 H THR A 30 -6.650 3.861 -2.168 1.00 32.55 H new ATOM 0 HA THR A 30 -8.793 2.559 -3.700 1.00 53.45 H new ATOM 0 HB THR A 30 -9.884 2.293 -1.442 1.00 62.44 H new ATOM 0 HG1 THR A 30 -7.300 3.235 -0.622 1.00 54.14 H new ATOM 0 HG21 THR A 30 -8.536 0.309 -0.824 1.00 71.32 H new ATOM 0 HG22 THR A 30 -8.785 0.414 -2.583 1.00 71.32 H new ATOM 0 HG23 THR A 30 -7.221 0.884 -1.876 1.00 71.32 H new ATOM 459 N GLU A 31 -10.457 4.368 -3.338 1.00 73.11 N ATOM 460 CA GLU A 31 -11.275 5.530 -3.465 1.00 23.33 C ATOM 461 C GLU A 31 -12.678 5.232 -2.969 1.00 21.34 C ATOM 462 O GLU A 31 -13.223 4.157 -3.233 1.00 52.33 O ATOM 463 CB GLU A 31 -11.283 5.977 -4.927 1.00 40.52 C ATOM 464 CG GLU A 31 -12.087 7.225 -5.213 1.00 65.34 C ATOM 465 CD GLU A 31 -11.976 7.636 -6.652 1.00 63.03 C ATOM 466 OE1 GLU A 31 -12.788 7.181 -7.486 1.00 73.21 O ATOM 467 OE2 GLU A 31 -11.079 8.411 -6.975 1.00 61.33 O ATOM 0 H GLU A 31 -10.898 3.506 -3.659 1.00 73.11 H new ATOM 0 HA GLU A 31 -10.873 6.340 -2.856 1.00 23.33 H new ATOM 0 HB2 GLU A 31 -10.254 6.146 -5.244 1.00 40.52 H new ATOM 0 HB3 GLU A 31 -11.675 5.163 -5.537 1.00 40.52 H new ATOM 0 HG2 GLU A 31 -13.134 7.049 -4.964 1.00 65.34 H new ATOM 0 HG3 GLU A 31 -11.739 8.037 -4.574 1.00 65.34 H new ATOM 474 N GLY A 32 -13.231 6.157 -2.238 1.00 12.14 N ATOM 475 CA GLY A 32 -14.557 6.021 -1.706 1.00 43.14 C ATOM 476 C GLY A 32 -14.879 7.198 -0.845 1.00 44.14 C ATOM 477 O GLY A 32 -15.440 8.185 -1.313 1.00 11.55 O ATOM 0 H GLY A 32 -12.771 7.034 -1.992 1.00 12.14 H new ATOM 0 HA2 GLY A 32 -15.279 5.945 -2.519 1.00 43.14 H new ATOM 0 HA3 GLY A 32 -14.633 5.102 -1.125 1.00 43.14 H new ATOM 481 N SER A 33 -14.508 7.121 0.402 1.00 60.01 N ATOM 482 CA SER A 33 -14.688 8.222 1.307 1.00 30.14 C ATOM 483 C SER A 33 -13.508 9.183 1.176 1.00 34.30 C ATOM 484 O SER A 33 -13.679 10.403 1.137 1.00 71.33 O ATOM 485 CB SER A 33 -14.814 7.693 2.726 1.00 43.45 C ATOM 486 OG SER A 33 -13.708 6.848 3.047 1.00 55.43 O ATOM 0 H SER A 33 -14.074 6.297 0.819 1.00 60.01 H new ATOM 0 HA SER A 33 -15.601 8.766 1.063 1.00 30.14 H new ATOM 0 HB2 SER A 33 -14.858 8.526 3.428 1.00 43.45 H new ATOM 0 HB3 SER A 33 -15.746 7.137 2.831 1.00 43.45 H new ATOM 0 HG SER A 33 -13.804 6.518 3.965 1.00 55.43 H new ATOM 492 N LEU A 34 -12.325 8.602 1.086 1.00 34.35 N ATOM 493 CA LEU A 34 -11.071 9.311 0.919 1.00 54.24 C ATOM 494 C LEU A 34 -10.198 8.460 0.038 1.00 43.51 C ATOM 495 O LEU A 34 -10.435 7.249 -0.071 1.00 21.34 O ATOM 496 CB LEU A 34 -10.344 9.490 2.277 1.00 72.22 C ATOM 497 CG LEU A 34 -11.025 10.326 3.351 1.00 12.15 C ATOM 498 CD1 LEU A 34 -10.190 10.315 4.632 1.00 52.35 C ATOM 499 CD2 LEU A 34 -11.235 11.758 2.872 1.00 30.30 C ATOM 0 H LEU A 34 -12.208 7.590 1.129 1.00 34.35 H new ATOM 0 HA LEU A 34 -11.264 10.296 0.494 1.00 54.24 H new ATOM 0 HB2 LEU A 34 -10.163 8.498 2.691 1.00 72.22 H new ATOM 0 HB3 LEU A 34 -9.369 9.934 2.077 1.00 72.22 H new ATOM 0 HG LEU A 34 -12.002 9.889 3.559 1.00 12.15 H new ATOM 0 HD11 LEU A 34 -10.686 10.916 5.394 1.00 52.35 H new ATOM 0 HD12 LEU A 34 -10.085 9.291 4.989 1.00 52.35 H new ATOM 0 HD13 LEU A 34 -9.203 10.731 4.427 1.00 52.35 H new ATOM 0 HD21 LEU A 34 -11.723 12.336 3.657 1.00 30.30 H new ATOM 0 HD22 LEU A 34 -10.271 12.208 2.636 1.00 30.30 H new ATOM 0 HD23 LEU A 34 -11.862 11.755 1.980 1.00 30.30 H new ATOM 511 N ARG A 35 -9.227 9.054 -0.603 1.00 71.22 N ATOM 512 CA ARG A 35 -8.272 8.287 -1.368 1.00 40.22 C ATOM 513 C ARG A 35 -7.091 7.962 -0.493 1.00 11.12 C ATOM 514 O ARG A 35 -6.312 8.846 -0.129 1.00 12.23 O ATOM 515 CB ARG A 35 -7.824 9.030 -2.622 1.00 55.42 C ATOM 516 CG ARG A 35 -8.928 9.238 -3.631 1.00 50.51 C ATOM 517 CD ARG A 35 -8.441 10.053 -4.808 1.00 52.42 C ATOM 518 NE ARG A 35 -9.497 10.280 -5.796 1.00 10.52 N ATOM 519 CZ ARG A 35 -9.499 11.261 -6.694 1.00 72.30 C ATOM 520 NH1 ARG A 35 -8.469 12.090 -6.775 1.00 54.54 N ATOM 521 NH2 ARG A 35 -10.527 11.394 -7.521 1.00 63.41 N ATOM 0 H ARG A 35 -9.074 10.062 -0.613 1.00 71.22 H new ATOM 0 HA ARG A 35 -8.751 7.366 -1.699 1.00 40.22 H new ATOM 0 HB2 ARG A 35 -7.420 10.000 -2.334 1.00 55.42 H new ATOM 0 HB3 ARG A 35 -7.013 8.474 -3.093 1.00 55.42 H new ATOM 0 HG2 ARG A 35 -9.294 8.272 -3.980 1.00 50.51 H new ATOM 0 HG3 ARG A 35 -9.768 9.744 -3.156 1.00 50.51 H new ATOM 0 HD2 ARG A 35 -8.065 11.013 -4.453 1.00 52.42 H new ATOM 0 HD3 ARG A 35 -7.605 9.539 -5.283 1.00 52.42 H new ATOM 0 HE ARG A 35 -10.290 9.638 -5.796 1.00 10.52 H new ATOM 0 HH11 ARG A 35 -7.673 11.977 -6.148 1.00 54.54 H new ATOM 0 HH12 ARG A 35 -8.472 12.842 -7.464 1.00 54.54 H new ATOM 0 HH21 ARG A 35 -11.312 10.745 -7.467 1.00 63.41 H new ATOM 0 HH22 ARG A 35 -10.532 12.145 -8.211 1.00 63.41 H new ATOM 535 N ALA A 36 -6.971 6.716 -0.145 1.00 20.13 N ATOM 536 CA ALA A 36 -5.915 6.275 0.722 1.00 54.42 C ATOM 537 C ALA A 36 -5.127 5.189 0.058 1.00 10.25 C ATOM 538 O ALA A 36 -5.694 4.367 -0.686 1.00 30.31 O ATOM 539 CB ALA A 36 -6.486 5.777 2.040 1.00 62.13 C ATOM 0 H ALA A 36 -7.601 5.975 -0.453 1.00 20.13 H new ATOM 0 HA ALA A 36 -5.254 7.118 0.926 1.00 54.42 H new ATOM 0 HB1 ALA A 36 -5.673 5.446 2.687 1.00 62.13 H new ATOM 