USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 406 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 43 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 45 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 16 ASN : amide:sc= 1.05 K(o=0.43,f=-3.8!) USER MOD Set 2.2: A 22 SER OG : rot 180:sc= -0.618 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.134 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 7 GLN : amide:sc= 0.411 X(o=0.41,f=-0.026) USER MOD Single : A 9 LYS NZ :NH3+ -166:sc= 0.617 (180deg=0.513) USER MOD Single : A 14 TYR OH : rot 1:sc= 1.28 USER MOD Single : A 21 SER OG : rot -105:sc= 1.24 USER MOD Single : A 24 TYR OH : rot 30:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00563 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= 0.778 (180deg=0.339) USER MOD Single : A 50 THR OG1 : rot 160:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0364 K(o=-0.036,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.349 -6.450 -6.680 1.00 25.00 N ATOM 2 CA GLY A 1 2.641 -5.517 -7.602 1.00 25.00 C ATOM 3 C GLY A 1 3.150 -4.099 -7.454 1.00 25.00 C ATOM 4 O GLY A 1 4.069 -3.894 -6.690 1.00 25.00 O ATOM 0 H1 GLY A 1 3.787 -7.216 -7.230 1.00 25.00 H new ATOM 0 H2 GLY A 1 4.086 -5.932 -6.160 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.669 -6.854 -6.005 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.777 -5.848 -8.632 1.00 25.00 H new ATOM 0 HA3 GLY A 1 1.571 -5.544 -7.397 1.00 25.00 H new ATOM 10 N SER A 2 2.574 -3.133 -8.156 1.00 25.00 N ATOM 11 CA SER A 2 2.995 -1.728 -8.050 1.00 25.00 C ATOM 12 C SER A 2 1.714 -0.905 -7.856 1.00 25.00 C ATOM 13 O SER A 2 0.639 -1.370 -8.250 1.00 25.00 O ATOM 14 CB SER A 2 3.746 -1.304 -9.320 1.00 25.00 C ATOM 15 OG SER A 2 4.918 -0.569 -9.005 1.00 25.00 O ATOM 0 H SER A 2 1.808 -3.290 -8.811 1.00 25.00 H new ATOM 0 HA SER A 2 3.678 -1.573 -7.215 1.00 25.00 H new ATOM 0 HB2 SER A 2 4.013 -2.188 -9.899 1.00 25.00 H new ATOM 0 HB3 SER A 2 3.092 -0.698 -9.947 1.00 25.00 H new ATOM 0 HG SER A 2 5.376 -0.314 -9.833 1.00 25.00 H new ATOM 21 N PRO A 3 1.794 0.275 -7.206 1.00 25.00 N ATOM 22 CA PRO A 3 0.560 1.011 -6.900 1.00 25.00 C ATOM 23 C PRO A 3 -0.284 1.400 -8.120 1.00 25.00 C ATOM 24 O PRO A 3 0.208 1.961 -9.084 1.00 25.00 O ATOM 25 CB PRO A 3 1.081 2.272 -6.195 1.00 25.00 C ATOM 26 CG PRO A 3 2.388 1.856 -5.621 1.00 25.00 C ATOM 27 CD PRO A 3 2.983 0.968 -6.661 1.00 25.00 C ATOM 0 HA PRO A 3 -0.118 0.392 -6.313 1.00 25.00 H new ATOM 0 HB2 PRO A 3 1.199 3.099 -6.895 1.00 25.00 H new ATOM 0 HB3 PRO A 3 0.393 2.607 -5.418 1.00 25.00 H new ATOM 0 HG2 PRO A 3 3.026 2.717 -5.421 1.00 25.00 H new ATOM 0 HG3 PRO A 3 2.257 1.329 -4.676 1.00 25.00 H new ATOM 0 HD2 PRO A 3 3.509 1.537 -7.428 1.00 25.00 H new ATOM 0 HD3 PRO A 3 3.701 0.268 -6.235 1.00 25.00 H new ATOM 35 N THR A 4 -1.586 1.156 -8.027 1.00 25.00 N ATOM 36 CA THR A 4 -2.538 1.474 -9.107 1.00 25.00 C ATOM 37 C THR A 4 -2.625 2.980 -9.359 1.00 25.00 C ATOM 38 O THR A 4 -3.053 3.440 -10.414 1.00 25.00 O ATOM 39 CB THR A 4 -3.930 0.910 -8.779 1.00 25.00 C ATOM 40 OG1 THR A 4 -3.859 0.148 -7.579 1.00 25.00 O ATOM 41 CG2 THR A 4 -4.431 0.001 -9.899 1.00 25.00 C ATOM 0 H THR A 4 -2.020 0.733 -7.206 1.00 25.00 H new ATOM 0 HA THR A 4 -2.168 1.005 -10.019 1.00 25.00 H new ATOM 0 HB THR A 4 -4.618 1.748 -8.665 1.00 25.00 H new ATOM 0 HG1 THR A 4 -4.746 -0.211 -7.367 1.00 25.00 H new ATOM 0 HG21 THR A 4 -5.418 -0.384 -9.641 1.00 25.00 H new ATOM 0 HG22 THR A 4 -4.494 0.569 -10.827 1.00 25.00 H new ATOM 0 HG23 THR A 4 -3.739 -0.831 -10.029 1.00 25.00 H new ATOM 49 N PHE A 5 -2.121 3.730 -8.389 1.00 25.00 N ATOM 50 CA PHE A 5 -1.986 5.180 -8.482 1.00 25.00 C ATOM 51 C PHE A 5 -1.178 5.597 -9.722 1.00 25.00 C ATOM 52 O PHE A 5 -1.530 6.566 -10.379 1.00 25.00 O ATOM 53 CB PHE A 5 -1.252 5.665 -7.212 1.00 25.00 C ATOM 54 CG PHE A 5 -1.076 7.154 -7.144 1.00 25.00 C ATOM 55 CD1 PHE A 5 0.103 7.761 -7.595 1.00 25.00 C ATOM 56 CD2 PHE A 5 -2.099 7.966 -6.632 1.00 25.00 C ATOM 57 CE1 PHE A 5 0.280 9.168 -7.506 1.00 25.00 C ATOM 58 CE2 PHE A 5 -1.943 9.362 -6.559 1.00 25.00 C ATOM 59 CZ PHE A 5 -0.751 9.959 -6.984 1.00 25.00 C ATOM 0 H PHE A 5 -1.790 3.346 -7.504 1.00 25.00 H new ATOM 0 HA PHE A 5 -2.977 5.626 -8.569 1.00 25.00 H new ATOM 0 HB2 PHE A 5 -1.807 5.334 -6.334 1.00 25.00 H new ATOM 0 HB3 PHE A 5 -0.272 5.190 -7.167 1.00 25.00 H new ATOM 0 HD1 PHE A 5 0.888 7.151 -8.016 1.00 25.00 H new ATOM 0 HD2 PHE A 5 -3.018 7.514 -6.290 1.00 25.00 H new ATOM 0 HE1 PHE A 5 1.201 9.623 -7.838 1.00 25.00 H new ATOM 0 HE2 PHE A 5 -2.745 9.974 -6.174 1.00 25.00 H new ATOM 0 HZ PHE A 5 -0.626 11.029 -6.910 1.00 25.00 H new ATOM 69 N CYS A 6 -0.106 4.864 -10.028 1.00 25.00 N ATOM 70 CA CYS A 6 0.771 5.206 -11.151 1.00 25.00 C ATOM 71 C CYS A 6 0.730 4.153 -12.273 1.00 25.00 C ATOM 72 O CYS A 6 1.329 4.341 -13.330 1.00 25.00 O ATOM 73 CB CYS A 6 2.192 5.407 -10.641 1.00 25.00 C ATOM 74 SG CYS A 6 3.320 6.217 -11.821 1.00 25.00 S ATOM 0 H CYS A 6 0.176 4.029 -9.514 1.00 25.00 H new ATOM 0 HA CYS A 6 0.407 6.134 -11.591 1.00 25.00 H new ATOM 0 HB2 CYS A 6 2.155 6.002 -9.729 1.00 25.00 H new ATOM 0 HB3 CYS A 6 2.607 4.436 -10.371 1.00 25.00 H new ATOM 79 N GLN A 7 0.007 3.055 -12.094 1.00 25.00 N ATOM 80 CA GLN A 7 -0.104 2.045 -13.147 1.00 25.00 C ATOM 81 C GLN A 7 -0.792 2.652 -14.362 1.00 25.00 C ATOM 82 O GLN A 7 -1.944 3.080 -14.277 1.00 25.00 O ATOM 83 CB GLN A 7 -0.891 0.856 -12.659 1.00 25.00 C ATOM 84 CG GLN A 7 -0.093 -0.193 -11.892 1.00 25.00 C ATOM 85 CD GLN A 7 -0.929 -1.455 -11.661 1.00 25.00 C ATOM 86 OE1 GLN A 7 -1.329 -2.105 -12.610 1.00 25.00 O ATOM 87 NE2 GLN A 7 -1.193 -1.796 -10.428 1.00 25.00 N ATOM 0 H GLN A 7 -0.508 2.839 -11.240 1.00 25.00 H new ATOM 0 HA GLN A 7 0.897 1.711 -13.420 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -1.696 1.214 -12.018 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -1.358 0.375 -13.518 1.00 25.00 H new ATOM 0 HG2 GLN A 7 0.810 -0.447 -12.448 1.00 25.00 H