USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 634 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 42 THR OG1 : rot -81:sc= 0.256 USER MOD Set 1.2: A 48 GLN : amide:sc= -0.468 K(o=-0.21,f=-1.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0327 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -157:sc= -0.132 (180deg=-0.701) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN :FLIP amide:sc= -0.352 F(o=-1.1,f=-0.35) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 55 GLN : amide:sc= -0.615 X(o=-0.62,f=-0.22) USER MOD Single : A 63 GLN : amide:sc= -0.0408 X(o=-0.041,f=-0.41) USER MOD Single : A 66 GLN : amide:sc= -0.685 K(o=-0.69,f=-2!) USER MOD Single : A 68 THR OG1 : rot -86:sc= 0.842 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.026) USER MOD Single : A 72 MET CE :methyl -161:sc= -0.191 (180deg=-0.7) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.0229 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.413 16.437 -4.969 1.00 71.03 N ATOM 2 CA GLY A 1 1.546 14.998 -5.178 1.00 31.04 C ATOM 3 C GLY A 1 2.463 14.358 -4.163 1.00 15.31 C ATOM 4 O GLY A 1 2.088 13.389 -3.506 1.00 71.13 O ATOM 0 H1 GLY A 1 0.775 16.835 -5.688 1.00 71.03 H new ATOM 0 H2 GLY A 1 1.022 16.616 -4.022 1.00 71.03 H new ATOM 0 H3 GLY A 1 2.347 16.887 -5.048 1.00 71.03 H new ATOM 0 HA2 GLY A 1 0.562 14.532 -5.122 1.00 31.04 H new ATOM 0 HA3 GLY A 1 1.930 14.812 -6.181 1.00 31.04 H new ATOM 10 N THR A 2 3.658 14.881 -4.038 1.00 42.10 N ATOM 11 CA THR A 2 4.621 14.374 -3.104 1.00 40.34 C ATOM 12 C THR A 2 5.492 15.533 -2.579 1.00 3.02 C ATOM 13 O THR A 2 6.223 16.187 -3.345 1.00 15.32 O ATOM 14 CB THR A 2 5.480 13.217 -3.742 1.00 14.33 C ATOM 15 OG1 THR A 2 6.476 12.729 -2.830 1.00 71.11 O ATOM 16 CG2 THR A 2 6.140 13.642 -5.056 1.00 23.53 C ATOM 0 H THR A 2 3.987 15.675 -4.587 1.00 42.10 H new ATOM 0 HA THR A 2 4.100 13.933 -2.254 1.00 40.34 H new ATOM 0 HB THR A 2 4.782 12.408 -3.960 1.00 14.33 H new ATOM 0 HG1 THR A 2 6.988 12.012 -3.258 1.00 71.11 H new ATOM 0 HG21 THR A 2 6.721 12.811 -5.457 1.00 23.53 H new ATOM 0 HG22 THR A 2 5.371 13.927 -5.774 1.00 23.53 H new ATOM 0 HG23 THR A 2 6.799 14.491 -4.874 1.00 23.53 H new ATOM 24 N ASN A 3 5.383 15.819 -1.294 1.00 4.02 N ATOM 25 CA ASN A 3 6.107 16.935 -0.714 1.00 50.14 C ATOM 26 C ASN A 3 7.186 16.540 0.276 1.00 65.23 C ATOM 27 O ASN A 3 6.954 16.488 1.480 1.00 41.41 O ATOM 28 CB ASN A 3 5.186 18.012 -0.124 1.00 73.13 C ATOM 29 CG ASN A 3 4.347 18.718 -1.167 1.00 3.34 C ATOM 30 OD1 ASN A 3 3.226 18.312 -1.473 1.00 14.12 O ATOM 31 ND2 ASN A 3 4.873 19.781 -1.718 1.00 34.54 N ATOM 0 H ASN A 3 4.804 15.297 -0.636 1.00 4.02 H new ATOM 0 HA ASN A 3 6.625 17.374 -1.567 1.00 50.14 H new ATOM 0 HB2 ASN A 3 4.527 17.553 0.613 1.00 73.13 H new ATOM 0 HB3 ASN A 3 5.791 18.748 0.405 1.00 73.13 H new ATOM 0 HD21 ASN A 3 4.352 20.300 -2.424 1.00 34.54 H new ATOM 0 HD22 ASN A 3 5.805 20.091 -1.442 1.00 34.54 H new ATOM 38 N ASP A 4 8.323 16.172 -0.287 1.00 51.01 N ATOM 39 CA ASP A 4 9.625 15.938 0.391 1.00 24.43 C ATOM 40 C ASP A 4 9.610 15.156 1.715 1.00 32.41 C ATOM 41 O ASP A 4 9.900 13.968 1.741 1.00 41.43 O ATOM 42 CB ASP A 4 10.413 17.250 0.538 1.00 44.42 C ATOM 43 CG ASP A 4 11.791 17.049 1.138 1.00 32.32 C ATOM 44 OD1 ASP A 4 12.716 16.657 0.399 1.00 65.33 O ATOM 45 OD2 ASP A 4 11.974 17.286 2.354 1.00 43.44 O ATOM 0 H ASP A 4 8.386 16.014 -1.293 1.00 51.01 H new ATOM 0 HA ASP A 4 10.133 15.255 -0.290 1.00 24.43 H new ATOM 0 HB2 ASP A 4 10.514 17.719 -0.441 1.00 44.42 H new ATOM 0 HB3 ASP A 4 9.847 17.939 1.165 1.00 44.42 H new ATOM 50 N ALA A 5 9.252 15.828 2.781 1.00 15.21 N ATOM 51 CA ALA A 5 9.394 15.307 4.145 1.00 21.31 C ATOM 52 C ALA A 5 8.413 14.218 4.519 1.00 61.11 C ATOM 53 O ALA A 5 8.587 13.540 5.535 1.00 23.04 O ATOM 54 CB ALA A 5 9.368 16.434 5.159 1.00 41.13 C ATOM 0 H ALA A 5 8.848 16.764 2.740 1.00 15.21 H new ATOM 0 HA ALA A 5 10.370 14.822 4.163 1.00 21.31 H new ATOM 0 HB1 ALA A 5 9.475 16.023 6.163 1.00 41.13 H new ATOM 0 HB2 ALA A 5 10.189 17.122 4.959 1.00 41.13 H new ATOM 0 HB3 ALA A 5 8.421 16.968 5.085 1.00 41.13 H new ATOM 60 N GLU A 6 7.425 14.030 3.728 1.00 62.22 N ATOM 61 CA GLU A 6 6.427 13.027 4.036 1.00 4.25 C ATOM 62 C GLU A 6 6.434 11.863 3.056 1.00 60.20 C ATOM 63 O GLU A 6 6.244 12.037 1.850 1.00 40.44 O ATOM 64 CB GLU A 6 5.030 13.645 4.207 1.00 52.41 C ATOM 65 CG GLU A 6 4.533 14.434 3.018 1.00 11.14 C ATOM 66 CD GLU A 6 3.212 15.104 3.295 1.00 34.13 C ATOM 67 OE1 GLU A 6 3.207 16.157 3.953 1.00 75.40 O ATOM 68 OE2 GLU A 6 2.148 14.590 2.860 1.00 2.22 O ATOM 0 H GLU A 6 7.269 14.545 2.861 1.00 62.22 H new ATOM 0 HA GLU A 6 6.705 12.601 5.000 1.00 4.25 H new ATOM 0 HB2 GLU A 6 4.319 12.846 4.417 1.00 52.41 H new ATOM 0 HB3 GLU A 6 5.042 14.299 5.079 1.00 52.41 H new ATOM 0 HG2 GLU A 6 5.272 15.188 2.749 1.00 11.14 H new ATOM 0 HG3 GLU A 6 4.429 13.770 2.160 1.00 11.14 H new ATOM 75 N ASP A 7 6.684 10.685 3.586 1.00 73.02 N ATOM 76 CA ASP A 7 6.662 9.436 2.813 1.00 42.52 C ATOM 77 C ASP A 7 5.313 8.778 2.987 1.00 54.51 C ATOM 78 O ASP A 7 4.929 7.864 2.239 1.00 65.40 O ATOM 79 CB ASP A 7 7.802 8.484 3.245 1.00 74.41 C ATOM 80 CG ASP A 7 7.853 7.196 2.423 1.00 40.14 C ATOM 81 OD1 ASP A 7 8.294 7.239 1.251 1.00 60.31 O ATOM 82 OD2 ASP A 7 7.438 6.131 2.926 1.00 54.15 O ATOM 0 H ASP A 7 6.911 10.553 4.572 1.00 73.02 H new ATOM 0 HA ASP A 7 6.823 9.666 1.760 1.00 42.52 H new ATOM 0 HB2 ASP A 7 8.756 9.004 3.154 1.00 74.41 H new ATOM 0 HB3 ASP A 7 7.677 8.231 4.298 1.00 74.41 H new ATOM 87 N CYS A 8 4.573 9.278 3.954 1.00 21.11 N ATOM 88 CA CYS A 8 3.242 8.812 4.196 1.00 33.21 C ATOM 89 C CYS A 8 2.278 9.470 3.238 1.00 44.14 C ATOM 90 O CYS A 8 2.670 10.358 2.463 1.00 30.53 O ATOM 91 CB CYS A 8 2.835 8.957 5.672 1.00 20.32 C ATOM 92 SG CYS A 8 3.153 10.583 6.419 1.00 22.14 S ATOM 0 H CYS A 8 4.884 10.015 4.587 1.00 21.11 H new ATOM 0 HA CYS A 8 3.208 7.740 4.000 1.00 33.21 H new ATOM 0 HB2 CYS A 8 1.771 8.739 5.760 1.00 20.32 H new ATOM 0 HB3 CYS A 8 3.364 8.201 6.252 1.00 20.32 H new ATOM 97 N CYS A 9 1.047 9.060 3.259 1.00 73.20 N ATOM 98 CA CYS A 9 0.144 9.472 2.232 1.00 73.42 C ATOM 99 C CYS A 9 -0.651 10.709 2.643 1.00 1.03 C ATOM 100 O CYS A 9 -0.461 11.238 3.736 1.00 13.20 O ATOM 101 CB CYS A 9 -0.769 8.319 1.888 1.00 21.40 C ATOM 102 SG CYS A 9 -1.262 8.288 0.149 1.00 74.11 S ATOM 0 H CYS A 9 0.648 8.446 3.969 1.00 73.20 H new ATOM 0 HA CYS A 9 0.717 9.753 1.348 1.00 73.42 H new ATOM 0 HB2 CYS A 9 -0.268 7.383 2.133 1.00 21.40 H new ATOM 0 HB3 CYS A 9 -1.662 8.374 2.510 1.00 21.40 H new ATOM 107 N LEU A 10 -1.520 11.156 1.763 1.00 50.23 N ATOM 108 CA LEU A 10 -2.325 12.343 1.979 1.00 51.33 C ATOM 109 C LEU A 10 -3.551 12.009 2.828 1.00 53.05 C ATOM 110 O LEU A 10 -3.667 12.440 3.974 1.00 31.11 O ATOM 111 CB LEU A 10 -2.784 12.902 0.621 1.00 51.32 C ATOM 112 CG LEU A 10 -1.685 13.259 -0.385 1.00 45.40 C ATOM 113 CD1 LEU A 10 -2.299 13.720 -1.695 1.00 42.41 C ATOM 114 CD2 LEU A 10 -0.773 14.334 0.174 1.00 33.04 C ATOM 0 H LEU A 10 -1.691 10.702 0.866 1.00 50.23 H new ATOM 0 HA LEU A 10 -1.724 13.085 2.504 1.00 51.33 H new ATOM 0 HB2 LEU A 10 -3.444 12.169 0.157 1.00 51.32 H new ATOM 0 HB3 LEU A 10 -3.380 13.796 0.805 1.00 51.32 H new ATOM 0 HG LEU A 10 -1.089 12.366 -0.571 1.00 45.40 H new ATOM 0 HD11 LEU A 10 -1.506 13.970 -2.400 1.00 42.41 H new ATOM 0 HD12 LEU A 10 -2.914 12.921 -2.109 1.00 42.41 H new ATOM 0 HD13 LEU A 10 -2.918 14.600 -1.517 1.00 42.41 H new ATOM 0 HD21 LEU A 10 -0.000 14.572 -0.557 1.00 33.04 H new ATOM 0 HD22 LEU A 10 -1.356 15.229 0.390 1.00 33.04 H new ATOM 0 HD23 LEU A 10 -0.306 13.975 1.091 1.00 33.04 H new ATOM 126 N SER A 11 -4.442 11.215 2.253 1.00 35.14 N ATOM 127 CA SER A 11 -5.698 10.826 2.872 1.00 72.23 C ATOM 128 C SER A 11 -6.372 9.856 1.936 1.00 1.13 C ATOM 129 O SER A 11 -6.160 9.947 0.726 1.00 54.33 O ATOM 130 CB SER A 11 -6.581 12.071 3.092 1.00 71.12 C ATOM 131 OG SER A 11 -6.739 12.810 1.877 1.00 75.45 O ATOM 0 H SER A 11 -4.308 10.816 1.324 1.00 35.14 H new ATOM 0 HA SER A 11 -5.531 10.362 3.844 1.00 72.23 H new ATOM 0 HB2 SER A 11 -7.558 11.766 3.466 1.00 71.12 H new ATOM 0 HB3 SER A 11 -6.133 12.709 3.854 1.00 71.12 H new ATOM 0 HG SER A 11 -7.304 13.594 2.042 1.00 75.45 H new ATOM 137 N VAL A 12 -7.155 8.931 2.442 1.00 43.55 N ATOM 138 CA VAL A 12 -7.753 7.961 1.552 1.00 50.25 C ATOM 139 C VAL A 12 -9.168 8.382 1.234 1.00 44.20 C ATOM 140 O VAL A 12 -9.752 9.214 1.945 1.00 51.24 O ATOM 141 CB VAL A 12 -7.749 6.500 2.137 1.00 25.43 C ATOM 142 CG1 VAL A 12 -6.459 6.185 2.852 1.00 51.25 C ATOM 143 CG2 VAL A 12 -8.955 6.172 3.000 1.00 44.13 C ATOM 0 H VAL A 12 -7.388 8.829 3.430 1.00 43.55 H new ATOM 0 HA VAL A 12 -7.146 7.936 0.647 1.00 50.25 H new ATOM 0 HB VAL A 12 -7.825 5.847 1.267 1.00 25.43 H new ATOM 0 HG11 VAL A 12 -6.498 5.167 3.241 1.00 51.25 