USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 943 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 9 LYS NZ :NH3+ 169:sc= 0 (180deg=0) USER MOD Set 1.2: A 56 HIS : no HD1:sc= -0.0241 X(o=-0.024,f=0.22) USER MOD Set 2.1: A 31 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-0.34) USER MOD Set 2.2: A 46 SER OG : rot 180:sc= -0.0155 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.081 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 8 SER OG : rot 94:sc= -0.0412 USER MOD Single : A 10 CYS SG : rot -38:sc= 0.0335 USER MOD Single : A 13 MET CE :methyl -113:sc= -2.57 (180deg=-8.74!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -3.42! K(o=-3.4!,f=-0.36) USER MOD Single : A 35 LYS NZ :NH3+ 165:sc=-0.00987 (180deg=-0.176) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.544 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 118:sc= 0.0648 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -32:sc= -0.729 USER MOD Single : A 59 THR OG1 : rot -177:sc= 1.93 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 46:sc= 0.817 USER MOD Single : A 70 LYS NZ :NH3+ -136:sc= 0.197 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 91:sc= 1.61 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 150:sc= -0.0649 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.0739 X(o=-0.074,f=-0.011) USER MOD Single : A 90 HIS : no HD1:sc= -0.478 X(o=-0.48,f=-0.0035) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc=-0.00742 K(o=-0.0074,f=-1.1) USER MOD Single : A 100 SER OG : rot 83:sc= 0.00832 USER MOD Single : A 105 TYR OH : rot 30:sc= -0.0169 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -164:sc= -0.065 (180deg=-0.47) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 30:sc=-0.00522 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc=-0.00345 USER MOD Single : A 119 MET CE :methyl -161:sc= -2.22! (180deg=-3.17!) USER MOD Single : A 123 THR OG1 : rot 37:sc= 0.829 USER MOD Single : A 124 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.22) USER MOD Single : A 126 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0671) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.395 -11.119 2.854 1.00 74.13 N ATOM 2 CA GLY A 1 -7.073 -10.310 1.693 1.00 34.14 C ATOM 3 C GLY A 1 -6.232 -11.059 0.679 1.00 1.51 C ATOM 4 O GLY A 1 -5.909 -12.234 0.856 1.00 72.31 O ATOM 0 H1 GLY A 1 -8.424 -11.265 2.901 1.00 74.13 H new ATOM 0 H2 GLY A 1 -6.917 -12.040 2.779 1.00 74.13 H new ATOM 0 H3 GLY A 1 -7.075 -10.632 3.716 1.00 74.13 H new ATOM 0 HA2 GLY A 1 -7.996 -9.977 1.219 1.00 34.14 H new ATOM 0 HA3 GLY A 1 -6.539 -9.416 2.014 1.00 34.14 H new ATOM 8 N PRO A 2 -5.864 -10.373 -0.413 1.00 21.03 N ATOM 9 CA PRO A 2 -5.050 -10.962 -1.480 1.00 2.31 C ATOM 10 C PRO A 2 -3.614 -11.221 -1.040 1.00 61.30 C ATOM 11 O PRO A 2 -3.066 -12.299 -1.274 1.00 14.21 O ATOM 12 CB PRO A 2 -5.088 -9.898 -2.581 1.00 23.42 C ATOM 13 CG PRO A 2 -5.342 -8.618 -1.864 1.00 33.11 C ATOM 14 CD PRO A 2 -6.212 -8.969 -0.688 1.00 34.03 C ATOM 0 HA PRO A 2 -5.430 -11.935 -1.793 1.00 2.31 H new ATOM 0 HB2 PRO A 2 -4.147 -9.864 -3.131 1.00 23.42 H new ATOM 0 HB3 PRO A 2 -5.874 -10.108 -3.307 1.00 23.42 H new ATOM 0 HG2 PRO A 2 -4.408 -8.162 -1.536 1.00 33.11 H new ATOM 0 HG3 PRO A 2 -5.837 -7.897 -2.515 1.00 33.11 H new ATOM 0 HD2 PRO A 2 -6.006 -8.329 0.170 1.00 34.03 H new ATOM 0 HD3 PRO A 2 -7.270 -8.856 -0.923 1.00 34.03 H new ATOM 22 N THR A 3 -3.008 -10.226 -0.398 1.00 23.42 N ATOM 23 CA THR A 3 -1.634 -10.347 0.076 1.00 41.32 C ATOM 24 C THR A 3 -1.547 -10.098 1.577 1.00 20.13 C ATOM 25 O THR A 3 -2.556 -9.846 2.234 1.00 54.11 O ATOM 26 CB THR A 3 -0.700 -9.362 -0.652 1.00 33.42 C ATOM 27 OG1 THR A 3 -1.042 -8.015 -0.304 1.00 11.12 O ATOM 28 CG2 THR A 3 -0.793 -9.541 -2.159 1.00 11.31 C ATOM 0 H THR A 3 -3.447 -9.328 -0.195 1.00 23.42 H new ATOM 0 HA THR A 3 -1.313 -11.366 -0.139 1.00 41.32 H new ATOM 0 HB THR A 3 0.324 -9.569 -0.341 1.00 33.42 H new ATOM 0 HG1 THR A 3 -0.443 -7.395 -0.769 1.00 11.12 H new ATOM 0 HG21 THR A 3 -0.125 -8.835 -2.651 1.00 11.31 H new ATOM 0 HG22 THR A 3 -0.504 -10.558 -2.423 1.00 11.31 H new ATOM 0 HG23 THR A 3 -1.817 -9.359 -2.485 1.00 11.31 H new ATOM 36 N GLY A 4 -0.333 -10.170 2.115 1.00 1.33 N ATOM 37 CA GLY A 4 -0.137 -9.949 3.535 1.00 1.34 C ATOM 38 C GLY A 4 1.249 -9.424 3.854 1.00 45.41 C ATOM 39 O GLY A 4 1.741 -8.507 3.195 1.00 60.11 O ATOM 0 H GLY A 4 0.518 -10.377 1.592 1.00 1.33 H new ATOM 0 HA2 GLY A 4 -0.883 -9.240 3.896 1.00 1.34 H new ATOM 0 HA3 GLY A 4 -0.300 -10.884 4.071 1.00 1.34 H new ATOM 43 N THR A 5 1.882 -10.003 4.870 1.00 12.54 N ATOM 44 CA THR A 5 3.217 -9.586 5.277 1.00 74.23 C ATOM 45 C THR A 5 3.768 -10.495 6.370 1.00 64.14 C ATOM 46 O THR A 5 3.011 -11.136 7.098 1.00 14.45 O ATOM 47 CB THR A 5 3.221 -8.132 5.785 1.00 71.41 C ATOM 48 OG1 THR A 5 4.475 -7.834 6.409 1.00 32.23 O ATOM 49 CG2 THR A 5 2.088 -7.900 6.773 1.00 53.45 C ATOM 0 H THR A 5 1.490 -10.763 5.426 1.00 12.54 H new ATOM 0 HA THR A 5 3.853 -9.657 4.394 1.00 74.23 H new ATOM 0 HB THR A 5 3.076 -7.472 4.930 1.00 71.41 H new ATOM 0 HG1 THR A 5 4.470 -6.907 6.728 1.00 32.23 H new ATOM 0 HG21 THR A 5 2.112 -6.866 7.118 1.00 53.45 H new ATOM 0 HG22 THR A 5 1.134 -8.098 6.285 1.00 53.45 H new ATOM 0 HG23 THR A 5 2.206 -8.569 7.625 1.00 53.45 H new ATOM 57 N GLY A 6 5.092 -10.546 6.479 1.00 24.13 N ATOM 58 CA GLY A 6 5.721 -11.380 7.487 1.00 71.40 C ATOM 59 C GLY A 6 7.100 -10.881 7.874 1.00 43.52 C ATOM 60 O GLY A 6 7.841 -10.372 7.033 1.00 52.21 O ATOM 0 H GLY A 6 5.740 -10.025 5.888 1.00 24.13 H new ATOM 0 HA2 GLY A 6 5.088 -11.413 8.374 1.00 71.40 H new ATOM 0 HA3 GLY A 6 5.799 -12.401 7.113 1.00 71.40 H new ATOM 64 N GLU A 7 7.443 -11.025 9.150 1.00 62.41 N ATOM 65 CA GLU A 7 8.741 -10.583 9.646 1.00 61.05 C ATOM 66 C GLU A 7 9.875 -11.311 8.928 1.00 62.33 C ATOM 67 O GLU A 7 9.646 -12.286 8.213 1.00 20.21 O ATOM 68 CB GLU A 7 8.843 -10.819 11.154 1.00 41.31 C ATOM 69 CG GLU A 7 8.743 -12.282 11.549 1.00 34.13 C ATOM 70 CD GLU A 7 7.316 -12.717 11.821 1.00 31.31 C ATOM 71 OE1 GLU A 7 6.839 -12.510 12.957 1.00 35.02 O1- ATOM 72 OE2 GLU A 7 6.677 -13.265 10.899 1.00 50.32 O ATOM 0 H GLU A 7 6.841 -11.444 9.859 1.00 62.41 H new ATOM 0 HA GLU A 7 8.833 -9.516 9.446 1.00 61.05 H new ATOM 0 HB2 GLU A 7 9.791 -10.419 11.513 1.00 41.31 H new ATOM 0 HB3 GLU A 7 8.052 -10.261 11.655 1.00 41.31 H new ATOM 0 HG2 GLU A 7 9.161 -12.899 10.753 1.00 34.13 H new ATOM 0 HG3 GLU A 7 9.348 -12.456 12.439 1.00 34.13 H new ATOM 79 N SER A 8 11.097 -10.829 9.126 1.00 11.13 N ATOM 80 CA SER A 8 12.267 -11.430 8.494 1.00 73.41 C ATOM 81 C SER A 8 13.534 -11.109 9.281 1.00 2.22 C ATOM 82 O SER A 8 13.791 -9.955 9.624 1.00 44.50 O ATOM 83 CB SER A 8 12.407 -10.933 7.054 1.00 62.10 C ATOM 84 OG SER A 8 13.188 -9.752 6.996 1.00 14.33 O ATOM 0 H SER A 8 11.304 -10.025 9.718 1.00 11.13 H new ATOM 0 HA SER A 8 12.130 -12.511 8.485 1.00 73.41 H new ATOM 0 HB2 SER A 8 12.868 -11.708 6.442 1.00 62.10 H new ATOM 0 HB3 SER A 8 11.419 -10.741 6.635 1.00 62.10 H new ATOM 0 HG SER A 8 14.123 -9.987 6.821 1.00 14.33 H new ATOM 90 N LYS A 9 14.323 -12.139 9.563 1.00 44.32 N ATOM 91 CA LYS A 9 15.565 -11.970 10.308 1.00 23.33 C ATOM 92 C LYS A 9 16.722 -11.635 9.371 1.00 33.34 C ATOM 93 O LYS A 9 17.699 -11.006 9.776 1.00 14.24 O ATOM 