new ATOM 0 HG3 GLN A 7 0.227 0.217 -10.934 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -0.842 -1.229 -9.656 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -1.750 -2.629 -10.237 1.00 25.00 H new ATOM 96 N GLY A 8 -0.085 2.702 -15.478 1.00 25.00 N ATOM 97 CA GLY A 8 -0.639 3.233 -16.720 1.00 25.00 C ATOM 98 C GLY A 8 -0.794 4.753 -16.722 1.00 25.00 C ATOM 99 O GLY A 8 -1.533 5.305 -17.549 1.00 25.00 O ATOM 0 H GLY A 8 0.880 2.380 -15.553 1.00 25.00 H new ATOM 0 HA2 GLY A 8 0.006 2.941 -17.549 1.00 25.00 H new ATOM 0 HA3 GLY A 8 -1.613 2.777 -16.897 1.00 25.00 H new ATOM 103 N LYS A 9 -0.119 5.445 -15.814 1.00 25.00 N ATOM 104 CA LYS A 9 -0.188 6.906 -15.786 1.00 25.00 C ATOM 105 C LYS A 9 0.931 7.458 -16.620 1.00 25.00 C ATOM 106 O LYS A 9 1.999 6.878 -16.671 1.00 25.00 O ATOM 107 CB LYS A 9 -0.101 7.456 -14.384 1.00 25.00 C ATOM 108 CG LYS A 9 -1.479 7.672 -13.795 1.00 25.00 C ATOM 109 CD LYS A 9 -2.199 6.352 -13.574 1.00 25.00 C ATOM 110 CE LYS A 9 -3.525 6.520 -12.902 1.00 25.00 C ATOM 111 NZ LYS A 9 -4.069 5.159 -12.593 1.00 25.00 N ATOM 0 H LYS A 9 0.475 5.030 -15.096 1.00 25.00 H new ATOM 0 HA LYS A 9 -1.155 7.209 -16.189 1.00 25.00 H new ATOM 0 HB2 LYS A 9 0.463 6.767 -13.755 1.00 25.00 H new ATOM 0 HB3 LYS A 9 0.445 8.399 -14.394 1.00 25.00 H new ATOM 0 HG2 LYS A 9 -1.392 8.204 -12.848 1.00 25.00 H new ATOM 0 HG3 LYS A 9 -2.067 8.302 -14.462 1.00 25.00 H new ATOM 0 HD2 LYS A 9 -2.344 5.857 -14.534 1.00 25.00 H new ATOM 0 HD3 LYS A 9 -1.571 5.698 -12.970 1.00 25.00 H new ATOM 0 HE2 LYS A 9 -3.416 7.103 -11.987 1.00 25.00 H new ATOM 0 HE3 LYS A 9 -4.212 7.066 -13.548 1.00 25.00 H new ATOM 0 HZ1 LYS A 9 -5.077 5.235 -12.347 1.00 25.00 H new ATOM 0 HZ2 LYS A 9 -3.961 4.545 -13.425 1.00 25.00 H new ATOM 0 HZ3 LYS A 9 -3.547 4.750 -11.791 1.00 25.00 H new ATOM 125 N ALA A 10 0.668 8.569 -17.279 1.00 25.00 N ATOM 126 CA ALA A 10 1.676 9.209 -18.103 1.00 25.00 C ATOM 127 C ALA A 10 2.763 9.729 -17.153 1.00 25.00 C ATOM 128 O ALA A 10 2.473 10.116 -16.007 1.00 25.00 O ATOM 129 CB ALA A 10 1.053 10.360 -18.918 1.00 25.00 C ATOM 0 H ALA A 10 -0.233 9.047 -17.261 1.00 25.00 H new ATOM 0 HA ALA A 10 2.101 8.507 -18.820 1.00 25.00 H new ATOM 0 HB1 ALA A 10 1.822 10.830 -19.531 1.00 25.00 H new ATOM 0 HB2 ALA A 10 0.267 9.966 -19.562 1.00 25.00 H new ATOM 0 HB3 ALA A 10 0.629 11.099 -18.238 1.00 25.00 H new ATOM 135 N ASP A 11 3.992 9.752 -17.625 1.00 25.00 N ATOM 136 CA ASP A 11 5.114 10.247 -16.840 1.00 25.00 C ATOM 137 C ASP A 11 4.958 11.751 -16.646 1.00 25.00 C ATOM 138 O ASP A 11 4.471 12.460 -17.533 1.00 25.00 O ATOM 139 CB ASP A 11 6.458 9.935 -17.524 1.00 25.00 C ATOM 140 CG ASP A 11 6.897 8.476 -17.335 1.00 25.00 C ATOM 141 OD1 ASP A 11 8.092 8.198 -17.527 1.00 25.00 O ATOM 142 OD2 ASP A 11 6.058 7.611 -16.979 1.00 25.00 O ATOM 0 H ASP A 11 4.245 9.430 -18.559 1.00 25.00 H new ATOM 0 HA ASP A 11 5.114 9.745 -15.872 1.00 25.00 H new ATOM 0 HB2 ASP A 11 6.377 10.150 -18.589 1.00 25.00 H new ATOM 0 HB3 ASP A 11 7.227 10.596 -17.123 1.00 25.00 H new ATOM 147 N GLY A 12 5.359 12.242 -15.478 1.00 25.00 N ATOM 148 CA GLY A 12 5.190 13.657 -15.165 1.00 25.00 C ATOM 149 C GLY A 12 4.804 13.817 -13.709 1.00 25.00 C ATOM 150 O GLY A 12 4.735 12.821 -12.970 1.00 25.00 O ATOM 0 H GLY A 12 5.798 11.690 -14.741 1.00 25.00 H new ATOM 0 HA2 GLY A 12 6.115 14.197 -15.367 1.00 25.00 H new ATOM 0 HA3 GLY A 12 4.421 14.091 -15.804 1.00 25.00 H new ATOM 154 N LEU A 13 4.555 15.044 -13.279 1.00 25.00 N ATOM 155 CA LEU A 13 4.175 15.284 -11.887 1.00 25.00 C ATOM 156 C LEU A 13 2.669 15.384 -11.715 1.00 25.00 C ATOM 157 O LEU A 13 1.937 15.831 -12.594 1.00 25.00 O ATOM 158 CB LEU A 13 4.799 16.595 -11.387 1.00 25.00 C ATOM 159 CG LEU A 13 6.332 16.766 -11.372 1.00 25.00 C ATOM 160 CD1 LEU A 13 6.657 18.029 -10.572 1.00 25.00 C ATOM 161 CD2 LEU A 13 7.046 15.587 -10.759 1.00 25.00 C ATOM 0 H LEU A 13 4.607 15.881 -13.860 1.00 25.00 H new ATOM 0 HA LEU A 13 4.541 14.434 -11.310 1.00 25.00 H new ATOM 0 HB2 LEU A 13 4.389 17.401 -11.996 1.00 25.00 H new ATOM 0 HB3 LEU A 13 4.446 16.754 -10.368 1.00 25.00 H new ATOM 0 HG LEU A 13 6.677 16.841 -12.403 1.00 25.00 H new ATOM 0 HD11 LEU A 13 7.737 18.175 -10.545 1.00 25.00 H new ATOM 0 HD12 LEU A 13 6.186 18.891 -11.045 1.00 25.00 H new ATOM 0 HD13 LEU A 13 6.280 17.923 -9.555 1.00 25.00 H new ATOM 0 HD21 LEU A 13 8.121 15.764 -10.776 1.00 25.00 H new ATOM 0 HD22 LEU A 13 6.716 15.457 -9.728 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.817 14.687 -11.329 1.00 25.00 H new ATOM 173 N TYR A 14 2.218 15.019 -10.521 1.00 25.00 N ATOM 174 CA TYR A 14 0.808 15.090 -10.145 1.00 25.00 C ATOM 175 C TYR A 14 0.657 15.770 -8.767 1.00 25.00 C ATOM 176 O TYR A 14 1.607 15.763 -7.953 1.00 25.00 O ATOM 177 CB TYR A 14 0.212 13.673 -10.137 1.00 25.00 C ATOM 178 CG TYR A 14 0.175 13.036 -11.518 1.00 25.00 C ATOM 179 CD1 TYR A 14 1.296 12.360 -12.015 1.00 25.00 C ATOM 180 CD2 TYR A 14 -0.969 13.154 -12.340 1.00 25.00 C ATOM 181 CE1 TYR A 14 1.286 11.804 -13.315 1.00 25.00 C ATOM 182 CE2 TYR A 14 -0.982 12.591 -13.640 1.00 25.00 C ATOM 183 CZ TYR A 14 0.149 11.912 -14.114 1.00 25.00 C ATOM 184 OH TYR A 14 0.166 11.365 -15.360 1.00 25.00 O ATOM 0 H TYR A 14 2.823 14.663 -9.781 1.00 25.00 H new ATOM 0 HA TYR A 14 0.263 15.692 -10.872 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.797 13.042 -9.468 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -0.800 13.713 -9.734 1.00 25.00 H new ATOM 0 HD1 TYR A 14 2.178 12.262 -11.399 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -1.840 13.677 -11.974 1.00 25.00 H new ATOM 0 HE1 TYR A 14 2.161 11.294 -13.690 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -1.859 12.685 -14.263 1.00 25.00 H new ATOM 0 HH TYR A 14 1.032 10.935 -15.517 1.00 25.00 H new ATOM 194 N PRO A 15 -0.508 16.407 -8.501 1.00 25.00 N ATOM 195 CA PRO A 15 -0.603 17.166 -7.237 1.00 25.00 C ATOM 196 C PRO A 15 -0.707 16.336 -5.962 1.00 25.00 C ATOM 197 O PRO A 15 -1.304 15.265 -5.934 1.00 