H new ATOM 0 HG12 VAL A 12 -5.625 6.276 2.156 1.00 51.25 H new ATOM 0 HG13 VAL A 12 -6.320 6.884 3.677 1.00 51.25 H new ATOM 0 HG21 VAL A 12 -8.875 5.147 3.363 1.00 44.13 H new ATOM 0 HG22 VAL A 12 -8.992 6.856 3.848 1.00 44.13 H new ATOM 0 HG23 VAL A 12 -9.865 6.277 2.409 1.00 44.13 H new ATOM 153 N THR A 13 -9.697 7.846 0.180 1.00 22.44 N ATOM 154 CA THR A 13 -11.060 8.086 -0.190 1.00 4.45 C ATOM 155 C THR A 13 -11.846 6.825 0.186 1.00 72.12 C ATOM 156 O THR A 13 -11.231 5.865 0.680 1.00 50.51 O ATOM 157 CB THR A 13 -11.189 8.428 -1.712 1.00 14.23 C ATOM 158 OG1 THR A 13 -12.557 8.713 -2.069 1.00 21.53 O ATOM 159 CG2 THR A 13 -10.655 7.298 -2.579 1.00 5.12 C ATOM 0 H THR A 13 -9.194 7.225 -0.454 1.00 22.44 H new ATOM 0 HA THR A 13 -11.460 8.953 0.336 1.00 4.45 H new ATOM 0 HB THR A 13 -10.588 9.319 -1.893 1.00 14.23 H new ATOM 0 HG1 THR A 13 -12.608 8.925 -3.024 1.00 21.53 H new ATOM 0 HG21 THR A 13 -10.759 7.566 -3.630 1.00 5.12 H new ATOM 0 HG22 THR A 13 -9.603 7.129 -2.350 1.00 5.12 H new ATOM 0 HG23 THR A 13 -11.220 6.388 -2.379 1.00 5.12 H new ATOM 167 N GLN A 14 -13.168 6.820 -0.021 1.00 34.41 N ATOM 168 CA GLN A 14 -14.006 5.682 0.349 1.00 51.51 C ATOM 169 C GLN A 14 -13.426 4.393 -0.228 1.00 23.20 C ATOM 170 O GLN A 14 -13.093 3.468 0.518 1.00 62.41 O ATOM 171 CB GLN A 14 -15.441 5.902 -0.106 1.00 2.20 C ATOM 172 CG GLN A 14 -16.412 4.839 0.348 1.00 11.44 C ATOM 173 CD GLN A 14 -17.822 5.155 -0.077 1.00 55.40 C ATOM 174 OE1 GLN A 14 -18.260 4.756 -1.152 1.00 65.41 O ATOM 175 NE2 GLN A 14 -18.537 5.885 0.745 1.00 1.50 N ATOM 0 H GLN A 14 -13.678 7.595 -0.444 1.00 34.41 H new ATOM 0 HA GLN A 14 -14.018 5.589 1.435 1.00 51.51 H new ATOM 0 HB2 GLN A 14 -15.782 6.869 0.264 1.00 2.20 H new ATOM 0 HB3 GLN A 14 -15.460 5.952 -1.195 1.00 2.20 H new ATOM 0 HG2 GLN A 14 -16.115 3.875 -0.064 1.00 11.44 H new ATOM 0 HG3 GLN A 14 -16.371 4.748 1.433 1.00 11.44 H new ATOM 0 HE21 GLN A 14 -18.137 6.197 1.630 1.00 1.50 H new ATOM 0 HE22 GLN A 14 -19.494 6.141 0.500 1.00 1.50 H new ATOM 184 N LYS A 15 -13.281 4.334 -1.522 1.00 73.11 N ATOM 185 CA LYS A 15 -12.599 3.232 -2.113 1.00 43.04 C ATOM 186 C LYS A 15 -11.654 3.684 -3.222 1.00 34.23 C ATOM 187 O LYS A 15 -12.083 4.001 -4.333 1.00 42.31 O ATOM 188 CB LYS A 15 -13.521 2.135 -2.618 1.00 31.13 C ATOM 189 CG LYS A 15 -12.719 0.994 -3.198 1.00 72.33 C ATOM 190 CD LYS A 15 -13.576 -0.115 -3.739 1.00 52.32 C ATOM 191 CE LYS A 15 -12.702 -1.158 -4.407 1.00 11.11 C ATOM 192 NZ LYS A 15 -11.944 -0.584 -5.556 1.00 4.43 N ATOM 0 H LYS A 15 -13.626 5.034 -2.179 1.00 73.11 H new ATOM 0 HA LYS A 15 -12.014 2.795 -1.304 1.00 43.04 H new ATOM 0 HB2 LYS A 15 -14.144 1.771 -1.801 1.00 31.13 H new ATOM 0 HB3 LYS A 15 -14.193 2.537 -3.376 1.00 31.13 H new ATOM 0 HG2 LYS A 15 -12.082 1.375 -3.996 1.00 72.33 H new ATOM 0 HG3 LYS A 15 -12.060 0.593 -2.428 1.00 72.33 H new ATOM 0 HD2 LYS A 15 -14.150 -0.571 -2.932 1.00 52.32 H new ATOM 0 HD3 LYS A 15 -14.294 0.284 -4.455 1.00 52.32 H new ATOM 0 HE2 LYS A 15 -12.003 -1.569 -3.678 1.00 11.11 H new ATOM 0 HE3 LYS A 15 -13.322 -1.984 -4.755 1.00 11.11 H new ATOM 0 HZ1 LYS A 15 -11.678 -1.346 -6.212 1.00 4.43 H new ATOM 0 HZ2 LYS A 15 -12.539 0.108 -6.054 1.00 4.43 H new ATOM 0 HZ3 LYS A 15 -11.085 -0.113 -5.205 1.00 4.43 H new ATOM 206 N PRO A 16 -10.363 3.784 -2.908 1.00 33.13 N ATOM 207 CA PRO A 16 -9.328 4.092 -3.895 1.00 21.35 C ATOM 208 C PRO A 16 -9.098 2.963 -4.957 1.00 44.23 C ATOM 209 O PRO A 16 -9.938 2.044 -5.132 1.00 10.40 O ATOM 210 CB PRO A 16 -8.072 4.310 -3.042 1.00 75.15 C ATOM 211 CG PRO A 16 -8.362 3.708 -1.720 1.00 42.54 C ATOM 212 CD PRO A 16 -9.816 3.686 -1.544 1.00 51.12 C ATOM 0 HA PRO A 16 -9.610 4.954 -4.499 1.00 21.35 H new ATOM 0 HB2 PRO A 16 -7.203 3.840 -3.502 1.00 75.15 H new ATOM 0 HB3 PRO A 16 -7.846 5.372 -2.945 1.00 75.15 H new ATOM 0 HG2 PRO A 16 -7.956 2.698 -1.663 1.00 42.54 H new ATOM 0 HG3 PRO A 16 -7.890 4.287 -0.926 1.00 42.54 H new ATOM 0 HD2 PRO A 16 -10.141 2.769 -1.053 1.00 51.12 H new ATOM 0 HD3 PRO A 16 -10.152 4.516 -0.923 1.00 51.12 H new ATOM 220 N ILE A 17 -7.958 3.072 -5.644 1.00 21.02 N ATOM 221 CA ILE A 17 -7.544 2.197 -6.766 1.00 41.04 C ATOM 222 C ILE A 17 -7.558 0.693 -6.408 1.00 4.43 C ATOM 223 O ILE A 17 -7.461 0.328 -5.246 1.00 54.11 O ATOM 224 CB ILE A 17 -6.102 2.565 -7.283 1.00 32.21 C ATOM 225 CG1 ILE A 17 -4.958 2.145 -6.290 1.00 72.53 C ATOM 226 CG2 ILE A 17 -6.008 4.048 -7.633 1.00 21.12 C ATOM 227 CD1 ILE A 17 -5.030 2.735 -4.890 1.00 33.10 C ATOM 0 H ILE A 17 -7.268 3.793 -5.435 1.00 21.02 H new ATOM 0 HA ILE A 17 -8.285 2.373 -7.546 1.00 41.04 H new ATOM 0 HB ILE A 17 -5.946 1.981 -8.190 1.00 32.21 H new ATOM 0 HG12 ILE A 17 -4.962 1.058 -6.204 1.00 72.53 H new ATOM 0 HG13 ILE A 17 -4.002 2.427 -6.731 1.00 72.53 H new ATOM 0 HG21 ILE A 17 -5.002 4.275 -7.987 1.00 21.12 H new ATOM 0 HG22 ILE A 17 -6.730 4.284 -8.415 1.00 21.12 H new ATOM 0 HG23 ILE A 17 -6.224 4.645 -6.747 1.00 21.12 H new ATOM 0 HD11 ILE A 17 -4.189 2.373 -4.299 1.00 33.10 H new ATOM 0 HD12 ILE A 17 -4.989 3.823 -4.951 1.00 33.10 H new ATOM 0 HD13 ILE A 17 -5.964 2.433 -4.416 1.00 33.10 H new ATOM 239 N PRO A 18 -7.674 -0.191 -7.423 1.00 53.40 N ATOM 240 CA PRO A 18 -7.664 -1.633 -7.214 1.00 21.34 C ATOM 241 C PRO A 18 -6.263 -2.170 -6.881 1.00 23.33 C ATOM 242 O PRO A 18 -5.244 -1.657 -7.365 1.00 73.11 O ATOM 243 CB PRO A 18 -8.132 -2.217 -8.556 1.00 71.14 C ATOM 244 CG PRO A 18 -8.488 -1.055 -9.422 1.00 53.44 C ATOM 245 CD PRO A 18 -7.822 0.149 -8.839 1.00 22.31 C ATOM 0 HA PRO A 18 -8.297 -1.907 -6.370 1.00 21.34 H new ATOM 0 HB2 PRO A 18 -7.345 -2.816 -9.014 1.00 71.14 H new ATOM 0 HB3 PRO A 18 -8.991 -2.873 -8.415 1.00 71.14 H new ATOM 0 HG2 PRO A 18 -8.154 -1.222 -10.446 1.00 53.44 H new ATOM 0 HG3 PRO A 18 -9.569 -0.918 -9.457 1.00 53.44 H new ATOM 0 HD2 PRO A 18 -6.857 0.340 -9.308 1.00 22.31 H new ATOM 0 HD3 PRO A 18 -8.426 1.046 -8.975 1.00 22.31 H new ATOM 253 N GLY A 19 -6.226 -3.233 -6.093 1.00 33.05 N ATOM 254 CA GLY A 19 -4.969 -3.843 -5.672 1.00 23.05 C ATOM 255 C GLY A 19 -4.327 -4.704 -6.742 1.00 11.52 C ATOM 256 O GLY A 19 -3.298 -5.341 -6.522 1.00 31.23 O ATOM 0 H GLY A 19 -7.058 -3.696 -5.728 1.00 33.05 H new ATOM 0 HA2 GLY A 19 -4.272 -3.057 -5.383 1.00 23.05 H new ATOM 0 HA3 GLY A 19 -5.149 -4.452 -4.786 1.00 23.05 H new ATOM 260 N TYR A 20 -4.941 -4.761 -7.869 1.00 24.02 N ATOM 261 CA TYR A 20 -4.405 -5.476 -8.975 1.00 72.30 C ATOM 262 C TYR A 20 -3.370 -4.629 -9.750 1.00 30.22 C ATOM 263 O TYR A 20 -2.479 -5.174 -10.407 1.00 33.51 O ATOM 264 CB TYR A 20 -5.555 -5.950 -9.861 1.00 22.23 C ATOM 265 CG TYR A 20 -5.150 -6.472 -11.200 1.00 34.12 C ATOM 266 CD1 TYR A 20 -4.574 -7.721 -11.339 1.00 14.54 C ATOM 267 CD2 TYR A 20 -5.350 -5.708 -12.332 1.00 2.12 C ATOM 268 CE1 TYR A 20 -4.200 -8.194 -12.576 1.00 43.52 C ATOM 269 CE2 TYR A 20 -4.985 -6.167 -13.574 1.00 74.34 C ATOM 270 CZ TYR A 20 -4.409 -7.411 -13.693 1.00 74.40 C ATOM 271 OH TYR A 20 -4.037 -7.875 -14.941 1.00 31.42 O ATOM 0 H TYR A 20 -5.837 -4.310 -8.053 1.00 24.02 H new ATOM 0 HA TYR A 20 -3.861 -6.350 -8.616 1.00 72.30 H new ATOM 0 HB2 TYR A 20 -6.101 -6.732 -9.333 1.00 22.23 H new ATOM 0 HB3 TYR A 20 -6.247 -5.120 -10.006 1.00 22.23 H new ATOM 0 HD1 TYR A 20 -4.415 -8.334 -10.464 1.00 14.54 H new ATOM 0 HD2 TYR A 20 -5.802 -4.731 -12.239 1.00 2.12 H new ATOM 0 HE1 TYR A 20 -3.747 -9.170 -12.672 1.00 43.52 H new ATOM 0 HE2 TYR A 20 -5.149 -5.557 -14.450 1.00 74.34 H new ATOM 0 HH TYR A 20 -4.255 -7.201 -15.619 1.00 31.42 H new ATOM 281 N ILE A 21 -3.462 -3.305 -9.641 1.00 32.21 N ATOM 282 CA ILE A 21 -2.547 -2.426 -10.385 1.00 73.31 C ATOM 283 C ILE A 21 -1.415 -1.894 -9.496 1.00 60.21 C ATOM 284 O ILE A 21 -0.671 -0.985 -9.884 1.00 74.32 O ATOM 285 CB ILE A 21 -3.286 -1.238 -11.070 1.00 72.54 C ATOM 286 CG1 ILE A 21 -3.960 -0.324 -10.035 1.00 53.13 C ATOM 287 CG2 ILE A 21 -4.312 -1.763 -12.075 1.00 10.20 C ATOM 288 CD1 ILE A 21 -4.606 0.905 -10.641 1.00 33.04 C ATOM 0 H ILE A 21 -4.144 -2.820 -9.058 1.00 32.21 H new ATOM 0 HA ILE A 21 -2.112 -3.047 -11.168 1.00 73.31 H new ATOM 0 HB ILE A 21 -2.545 -0.642 -11.602 1.00 72.54 H new ATOM 0 HG12 ILE A 21 -4.717 -0.895 -9.497 1.00 53.13 H new ATOM 0 HG13 ILE A 21 -3.217 -0.010 -9.302 1.00 53.13 H new ATOM 0 HG21 ILE A 21 -4.822 -0.923 -12.547 1.00 10.20 H new ATOM 0 HG22 ILE A 21 -3.805 -2.355 -12.837 1.00 10.20 H new ATOM 0 HG23 ILE A 21 -5.042 -2.386 -11.558 1.00 10.20 H new ATOM 0 HD11 ILE A 21 -5.062 1.503 -9.852 1.00 33.04 H new ATOM 0 HD12 ILE A 21 -3.849 1.498 -11.155 1.00 33.04 H new ATOM 0 HD13 ILE A 21 -5.373 0.599 -11.353 1.00 33.04 H new ATOM 300 N VAL A 22 -1.280 -2.474 -8.326 1.00 3.50 N ATOM 301 CA VAL A 22 -0.236 -2.103 -7.394 1.00 21.12 C ATOM 302 C VAL A 22 0.954 -3.055 -7.483 1.00 24.52 C ATOM 303 O VAL A 22 0.789 -4.268 -7.595 1.00 