94 CB LYS A 9 15.887 -13.240 11.099 1.00 44.14 C ATOM 95 CG LYS A 9 15.240 -13.283 12.472 1.00 44.04 C ATOM 96 CD LYS A 9 13.842 -13.874 12.411 1.00 2.52 C ATOM 97 CE LYS A 9 13.880 -15.394 12.368 1.00 53.35 C ATOM 98 NZ LYS A 9 12.535 -15.990 12.601 1.00 32.34 N1+ ATOM 0 H LYS A 9 14.125 -13.101 9.287 1.00 44.32 H new ATOM 0 HA LYS A 9 15.432 -11.141 11.003 1.00 23.33 H new ATOM 0 HB2 LYS A 9 15.560 -14.107 10.526 1.00 44.14 H new ATOM 0 HB3 LYS A 9 16.968 -13.322 11.213 1.00 44.14 H new ATOM 0 HG2 LYS A 9 15.857 -13.875 13.148 1.00 44.04 H new ATOM 0 HG3 LYS A 9 15.192 -12.275 12.885 1.00 44.04 H new ATOM 0 HD2 LYS A 9 13.270 -13.548 13.280 1.00 2.52 H new ATOM 0 HD3 LYS A 9 13.325 -13.497 11.529 1.00 2.52 H new ATOM 0 HE2 LYS A 9 14.259 -15.720 11.399 1.00 53.35 H new ATOM 0 HE3 LYS A 9 14.576 -15.761 13.123 1.00 53.35 H new ATOM 0 HZ1 LYS A 9 12.563 -17.006 12.382 1.00 32.34 H new ATOM 0 HZ2 LYS A 9 12.265 -15.858 13.597 1.00 32.34 H new ATOM 0 HZ3 LYS A 9 11.837 -15.522 11.988 1.00 32.34 H new ATOM 112 N CYS A 10 16.601 -12.057 8.117 1.00 72.52 N ATOM 113 CA CYS A 10 17.636 -11.801 7.122 1.00 50.34 C ATOM 114 C CYS A 10 17.383 -10.481 6.401 1.00 44.02 C ATOM 115 O CYS A 10 16.273 -9.949 6.401 1.00 44.02 O ATOM 116 CB CYS A 10 17.694 -12.946 6.109 1.00 33.40 C ATOM 117 SG CYS A 10 18.780 -14.307 6.596 1.00 22.45 S ATOM 0 H CYS A 10 15.797 -12.577 7.766 1.00 72.52 H new ATOM 0 HA CYS A 10 18.593 -11.734 7.639 1.00 50.34 H new ATOM 0 HB2 CYS A 10 16.687 -13.335 5.958 1.00 33.40 H new ATOM 0 HB3 CYS A 10 18.031 -12.552 5.150 1.00 33.40 H new ATOM 0 HG CYS A 10 19.837 -13.830 7.184 1.00 22.45 H new ATOM 123 N PRO A 11 18.436 -9.938 5.773 1.00 41.21 N ATOM 124 CA PRO A 11 18.353 -8.673 5.037 1.00 32.44 C ATOM 125 C PRO A 11 17.531 -8.798 3.759 1.00 33.11 C ATOM 126 O PRO A 11 16.851 -7.856 3.352 1.00 40.40 O ATOM 127 CB PRO A 11 19.814 -8.359 4.706 1.00 52.53 C ATOM 128 CG PRO A 11 20.494 -9.684 4.697 1.00 50.33 C ATOM 129 CD PRO A 11 19.789 -10.517 5.732 1.00 12.12 C ATOM 0 HA PRO A 11 17.857 -7.895 5.618 1.00 32.44 H new ATOM 0 HB2 PRO A 11 19.903 -7.862 3.740 1.00 52.53 H new ATOM 0 HB3 PRO A 11 20.254 -7.693 5.449 1.00 52.53 H new ATOM 0 HG2 PRO A 11 20.431 -10.148 3.713 1.00 50.33 H new ATOM 0 HG3 PRO A 11 21.553 -9.581 4.934 1.00 50.33 H new ATOM 0 HD2 PRO A 11 19.767 -11.570 5.453 1.00 12.12 H new ATOM 0 HD3 PRO A 11 20.282 -10.455 6.702 1.00 12.12 H new ATOM 137 N LEU A 12 17.597 -9.967 3.131 1.00 24.44 N ATOM 138 CA LEU A 12 16.858 -10.215 1.899 1.00 13.33 C ATOM 139 C LEU A 12 15.822 -11.318 2.097 1.00 62.23 C ATOM 140 O LEU A 12 16.156 -12.428 2.511 1.00 61.54 O ATOM 141 CB LEU A 12 17.820 -10.600 0.772 1.00 1.41 C ATOM 142 CG LEU A 12 17.289 -10.428 -0.651 1.00 23.13 C ATOM 143 CD1 LEU A 12 18.431 -10.474 -1.655 1.00 43.24 C ATOM 144 CD2 LEU A 12 16.255 -11.500 -0.968 1.00 3.34 C ATOM 0 H LEU A 12 18.155 -10.757 3.455 1.00 24.44 H new ATOM 0 HA LEU A 12 16.337 -9.297 1.627 1.00 13.33 H new ATOM 0 HB2 LEU A 12 18.726 -10.003 0.875 1.00 1.41 H new ATOM 0 HB3 LEU A 12 18.108 -11.642 0.907 1.00 1.41 H new ATOM 0 HG LEU A 12 16.807 -9.453 -0.723 1.00 23.13 H new ATOM 0 HD11 LEU A 12 18.035 -10.350 -2.663 1.00 43.24 H new ATOM 0 HD12 LEU A 12 19.136 -9.671 -1.441 1.00 43.24 H new ATOM 0 HD13 LEU A 12 18.942 -11.434 -1.582 1.00 43.24 H new ATOM 0 HD21 LEU A 12 15.888 -11.362 -1.985 1.00 3.34 H new ATOM 0 HD22 LEU A 12 16.713 -12.485 -0.878 1.00 3.34 H new ATOM 0 HD23 LEU A 12 15.423 -11.421 -0.268 1.00 3.34 H new ATOM 156 N MET A 13 14.567 -11.004 1.798 1.00 42.14 N ATOM 157 CA MET A 13 13.483 -11.970 1.941 1.00 33.41 C ATOM 158 C MET A 13 12.970 -12.417 0.575 1.00 40.04 C ATOM 159 O MET A 13 12.684 -11.591 -0.292 1.00 53.03 O ATOM 160 CB MET A 13 12.338 -11.367 2.757 1.00 72.22 C ATOM 161 CG MET A 13 11.657 -12.367 3.677 1.00 31.44 C ATOM 162 SD MET A 13 10.653 -13.566 2.778 1.00 1.33 S ATOM 163 CE MET A 13 9.085 -12.705 2.699 1.00 15.23 C ATOM 0 H MET A 13 14.274 -10.089 1.455 1.00 42.14 H new ATOM 0 HA MET A 13 13.873 -12.842 2.466 1.00 33.41 H new ATOM 0 HB2 MET A 13 12.724 -10.540 3.354 1.00 72.22 H new ATOM 0 HB3 MET A 13 11.597 -10.949 2.075 1.00 72.22 H new ATOM 0 HG2 MET A 13 12.414 -12.895 4.257 1.00 31.44 H new ATOM 0 HG3 MET A 13 11.027 -11.831 4.387 1.00 31.44 H new ATOM 0 HE1 MET A 13 8.348 -13.236 3.301 1.00 15.23 H new ATOM 0 HE2 MET A 13 9.206 -11.692 3.083 1.00 15.23 H new ATOM 0 HE3 MET A 13 8.745 -12.662 1.664 1.00 15.23 H new ATOM 173 N VAL A 14 12.855 -13.729 0.392 1.00 0.34 N ATOM 174 CA VAL A 14 12.376 -14.284 -0.869 1.00 54.11 C ATOM 175 C VAL A 14 10.993 -14.906 -0.704 1.00 75.31 C ATOM 176 O VAL A 14 10.835 -15.926 -0.032 1.00 44.51 O ATOM 177 CB VAL A 14 13.344 -15.350 -1.416 1.00 71.42 C ATOM 178 CG1 VAL A 14 12.918 -15.793 -2.808 1.00 65.25 C ATOM 179 CG2 VAL A 14 14.768 -14.818 -1.430 1.00 54.20 C ATOM 0 H VAL A 14 13.087 -14.426 1.100 1.00 0.34 H new ATOM 0 HA VAL A 14 12.318 -13.458 -1.578 1.00 54.11 H new ATOM 0 HB VAL A 14 13.311 -16.218 -0.758 1.00 71.42 H new ATOM 0 HG11 VAL A 14 13.613 -16.546 -3.179 1.00 65.25 H new ATOM 0 HG12 VAL A 14 11.914 -16.216 -2.764 1.00 65.25 H new ATOM 0 HG13 VAL A 14 12.921 -14.935 -3.480 1.00 65.25 H new ATOM 0 HG21 VAL A 14 15.439 -15.584 -1.819 1.00 54.20 H new ATOM 0 HG22 VAL A 14 14.820 -13.934 -2.065 1.00 54.20 H new ATOM 0 HG23 VAL A 14 15.068 -14.555 -0.416 1.00 54.20 H new ATOM 189 N LYS A 15 9.994 -14.285 -1.321 1.00 45.14 N ATOM 190 CA LYS A 15 8.623 -14.777 -1.245 1.00 34.42 C ATOM 191 C LYS A 15 8.228 -15.485 -2.537 1.00 3.44 C ATOM 192 O LYS A 15 8.228 -14.884 -3.611 1.00 33.44 O ATOM 193 CB LYS A 15 7.659 -13.621 -0.969 1.00 23.14 C ATOM 194 CG LYS A 15 6.284 -14.073 -0.507 1.00 20.51 C ATOM 195 CD LYS A 15 6.177 -14.072 1.009 1.00 21.44 C ATOM 196 CE LYS A 15 5.874 -12.682 1.544 1.00 61.00 C ATOM 197 NZ LYS A 15 4.425 -12.354 1.450 1.00 31.20 N1+ ATOM 0 H LYS A 15 10.108 -13.439 -1.880 1.00 45.14 H new ATOM 0 HA LYS A 15 8.565 -15.493 -0.426 1.00 34.42 H new ATOM 0 HB2 LYS A 15 8.093 -12.971 -0.209 1.00 23.14 H new ATOM 0 HB3 LYS A 15 7.551 -13.025 -1.875 1.00 23.14 H new ATOM 0 HG2 LYS A 15 5.523 -13.415 -0.927 1.00 20.51 H new ATOM 0 HG3 LYS A 15 6.083 -15.075 -0.886 1.00 20.51 H new ATOM 0 HD2 LYS A 15 5.393 -14.762 1.320 1.00 21.44 H new ATOM 0 HD3 LYS A 15 7.110 -14.434 1.441 1.00 21.44 H new ATOM 0 HE2 LYS A 15 6.194 -12.616 2.584 1.00 61.00 H new ATOM 0 HE3 LYS A 15 6.450 -11.944 0.985 1.00 61.00 H new ATOM 0 HZ1 LYS A 15 4.260 -11.398 1.825 1.00 31.20 H new ATOM 0 HZ2 LYS A 15 4.124 -12.392 0.455 1.00 31.20 H new ATOM 0 HZ3 LYS A 15 3.877 -13.042 2.004 1.00 31.20 H new ATOM 211 N VAL A 16 7.889 -16.766 -2.424 1.00 43.13 N ATOM 212 CA VAL A 16 7.487 -17.555 -3.583 1.00 14.13 C ATOM 213 C VAL A 16 5.979 -17.770 -3.606 1.00 22.53 C ATOM 214 O VAL A 16 5.448 -18.606 -2.873 1.00 43.30 O ATOM 215 CB VAL A 16 8.190 -18.926 -3.599 1.00 62.10 C ATOM 216 CG1 VAL A 16 7.824 -19.699 -4.855 1.00 24.42 C ATOM 217 CG2 VAL A 16 9.698 -18.752 -3.489 1.00 0.34 C ATOM 0 H VAL A 16 7.885 -17.279 -1.542 1.00 43.13 H new ATOM 0 HA VAL A 16 7.784 -16.991 -4.468 1.00 14.13 H new ATOM 0 HB VAL A 16 7.850 -19.500 -2.737 1.00 62.10 H new ATOM 0 HG11 VAL A 16 8.330 -20.664 -4.848 1.00 24.42 H new ATOM 0 HG12 VAL A 16 6.746 -19.855 -4.885 1.00 