25.00 O ATOM 198 CB PRO A 15 -1.883 17.999 -7.438 1.00 25.00 C ATOM 199 CG PRO A 15 -2.716 17.146 -8.326 1.00 25.00 C ATOM 200 CD PRO A 15 -1.741 16.561 -9.306 1.00 25.00 C ATOM 0 HA PRO A 15 0.313 17.733 -7.073 1.00 25.00 H new ATOM 0 HB2 PRO A 15 -2.383 18.201 -6.491 1.00 25.00 H new ATOM 0 HB3 PRO A 15 -1.666 18.964 -7.896 1.00 25.00 H new ATOM 0 HG2 PRO A 15 -3.228 16.366 -7.762 1.00 25.00 H new ATOM 0 HG3 PRO A 15 -3.485 17.731 -8.831 1.00 25.00 H new ATOM 0 HD2 PRO A 15 -2.088 15.605 -9.698 1.00 25.00 H new ATOM 0 HD3 PRO A 15 -1.585 17.219 -10.161 1.00 25.00 H new ATOM 208 N ASN A 16 -0.073 16.835 -4.924 1.00 25.00 N ATOM 209 CA ASN A 16 -0.016 16.180 -3.632 1.00 25.00 C ATOM 210 C ASN A 16 -1.216 16.589 -2.731 1.00 25.00 C ATOM 211 O ASN A 16 -1.849 17.624 -2.960 1.00 25.00 O ATOM 212 CB ASN A 16 1.307 16.605 -2.977 1.00 25.00 C ATOM 213 CG ASN A 16 1.309 18.061 -2.587 1.00 25.00 C ATOM 214 OD1 ASN A 16 1.016 18.939 -3.376 1.00 25.00 O ATOM 215 ND2 ASN A 16 1.648 18.316 -1.376 1.00 25.00 N ATOM 0 H ASN A 16 0.427 17.724 -4.953 1.00 25.00 H new ATOM 0 HA ASN A 16 -0.071 15.099 -3.757 1.00 25.00 H new ATOM 0 HB2 ASN A 16 1.485 15.994 -2.092 1.00 25.00 H new ATOM 0 HB3 ASN A 16 2.129 16.415 -3.667 1.00 25.00 H new ATOM 0 HD21 ASN A 16 1.678 19.281 -1.047 1.00 25.00 H new ATOM 0 HD22 ASN A 16 1.887 17.554 -0.742 1.00 25.00 H new ATOM 222 N PRO A 17 -1.555 15.769 -1.709 1.00 25.00 N ATOM 223 CA PRO A 17 -2.727 16.060 -0.861 1.00 25.00 C ATOM 224 C PRO A 17 -2.554 16.986 0.355 1.00 25.00 C ATOM 225 O PRO A 17 -3.555 17.432 0.909 1.00 25.00 O ATOM 226 CB PRO A 17 -3.066 14.674 -0.310 1.00 25.00 C ATOM 227 CG PRO A 17 -1.732 14.048 -0.128 1.00 25.00 C ATOM 228 CD PRO A 17 -0.937 14.483 -1.331 1.00 25.00 C ATOM 0 HA PRO A 17 -3.455 16.593 -1.473 1.00 25.00 H new ATOM 0 HB2 PRO A 17 -3.613 14.737 0.631 1.00 25.00 H new ATOM 0 HB3 PRO A 17 -3.687 14.106 -1.003 1.00 25.00 H new ATOM 0 HG2 PRO A 17 -1.262 14.380 0.798 1.00 25.00 H new ATOM 0 HG3 PRO A 17 -1.808 12.962 -0.076 1.00 25.00 H new ATOM 0 HD2 PRO A 17 0.120 14.601 -1.092 1.00 25.00 H new ATOM 0 HD3 PRO A 17 -1.001 13.754 -2.139 1.00 25.00 H new ATOM 236 N ARG A 18 -1.327 17.199 0.839 1.00 25.00 N ATOM 237 CA ARG A 18 -1.119 17.948 2.104 1.00 25.00 C ATOM 238 C ARG A 18 -0.030 19.029 2.106 1.00 25.00 C ATOM 239 O ARG A 18 -0.304 20.156 2.478 1.00 25.00 O ATOM 240 CB ARG A 18 -0.821 16.972 3.258 1.00 25.00 C ATOM 241 CG ARG A 18 -1.996 16.078 3.660 1.00 25.00 C ATOM 242 CD ARG A 18 -1.565 15.067 4.691 1.00 25.00 C ATOM 243 NE ARG A 18 -2.659 14.126 5.016 1.00 25.00 N ATOM 244 CZ ARG A 18 -3.572 14.305 5.971 1.00 25.00 C ATOM 245 NH1 ARG A 18 -4.481 13.396 6.154 1.00 25.00 N ATOM 246 NH2 ARG A 18 -3.597 15.371 6.744 1.00 25.00 N ATOM 0 H ARG A 18 -0.470 16.874 0.391 1.00 25.00 H new ATOM 0 HA ARG A 18 -2.060 18.483 2.229 1.00 25.00 H new ATOM 0 HB2 ARG A 18 0.019 16.338 2.972 1.00 25.00 H new ATOM 0 HB3 ARG A 18 -0.505 17.546 4.129 1.00 25.00 H new ATOM 0 HG2 ARG A 18 -2.805 16.690 4.059 1.00 25.00 H new ATOM 0 HG3 ARG A 18 -2.387 15.565 2.781 1.00 25.00 H new ATOM 0 HD2 ARG A 18 -0.704 14.511 4.320 1.00 25.00 H new ATOM 0 HD3 ARG A 18 -1.246 15.583 5.597 1.00 25.00 H new ATOM 0 HE ARG A 18 -2.720 13.270 4.464 1.00 25.00 H new ATOM 0 HH11 ARG A 18 -4.490 12.559 5.571 1.00 25.00 H new ATOM 0 HH12 ARG A 18 -5.186 13.519 6.881 1.00 25.00 H new ATOM 0 HH21 ARG A 18 -2.898 16.104 6.625 1.00 25.00 H new ATOM 0 HH22 ARG A 18 -4.316 15.464 7.462 1.00 25.00 H new ATOM 260 N GLU A 19 1.213 18.647 1.836 1.00 25.00 N ATOM 261 CA GLU A 19 2.344 19.548 2.071 1.00 25.00 C ATOM 262 C GLU A 19 2.418 20.727 1.116 1.00 25.00 C ATOM 263 O GLU A 19 1.828 20.727 0.050 1.00 25.00 O ATOM 264 CB GLU A 19 3.660 18.767 2.023 1.00 25.00 C ATOM 265 CG GLU A 19 3.709 17.587 2.994 1.00 25.00 C ATOM 266 CD GLU A 19 3.326 17.988 4.403 1.00 25.00 C ATOM 267 OE1 GLU A 19 2.413 17.339 4.965 1.00 25.00 O ATOM 268 OE2 GLU A 19 3.888 18.976 4.932 1.00 25.00 O ATOM 0 H GLU A 19 1.465 17.733 1.459 1.00 25.00 H new ATOM 0 HA GLU A 19 2.179 19.970 3.063 1.00 25.00 H new ATOM 0 HB2 GLU A 19 3.817 18.399 1.009 1.00 25.00 H new ATOM 0 HB3 GLU A 19 4.483 19.445 2.247 1.00 25.00 H new ATOM 0 HG2 GLU A 19 3.036 16.804 2.645 1.00 25.00 H new ATOM 0 HG3 GLU A 19 4.714 17.164 2.999 1.00 25.00 H new ATOM 275 N ARG A 20 3.165 21.743 1.511 1.00 25.00 N ATOM 276 CA ARG A 20 3.273 22.981 0.732 1.00 25.00 C ATOM 277 C ARG A 20 3.928 22.844 -0.637 1.00 25.00 C ATOM 278 O ARG A 20 3.499 23.478 -1.587 1.00 25.00 O ATOM 279 CB ARG A 20 4.017 24.034 1.563 1.00 25.00 C ATOM 280 CG ARG A 20 3.966 25.452 0.991 1.00 25.00 C ATOM 281 CD ARG A 20 2.520 25.950 0.835 1.00 25.00 C ATOM 282 NE ARG A 20 2.416 27.402 0.959 1.00 25.00 N ATOM 283 CZ ARG A 20 2.249 28.067 2.101 1.00 25.00 C ATOM 284 NH1 ARG A 20 2.147 27.471 3.263 1.00 25.00 N ATOM 285 NH2 ARG A 20 2.188 29.371 2.080 1.00 25.00 N ATOM 0 H ARG A 20 3.712 21.742 2.372 1.00 25.00 H new ATOM 0 HA ARG A 20 2.247 23.283 0.519 1.00 25.00 H new ATOM 0 HB2 ARG A 20 3.597 24.047 2.569 1.00 25.00 H new ATOM 0 HB3 ARG A 20 5.060 23.732 1.657 1.00 25.00 H new ATOM 0 HG2 ARG A 20 4.515 26.129 1.646 1.00 25.00 H new ATOM 0 HG3 ARG A 20 4.464 25.472 0.022 1.00 25.00 H new ATOM 0 HD2 ARG A 20 2.135 25.642 -0.137 1.00 25.00 H new ATOM 0 HD3 ARG A 20 1.892 25.477 1.590 1.00 25.00 H new ATOM 0 HE ARG A 20 2.476 27.951 0.101 1.00 25.00 H new ATOM 0 HH11 ARG A 20 2.195 26.454 3.320 1.00 25.00 H new ATOM 0 HH12 ARG A 20 2.020 28.024 4.110 1.00 25.00 H new ATOM 0 HH21 ARG A 20 2.268 29.871 1.195 1.00 25.00 H new ATOM 0 HH22 ARG A 20 2.060 29.890 2.949 1.00 25.00 H new ATOM 299 N SER A 21 5.003 22.075 -0.730 1.00 25.00 N ATOM 300 CA SER A 21 5.786 21.985 -1.973 1.00 25.00 C ATOM 301 C SER A 21 6.080 20.579 -2.480 1.00 25.00 C ATOM 302 O SER A 21 6.817 20.416 -3.441 1.00 25.00 O ATOM 303 CB SER A 21 7.121 22.702 -1.744 1.00 25.00 C ATOM 304 OG SER A 21 6.914 24.016 -1.234 1.00 25.00 O ATOM 0 H SER A 21 5.360 21.502 