61.55 O ATOM 304 CB VAL A 22 -0.766 -1.958 -5.944 1.00 13.31 C ATOM 305 CG1 VAL A 22 -1.495 -3.175 -5.504 1.00 5.00 C ATOM 306 CG2 VAL A 22 0.347 -1.636 -4.986 1.00 61.04 C ATOM 0 H VAL A 22 -1.892 -3.218 -7.991 1.00 3.50 H new ATOM 0 HA VAL A 22 0.120 -1.115 -7.687 1.00 21.12 H new ATOM 0 HB VAL A 22 -1.470 -1.126 -5.942 1.00 13.31 H new ATOM 0 HG11 VAL A 22 -1.852 -3.036 -4.483 1.00 5.00 H new ATOM 0 HG12 VAL A 22 -2.344 -3.349 -6.165 1.00 5.00 H new ATOM 0 HG13 VAL A 22 -0.825 -4.034 -5.541 1.00 5.00 H new ATOM 0 HG21 VAL A 22 -0.057 -1.541 -3.978 1.00 61.04 H new ATOM 0 HG22 VAL A 22 1.087 -2.436 -5.006 1.00 61.04 H new ATOM 0 HG23 VAL A 22 0.819 -0.698 -5.278 1.00 61.04 H new ATOM 316 N ARG A 23 2.138 -2.483 -7.465 1.00 25.13 N ATOM 317 CA ARG A 23 3.372 -3.217 -7.602 1.00 23.25 C ATOM 318 C ARG A 23 3.822 -3.629 -6.191 1.00 71.55 C ATOM 319 O ARG A 23 4.013 -4.806 -5.896 1.00 51.10 O ATOM 320 CB ARG A 23 4.425 -2.279 -8.230 1.00 70.23 C ATOM 321 CG ARG A 23 5.389 -2.883 -9.270 1.00 73.04 C ATOM 322 CD ARG A 23 6.220 -4.039 -8.747 1.00 21.10 C ATOM 323 NE ARG A 23 5.442 -5.270 -8.592 1.00 24.14 N ATOM 324 CZ ARG A 23 5.887 -6.395 -8.037 1.00 14.25 C ATOM 325 NH1 ARG A 23 7.122 -6.461 -7.542 1.00 3.44 N ATOM 326 NH2 ARG A 23 5.097 -7.448 -7.981 1.00 12.43 N ATOM 0 H ARG A 23 2.270 -1.478 -7.353 1.00 25.13 H new ATOM 0 HA ARG A 23 3.248 -4.098 -8.231 1.00 23.25 H new ATOM 0 HB2 ARG A 23 3.898 -1.450 -8.702 1.00 70.23 H new ATOM 0 HB3 ARG A 23 5.023 -1.857 -7.422 1.00 70.23 H new ATOM 0 HG2 ARG A 23 4.812 -3.224 -10.129 1.00 73.04 H new ATOM 0 HG3 ARG A 23 6.059 -2.100 -9.626 1.00 73.04 H new ATOM 0 HD2 ARG A 23 7.050 -4.222 -9.429 1.00 21.10 H new ATOM 0 HD3 ARG A 23 6.653 -3.764 -7.785 1.00 21.10 H new ATOM 0 HE ARG A 23 4.482 -5.265 -8.937 1.00 24.14 H new ATOM 0 HH11 ARG A 23 7.734 -5.646 -7.587 1.00 3.44 H new ATOM 0 HH12 ARG A 23 7.456 -7.327 -7.118 1.00 3.44 H new ATOM 0 HH21 ARG A 23 4.152 -7.397 -8.361 1.00 12.43 H new ATOM 0 HH22 ARG A 23 5.431 -8.314 -7.557 1.00 12.43 H new ATOM 340 N ASN A 24 3.960 -2.636 -5.320 1.00 3.44 N ATOM 341 CA ASN A 24 4.352 -2.845 -3.919 1.00 32.25 C ATOM 342 C ASN A 24 3.586 -1.881 -3.057 1.00 42.55 C ATOM 343 O ASN A 24 3.036 -0.912 -3.559 1.00 43.14 O ATOM 344 CB ASN A 24 5.867 -2.629 -3.675 1.00 2.00 C ATOM 345 CG ASN A 24 6.765 -3.588 -4.429 1.00 51.53 C ATOM 346 OD1 ASN A 24 7.253 -3.172 -5.569 1.00 52.03 O flip ATOM 347 ND2 ASN A 24 7.057 -4.685 -3.959 1.00 15.30 N flip ATOM 0 H ASN A 24 3.804 -1.657 -5.560 1.00 3.44 H new ATOM 0 HA ASN A 24 4.126 -3.882 -3.669 1.00 32.25 H new ATOM 0 HB2 ASN A 24 6.126 -1.609 -3.958 1.00 2.00 H new ATOM 0 HB3 ASN A 24 6.068 -2.725 -2.608 1.00 2.00 H new ATOM 0 HD21 ASN A 24 6.659 -4.980 -3.067 1.00 15.30 H new ATOM 0 HD22 ASN A 24 7.697 -5.301 -4.460 1.00 15.30 H new ATOM 354 N PHE A 25 3.551 -2.122 -1.775 1.00 14.13 N ATOM 355 CA PHE A 25 2.828 -1.251 -0.873 1.00 40.41 C ATOM 356 C PHE A 25 3.685 -0.910 0.326 1.00 72.12 C ATOM 357 O PHE A 25 4.633 -1.634 0.649 1.00 64.33 O ATOM 358 CB PHE A 25 1.517 -1.919 -0.384 1.00 24.54 C ATOM 359 CG PHE A 25 1.723 -3.165 0.465 1.00 63.02 C ATOM 360 CD1 PHE A 25 1.991 -4.387 -0.125 1.00 53.52 C ATOM 361 CD2 PHE A 25 1.650 -3.105 1.851 1.00 14.32 C ATOM 362 CE1 PHE A 25 2.180 -5.518 0.636 1.00 45.23 C ATOM 363 CE2 PHE A 25 1.840 -4.236 2.620 1.00 64.22 C ATOM 364 CZ PHE A 25 2.106 -5.447 2.008 1.00 71.52 C ATOM 0 H PHE A 25 4.013 -2.913 -1.326 1.00 14.13 H new ATOM 0 HA PHE A 25 2.579 -0.341 -1.419 1.00 40.41 H new ATOM 0 HB2 PHE A 25 0.947 -1.191 0.193 1.00 24.54 H new ATOM 0 HB3 PHE A 25 0.912 -2.182 -1.252 1.00 24.54 H new ATOM 0 HD1 PHE A 25 2.053 -4.455 -1.201 1.00 53.52 H new ATOM 0 HD2 PHE A 25 1.442 -2.161 2.333 1.00 14.32 H new ATOM 0 HE1 PHE A 25 2.387 -6.463 0.155 1.00 45.23 H new ATOM 0 HE2 PHE A 25 1.781 -4.175 3.697 1.00 64.22 H new ATOM 0 HZ PHE A 25 2.255 -6.334 2.605 1.00 71.52 H new ATOM 374 N HIS A 26 3.371 0.180 0.967 1.00 23.01 N ATOM 375 CA HIS A 26 4.006 0.540 2.219 1.00 44.15 C ATOM 376 C HIS A 26 2.927 0.762 3.227 1.00 24.41 C ATOM 377 O HIS A 26 2.110 1.684 3.090 1.00 45.45 O ATOM 378 CB HIS A 26 4.934 1.770 2.113 1.00 50.35 C ATOM 379 CG HIS A 26 6.097 1.582 1.187 1.00 51.31 C ATOM 380 ND1 HIS A 26 6.386 2.438 0.151 1.00 54.52 N ATOM 381 CD2 HIS A 26 7.053 0.627 1.154 1.00 72.03 C ATOM 382 CE1 HIS A 26 7.459 2.014 -0.479 1.00 71.44 C ATOM 383 NE2 HIS A 26 7.884 0.921 0.107 1.00 4.43 N ATOM 0 H HIS A 26 2.671 0.847 0.644 1.00 23.01 H new ATOM 0 HA HIS A 26 4.662 -0.276 2.521 1.00 44.15 H new ATOM 0 HB2 HIS A 26 4.349 2.625 1.775 1.00 50.35 H new ATOM 0 HB3 HIS A 26 5.310 2.014 3.106 1.00 50.35 H new ATOM 0 HD2 HIS A 26 7.144 -0.212 1.828 1.00 72.03 H new ATOM 0 HE1 HIS A 26 7.914 2.487 -1.336 1.00 71.44 H new ATOM 0 HE2 HIS A 26 8.701 0.378 -0.172 1.00 4.43 H new ATOM 392 N TYR A 27 2.890 -0.096 4.209 1.00 64.02 N ATOM 393 CA TYR A 27 1.866 -0.079 5.205 1.00 51.53 C ATOM 394 C TYR A 27 2.216 0.940 6.260 1.00 71.34 C ATOM 395 O TYR A 27 3.068 0.705 7.118 1.00 61.40 O ATOM 396 CB TYR A 27 1.748 -1.463 5.807 1.00 71.01 C ATOM 397 CG TYR A 27 0.509 -1.646 6.598 1.00 42.21 C ATOM 398 CD1 TYR A 27 -0.696 -1.718 5.949 1.00 62.50 C ATOM 399 CD2 TYR A 27 0.529 -1.731 7.973 1.00 33.23 C ATOM 400 CE1 TYR A 27 -1.861 -1.872 6.626 1.00 41.24 C ATOM 401 CE2 TYR A 27 -0.637 -1.888 8.681 1.00 32.45 C ATOM 402 CZ TYR A 27 -1.837 -1.958 8.008 1.00 25.42 C ATOM 403 OH TYR A 27 -3.017 -2.118 8.721 1.00 21.04 O ATOM 0 H TYR A 27 3.582 -0.835 4.338 1.00 64.02 H new ATOM 0 HA TYR A 27 0.908 0.196 4.765 1.00 51.53 H new ATOM 0 HB2 TYR A 27 1.775 -2.204 5.008 1.00 71.01 H new ATOM 0 HB3 TYR A 27 2.611 -1.650 6.446 1.00 71.01 H new ATOM 0 HD1 TYR A 27 -0.718 -1.650 4.871 1.00 62.50 H new ATOM 0 HD2 TYR A 27 1.471 -1.674 8.499 1.00 33.23 H new ATOM 0 HE1 TYR A 27 -2.798 -1.927 6.093 1.00 41.24 H new ATOM 0 HE2 TYR A 27 -0.613 -1.956 9.759 1.00 32.45 H new ATOM 0 HH TYR A 27 -2.817 -2.161 9.679 1.00 21.04 H new ATOM 413 N LEU A 28 1.600 2.078 6.169 1.00 62.43 N ATOM 414 CA LEU A 28 1.904 3.169 7.039 1.00 42.34 C ATOM 415 C LEU A 28 0.763 3.473 7.978 1.00 12.23 C ATOM 416 O LEU A 28 -0.407 3.386 7.616 1.00 42.40 O ATOM 417 CB LEU A 28 2.315 4.387 6.232 1.00 61.20 C ATOM 418 CG LEU A 28 3.582 4.218 5.386 1.00 4.30 C ATOM 419 CD1 LEU A 28 3.907 5.498 4.678 1.00 22.41 C ATOM 420 CD2 LEU A 28 4.758 3.773 6.244 1.00 35.31 C ATOM 0 H LEU A 28 0.869 2.276 5.486 1.00 62.43 H new ATOM 0 HA LEU A 28 2.748 2.879 7.665 1.00 42.34 H new ATOM 0 HB2 LEU A 28 1.491 4.659 5.572 1.00 61.20 H new ATOM 0 HB3 LEU A 28 2.464 5.222 6.917 1.00 61.20 H new ATOM 0 HG LEU A 28 3.394 3.442 4.644 1.00 4.30 H new ATOM 0 HD11 LEU A 28 4.809 5.365 4.081 1.00 22.41 H new ATOM 0 HD12 LEU A 28 3.078 5.774 4.027 1.00 22.41 H new ATOM 0 HD13 LEU A 28 4.071 6.288 5.411 1.00 22.41 H new ATOM 0 HD21 LEU A 28 5.643 3.661 5.618 1.00 35.31 H new ATOM 0 HD22 LEU A 28 4.950 4.520 7.014 1.00 35.31 H new ATOM 0 HD23 LEU A 28 4.524 2.818 6.715 1.00 35.31 H new ATOM 432 N LEU A 29 1.117 3.832 9.176 1.00 11.04 N ATOM 433 CA LEU A 29 0.161 4.056 10.249 1.00 50.03 C ATOM 434 C LEU A 29 0.592 5.248 11.082 1.00 44.31 C ATOM 435 O LEU A 29 1.625 5.871 10.802 1.00 70.54 O ATOM 436 CB LEU A 29 0.114 2.822 11.160 1.00 32.41 C ATOM 437 CG LEU A 29 -0.348 1.504 10.545 1.00 12.31 C ATOM 438 CD1 LEU A 29 -0.241 0.398 11.573 1.00 61.54 C ATOM 439 CD2 LEU A 29 -1.777 1.610 10.029 1.00 42.44 C ATOM 0 H LEU A 29 2.088 3.983 9.451 1.00 11.04 H new ATOM 0 HA LEU A 29 -0.820 4.242 9.812 1.00 50.03 H new ATOM 0 HB2 LEU A 29 1.112 2.669 11.570 1.00 32.41 H new ATOM 0 HB3 LEU A 29 -0.543 3.049 11.999 1.00 32.41 H new ATOM 0 HG LEU A 29 0.296 1.273 9.697 1.00 12.31 H new ATOM 0 HD11 LEU A 29 -0.571 -0.542 11.132 1.00 61.54 H new ATOM 0 HD12 LEU A 29 0.795 0.302 11.898 1.00 61.54 H new ATOM 0 HD13 LEU A 29 -0.869 0.637 12.431 1.00 61.54 H new ATOM 0 HD21 LEU A 29 -2.079 0.656 9.596 1.00 42.44 H new ATOM 0 HD22 LEU A 29 -2.444 1.862 10.854 1.00 42.44 H new ATOM 0 HD23 LEU A 29 -1.832 2.388 9.267 1.00 42.44 H new ATOM 451 N ILE A 30 -0.161 5.545 12.133 1.00 33.04 N ATOM 452 CA ILE A 30 0.220 6.607 13.048 1.00 11.03 C ATOM 453 C ILE A 30 1.359 6.086 13.899 1.00 31.22 C ATOM 454 O ILE A 30 2.231 6.829 14.330 1.00 53.41 O ATOM 455 CB ILE A 30 -0.938 7.049 13.975 1.00 52.01 C ATOM 456 CG1 ILE A 30 -2.173 7.434 13.142 1.00 71.20 C ATOM 457 CG2 ILE A 30 -0.478 8.243 14.824 1.00 44.11 C ATOM 458 CD1 ILE A 30 -3.391 7.801 13.967 1.00 5.15 C ATOM 0 H ILE A 30 -1.031 5.069 12.370 1.00 33.04 H new ATOM 0 HA ILE A 30 0.506 7.480 12.461 1.00 11.03 H new ATOM 0 HB ILE A 30 -1.211 6.222 14.630 1.00 52.01 H new ATOM 0 HG12 ILE A 30 -1.916 8.277 12.500 1.00 71.20 H new ATOM 0 HG13 ILE A 30 -2.429 6.601 12.487 1.00 71.20 H new ATOM 0 HG21 ILE A 30 -1.290 8.558 15.479 