24.42 H new ATOM 0 HG13 VAL A 16 8.134 -19.133 -5.734 1.00 24.42 H new ATOM 0 HG21 VAL A 16 10.179 -19.730 -3.502 1.00 0.34 H new ATOM 0 HG22 VAL A 16 10.058 -18.159 -4.330 1.00 0.34 H new ATOM 0 HG23 VAL A 16 9.938 -18.242 -2.556 1.00 0.34 H new ATOM 227 N LEU A 17 5.292 -17.011 -4.453 1.00 52.23 N ATOM 228 CA LEU A 17 3.842 -17.118 -4.573 1.00 52.32 C ATOM 229 C LEU A 17 3.448 -17.669 -5.940 1.00 63.31 C ATOM 230 O LEU A 17 4.211 -17.575 -6.901 1.00 71.44 O ATOM 231 CB LEU A 17 3.190 -15.752 -4.354 1.00 44.04 C ATOM 232 CG LEU A 17 2.508 -15.543 -3.001 1.00 44.34 C ATOM 233 CD1 LEU A 17 3.047 -14.295 -2.319 1.00 1.50 C ATOM 234 CD2 LEU A 17 0.999 -15.449 -3.173 1.00 53.44 C ATOM 0 H LEU A 17 5.716 -16.315 -5.067 1.00 52.23 H new ATOM 0 HA LEU A 17 3.489 -17.809 -3.808 1.00 52.32 H new ATOM 0 HB2 LEU A 17 3.953 -14.984 -4.476 1.00 44.04 H new ATOM 0 HB3 LEU A 17 2.451 -15.594 -5.139 1.00 44.04 H new ATOM 0 HG LEU A 17 2.729 -16.402 -2.368 1.00 44.34 H new ATOM 0 HD11 LEU A 17 2.550 -14.162 -1.358 1.00 1.50 H new ATOM 0 HD12 LEU A 17 4.120 -14.401 -2.161 1.00 1.50 H new ATOM 0 HD13 LEU A 17 2.857 -13.426 -2.949 1.00 1.50 H new ATOM 0 HD21 LEU A 17 0.530 -15.300 -2.200 1.00 53.44 H new ATOM 0 HD22 LEU A 17 0.759 -14.608 -3.824 1.00 53.44 H new ATOM 0 HD23 LEU A 17 0.625 -16.371 -3.619 1.00 53.44 H new ATOM 246 N ASP A 18 2.252 -18.241 -6.018 1.00 52.03 N ATOM 247 CA ASP A 18 1.754 -18.804 -7.269 1.00 1.53 C ATOM 248 C ASP A 18 0.824 -17.823 -7.975 1.00 31.30 C ATOM 249 O ASP A 18 -0.085 -17.265 -7.362 1.00 2.31 O ATOM 250 CB ASP A 18 1.022 -20.121 -7.005 1.00 21.40 C ATOM 251 CG ASP A 18 0.995 -21.024 -8.222 1.00 31.11 C ATOM 252 OD1 ASP A 18 1.041 -20.495 -9.353 1.00 53.44 O ATOM 253 OD2 ASP A 18 0.928 -22.258 -8.045 1.00 31.41 O1- ATOM 0 H ASP A 18 1.609 -18.327 -5.231 1.00 52.03 H new ATOM 0 HA ASP A 18 2.609 -18.996 -7.917 1.00 1.53 H new ATOM 0 HB2 ASP A 18 1.506 -20.643 -6.180 1.00 21.40 H new ATOM 0 HB3 ASP A 18 -0.000 -19.908 -6.692 1.00 21.40 H new ATOM 258 N ALA A 19 1.061 -17.617 -9.267 1.00 54.11 N ATOM 259 CA ALA A 19 0.243 -16.703 -10.056 1.00 4.04 C ATOM 260 C ALA A 19 -1.014 -17.397 -10.569 1.00 72.45 C ATOM 261 O ALA A 19 -2.002 -16.743 -10.908 1.00 54.10 O ATOM 262 CB ALA A 19 1.051 -16.141 -11.217 1.00 64.31 C ATOM 0 H ALA A 19 1.811 -18.070 -9.789 1.00 54.11 H new ATOM 0 HA ALA A 19 -0.066 -15.880 -9.411 1.00 4.04 H new ATOM 0 HB1 ALA A 19 0.428 -15.460 -11.798 1.00 64.31 H new ATOM 0 HB2 ALA A 19 1.916 -15.602 -10.831 1.00 64.31 H new ATOM 0 HB3 ALA A 19 1.388 -16.958 -11.855 1.00 64.31 H new ATOM 268 N VAL A 20 -0.971 -18.724 -10.626 1.00 1.32 N ATOM 269 CA VAL A 20 -2.107 -19.505 -11.099 1.00 4.11 C ATOM 270 C VAL A 20 -3.074 -19.812 -9.962 1.00 34.21 C ATOM 271 O VAL A 20 -4.291 -19.831 -10.155 1.00 24.34 O ATOM 272 CB VAL A 20 -1.650 -20.829 -11.741 1.00 64.24 C ATOM 273 CG1 VAL A 20 -2.849 -21.700 -12.083 1.00 42.40 C ATOM 274 CG2 VAL A 20 -0.808 -20.558 -12.979 1.00 1.33 C ATOM 0 H VAL A 20 -0.162 -19.280 -10.351 1.00 1.32 H new ATOM 0 HA VAL A 20 -2.615 -18.901 -11.851 1.00 4.11 H new ATOM 0 HB VAL A 20 -1.034 -21.367 -11.021 1.00 64.24 H new ATOM 0 HG11 VAL A 20 -2.506 -22.630 -12.535 1.00 42.40 H new ATOM 0 HG12 VAL A 20 -3.408 -21.923 -11.174 1.00 42.40 H new ATOM 0 HG13 VAL A 20 -3.494 -21.172 -12.785 1.00 42.40 H new ATOM 0 HG21 VAL A 20 -0.494 -21.504 -13.420 1.00 1.33 H new ATOM 0 HG22 VAL A 20 -1.398 -19.998 -13.705 1.00 1.33 H new ATOM 0 HG23 VAL A 20 0.072 -19.977 -12.701 1.00 1.33 H new ATOM 284 N ARG A 21 -2.527 -20.052 -8.775 1.00 70.43 N ATOM 285 CA ARG A 21 -3.341 -20.359 -7.605 1.00 40.24 C ATOM 286 C ARG A 21 -3.554 -19.114 -6.749 1.00 25.13 C ATOM 287 O ARG A 21 -4.531 -19.019 -6.008 1.00 25.45 O ATOM 288 CB ARG A 21 -2.679 -21.457 -6.770 1.00 54.04 C ATOM 289 CG ARG A 21 -2.103 -22.591 -7.603 1.00 23.13 C ATOM 290 CD ARG A 21 -1.464 -23.658 -6.726 1.00 70.24 C ATOM 291 NE ARG A 21 -2.445 -24.322 -5.872 1.00 32.25 N ATOM 292 CZ ARG A 21 -3.377 -25.150 -6.330 1.00 13.33 C ATOM 293 NH1 ARG A 21 -3.456 -25.413 -7.628 1.00 64.54 N1+ ATOM 294 NH2 ARG A 21 -4.234 -25.717 -5.490 1.00 42.11 N ATOM 0 H ARG A 21 -1.523 -20.040 -8.598 1.00 70.43 H new ATOM 0 HA ARG A 21 -4.312 -20.711 -7.952 1.00 40.24 H new ATOM 0 HB2 ARG A 21 -1.882 -21.016 -6.171 1.00 54.04 H new ATOM 0 HB3 ARG A 21 -3.412 -21.865 -6.074 1.00 54.04 H new ATOM 0 HG2 ARG A 21 -2.893 -23.039 -8.206 1.00 23.13 H new ATOM 0 HG3 ARG A 21 -1.360 -22.195 -8.295 1.00 23.13 H new ATOM 0 HD2 ARG A 21 -0.971 -24.398 -7.356 1.00 70.24 H new ATOM 0 HD3 ARG A 21 -0.692 -23.203 -6.106 1.00 70.24 H new ATOM 0 HE ARG A 21 -2.413 -24.140 -4.869 1.00 32.25 H new ATOM 0 HH11 ARG A 21 -2.800 -24.979 -8.277 1.00 64.54 H new ATOM 0 HH12 ARG A 21 -4.173 -26.049 -7.977 1.00 64.54 H new ATOM 0 HH21 ARG A 21 -4.177 -25.517 -4.491 1.00 42.11 H new ATOM 0 HH22 ARG A 21 -4.949 -26.353 -5.843 1.00 42.11 H new ATOM 308 N GLY A 22 -2.633 -18.162 -6.858 1.00 14.01 N ATOM 309 CA GLY A 22 -2.739 -16.937 -6.090 1.00 71.33 C ATOM 310 C GLY A 22 -2.393 -17.138 -4.627 1.00 55.30 C ATOM 311 O GLY A 22 -2.770 -16.332 -3.776 1.00 35.44 O ATOM 0 H GLY A 22 -1.815 -18.218 -7.465 1.00 14.01 H new ATOM 0 HA2 GLY A 22 -2.075 -16.185 -6.517 1.00 71.33 H new ATOM 0 HA3 GLY A 22 -3.754 -16.548 -6.170 1.00 71.33 H new ATOM 315 N SER A 23 -1.673 -18.217 -4.334 1.00 52.31 N ATOM 316 CA SER A 23 -1.281 -18.524 -2.964 1.00 31.20 C ATOM 317 C SER A 23 0.204 -18.867 -2.888 1.00 73.43 C ATOM 318 O SER A 23 0.838 -19.220 -3.883 1.00 43.22 O ATOM 319 CB SER A 23 -2.112 -19.689 -2.422 1.00 51.44 C ATOM 320 OG SER A 23 -1.290 -20.798 -2.104 1.00 24.23 O ATOM 0 H SER A 23 -1.350 -18.892 -5.027 1.00 52.31 H new ATOM 0 HA SER A 23 -1.465 -17.640 -2.353 1.00 31.20 H new ATOM 0 HB2 SER A 23 -2.656 -19.369 -1.533 1.00 51.44 H new ATOM 0 HB3 SER A 23 -2.856 -19.984 -3.162 1.00 51.44 H new ATOM 0 HG SER A 23 -1.845 -21.528 -1.758 1.00 24.23 H new ATOM 326 N PRO A 24 0.773 -18.759 -1.678 1.00 13.40 N ATOM 327 CA PRO A 24 2.190 -19.053 -1.442 1.00 34.35 C ATOM 328 C PRO A 24 2.502 -20.541 -1.565 1.00 53.53 C ATOM 329 O PRO A 24 1.789 -21.381 -1.018 1.00 40.42 O ATOM 330 CB PRO A 24 2.416 -18.576 -0.005 1.00 12.41 C ATOM 331 CG PRO A 24 1.073 -18.655 0.636 1.00 62.31 C ATOM 332 CD PRO A 24 0.079 -18.343 -0.449 1.00 53.31 C ATOM 0 HA PRO A 24 2.835 -18.566 -2.174 1.00 34.35 H new ATOM 0 HB2 PRO A 24 3.139 -19.206 0.512 1.00 12.41 H new ATOM 0 HB3 PRO A 24 2.806 -17.559 0.018 1.00 12.41 H new ATOM 0 HG2 PRO A 24 0.897 -19.646 1.053 1.00 62.31 H new ATOM 0 HG3 PRO A 24 0.990 -17.944 1.458 1.00 62.31 H new ATOM 0 HD2 PRO A 24 -0.853 -18.890 -0.309 1.00 53.31 H new ATOM 0 HD3 PRO A 24 -0.174 -17.283 -0.470 1.00 53.31 H new ATOM 340 N ALA A 25 3.573 -20.857 -2.286 1.00 24.51 N ATOM 341 CA ALA A 25 3.981 -22.244 -2.479 1.00 10.44 C ATOM 342 C ALA A 25 4.678 -22.789 -1.237 1.00 33.45 C ATOM 343 O ALA A 25 5.378 -22.057 -0.536 1.00 43.13 O ATOM 344 CB ALA A 25 4.890 -22.363 -3.693 1.00 61.41 C ATOM 0 H ALA A 25 4.173 -20.172 -2.746 1.00 24.51 H new ATOM 0 HA ALA A 25 3.085 -22.840 -2.651 1.00 10.44 H new ATOM 0 HB1 ALA A 25 5.187 -23.404 -3.825 1.00 61.41 H new ATOM 0 HB2 ALA A 25 4.358 -22.022 -4.581 1.00 61.41 H new ATOM 0 HB3 ALA A 25 5.778 -21.749 -3.544 1.00 61.41 H new ATOM 350 N ILE A 