0.034 1.00 25.00 H new ATOM 0 HA SER A 21 5.166 22.444 -2.743 1.00 25.00 H new ATOM 0 HB2 SER A 21 7.731 22.129 -1.045 1.00 25.00 H new ATOM 0 HB3 SER A 21 7.675 22.755 -2.681 1.00 25.00 H new ATOM 0 HG SER A 21 7.078 24.672 -1.943 1.00 25.00 H new ATOM 310 N SER A 22 5.567 19.547 -1.825 1.00 25.00 N ATOM 311 CA SER A 22 5.860 18.178 -2.277 1.00 25.00 C ATOM 312 C SER A 22 5.011 17.835 -3.492 1.00 25.00 C ATOM 313 O SER A 22 4.042 18.511 -3.764 1.00 25.00 O ATOM 314 CB SER A 22 5.550 17.182 -1.180 1.00 25.00 C ATOM 315 OG SER A 22 4.165 17.137 -0.949 1.00 25.00 O ATOM 0 H SER A 22 4.965 19.616 -1.005 1.00 25.00 H new ATOM 0 HA SER A 22 6.918 18.126 -2.534 1.00 25.00 H new ATOM 0 HB2 SER A 22 5.912 16.193 -1.462 1.00 25.00 H new ATOM 0 HB3 SER A 22 6.071 17.463 -0.265 1.00 25.00 H new ATOM 0 HG SER A 22 3.973 16.489 -0.239 1.00 25.00 H new ATOM 321 N PHE A 23 5.355 16.773 -4.198 1.00 25.00 N ATOM 322 CA PHE A 23 4.583 16.329 -5.354 1.00 25.00 C ATOM 323 C PHE A 23 4.658 14.823 -5.515 1.00 25.00 C ATOM 324 O PHE A 23 5.507 14.142 -4.937 1.00 25.00 O ATOM 325 CB PHE A 23 5.086 17.003 -6.634 1.00 25.00 C ATOM 326 CG PHE A 23 6.572 16.844 -6.874 1.00 25.00 C ATOM 327 CD1 PHE A 23 7.423 17.924 -6.658 1.00 25.00 C ATOM 328 CD2 PHE A 23 7.124 15.622 -7.320 1.00 25.00 C ATOM 329 CE1 PHE A 23 8.816 17.823 -6.882 1.00 25.00 C ATOM 330 CE2 PHE A 23 8.521 15.491 -7.540 1.00 25.00 C ATOM 331 CZ PHE A 23 9.365 16.597 -7.328 1.00 25.00 C ATOM 0 H PHE A 23 6.170 16.195 -3.992 1.00 25.00 H new ATOM 0 HA PHE A 23 3.545 16.614 -5.183 1.00 25.00 H new ATOM 0 HB2 PHE A 23 4.545 16.590 -7.486 1.00 25.00 H new ATOM 0 HB3 PHE A 23 4.848 18.066 -6.590 1.00 25.00 H new ATOM 0 HD1 PHE A 23 7.011 18.860 -6.312 1.00 25.00 H new ATOM 0 HD2 PHE A 23 6.475 14.777 -7.496 1.00 25.00 H new ATOM 0 HE1 PHE A 23 9.457 18.676 -6.714 1.00 25.00 H new ATOM 0 HE2 PHE A 23 8.933 14.548 -7.868 1.00 25.00 H new ATOM 0 HZ PHE A 23 10.427 16.511 -7.505 1.00 25.00 H new ATOM 341 N TYR A 24 3.810 14.324 -6.383 1.00 25.00 N ATOM 342 CA TYR A 24 3.883 12.928 -6.827 1.00 25.00 C ATOM 343 C TYR A 24 4.553 13.012 -8.178 1.00 25.00 C ATOM 344 O TYR A 24 4.404 14.011 -8.885 1.00 25.00 O ATOM 345 CB TYR A 24 2.504 12.317 -7.069 1.00 25.00 C ATOM 346 CG TYR A 24 1.682 12.040 -5.840 1.00 25.00 C ATOM 347 CD1 TYR A 24 1.949 10.920 -5.024 1.00 25.00 C ATOM 348 CD2 TYR A 24 0.586 12.842 -5.532 1.00 25.00 C ATOM 349 CE1 TYR A 24 1.134 10.622 -3.901 1.00 25.00 C ATOM 350 CE2 TYR A 24 -0.245 12.546 -4.424 1.00 25.00 C ATOM 351 CZ TYR A 24 0.036 11.446 -3.612 1.00 25.00 C ATOM 352 OH TYR A 24 -0.765 11.151 -2.559 1.00 25.00 O ATOM 0 H TYR A 24 3.051 14.859 -6.806 1.00 25.00 H new ATOM 0 HA TYR A 24 4.391 12.321 -6.078 1.00 25.00 H new ATOM 0 HB2 TYR A 24 1.939 12.988 -7.716 1.00 25.00 H new ATOM 0 HB3 TYR A 24 2.633 11.382 -7.614 1.00 25.00 H new ATOM 0 HD1 TYR A 24 2.787 10.280 -5.258 1.00 25.00 H new ATOM 0 HD2 TYR A 24 0.367 13.702 -6.147 1.00 25.00 H new ATOM 0 HE1 TYR A 24 1.357 9.770 -3.276 1.00 25.00 H new ATOM 0 HE2 TYR A 24 -1.098 13.172 -4.207 1.00 25.00 H new ATOM 0 HH TYR A 24 -0.241 10.698 -1.866 1.00 25.00 H new ATOM 362 N SER A 25 5.214 11.951 -8.576 1.00 25.00 N ATOM 363 CA SER A 25 5.833 11.866 -9.878 1.00 25.00 C ATOM 364 C SER A 25 5.608 10.450 -10.379 1.00 25.00 C ATOM 365 O SER A 25 5.527 9.504 -9.588 1.00 25.00 O ATOM 366 CB SER A 25 7.324 12.164 -9.769 1.00 25.00 C ATOM 367 OG SER A 25 7.925 12.201 -11.050 1.00 25.00 O ATOM 0 H SER A 25 5.338 11.117 -8.002 1.00 25.00 H new ATOM 0 HA SER A 25 5.403 12.593 -10.567 1.00 25.00 H new ATOM 0 HB2 SER A 25 7.472 13.119 -9.265 1.00 25.00 H new ATOM 0 HB3 SER A 25 7.808 11.402 -9.157 1.00 25.00 H new ATOM 0 HG SER A 25 8.881 12.395 -10.957 1.00 25.00 H new ATOM 373 N CYS A 26 5.501 10.312 -11.683 1.00 25.00 N ATOM 374 CA CYS A 26 5.369 9.010 -12.312 1.00 25.00 C ATOM 375 C CYS A 26 6.510 8.921 -13.311 1.00 25.00 C ATOM 376 O CYS A 26 6.715 9.856 -14.075 1.00 25.00 O ATOM 377 CB CYS A 26 4.021 8.876 -13.012 1.00 25.00 C ATOM 378 SG CYS A 26 2.718 8.159 -11.926 1.00 25.00 S ATOM 0 H CYS A 26 5.503 11.094 -12.337 1.00 25.00 H new ATOM 0 HA CYS A 26 5.414 8.205 -11.579 1.00 25.00 H new ATOM 0 HB2 CYS A 26 3.698 9.858 -13.359 1.00 25.00 H new ATOM 0 HB3 CYS A 26 4.137 8.248 -13.895 1.00 25.00 H new ATOM 383 N ALA A 27 7.266 7.841 -13.264 1.00 25.00 N ATOM 384 CA ALA A 27 8.380 7.599 -14.189 1.00 25.00 C ATOM 385 C ALA A 27 8.345 6.140 -14.605 1.00 25.00 C ATOM 386 O ALA A 27 8.401 5.259 -13.751 1.00 25.00 O ATOM 387 CB ALA A 27 9.701 7.953 -13.512 1.00 25.00 C ATOM 0 H ALA A 27 7.131 7.095 -12.581 1.00 25.00 H new ATOM 0 HA ALA A 27 8.287 8.225 -15.076 1.00 25.00 H new ATOM 0 HB1 ALA A 27 10.524 7.771 -14.203 1.00 25.00 H new ATOM 0 HB2 ALA A 27 9.693 9.005 -13.226 1.00 25.00 H new ATOM 0 HB3 ALA A 27 9.831 7.336 -12.623 1.00 25.00 H new ATOM 393 N ALA A 28 8.194 5.889 -15.899 1.00 25.00 N ATOM 394 CA ALA A 28 8.032 4.543 -16.445 1.00 25.00 C ATOM 395 C ALA A 28 6.900 3.768 -15.742 1.00 25.00 C ATOM 396 O ALA A 28 6.993 2.551 -15.510 1.00 25.00 O ATOM 397 CB ALA A 28 9.360 3.762 -16.375 1.00 25.00 C ATOM 0 H ALA A 28 8.180 6.621 -16.609 1.00 25.00 H new ATOM 0 HA ALA A 28 7.748 4.649 -17.492 1.00 25.00 H new ATOM 0 HB1 ALA A 28 9.217 2.763 -16.787 1.00 25.00 H new ATOM 0 HB2 ALA A 28 10.121 4.286 -16.952 1.00 25.00 H new ATOM 0 HB3 ALA A 28 9.682 3.684 -15.337 1.00 25.00 H new ATOM 403 N GLY A 29 5.843 4.488 -15.366 1.00 25.00 N ATOM 404 CA GLY A 29 4.716 3.877 -14.671 1.00 25.00 C ATOM 405 C GLY A 29 4.997 3.495 -13.214 1.00 25.00 C ATOM 406 O GLY A 29 4.237 2.725 -12.617 1.00 25.00 O ATOM 0 H GLY A 29 5.746 5.490 -15.531 1.00 25.00 H new ATOM 0 HA2 GLY A 29 3.873 4.568 -14.696 1.00 25.00 H new ATOM 0 HA3 GLY A 29 4.412 2.983 -15.215 1.00 25.00 H new ATOM 410 N ARG A 30 6.084 4.001 -12.644 1.00 25.00 N ATOM 411 CA ARG A 30 6.465 3.712 -11.258 1.00 25.00 C ATOM 412 C ARG A 30 6.256 4.964 -10.446 1.00 25.00 C ATOM 413 O ARG A 30 6.470 6.055 -10.934 1.00 25.00 O ATOM 414 CB ARG A 30 7.942 3.259 -11.178 1.00 25.00 C ATOM 415 CG ARG A 30 8.355 2.212 -12.226 1.00 25.00 C ATOM 416 CD ARG A 30 7.530 0.946 -12.142 1.00 25.00 C ATOM 417 NE ARG A 30 7.689 0.153 -13.368 1.00 25.00 N ATOM 418 CZ ARG A 30 7.040 -0.964 -13.652 1.00 25.00 C ATOM 419 NH1 ARG A 30 7.272 -1.549 -14.794 1.00 25.00 N ATOM 420 NH2 ARG A 30 6.152 -1.501 -12.843 1.00 25.00 N ATOM 0 H ARG A 30 6.730 4.625 -13.127 1.00 25.00 H new ATOM 0 HA ARG A 30 5.851 2.901 -10.867 1.00 25.00 H new ATOM 0 HB2 ARG A 30 8.582 4.134 -11.288 1.00 25.00 H new ATOM 0 HB3 ARG A 30 8.129 2.851 -10.185 1.00 25.00 H new ATOM 0 HG2 ARG A 30 8.254 2.642 -13.223 1.00 25.00 H new ATOM 0 HG3 ARG A 30 9.408 1.964 -12.091 1.00 25.00 H new ATOM 0 HD2 ARG A 30 7.840 0.358 -11.278 1.00 25.00 H new ATOM 0 HD3 ARG A 30 6.479 1.197 -11.997 1.00 25.00 H new ATOM 0 HE ARG A 30 8.357 0.493 -14.060 1.00 25.00 H new ATOM 0 HH11 ARG A 30 7.943 -1.144 -15.447 1.00 25.00 H new ATOM 0 HH12 ARG A 30 6.783 -2.411 -15.034 1.00 25.00 H new ATOM 0 HH21 ARG A 30 5.938 -1.054 -11.952 1.00 25.00 H new ATOM 0 HH22 ARG A 30 5.678 -2.364 -13.107 1.00 25.00 H new ATOM 434 N LEU A 31 5.824 4.784 -9.203 1.00 25.00 N ATOM 435 CA LEU A 31 5.553 5.919 -8.325 1.00 25.00 C ATOM 436 C LEU A 31 6.814 6.498 -7.711 1.00 25.00 C ATOM 437 O LEU A 31 7.660 5.785 -7.179 1.00 25.00 O ATOM 438 CB LEU A 31 4.628 5.488 -7.173 1.00 25.00 C ATOM 439 CG LEU A 31 3.399 6.370 -6.875 1.00 25.00 C ATOM 440 CD1 LEU A 31 2.895 6.010 -5.489 1.00 25.00 C ATOM 441 CD2 LEU A 31 3.666 7.884 -6.927 1.00 25.00 C ATOM 0 H LEU A 31 5.655 3.871 -8.782 1.00 25.00 H new ATOM 0 HA LEU A 31 5.084 6.681 -8.948 1.00 25.00 H new ATOM 0 HB2 LEU A 31 4.274 4.479 -7.386 1.00 25.00 H new ATOM 0 HB3 LEU A 31 5.228 5.430 -6.265 1.00 25.00 H new ATOM 0 HG LEU A 31 2.669 6.170 -7.659 1.00 25.00 H new ATOM 0 HD11 LEU A 31 2.024 6.619 -5.249 1.00 25.00 H new ATOM 0 HD12 LEU A 31 2.619 4.956 -5.465 1.00 25.00 H new ATOM 0 HD13 LEU A 31 3.680 6.196 -4.757 1.00 25.00 H new ATOM 0 HD21 LEU A 31 2.745 8.424 -6.705 1.00 25.00 H new ATOM 0 HD22 LEU A 31 4.426 8.145 -6.191 1.00 25.00 H new ATOM 0 HD23 LEU A 31 4.016 8.158 -7.922 1.00 25.00 H new ATOM 453 N PHE A 32 6.862 7.821 -7.686 1.00 25.00 N ATOM 454 CA PHE A 32 7.821 8.562 -6.903 1.00 25.00 C ATOM 455 C PHE A 32 7.028 9.574 -6.104 1.00 25.00 C ATOM 456 O PHE A 32 6.075 10.172 -6.604 1.00 25.00 O ATOM 457 CB PHE A 32 8.845 9.240 -7.810 1.00 25.00 C ATOM 458 CG PHE A 32 10.075 8.412 -8.034 1.00 25.00 C ATOM 459 CD1 PHE A 32 10.102 7.443 -9.042 1.00 25.00 C ATOM 460 CD2 PHE A 32 11.202 8.583 -7.221 1.00 25.00 C ATOM 461 CE1 PHE A 32 11.251 6.634 -9.231 1.00 25.00 C ATOM 462 CE2 PHE A 32 12.361 7.784 -7.422 1.00 25.00 C ATOM 463 CZ PHE A 32 12.380 6.815 -8.427 1.00 25.00 C ATOM 0 H PHE A 32 6.224 8.412 -8.219 1.00 25.00 H new ATOM 0 HA PHE A 32 8.386 7.908 -6.239 1.00 25.00 H new ATOM 0 HB2 PHE A 32 8.381 9.458 -8.772 1.00 25.00 H new ATOM 0 HB3 PHE A 32 9.133 10.196 -7.372 1.00 25.00 H new ATOM 0 HD1 PHE A 32 9.242 7.310 -9.681 1.00 25.00 H new ATOM 0 HD2 PHE A 32 11.191 9.326 -6.437 1.00 25.00 H new ATOM 0 HE1 PHE A 32 11.254 5.875 -9.999 1.00 25.00 H new ATOM 0 HE2 PHE A 32 13.229 7.927 -6.795 1.00 25.00 H new ATOM 0 HZ PHE A 32 13.261 6.210 -8.582 1.00 25.00 H new ATOM 473 N GLN A 33 7.370 9.707 -4.838 1.00 25.00 N ATOM 474 CA GLN A 33 6.735 10.680 -3.959 1.00 25.00 C ATOM 475 C GLN A 33 7.902 11.491 -3.407 1.00 25.00 C ATOM 476 O GLN A 33 8.795 10.911 -2.773 1.00 25.00 O ATOM 477 CB GLN A 33 5.965 9.975 -2.840 1.00 25.00 C ATOM 478 CG GLN A 33 4.703 9.242 -3.321 1.00 25.00 C ATOM 479 CD GLN A 33 4.351 8.072 -2.436 1.00 25.00 C ATOM 480 OE1 GLN A 33 5.035 7.053 -2.433 1.00 25.00 O ATOM 481 NE2 GLN A 33 3.265 8.192 -1.701 1.00 25.00 N ATOM 0 H GLN A 33 8.093 9.147 -4.387 1.00 25.00 H new ATOM 0 HA GLN A 33 6.004 11.305 -4.472 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.626 9.259 -2.352 1.00 25.00 H new ATOM 0 HB3 GLN A 33 5.682 10.711 -2.087 1.00 25.00 H new ATOM 0 HG2 GLN A 33 3.867 9.941 -3.346 1.00 25.00 H new ATOM 0 HG3 GLN A 33 4.856 8.890 -4.341 1.00 25.00 H new ATOM 0 HE21 GLN A 33 2.722 9.055 -1.730 1.00 25.00 H new ATOM 0 HE22 GLN A 33 2.967 7.422 -1.102 1.00 25.00 H new ATOM 490 N GLN A 34 7.993 12.758 -3.765 1.00 25.00 N ATOM 491 CA GLN A 34 9.189 13.543 -3.458 1.00 25.00 C ATOM 492 C GLN A 34 8.828 14.933 -2.961 1.00 25.00 C ATOM 493 O GLN A 34 7.711 15.413 -3.168 1.00 25.00 O ATOM 494 CB GLN A 34 10.068 13.674 -4.708 1.00 25.00 C ATOM 495 CG GLN A 34 10.545 12.340 -5.294 1.00 25.00 C ATOM 496 CD GLN A 34 11.394 12.539 -6.556 1.00 25.00 C ATOM 497 OE1 GLN A 34 10.942 13.116 -7.528 1.00 25.00 O ATOM 498 NE2 GLN A 34 12.625 12.096 -6.521 1.00 25.00 N ATOM 0 H GLN A 34 7.264 13.268 -4.264 1.00 25.00 H new ATOM 0 HA GLN A 34 9.732 13.020 -2.671 1.00 25.00 H new ATOM 0 HB2 GLN A 34 9.510 14.214 -5.474 1.00 25.00 H new ATOM 0 HB3 GLN A 34 10.940 14.280 -4.462 1.00 25.00 H new ATOM 0 HG2 GLN A 34 11.128 11.803 -4.546 1.00 25.00 H new ATOM 0 HG3 GLN A 34 9.682 11.719 -5.532 1.00 25.00 H new ATOM 0 HE21 GLN A 34 12.971 11.617 -5.690 1.00 25.00 H new ATOM 0 HE22 GLN A 34 13.238 12.230 -7.325 1.00 25.00 H new ATOM 507 N SER A 35 9.789 15.592 -2.324 1.00 25.00 N ATOM 508 CA SER A 35 9.609 16.958 -1.863 1.00 25.00 C ATOM 509 C SER A 35 10.443 17.895 -2.734 1.00 25.00 C ATOM 510 O SER A 35 11.494 17.509 -3.229 1.00 25.00 O ATOM 511 CB SER A 35 10.060 17.052 -0.411 1.00 25.00 C ATOM 512 OG SER A 35 11.331 16.463 -0.245 1.00 25.00 O ATOM 0 H SER A 35 10.706 15.197 -2.115 1.00 25.00 H new ATOM 0 HA SER A 35 8.560 17.246 -1.934 1.00 25.00 H new ATOM 0 HB2 SER A 35 10.095 18.097 -0.103 1.00 25.00 H new ATOM 0 HB3 SER A 35 9.336 16.553 0.233 1.00 25.00 H new ATOM 0 HG SER A 35 11.605 16.534 0.693 1.00 25.00 H new ATOM 518 N CYS A 36 9.967 19.115 -2.886 1.00 25.00 N ATOM 519 CA CYS A 36 10.686 20.158 -3.599 1.00 25.00 C ATOM 520 C CYS A 36 11.187 21.077 -2.472 1.00 25.00 