1.00 44.11 H new ATOM 0 HG22 ILE A 30 0.382 7.951 15.427 1.00 44.11 H new ATOM 0 HG23 ILE A 30 -0.198 9.069 14.170 1.00 44.11 H new ATOM 0 HD11 ILE A 30 -4.216 8.059 13.303 1.00 5.15 H new ATOM 0 HD12 ILE A 30 -3.678 6.953 14.589 1.00 5.15 H new ATOM 0 HD13 ILE A 30 -3.156 8.655 14.603 1.00 5.15 H new ATOM 470 N LYS A 31 1.350 4.767 14.104 1.00 20.51 N ATOM 471 CA LYS A 31 2.408 4.066 14.831 1.00 40.14 C ATOM 472 C LYS A 31 3.749 4.213 14.117 1.00 4.34 C ATOM 473 O LYS A 31 4.814 4.016 14.715 1.00 13.52 O ATOM 474 CB LYS A 31 2.057 2.590 14.997 1.00 1.22 C ATOM 475 CG LYS A 31 0.787 2.350 15.785 1.00 63.40 C ATOM 476 CD LYS A 31 0.495 0.876 15.919 1.00 72.52 C ATOM 477 CE LYS A 31 -0.797 0.633 16.678 1.00 54.11 C ATOM 478 NZ LYS A 31 -1.061 -0.810 16.855 1.00 42.13 N ATOM 0 H LYS A 31 0.606 4.154 13.769 1.00 20.51 H new ATOM 0 HA LYS A 31 2.494 4.518 15.819 1.00 40.14 H new ATOM 0 HB2 LYS A 31 1.953 2.138 14.011 1.00 1.22 H new ATOM 0 HB3 LYS A 31 2.884 2.083 15.495 1.00 1.22 H new ATOM 0 HG2 LYS A 31 0.881 2.796 16.775 1.00 63.40 H new ATOM 0 HG3 LYS A 31 -0.049 2.845 15.291 1.00 63.40 H new ATOM 0 HD2 LYS A 31 0.427 0.426 14.929 1.00 72.52 H new ATOM 0 HD3 LYS A 31 1.320 0.386 16.436 1.00 72.52 H new ATOM 0 HE2 LYS A 31 -0.743 1.116 17.654 1.00 54.11 H new ATOM 0 HE3 LYS A 31 -1.627 1.092 16.141 1.00 54.11 H new ATOM 0 HZ1 LYS A 31 -1.951 -0.939 17.377 1.00 42.13 H new ATOM 0 HZ2 LYS A 31 -1.137 -1.266 15.923 1.00 42.13 H new ATOM 0 HZ3 LYS A 31 -0.281 -1.243 17.389 1.00 42.13 H new ATOM 492 N ASP A 32 3.687 4.536 12.831 1.00 23.30 N ATOM 493 CA ASP A 32 4.878 4.827 12.061 1.00 54.22 C ATOM 494 C ASP A 32 5.292 6.254 12.379 1.00 10.14 C ATOM 495 O ASP A 32 6.448 6.532 12.701 1.00 5.53 O ATOM 496 CB ASP A 32 4.615 4.676 10.561 1.00 1.53 C ATOM 497 CG ASP A 32 5.863 4.893 9.729 1.00 35.51 C ATOM 498 OD1 ASP A 32 6.583 3.910 9.468 1.00 51.04 O ATOM 499 OD2 ASP A 32 6.135 6.042 9.324 1.00 53.00 O ATOM 0 H ASP A 32 2.817 4.602 12.302 1.00 23.30 H new ATOM 0 HA ASP A 32 5.670 4.126 12.323 1.00 54.22 H new ATOM 0 HB2 ASP A 32 4.219 3.680 10.363 1.00 1.53 H new ATOM 0 HB3 ASP A 32 3.850 5.390 10.256 1.00 1.53 H new ATOM 504 N GLY A 33 4.331 7.159 12.298 1.00 14.25 N ATOM 505 CA GLY A 33 4.573 8.530 12.698 1.00 10.31 C ATOM 506 C GLY A 33 3.989 9.557 11.761 1.00 33.32 C ATOM 507 O GLY A 33 4.690 10.477 11.313 1.00 12.32 O ATOM 0 H GLY A 33 3.387 6.970 11.962 1.00 14.25 H new ATOM 0 HA2 GLY A 33 4.158 8.685 13.694 1.00 10.31 H new ATOM 0 HA3 GLY A 33 5.648 8.691 12.772 1.00 10.31 H new ATOM 511 N CYS A 34 2.728 9.402 11.461 1.00 64.13 N ATOM 512 CA CYS A 34 1.976 10.344 10.665 1.00 72.24 C ATOM 513 C CYS A 34 0.566 10.367 11.191 1.00 75.53 C ATOM 514 O CYS A 34 0.067 9.336 11.633 1.00 63.02 O ATOM 515 CB CYS A 34 1.978 9.973 9.169 1.00 23.31 C ATOM 516 SG CYS A 34 3.605 10.104 8.345 1.00 31.32 S ATOM 0 H CYS A 34 2.179 8.600 11.769 1.00 64.13 H new ATOM 0 HA CYS A 34 2.441 11.327 10.743 1.00 72.24 H new ATOM 0 HB2 CYS A 34 1.615 8.951 9.063 1.00 23.31 H new ATOM 0 HB3 CYS A 34 1.271 10.619 8.649 1.00 23.31 H new ATOM 521 N ARG A 35 -0.063 11.526 11.167 1.00 53.24 N ATOM 522 CA ARG A 35 -1.420 11.699 11.681 1.00 70.23 C ATOM 523 C ARG A 35 -2.423 10.872 10.873 1.00 34.13 C ATOM 524 O ARG A 35 -3.446 10.404 11.403 1.00 54.24 O ATOM 525 CB ARG A 35 -1.804 13.181 11.641 1.00 55.05 C ATOM 526 CG ARG A 35 -3.198 13.475 12.154 1.00 13.11 C ATOM 527 CD ARG A 35 -3.512 14.950 12.094 1.00 22.12 C ATOM 528 NE ARG A 35 -4.867 15.224 12.570 1.00 11.34 N ATOM 529 CZ ARG A 35 -5.286 16.396 13.041 1.00 63.31 C ATOM 530 NH1 ARG A 35 -4.477 17.450 13.030 1.00 62.04 N ATOM 531 NH2 ARG A 35 -6.529 16.523 13.488 1.00 52.45 N ATOM 0 H ARG A 35 0.348 12.380 10.791 1.00 53.24 H new ATOM 0 HA ARG A 35 -1.446 11.347 12.712 1.00 70.23 H new ATOM 0 HB2 ARG A 35 -1.084 13.747 12.232 1.00 55.05 H new ATOM 0 HB3 ARG A 35 -1.724 13.538 10.614 1.00 55.05 H new ATOM 0 HG2 ARG A 35 -3.928 12.923 11.563 1.00 13.11 H new ATOM 0 HG3 ARG A 35 -3.290 13.124 13.182 1.00 13.11 H new ATOM 0 HD2 ARG A 35 -2.793 15.502 12.699 1.00 22.12 H new ATOM 0 HD3 ARG A 35 -3.405 15.305 11.069 1.00 22.12 H new ATOM 0 HE ARG A 35 -5.542 14.460 12.539 1.00 11.34 H new ATOM 0 HH11 ARG A 35 -3.531 17.363 12.660 1.00 62.04 H new ATOM 0 HH12 ARG A 35 -4.802 18.346 13.392 1.00 62.04 H new ATOM 0 HH21 ARG A 35 -7.162 15.723 13.470 1.00 52.45 H new ATOM 0 HH22 ARG A 35 -6.852 17.421 13.849 1.00 52.45 H new ATOM 545 N VAL A 36 -2.122 10.699 9.614 1.00 4.14 N ATOM 546 CA VAL A 36 -2.957 9.953 8.713 1.00 0.30 C ATOM 547 C VAL A 36 -2.419 8.517 8.495 1.00 24.51 C ATOM 548 O VAL A 36 -1.326 8.317 7.940 1.00 62.02 O ATOM 549 CB VAL A 36 -3.129 10.707 7.350 1.00 31.23 C ATOM 550 CG1 VAL A 36 -1.782 11.051 6.716 1.00 34.21 C ATOM 551 CG2 VAL A 36 -3.995 9.913 6.378 1.00 0.02 C ATOM 0 H VAL A 36 -1.280 11.077 9.180 1.00 4.14 H new ATOM 0 HA VAL A 36 -3.941 9.865 9.174 1.00 0.30 H new ATOM 0 HB VAL A 36 -3.640 11.644 7.570 1.00 31.23 H new ATOM 0 HG11 VAL A 36 -1.946 11.573 5.773 1.00 34.21 H new ATOM 0 HG12 VAL A 36 -1.215 11.692 7.391 1.00 34.21 H new ATOM 0 HG13 VAL A 36 -1.222 10.134 6.531 1.00 34.21 H new ATOM 0 HG21 VAL A 36 -4.093 10.465 5.443 1.00 0.02 H new ATOM 0 HG22 VAL A 36 -3.530 8.947 6.181 1.00 0.02 H new ATOM 0 HG23 VAL A 36 -4.982 9.758 6.813 1.00 0.02 H new ATOM 561 N PRO A 37 -3.159 7.504 8.969 1.00 41.41 N ATOM 562 CA PRO A 37 -2.815 6.125 8.731 1.00 10.32 C ATOM 563 C PRO A 37 -3.391 5.667 7.388 1.00 41.13 C ATOM 564 O PRO A 37 -4.590 5.870 7.104 1.00 34.53 O ATOM 565 CB PRO A 37 -3.480 5.382 9.894 1.00 0.03 C ATOM 566 CG PRO A 37 -4.644 6.237 10.304 1.00 10.22 C ATOM 567 CD PRO A 37 -4.383 7.636 9.783 1.00 61.44 C ATOM 0 HA PRO A 37 -1.741 5.948 8.682 1.00 10.32 H new ATOM 0 HB2 PRO A 37 -3.811 4.390 9.588 1.00 0.03 H new ATOM 0 HB3 PRO A 37 -2.784 5.245 10.721 1.00 0.03 H new ATOM 0 HG2 PRO A 37 -5.574 5.842 9.894 1.00 10.22 H new ATOM 0 HG3 PRO A 37 -4.751 6.245 11.389 1.00 10.22 H new ATOM 0 HD2 PRO A 37 -5.219 8.000 9.186 1.00 61.44 H new ATOM 0 HD3 PRO A 37 -4.242 8.344 10.600 1.00 61.44 H new ATOM 575 N ALA A 38 -2.560 5.060 6.575 1.00 71.43 N ATOM 576 CA ALA A 38 -2.956 4.636 5.260 1.00 30.43 C ATOM 577 C ALA A 38 -1.886 3.782 4.657 1.00 61.25 C ATOM 578 O ALA A 38 -0.698 4.008 4.887 1.00 24.25 O ATOM 579 CB ALA A 38 -3.197 5.846 4.355 1.00 3.52 C ATOM 0 H ALA A 38 -1.590 4.847 6.810 1.00 71.43 H new ATOM 0 HA ALA A 38 -3.880 4.065 5.348 1.00 30.43 H new ATOM 0 HB1 ALA A 38 -3.496 5.505 3.364 1.00 3.52 H new ATOM 0 HB2 ALA A 38 -3.987 6.466 4.779 1.00 3.52 H new ATOM 0 HB3 ALA A 38 -2.280 6.430 4.277 1.00 3.52 H new ATOM 585 N VAL A 39 -2.281 2.830 3.883 1.00 42.14 N ATOM 586 CA VAL A 39 -1.337 2.026 3.192 1.00 43.51 C ATOM 587 C VAL A 39 -1.233 2.569 1.799 1.00 14.41 C ATOM 588 O VAL A 39 -2.250 2.791 1.125 1.00 53.33 O ATOM 589 CB VAL A 39 -1.708 0.500 3.197 1.00 54.14 C ATOM 590 CG1 VAL A 39 -3.081 0.235 2.612 1.00 54.13 C ATOM 591 CG2 VAL A 39 -0.661 -0.322 2.459 1.00 74.03 C ATOM 0 H VAL A 39 -3.258 2.590 3.713 1.00 42.14 H new ATOM 0 HA VAL A 39 -0.374 2.076 3.701 1.00 43.51 H new ATOM 0 HB VAL A 39 -1.730 0.193 4.243 1.00 54.14 H new ATOM 0 HG11 VAL A 39 -3.288 -0.835 2.639 1.00 54.13 H new ATOM 0 HG12 VAL A 39 -3.834 0.765 3.196 1.00 54.13 H new ATOM 0 HG13 VAL A 39 -3.110 0.584 1.580 1.00 54.13 H new ATOM 0 HG21 VAL A 39 -0.944 -1.374 2.479 1.00 74.03 H new ATOM 0 HG22 VAL A 39 -0.595 0.017 1.425 1.00 74.03 H new ATOM 0 HG23 VAL A 39 0.307 -0.198 2.944 1.00 74.03 H new ATOM 601 N VAL A 40 -0.042 2.868 1.388 1.00 50.50 N ATOM 602 CA VAL A 40 0.130 3.411 0.112 1.00 22.53 C ATOM 603 C VAL A 40 0.336 2.304 -0.878 1.00 14.12 C ATOM 604 O VAL A 40 1.146 1.380 -0.659 1.00 63.31 O ATOM 605 CB VAL A 40 1.292 4.441 0.037 1.00 42.12 C ATOM 606 CG1 VAL A 40 1.143 5.516 1.086 1.00 34.33 C ATOM 607 CG2 VAL A 40 2.652 3.799 0.109 1.00 1.02 C ATOM 0 H VAL A 40 0.814 2.740 1.928 1.00 50.50 H new ATOM 0 HA VAL A 40 -0.777 3.964 -0.132 1.00 22.53 H new ATOM 0 HB VAL A 40 1.221 4.909 -0.945 1.00 42.12 H new ATOM 0 HG11 VAL A 40 1.972 6.220 1.006 1.00 34.33 H new ATOM 0 HG12 VAL A 40 0.202 6.045 0.934 1.00 34.33 H new ATOM 0 HG13 VAL A 40 1.148 5.061 2.076 1.00 34.33 H new ATOM 0 HG21 VAL A 40 3.421 4.569 0.052 1.00 1.02 H new ATOM 0 HG22 VAL A 40 2.750 3.258 1.050 1.00 1.02 H new ATOM 0 HG23 VAL A 40 2.771 3.105 -0.723 1.00 1.02 H new ATOM 617 N PHE A 41 -0.421 2.339 -1.900 1.00 10.34 N ATOM 618 CA PHE A 41 -0.251 1.426 -2.957 1.00 41.54 C ATOM 619 C PHE A 41 0.567 2.059 -4.031 1.00 14.13 C ATOM 620 O PHE A 41 0.148 3.043 -4.634 1.00 13.31 O ATOM 621 CB PHE A 41 -1.583 0.918 -3.515 1.00 65.43 C ATOM 622 CG PHE A 41 -2.325 -0.032 -2.613 1.00 4.41 C ATOM 623 CD1 PHE A 41 -1.671 -1.113 -2.042 1.00 12.22 C ATOM 624 CD2 PHE A 41 -3.674 0.120 -2.380 1.00 