0 HB2 ALA A 36 -7.032 6.584 2.528 1.00 62.13 H new ATOM 0 HB3 ALA A 36 -7.162 4.943 1.852 1.00 62.13 H new ATOM 545 N VAL A 37 -3.842 5.180 0.290 1.00 50.44 N ATOM 546 CA VAL A 37 -3.005 4.165 -0.256 1.00 43.41 C ATOM 547 C VAL A 37 -2.898 3.063 0.778 1.00 42.24 C ATOM 548 O VAL A 37 -2.374 3.284 1.869 1.00 11.51 O ATOM 549 CB VAL A 37 -1.579 4.691 -0.545 1.00 70.40 C ATOM 550 CG1 VAL A 37 -0.771 3.660 -1.301 1.00 34.53 C ATOM 551 CG2 VAL A 37 -1.603 6.017 -1.291 1.00 44.51 C ATOM 0 H VAL A 37 -3.356 5.873 0.859 1.00 50.44 H new ATOM 0 HA VAL A 37 -3.437 3.818 -1.195 1.00 43.41 H new ATOM 0 HB VAL A 37 -1.097 4.871 0.416 1.00 70.40 H new ATOM 0 HG11 VAL A 37 0.228 4.051 -1.494 1.00 34.53 H new ATOM 0 HG12 VAL A 37 -0.696 2.749 -0.707 1.00 34.53 H new ATOM 0 HG13 VAL A 37 -1.262 3.436 -2.248 1.00 34.53 H new ATOM 0 HG21 VAL A 37 -0.581 6.350 -1.474 1.00 44.51 H new ATOM 0 HG22 VAL A 37 -2.119 5.890 -2.243 1.00 44.51 H new ATOM 0 HG23 VAL A 37 -2.126 6.762 -0.692 1.00 44.51 H new ATOM 561 N ILE A 38 -3.415 1.922 0.467 1.00 3.11 N ATOM 562 CA ILE A 38 -3.345 0.815 1.364 1.00 60.33 C ATOM 563 C ILE A 38 -2.146 -0.026 1.005 1.00 74.01 C ATOM 564 O ILE A 38 -2.092 -0.636 -0.072 1.00 12.11 O ATOM 565 CB ILE A 38 -4.637 -0.065 1.344 1.00 43.44 C ATOM 566 CG1 ILE A 38 -5.874 0.764 1.700 1.00 43.53 C ATOM 567 CG2 ILE A 38 -4.506 -1.256 2.298 1.00 40.10 C ATOM 568 CD1 ILE A 38 -7.156 -0.046 1.760 1.00 74.05 C ATOM 0 H ILE A 38 -3.896 1.729 -0.412 1.00 3.11 H new ATOM 0 HA ILE A 38 -3.253 1.211 2.375 1.00 60.33 H new ATOM 0 HB ILE A 38 -4.758 -0.447 0.330 1.00 43.44 H new ATOM 0 HG12 ILE A 38 -5.713 1.244 2.665 1.00 43.53 H new ATOM 0 HG13 ILE A 38 -5.991 1.559 0.964 1.00 43.53 H new ATOM 0 HG21 ILE A 38 -5.419 -1.851 2.264 1.00 40.10 H new ATOM 0 HG22 ILE A 38 -3.659 -1.873 1.996 1.00 40.10 H new ATOM 0 HG23 ILE A 38 -4.347 -0.893 3.313 1.00 40.10 H new ATOM 0 HD11 ILE A 38 -7.988 0.609 2.018 1.00 74.05 H new ATOM 0 HD12 ILE A 38 -7.342 -0.505 0.789 1.00 74.05 H new ATOM 0 HD13 ILE A 38 -7.059 -0.825 2.517 1.00 74.05 H new ATOM 580 N PHE A 39 -1.186 -0.024 1.867 1.00 24.22 N ATOM 581 CA PHE A 39 -0.021 -0.814 1.696 1.00 71.30 C ATOM 582 C PHE A 39 -0.186 -2.093 2.389 1.00 11.12 C ATOM 583 O PHE A 39 -0.589 -2.139 3.558 1.00 12.50 O ATOM 584 CB PHE A 39 1.233 -0.123 2.194 1.00 42.52 C ATOM 585 CG PHE A 39 1.667 0.999 1.340 1.00 20.54 C ATOM 586 CD1 PHE A 39 2.313 0.742 0.152 1.00 60.31 C ATOM 587 CD2 PHE A 39 1.452 2.299 1.711 1.00 2.21 C ATOM 588 CE1 PHE A 39 2.736 1.758 -0.657 1.00 30.11 C ATOM 589 CE2 PHE A 39 1.871 3.322 0.906 1.00 40.22 C ATOM 590 CZ PHE A 39 2.519 3.043 -0.289 1.00 40.15 C ATOM 0 H PHE A 39 -1.192 0.535 2.720 1.00 24.22 H new ATOM 0 HA PHE A 39 0.103 -0.976 0.625 1.00 71.30 H new ATOM 0 HB2 PHE A 39 1.057 0.247 3.204 1.00 42.52 H new ATOM 0 HB3 PHE A 39 2.040 -0.853 2.258 1.00 42.52 H new ATOM 0 HD1 PHE A 39 2.489 -0.281 -0.146 1.00 60.31 H new ATOM 0 HD2 PHE A 39 0.950 2.517 2.642 1.00 2.21 H new ATOM 0 HE1 PHE A 39 3.241 1.538 -1.586 1.00 30.11 H new ATOM 0 HE2 PHE A 39 1.698 4.347 1.200 1.00 40.22 H new ATOM 0 HZ PHE A 39 2.850 3.850 -0.925 1.00 40.15 H new ATOM 600 N ILE A 40 0.087 -3.128 1.697 1.00 3.30 N ATOM 601 CA ILE A 40 -0.006 -4.398 2.273 1.00 34.54 C ATOM 602 C ILE A 40 1.402 -4.849 2.538 1.00 4.51 C ATOM 603 O ILE A 40 2.276 -4.726 1.654 1.00 44.01 O ATOM 604 CB ILE A 40 -0.701 -5.425 1.347 1.00 52.04 C ATOM 605 CG1 ILE A 40 -1.966 -4.830 0.695 1.00 63.53 C ATOM 606 CG2 ILE A 40 -1.098 -6.626 2.181 1.00 23.52 C ATOM 607 CD1 ILE A 40 -3.049 -4.413 1.677 1.00 43.33 C ATOM 0 H ILE A 40 0.380 -3.115 0.720 1.00 3.30 H new ATOM 0 HA ILE A 40 -0.609 -4.338 3.179 1.00 34.54 H new ATOM 0 HB ILE A 40 -0.009 -5.706 0.553 1.00 52.04 H new ATOM 0 HG12 ILE A 40 -1.679 -3.962 0.101 1.00 63.53 H new ATOM 0 HG13 ILE A 40 -2.383 -5.564 0.005 1.00 63.53 H new ATOM 0 HG21 ILE A 40 -1.590 -7.363 1.546 1.00 23.52 H new ATOM 0 HG22 ILE A 40 -0.208 -7.069 2.628 1.00 23.52 H new ATOM 0 HG23 ILE A 40 -1.782 -6.311 2.969 1.00 23.52 H new ATOM 0 HD11 ILE A 40 -3.899 -4.006 1.130 1.00 43.33 H new ATOM 0 HD12 ILE A 40 -3.370 -5.280 2.254 1.00 43.33 H new ATOM 0 HD13 ILE A 40 -2.655 -3.653 2.352 1.00 43.33 H new ATOM 619 N THR A 41 1.649 -5.313 3.725 1.00 61.35 N ATOM 620 CA THR A 41 2.956 -5.777 4.083 1.00 33.25 C ATOM 621 C THR A 41 3.162 -7.182 3.531 1.00 73.03 C ATOM 622 O THR A 41 2.212 -7.810 3.044 1.00 72.45 O ATOM 623 CB THR A 41 3.131 -5.790 5.614 1.00 74.35 C ATOM 624 OG1 THR A 41 2.129 -6.634 6.220 1.00 15.31 O ATOM 625 CG2 THR A 41 3.002 -4.388 6.177 1.00 20.54 C ATOM 0 H THR A 41 0.955 -5.381 4.470 1.00 61.35 H new ATOM 0 HA THR A 41 3.697 -5.100 3.658 1.00 33.25 H new ATOM 0 HB THR A 41 4.125 -6.178 5.839 1.00 74.35 H new ATOM 0 HG1 THR A 41 2.342 -6.766 7.167 1.00 15.31 H new ATOM 0 HG21 THR A 41 3.128 -4.417 7.259 1.00 20.54 H new ATOM 0 HG22 THR A 41 3.768 -3.748 5.739 1.00 20.54 H new ATOM 0 HG23 THR A 41 2.016 -3.989 5.938 1.00 20.54 H new ATOM 633 N LYS A 42 4.371 -7.685 3.624 1.00 11.53 N ATOM 634 CA LYS A 42 4.688 -9.019 3.134 1.00 32.52 C ATOM 635 C LYS A 42 4.068 -10.120 4.008 1.00 52.45 C ATOM 636 O LYS A 42 4.114 -11.305 3.671 1.00 64.32 O ATOM 637 CB LYS A 42 6.198 -9.192 2.909 1.00 55.22 C ATOM 638 CG LYS A 42 6.730 -8.238 1.840 1.00 75.14 C ATOM 639 CD LYS A 42 8.218 -8.399 1.580 1.00 33.43 C ATOM 640 CE LYS A 42 8.664 -7.447 0.471 1.00 70.30 C ATOM 641 NZ LYS A 42 10.113 -7.543 0.170 1.00 44.25 N ATOM 0 H LYS A 42 5.162 -7.191 4.037 1.00 11.53 H new ATOM 0 HA LYS A 42 4.222 -9.131 2.155 1.00 32.52 H new ATOM 0 HB2 LYS A 42 6.727 -9.018 3.846 1.00 55.22 H new ATOM 0 HB3 LYS A 42 6.405 -10.220 2.613 1.00 55.22 H new ATOM 0 HG2 LYS A 42 6.185 -8.404 0.911 1.00 75.14 H new ATOM 0 HG3 LYS A 42 6.531 -7.211 2.147 1.00 75.14 H new ATOM 0 HD2 LYS A 42 8.779 -8.195 2.492 1.00 33.43 H new ATOM 0 HD3 LYS A 42 8.436 -9.428 1.296 1.00 33.43 H new ATOM 0 HE2 LYS A 42 8.096 -7.662 -0.434 1.00 70.30 H new ATOM 0 HE3 LYS A 42 8.426 -6.424 0.761 1.00 70.30 H new ATOM 0 HZ1 LYS A 42 10.268 -7.380 -0.845 1.00 44.25 H new ATOM 0 HZ2 LYS A 42 10.630 -6.826 0.719 1.00 44.25 H new ATOM 0 HZ3 LYS A 42 10.459 -8.490 0.425 1.00 44.25 H new ATOM 655 N ARG A 43 3.510 -9.724 5.148 1.00 64.34 N ATOM 656 CA ARG A 43 2.763 -10.642 5.998 1.00 43.23 C ATOM 657 C ARG A 43 1.284 -10.676 5.563 1.00 71.30 C ATOM 658 O ARG A 43 0.528 -11.572 5.945 1.00 22.14 O ATOM 659 CB ARG A 43 2.910 -10.269 7.492 1.00 43.15 C ATOM 660 CG ARG A 43 2.090 -11.130 8.464 1.00 1.43 C ATOM 661 CD ARG A 43 2.407 -10.816 9.923 1.00 0.32 C ATOM 662 NE ARG A 43 3.799 -11.161 10.255 1.00 54.05 N ATOM 663 CZ ARG A 43 4.419 -10.902 11.415 1.00 71.34 C ATOM 664 NH1 ARG A 43 3.777 -10.299 12.410 1.00 25.10 N ATOM 665 NH2 ARG A 43 5.681 -11.268 11.580 1.00 40.43 N ATOM 0 H ARG A 43 3.562 -8.770 5.504 1.00 64.34 H new ATOM 0 HA ARG A 43 3.177 -11.643 5.880 1.00 43.23 H new ATOM 0 HB2 ARG A 43 3.962 -10.342 7.766 1.00 43.15 H new ATOM 0 HB3 ARG A 43 2.618 -9.227 7.620 1.00 43.15 H new ATOM 0 HG2 ARG A 43 1.028 -10.968 8.282 1.00 1.43 H new ATOM 0 HG3 ARG A 43 2.289 -12.184 8.270 1.00 1.43 H new ATOM 0 HD2 ARG A 43 2.237 -9.756 10.114 1.00 0.32 H new ATOM 0 HD3 ARG A 43 1.728 -11.370 10.572 1.00 0.32 H new ATOM 0 HE ARG A 43 4.341 -11.641 9.537 1.00 54.05 H new ATOM 0 HH11 ARG A 43 2.800 -10.027 12.296 1.00 25.10 H new ATOM 0 HH12 ARG A 43 4.261 -10.108 13.287 1.00 25.10 H new ATOM 0 HH21 ARG A 43 6.177 -11.744 10.826 1.00 40.43 H new ATOM 0 HH22 ARG A 43 6.157 -11.073 12.461 1.00 40.43 H new ATOM 679 N GLY A 44 0.890 -9.720 4.745 1.00 71.20 N ATOM 680 CA GLY A 44 -0.482 -9.675 4.288 1.00 42.20 C ATOM 681 C GLY A 44 -1.341 -8.750 5.119 1.00 43.53 C ATOM 682 O GLY A 44 -2.565 -8.871 5.137 1.00 73.41 O ATOM 0 H GLY A 44 1.490 -8.976 4.389 1.00 71.20 H new ATOM 0 HA2 GLY A 44 -0.504 -9.349 3.248 1.00 42.20 H new ATOM 0 HA3 GLY A 44 -0.904 -10.680 4.316 1.00 42.20 H new ATOM 686 N LEU A 45 -0.708 -7.839 5.826 1.00 41.21 N ATOM 687 CA LEU A 45 -1.440 -6.921 6.673 1.00 11.55 C ATOM 688 C LEU A 45 -1.792 -5.685 5.929 1.00 12.35 C ATOM 689 O LEU A 45 -1.029 -5.195 5.102 1.00 10.05 O ATOM 690 CB LEU A 45 -0.655 -6.560 7.904 1.00 65.22 C ATOM 691 CG LEU A 45 -0.252 -7.713 8.783 1.00 23.35 C ATOM 692 CD1 LEU A 45 0.516 -7.202 9.959 1.00 53.44 C ATOM 693 CD2 LEU A 45 -1.464 -8.499 9.242 1.00 31.13 C ATOM 0 H LEU A 45 0.304 -7.714 5.832 1.00 41.21 H new ATOM 0 HA LEU A 45 -2.354 -7.428 6.982 1.00 11.55 H new ATOM 0 HB2 LEU A 45 0.246 -6.030 7.595 1.00 65.22 H new ATOM 0 HB3 LEU A 45 -1.246 -5.863 8.498 1.00 65.22 H new ATOM 0 HG LEU A 45 0.381 -8.387 8.205 1.00 23.35 H new ATOM 0 HD11 LEU A 45 0.807 -8.038 10.595 1.00 53.44 H new ATOM 0 HD12 LEU A 45 1.409 -6.682 9.612 1.00 53.44 H new ATOM 0 HD13 LEU A 45 -0.107 -6.513 10.529 1.00 53.44 H new ATOM 0 HD21 LEU A 45 -1.143 -9.326 9.875 1.00 31.13 H new ATOM 0 HD22 LEU A 45 -2.129 -7.846 9.807 1.00 31.13 H new ATOM 0 HD23 LEU A 45 -1.993 -8.891 8.374 1.00 31.13 H new ATOM 705 N LYS A 46 -2.919 -5.187 6.255 1.00 75.11 N ATOM 706 CA LYS A 46 -3.485 -4.038 5.615 1.00 22.40 C ATOM 707 C LYS A 46 -3.206 -2.790 6.399 1.00 12.14 C ATOM 708 O LYS A 46 -3.598 -2.668 7.574 1.00 13.05 O ATOM 709 CB LYS A 46 -4.964 -4.252 5.488 1.00 21.13 C ATOM 710 CG LYS A 46 -5.330 -5.334 4.518 1.00 32.31 C ATOM 711 CD LYS A 46 -6.723 -5.796 4.765 1.00 1.21 C ATOM 712 CE LYS A 46 -7.219 -6.665 3.642 1.00 22.43 C ATOM 713 NZ LYS A 46 -8.550 -7.244 3.944 1.00 33.23 N ATOM 0 H LYS A 46 -3.503 -5.570 6.998 1.00 75.11 H new ATOM 0 HA LYS A 46 -3.035 -3.912 4.630 1.00 22.40 H new ATOM 0 HB2 LYS A 46 -5.373 -4.500 6.468 1.00 21.13 H new ATOM 0 HB3 LYS A 46 -5.432 -3.319 5.174 1.00 21.13 H new ATOM 0 HG2 LYS A 46 -5.238 -4.964 3.497 1.00 32.31 H new ATOM 0 HG3 LYS A 46 -4.639 -6.171 4.617 1.00 32.31 H new ATOM 0 HD2 LYS A 46 -6.763 -6.351 5.702 1.00 1.21 H new ATOM 0 HD3 LYS A 46 -7.380 -4.933 4.877 1.00 1.21 H new ATOM 0 HE2 LYS A 46 -7.277 -6.078 2.726 1.00 22.43 H new ATOM 0 HE3 LYS A 46 -6.505 -7.469 3.461 1.00 22.43 H new ATOM 0 HZ1 LYS A 46 -8.719 -8.065 3.329 1.00 33.23 H new ATOM 0 HZ2 LYS A 46 -8.580 -7.545 4.939 1.00 33.23 H new ATOM 0 HZ3 LYS A 46 -9.286 -6.529 3.776 1.00 33.23 H new ATOM 727 N