C ATOM 521 O CYS A 36 10.381 21.521 -1.653 1.00 25.00 O ATOM 522 CB CYS A 36 9.726 20.895 -4.529 1.00 25.00 C ATOM 523 SG CYS A 36 10.354 21.160 -6.201 1.00 25.00 S ATOM 0 H CYS A 36 9.065 19.415 -2.517 1.00 25.00 H new ATOM 0 HA CYS A 36 11.499 19.788 -4.224 1.00 25.00 H new ATOM 0 HB2 CYS A 36 8.795 20.331 -4.590 1.00 25.00 H new ATOM 0 HB3 CYS A 36 9.485 21.862 -4.088 1.00 25.00 H new ATOM 528 N PRO A 37 12.504 21.286 -2.340 1.00 25.00 N ATOM 529 CA PRO A 37 12.969 21.887 -1.087 1.00 25.00 C ATOM 530 C PRO A 37 12.741 23.395 -0.875 1.00 25.00 C ATOM 531 O PRO A 37 11.813 23.785 -0.166 1.00 25.00 O ATOM 532 CB PRO A 37 14.462 21.518 -1.067 1.00 25.00 C ATOM 533 CG PRO A 37 14.842 21.434 -2.514 1.00 25.00 C ATOM 534 CD PRO A 37 13.632 20.829 -3.183 1.00 25.00 C ATOM 0 HA PRO A 37 12.375 21.500 -0.259 1.00 25.00 H new ATOM 0 HB2 PRO A 37 15.051 22.272 -0.544 1.00 25.00 H new ATOM 0 HB3 PRO A 37 14.631 20.570 -0.556 1.00 25.00 H new ATOM 0 HG2 PRO A 37 15.072 22.418 -2.923 1.00 25.00 H new ATOM 0 HG3 PRO A 37 15.727 20.814 -2.657 1.00 25.00 H new ATOM 0 HD2 PRO A 37 13.529 21.173 -4.212 1.00 25.00 H new ATOM 0 HD3 PRO A 37 13.694 19.741 -3.215 1.00 25.00 H new ATOM 542 N THR A 38 13.631 24.236 -1.371 1.00 25.00 N ATOM 543 CA THR A 38 13.608 25.659 -1.022 1.00 25.00 C ATOM 544 C THR A 38 12.919 26.581 -2.026 1.00 25.00 C ATOM 545 O THR A 38 13.413 26.795 -3.122 1.00 25.00 O ATOM 546 CB THR A 38 15.022 26.141 -0.809 1.00 25.00 C ATOM 547 OG1 THR A 38 15.740 25.169 -0.041 1.00 25.00 O ATOM 548 CG2 THR A 38 15.068 27.468 -0.054 1.00 25.00 C ATOM 0 H THR A 38 14.377 23.968 -2.013 1.00 25.00 H new ATOM 0 HA THR A 38 13.005 25.717 -0.116 1.00 25.00 H new ATOM 0 HB THR A 38 15.470 26.284 -1.792 1.00 25.00 H new ATOM 0 HG1 THR A 38 16.660 25.477 0.099 1.00 25.00 H new ATOM 0 HG21 THR A 38 16.105 27.777 0.077 1.00 25.00 H new ATOM 0 HG22 THR A 38 14.532 28.228 -0.622 1.00 25.00 H new ATOM 0 HG23 THR A 38 14.600 27.347 0.923 1.00 25.00 H new ATOM 556 N GLY A 39 11.818 27.193 -1.615 1.00 25.00 N ATOM 557 CA GLY A 39 11.220 28.244 -2.430 1.00 25.00 C ATOM 558 C GLY A 39 10.492 27.795 -3.684 1.00 25.00 C ATOM 559 O GLY A 39 10.415 28.561 -4.632 1.00 25.00 O ATOM 0 H GLY A 39 11.329 26.988 -0.744 1.00 25.00 H new ATOM 0 HA2 GLY A 39 10.518 28.800 -1.809 1.00 25.00 H new ATOM 0 HA3 GLY A 39 12.007 28.939 -2.722 1.00 25.00 H new ATOM 563 N LEU A 40 9.981 26.571 -3.705 1.00 25.00 N ATOM 564 CA LEU A 40 9.254 26.069 -4.874 1.00 25.00 C ATOM 565 C LEU A 40 7.785 25.791 -4.539 1.00 25.00 C ATOM 566 O LEU A 40 7.423 25.635 -3.373 1.00 25.00 O ATOM 567 CB LEU A 40 9.884 24.771 -5.412 1.00 25.00 C ATOM 568 CG LEU A 40 11.305 24.694 -6.017 1.00 25.00 C ATOM 569 CD1 LEU A 40 11.733 25.987 -6.694 1.00 25.00 C ATOM 570 CD2 LEU A 40 12.309 24.254 -4.940 1.00 25.00 C ATOM 0 H LEU A 40 10.053 25.908 -2.934 1.00 25.00 H new ATOM 0 HA LEU A 40 9.315 26.847 -5.635 1.00 25.00 H new ATOM 0 HB2 LEU A 40 9.863 24.057 -4.589 1.00 25.00 H new ATOM 0 HB3 LEU A 40 9.205 24.396 -6.177 1.00 25.00 H new ATOM 0 HG LEU A 40 11.286 23.944 -6.808 1.00 25.00 H new ATOM 0 HD11 LEU A 40 12.738 25.870 -7.099 1.00 25.00 H new ATOM 0 HD12 LEU A 40 11.041 26.220 -7.503 1.00 25.00 H new ATOM 0 HD13 LEU A 40 11.727 26.798 -5.966 1.00 25.00 H new ATOM 0 HD21 LEU A 40 13.308 24.202 -5.373 1.00 25.00 H new ATOM 0 HD22 LEU A 40 12.305 24.975 -4.123 1.00 25.00 H new ATOM 0 HD23 LEU A 40 12.027 23.272 -4.559 1.00 25.00 H new ATOM 582 N VAL A 41 6.985 25.700 -5.594 1.00 25.00 N ATOM 583 CA VAL A 41 5.560 25.335 -5.539 1.00 25.00 C ATOM 584 C VAL A 41 5.306 24.399 -6.711 1.00 25.00 C ATOM 585 O VAL A 41 6.176 24.245 -7.557 1.00 25.00 O ATOM 586 CB VAL A 41 4.630 26.586 -5.676 1.00 25.00 C ATOM 587 CG1 VAL A 41 4.793 27.509 -4.455 1.00 25.00 C ATOM 588 CG2 VAL A 41 4.927 27.362 -6.989 1.00 25.00 C ATOM 0 H VAL A 41 7.312 25.882 -6.543 1.00 25.00 H new ATOM 0 HA VAL A 41 5.338 24.871 -4.578 1.00 25.00 H new ATOM 0 HB VAL A 41 3.598 26.239 -5.717 1.00 25.00 H new ATOM 0 HG11 VAL A 41 4.140 28.375 -4.564 1.00 25.00 H new ATOM 0 HG12 VAL A 41 4.526 26.965 -3.549 1.00 25.00 H new ATOM 0 HG13 VAL A 41 5.829 27.842 -4.386 1.00 25.00 H new ATOM 0 HG21 VAL A 41 4.266 28.226 -7.058 1.00 25.00 H new ATOM 0 HG22 VAL A 41 5.964 27.697 -6.987 1.00 25.00 H new ATOM 0 HG23 VAL A 41 4.759 26.708 -7.844 1.00 25.00 H new ATOM 598 N PHE A 42 4.138 23.782 -6.796 1.00 25.00 N ATOM 599 CA PHE A 42 3.835 22.915 -7.945 1.00 25.00 C ATOM 600 C PHE A 42 2.930 23.655 -8.936 1.00 25.00 C ATOM 601 O PHE A 42 1.962 24.307 -8.541 1.00 25.00 O ATOM 602 CB PHE A 42 3.148 21.635 -7.471 1.00 25.00 C ATOM 603 CG PHE A 42 2.736 20.735 -8.595 1.00 25.00 C ATOM 604 CD1 PHE A 42 3.676 20.392 -9.588 1.00 25.00 C ATOM 605 CD2 PHE A 42 1.420 20.245 -8.696 1.00 25.00 C ATOM 606 CE1 PHE A 42 3.316 19.580 -10.674 1.00 25.00 C ATOM 607 CE2 PHE A 42 1.048 19.411 -9.778 1.00 25.00 C ATOM 608 CZ PHE A 42 1.998 19.073 -10.768 1.00 25.00 C ATOM 0 H PHE A 42 3.392 23.856 -6.104 1.00 25.00 H new ATOM 0 HA PHE A 42 4.769 22.652 -8.443 1.00 25.00 H new ATOM 0 HB2 PHE A 42 3.822 21.093 -6.808 1.00 25.00 H new ATOM 0 HB3 PHE A 42 2.268 21.899 -6.884 1.00 25.00 H new ATOM 0 HD1 PHE A 42 4.689 20.760 -9.512 1.00 25.00 H new ATOM 0 HD2 PHE A 42 0.690 20.507 -7.944 1.00 25.00 H new ATOM 0 HE1 PHE A 42 4.043 19.342 -11.437 1.00 25.00 H new ATOM 0 HE2 PHE A 42 0.039 19.033 -9.847 1.00 25.00 H new ATOM 0 HZ PHE A 42 1.720 18.432 -11.591 1.00 25.00 H new ATOM 618 N SER A 43 3.229 23.514 -10.220 1.00 25.00 N ATOM 619 CA SER A 43 2.414 24.098 -11.274 1.00 25.00 C ATOM 620 C SER A 43 1.803 23.012 -12.163 1.00 25.00 C ATOM 621 O SER A 43 2.475 22.372 -12.968 1.00 25.00 O ATOM 622 CB SER A 43 3.261 25.030 -12.122 1.00 25.00 C ATOM 623 OG SER A 43 2.481 25.586 -13.171 1.00 25.00 O ATOM 0 H SER A 43 4.039 22.994 -10.558 1.00 25.00 H new ATOM 0 HA SER A 43 1.604 24.658 -10.807 1.00 25.00 H new ATOM 0 HB2 SER A 43 3.669 25.827 -11.501 1.00 25.00 H new ATOM 0 HB3 SER A 43 