23.01 C ATOM 625 CE1 PHE A 41 -2.342 -2.017 -1.260 1.00 61.44 C ATOM 626 CE2 PHE A 41 -4.355 -0.779 -1.587 1.00 72.02 C ATOM 627 CZ PHE A 41 -3.682 -1.854 -1.028 1.00 30.55 C ATOM 0 H PHE A 41 -1.182 3.006 -2.030 1.00 10.34 H new ATOM 0 HA PHE A 41 0.270 0.553 -2.564 1.00 41.54 H new ATOM 0 HB2 PHE A 41 -2.224 1.775 -3.723 1.00 65.43 H new ATOM 0 HB3 PHE A 41 -1.396 0.421 -4.467 1.00 65.43 H new ATOM 0 HD1 PHE A 41 -0.613 -1.245 -2.217 1.00 12.22 H new ATOM 0 HD2 PHE A 41 -4.203 0.951 -2.823 1.00 23.01 H new ATOM 0 HE1 PHE A 41 -1.816 -2.855 -0.828 1.00 61.44 H new ATOM 0 HE2 PHE A 41 -5.411 -0.646 -1.402 1.00 72.02 H new ATOM 0 HZ PHE A 41 -4.214 -2.562 -0.410 1.00 30.55 H new ATOM 637 N THR A 42 1.742 1.528 -4.234 1.00 51.25 N ATOM 638 CA THR A 42 2.613 1.979 -5.267 1.00 13.40 C ATOM 639 C THR A 42 2.216 1.266 -6.537 1.00 34.40 C ATOM 640 O THR A 42 2.473 0.067 -6.696 1.00 62.52 O ATOM 641 CB THR A 42 4.089 1.675 -4.921 1.00 23.35 C ATOM 642 OG1 THR A 42 4.458 2.370 -3.718 1.00 43.21 O ATOM 643 CG2 THR A 42 5.017 2.084 -6.055 1.00 51.34 C ATOM 0 H THR A 42 2.119 0.762 -3.676 1.00 51.25 H new ATOM 0 HA THR A 42 2.525 3.059 -5.385 1.00 13.40 H new ATOM 0 HB THR A 42 4.189 0.600 -4.771 1.00 23.35 H new ATOM 0 HG1 THR A 42 4.671 3.302 -3.931 1.00 43.21 H new ATOM 0 HG21 THR A 42 6.048 1.858 -5.781 1.00 51.34 H new ATOM 0 HG22 THR A 42 4.752 1.534 -6.958 1.00 51.34 H new ATOM 0 HG23 THR A 42 4.917 3.154 -6.239 1.00 51.34 H new ATOM 651 N THR A 43 1.562 1.974 -7.408 1.00 43.20 N ATOM 652 CA THR A 43 1.042 1.406 -8.606 1.00 34.40 C ATOM 653 C THR A 43 2.137 1.021 -9.600 1.00 51.21 C ATOM 654 O THR A 43 3.328 1.281 -9.372 1.00 1.54 O ATOM 655 CB THR A 43 0.039 2.357 -9.256 1.00 43.45 C ATOM 656 OG1 THR A 43 0.671 3.629 -9.511 1.00 54.11 O ATOM 657 CG2 THR A 43 -1.171 2.552 -8.349 1.00 4.15 C ATOM 0 H THR A 43 1.375 2.971 -7.302 1.00 43.20 H new ATOM 0 HA THR A 43 0.533 0.484 -8.325 1.00 34.40 H new ATOM 0 HB THR A 43 -0.297 1.925 -10.199 1.00 43.45 H new ATOM 0 HG1 THR A 43 0.026 4.237 -9.929 1.00 54.11 H new ATOM 0 HG21 THR A 43 -1.877 3.232 -8.825 1.00 4.15 H new ATOM 0 HG22 THR A 43 -1.654 1.591 -8.175 1.00 4.15 H new ATOM 0 HG23 THR A 43 -0.848 2.973 -7.397 1.00 4.15 H new ATOM 665 N LEU A 44 1.733 0.400 -10.693 1.00 13.24 N ATOM 666 CA LEU A 44 2.623 0.005 -11.760 1.00 62.40 C ATOM 667 C LEU A 44 3.309 1.224 -12.368 1.00 71.32 C ATOM 668 O LEU A 44 4.413 1.138 -12.898 1.00 71.34 O ATOM 669 CB LEU A 44 1.823 -0.725 -12.822 1.00 64.51 C ATOM 670 CG LEU A 44 1.113 -2.011 -12.379 1.00 53.43 C ATOM 671 CD1 LEU A 44 0.336 -2.616 -13.530 1.00 53.52 C ATOM 672 CD2 LEU A 44 2.108 -3.020 -11.819 1.00 71.10 C ATOM 0 H LEU A 44 0.758 0.153 -10.863 1.00 13.24 H new ATOM 0 HA LEU A 44 3.394 -0.653 -11.360 1.00 62.40 H new ATOM 0 HB2 LEU A 44 1.073 -0.039 -13.216 1.00 64.51 H new ATOM 0 HB3 LEU A 44 2.493 -0.971 -13.645 1.00 64.51 H new ATOM 0 HG LEU A 44 0.411 -1.751 -11.586 1.00 53.43 H new ATOM 0 HD11 LEU A 44 -0.160 -3.527 -13.195 1.00 53.52 H new ATOM 0 HD12 LEU A 44 -0.411 -1.903 -13.879 1.00 53.52 H new ATOM 0 HD13 LEU A 44 1.019 -2.854 -14.345 1.00 53.52 H new ATOM 0 HD21 LEU A 44 1.578 -3.922 -11.513 1.00 71.10 H new ATOM 0 HD22 LEU A 44 2.841 -3.272 -12.586 1.00 71.10 H new ATOM 0 HD23 LEU A 44 2.618 -2.589 -10.958 1.00 71.10 H new ATOM 684 N ARG A 45 2.643 2.357 -12.281 1.00 73.23 N ATOM 685 CA ARG A 45 3.195 3.614 -12.756 1.00 63.32 C ATOM 686 C ARG A 45 4.187 4.196 -11.720 1.00 13.34 C ATOM 687 O ARG A 45 4.954 5.113 -12.017 1.00 22.20 O ATOM 688 CB ARG A 45 2.062 4.618 -13.037 1.00 23.32 C ATOM 689 CG ARG A 45 2.524 5.939 -13.633 1.00 52.34 C ATOM 690 CD ARG A 45 3.182 5.733 -14.983 1.00 62.03 C ATOM 691 NE ARG A 45 3.691 6.979 -15.537 1.00 11.12 N ATOM 692 CZ ARG A 45 4.078 7.148 -16.798 1.00 45.42 C ATOM 693 NH1 ARG A 45 3.925 6.160 -17.677 1.00 63.54 N ATOM 694 NH2 ARG A 45 4.602 8.309 -17.186 1.00 41.30 N ATOM 0 H ARG A 45 1.708 2.435 -11.881 1.00 73.23 H new ATOM 0 HA ARG A 45 3.736 3.428 -13.684 1.00 63.32 H new ATOM 0 HB2 ARG A 45 1.346 4.157 -13.718 1.00 23.32 H new ATOM 0 HB3 ARG A 45 1.533 4.819 -12.106 1.00 23.32 H new ATOM 0 HG2 ARG A 45 1.672 6.610 -13.740 1.00 52.34 H new ATOM 0 HG3 ARG A 45 3.226 6.421 -12.953 1.00 52.34 H new ATOM 0 HD2 ARG A 45 4.000 5.020 -14.883 1.00 62.03 H new ATOM 0 HD3 ARG A 45 2.462 5.296 -15.675 1.00 62.03 H new ATOM 0 HE ARG A 45 3.756 7.782 -14.912 1.00 11.12 H new ATOM 0 HH11 ARG A 45 3.511 5.275 -17.383 1.00 63.54 H new ATOM 0 HH12 ARG A 45 4.221 6.288 -18.645 1.00 63.54 H new ATOM 0 HH21 ARG A 45 4.707 9.071 -16.516 1.00 41.30 H new ATOM 0 HH22 ARG A 45 4.898 8.437 -18.154 1.00 41.30 H new ATOM 708 N GLY A 46 4.164 3.665 -10.515 1.00 30.02 N ATOM 709 CA GLY A 46 5.071 4.137 -9.496 1.00 42.33 C ATOM 710 C GLY A 46 4.459 5.205 -8.625 1.00 14.52 C ATOM 711 O GLY A 46 5.168 5.938 -7.939 1.00 23.05 O ATOM 0 H GLY A 46 3.536 2.917 -10.222 1.00 30.02 H new ATOM 0 HA2 GLY A 46 5.380 3.298 -8.873 1.00 42.33 H new ATOM 0 HA3 GLY A 46 5.971 4.531 -9.969 1.00 42.33 H new ATOM 715 N ARG A 47 3.158 5.316 -8.665 1.00 30.53 N ATOM 716 CA ARG A 47 2.467 6.316 -7.880 1.00 10.31 C ATOM 717 C ARG A 47 1.978 5.732 -6.598 1.00 65.15 C ATOM 718 O ARG A 47 1.488 4.618 -6.573 1.00 42.34 O ATOM 719 CB ARG A 47 1.289 6.893 -8.648 1.00 2.41 C ATOM 720 CG ARG A 47 1.674 7.664 -9.885 1.00 3.23 C ATOM 721 CD ARG A 47 2.477 8.912 -9.559 1.00 70.45 C ATOM 722 NE ARG A 47 2.820 9.661 -10.771 1.00 74.13 N ATOM 723 CZ ARG A 47 3.560 10.778 -10.813 1.00 53.03 C ATOM 724 NH1 ARG A 47 4.074 11.296 -9.696 1.00 54.32 N ATOM 725 NH2 ARG A 47 3.799 11.364 -11.974 1.00 35.13 N ATOM 0 H ARG A 47 2.550 4.727 -9.233 1.00 30.53 H new ATOM 0 HA ARG A 47 3.177 7.115 -7.666 1.00 10.31 H new ATOM 0 HB2 ARG A 47 0.623 6.079 -8.934 1.00 2.41 H new ATOM 0 HB3 ARG A 47 0.725 7.549 -7.986 1.00 2.41 H new ATOM 0 HG2 ARG A 47 2.257 7.021 -10.544 1.00 3.23 H new ATOM 0 HG3 ARG A 47 0.773 7.946 -10.430 1.00 3.23 H new ATOM 0 HD2 ARG A 47 1.904 9.549 -8.886 1.00 70.45 H new ATOM 0 HD3 ARG A 47 3.389 8.632 -9.033 1.00 70.45 H new ATOM 0 HE ARG A 47 2.466 9.302 -11.658 1.00 74.13 H new ATOM 0 HH11 ARG A 47 3.905 10.842 -8.799 1.00 54.32 H new ATOM 0 HH12 ARG A 47 4.636 12.146 -9.740 1.00 54.32 H new ATOM 0 HH21 ARG A 47 3.421 10.966 -12.834 1.00 35.13 H new ATOM 0 HH22 ARG A 47 4.362 12.214 -12.010 1.00 35.13 H new ATOM 739 N GLN A 48 2.121 6.482 -5.552 1.00 51.43 N ATOM 740 CA GLN A 48 1.633 6.086 -4.242 1.00 51.14 C ATOM 741 C GLN A 48 0.246 6.639 -4.039 1.00 51.20 C ATOM 742 O GLN A 48 0.029 7.846 -4.169 1.00 55.41 O ATOM 743 CB GLN A 48 2.546 6.586 -3.099 1.00 14.53 C ATOM 744 CG GLN A 48 3.898 5.877 -2.930 1.00 21.23 C ATOM 745 CD GLN A 48 4.832 5.974 -4.117 1.00 63.31 C ATOM 746 OE1 GLN A 48 4.816 5.128 -5.001 1.00 23.42 O ATOM 747 NE2 GLN A 48 5.663 6.987 -4.130 1.00 64.31 N ATOM 0 H GLN A 48 2.580 7.393 -5.568 1.00 51.43 H new ATOM 0 HA GLN A 48 1.626 4.996 -4.211 1.00 51.14 H new ATOM 0 HB2 GLN A 48 2.737 7.648 -3.257 1.00 14.53 H new ATOM 0 HB3 GLN A 48 1.996 6.497 -2.162 1.00 14.53 H new ATOM 0 HG2 GLN A 48 4.401 6.293 -2.058 1.00 21.23 H new ATOM 0 HG3 GLN A 48 3.713 4.824 -2.719 1.00 21.23 H new ATOM 0 HE21 GLN A 48 5.645 7.671 -3.374 1.00 64.31 H new ATOM 0 HE22 GLN A 48 6.328 7.091 -4.896 1.00 64.31 H new ATOM 756 N LEU A 49 -0.690 5.787 -3.728 1.00 43.12 N ATOM 757 CA LEU A 49 -2.049 6.232 -3.525 1.00 34.50 C ATOM 758 C LEU A 49 -2.521 5.701 -2.173 1.00 63.31 C ATOM 759 O LEU A 49 -2.177 4.580 -1.787 1.00 22.24 O ATOM 760 CB LEU A 49 -2.940 5.747 -4.700 1.00 42.31 C ATOM 761 CG LEU A 49 -4.301 6.477 -4.963 1.00 25.02 C ATOM 762 CD1 LEU A 49 -5.297 6.352 -3.832 1.00 72.33 C ATOM 763 CD2 LEU A 49 -4.070 7.938 -5.316 1.00 40.14 C ATOM 0 H LEU A 49 -0.543 4.785 -3.609 1.00 43.12 H new ATOM 0 HA LEU A 49 -2.114 7.320 -3.511 1.00 34.50 H new ATOM 0 HB2 LEU A 49 -2.348 5.813 -5.613 1.00 42.31 H new ATOM 0 HB3 LEU A 49 -3.157 4.691 -4.536 1.00 42.31 H new ATOM 0 HG LEU A 49 -4.751 5.964 -5.813 1.00 25.02 H new ATOM 0 HD11 LEU A 49 -6.212 6.884 -4.092 1.00 72.33 H new ATOM 0 HD12 LEU A 49 -5.525 5.300 -3.663 1.00 72.33 H new ATOM 0 HD13 LEU A 49 -4.873 6.782 -2.925 1.00 72.33 H new ATOM 0 HD21 LEU A 49 -5.029 8.425 -5.494 1.00 40.14 H new ATOM 0 HD22 LEU A 49 -3.558 8.435 -4.492 1.00 40.14 H new ATOM 0 HD23 LEU A 49 -3.457 8.003 -6.215 1.00 40.14 H new ATOM 775 N CYS A 50 -3.278 6.507 -1.469 1.00 54.41 N ATOM 776 CA CYS A 50 -3.707 6.210 -0.112 1.00 61.44 C ATOM 777 C CYS A 50 -4.924 5.268 -0.108 1.00 14.44 C ATOM 778 O CYS A 50 -5.959 5.605 -0.691 1.00 34.04 O ATOM 779 CB CYS A 50 -4.159 7.516 0.530 1.00 5.34 C ATOM 780 SG CYS A 50 -3.137 8.981 0.170 1.00 75.41 S ATOM 0 H CYS A 50 -3.621 7.401 -1.821 1.00 54.41 H new ATOM 0 HA CYS A 50 -2.879 5.741 0.420 1.00 61.44 H new ATOM 0 HB2 CYS A 50 -5.180 7.722 