26 4.482 -24.076 -0.971 1.00 22.35 N ATOM 351 CA ILE A 26 5.094 -24.717 0.186 1.00 34.21 C ATOM 352 C ILE A 26 6.203 -25.674 -0.238 1.00 14.43 C ATOM 353 O ILE A 26 6.100 -26.344 -1.264 1.00 25.11 O ATOM 354 CB ILE A 26 4.053 -25.491 1.015 1.00 4.42 C ATOM 355 CG1 ILE A 26 3.107 -24.519 1.724 1.00 3.20 C ATOM 356 CG2 ILE A 26 4.746 -26.395 2.025 1.00 54.14 C ATOM 357 CD1 ILE A 26 2.066 -25.205 2.580 1.00 11.52 C ATOM 0 H ILE A 26 3.905 -24.695 -1.540 1.00 22.35 H new ATOM 0 HA ILE A 26 5.518 -23.922 0.800 1.00 34.21 H new ATOM 0 HB ILE A 26 3.465 -26.114 0.341 1.00 4.42 H new ATOM 0 HG12 ILE A 26 3.693 -23.845 2.349 1.00 3.20 H new ATOM 0 HG13 ILE A 26 2.604 -23.904 0.977 1.00 3.20 H new ATOM 0 HG21 ILE A 26 3.997 -26.936 2.604 1.00 54.14 H new ATOM 0 HG22 ILE A 26 5.382 -27.107 1.499 1.00 54.14 H new ATOM 0 HG23 ILE A 26 5.356 -25.790 2.696 1.00 54.14 H new ATOM 0 HD11 ILE A 26 1.431 -24.455 3.052 1.00 11.52 H new ATOM 0 HD12 ILE A 26 1.455 -25.858 1.957 1.00 11.52 H new ATOM 0 HD13 ILE A 26 2.561 -25.797 3.350 1.00 11.52 H new ATOM 369 N ASN A 27 7.264 -25.733 0.561 1.00 12.42 N ATOM 370 CA ASN A 27 8.393 -26.609 0.269 1.00 73.32 C ATOM 371 C ASN A 27 9.004 -26.275 -1.088 1.00 13.34 C ATOM 372 O ASN A 27 9.211 -27.156 -1.922 1.00 65.22 O ATOM 373 CB ASN A 27 7.949 -28.073 0.295 1.00 73.52 C ATOM 374 CG ASN A 27 7.824 -28.615 1.706 1.00 73.20 C ATOM 375 OD1 ASN A 27 8.126 -29.781 1.963 1.00 43.32 O ATOM 376 ND2 ASN A 27 7.378 -27.769 2.626 1.00 31.42 N ATOM 0 H ASN A 27 7.365 -25.185 1.415 1.00 12.42 H new ATOM 0 HA ASN A 27 9.151 -26.452 1.037 1.00 73.32 H new ATOM 0 HB2 ASN A 27 6.990 -28.168 -0.214 1.00 73.52 H new ATOM 0 HB3 ASN A 27 8.666 -28.677 -0.261 1.00 73.52 H new ATOM 0 HD21 ASN A 27 7.273 -28.076 3.593 1.00 31.42 H new ATOM 0 HD22 ASN A 27 7.140 -26.812 2.366 1.00 31.42 H new ATOM 383 N VAL A 28 9.292 -24.995 -1.302 1.00 10.34 N ATOM 384 CA VAL A 28 9.881 -24.544 -2.557 1.00 3.15 C ATOM 385 C VAL A 28 11.403 -24.527 -2.475 1.00 50.12 C ATOM 386 O VAL A 28 11.997 -23.587 -1.946 1.00 52.30 O ATOM 387 CB VAL A 28 9.383 -23.136 -2.937 1.00 72.20 C ATOM 388 CG1 VAL A 28 10.050 -22.662 -4.220 1.00 40.10 C ATOM 389 CG2 VAL A 28 7.869 -23.128 -3.079 1.00 33.20 C ATOM 0 H VAL A 28 9.127 -24.252 -0.623 1.00 10.34 H new ATOM 0 HA VAL A 28 9.569 -25.252 -3.325 1.00 3.15 H new ATOM 0 HB VAL A 28 9.654 -22.445 -2.139 1.00 72.20 H new ATOM 0 HG11 VAL A 28 9.686 -21.666 -4.473 1.00 40.10 H new ATOM 0 HG12 VAL A 28 11.130 -22.628 -4.078 1.00 40.10 H new ATOM 0 HG13 VAL A 28 9.812 -23.352 -5.030 1.00 40.10 H new ATOM 0 HG21 VAL A 28 7.534 -22.126 -3.348 1.00 33.20 H new ATOM 0 HG22 VAL A 28 7.573 -23.831 -3.858 1.00 33.20 H new ATOM 0 HG23 VAL A 28 7.413 -23.422 -2.133 1.00 33.20 H new ATOM 399 N ALA A 29 12.031 -25.573 -3.001 1.00 21.11 N ATOM 400 CA ALA A 29 13.485 -25.678 -2.989 1.00 13.43 C ATOM 401 C ALA A 29 14.130 -24.436 -3.594 1.00 73.30 C ATOM 402 O ALA A 29 14.062 -24.215 -4.804 1.00 24.22 O ATOM 403 CB ALA A 29 13.930 -26.925 -3.739 1.00 1.22 C ATOM 0 H ALA A 29 11.555 -26.361 -3.441 1.00 21.11 H new ATOM 0 HA ALA A 29 13.811 -25.756 -1.952 1.00 13.43 H new ATOM 0 HB1 ALA A 29 15.018 -26.991 -3.722 1.00 1.22 H new ATOM 0 HB2 ALA A 29 13.506 -27.808 -3.261 1.00 1.22 H new ATOM 0 HB3 ALA A 29 13.586 -26.871 -4.772 1.00 1.22 H new ATOM 409 N VAL A 30 14.754 -23.626 -2.745 1.00 52.51 N ATOM 410 CA VAL A 30 15.412 -22.406 -3.196 1.00 62.05 C ATOM 411 C VAL A 30 16.893 -22.412 -2.834 1.00 64.44 C ATOM 412 O VAL A 30 17.281 -22.895 -1.770 1.00 3.33 O ATOM 413 CB VAL A 30 14.752 -21.154 -2.587 1.00 11.02 C ATOM 414 CG1 VAL A 30 15.409 -19.890 -3.119 1.00 43.41 C ATOM 415 CG2 VAL A 30 13.258 -21.149 -2.872 1.00 50.55 C ATOM 0 H VAL A 30 14.818 -23.793 -1.741 1.00 52.51 H new ATOM 0 HA VAL A 30 15.307 -22.373 -4.280 1.00 62.05 H new ATOM 0 HB VAL A 30 14.893 -21.179 -1.506 1.00 11.02 H new ATOM 0 HG11 VAL A 30 14.929 -19.017 -2.677 1.00 43.41 H new ATOM 0 HG12 VAL A 30 16.467 -19.893 -2.859 1.00 43.41 H new ATOM 0 HG13 VAL A 30 15.302 -19.853 -4.203 1.00 43.41 H new ATOM 0 HG21 VAL A 30 12.807 -20.258 -2.435 1.00 50.55 H new ATOM 0 HG22 VAL A 30 13.093 -21.148 -3.949 1.00 50.55 H new ATOM 0 HG23 VAL A 30 12.801 -22.038 -2.436 1.00 50.55 H new ATOM 425 N HIS A 31 17.718 -21.873 -3.726 1.00 4.33 N ATOM 426 CA HIS A 31 19.157 -21.816 -3.500 1.00 20.44 C ATOM 427 C HIS A 31 19.695 -20.414 -3.773 1.00 70.41 C ATOM 428 O HIS A 31 19.169 -19.690 -4.619 1.00 62.13 O ATOM 429 CB HIS A 31 19.875 -22.832 -4.389 1.00 42.03 C ATOM 430 CG HIS A 31 19.150 -24.137 -4.512 1.00 51.24 C ATOM 431 ND1 HIS A 31 18.973 -24.789 -5.715 1.00 72.51 N ATOM 432 CD2 HIS A 31 18.556 -24.912 -3.575 1.00 21.01 C ATOM 433 CE1 HIS A 31 18.302 -25.907 -5.513 1.00 63.14 C ATOM 434 NE2 HIS A 31 18.037 -26.007 -4.222 1.00 23.04 N ATOM 0 H HIS A 31 17.414 -21.469 -4.612 1.00 4.33 H new ATOM 0 HA HIS A 31 19.346 -22.062 -2.455 1.00 20.44 H new ATOM 0 HB2 HIS A 31 20.007 -22.404 -5.383 1.00 42.03 H new ATOM 0 HB3 HIS A 31 20.871 -23.015 -3.986 1.00 42.03 H new ATOM 0 HD2 HIS A 31 18.500 -24.708 -2.516 1.00 21.01 H new ATOM 0 HE1 HIS A 31 18.018 -26.619 -6.273 1.00 63.14 H new ATOM 0 HE2 HIS A 31 17.530 -26.773 -3.778 1.00 23.04 H new ATOM 442 N VAL A 32 20.745 -20.037 -3.050 1.00 33.14 N ATOM 443 CA VAL A 32 21.354 -18.722 -3.215 1.00 13.25 C ATOM 444 C VAL A 32 22.866 -18.833 -3.370 1.00 62.02 C ATOM 445 O VAL A 32 23.550 -19.393 -2.513 1.00 63.22 O ATOM 446 CB VAL A 32 21.038 -17.804 -2.020 1.00 11.21 C ATOM 447 CG1 VAL A 32 21.459 -16.373 -2.319 1.00 62.34 C ATOM 448 CG2 VAL A 32 19.558 -17.871 -1.673 1.00 30.45 C ATOM 0 H VAL A 32 21.191 -20.623 -2.345 1.00 33.14 H new ATOM 0 HA VAL A 32 20.930 -18.287 -4.120 1.00 13.25 H new ATOM 0 HB VAL A 32 21.606 -18.152 -1.157 1.00 11.21 H new ATOM 0 HG11 VAL A 32 21.228 -15.739 -1.463 1.00 62.34 H new ATOM 0 HG12 VAL A 32 22.531 -16.342 -2.514 1.00 62.34 H new ATOM 0 HG13 VAL A 32 20.920 -16.011 -3.195 1.00 62.34 H new ATOM 0 HG21 VAL A 32 19.353 -17.216 -0.826 1.00 30.45 H new ATOM 0 HG22 VAL A 32 18.968 -17.550 -2.531 1.00 30.45 H new ATOM 0 HG23 VAL A 32 19.291 -18.895 -1.412 1.00 30.45 H new ATOM 458 N PHE A 33 23.384 -18.296 -4.470 1.00 14.51 N ATOM 459 CA PHE A 33 24.816 -18.334 -4.739 1.00 10.33 C ATOM 460 C PHE A 33 25.386 -16.924 -4.854 1.00 51.44 C ATOM 461 O PHE A 33 24.650 -15.961 -5.070 1.00 61.13 O ATOM 462 CB PHE A 33 25.095 -19.114 -6.025 1.00 54.22 C ATOM 463 CG PHE A 33 24.689 -20.559 -5.950 1.00 35.32 C ATOM 464 CD1 PHE A 33 23.352 -20.921 -6.011 1.00 23.55 C ATOM 465 CD2 PHE A 33 25.644 -21.554 -5.819 1.00 63.43 C ATOM 466 CE1 PHE A 33 22.977 -22.250 -5.940 1.00 31.23 C ATOM 467 CE2 PHE A 33 25.274 -22.885 -5.748 1.00 51.24 C ATOM 468 CZ PHE A 33 23.939 -23.232 -5.811 1.00 15.51 C ATOM 0 H PHE A 33 22.832 -17.829 -5.190 1.00 14.51 H new ATOM 0 HA PHE A 33 25.303 -18.837 -3.904 1.00 10.33 H new ATOM 0 HB2 PHE A 33 24.566 -18.639 -6.851 1.00 54.22 H new ATOM 0 HB3 PHE A 33 26.159 -19.055 -6.252 1.00 54.22 H new ATOM 0 HD1 PHE A 33 22.596 -20.157 -6.115 1.00 23.55 H new ATOM 0 HD2 PHE A 33 26.690 -21.287 -5.772 1.00 63.43 H new ATOM 0 HE1 PHE A 33 21.932 -22.520 -5.985 1.00 31.23 H new ATOM 0 HE2 PHE A 33 26.028 -23.651 -5.643 1.00 51.24 H new ATOM 0 HZ PHE A 33 23.648 -24.271 -5.759 1.00 15.51 