VAL A 47 -2.512 -1.892 5.778 1.00 21.30 N ATOM 728 CA VAL A 47 -2.193 -0.605 6.374 1.00 50.14 C ATOM 729 C VAL A 47 -2.613 0.509 5.413 1.00 62.12 C ATOM 730 O VAL A 47 -2.552 0.329 4.225 1.00 11.43 O ATOM 731 CB VAL A 47 -0.661 -0.490 6.694 1.00 61.14 C ATOM 732 CG1 VAL A 47 -0.317 0.832 7.376 1.00 53.43 C ATOM 733 CG2 VAL A 47 -0.196 -1.666 7.549 1.00 11.04 C ATOM 0 H VAL A 47 -2.141 -2.017 4.836 1.00 21.30 H new ATOM 0 HA VAL A 47 -2.737 -0.510 7.314 1.00 50.14 H new ATOM 0 HB VAL A 47 -0.132 -0.516 5.742 1.00 61.14 H new ATOM 0 HG11 VAL A 47 0.753 0.869 7.579 1.00 53.43 H new ATOM 0 HG12 VAL A 47 -0.591 1.660 6.723 1.00 53.43 H new ATOM 0 HG13 VAL A 47 -0.867 0.912 8.314 1.00 53.43 H new ATOM 0 HG21 VAL A 47 0.869 -1.565 7.758 1.00 11.04 H new ATOM 0 HG22 VAL A 47 -0.751 -1.676 8.487 1.00 11.04 H new ATOM 0 HG23 VAL A 47 -0.374 -2.598 7.013 1.00 11.04 H new ATOM 743 N CYS A 48 -3.007 1.648 5.925 1.00 60.53 N ATOM 744 CA CYS A 48 -3.414 2.757 5.074 1.00 34.14 C ATOM 745 C CYS A 48 -2.528 3.935 5.338 1.00 61.15 C ATOM 746 O CYS A 48 -2.246 4.267 6.477 1.00 52.34 O ATOM 747 CB CYS A 48 -4.866 3.165 5.326 1.00 73.50 C ATOM 748 SG CYS A 48 -6.114 1.935 4.874 1.00 0.35 S ATOM 0 H CYS A 48 -3.057 1.839 6.926 1.00 60.53 H new ATOM 0 HA CYS A 48 -3.326 2.430 4.038 1.00 34.14 H new ATOM 0 HB2 CYS A 48 -4.980 3.400 6.384 1.00 73.50 H new ATOM 0 HB3 CYS A 48 -5.068 4.082 4.772 1.00 73.50 H new ATOM 753 N ALA A 49 -2.084 4.544 4.288 1.00 51.45 N ATOM 754 CA ALA A 49 -1.138 5.613 4.343 1.00 4.05 C ATOM 755 C ALA A 49 -1.548 6.742 3.430 1.00 55.21 C ATOM 756 O ALA A 49 -2.265 6.525 2.430 1.00 40.33 O ATOM 757 CB ALA A 49 0.215 5.080 3.977 1.00 32.43 C ATOM 0 H ALA A 49 -2.377 4.306 3.340 1.00 51.45 H new ATOM 0 HA ALA A 49 -1.102 6.018 5.354 1.00 4.05 H new ATOM 0 HB1 ALA A 49 0.947 5.887 4.015 1.00 32.43 H new ATOM 0 HB2 ALA A 49 0.500 4.298 4.680 1.00 32.43 H new ATOM 0 HB3 ALA A 49 0.183 4.667 2.969 1.00 32.43 H new ATOM 763 N ASP A 50 -1.127 7.936 3.784 1.00 23.04 N ATOM 764 CA ASP A 50 -1.459 9.126 3.039 1.00 52.52 C ATOM 765 C ASP A 50 -0.672 9.208 1.758 1.00 72.31 C ATOM 766 O ASP A 50 0.547 9.154 1.779 1.00 25.10 O ATOM 767 CB ASP A 50 -1.166 10.388 3.858 1.00 64.45 C ATOM 768 CG ASP A 50 -2.192 10.726 4.904 1.00 61.21 C ATOM 769 OD1 ASP A 50 -3.249 11.275 4.542 1.00 73.13 O ATOM 770 OD2 ASP A 50 -1.952 10.482 6.101 1.00 50.05 O ATOM 0 H ASP A 50 -0.542 8.108 4.602 1.00 23.04 H new ATOM 0 HA ASP A 50 -2.524 9.066 2.813 1.00 52.52 H new ATOM 0 HB2 ASP A 50 -0.199 10.268 4.346 1.00 64.45 H new ATOM 0 HB3 ASP A 50 -1.076 11.232 3.175 1.00 64.45 H new ATOM 775 N PRO A 51 -1.359 9.376 0.613 1.00 32.45 N ATOM 776 CA PRO A 51 -0.711 9.494 -0.706 1.00 12.30 C ATOM 777 C PRO A 51 0.217 10.713 -0.799 1.00 64.01 C ATOM 778 O PRO A 51 1.051 10.812 -1.705 1.00 52.50 O ATOM 779 CB PRO A 51 -1.894 9.650 -1.678 1.00 54.02 C ATOM 780 CG PRO A 51 -3.029 10.102 -0.832 1.00 31.50 C ATOM 781 CD PRO A 51 -2.833 9.444 0.495 1.00 70.31 C ATOM 0 HA PRO A 51 -0.075 8.635 -0.919 1.00 12.30 H new ATOM 0 HB2 PRO A 51 -1.670 10.377 -2.459 1.00 54.02 H new ATOM 0 HB3 PRO A 51 -2.123 8.708 -2.175 1.00 54.02 H new ATOM 0 HG2 PRO A 51 -3.035 11.188 -0.733 1.00 31.50 H new ATOM 0 HG3 PRO A 51 -3.984 9.816 -1.273 1.00 31.50 H new ATOM 0 HD2 PRO A 51 -3.277 10.024 1.304 1.00 70.31 H new ATOM 0 HD3 PRO A 51 -3.287 8.454 0.526 1.00 70.31 H new ATOM 789 N GLN A 52 0.080 11.626 0.146 1.00 4.22 N ATOM 790 CA GLN A 52 0.886 12.816 0.162 1.00 63.14 C ATOM 791 C GLN A 52 2.108 12.638 1.058 1.00 52.03 C ATOM 792 O GLN A 52 2.948 13.526 1.142 1.00 0.11 O ATOM 793 CB GLN A 52 0.077 14.028 0.611 1.00 72.21 C ATOM 794 CG GLN A 52 -0.430 13.957 2.036 1.00 51.03 C ATOM 795 CD GLN A 52 -1.211 15.185 2.411 1.00 41.02 C ATOM 796 OE1 GLN A 52 -0.650 16.163 2.903 1.00 74.14 O ATOM 797 NE2 GLN A 52 -2.490 15.152 2.188 1.00 4.15 N ATOM 0 H GLN A 52 -0.588 11.558 0.913 1.00 4.22 H new ATOM 0 HA GLN A 52 1.226 12.992 -0.859 1.00 63.14 H new ATOM 0 HB2 GLN A 52 0.694 14.920 0.503 1.00 72.21 H new ATOM 0 HB3 GLN A 52 -0.775 14.147 -0.058 1.00 72.21 H new ATOM 0 HG2 GLN A 52 -1.060 13.075 2.154 1.00 51.03 H new ATOM 0 HG3 GLN A 52 0.413 13.840 2.717 1.00 51.03 H new ATOM 0 HE21 GLN A 52 -2.915 14.320 1.778 1.00 4.15 H new ATOM 0 HE22 GLN A 52 -3.070 15.958 2.423 1.00 4.15 H new ATOM 806 N ALA A 53 2.208 11.498 1.715 1.00 13.41 N ATOM 807 CA ALA A 53 3.344 11.227 2.577 1.00 72.44 C ATOM 808 C ALA A 53 4.547 10.888 1.740 1.00 24.21 C ATOM 809 O ALA A 53 4.448 10.090 0.813 1.00 43.55 O ATOM 810 CB ALA A 53 3.031 10.124 3.567 1.00 35.50 C ATOM 0 H ALA A 53 1.519 10.747 1.669 1.00 13.41 H new ATOM 0 HA ALA A 53 3.565 12.123 3.157 1.00 72.44 H new ATOM 0 HB1 ALA A 53 3.901 9.944 4.198 1.00 35.50 H new ATOM 0 HB2 ALA A 53 2.187 10.422 4.189 1.00 35.50 H new ATOM 0 HB3 ALA A 53 2.780 9.211 3.027 1.00 35.50 H new ATOM 816 N THR A 54 5.674 11.499 2.063 1.00 23.32 N ATOM 817 CA THR A 54 6.910 11.337 1.317 1.00 2.15 C ATOM 818 C THR A 54 7.304 9.860 1.197 1.00 15.22 C ATOM 819 O THR A 54 7.768 9.417 0.139 1.00 64.13 O ATOM 820 CB THR A 54 8.047 12.128 1.998 