0.207 1.00 5.34 H new ATOM 0 HB3 CYS A 50 -4.188 7.375 1.610 1.00 5.34 H new ATOM 785 N ALA A 51 -4.824 4.117 0.550 1.00 23.43 N ATOM 786 CA ALA A 51 -5.986 3.241 0.681 1.00 43.02 C ATOM 787 C ALA A 51 -6.249 2.871 2.146 1.00 43.21 C ATOM 788 O ALA A 51 -5.311 2.871 2.964 1.00 5.14 O ATOM 789 CB ALA A 51 -5.885 2.030 -0.224 1.00 20.45 C ATOM 0 H ALA A 51 -3.971 3.773 0.992 1.00 23.43 H new ATOM 0 HA ALA A 51 -6.859 3.799 0.342 1.00 43.02 H new ATOM 0 HB1 ALA A 51 -6.769 1.405 -0.096 1.00 20.45 H new ATOM 0 HB2 ALA A 51 -5.819 2.356 -1.262 1.00 20.45 H new ATOM 0 HB3 ALA A 51 -4.995 1.456 0.034 1.00 20.45 H new ATOM 795 N PRO A 52 -7.534 2.568 2.512 1.00 51.33 N ATOM 796 CA PRO A 52 -7.929 2.325 3.910 1.00 70.24 C ATOM 797 C PRO A 52 -7.446 0.968 4.460 1.00 45.13 C ATOM 798 O PRO A 52 -7.922 -0.082 4.050 1.00 23.31 O ATOM 799 CB PRO A 52 -9.461 2.348 3.836 1.00 41.02 C ATOM 800 CG PRO A 52 -9.762 1.837 2.467 1.00 11.20 C ATOM 801 CD PRO A 52 -8.699 2.407 1.589 1.00 13.32 C ATOM 0 HA PRO A 52 -7.490 3.061 4.584 1.00 70.24 H new ATOM 0 HB2 PRO A 52 -9.908 1.718 4.605 1.00 41.02 H new ATOM 0 HB3 PRO A 52 -9.853 3.355 3.982 1.00 41.02 H new ATOM 0 HG2 PRO A 52 -9.749 0.747 2.443 1.00 11.20 H new ATOM 0 HG3 PRO A 52 -10.753 2.152 2.139 1.00 11.20 H new ATOM 0 HD2 PRO A 52 -8.464 1.741 0.759 1.00 13.32 H new ATOM 0 HD3 PRO A 52 -9.004 3.360 1.157 1.00 13.32 H new ATOM 809 N PRO A 53 -6.515 0.975 5.424 1.00 11.30 N ATOM 810 CA PRO A 53 -5.967 -0.266 5.994 1.00 10.21 C ATOM 811 C PRO A 53 -6.984 -0.971 6.899 1.00 63.43 C ATOM 812 O PRO A 53 -6.785 -2.116 7.331 1.00 64.44 O ATOM 813 CB PRO A 53 -4.768 0.226 6.812 1.00 70.25 C ATOM 814 CG PRO A 53 -5.101 1.631 7.178 1.00 52.23 C ATOM 815 CD PRO A 53 -5.923 2.181 6.044 1.00 60.04 C ATOM 0 HA PRO A 53 -5.704 -0.997 5.230 1.00 10.21 H new ATOM 0 HB2 PRO A 53 -4.617 -0.388 7.700 1.00 70.25 H new ATOM 0 HB3 PRO A 53 -3.847 0.177 6.231 1.00 70.25 H new ATOM 0 HG2 PRO A 53 -5.658 1.667 8.114 1.00 52.23 H new ATOM 0 HG3 PRO A 53 -4.195 2.220 7.323 1.00 52.23 H new ATOM 0 HD2 PRO A 53 -6.692 2.866 6.402 1.00 60.04 H new ATOM 0 HD3 PRO A 53 -5.308 2.735 5.335 1.00 60.04 H new ATOM 823 N ASP A 54 -8.064 -0.276 7.171 1.00 33.31 N ATOM 824 CA ASP A 54 -9.131 -0.769 8.019 1.00 54.22 C ATOM 825 C ASP A 54 -10.218 -1.472 7.200 1.00 41.02 C ATOM 826 O ASP A 54 -11.011 -2.243 7.732 1.00 3.21 O ATOM 827 CB ASP A 54 -9.723 0.403 8.804 1.00 0.35 C ATOM 828 CG ASP A 54 -10.865 0.017 9.717 1.00 45.11 C ATOM 829 OD1 ASP A 54 -10.604 -0.506 10.824 1.00 11.43 O ATOM 830 OD2 ASP A 54 -12.036 0.242 9.347 1.00 22.34 O ATOM 0 H ASP A 54 -8.231 0.661 6.805 1.00 33.31 H new ATOM 0 HA ASP A 54 -8.721 -1.506 8.710 1.00 54.22 H new ATOM 0 HB2 ASP A 54 -8.935 0.863 9.400 1.00 0.35 H new ATOM 0 HB3 ASP A 54 -10.073 1.158 8.100 1.00 0.35 H new ATOM 835 N GLN A 55 -10.244 -1.223 5.905 1.00 73.31 N ATOM 836 CA GLN A 55 -11.275 -1.800 5.064 1.00 4.02 C ATOM 837 C GLN A 55 -10.885 -3.155 4.496 1.00 14.13 C ATOM 838 O GLN A 55 -9.776 -3.328 3.972 1.00 44.41 O ATOM 839 CB GLN A 55 -11.731 -0.842 3.977 1.00 42.42 C ATOM 840 CG GLN A 55 -12.461 0.381 4.512 1.00 12.31 C ATOM 841 CD GLN A 55 -13.711 0.011 5.289 1.00 74.14 C ATOM 842 OE1 GLN A 55 -14.799 -0.114 4.717 1.00 54.33 O ATOM 843 NE2 GLN A 55 -13.582 -0.151 6.587 1.00 31.43 N ATOM 0 H GLN A 55 -9.571 -0.632 5.416 1.00 73.31 H new ATOM 0 HA GLN A 55 -12.130 -1.976 5.717 1.00 4.02 H new ATOM 0 HB2 GLN A 55 -10.863 -0.515 3.404 1.00 42.42 H new ATOM 0 HB3 GLN A 55 -12.386 -1.373 3.287 1.00 42.42 H new ATOM 0 HG2 GLN A 55 -11.790 0.949 5.156 1.00 12.31 H new ATOM 0 HG3 GLN A 55 -12.732 1.032 3.681 1.00 12.31 H new ATOM 0 HE21 GLN A 55 -12.668 -0.040 7.026 1.00 31.43 H new ATOM 0 HE22 GLN A 55 -14.396 -0.388 7.155 1.00 31.43 H new ATOM 852 N PRO A 56 -11.823 -4.128 4.594 1.00 13.03 N ATOM 853 CA PRO A 56 -11.633 -5.519 4.166 1.00 75.21 C ATOM 854 C PRO A 56 -10.965 -5.710 2.805 1.00 53.41 C ATOM 855 O PRO A 56 -10.065 -6.541 2.681 1.00 51.33 O ATOM 856 CB PRO A 56 -13.047 -6.072 4.126 1.00 4.32 C ATOM 857 CG PRO A 56 -13.765 -5.322 5.176 1.00 44.23 C ATOM 858 CD PRO A 56 -13.171 -3.941 5.187 1.00 33.55 C ATOM 0 HA PRO A 56 -10.950 -6.021 4.851 1.00 75.21 H new ATOM 0 HB2 PRO A 56 -13.504 -5.923 3.148 1.00 4.32 H new ATOM 0 HB3 PRO A 56 -13.060 -7.144 4.324 1.00 4.32 H new ATOM 0 HG2 PRO A 56 -14.834 -5.284 4.965 1.00 44.23 H new ATOM 0 HG3 PRO A 56 -13.648 -5.803 6.147 1.00 44.23 H new ATOM 0 HD2 PRO A 56 -13.771 -3.243 4.603 1.00 33.55 H new ATOM 0 HD3 PRO A 56 -13.110 -3.540 6.199 1.00 33.55 H new ATOM 866 N TRP A 57 -11.390 -4.950 1.794 1.00 70.13 N ATOM 867 CA TRP A 57 -10.865 -5.134 0.433 1.00 52.34 C ATOM 868 C TRP A 57 -9.333 -4.961 0.387 1.00 55.25 C ATOM 869 O TRP A 57 -8.636 -5.698 -0.321 1.00 43.01 O ATOM 870 CB TRP A 57 -11.562 -4.199 -0.591 1.00 63.23 C ATOM 871 CG TRP A 57 -11.199 -2.738 -0.482 1.00 3.54 C ATOM 872 CD1 TRP A 57 -11.677 -1.806 0.403 1.00 43.23 C ATOM 873 CD2 TRP A 57 -10.272 -2.051 -1.317 1.00 5.04 C ATOM 874 NE1 TRP A 57 -11.082 -0.598 0.170 1.00 22.42 N ATOM 875 CE2 TRP A 57 -10.216 -0.725 -0.883 1.00 12.21 C ATOM 876 CE3 TRP A 57 -9.475 -2.438 -2.393 1.00 23.40 C ATOM 877 CZ2 TRP A 57 -9.390 0.212 -1.486 1.00 51.32 C ATOM 878 CZ3 TRP A 57 -8.661 -1.497 -2.982 1.00 32.04 C ATOM 879 CH2 TRP A 57 -8.626 -0.193 -2.521 1.00 3.32 C ATOM 0 H TRP A 57 -12.086 -4.210 1.885 1.00 70.13 H new ATOM 0 HA TRP A 57 -11.094 -6.160 0.145 1.00 52.34 H new ATOM 0 HB2 TRP A 57 -11.319 -4.543 -1.596 1.00 63.23 H new ATOM 0 HB3 TRP A 57 -12.641 -4.298 -0.473 1.00 63.23 H new ATOM 0 HD1 TRP A 57 -12.413 -1.998 1.169 1.00 43.23 H new ATOM 0 HE1 TRP A 57 -11.255 0.259 0.695 1.00 22.42 H new ATOM 0 HE3 TRP A 57 -9.496 -3.455 -2.757 1.00 23.40 H new ATOM 0 HZ2 TRP A 57 -9.360 1.234 -1.138 1.00 51.32 H new ATOM 0 HZ3 TRP A 57 -8.039 -1.781 -3.818 1.00 32.04 H new ATOM 0 HH2 TRP A 57 -7.971 0.518 -3.002 1.00 3.32 H new ATOM 890 N VAL A 58 -8.822 -4.025 1.184 1.00 64.04 N ATOM 891 CA VAL A 58 -7.399 -3.755 1.245 1.00 23.24 C ATOM 892 C VAL A 58 -6.665 -4.926 1.884 1.00 32.52 C ATOM 893 O VAL A 58 -5.630 -5.366 1.384 1.00 12.41 O ATOM 894 CB VAL A 58 -7.091 -2.421 2.000 1.00 63.52 C ATOM 895 CG1 VAL A 58 -5.605 -2.249 2.232 1.00 0.42 C ATOM 896 CG2 VAL A 58 -7.609 -1.233 1.203 1.00 71.33 C ATOM 0 H VAL A 58 -9.385 -3.439 1.800 1.00 64.04 H new ATOM 0 HA VAL A 58 -7.040 -3.634 0.223 1.00 23.24 H new ATOM 0 HB VAL A 58 -7.594 -2.468 2.966 1.00 63.52 H new ATOM 0 HG11 VAL A 58 -5.425 -1.312 2.759 1.00 0.42 H new ATOM 0 HG12 VAL A 58 -5.232 -3.080 2.831 1.00 0.42 H new ATOM 0 HG13 VAL A 58 -5.087 -2.231 1.273 1.00 0.42 H new ATOM 0 HG21 VAL A 58 -7.388 -0.310 1.740 1.00 71.33 H new ATOM 0 HG22 VAL A 58 -7.124 -1.210 0.227 1.00 71.33 H new ATOM 0 HG23 VAL A 58 -8.687 -1.326 1.070 1.00 71.33 H new ATOM 906 N GLU A 59 -7.248 -5.464 2.948 1.00 41.12 N ATOM 907 CA GLU A 59 -6.665 -6.585 3.694 1.00 71.32 C ATOM 908 C GLU A 59 -6.406 -7.785 2.772 1.00 4.11 C ATOM 909 O GLU A 59 -5.445 -8.525 2.955 1.00 21.32 O ATOM 910 CB GLU A 59 -7.608 -7.019 4.814 1.00 11.35 C ATOM 911 CG GLU A 59 -8.008 -5.910 5.771 1.00 51.23 C ATOM 912 CD GLU A 59 -8.917 -6.413 6.863 1.00 64.54 C ATOM 913 OE1 GLU A 59 -10.119 -6.607 6.612 1.00 45.31 O ATOM 914 OE2 GLU A 59 -8.432 -6.646 7.986 1.00 52.13 O ATOM 0 H GLU A 59 -8.139 -5.139 3.323 1.00 41.12 H new ATOM 0 HA GLU A 59 -5.718 -6.247 4.114 1.00 71.32 H new ATOM 0 HB2 GLU A 59 -8.510 -7.439 4.369 1.00 11.35 H new ATOM 0 HB3 GLU A 59 -7.131 -7.817 5.383 1.00 11.35 H new ATOM 0 HG2 GLU A 59 -7.114 -5.473 6.215 1.00 51.23 H new ATOM 0 HG3 GLU A 59 -8.509 -5.116 5.218 1.00 51.23 H new ATOM 921 N ARG A 60 -7.266 -7.949 1.778 1.00 2.35 N ATOM 922 CA ARG A 60 -7.165 -9.057 0.837 1.00 11.33 C ATOM 923 C ARG A 60 -6.083 -8.835 -0.207 1.00 73.15 C ATOM 924 O ARG A 60 -5.312 -9.749 -0.504 1.00 22.10 O ATOM 925 CB ARG A 60 -8.521 -9.385 0.176 1.00 63.31 C ATOM 926 CG ARG A 60 -9.500 -10.183 1.055 1.00 64.51 C ATOM 927 CD ARG A 60 -9.811 -9.508 2.370 1.00 24.11 C ATOM 928 NE ARG A 60 -10.686 -10.313 3.217 1.00 23.22 N ATOM 929 CZ ARG A 60 -11.180 -9.909 4.391 1.00 63.14 C ATOM 930 NH1 ARG A 60 -10.861 -8.710 4.876 1.00 52.34 N ATOM 931 NH2 ARG A 60 -11.981 -10.703 5.079 1.00 74.45 N ATOM 0 H ARG A 60 -8.050 -7.322 1.600 1.00 2.35 H new ATOM 0 HA ARG A 60 -6.870 -9.926 1.425 1.00 11.33 H new ATOM 0 HB2 ARG A 60 -9.000 -8.451 -0.118 1.00 63.31 H new ATOM 0 HB3 ARG A 60 -8.335 -9.949 -0.738 1.00 63.31 H new ATOM 0 HG2 ARG A 60 -10.429 -10.336 0.505 1.00 64.51 H new ATOM 0 HG3 ARG A 60 -9.079 -11.169 1.252 1.00 64.51 H new ATOM 0 HD2 ARG A 60 -8.880 -9.307 2.901 1.00 24.11 H new ATOM 0 HD3 ARG A 60 -10.283 -8.544 2.178 1.00 24.11 H new ATOM 0 HE ARG A 60 -10.937 -11.246 2.891 1.00 23.22 H new ATOM 0 HH11 ARG A 60 -10.238 -8.097 4.351 1.00 