H new ATOM 478 N ARG A 34 26.702 -16.810 -4.705 1.00 32.15 N ATOM 479 CA ARG A 34 27.371 -15.517 -4.790 1.00 13.44 C ATOM 480 C ARG A 34 28.400 -15.510 -5.917 1.00 21.02 C ATOM 481 O ARG A 34 29.032 -16.528 -6.201 1.00 3.34 O ATOM 482 CB ARG A 34 28.052 -15.184 -3.462 1.00 72.25 C ATOM 483 CG ARG A 34 28.612 -13.772 -3.401 1.00 3.34 C ATOM 484 CD ARG A 34 29.316 -13.507 -2.080 1.00 53.42 C ATOM 485 NE ARG A 34 30.717 -13.919 -2.114 1.00 31.04 N ATOM 486 CZ ARG A 34 31.438 -14.162 -1.024 1.00 34.30 C ATOM 487 NH1 ARG A 34 30.893 -14.034 0.177 1.00 44.53 N1+ ATOM 488 NH2 ARG A 34 32.707 -14.533 -1.137 1.00 2.43 N ATOM 0 H ARG A 34 27.326 -17.597 -4.525 1.00 32.15 H new ATOM 0 HA ARG A 34 26.617 -14.759 -5.005 1.00 13.44 H new ATOM 0 HB2 ARG A 34 27.334 -15.316 -2.652 1.00 72.25 H new ATOM 0 HB3 ARG A 34 28.861 -15.894 -3.290 1.00 72.25 H new ATOM 0 HG2 ARG A 34 29.311 -13.621 -4.223 1.00 3.34 H new ATOM 0 HG3 ARG A 34 27.804 -13.053 -3.534 1.00 3.34 H new ATOM 0 HD2 ARG A 34 29.256 -12.444 -1.844 1.00 53.42 H new ATOM 0 HD3 ARG A 34 28.801 -14.040 -1.281 1.00 53.42 H new ATOM 0 HE ARG A 34 31.166 -14.026 -3.023 1.00 31.04 H new ATOM 0 HH11 ARG A 34 29.918 -13.748 0.267 1.00 44.53 H new ATOM 0 HH12 ARG A 34 31.449 -14.221 1.012 1.00 44.53 H new ATOM 0 HH21 ARG A 34 33.129 -14.632 -2.060 1.00 2.43 H new ATOM 0 HH22 ARG A 34 33.260 -14.719 -0.301 1.00 2.43 H new ATOM 502 N LYS A 35 28.563 -14.357 -6.555 1.00 54.20 N ATOM 503 CA LYS A 35 29.515 -14.216 -7.651 1.00 73.31 C ATOM 504 C LYS A 35 30.950 -14.287 -7.137 1.00 71.34 C ATOM 505 O LYS A 35 31.377 -13.449 -6.344 1.00 63.22 O ATOM 506 CB LYS A 35 29.288 -12.892 -8.383 1.00 24.12 C ATOM 507 CG LYS A 35 30.421 -12.515 -9.323 1.00 14.42 C ATOM 508 CD LYS A 35 30.614 -13.558 -10.411 1.00 34.13 C ATOM 509 CE LYS A 35 29.471 -13.535 -11.413 1.00 42.22 C ATOM 510 NZ LYS A 35 29.477 -12.293 -12.234 1.00 53.31 N1+ ATOM 0 H LYS A 35 28.048 -13.505 -6.332 1.00 54.20 H new ATOM 0 HA LYS A 35 29.356 -15.040 -8.347 1.00 73.31 H new ATOM 0 HB2 LYS A 35 28.361 -12.955 -8.952 1.00 24.12 H new ATOM 0 HB3 LYS A 35 29.157 -12.098 -7.648 1.00 24.12 H new ATOM 0 HG2 LYS A 35 30.210 -11.548 -9.779 1.00 14.42 H new ATOM 0 HG3 LYS A 35 31.345 -12.405 -8.755 1.00 14.42 H new ATOM 0 HD2 LYS A 35 31.556 -13.376 -10.928 1.00 34.13 H new ATOM 0 HD3 LYS A 35 30.684 -14.548 -9.960 1.00 34.13 H new ATOM 0 HE2 LYS A 35 29.545 -14.403 -12.068 1.00 42.22 H new ATOM 0 HE3 LYS A 35 28.522 -13.615 -10.883 1.00 42.22 H new ATOM 0 HZ1 LYS A 35 28.858 -12.420 -13.060 1.00 53.31 H new ATOM 0 HZ2 LYS A 35 29.132 -11.497 -11.661 1.00 53.31 H new ATOM 0 HZ3 LYS A 35 30.446 -12.094 -12.555 1.00 53.31 H new ATOM 524 N ALA A 36 31.689 -15.291 -7.597 1.00 33.44 N ATOM 525 CA ALA A 36 33.076 -15.468 -7.186 1.00 70.02 C ATOM 526 C ALA A 36 34.010 -14.596 -8.017 1.00 20.11 C ATOM 527 O ALA A 36 33.563 -13.819 -8.860 1.00 35.22 O ATOM 528 CB ALA A 36 33.477 -16.932 -7.301 1.00 3.22 C ATOM 0 H ALA A 36 31.350 -15.994 -8.254 1.00 33.44 H new ATOM 0 HA ALA A 36 33.163 -15.159 -6.144 1.00 70.02 H new ATOM 0 HB1 ALA A 36 34.515 -17.050 -6.991 1.00 3.22 H new ATOM 0 HB2 ALA A 36 32.836 -17.536 -6.660 1.00 3.22 H new ATOM 0 HB3 ALA A 36 33.368 -17.259 -8.335 1.00 3.22 H new ATOM 534 N ALA A 37 35.310 -14.729 -7.773 1.00 24.23 N ATOM 535 CA ALA A 37 36.307 -13.952 -8.501 1.00 41.33 C ATOM 536 C ALA A 37 36.602 -14.576 -9.860 1.00 62.24 C ATOM 537 O ALA A 37 37.295 -13.983 -10.688 1.00 15.13 O ATOM 538 CB ALA A 37 37.584 -13.836 -7.682 1.00 20.34 C ATOM 0 H ALA A 37 35.697 -15.367 -7.078 1.00 24.23 H new ATOM 0 HA ALA A 37 35.904 -12.953 -8.669 1.00 41.33 H new ATOM 0 HB1 ALA A 37 38.320 -13.254 -8.236 1.00 20.34 H new ATOM 0 HB2 ALA A 37 37.366 -13.339 -6.736 1.00 20.34 H new ATOM 0 HB3 ALA A 37 37.982 -14.832 -7.486 1.00 20.34 H new ATOM 544 N ASP A 38 36.076 -15.775 -10.084 1.00 62.14 N ATOM 545 CA ASP A 38 36.284 -16.479 -11.343 1.00 4.12 C ATOM 546 C ASP A 38 35.032 -16.416 -12.215 1.00 0.42 C ATOM 547 O ASP A 38 34.781 -17.309 -13.024 1.00 23.13 O ATOM 548 CB ASP A 38 36.664 -17.937 -11.081 1.00 0.10 C ATOM 549 CG ASP A 38 37.474 -18.536 -12.215 1.00 65.21 C ATOM 550 OD1 ASP A 38 37.665 -17.845 -13.237 1.00 40.31 O1- ATOM 551 OD2 ASP A 38 37.915 -19.697 -12.079 1.00 5.41 O ATOM 0 H ASP A 38 35.502 -16.280 -9.409 1.00 62.14 H new ATOM 0 HA ASP A 38 37.100 -15.989 -11.874 1.00 4.12 H new ATOM 0 HB2 ASP A 38 37.237 -18.000 -10.156 1.00 0.10 H new ATOM 0 HB3 ASP A 38 35.758 -18.525 -10.935 1.00 0.10 H new ATOM 556 N ASP A 39 34.250 -15.357 -12.040 1.00 22.23 N ATOM 557 CA ASP A 39 33.024 -15.177 -12.809 1.00 13.11 C ATOM 558 C ASP A 39 32.084 -16.363 -12.619 1.00 31.25 C ATOM 559 O ASP A 39 31.262 -16.664 -13.485 1.00 44.13 O ATOM 560 CB ASP A 39 33.349 -15.001 -14.293 1.00 2.13 C ATOM 561 CG ASP A 39 34.044 -13.685 -14.583 1.00 55.52 C ATOM 562 OD1 ASP A 39 35.270 -13.599 -14.360 1.00 22.43 O ATOM 563 OD2 ASP A 39 33.362 -12.741 -15.032 1.00 75.13 O1- ATOM 0 H ASP A 39 34.443 -14.610 -11.373 1.00 22.23 H new ATOM 0 HA ASP A 39 32.525 -14.279 -12.445 1.00 13.11 H new ATOM 0 HB2 ASP A 39 33.984 -15.824 -14.623 1.00 2.13 H new ATOM 0 HB3 ASP A 39 32.428 -15.057 -14.873 1.00 2.13 H new ATOM 568 N THR A 40 32.211 -17.035 -11.479 1.00 30.11 N ATOM 569 CA THR A 40 31.375 -18.189 -11.175 1.00 25.33 C ATOM 570 C THR A 40 30.412 -17.886 -10.033 1.00 51.15 C ATOM 571 O THR A 40 30.373 -16.766 -9.522 1.00 63.30 O ATOM 572 CB THR A 40 32.227 -19.418 -10.801 1.00 62.55 C ATOM 573 OG1 THR A 40 32.923 -19.175 -9.573 1.00 73.04 O ATOM 574 CG2 THR A 40 33.227 -19.738 -11.902 1.00 33.22 C ATOM 0 H THR A 40 32.885 -16.799 -10.751 1.00 30.11 H new ATOM 0 HA THR A 40 30.805 -18.412 -12.077 1.00 25.33 H new ATOM 0 HB THR A 40 31.561 -20.272 -10.678 1.00 62.55 H new ATOM 0 HG1 THR A 40 33.461 -19.961 -9.341 1.00 73.04 H new ATOM 0 HG21 THR A 40 33.817 -20.609 -11.616 1.00 33.22 H new ATOM 0 HG22 THR A 40 32.693 -19.950 -12.828 1.00 33.22 H new ATOM 0 HG23 THR A 40 33.889 -18.885 -12.052 1.00 33.22 H new ATOM 582 N TRP A 41 29.639 -18.889 -9.635 1.00 51.02 N ATOM 583 CA TRP A 41 28.676 -18.730 -8.551 1.00 63.44 C ATOM 584 C TRP A 41 28.926 -19.749 -7.445 1.00 42.43 C ATOM 585 O TRP A 41 28.765 -20.951 -7.651 1.00 72.23 O ATOM 586 CB TRP A 41 27.249 -18.874 -9.083 1.00 61.33 C ATOM 587 CG TRP A 41 26.917 -17.896 -10.169 1.00 74.13 C ATOM 588 CD1 TRP A 41 26.859 -18.149 -11.510 1.00 3.01 C ATOM 589 CD2 TRP A 41 26.601 -16.509 -10.006 1.00 44.13 C ATOM 590 NE1 TRP A 41 26.526 -17.003 -12.190 1.00 54.41 N ATOM 591 CE2 TRP A 41 26.361 -15.983 -11.291 1.00 1.20 C ATOM 592 CE3 TRP A 41 26.495 -15.661 -8.900 1.00 51.42 C ATOM 593 CZ2 TRP A 41 26.023 -14.648 -11.496 1.00 72.03 C ATOM 594 CZ3 TRP A 41 26.160 -14.337 -9.107 1.00 23.02 C ATOM 595 CH2 TRP A 41 25.926 -13.841 -10.396 1.00 4.00 C ATOM 0 H TRP A 41 29.660 -19.822 -10.047 1.00 51.02 H new ATOM 0 HA TRP A 41 28.801 -17.731 -8.132 1.00 63.44 H new ATOM 0 HB2 TRP A 41 27.111 -19.887 -9.462 1.00 61.33 H new ATOM 0 HB3 TRP A 41 26.547 -18.743 -8.259 1.00 61.33 H new ATOM 0 HD1 TRP A 41 27.047 -19.109 -11.968 1.00 3.01 H new ATOM 0 HE1 TRP A 41 26.419 -16.924 -13.201 1.00 54.41 H new ATOM 0 HE3 TRP A 41 26.672 -16.034 -7.902 1.00 51.42 H new ATOM 0 HZ2 TRP A 41 25.844 -14.263 -12.489 1.00 72.03 H new