4.108 24.485 -12.539 1.00 25.00 H new ATOM 0 HG SER A 43 3.038 26.186 -13.710 1.00 25.00 H new ATOM 629 N ASN A 44 0.488 22.818 -12.026 1.00 25.00 N ATOM 630 CA ASN A 44 -0.233 21.798 -12.795 1.00 25.00 C ATOM 631 C ASN A 44 -0.251 22.078 -14.284 1.00 25.00 C ATOM 632 O ASN A 44 -0.457 21.157 -15.098 1.00 25.00 O ATOM 633 CB ASN A 44 -1.695 21.710 -12.337 1.00 25.00 C ATOM 634 CG ASN A 44 -1.843 21.136 -10.943 1.00 25.00 C ATOM 635 OD1 ASN A 44 -1.339 21.683 -9.975 1.00 25.00 O ATOM 636 ND2 ASN A 44 -2.531 20.030 -10.839 1.00 25.00 N ATOM 0 H ASN A 44 -0.100 23.355 -11.389 1.00 25.00 H new ATOM 0 HA ASN A 44 0.303 20.866 -12.614 1.00 25.00 H new ATOM 0 HB2 ASN A 44 -2.139 22.705 -12.364 1.00 25.00 H new ATOM 0 HB3 ASN A 44 -2.254 21.092 -13.040 1.00 25.00 H new ATOM 0 HD21 ASN A 44 -2.662 19.595 -9.926 1.00 25.00 H new ATOM 0 HD22 ASN A 44 -2.937 19.602 -11.671 1.00 25.00 H new ATOM 643 N SER A 45 -0.101 23.335 -14.667 1.00 25.00 N ATOM 644 CA SER A 45 -0.173 23.712 -16.084 1.00 25.00 C ATOM 645 C SER A 45 0.996 23.124 -16.868 1.00 25.00 C ATOM 646 O SER A 45 0.814 22.660 -17.985 1.00 25.00 O ATOM 647 CB SER A 45 -0.190 25.237 -16.222 1.00 25.00 C ATOM 648 OG SER A 45 0.909 25.801 -15.529 1.00 25.00 O ATOM 0 H SER A 45 0.070 24.112 -14.029 1.00 25.00 H new ATOM 0 HA SER A 45 -1.096 23.306 -16.498 1.00 25.00 H new ATOM 0 HB2 SER A 45 -0.147 25.515 -17.275 1.00 25.00 H new ATOM 0 HB3 SER A 45 -1.124 25.635 -15.825 1.00 25.00 H new ATOM 0 HG SER A 45 0.890 26.776 -15.624 1.00 25.00 H new ATOM 654 N CYS A 46 2.188 23.134 -16.283 1.00 25.00 N ATOM 655 CA CYS A 46 3.359 22.633 -16.982 1.00 25.00 C ATOM 656 C CYS A 46 3.771 21.254 -16.480 1.00 25.00 C ATOM 657 O CYS A 46 4.650 20.622 -17.055 1.00 25.00 O ATOM 658 CB CYS A 46 4.522 23.638 -16.836 1.00 25.00 C ATOM 659 SG CYS A 46 5.396 23.558 -15.244 1.00 25.00 S ATOM 0 H CYS A 46 2.366 23.479 -15.340 1.00 25.00 H new ATOM 0 HA CYS A 46 3.105 22.527 -18.037 1.00 25.00 H new ATOM 0 HB2 CYS A 46 5.239 23.463 -17.638 1.00 25.00 H new ATOM 0 HB3 CYS A 46 4.132 24.647 -16.971 1.00 25.00 H new ATOM 664 N LYS A 47 3.124 20.799 -15.400 1.00 25.00 N ATOM 665 CA LYS A 47 3.454 19.525 -14.722 1.00 25.00 C ATOM 666 C LYS A 47 4.879 19.574 -14.166 1.00 25.00 C ATOM 667 O LYS A 47 5.560 18.561 -14.140 1.00 25.00 O ATOM 668 CB LYS A 47 3.290 18.289 -15.638 1.00 25.00 C ATOM 669 CG LYS A 47 1.927 18.157 -16.310 1.00 25.00 C ATOM 670 CD LYS A 47 0.808 17.908 -15.311 1.00 25.00 C ATOM 671 CE LYS A 47 -0.506 17.703 -16.019 1.00 25.00 C ATOM 672 NZ LYS A 47 -0.824 18.890 -16.890 1.00 25.00 N ATOM 0 H LYS A 47 2.351 21.302 -14.964 1.00 25.00 H new ATOM 0 HA LYS A 47 2.739 19.414 -13.907 1.00 25.00 H new ATOM 0 HB2 LYS A 47 4.057 18.325 -16.412 1.00 25.00 H new ATOM 0 HB3 LYS A 47 3.475 17.392 -15.048 1.00 25.00 H new ATOM 0 HG2 LYS A 47 1.713 19.066 -16.872 1.00 25.00 H new ATOM 0 HG3 LYS A 47 1.957 17.338 -17.029 1.00 25.00 H new ATOM 0 HD2 LYS A 47 1.042 17.031 -14.708 1.00 25.00 H new ATOM 0 HD3 LYS A 47 0.730 18.753 -14.628 1.00 25.00 H new ATOM 0 HE2 LYS A 47 -0.462 16.799 -16.627 1.00 25.00 H new ATOM 0 HE3 LYS A 47 -1.301 17.557 -15.288 1.00 25.00 H new ATOM 0 HZ1 LYS A 47 -1.807 18.823 -17.223 1.00 25.00 H new ATOM 0 HZ2 LYS A 47 -0.704 19.765 -16.341 1.00 25.00 H new ATOM 0 HZ3 LYS A 47 -0.181 18.903 -17.708 1.00 25.00 H new ATOM 686 N CYS A 48 5.309 20.733 -13.697 1.00 25.00 N ATOM 687 CA CYS A 48 6.644 20.879 -13.113 1.00 25.00 C ATOM 688 C CYS A 48 6.556 21.467 -11.722 1.00 25.00 C ATOM 689 O CYS A 48 5.588 22.151 -11.370 1.00 25.00 O ATOM 690 CB CYS A 48 7.522 21.814 -13.946 1.00 25.00 C ATOM 691 SG CYS A 48 6.907 22.247 -15.608 1.00 25.00 S ATOM 0 H CYS A 48 4.757 21.591 -13.706 1.00 25.00 H new ATOM 0 HA CYS A 48 7.082 19.881 -13.086 1.00 25.00 H new ATOM 0 HB2 CYS A 48 7.665 22.737 -13.384 1.00 25.00 H new ATOM 0 HB3 CYS A 48 8.503 21.352 -14.055 1.00 25.00 H new ATOM 696 N CYS A 49 7.611 21.285 -10.956 1.00 25.00 N ATOM 697 CA CYS A 49 7.772 21.988 -9.701 1.00 25.00 C ATOM 698 C CYS A 49 8.429 23.295 -10.147 1.00 25.00 C ATOM 699 O CYS A 49 9.377 23.262 -10.915 1.00 25.00 O ATOM 700 CB CYS A 49 8.683 21.209 -8.751 1.00 25.00 C ATOM 701 SG CYS A 49 8.780 22.014 -7.129 1.00 25.00 S ATOM 0 H CYS A 49 8.376 20.650 -11.184 1.00 25.00 H new ATOM 0 HA CYS A 49 6.841 22.131 -9.153 1.00 25.00 H new ATOM 0 HB2 CYS A 49 8.307 20.193 -8.634 1.00 25.00 H new ATOM 0 HB3 CYS A 49 9.681 21.132 -9.182 1.00 25.00 H new ATOM 706 N THR A 50 7.877 24.426 -9.745 1.00 25.00 N ATOM 707 CA THR A 50 8.314 25.738 -10.238 1.00 25.00 C ATOM 708 C THR A 50 8.646 26.676 -9.093 1.00 25.00 C ATOM 709 O THR A 50 8.270 26.432 -7.960 1.00 25.00 O ATOM 710 CB THR A 50 7.205 26.397 -11.088 1.00 25.00 C ATOM 711 OG1 THR A 50 5.986 26.427 -10.342 1.00 25.00 O ATOM 712 CG2 THR A 50 6.948 25.599 -12.361 1.00 25.00 C ATOM 0 H THR A 50 7.114 24.470 -9.069 1.00 25.00 H new ATOM 0 HA THR A 50 9.205 25.569 -10.842 1.00 25.00 H new ATOM 0 HB THR A 50 7.534 27.404 -11.345 1.00 25.00 H new ATOM 0 HG1 THR A 50 5.387 27.104 -10.721 1.00 25.00 H new ATOM 0 HG21 THR A 50 6.163 26.083 -12.942 1.00 25.00 H new ATOM 0 HG22 THR A 50 7.862 25.554 -12.953 1.00 25.00 H new ATOM 0 HG23 THR A 50 6.635 24.588 -12.100 1.00 25.00 H new ATOM 720 N TRP A 51 9.353 27.757 -9.395 1.00 25.00 N ATOM 721 CA TRP A 51 9.748 28.732 -8.380 1.00 25.00 C ATOM 722 C TRP A 51 8.537 29.443 -7.781 1.00 25.00 C ATOM 723 O TRP A 51 7.542 29.676 -8.462 1.00 25.00 O ATOM 724 CB TRP A 51 10.704 29.765 -9.008 1.00 25.00 C ATOM 725 CG TRP A 51 11.330 30.687 -7.998 1.00 25.00 C ATOM 726 CD1 TRP A 51 11.825 30.365 -6.767 1.00 25.00 C ATOM 727 CD2 TRP A 51 11.543 32.113 -8.110 1.00 25.00 C ATOM 728 NE1 TRP A 51 12.301 31.455 -6.110 1.00 25.00 N ATOM 729 CE2 TRP A 51 12.154 32.551 -6.895 1.00 25.00 C ATOM 730 CE3 TRP A 51 11.283 33.065 -9.121 1.00 25.00 C ATOM 731 CZ2 TRP A 51 12.492 33.894 -6.668 1.00 25.00 C ATOM 732 CZ3 TRP A 51 11.615 34.417 -8.879 1.00 25.00 C ATOM 733 CH2 TRP A 51 