52.34 H new ATOM 0 HH12 ARG A 60 -11.240 -8.405 5.773 1.00 52.34 H new ATOM 0 HH21 ARG A 60 -12.222 -11.624 4.714 1.00 74.45 H new ATOM 0 HH22 ARG A 60 -12.358 -10.395 5.975 1.00 74.45 H new ATOM 945 N ILE A 61 -6.006 -7.635 -0.747 1.00 62.11 N ATOM 946 CA ILE A 61 -4.989 -7.324 -1.752 1.00 73.14 C ATOM 947 C ILE A 61 -3.585 -7.252 -1.170 1.00 70.13 C ATOM 948 O ILE A 61 -2.612 -7.599 -1.852 1.00 45.35 O ATOM 949 CB ILE A 61 -5.326 -6.087 -2.596 1.00 21.10 C ATOM 950 CG1 ILE A 61 -5.778 -4.930 -1.709 1.00 52.22 C ATOM 951 CG2 ILE A 61 -6.367 -6.434 -3.656 1.00 33.33 C ATOM 952 CD1 ILE A 61 -6.145 -3.684 -2.457 1.00 35.20 C ATOM 0 H ILE A 61 -6.627 -6.860 -0.514 1.00 62.11 H new ATOM 0 HA ILE A 61 -5.000 -8.171 -2.438 1.00 73.14 H new ATOM 0 HB ILE A 61 -4.425 -5.760 -3.114 1.00 21.10 H new ATOM 0 HG12 ILE A 61 -6.637 -5.253 -1.121 1.00 52.22 H new ATOM 0 HG13 ILE A 61 -4.980 -4.695 -1.005 1.00 52.22 H new ATOM 0 HG21 ILE A 61 -6.595 -5.546 -4.246 1.00 33.33 H new ATOM 0 HG22 ILE A 61 -5.975 -7.213 -4.310 1.00 33.33 H new ATOM 0 HG23 ILE A 61 -7.276 -6.791 -3.171 1.00 33.33 H new ATOM 0 HD11 ILE A 61 -6.454 -2.913 -1.751 1.00 35.20 H new ATOM 0 HD12 ILE A 61 -5.283 -3.332 -3.023 1.00 35.20 H new ATOM 0 HD13 ILE A 61 -6.965 -3.899 -3.142 1.00 35.20 H new ATOM 964 N ILE A 62 -3.478 -6.819 0.086 1.00 63.45 N ATOM 965 CA ILE A 62 -2.197 -6.838 0.806 1.00 45.40 C ATOM 966 C ILE A 62 -1.603 -8.264 0.767 1.00 11.41 C ATOM 967 O ILE A 62 -0.416 -8.447 0.496 1.00 40.14 O ATOM 968 CB ILE A 62 -2.357 -6.379 2.303 1.00 52.11 C ATOM 969 CG1 ILE A 62 -2.810 -4.911 2.393 1.00 60.44 C ATOM 970 CG2 ILE A 62 -1.066 -6.584 3.086 1.00 32.11 C ATOM 971 CD1 ILE A 62 -3.015 -4.413 3.816 1.00 51.42 C ATOM 0 H ILE A 62 -4.259 -6.451 0.628 1.00 63.45 H new ATOM 0 HA ILE A 62 -1.527 -6.135 0.310 1.00 45.40 H new ATOM 0 HB ILE A 62 -3.131 -7.003 2.751 1.00 52.11 H new ATOM 0 HG12 ILE A 62 -2.068 -4.282 1.902 1.00 60.44 H new ATOM 0 HG13 ILE A 62 -3.742 -4.795 1.840 1.00 60.44 H new ATOM 0 HG21 ILE A 62 -1.209 -6.257 4.116 1.00 32.11 H new ATOM 0 HG22 ILE A 62 -0.797 -7.640 3.074 1.00 32.11 H new ATOM 0 HG23 ILE A 62 -0.267 -6.001 2.629 1.00 32.11 H new ATOM 0 HD11 ILE A 62 -3.333 -3.371 3.794 1.00 51.42 H new ATOM 0 HD12 ILE A 62 -3.780 -5.016 4.306 1.00 51.42 H new ATOM 0 HD13 ILE A 62 -2.079 -4.495 4.369 1.00 51.42 H new ATOM 983 N GLN A 63 -2.472 -9.259 0.977 1.00 41.14 N ATOM 984 CA GLN A 63 -2.085 -10.678 0.997 1.00 42.33 C ATOM 985 C GLN A 63 -1.428 -11.074 -0.312 1.00 71.44 C ATOM 986 O GLN A 63 -0.383 -11.721 -0.317 1.00 34.45 O ATOM 987 CB GLN A 63 -3.306 -11.583 1.230 1.00 23.22 C ATOM 988 CG GLN A 63 -4.084 -11.283 2.496 1.00 23.12 C ATOM 989 CD GLN A 63 -3.257 -11.399 3.755 1.00 74.13 C ATOM 990 OE1 GLN A 63 -2.313 -12.193 3.834 1.00 65.05 O ATOM 991 NE2 GLN A 63 -3.590 -10.612 4.741 1.00 2.22 N ATOM 0 H GLN A 63 -3.467 -9.104 1.139 1.00 41.14 H new ATOM 0 HA GLN A 63 -1.379 -10.808 1.817 1.00 42.33 H new ATOM 0 HB2 GLN A 63 -3.978 -11.491 0.377 1.00 23.22 H new ATOM 0 HB3 GLN A 63 -2.972 -12.620 1.262 1.00 23.22 H new ATOM 0 HG2 GLN A 63 -4.493 -10.275 2.431 1.00 23.12 H new ATOM 0 HG3 GLN A 63 -4.931 -11.966 2.563 1.00 23.12 H new ATOM 0 HE21 GLN A 63 -4.376 -9.970 4.638 1.00 2.22 H new ATOM 0 HE22 GLN A 63 -3.065 -10.639 5.615 1.00 2.22 H new ATOM 1000 N ARG A 64 -2.036 -10.658 -1.424 1.00 12.53 N ATOM 1001 CA ARG A 64 -1.527 -10.973 -2.744 1.00 44.12 C ATOM 1002 C ARG A 64 -0.139 -10.402 -2.965 1.00 63.41 C ATOM 1003 O ARG A 64 0.732 -11.074 -3.516 1.00 21.20 O ATOM 1004 CB ARG A 64 -2.495 -10.546 -3.864 1.00 12.14 C ATOM 1005 CG ARG A 64 -3.700 -11.479 -4.105 1.00 40.42 C ATOM 1006 CD ARG A 64 -4.611 -11.617 -2.895 1.00 21.34 C ATOM 1007 NE ARG A 64 -5.743 -12.518 -3.158 1.00 24.33 N ATOM 1008 CZ ARG A 64 -6.700 -12.833 -2.271 1.00 1.54 C ATOM 1009 NH1 ARG A 64 -6.655 -12.339 -1.033 1.00 40.01 N ATOM 1010 NH2 ARG A 64 -7.701 -13.644 -2.625 1.00 12.42 N ATOM 0 H ARG A 64 -2.888 -10.098 -1.427 1.00 12.53 H new ATOM 0 HA ARG A 64 -1.447 -12.059 -2.792 1.00 44.12 H new ATOM 0 HB2 ARG A 64 -2.872 -9.550 -3.632 1.00 12.14 H new ATOM 0 HB3 ARG A 64 -1.931 -10.465 -4.793 1.00 12.14 H new ATOM 0 HG2 ARG A 64 -4.281 -11.100 -4.946 1.00 40.42 H new ATOM 0 HG3 ARG A 64 -3.334 -12.466 -4.389 1.00 40.42 H new ATOM 0 HD2 ARG A 64 -4.036 -11.994 -2.049 1.00 21.34 H new ATOM 0 HD3 ARG A 64 -4.988 -10.634 -2.611 1.00 21.34 H new ATOM 0 HE ARG A 64 -5.806 -12.936 -4.086 1.00 24.33 H new ATOM 0 HH11 ARG A 64 -5.892 -11.720 -0.758 1.00 40.01 H new ATOM 0 HH12 ARG A 64 -7.384 -12.580 -0.361 1.00 40.01 H new ATOM 0 HH21 ARG A 64 -7.739 -14.025 -3.570 1.00 12.42 H new ATOM 0 HH22 ARG A 64 -8.427 -13.882 -1.950 1.00 12.42 H new ATOM 1024 N LEU A 65 0.090 -9.184 -2.520 1.00 71.03 N ATOM 1025 CA LEU A 65 1.404 -8.603 -2.651 1.00 34.11 C ATOM 1026 C LEU A 65 2.397 -9.243 -1.684 1.00 5.13 C ATOM 1027 O LEU A 65 3.556 -9.445 -2.030 1.00 0.43 O ATOM 1028 CB LEU A 65 1.375 -7.088 -2.502 1.00 34.32 C ATOM 1029 CG LEU A 65 0.592 -6.324 -3.575 1.00 64.42 C ATOM 1030 CD1 LEU A 65 0.651 -4.841 -3.304 1.00 74.44 C ATOM 1031 CD2 LEU A 65 1.130 -6.632 -4.966 1.00 15.20 C ATOM 0 H LEU A 65 -0.606 -8.588 -2.072 1.00 71.03 H new ATOM 0 HA LEU A 65 1.748 -8.816 -3.663 1.00 34.11 H new ATOM 0 HB2 LEU A 65 0.949 -6.846 -1.528 1.00 34.32 H new ATOM 0 HB3 LEU A 65 2.402 -6.723 -2.500 1.00 34.32 H new ATOM 0 HG LEU A 65 -0.448 -6.649 -3.536 1.00 64.42 H new ATOM 0 HD11 LEU A 65 0.091 -4.308 -4.073 1.00 74.44 H new ATOM 0 HD12 LEU A 65 0.215 -4.632 -2.327 1.00 74.44 H new ATOM 0 HD13 LEU A 65 1.689 -4.510 -3.316 1.00 74.44 H new ATOM 0 HD21 LEU A 65 0.557 -6.077 -5.709 1.00 15.20 H new ATOM 0 HD22 LEU A 65 2.178 -6.339 -5.024 1.00 15.20 H new ATOM 0 HD23 LEU A 65 1.040 -7.700 -5.162 1.00 15.20 H new ATOM 1043 N GLN A 66 1.939 -9.600 -0.488 1.00 62.01 N ATOM 1044 CA GLN A 66 2.827 -10.249 0.473 1.00 5.05 C ATOM 1045 C GLN A 66 3.257 -11.629 -0.004 1.00 72.42 C ATOM 1046 O GLN A 66 4.443 -11.967 0.037 1.00 34.14 O ATOM 1047 CB GLN A 66 2.212 -10.348 1.867 1.00 10.25 C ATOM 1048 CG GLN A 66 1.937 -9.025 2.526 1.00 2.52 C ATOM 1049 CD GLN A 66 1.468 -9.186 3.949 1.00 51.03 C ATOM 1050 OE1 GLN A 66 0.276 -9.312 4.220 1.00 32.23 O ATOM 1051 NE2 GLN A 66 2.400 -9.189 4.869 1.00 62.00 N ATOM 0 H GLN A 66 0.982 -9.456 -0.165 1.00 62.01 H new ATOM 0 HA GLN A 66 3.708 -9.611 0.544 1.00 5.05 H new ATOM 0 HB2 GLN A 66 1.278 -10.906 1.799 1.00 10.25 H new ATOM 0 HB3 GLN A 66 2.882 -10.924 2.505 1.00 10.25 H new ATOM 0 HG2 GLN A 66 2.842 -8.418 2.510 1.00 2.52 H new ATOM 0 HG3 GLN A 66 1.181 -8.486 1.955 1.00 2.52 H new ATOM 0 HE21 GLN A 66 3.379 -9.082 4.604 1.00 62.00 H new ATOM 0 HE22 GLN A 66 2.147 -9.299 5.851 1.00 62.00 H new ATOM 1060 N ARG A 67 2.306 -12.415 -0.490 1.00 65.31 N ATOM 1061 CA ARG A 67 2.613 -13.773 -0.933 1.00 60.34 C ATOM 1062 C ARG A 67 3.409 -13.779 -2.233 1.00 64.24 C ATOM 1063 O ARG A 67 4.049 -14.764 -2.563 1.00 21.13 O ATOM 1064 CB ARG A 67 1.357 -14.647 -1.046 1.00 52.11 C ATOM 1065 CG ARG A 67 0.368 -14.214 -2.107 1.00 31.52 C ATOM 1066 CD ARG A 67 -0.864 -15.098 -2.091 1.00 72.32 C ATOM 1067 NE ARG A 67 -0.538 -16.511 -2.330 1.00 60.33 N ATOM 1068 CZ ARG A 67 -1.332 -17.545 -2.013 1.00 32.04 C ATOM 1069 NH1 ARG A 67 -2.506 -17.337 -1.422 1.00 25.44 N ATOM 1070 NH2 ARG A 67 -0.941 -18.781 -2.286 1.00 10.14 N ATOM 0 H ARG A 67 1.328 -12.143 -0.588 1.00 65.31 H new ATOM 0 HA ARG A 67 3.242 -14.215 -0.160 1.00 60.34 H new ATOM 0 HB2 ARG A 67 1.664 -15.672 -1.254 1.00 52.11 H new ATOM 0 HB3 ARG A 67 0.851 -14.655 -0.081 1.00 52.11 H new ATOM 0 HG2 ARG A 67 0.079 -13.177 -1.938 1.00 31.52 H new ATOM 0 HG3 ARG A 67 0.839 -14.258 -3.089 1.00 31.52 H new ATOM 0 HD2 ARG A 67 -1.366 -15.001 -1.128 1.00 72.32 H new ATOM 0 HD3 ARG A 67 -1.565 -14.755 -2.852 1.00 72.32 H new ATOM 0 HE ARG A 67 0.358 -16.721 -2.769 1.00 60.33 H new ATOM 0 HH11 ARG A 67 -2.807 -16.387 -1.207 1.00 25.44 H new ATOM 0 HH12 ARG A 67 -3.104 -18.128 -1.184 1.00 25.44 H new ATOM 0 HH21 ARG A 67 -0.040 -18.943 -2.735 1.00 10.14 H new ATOM 0 HH22 ARG A 67 -1.541 -19.570 -2.047 1.00 10.14 H new ATOM 1084 N THR A 68 3.357 -12.691 -2.982 1.00 61.31 N ATOM 1085 CA THR A 68 4.180 -12.590 -4.160 1.00 32.25 C ATOM 1086 C THR A 68 5.573 -12.084 -3.813 1.00 53.44 C ATOM 1087 O THR A 68 6.563 -12.469 -4.436 1.00 63.15 O ATOM 1088 CB THR A 68 3.529 -11.782 -5.300 1.00 4.12 C ATOM 1089 OG1 THR A 68 3.078 -10.506 -4.822 1.00 33.32 O ATOM 1090 CG2 THR A 68 2.367 -12.538 -5.918 1.00 33.44 C ATOM 0 H THR A 68 2.763 -11.883 -2.795 1.00 61.31 H new ATOM 0 HA THR A 68 4.281 -13.601 -4.554 1.00 32.25 H new ATOM 0 HB THR A 68 4.287 -11.628 -6.068 1.00 4.12 H new ATOM 0 HG1 THR A 68 2.175 -10.596 -4.451 1.00 33.32 H new ATOM 0 HG21 THR A 68 1.929 -11.942 -6.719 1.00 33.44 H new ATOM 0 HG22 THR A 