1.00 53.45 C ATOM 821 OG1 THR A 54 7.638 13.493 2.157 1.00 4.42 O ATOM 822 CG2 THR A 54 9.327 12.082 1.166 1.00 43.11 C ATOM 0 H THR A 54 5.757 12.129 2.861 1.00 23.32 H new ATOM 0 HA THR A 54 6.746 11.726 0.312 1.00 2.15 H new ATOM 0 HB THR A 54 8.251 11.674 2.968 1.00 53.45 H new ATOM 0 HG1 THR A 54 8.355 14.001 2.591 1.00 4.42 H new ATOM 0 HG21 THR A 54 10.110 12.648 1.671 1.00 43.11 H new ATOM 0 HG22 THR A 54 9.647 11.047 1.047 1.00 43.11 H new ATOM 0 HG23 THR A 54 9.139 12.519 0.185 1.00 43.11 H new ATOM 830 N TRP A 55 7.058 9.090 2.252 1.00 62.12 N ATOM 831 CA TRP A 55 7.448 7.676 2.233 1.00 72.41 C ATOM 832 C TRP A 55 6.528 6.883 1.327 1.00 13.01 C ATOM 833 O TRP A 55 6.929 5.901 0.700 1.00 74.34 O ATOM 834 CB TRP A 55 7.505 7.067 3.647 1.00 65.22 C ATOM 835 CG TRP A 55 6.193 6.928 4.376 1.00 32.34 C ATOM 836 CD1 TRP A 55 5.518 7.895 5.021 1.00 20.21 C ATOM 837 CD2 TRP A 55 5.434 5.732 4.564 1.00 45.11 C ATOM 838 NE1 TRP A 55 4.386 7.397 5.597 1.00 44.43 N ATOM 839 CE2 TRP A 55 4.308 6.073 5.331 1.00 71.05 C ATOM 840 CE3 TRP A 55 5.593 4.413 4.155 1.00 45.33 C ATOM 841 CZ2 TRP A 55 3.353 5.154 5.702 1.00 10.02 C ATOM 842 CZ3 TRP A 55 4.634 3.487 4.517 1.00 33.40 C ATOM 843 CH2 TRP A 55 3.527 3.862 5.290 1.00 52.42 C ATOM 0 H TRP A 55 6.604 9.404 3.110 1.00 62.12 H new ATOM 0 HA TRP A 55 8.459 7.621 1.830 1.00 72.41 H new ATOM 0 HB2 TRP A 55 7.961 6.079 3.574 1.00 65.22 H new ATOM 0 HB3 TRP A 55 8.169 7.680 4.256 1.00 65.22 H new ATOM 0 HD1 TRP A 55 5.830 8.928 5.076 1.00 20.21 H new ATOM 0 HE1 TRP A 55 3.710 7.935 6.139 1.00 44.43 H new ATOM 0 HE3 TRP A 55 6.449 4.118 3.566 1.00 45.33 H new ATOM 0 HZ2 TRP A 55 2.498 5.443 6.296 1.00 10.02 H new ATOM 0 HZ3 TRP A 55 4.739 2.460 4.200 1.00 33.40 H new ATOM 0 HH2 TRP A 55 2.797 3.116 5.566 1.00 52.42 H new ATOM 854 N VAL A 56 5.309 7.342 1.241 1.00 75.31 N ATOM 855 CA VAL A 56 4.315 6.730 0.418 1.00 42.24 C ATOM 856 C VAL A 56 4.580 7.034 -1.015 1.00 71.23 C ATOM 857 O VAL A 56 4.625 6.129 -1.818 1.00 70.23 O ATOM 858 CB VAL A 56 2.895 7.182 0.809 1.00 33.41 C ATOM 859 CG1 VAL A 56 1.842 6.644 -0.149 1.00 1.40 C ATOM 860 CG2 VAL A 56 2.598 6.752 2.224 1.00 35.30 C ATOM 0 H VAL A 56 4.979 8.163 1.749 1.00 75.31 H new ATOM 0 HA VAL A 56 4.371 5.652 0.572 1.00 42.24 H new ATOM 0 HB VAL A 56 2.857 8.269 0.745 1.00 33.41 H new ATOM 0 HG11 VAL A 56 0.856 6.987 0.164 1.00 1.40 H new ATOM 0 HG12 VAL A 56 2.049 7.005 -1.157 1.00 1.40 H new ATOM 0 HG13 VAL A 56 1.866 5.554 -0.142 1.00 1.40 H new ATOM 0 HG21 VAL A 56 1.593 7.073 2.498 1.00 35.30 H new ATOM 0 HG22 VAL A 56 2.665 5.666 2.296 1.00 35.30 H new ATOM 0 HG23 VAL A 56 3.321 7.206 2.902 1.00 35.30 H new ATOM 870 N ARG A 57 4.802 8.313 -1.321 1.00 14.43 N ATOM 871 CA ARG A 57 5.066 8.757 -2.700 1.00 32.10 C ATOM 872 C ARG A 57 6.221 7.943 -3.268 1.00 41.13 C ATOM 873 O ARG A 57 6.176 7.473 -4.392 1.00 13.43 O ATOM 874 CB ARG A 57 5.479 10.241 -2.742 1.00 54.35 C ATOM 875 CG ARG A 57 4.545 11.216 -2.043 1.00 2.02 C ATOM 876 CD ARG A 57 5.087 12.638 -2.146 1.00 23.34 C ATOM 877 NE ARG A 57 4.349 13.598 -1.305 1.00 13.01 N ATOM 878 CZ ARG A 57 4.418 14.939 -1.416 1.00 41.45 C ATOM 879 NH1 ARG A 57 5.104 15.495 -2.410 1.00 71.41 N ATOM 880 NH2 ARG A 57 3.787 15.713 -0.528 1.00 0.31 N ATOM 0 H ARG A 57 4.805 9.066 -0.633 1.00 14.43 H new ATOM 0 HA ARG A 57 4.152 8.620 -3.278 1.00 32.10 H new ATOM 0 HB2 ARG A 57 6.469 10.334 -2.295 1.00 54.35 H new ATOM 0 HB3 ARG A 57 5.571 10.542 -3.786 1.00 54.35 H new ATOM 0 HG2 ARG A 57 3.553 11.165 -2.492 1.00 2.02 H new ATOM 0 HG3 ARG A 57 4.435 10.937 -0.995 1.00 2.02 H new ATOM 0 HD2 ARG A 57 6.138 12.642 -1.856 1.00 23.34 H new ATOM 0 HD3 ARG A 57 5.042 12.964 -3.185 1.00 23.34 H new ATOM 0 HE ARG A 57 3.738 13.217 -0.582 1.00 13.01 H new ATOM 0 HH11 ARG A 57 5.581 14.906 -3.093 1.00 71.41 H new ATOM 0 HH12 ARG A 57 5.153 16.511 -2.490 1.00 71.41 H new ATOM 0 HH21 ARG A 57 3.255 15.288 0.231 1.00 0.31 H new ATOM 0 HH22 ARG A 57 3.838 16.728 -0.610 1.00 0.31 H new ATOM 894 N ASP A 58 7.223 7.758 -2.441 1.00 63.04 N ATOM 895 CA ASP A 58 8.430 7.051 -2.805 1.00 70.54 C ATOM 896 C ASP A 58 8.151 5.566 -3.105 1.00 23.51 C ATOM 897 O ASP A 58 8.602 5.038 -4.120 1.00 65.21 O ATOM 898 CB ASP A 58 9.451 7.201 -1.677 1.00 24.24 C ATOM 899 CG ASP A 58 10.816 6.625 -1.985 1.00 24.42 C ATOM 900 OD1 ASP A 58 11.666 7.354 -2.546 1.00 1.24 O ATOM 901 OD2 ASP A 58 11.077 5.463 -1.619 1.00 72.22 O ATOM 0 H ASP A 58 7.223 8.100 -1.480 1.00 63.04 H new ATOM 0 HA ASP A 58 8.831 7.485 -3.721 1.00 70.54 H new ATOM 0 HB2 ASP A 58 9.562 8.260 -1.443 1.00 24.24 H new ATOM 0 HB3 ASP A 58 9.059 6.716 -0.783 1.00 24.24 H new ATOM 906 N CYS A 59 7.359 4.906 -2.258 1.00 72.13 N ATOM 907 CA CYS A 59 7.111 3.471 -2.436 1.00 42.12 C ATOM 908 C CYS A 59 5.967 3.167 -3.369 1.00 73.23 C ATOM 909 O CYS A 59 5.999 2.164 -4.103 1.00 20.53 O ATOM 910 CB CYS A 59 6.866 2.799 -1.133 1.00 50.43 C ATOM 911 SG CYS A 59 8.253 2.918 0.017 1.00 20.21 S ATOM 0 H CYS A 59 6.887 5.329 -1.459 1.00 72.13 H new ATOM 0 HA CYS A 59 8.020 3.080 -2.893 1.00 42.12 H new ATOM 0 HB2 CYS A 59 5.982 3.237 -0.669 