ATOM 0 HZ3 TRP A 41 26.077 -13.672 -8.260 1.00 23.02 H new ATOM 0 HH2 TRP A 41 25.664 -12.801 -10.524 1.00 4.00 H new ATOM 606 N GLU A 42 29.321 -19.261 -6.273 1.00 14.31 N ATOM 607 CA GLU A 42 29.592 -20.132 -5.137 1.00 22.31 C ATOM 608 C GLU A 42 28.360 -20.268 -4.248 1.00 30.22 C ATOM 609 O GLU A 42 27.463 -19.424 -4.253 1.00 23.11 O ATOM 610 CB GLU A 42 30.766 -19.589 -4.319 1.00 42.11 C ATOM 611 CG GLU A 42 32.125 -20.018 -4.846 1.00 72.32 C ATOM 612 CD GLU A 42 33.172 -20.111 -3.753 1.00 0.20 C ATOM 613 OE1 GLU A 42 33.280 -19.157 -2.953 1.00 22.10 O1- ATOM 614 OE2 GLU A 42 33.883 -21.137 -3.698 1.00 22.45 O ATOM 0 H GLU A 42 29.460 -18.268 -6.086 1.00 14.31 H new ATOM 0 HA GLU A 42 29.851 -21.118 -5.523 1.00 22.31 H new ATOM 0 HB2 GLU A 42 30.717 -18.500 -4.308 1.00 42.11 H new ATOM 0 HB3 GLU A 42 30.664 -19.923 -3.287 1.00 42.11 H new ATOM 0 HG2 GLU A 42 32.031 -20.987 -5.337 1.00 72.32 H new ATOM 0 HG3 GLU A 42 32.458 -19.308 -5.603 1.00 72.32 H new ATOM 621 N PRO A 43 28.312 -21.357 -3.465 1.00 55.32 N ATOM 622 CA PRO A 43 27.195 -21.629 -2.556 1.00 0.45 C ATOM 623 C PRO A 43 27.155 -20.661 -1.380 1.00 61.23 C ATOM 624 O PRO A 43 28.097 -20.590 -0.590 1.00 55.41 O ATOM 625 CB PRO A 43 27.474 -23.053 -2.068 1.00 61.34 C ATOM 626 CG PRO A 43 28.948 -23.219 -2.208 1.00 40.42 C ATOM 627 CD PRO A 43 29.345 -22.404 -3.407 1.00 75.22 C ATOM 0 HA PRO A 43 26.230 -21.514 -3.050 1.00 0.45 H new ATOM 0 HB2 PRO A 43 27.157 -23.186 -1.034 1.00 61.34 H new ATOM 0 HB3 PRO A 43 26.934 -23.789 -2.664 1.00 61.34 H new ATOM 0 HG2 PRO A 43 29.466 -22.874 -1.313 1.00 40.42 H new ATOM 0 HG3 PRO A 43 29.211 -24.268 -2.345 1.00 40.42 H new ATOM 0 HD2 PRO A 43 30.342 -21.979 -3.292 1.00 75.22 H new ATOM 0 HD3 PRO A 43 29.358 -23.006 -4.316 1.00 75.22 H new ATOM 635 N PHE A 44 26.059 -19.917 -1.268 1.00 1.12 N ATOM 636 CA PHE A 44 25.898 -18.952 -0.186 1.00 62.35 C ATOM 637 C PHE A 44 24.888 -19.453 0.842 1.00 72.22 C ATOM 638 O PHE A 44 25.192 -19.550 2.031 1.00 41.04 O ATOM 639 CB PHE A 44 25.447 -17.600 -0.744 1.00 22.21 C ATOM 640 CG PHE A 44 25.273 -16.545 0.311 1.00 51.13 C ATOM 641 CD1 PHE A 44 26.376 -15.961 0.912 1.00 54.50 C ATOM 642 CD2 PHE A 44 24.008 -16.137 0.699 1.00 44.44 C ATOM 643 CE1 PHE A 44 26.219 -14.990 1.884 1.00 13.33 C ATOM 644 CE2 PHE A 44 23.844 -15.166 1.669 1.00 23.30 C ATOM 645 CZ PHE A 44 24.951 -14.591 2.262 1.00 2.44 C ATOM 0 H PHE A 44 25.270 -19.964 -1.913 1.00 1.12 H new ATOM 0 HA PHE A 44 26.863 -18.831 0.307 1.00 62.35 H new ATOM 0 HB2 PHE A 44 26.179 -17.255 -1.475 1.00 22.21 H new ATOM 0 HB3 PHE A 44 24.504 -17.731 -1.275 1.00 22.21 H new ATOM 0 HD1 PHE A 44 27.369 -16.267 0.618 1.00 54.50 H new ATOM 0 HD2 PHE A 44 23.139 -16.583 0.238 1.00 44.44 H new ATOM 0 HE1 PHE A 44 27.087 -14.544 2.347 1.00 13.33 H new ATOM 0 HE2 PHE A 44 22.852 -14.857 1.963 1.00 23.30 H new ATOM 0 HZ PHE A 44 24.826 -13.831 3.019 1.00 2.44 H new ATOM 655 N ALA A 45 23.684 -19.768 0.376 1.00 74.54 N ATOM 656 CA ALA A 45 22.628 -20.259 1.254 1.00 71.13 C ATOM 657 C ALA A 45 21.605 -21.079 0.477 1.00 63.11 C ATOM 658 O ALA A 45 21.688 -21.194 -0.746 1.00 0.42 O ATOM 659 CB ALA A 45 21.949 -19.098 1.964 1.00 14.12 C ATOM 0 H ALA A 45 23.415 -19.692 -0.605 1.00 74.54 H new ATOM 0 HA ALA A 45 23.084 -20.909 2.001 1.00 71.13 H new ATOM 0 HB1 ALA A 45 21.163 -19.480 2.616 1.00 14.12 H new ATOM 0 HB2 ALA A 45 22.683 -18.556 2.560 1.00 14.12 H new ATOM 0 HB3 ALA A 45 21.513 -18.425 1.226 1.00 14.12 H new ATOM 665 N SER A 46 20.640 -21.647 1.194 1.00 60.52 N ATOM 666 CA SER A 46 19.602 -22.461 0.571 1.00 52.32 C ATOM 667 C SER A 46 18.513 -22.816 1.578 1.00 40.50 C ATOM 668 O SER A 46 18.770 -22.916 2.778 1.00 65.02 O ATOM 669 CB SER A 46 20.209 -23.738 -0.014 1.00 70.12 C ATOM 670 OG SER A 46 19.253 -24.783 -0.057 1.00 13.53 O ATOM 0 H SER A 46 20.555 -21.559 2.207 1.00 60.52 H new ATOM 0 HA SER A 46 19.152 -21.880 -0.234 1.00 52.32 H new ATOM 0 HB2 SER A 46 20.582 -23.540 -1.019 1.00 70.12 H new ATOM 0 HB3 SER A 46 21.064 -24.047 0.588 1.00 70.12 H new ATOM 0 HG SER A 46 19.665 -25.587 -0.436 1.00 13.53 H new ATOM 676 N GLY A 47 17.295 -23.007 1.082 1.00 11.14 N ATOM 677 CA GLY A 47 16.185 -23.350 1.950 1.00 1.53 C ATOM 678 C GLY A 47 14.881 -23.501 1.192 1.00 63.12 C ATOM 679 O GLY A 47 14.833 -23.303 -0.022 1.00 62.23 O ATOM 0 H GLY A 47 17.057 -22.930 0.093 1.00 11.14 H new ATOM 0 HA2 GLY A 47 16.409 -24.281 2.470 1.00 1.53 H new ATOM 0 HA3 GLY A 47 16.072 -22.579 2.712 1.00 1.53 H new ATOM 683 N LYS A 48 13.820 -23.857 1.908 1.00 51.41 N ATOM 684 CA LYS A 48 12.508 -24.036 1.297 1.00 3.33 C ATOM 685 C LYS A 48 11.488 -23.080 1.907 1.00 14.54 C ATOM 686 O LYS A 48 11.667 -22.595 3.025 1.00 53.10 O ATOM 687 CB LYS A 48 12.036 -25.481 1.469 1.00 54.50 C ATOM 688 CG LYS A 48 12.914 -26.497 0.759 1.00 35.21 C ATOM 689 CD LYS A 48 12.488 -27.921 1.076 1.00 13.00 C ATOM 690 CE LYS A 48 13.481 -28.934 0.527 1.00 55.05 C ATOM 691 NZ LYS A 48 13.297 -30.279 1.140 1.00 60.34 N1+ ATOM 0 H LYS A 48 13.843 -24.027 2.913 1.00 51.41 H new ATOM 0 HA LYS A 48 12.597 -23.813 0.234 1.00 3.33 H new ATOM 0 HB2 LYS A 48 12.005 -25.720 2.532 1.00 54.50 H new ATOM 0 HB3 LYS A 48 11.017 -25.569 1.093 1.00 54.50 H new ATOM 0 HG2 LYS A 48 12.865 -26.333 -0.317 1.00 35.21 H new ATOM 0 HG3 LYS A 48 13.953 -26.352 1.056 1.00 35.21 H new ATOM 0 HD2 LYS A 48 12.400 -28.044 2.155 1.00 13.00 H new ATOM 0 HD3 LYS A 48 11.502 -28.110 0.652 1.00 13.00 H new ATOM 0 HE2 LYS A 48 13.364 -29.008 -0.554 1.00 55.05 H new ATOM 0 HE3 LYS A 48 14.497 -28.585 0.714 1.00 55.05 H new ATOM 0 HZ1 LYS A 48 13.992 -30.941 0.740 1.00 60.34 H new ATOM 0 HZ2 LYS A 48 13.434 -30.213 2.169 1.00 60.34 H new ATOM 0 HZ3 LYS A 48 12.336 -30.623 0.940 1.00 60.34 H new ATOM 705 N THR A 49 10.416 -22.814 1.167 1.00 35.43 N ATOM 706 CA THR A 49 9.367 -21.917 1.636 1.00 51.31 C ATOM 707 C THR A 49 8.343 -22.665 2.481 1.00 3.20 C ATOM 708 O THR A 49 8.348 -23.894 2.539 1.00 55.41 O ATOM 709 CB THR A 49 8.645 -21.235 0.459 1.00 40.10 C ATOM 710 OG1 THR A 49 7.960 -22.214 -0.330 1.00 34.44 O ATOM 711 CG2 THR A 49 9.632 -20.473 -0.413 1.00 72.54 C ATOM 0 H THR A 49 10.252 -23.207 0.240 1.00 35.43 H new ATOM 0 HA THR A 49 9.851 -21.155 2.247 1.00 51.31 H new ATOM 0 HB THR A 49 7.922 -20.528 0.866 1.00 40.10 H new ATOM 0 HG1 THR A 49 6.997 -22.031 -0.315 1.00 34.44 H new ATOM 0 HG21 THR A 49 9.099 -20.000 -1.238 1.00 72.54 H new ATOM 0 HG22 THR A 49 10.130 -19.709 0.184 1.00 72.54 H new ATOM 0 HG23 THR A 49 10.375 -21.164 -0.810 1.00 72.54 H new ATOM 719 N SER A 50 7.463 -21.914 3.137 1.00 13.14 N ATOM 720 CA SER A 50 6.433 -22.505 3.983 1.00 23.01 C ATOM 721 C SER A 50 5.041 -22.089 3.516 1.00 61.40 C ATOM 722 O SER A 50 4.878 -21.549 2.423 1.00 4.13 O ATOM 723 CB SER A 50 6.640 -22.091 5.440 1.00 14.25 C ATOM 724 OG SER A 50 8.014 -22.104 5.784 1.00 22.21 O ATOM 0 H SER A 50 7.443 -20.895 3.098 1.00 13.14 H new ATOM 0 HA SER A 50 6.513 -23.589 3.907 1.00 23.01 H new ATOM 0 HB2 SER A 50 6.232 -21.093 5.599 1.00 14.25 H new ATOM 0 HB3 SER A 50 6.092 -22.768 6.095 1.00 14.25 H new ATOM 0 HG SER A 50 8.119 -21.834 6.720 1.00 22.21 H new ATOM 730 N GLU A 51 4.041 -22.347 4.353 1.00 40.23 N ATOM 731 CA GLU A 51 2.664 -21.999 4.027 1.00 60.32 C ATOM 732 C GLU A 51 2.525 -20.501 3.770 1.00 42.55 