68 2.724 -13.485 -6.324 1.00 33.44 H new ATOM 0 HG23 THR A 68 1.612 -12.732 -5.156 1.00 33.44 H new ATOM 1098 N SER A 69 5.644 -11.260 -2.793 1.00 53.43 N ATOM 1099 CA SER A 69 6.909 -10.739 -2.300 1.00 42.25 C ATOM 1100 C SER A 69 7.713 -11.886 -1.687 1.00 72.24 C ATOM 1101 O SER A 69 8.886 -12.084 -2.008 1.00 14.40 O ATOM 1102 CB SER A 69 6.670 -9.610 -1.268 1.00 22.04 C ATOM 1103 OG SER A 69 7.892 -9.039 -0.800 1.00 54.30 O ATOM 0 H SER A 69 4.829 -10.929 -2.278 1.00 53.43 H new ATOM 0 HA SER A 69 7.475 -10.309 -3.127 1.00 42.25 H new ATOM 0 HB2 SER A 69 6.057 -8.831 -1.720 1.00 22.04 H new ATOM 0 HB3 SER A 69 6.109 -10.006 -0.422 1.00 22.04 H new ATOM 0 HG SER A 69 7.695 -8.330 -0.153 1.00 54.30 H new ATOM 1109 N ALA A 70 7.061 -12.659 -0.837 1.00 63.22 N ATOM 1110 CA ALA A 70 7.686 -13.820 -0.220 1.00 42.12 C ATOM 1111 C ALA A 70 7.768 -14.964 -1.225 1.00 12.43 C ATOM 1112 O ALA A 70 8.554 -15.882 -1.069 1.00 30.24 O ATOM 1113 CB ALA A 70 6.901 -14.250 1.012 1.00 61.42 C ATOM 0 H ALA A 70 6.093 -12.504 -0.556 1.00 63.22 H new ATOM 0 HA ALA A 70 8.696 -13.554 0.090 1.00 42.12 H new ATOM 0 HB1 ALA A 70 7.380 -15.119 1.463 1.00 61.42 H new ATOM 0 HB2 ALA A 70 6.879 -13.433 1.733 1.00 61.42 H new ATOM 0 HB3 ALA A 70 5.882 -14.506 0.723 1.00 61.42 H new ATOM 1119 N LYS A 71 6.947 -14.865 -2.262 1.00 75.41 N ATOM 1120 CA LYS A 71 6.839 -15.835 -3.350 1.00 1.13 C ATOM 1121 C LYS A 71 6.599 -17.285 -2.910 1.00 11.21 C ATOM 1122 O LYS A 71 5.451 -17.689 -2.716 1.00 72.55 O ATOM 1123 CB LYS A 71 7.899 -15.658 -4.487 1.00 31.51 C ATOM 1124 CG LYS A 71 9.373 -15.640 -4.060 1.00 3.04 C ATOM 1125 CD LYS A 71 10.310 -15.499 -5.258 1.00 51.41 C ATOM 1126 CE LYS A 71 10.105 -14.186 -6.020 1.00 54.53 C ATOM 1127 NZ LYS A 71 10.399 -12.981 -5.191 1.00 44.33 N ATOM 0 H LYS A 71 6.311 -14.076 -2.375 1.00 75.41 H new ATOM 0 HA LYS A 71 5.898 -15.569 -3.831 1.00 1.13 H new ATOM 0 HB2 LYS A 71 7.763 -16.465 -5.207 1.00 31.51 H new ATOM 0 HB3 LYS A 71 7.685 -14.726 -5.009 1.00 31.51 H new ATOM 0 HG2 LYS A 71 9.541 -14.814 -3.368 1.00 3.04 H new ATOM 0 HG3 LYS A 71 9.607 -16.559 -3.522 1.00 3.04 H new ATOM 0 HD2 LYS A 71 11.343 -15.557 -4.915 1.00 51.41 H new ATOM 0 HD3 LYS A 71 10.152 -16.337 -5.937 1.00 51.41 H new ATOM 0 HE2 LYS A 71 10.746 -14.180 -6.901 1.00 54.53 H new ATOM 0 HE3 LYS A 71 9.076 -14.134 -6.374 1.00 54.53 H new ATOM 0 HZ1 LYS A 71 10.326 -12.128 -5.781 1.00 44.33 H new ATOM 0 HZ2 LYS A 71 9.715 -12.922 -4.410 1.00 44.33 H new ATOM 0 HZ3 LYS A 71 11.362 -13.052 -4.804 1.00 44.33 H new ATOM 1141 N MET A 72 7.646 -18.037 -2.713 1.00 4.31 N ATOM 1142 CA MET A 72 7.507 -19.430 -2.347 1.00 54.20 C ATOM 1143 C MET A 72 8.123 -19.664 -0.966 1.00 72.11 C ATOM 1144 O MET A 72 8.171 -20.796 -0.461 1.00 42.23 O ATOM 1145 CB MET A 72 8.174 -20.314 -3.413 1.00 15.35 C ATOM 1146 CG MET A 72 7.943 -21.802 -3.258 1.00 42.24 C ATOM 1147 SD MET A 72 8.738 -22.777 -4.558 1.00 55.32 S ATOM 1148 CE MET A 72 7.945 -22.117 -6.031 1.00 63.12 C ATOM 0 H MET A 72 8.609 -17.713 -2.799 1.00 4.31 H new ATOM 0 HA MET A 72 6.451 -19.696 -2.297 1.00 54.20 H new ATOM 0 HB2 MET A 72 7.811 -20.007 -4.394 1.00 15.35 H new ATOM 0 HB3 MET A 72 9.248 -20.126 -3.397 1.00 15.35 H new ATOM 0 HG2 MET A 72 8.320 -22.124 -2.287 1.00 42.24 H new ATOM 0 HG3 MET A 72 6.871 -22.001 -3.266 1.00 42.24 H new ATOM 0 HE1 MET A 72 8.065 -22.820 -6.855 1.00 63.12 H new ATOM 0 HE2 MET A 72 6.883 -21.965 -5.836 1.00 63.12 H new ATOM 0 HE3 MET A 72 8.405 -21.165 -6.296 1.00 63.12 H new ATOM 1158 N LYS A 73 8.560 -18.580 -0.338 1.00 25.01 N ATOM 1159 CA LYS A 73 9.175 -18.648 0.971 1.00 72.25 C ATOM 1160 C LYS A 73 8.114 -18.812 2.047 1.00 43.21 C ATOM 1161 O LYS A 73 7.583 -17.846 2.588 1.00 42.23 O ATOM 1162 CB LYS A 73 10.063 -17.431 1.244 1.00 24.04 C ATOM 1163 CG LYS A 73 11.204 -17.268 0.240 1.00 33.55 C ATOM 1164 CD LYS A 73 12.029 -16.012 0.502 1.00 24.43 C ATOM 1165 CE LYS A 73 12.684 -16.042 1.874 1.00 41.54 C ATOM 1166 NZ LYS A 73 13.538 -14.865 2.106 1.00 12.10 N ATOM 0 H LYS A 73 8.497 -17.637 -0.723 1.00 25.01 H new ATOM 0 HA LYS A 73 9.823 -19.524 0.992 1.00 72.25 H new ATOM 0 HB2 LYS A 73 9.447 -16.532 1.230 1.00 24.04 H new ATOM 0 HB3 LYS A 73 10.482 -17.515 2.247 1.00 24.04 H new ATOM 0 HG2 LYS A 73 11.853 -18.143 0.285 1.00 33.55 H new ATOM 0 HG3 LYS A 73 10.794 -17.227 -0.769 1.00 33.55 H new ATOM 0 HD2 LYS A 73 12.797 -15.915 -0.265 1.00 24.43 H new ATOM 0 HD3 LYS A 73 11.388 -15.134 0.424 1.00 24.43 H new ATOM 0 HE2 LYS A 73 11.912 -16.087 2.643 1.00 41.54 H new ATOM 0 HE3 LYS A 73 13.282 -16.948 1.970 1.00 41.54 H new ATOM 0 HZ1 LYS A 73 13.964 -14.927 3.053 1.00 12.10 H new ATOM 0 HZ2 LYS A 73 14.290 -14.835 1.389 1.00 12.10 H new ATOM 0 HZ3 LYS A 73 12.963 -14.001 2.041 1.00 12.10 H new ATOM 1180 N ARG A 74 7.781 -20.039 2.283 1.00 23.41 N ATOM 1181 CA ARG A 74 6.775 -20.441 3.240 1.00 44.54 C ATOM 1182 C ARG A 74 7.440 -20.752 4.564 1.00 1.31 C ATOM 1183 O ARG A 74 6.970 -20.354 5.632 1.00 5.32 O ATOM 1184 CB ARG A 74 6.088 -21.686 2.696 1.00 61.33 C ATOM 1185 CG ARG A 74 5.386 -21.464 1.367 1.00 65.33 C ATOM 1186 CD ARG A 74 4.982 -22.777 0.732 1.00 52.32 C ATOM 1187 NE ARG A 74 6.163 -23.585 0.356 1.00 25.11 N ATOM 1188 CZ ARG A 74 6.128 -24.858 -0.055 1.00 31.42 C ATOM 1189 NH1 ARG A 74 4.975 -25.517 -0.099 1.00 2.34 N ATOM 1190 NH2 ARG A 74 7.250 -25.472 -0.411 1.00 42.24 N ATOM 0 H ARG A 74 8.213 -20.827 1.801 1.00 23.41 H new ATOM 0 HA ARG A 74 6.045 -19.646 3.394 1.00 44.54 H new ATOM 0 HB2 ARG A 74 6.829 -22.477 2.578 1.00 61.33 H new ATOM 0 HB3 ARG A 74 5.360 -22.038 3.427 1.00 61.33 H new ATOM 0 HG2 ARG A 74 4.502 -20.844 1.519 1.00 65.33 H new ATOM 0 HG3 ARG A 74 6.045 -20.919 0.692 1.00 65.33 H new ATOM 0 HD2 ARG A 74 4.360 -23.342 1.426 1.00 52.32 H new ATOM 0 HD3 ARG A 74 4.376 -22.583 -0.153 1.00 52.32 H new ATOM 0 HE ARG A 74 7.077 -23.136 0.415 1.00 25.11 H new ATOM 0 HH11 ARG A 74 4.111 -25.053 0.181 1.00 2.34 H new ATOM 0 HH12 ARG A 74 4.954 -26.487 -0.413 1.00 2.34 H new ATOM 0 HH21 ARG A 74 8.139 -24.973 -0.371 1.00 42.24 H new ATOM 0 HH22 ARG A 74 7.223 -26.442 -0.724 1.00 42.24 H new ATOM 1204 N ARG A 75 8.526 -21.473 4.477 1.00 44.32 N ATOM 1205 CA ARG A 75 9.333 -21.853 5.619 1.00 23.22 C ATOM 1206 C ARG A 75 10.770 -21.391 5.349 1.00 34.51 C ATOM 1207 O ARG A 75 11.682 -21.583 6.161 1.00 40.24 O ATOM 1208 CB ARG A 75 9.271 -23.387 5.760 1.00 72.01 C ATOM 1209 CG ARG A 75 10.009 -23.973 6.951 1.00 40.24 C ATOM 1210 CD ARG A 75 9.893 -25.485 6.959 1.00 13.52 C ATOM 1211 NE ARG A 75 10.596 -26.095 8.091 1.00 32.32 N ATOM 1212 CZ ARG A 75 10.884 -27.395 8.195 1.00 23.12 C ATOM 1213 NH1 ARG A 75 10.532 -28.233 7.234 1.00 64.41 N ATOM 1214 NH2 ARG A 75 11.519 -27.855 9.264 1.00 11.33 N ATOM 0 H ARG A 75 8.888 -21.824 3.590 1.00 44.32 H new ATOM 0 HA ARG A 75 8.974 -21.397 6.541 1.00 23.22 H new ATOM 0 HB2 ARG A 75 8.224 -23.685 5.823 1.00 72.01 H new ATOM 0 HB3 ARG A 75 9.675 -23.833 4.851 1.00 72.01 H new ATOM 0 HG2 ARG A 75 11.059 -23.684 6.913 1.00 40.24 H new ATOM 0 HG3 ARG A 75 9.599 -23.566 7.876 1.00 40.24 H new ATOM 0 HD2 ARG A 75 8.840 -25.765 6.995 1.00 13.52 H new ATOM 0 HD3 ARG A 75 10.297 -25.882 6.028 1.00 13.52 H new ATOM 0 HE ARG A 75 10.886 -25.483 8.854 1.00 32.32 H new ATOM 0 HH11 ARG A 75 10.039 -27.887 6.411 1.00 64.41 H new ATOM 0 HH12 ARG A 75 10.753 -29.225 7.316 1.00 64.41 H new ATOM 0 HH21 ARG A 75 11.790 -27.215 10.011 1.00 11.33 H new ATOM 0 HH22 ARG A 75 11.737 -28.849 9.339 1.00 11.33 H new ATOM 1228 N SER A 76 10.928 -20.749 4.193 1.00 35.43 N ATOM 1229 CA SER A 76 12.201 -20.293 3.672 1.00 63.44 C ATOM 1230 C SER A 76 13.143 -21.478 3.450 1.00 10.43 C ATOM 1231 O SER A 76 14.016 -21.785 4.268 1.00 63.31 O ATOM 1232 CB SER A 76 12.821 -19.190 4.540 1.00 32.13 C ATOM 1233 OG SER A 76 11.929 -18.077 4.649 1.00 3.33 O ATOM 0 H SER A 76 10.144 -20.528 3.579 1.00 35.43 H new ATOM 0 HA SER A 76 12.025 -19.832 2.700 1.00 63.44 H new ATOM 0 HB2 SER A 76 13.045 -19.582 5.532 1.00 32.13 H new ATOM 0 HB3 SER A 76 13.766 -18.865 4.105 1.00 32.13 H new ATOM 0 HG SER A 76 12.338 -17.383 5.207 1.00 3.33 H new ATOM 1239 N SER A 77 12.877 -22.195 2.392 1.00 60.33 N ATOM 1240 CA SER A 77 13.615 -23.367 2.023 1.00 62.21 C ATOM 1241 C SER A 77 13.546 -23.511 0.510 1.00 3.11 C ATOM 1242 O SER A 77 14.557 -23.245 -0.165 1.00 38.88 O ATOM 1243 CB SER A 77 13.032 -24.611 2.722 1.00 24.52 C ATOM 1244 OG SER A 77 13.064 -24.445 4.145 1.00 64.25 O ATOM 1245 OXT SER A 77 12.445 -23.788 -0.014 1.00 38.88 O ATOM 0 H SER A 77 12.119 -21.972 1.747 1.00 60.33 H new ATOM 0 HA SER A 77 14.655 -23.274 2.337 1.00 62.21 H new ATOM 0 HB2 SER A 77 12.006 -24.775 2.391 1.00 24.52 H new ATOM 0 HB3 SER A 77 13.603 -25.496 2.440 1.00 24.52 H new ATOM 0 HG SER A 77 12.689 -25.242 4.576 1.00 64.25 H new TER 1251 SER A 77