1.00 50.43 H new ATOM 0 HB3 CYS A 59 6.644 1.747 -1.313 1.00 50.43 H new ATOM 916 N VAL A 60 4.959 4.018 -3.361 1.00 11.04 N ATOM 917 CA VAL A 60 3.813 3.847 -4.219 1.00 4.01 C ATOM 918 C VAL A 60 4.303 4.015 -5.659 1.00 1.05 C ATOM 919 O VAL A 60 3.746 3.488 -6.591 1.00 12.15 O ATOM 920 CB VAL A 60 2.661 4.870 -3.879 1.00 4.33 C ATOM 921 CG1 VAL A 60 2.926 6.244 -4.431 1.00 71.42 C ATOM 922 CG2 VAL A 60 1.318 4.382 -4.327 1.00 44.32 C ATOM 0 H VAL A 60 4.916 4.842 -2.761 1.00 11.04 H new ATOM 0 HA VAL A 60 3.379 2.858 -4.072 1.00 4.01 H new ATOM 0 HB VAL A 60 2.649 4.945 -2.792 1.00 4.33 H new ATOM 0 HG11 VAL A 60 2.102 6.907 -4.168 1.00 71.42 H new ATOM 0 HG12 VAL A 60 3.853 6.633 -4.010 1.00 71.42 H new ATOM 0 HG13 VAL A 60 3.015 6.189 -5.516 1.00 71.42 H new ATOM 0 HG21 VAL A 60 0.558 5.121 -4.071 1.00 44.32 H new ATOM 0 HG22 VAL A 60 1.327 4.231 -5.406 1.00 44.32 H new ATOM 0 HG23 VAL A 60 1.089 3.439 -3.830 1.00 44.32 H new ATOM 932 N ARG A 61 5.380 4.759 -5.802 1.00 41.22 N ATOM 933 CA ARG A 61 5.995 4.963 -7.098 1.00 31.11 C ATOM 934 C ARG A 61 7.033 3.909 -7.399 1.00 14.21 C ATOM 935 O ARG A 61 7.266 3.593 -8.543 1.00 63.35 O ATOM 936 CB ARG A 61 6.530 6.379 -7.310 1.00 31.54 C ATOM 937 CG ARG A 61 5.443 7.424 -7.554 1.00 44.30 C ATOM 938 CD ARG A 61 4.686 7.131 -8.851 1.00 54.35 C ATOM 939 NE ARG A 61 3.640 8.124 -9.131 1.00 71.32 N ATOM 940 CZ ARG A 61 2.937 8.199 -10.279 1.00 11.12 C ATOM 941 NH1 ARG A 61 3.149 7.326 -11.266 1.00 14.21 N ATOM 942 NH2 ARG A 61 2.017 9.134 -10.422 1.00 23.11 N ATOM 0 H ARG A 61 5.850 5.235 -5.032 1.00 41.22 H new ATOM 0 HA ARG A 61 5.192 4.849 -7.826 1.00 31.11 H new ATOM 0 HB2 ARG A 61 7.111 6.672 -6.435 1.00 31.54 H new ATOM 0 HB3 ARG A 61 7.213 6.375 -8.160 1.00 31.54 H new ATOM 0 HG2 ARG A 61 4.746 7.433 -6.716 1.00 44.30 H new ATOM 0 HG3 ARG A 61 5.892 8.416 -7.606 1.00 44.30 H new ATOM 0 HD2 ARG A 61 5.391 7.108 -9.682 1.00 54.35 H new ATOM 0 HD3 ARG A 61 4.234 6.141 -8.788 1.00 54.35 H new ATOM 0 HE ARG A 61 3.430 8.807 -8.403 1.00 71.32 H new ATOM 0 HH11 ARG A 61 3.849 6.592 -11.156 1.00 14.21 H new ATOM 0 HH12 ARG A 61 2.611 7.393 -12.130 1.00 14.21 H new ATOM 0 HH21 ARG A 61 1.841 9.796 -9.666 1.00 23.11 H new ATOM 0 HH22 ARG A 61 1.482 9.195 -11.288 1.00 23.11 H new ATOM 956 N SER A 62 7.641 3.363 -6.364 1.00 53.32 N ATOM 957 CA SER A 62 8.606 2.285 -6.511 1.00 11.24 C ATOM 958 C SER A 62 7.936 1.086 -7.202 1.00 43.43 C ATOM 959 O SER A 62 8.451 0.545 -8.184 1.00 3.34 O ATOM 960 CB SER A 62 9.153 1.884 -5.126 1.00 53.45 C ATOM 961 OG SER A 62 10.153 0.891 -5.221 1.00 35.12 O ATOM 0 H SER A 62 7.482 3.652 -5.399 1.00 53.32 H new ATOM 0 HA SER A 62 9.441 2.620 -7.127 1.00 11.24 H new ATOM 0 HB2 SER A 62 9.561 2.764 -4.629 1.00 53.45 H new ATOM 0 HB3 SER A 62 8.335 1.517 -4.505 1.00 53.45 H new ATOM 0 HG SER A 62 10.476 0.665 -4.324 1.00 35.12 H new ATOM 967 N MET A 63 6.765 0.701 -6.705 1.00 31.33 N ATOM 968 CA MET A 63 6.020 -0.406 -7.297 1.00 54.21 C ATOM 969 C MET A 63 5.414 0.011 -8.633 1.00 10.34 C ATOM 970 O MET A 63 5.269 -0.803 -9.546 1.00 52.11 O ATOM 971 CB MET A 63 4.944 -0.926 -6.343 1.00 22.24 C ATOM 972 CG MET A 63 5.498 -1.495 -5.046 1.00 3.40 C ATOM 973 SD MET A 63 6.630 -2.875 -5.325 1.00 25.23 S ATOM 974 CE MET A 63 7.105 -3.254 -3.638 1.00 35.24 C ATOM 0 H MET A 63 6.313 1.135 -5.900 1.00 31.33 H new ATOM 0 HA MET A 63 6.718 -1.223 -7.478 1.00 54.21 H new ATOM 0 HB2 MET A 63 4.256 -0.114 -6.108 1.00 22.24 H new ATOM 0 HB3 MET A 63 4.365 -1.698 -6.849 1.00 22.24 H new ATOM 0 HG2 MET A 63 6.018 -0.708 -4.500 1.00 3.40 H new ATOM 0 HG3 MET A 63 4.672 -1.828 -4.417 1.00 3.40 H new ATOM 0 HE1 MET A 63 7.933 -3.963 -3.644 1.00 35.24 H new ATOM 0 HE2 MET A 63 7.414 -2.339 -3.133 1.00 35.24 H new ATOM 0 HE3 MET A 63 6.257 -3.691 -3.111 1.00 35.24 H new ATOM 984 N ASP A 64 5.094 1.287 -8.741 1.00 43.41 N ATOM 985 CA ASP A 64 4.547 1.870 -9.969 1.00 4.14 C ATOM 986 C ASP A 64 5.575 1.832 -11.081 1.00 23.42 C ATOM 987 O ASP A 64 5.246 1.607 -12.241 1.00 75.10 O ATOM 988 CB ASP A 64 4.113 3.308 -9.716 1.00 62.34 C ATOM 989 CG ASP A 64 3.600 4.016 -10.945 1.00 73.43 C ATOM 990 OD1 ASP A 64 2.483 3.710 -11.402 1.00 72.51 O ATOM 991 OD2 ASP A 64 4.301 4.898 -11.464 1.00 32.32 O ATOM 0 H ASP A 64 5.204 1.958 -7.980 1.00 43.41 H new ATOM 0 HA ASP A 64 3.681 1.282 -10.274 1.00 4.14 H new ATOM 0 HB2 ASP A 64 3.334 3.313 -8.954 1.00 62.34 H new ATOM 0 HB3 ASP A 64 4.958 3.867 -9.313 1.00 62.34 H new ATOM 996 N ARG A 65 6.823 2.026 -10.710 1.00 75.35 N ATOM 997 CA ARG A 65 7.932 2.006 -11.637 1.00 53.52 C ATOM 998 C ARG A 65 8.113 0.588 -12.190 1.00 24.22 C ATOM 999 O ARG A 65 8.503 0.391 -13.347 1.00 2.03 O ATOM 1000 CB ARG A 65 9.215 2.431 -10.919 1.00 4.02 C ATOM 1001 CG ARG A 65 10.420 2.648 -11.831 1.00 73.24 C ATOM 1002 CD ARG A 65 10.340 3.963 -12.611 1.00 43.03 C ATOM 1003 NE ARG A 65 9.155 4.093 -13.478 1.00 54.24 N ATOM 1004 CZ ARG A 65 8.627 5.273 -13.856 1.00 73.44 C ATOM 1005 NH1 ARG A 65 9.190 6.419 -13.463 1.00 51.44 N ATOM 1006 NH2 ARG A 65 7.542 5.303 -14.622 1.00 61.41 N ATOM 0 H ARG A 65 7.098 2.204 -9.744 1.00 