C ATOM 733 O GLU A 51 1.560 -20.052 3.151 1.00 73.13 O ATOM 734 CB GLU A 51 1.725 -22.422 5.158 1.00 71.34 C ATOM 735 CG GLU A 51 2.243 -22.069 6.543 1.00 5.20 C ATOM 736 CD GLU A 51 1.201 -21.369 7.394 1.00 50.43 C ATOM 737 OE1 GLU A 51 1.016 -20.146 7.219 1.00 51.42 O1- ATOM 738 OE2 GLU A 51 0.571 -22.044 8.235 1.00 12.23 O ATOM 0 H GLU A 51 4.159 -22.796 5.261 1.00 40.23 H new ATOM 0 HA GLU A 51 2.389 -22.533 3.117 1.00 60.32 H new ATOM 0 HB2 GLU A 51 0.755 -21.948 5.010 1.00 71.34 H new ATOM 0 HB3 GLU A 51 1.565 -23.499 5.103 1.00 71.34 H new ATOM 0 HG2 GLU A 51 2.568 -22.979 7.048 1.00 5.20 H new ATOM 0 HG3 GLU A 51 3.119 -21.427 6.447 1.00 5.20 H new ATOM 745 N SER A 52 3.498 -19.733 4.250 1.00 0.31 N ATOM 746 CA SER A 52 3.484 -18.285 4.078 1.00 24.21 C ATOM 747 C SER A 52 4.239 -17.882 2.815 1.00 24.50 C ATOM 748 O SER A 52 4.096 -16.762 2.324 1.00 12.24 O ATOM 749 CB SER A 52 4.102 -17.598 5.297 1.00 63.01 C ATOM 750 OG SER A 52 4.016 -16.189 5.187 1.00 15.33 O ATOM 0 H SER A 52 4.306 -20.089 4.761 1.00 0.31 H new ATOM 0 HA SER A 52 2.447 -17.966 3.979 1.00 24.21 H new ATOM 0 HB2 SER A 52 3.591 -17.927 6.202 1.00 63.01 H new ATOM 0 HB3 SER A 52 5.146 -17.895 5.395 1.00 63.01 H new ATOM 0 HG SER A 52 4.080 -15.930 4.244 1.00 15.33 H new ATOM 756 N GLY A 53 5.045 -18.802 2.295 1.00 45.14 N ATOM 757 CA GLY A 53 5.813 -18.524 1.095 1.00 60.22 C ATOM 758 C GLY A 53 7.073 -17.732 1.382 1.00 74.10 C ATOM 759 O GLY A 53 7.849 -17.440 0.474 1.00 12.51 O ATOM 0 H GLY A 53 5.180 -19.735 2.683 1.00 45.14 H new ATOM 0 HA2 GLY A 53 6.081 -19.464 0.613 1.00 60.22 H new ATOM 0 HA3 GLY A 53 5.192 -17.970 0.391 1.00 60.22 H new ATOM 763 N GLU A 54 7.275 -17.384 2.649 1.00 43.33 N ATOM 764 CA GLU A 54 8.448 -16.619 3.052 1.00 51.21 C ATOM 765 C GLU A 54 9.575 -17.546 3.501 1.00 32.34 C ATOM 766 O GLU A 54 9.334 -18.559 4.159 1.00 45.34 O ATOM 767 CB GLU A 54 8.090 -15.650 4.180 1.00 52.21 C ATOM 768 CG GLU A 54 7.597 -16.339 5.441 1.00 3.13 C ATOM 769 CD GLU A 54 6.575 -15.511 6.196 1.00 12.04 C ATOM 770 OE1 GLU A 54 6.372 -14.336 5.826 1.00 73.43 O1- ATOM 771 OE2 GLU A 54 5.979 -16.039 7.158 1.00 3.21 O ATOM 0 H GLU A 54 6.642 -17.620 3.413 1.00 43.33 H new ATOM 0 HA GLU A 54 8.792 -16.049 2.189 1.00 51.21 H new ATOM 0 HB2 GLU A 54 8.966 -15.049 4.423 1.00 52.21 H new ATOM 0 HB3 GLU A 54 7.321 -14.963 3.827 1.00 52.21 H new ATOM 0 HG2 GLU A 54 7.157 -17.300 5.177 1.00 3.13 H new ATOM 0 HG3 GLU A 54 8.446 -16.545 6.093 1.00 3.13 H new ATOM 778 N LEU A 55 10.803 -17.192 3.142 1.00 2.41 N ATOM 779 CA LEU A 55 11.967 -17.992 3.507 1.00 22.44 C ATOM 780 C LEU A 55 13.074 -17.113 4.080 1.00 75.42 C ATOM 781 O LEU A 55 13.751 -16.390 3.348 1.00 42.00 O ATOM 782 CB LEU A 55 12.488 -18.756 2.288 1.00 1.43 C ATOM 783 CG LEU A 55 13.818 -19.487 2.472 1.00 62.34 C ATOM 784 CD1 LEU A 55 13.767 -20.390 3.696 1.00 65.40 C ATOM 785 CD2 LEU A 55 14.162 -20.291 1.228 1.00 12.22 C ATOM 0 H LEU A 55 11.019 -16.356 2.598 1.00 2.41 H new ATOM 0 HA LEU A 55 11.661 -18.705 4.272 1.00 22.44 H new ATOM 0 HB2 LEU A 55 11.734 -19.485 1.992 1.00 1.43 H new ATOM 0 HB3 LEU A 55 12.594 -18.053 1.462 1.00 1.43 H new ATOM 0 HG LEU A 55 14.600 -18.744 2.627 1.00 62.34 H new ATOM 0 HD11 LEU A 55 14.722 -20.902 3.811 1.00 65.40 H new ATOM 0 HD12 LEU A 55 13.569 -19.789 4.583 1.00 65.40 H new ATOM 0 HD13 LEU A 55 12.973 -21.127 3.572 1.00 65.40 H new ATOM 0 HD21 LEU A 55 15.112 -20.804 1.378 1.00 12.22 H new ATOM 0 HD22 LEU A 55 13.378 -21.025 1.041 1.00 12.22 H new ATOM 0 HD23 LEU A 55 14.243 -19.621 0.372 1.00 12.22 H new ATOM 797 N HIS A 56 13.254 -17.179 5.396 1.00 62.22 N ATOM 798 CA HIS A 56 14.280 -16.392 6.069 1.00 52.21 C ATOM 799 C HIS A 56 15.204 -17.288 6.886 1.00 65.14 C ATOM 800 O HIS A 56 14.963 -18.487 7.022 1.00 61.43 O ATOM 801 CB HIS A 56 13.636 -15.342 6.974 1.00 44.24 C ATOM 802 CG HIS A 56 12.517 -15.880 7.811 1.00 31.34 C ATOM 803 ND1 HIS A 56 12.686 -16.300 9.114 1.00 24.42 N ATOM 804 CD2 HIS A 56 11.206 -16.063 7.525 1.00 65.14 C ATOM 805 CE1 HIS A 56 11.527 -16.720 9.592 1.00 13.10 C ATOM 806 NE2 HIS A 56 10.614 -16.587 8.649 1.00 75.35 N ATOM 0 H HIS A 56 12.702 -17.770 6.017 1.00 62.22 H new ATOM 0 HA HIS A 56 14.874 -15.888 5.307 1.00 52.21 H new ATOM 0 HB2 HIS A 56 14.399 -14.921 7.629 1.00 44.24 H new ATOM 0 HB3 HIS A 56 13.259 -14.526 6.358 1.00 44.24 H new ATOM 0 HD2 HIS A 56 10.717 -15.839 6.588 1.00 65.14 H new ATOM 0 HE1 HIS A 56 11.357 -17.106 10.586 1.00 13.10 H new ATOM 0 HE2 HIS A 56 9.628 -16.833 8.740 1.00 75.35 H new ATOM 814 N GLY A 57 16.266 -16.699 7.430 1.00 54.50 N ATOM 815 CA GLY A 57 17.211 -17.460 8.226 1.00 51.11 C ATOM 816 C GLY A 57 18.220 -18.203 7.375 1.00 44.14 C ATOM 817 O GLY A 57 18.820 -19.181 7.823 1.00 3.50 O ATOM 0 H GLY A 57 16.488 -15.708 7.333 1.00 54.50 H new ATOM 0 HA2 GLY A 57 17.737 -16.786 8.902 1.00 51.11 H new ATOM 0 HA3 GLY A 57 16.668 -18.173 8.846 1.00 51.11 H new ATOM 821 N LEU A 58 18.408 -17.741 6.143 1.00 1.11 N ATOM 822 CA LEU A 58 19.351 -18.371 5.226 1.00 53.45 C ATOM 823 C LEU A 58 20.784 -18.202 5.719 1.00 62.15 C ATOM 824 O LEU A 58 21.494 -19.183 5.947 1.00 35.35 O ATOM 825 CB LEU A 58 19.207 -17.773 3.825 1.00 64.24 C ATOM 826 CG LEU A 58 18.215 -18.472 2.896 1.00 4.24 C ATOM 827 CD1 LEU A 58 18.127 -17.743 1.564 1.00 55.53 C ATOM 828 CD2 LEU A 58 18.615 -19.925 2.685 1.00 62.04 C ATOM 0 H LEU A 58 17.920 -16.933 5.757 1.00 1.11 H new ATOM 0 HA LEU A 58 19.124 -19.436 5.184 1.00 53.45 H new ATOM 0 HB2 LEU A 58 18.907 -16.730 3.926 1.00 64.24 H new ATOM 0 HB3 LEU A 58 20.187 -17.778 3.347 1.00 64.24 H new ATOM 0 HG LEU A 58 17.231 -18.451 3.364 1.00 4.24 H new ATOM 0 HD11 LEU A 58 17.416 -18.255 0.915 1.00 55.53 H new ATOM 0 HD12 LEU A 58 17.794 -16.719 1.731 1.00 55.53 H new ATOM 0 HD13 LEU A 58 19.108 -17.732 1.090 1.00 55.53 H new ATOM 0 HD21 LEU A 58 17.898 -20.407 2.021 1.00 62.04 H new ATOM 0 HD22 LEU A 58 19.608 -19.968 2.238 1.00 62.04 H new ATOM 0 HD23 LEU A 58 18.626 -20.442 3.644 1.00 62.04 H new ATOM 840 N THR A 59 21.206 -16.952 5.883 1.00 11.10 N ATOM 841 CA THR A 59 22.554 -16.655 6.349 1.00 32.02 C ATOM 842 C THR A 59 22.532 -15.622 7.471 1.00 65.34 C ATOM 843 O THR A 59 21.467 -15.173 7.896 1.00 12.31 O ATOM 844 CB THR A 59 23.442 -16.132 5.204 1.00 50.44 C ATOM 845 OG1 THR A 59 22.744 -15.126 4.462 1.00 55.13 O ATOM 846 CG2 THR A 59 23.847 -17.266 4.273 1.00 44.44 C ATOM 0 H THR A 59 20.633 -16.129 5.700 1.00 11.10 H new ATOM 0 HA THR A 59 22.971 -17.589 6.725 1.00 32.02 H new ATOM 0 HB THR A 59 24.343 -15.701 5.641 1.00 50.44 H new ATOM 0 HG1 THR A 59 23.295 -14.837 3.705 1.00 55.13 H new ATOM 0 HG21 THR A 59 24.474 -16.873 3.472 1.00 44.44 H new ATOM 0 HG22 THR A 59 24.404 -18.016 4.834 1.00 44.44 H new ATOM 0 HG23 THR A 59 22.954 -17.722 3.845 1.00 44.44 H new ATOM 854 N THR A 60 23.715 -15.250 7.949 1.00 54.44 N ATOM 855 CA THR A 60 23.832 -14.270 9.023 1.00 13.13 C ATOM 856 C THR A 60 24.333 -12.931 8.493 1.00 21.15 C ATOM 857 O THR A 60 24.684 -12.810 7.320 1.00 14.52 O ATOM 858 CB THR A 60 24.784 -14.761 10.129 1.00 25.41 C ATOM 859 OG1 THR A 60 26.044 -15.134 9.561 1.00 64.13 O ATOM 860 CG2 THR A 60 24.186 -15.946 10.872 1.00 52.01 C ATOM 0 H THR A 60 24.606 -15.612 7.610 1.00 54.44 H new ATOM 0 HA THR A 60 22.835 -14.140 9.444 1.00 13.13 H new