12.210 34.818 -7.652 1.00 25.00 C ATOM 0 H TRP A 51 9.667 27.984 -10.339 1.00 25.00 H new ATOM 0 HA TRP A 51 10.252 28.199 -7.574 1.00 25.00 H new ATOM 0 HB2 TRP A 51 11.492 29.240 -9.548 1.00 25.00 H new ATOM 0 HB3 TRP A 51 10.157 30.358 -9.741 1.00 25.00 H new ATOM 0 HD1 TRP A 51 11.837 29.363 -6.364 1.00 25.00 H new ATOM 0 HE1 TRP A 51 12.705 31.450 -5.174 1.00 25.00 H new ATOM 0 HE3 TRP A 51 10.840 32.766 -10.059 1.00 25.00 H new ATOM 0 HZ2 TRP A 51 12.962 34.197 -5.744 1.00 25.00 H new ATOM 0 HZ3 TRP A 51 11.413 35.158 -9.639 1.00 25.00 H new ATOM 0 HH2 TRP A 51 12.444 35.860 -7.488 1.00 25.00 H new ATOM 744 N ASN A 52 8.627 29.788 -6.507 1.00 25.00 N ATOM 745 CA ASN A 52 7.551 30.487 -5.805 1.00 25.00 C ATOM 746 C ASN A 52 7.279 31.891 -6.374 1.00 25.00 C ATOM 747 O ASN A 52 6.160 32.364 -6.321 1.00 25.00 O ATOM 748 CB ASN A 52 7.922 30.575 -4.322 1.00 25.00 C ATOM 749 CG ASN A 52 6.884 31.294 -3.502 1.00 25.00 C ATOM 750 OD1 ASN A 52 6.941 32.498 -3.337 1.00 25.00 O ATOM 751 ND2 ASN A 52 5.940 30.565 -2.982 1.00 25.00 N ATOM 0 H ASN A 52 9.444 29.594 -5.927 1.00 25.00 H new ATOM 0 HA ASN A 52 6.629 29.921 -5.942 1.00 25.00 H new ATOM 0 HB2 ASN A 52 8.058 29.569 -3.926 1.00 25.00 H new ATOM 0 HB3 ASN A 52 8.878 31.089 -4.221 1.00 25.00 H new ATOM 0 HD21 ASN A 52 5.214 31.001 -2.413 1.00 25.00 H new ATOM 0 HD22 ASN A 52 5.926 29.558 -3.143 1.00 25.00 H new ATOM 758 N GLY A 53 8.301 32.521 -6.930 1.00 25.00 N ATOM 759 CA GLY A 53 8.121 33.818 -7.580 1.00 25.00 C ATOM 760 C GLY A 53 8.332 35.030 -6.680 1.00 25.00 C ATOM 761 O GLY A 53 8.270 36.162 -7.149 1.00 25.00 O ATOM 0 H GLY A 53 9.256 32.164 -6.947 1.00 25.00 H new ATOM 0 HA2 GLY A 53 8.812 33.885 -8.420 1.00 25.00 H new ATOM 0 HA3 GLY A 53 7.113 33.863 -7.993 1.00 25.00 H new ATOM 765 N LEU A 54 8.590 34.809 -5.396 1.00 25.00 N ATOM 766 CA LEU A 54 8.829 35.919 -4.466 1.00 25.00 C ATOM 767 C LEU A 54 10.110 36.684 -4.806 1.00 25.00 C ATOM 768 O LEU A 54 11.191 36.111 -4.818 1.00 25.00 O ATOM 769 CB LEU A 54 8.904 35.398 -3.032 1.00 25.00 C ATOM 770 CG LEU A 54 8.871 36.488 -1.952 1.00 25.00 C ATOM 771 CD1 LEU A 54 7.980 36.014 -0.789 1.00 25.00 C ATOM 772 CD2 LEU A 54 10.252 36.836 -1.429 1.00 25.00 C ATOM 0 H LEU A 54 8.640 33.882 -4.973 1.00 25.00 H new ATOM 0 HA LEU A 54 7.992 36.610 -4.562 1.00 25.00 H new ATOM 0 HB2 LEU A 54 8.072 34.714 -2.864 1.00 25.00 H new ATOM 0 HB3 LEU A 54 9.821 34.819 -2.917 1.00 25.00 H new ATOM 0 HG LEU A 54 8.466 37.392 -2.406 1.00 25.00 H new ATOM 0 HD11 LEU A 54 7.951 36.782 -0.017 1.00 25.00 H new ATOM 0 HD12 LEU A 54 6.970 35.830 -1.156 1.00 25.00 H new ATOM 0 HD13 LEU A 54 8.387 35.094 -0.370 1.00 25.00 H new ATOM 0 HD21 LEU A 54 10.168 37.612 -0.668 1.00 25.00 H new ATOM 0 HD22 LEU A 54 10.710 35.948 -0.993 1.00 25.00 H new ATOM 0 HD23 LEU A 54 10.871 37.198 -2.250 1.00 25.00 H new ATOM 784 N VAL A 55 9.972 37.979 -5.067 1.00 25.00 N ATOM 785 CA VAL A 55 11.123 38.832 -5.338 1.00 25.00 C ATOM 786 C VAL A 55 11.156 39.881 -4.217 1.00 25.00 C ATOM 787 O VAL A 55 10.138 40.510 -3.934 1.00 25.00 O ATOM 788 CB VAL A 55 10.994 39.525 -6.718 1.00 25.00 C ATOM 789 CG1 VAL A 55 12.205 40.411 -6.986 1.00 25.00 C ATOM 790 CG2 VAL A 55 10.866 38.495 -7.847 1.00 25.00 C ATOM 0 H VAL A 55 9.074 38.461 -5.097 1.00 25.00 H new ATOM 0 HA VAL A 55 12.041 38.244 -5.365 1.00 25.00 H new ATOM 0 HB VAL A 55 10.092 40.136 -6.694 1.00 25.00 H new ATOM 0 HG11 VAL A 55 12.097 40.890 -7.959 1.00 25.00 H new ATOM 0 HG12 VAL A 55 12.275 41.175 -6.212 1.00 25.00 H new ATOM 0 HG13 VAL A 55 13.110 39.803 -6.979 1.00 25.00 H new ATOM 0 HG21 VAL A 55 10.777 39.012 -8.803 1.00 25.00 H new ATOM 0 HG22 VAL A 55 11.750 37.858 -7.860 1.00 25.00 H new ATOM 0 HG23 VAL A 55 9.980 37.883 -7.682 1.00 25.00 H new ATOM 800 N PRO A 56 12.288 40.009 -3.499 1.00 25.00 N ATOM 801 CA PRO A 56 12.286 40.937 -2.359 1.00 25.00 C ATOM 802 C PRO A 56 12.588 42.403 -2.678 1.00 25.00 C ATOM 803 O PRO A 56 12.508 43.250 -1.800 1.00 25.00 O ATOM 804 CB PRO A 56 13.388 40.358 -1.474 1.00 25.00 C ATOM 805 CG PRO A 56 14.379 39.856 -2.446 1.00 25.00 C ATOM 806 CD PRO A 56 13.578 39.296 -3.589 1.00 25.00 C ATOM 0 HA PRO A 56 11.290 40.994 -1.921 1.00 25.00 H new ATOM 0 HB2 PRO A 56 13.817 41.116 -0.818 1.00 25.00 H new ATOM 0 HB3 PRO A 56 13.012 39.559 -0.835 1.00 25.00 H new ATOM 0 HG2 PRO A 56 15.037 40.657 -2.784 1.00 25.00 H new ATOM 0 HG3 PRO A 56 15.013 39.090 -1.999 1.00 25.00 H new ATOM 0 HD2 PRO A 56 14.068 39.475 -4.546 1.00 25.00 H new ATOM 0 HD3 PRO A 56 13.447 38.218 -3.495 1.00 25.00 H new ATOM 814 N ARG A 57 12.977 42.686 -3.916 1.00 25.00 N ATOM 815 CA ARG A 57 13.325 44.035 -4.347 1.00 25.00 C ATOM 816 C ARG A 57 12.752 44.291 -5.716 1.00 25.00 C ATOM 817 O ARG A 57 12.129 45.351 -5.923 1.00 25.00 O ATOM 818 CB ARG A 57 14.852 44.196 -4.421 1.00 25.00 C ATOM 819 CG ARG A 57 15.579 44.043 -3.109 1.00 25.00 C ATOM 820 CD ARG A 57 15.238 45.126 -2.133 1.00 25.00 C ATOM 821 NE ARG A 57 16.136 45.100 -0.968 1.00 25.00 N ATOM 822 CZ ARG A 57 15.880 45.680 0.194 1.00 25.00 C ATOM 823 NH1 ARG A 57 14.793 46.359 0.409 1.00 25.00 N ATOM 824 NH2 ARG A 57 16.754 45.570 1.165 1.00 25.00 N ATOM 825 OXT ARG A 57 13.016 43.456 -6.587 1.00 25.00 O ATOM 0 H ARG A 57 13.060 41.984 -4.651 1.00 25.00 H new ATOM 0 HA ARG A 57 12.917 44.744 -3.626 1.00 25.00 H new ATOM 0 HB2 ARG A 57 15.245 43.461 -5.123 1.00 25.00 H new ATOM 0 HB3 ARG A 57 15.078 45.181 -4.830 1.00 25.00 H new ATOM 0 HG2 ARG A 57 15.334 43.075 -2.672 1.00 25.00 H new ATOM 0 HG3 ARG A 57 16.654 44.048 -3.291 1.00 25.00 H new ATOM 0 HD2 ARG A 57 15.306 46.096 -2.625 1.00 25.00 H new ATOM 0 HD3 ARG A 57 14.206 45.008 -1.802 1.00 25.00 H new ATOM 0 HE ARG A 57 17.019 44.599 -1.062 1.00 25.00 H new ATOM 0 HH11 ARG A 57 14.100 46.460 -0.332 1.00 25.00 H new ATOM 0 HH12 ARG A 57 14.633 46.791 1.319 1.00 25.00 H new ATOM 0 HH21 ARG A 57 17.615 45.044 1.019 1.00 25.00 H new ATOM 0 HH22 ARG A 57 16.573 46.011 2.067 1.00 25.00 H new TER 839 ARG A 57