75.35 H new ATOM 0 HA ARG A 65 7.726 2.697 -12.454 1.00 53.52 H new ATOM 0 HB2 ARG A 65 9.020 3.354 -10.373 1.00 4.02 H new ATOM 0 HB3 ARG A 65 9.469 1.671 -10.180 1.00 4.02 H new ATOM 0 HG2 ARG A 65 11.330 2.640 -11.232 1.00 73.24 H new ATOM 0 HG3 ARG A 65 10.494 1.817 -12.533 1.00 73.24 H new ATOM 0 HD2 ARG A 65 10.348 4.791 -11.902 1.00 43.03 H new ATOM 0 HD3 ARG A 65 11.235 4.061 -13.225 1.00 43.03 H new ATOM 0 HE ARG A 65 8.708 3.239 -13.811 1.00 54.24 H new ATOM 0 HH11 ARG A 65 10.023 6.403 -12.874 1.00 51.44 H new ATOM 0 HH12 ARG A 65 8.787 7.310 -13.752 1.00 51.44 H new ATOM 0 HH21 ARG A 65 7.107 4.431 -14.925 1.00 61.41 H new ATOM 0 HH22 ARG A 65 7.144 6.198 -14.907 1.00 61.41 H new ATOM 1020 N LYS A 66 7.829 -0.390 -11.346 1.00 3.25 N ATOM 1021 CA LYS A 66 7.937 -1.793 -11.710 1.00 55.44 C ATOM 1022 C LYS A 66 6.738 -2.230 -12.543 1.00 54.32 C ATOM 1023 O LYS A 66 6.787 -3.233 -13.254 1.00 72.04 O ATOM 1024 CB LYS A 66 8.084 -2.658 -10.461 1.00 65.31 C ATOM 1025 CG LYS A 66 9.299 -2.287 -9.615 1.00 15.10 C ATOM 1026 CD LYS A 66 9.468 -3.189 -8.400 1.00 1.54 C ATOM 1027 CE LYS A 66 9.718 -4.640 -8.798 1.00 12.02 C ATOM 1028 NZ LYS A 66 10.937 -4.801 -9.634 1.00 32.01 N ATOM 0 H LYS A 66 7.517 -0.233 -10.388 1.00 3.25 H new ATOM 0 HA LYS A 66 8.831 -1.924 -12.320 1.00 55.44 H new ATOM 0 HB2 LYS A 66 7.184 -2.565 -9.854 1.00 65.31 H new ATOM 0 HB3 LYS A 66 8.161 -3.704 -10.758 1.00 65.31 H new ATOM 0 HG2 LYS A 66 10.196 -2.343 -10.231 1.00 15.10 H new ATOM 0 HG3 LYS A 66 9.204 -1.253 -9.284 1.00 15.10 H new ATOM 0 HD2 LYS A 66 10.300 -2.830 -7.795 1.00 1.54 H new ATOM 0 HD3 LYS A 66 8.574 -3.132 -7.779 1.00 1.54 H new ATOM 0 HE2 LYS A 66 9.816 -5.248 -7.899 1.00 12.02 H new ATOM 0 HE3 LYS A 66 8.854 -5.017 -9.345 1.00 12.02 H new ATOM 0 HZ1 LYS A 66 11.167 -5.811 -9.722 1.00 32.01 H new ATOM 0 HZ2 LYS A 66 10.765 -4.402 -10.579 1.00 32.01 H new ATOM 0 HZ3 LYS A 66 11.733 -4.302 -9.187 1.00 32.01 H new ATOM 1042 N SER A 67 5.678 -1.465 -12.453 1.00 71.32 N ATOM 1043 CA SER A 67 4.494 -1.717 -13.220 1.00 64.53 C ATOM 1044 C SER A 67 4.673 -1.062 -14.590 1.00 73.42 C ATOM 1045 O SER A 67 5.136 0.084 -14.681 1.00 1.22 O ATOM 1046 CB SER A 67 3.281 -1.117 -12.500 1.00 21.54 C ATOM 1047 OG SER A 67 3.179 -1.616 -11.163 1.00 11.34 O ATOM 0 H SER A 67 5.617 -0.650 -11.843 1.00 71.32 H new ATOM 0 HA SER A 67 4.330 -2.788 -13.337 1.00 64.53 H new ATOM 0 HB2 SER A 67 3.366 -0.030 -12.481 1.00 21.54 H new ATOM 0 HB3 SER A 67 2.372 -1.356 -13.051 1.00 21.54 H new ATOM 0 HG SER A 67 3.926 -1.274 -10.628 1.00 11.34 H new ATOM 1053 N ASN A 68 4.340 -1.774 -15.643 1.00 71.41 N ATOM 1054 CA ASN A 68 4.511 -1.235 -16.987 1.00 31.12 C ATOM 1055 C ASN A 68 3.451 -0.178 -17.256 1.00 34.20 C ATOM 1056 O ASN A 68 3.724 0.862 -17.864 1.00 51.03 O ATOM 1057 CB ASN A 68 4.443 -2.344 -18.039 1.00 2.34 C ATOM 1058 CG ASN A 68 4.708 -1.836 -19.448 1.00 60.10 C ATOM 1059 OD1 ASN A 68 5.452 -0.881 -19.654 1.00 63.44 O ATOM 1060 ND2 ASN A 68 4.119 -2.476 -20.419 1.00 53.31 N ATOM 0 H ASN A 68 3.953 -2.717 -15.604 1.00 71.41 H new ATOM 0 HA ASN A 68 5.497 -0.776 -17.053 1.00 31.12 H new ATOM 0 HB2 ASN A 68 5.171 -3.117 -17.793 1.00 2.34 H new ATOM 0 HB3 ASN A 68 3.459 -2.811 -18.005 1.00 2.34 H new ATOM 0 HD21 ASN A 68 4.270 -2.187 -21.386 1.00 53.31 H new ATOM 0 HD22 ASN A 68 3.507 -3.265 -20.212 1.00 53.31 H new ATOM 1067 N THR A 69 2.269 -0.434 -16.773 1.00 70.30 N ATOM 1068 CA THR A 69 1.175 0.479 -16.918 1.00 1.32 C ATOM 1069 C THR A 69 0.536 0.725 -15.551 1.00 44.20 C ATOM 1070 O THR A 69 0.844 0.017 -14.576 1.00 51.52 O ATOM 1071 CB THR A 69 0.131 -0.043 -17.944 1.00 34.10 C ATOM 1072 OG1 THR A 69 -0.980 0.868 -18.071 1.00 33.33 O ATOM 1073 CG2 THR A 69 -0.369 -1.388 -17.534 1.00 42.11 C ATOM 0 H THR A 69 2.037 -1.287 -16.265 1.00 70.30 H new ATOM 0 HA THR A 69 1.554 1.424 -17.308 1.00 1.32 H new ATOM 0 HB THR A 69 0.626 -0.119 -18.912 1.00 34.10 H new ATOM 0 HG1 THR A 69 -1.620 0.515 -18.724 1.00 33.33 H new ATOM 0 HG21 THR A 69 -1.100 -1.742 -18.261 1.00 42.11 H new ATOM 0 HG22 THR A 69 0.465 -2.088 -17.488 1.00 42.11 H new ATOM 0 HG23 THR A 69 -0.839 -1.318 -16.553 1.00 42.11 H new ATOM 1081 N ARG A 70 -0.323 1.696 -15.474 1.00 12.00 N ATOM 1082 CA ARG A 70 -0.973 2.064 -14.249 1.00 50.51 C ATOM 1083 C ARG A 70 -2.271 2.736 -14.556 1.00 21.30 C ATOM 1084 O ARG A 70 -2.667 2.841 -15.728 1.00 13.03 O ATOM 1085 CB ARG A 70 -0.127 3.065 -13.477 1.00 75.31 C ATOM 1086 CG ARG A 70 0.218 4.315 -14.283 1.00 4.21 C ATOM 1087 CD ARG A 70 0.707 5.418 -13.392 1.00 64.01 C ATOM 1088 NE ARG A 70 -0.384 5.941 -12.558 1.00 31.34 N ATOM 1089 CZ ARG A 70 -0.372 6.028 -11.231 1.00 2.10 C ATOM 1090 NH1 ARG A 70 0.594 5.454 -10.530 1.00 33.02 N ATOM 1091 NH2 ARG A 70 -1.369 6.643 -10.606 1.00 54.34 N ATOM 0 H ARG A 70 -0.598 2.266 -16.274 1.00 12.00 H new ATOM 0 HA ARG A 70 -1.122 1.158 -13.662 1.00 50.51 H new ATOM 0 HB2 ARG A 70 -0.660 3.360 -12.573 1.00 75.31 H new ATOM 0 HB3 ARG A 70 0.796 2.581 -13.159 1.00 75.31 H new ATOM 0 HG2 ARG A 70 0.983 4.075 -15.022 1.00 4.21 H new ATOM 0 HG3 ARG A 70 -0.662 4.651 -14.832 1.00 4.21 H new ATOM 0 HD2 ARG A 70 1.511 5.048 -12.756 1.00 64.01 H new ATOM 0 HD3 ARG A 70 1.125 6.222 -13.998 1.00 64.01 H new ATOM 0 HE ARG A 70 -1.223 6.265 -13.039 1.00 31.34 H new ATOM 0 HH11 ARG A 70 1.335 4.941 -11.008 1.00 33.02 H new ATOM 0 HH12 ARG A 70 0.597 5.525 -9.512 1.00 33.02 H new ATOM 0 HH21 ARG A 70 -2.137 7.045 -11.143 1.00 54.34 H new ATOM 0 HH22 ARG A 70 -1.367 6.714 -9.588 1.00 54.34 H new ATOM 1105 N ASN A 71 -2.918 3.193 -13.512 1.00 14.22 N ATOM 1106 CA ASN A 71 -4.082 4.022 -13.624 1.00 14.50 C ATOM 1107 C ASN A 71 -3.628 5.342 -14.209 1.00 34.13 C ATOM 1108 O ASN A 71 -3.023 6.173 -13.512 1.00 45.33 O ATOM 1109 CB ASN A 71 -4.700 4.246 -12.241 1.00 13.35 C ATOM 1110 CG ASN A 71 -5.907 5.146 -12.275 1.00 32.33 C ATOM 1111 OD1 ASN A 71 -6.637 5.187 -13.250 1.00 31.45 O ATOM 1112 ND2 ASN A 71 -6.128 5.867 -11.208 1.00 40.11 N ATOM 0 H ASN A 71 -2.643 2.994 -12.550 1.00 14.22 H new ATOM 0 HA ASN A 71 -4.836 3.554 -14.257 1.00 14.50 H new ATOM 0 HB2 ASN A 71 -4.983 3.283 -11.815 1.00 13.35 H new ATOM 0 HB3 ASN A 71 -3.949 4.679 -11.579 1.00 13.35 H new ATOM 0 HD21 ASN A 71 -6.934 6.491 -11.172 1.00 40.11 H new ATOM 0 HD22 ASN A 71 -5.494 5.806 -10.411 1.00 40.11 H new ATOM 1119 N ASN A 72 -3.846 5.508 -15.478 1.00 22.01 N ATOM 1120 CA ASN A 72 -3.357 6.660 -16.175 1.00 71.11 C ATOM 1121 C ASN A 72 -4.379 7.748 -16.232 1.00 3.54 C ATOM 1122 O ASN A 72 -5.450 7.591 -16.835 1.00 32.32 O ATOM 1123 CB ASN A 72 -2.867 6.293 -17.582 1.00 1.51 C ATOM 1124 CG ASN A 72 -2.369 7.503 -18.363 1.00 24.50 C ATOM 1125 OD1 ASN A 72 -3.122 8.140 -19.099 1.00 44.24 O ATOM 1126 ND2 ASN A 72 -1.114 7.832 -18.198 1.00 64.22 N ATOM 0 H ASN A 72 -4.367 4.851 -16.059 1.00 22.01 H new ATOM 0 HA ASN A 72 -2.506 7.040 -15.610 1.00 71.11 H new ATOM 0 HB2 ASN A 72 -2.064 5.560 -17.503 1.00 1.51 H new ATOM 0 HB3 ASN A 72 -3.679 5.818 -18.133 1.00 1.51 H new ATOM 0 HD21 ASN A 72 -0.730 8.640 -18.688 1.00 64.22 H new ATOM 0 HD22 ASN A 72 -0.519 7.280 -17.580 1.00 64.22 H new ATOM 1133 N MET A 73 -4.057 8.834 -15.601 1.00 53.44 N ATOM 1134 CA MET A 73 -4.892 9.992 -15.588 1.00 44.30 C ATOM 1135 C MET A 73 -4.535 10.861 -16.787 1.00 3.44 C ATOM 1136 O MET A 73 -3.578 11.642 -16.741 1.00 4.34 O ATOM 1137 CB MET A 73 -4.695 10.756 -14.273 1.00 12.35 C ATOM 1138 CG MET A 73 -5.543 12.005 -14.121 1.00 40.42 C ATOM 1139 SD MET A 73 -5.259 12.854 -12.544 1.00 11.25 S ATOM 1140 CE MET A 73 -5.749 11.579 -11.369 1.00 63.22 C ATOM 0 H MET A 73 -3.192 8.941 -15.072 1.00 53.44 H new ATOM 0 HA MET A 73 -5.942 9.707 -15.656 1.00 44.30 H new ATOM 0 HB2 MET A 73 -4.914 10.083 -13.444 1.00 12.35 H new ATOM 0 HB3 MET A 73 -3.645 11.036 -14.187 1.00 12.35 H new ATOM 0 HG2 MET A 73 -5.326 12.689 -14.942 1.00 40.42 H new ATOM 0 HG3 MET A 73 -6.596 11.736 -14.200 1.00 40.42 H new ATOM 0 HE1 MET A 73 -5.989 12.040 -10.411 1.00 63.22 H new ATOM 0 HE2 MET A 73 -6.625 11.052 -11.748 1.00 63.22 H new ATOM 0 HE3 MET A 73 -4.930 10.872 -11.236 1.00 63.22 H new ATOM 1150 N ILE A 74 -5.250 10.679 -17.873 1.00 14.32 N ATOM 1151 CA ILE A 74 -4.989 11.407 -19.062 1.00 23.44 C ATOM 1152 C ILE A 74 -5.630 12.791 -18.998 1.00 40.42 C ATOM 1153 O ILE A 74 -6.857 12.937 -18.888 1.00 13.00 O ATOM 1154 CB ILE A 74 -5.412 10.619 -20.341 1.00 44.00 C ATOM 1155 CG1 ILE A 74 -5.097 11.434 -21.576 1.00 64.13 C ATOM 1156 CG2 ILE A 74 -6.884 10.203 -20.305 1.00 3.03 C ATOM 1157 CD1 ILE A 74 -5.368 10.725 -22.887 1.00 63.33 C ATOM 0 H ILE A 74 -6.025 10.020 -17.942 1.00 14.32 H new ATOM 0 HA ILE A 74 -3.910 11.545 -19.137 1.00 23.44 H new ATOM 0 HB ILE A 74 -4.834 9.695 -20.373 1.00 44.00 H new ATOM 0 HG12 ILE A 74 -5.682 12.353 -21.548 1.00 64.13 H new ATOM 0 HG13 ILE A 74 -4.047 11.724 -21.545 1.00 64.13 H new ATOM 0 HG21 ILE A 74 -7.130 9.658 -21.216 1.00 3.03 H new ATOM 0 HG22 ILE A 74 -7.060 9.563 -19.440 1.00 3.03 H new ATOM 0 HG23 ILE A 74 -7.511 11.091 -20.233 1.00 3.03 H new ATOM 0 HD11 ILE A 74 -5.113 11.384 -23.717 1.00 63.33 H new ATOM 0 HD12 ILE A 74 -4.762 9.820 -22.943 1.00 63.33 H new ATOM 0 HD13 ILE A 74 -6.423 10.459 -22.946 1.00 63.33 H new ATOM 1169 N GLN A 75 -4.805 13.783 -19.024 1.00 33.22 N ATOM 1170 CA GLN A 75 -5.238 15.138 -18.935 1.00 61.34 C ATOM 1171 C GLN A 75 -4.531 15.966 -19.977 1.00 25.23 C ATOM 1172 O GLN A 75 -5.198 16.474 -20.885 1.00 38.90 O ATOM 1173 CB GLN A 75 -5.062 15.690 -17.507 1.00 32.23 C ATOM 1174 CG GLN A 75 -3.643 15.629 -16.952 1.00 72.15 C ATOM 1175 CD GLN A 75 -3.557 16.112 -15.520 1.00 52.05 C ATOM 1176 OE1 GLN A 75 -4.504 15.971 -14.742 1.00 11.44 O ATOM 1177 NE2 GLN A 75 -2.433 16.687 -15.161 1.00 2.52 N ATOM 0 H GLN A 75 -3.794 13.674 -19.109 1.00 33.22 H new ATOM 0 HA GLN A 75 -6.307 15.190 -19.143 1.00 61.34 H new ATOM 0 HB2 GLN A 75 -5.395 16.728 -17.493 1.00 32.23 H new ATOM 0 HB3 GLN A 75 -5.720 15.135 -16.838 1.00 32.23 H new ATOM 0 HG2 GLN A 75 -3.279 14.603 -17.008 1.00 72.15 H new ATOM 0 HG3 GLN A 75 -2.986 16.235 -17.576 1.00 72.15 H new ATOM 0 HE21 GLN A 75 -1.673 16.785 -15.834 1.00 2.52 H new ATOM 0 HE22 GLN A 75 -2.320 17.036 -14.209 1.00 2.52 H new TER 1186 GLN A 75