ATOM 0 HB THR A 60 24.932 -13.946 10.838 1.00 25.41 H new ATOM 0 HG1 THR A 60 26.644 -15.443 10.271 1.00 64.13 H new ATOM 0 HG21 THR A 60 24.877 -16.275 11.648 1.00 52.01 H new ATOM 0 HG22 THR A 60 23.241 -15.650 11.328 1.00 52.01 H new ATOM 0 HG23 THR A 60 24.011 -16.763 10.172 1.00 52.01 H new ATOM 868 N GLU A 61 24.364 -11.929 9.366 1.00 22.20 N ATOM 869 CA GLU A 61 24.824 -10.599 8.985 1.00 34.44 C ATOM 870 C GLU A 61 26.341 -10.571 8.825 1.00 75.15 C ATOM 871 O GLU A 61 26.880 -9.774 8.058 1.00 20.20 O ATOM 872 CB GLU A 61 24.390 -9.567 10.029 1.00 63.34 C ATOM 873 CG GLU A 61 24.253 -8.159 9.473 1.00 15.31 C ATOM 874 CD GLU A 61 23.849 -7.151 10.531 1.00 74.31 C ATOM 875 OE1 GLU A 61 23.059 -7.516 11.428 1.00 31.33 O ATOM 876 OE2 GLU A 61 24.322 -5.998 10.462 1.00 53.10 O1- ATOM 0 H GLU A 61 24.076 -12.013 10.341 1.00 22.20 H new ATOM 0 HA GLU A 61 24.372 -10.348 8.026 1.00 34.44 H new ATOM 0 HB2 GLU A 61 23.436 -9.874 10.456 1.00 63.34 H new ATOM 0 HB3 GLU A 61 25.115 -9.558 10.842 1.00 63.34 H new ATOM 0 HG2 GLU A 61 25.201 -7.854 9.029 1.00 15.31 H new ATOM 0 HG3 GLU A 61 23.512 -8.158 8.674 1.00 15.31 H new ATOM 883 N GLU A 62 27.022 -11.448 9.556 1.00 42.53 N ATOM 884 CA GLU A 62 28.478 -11.523 9.497 1.00 43.33 C ATOM 885 C GLU A 62 28.935 -12.229 8.223 1.00 65.32 C ATOM 886 O GLU A 62 30.039 -11.996 7.735 1.00 62.24 O ATOM 887 CB GLU A 62 29.024 -12.257 10.723 1.00 54.13 C ATOM 888 CG GLU A 62 28.389 -11.813 12.030 1.00 32.32 C ATOM 889 CD GLU A 62 29.417 -11.438 13.080 1.00 63.21 C ATOM 890 OE1 GLU A 62 30.251 -10.551 12.801 1.00 12.42 O ATOM 891 OE2 GLU A 62 29.387 -12.030 14.179 1.00 22.34 O1- ATOM 0 H GLU A 62 26.590 -12.116 10.195 1.00 42.53 H new ATOM 0 HA GLU A 62 28.868 -10.505 9.489 1.00 43.33 H new ATOM 0 HB2 GLU A 62 28.864 -13.328 10.596 1.00 54.13 H new ATOM 0 HB3 GLU A 62 30.101 -12.100 10.780 1.00 54.13 H new ATOM 0 HG2 GLU A 62 27.739 -10.959 11.842 1.00 32.32 H new ATOM 0 HG3 GLU A 62 27.759 -12.615 12.414 1.00 32.32 H new ATOM 898 N GLU A 63 28.075 -13.093 7.691 1.00 72.05 N ATOM 899 CA GLU A 63 28.391 -13.834 6.476 1.00 4.24 C ATOM 900 C GLU A 63 27.855 -13.111 5.243 1.00 63.22 C ATOM 901 O GLU A 63 28.422 -13.212 4.155 1.00 24.32 O ATOM 902 CB GLU A 63 27.807 -15.246 6.546 1.00 2.20 C ATOM 903 CG GLU A 63 27.931 -16.022 5.246 1.00 63.03 C ATOM 904 CD GLU A 63 29.367 -16.144 4.773 1.00 12.25 C ATOM 905 OE1 GLU A 63 30.157 -16.837 5.450 1.00 44.51 O1- ATOM 906 OE2 GLU A 63 29.700 -15.547 3.729 1.00 13.21 O ATOM 0 H GLU A 63 27.155 -13.296 8.082 1.00 72.05 H new ATOM 0 HA GLU A 63 29.476 -13.901 6.394 1.00 4.24 H new ATOM 0 HB2 GLU A 63 28.311 -15.799 7.339 1.00 2.20 H new ATOM 0 HB3 GLU A 63 26.754 -15.181 6.821 1.00 2.20 H new ATOM 0 HG2 GLU A 63 27.511 -17.019 5.381 1.00 63.03 H new ATOM 0 HG3 GLU A 63 27.339 -15.529 4.475 1.00 63.03 H new ATOM 913 N PHE A 64 26.758 -12.382 5.423 1.00 65.55 N ATOM 914 CA PHE A 64 26.144 -11.644 4.326 1.00 2.44 C ATOM 915 C PHE A 64 27.013 -10.459 3.914 1.00 64.41 C ATOM 916 O PHE A 64 27.113 -9.468 4.637 1.00 23.03 O ATOM 917 CB PHE A 64 24.752 -11.154 4.730 1.00 11.52 C ATOM 918 CG PHE A 64 23.969 -10.566 3.590 1.00 62.32 C ATOM 919 CD1 PHE A 64 23.187 -11.373 2.780 1.00 23.14 C ATOM 920 CD2 PHE A 64 24.015 -9.206 3.330 1.00 2.21 C ATOM 921 CE1 PHE A 64 22.467 -10.835 1.730 1.00 23.23 C ATOM 922 CE2 PHE A 64 23.296 -8.662 2.282 1.00 22.10 C ATOM 923 CZ PHE A 64 22.521 -9.478 1.482 1.00 20.10 C ATOM 0 H PHE A 64 26.277 -12.287 6.317 1.00 65.55 H new ATOM 0 HA PHE A 64 26.052 -12.318 3.474 1.00 2.44 H new ATOM 0 HB2 PHE A 64 24.191 -11.987 5.154 1.00 11.52 H new ATOM 0 HB3 PHE A 64 24.853 -10.405 5.515 1.00 11.52 H new ATOM 0 HD1 PHE A 64 23.139 -12.435 2.971 1.00 23.14 H new ATOM 0 HD2 PHE A 64 24.619 -8.563 3.953 1.00 2.21 H new ATOM 0 HE1 PHE A 64 21.863 -11.475 1.104 1.00 23.23 H new ATOM 0 HE2 PHE A 64 23.340 -7.600 2.089 1.00 22.10 H new ATOM 0 HZ PHE A 64 21.958 -9.055 0.663 1.00 20.10 H new ATOM 933 N VAL A 65 27.639 -10.570 2.748 1.00 21.05 N ATOM 934 CA VAL A 65 28.500 -9.509 2.238 1.00 15.40 C ATOM 935 C VAL A 65 27.901 -8.867 0.991 1.00 44.42 C ATOM 936 O VAL A 65 26.822 -9.250 0.541 1.00 15.41 O ATOM 937 CB VAL A 65 29.907 -10.039 1.904 1.00 4.22 C ATOM 938 CG1 VAL A 65 30.646 -10.429 3.174 1.00 44.35 C ATOM 939 CG2 VAL A 65 29.818 -11.217 0.944 1.00 3.14 C ATOM 0 H VAL A 65 27.567 -11.384 2.138 1.00 21.05 H new ATOM 0 HA VAL A 65 28.580 -8.760 3.026 1.00 15.40 H new ATOM 0 HB VAL A 65 30.470 -9.244 1.415 1.00 4.22 H new ATOM 0 HG11 VAL A 65 31.638 -10.801 2.918 1.00 44.35 H new ATOM 0 HG12 VAL A 65 30.741 -9.558 3.822 1.00 44.35 H new ATOM 0 HG13 VAL A 65 30.089 -11.208 3.694 1.00 44.35 H new ATOM 0 HG21 VAL A 65 30.821 -11.579 0.719 1.00 3.14 H new ATOM 0 HG22 VAL A 65 29.238 -12.017 1.403 1.00 3.14 H new ATOM 0 HG23 VAL A 65 29.331 -10.899 0.022 1.00 3.14 H new ATOM 949 N GLU A 66 28.610 -7.888 0.437 1.00 71.12 N ATOM 950 CA GLU A 66 28.147 -7.193 -0.758 1.00 72.12 C ATOM 951 C GLU A 66 28.550 -7.952 -2.019 1.00 23.14 C ATOM 952 O GLU A 66 29.397 -8.844 -1.976 1.00 1.30 O ATOM 953 CB GLU A 66 28.716 -5.773 -0.801 1.00 3.54 C ATOM 954 CG GLU A 66 30.191 -5.718 -1.158 1.00 73.15 C ATOM 955 CD GLU A 66 30.788 -4.339 -0.961 1.00 11.41 C ATOM 956 OE1 GLU A 66 30.480 -3.699 0.067 1.00 63.51 O ATOM 957 OE2 GLU A 66 31.565 -3.899 -1.833 1.00 4.44 O1- ATOM 0 H GLU A 66 29.506 -7.559 0.796 1.00 71.12 H new ATOM 0 HA GLU A 66 27.059 -7.140 -0.718 1.00 72.12 H new ATOM 0 HB2 GLU A 66 28.153 -5.187 -1.528 1.00 3.54 H new ATOM 0 HB3 GLU A 66 28.568 -5.302 0.171 1.00 3.54 H new ATOM 0 HG2 GLU A 66 30.736 -6.437 -0.546 1.00 73.15 H new ATOM 0 HG3 GLU A 66 30.321 -6.021 -2.197 1.00 73.15 H new ATOM 964 N GLY A 67 27.937 -7.591 -3.142 1.00 24.52 N ATOM 965 CA GLY A 67 28.243 -8.248 -4.399 1.00 43.11 C ATOM 966 C GLY A 67 27.006 -8.788 -5.089 1.00 53.01 C ATOM 967 O GLY A 67 25.882 -8.510 -4.669 1.00 30.33 O ATOM 0 H GLY A 67 27.234 -6.855 -3.204 1.00 24.52 H new ATOM 0 HA2 GLY A 67 28.745 -7.543 -5.061 1.00 43.11 H new ATOM 0 HA3 GLY A 67 28.940 -9.066 -4.217 1.00 43.11 H new ATOM 971 N ILE A 68 27.212 -9.563 -6.149 1.00 63.14 N ATOM 972 CA ILE A 68 26.104 -10.143 -6.897 1.00 74.20 C ATOM 973 C ILE A 68 25.758 -11.534 -6.377 1.00 31.45 C ATOM 974 O ILE A 68 26.633 -12.279 -5.937 1.00 12.54 O ATOM 975 CB ILE A 68 26.425 -10.235 -8.400 1.00 73.34 C ATOM 976 CG1 ILE A 68 26.992 -8.906 -8.904 1.00 50.12 C ATOM 977 CG2 ILE A 68 25.181 -10.618 -9.186 1.00 20.00 C ATOM 978 CD1 ILE A 68 28.499 -8.904 -9.038 1.00 72.12 C ATOM 0 H ILE A 68 28.136 -9.803 -6.509 1.00 63.14 H new ATOM 0 HA ILE A 68 25.249 -9.482 -6.757 1.00 74.20 H new ATOM 0 HB ILE A 68 27.177 -11.010 -8.549 1.00 73.34 H new ATOM 0 HG12 ILE A 68 26.549 -8.675 -9.873 1.00 50.12 H new ATOM 0 HG13 ILE A 68 26.695 -8.111 -8.220 1.00 50.12 H new ATOM 0 HG21 ILE A 68 25.425 -10.679 -10.247 1.00 20.00 H new ATOM 0 HG22 ILE A 68 24.817 -11.586 -8.842 1.00 20.00 H new ATOM 0 HG23 ILE A 68 24.408 -9.864 -9.034 1.00 20.00 H new ATOM 0 HD11 ILE A 68 28.831 -7.931 -9.400 1.00 72.12 H new ATOM 0 HD12 ILE A 68 28.951 -9.103 -8.066 1.00 72.12 H new ATOM 0 HD13 ILE A 68 28.802 -9.676 -9.745 1.00 72.12 H new ATOM 990 N TYR A 69 24.476 -11.878 -6.431 1.00 70.53 N ATOM 991 CA TYR A 69 24.013 -13.179 -5.965 1.00 5.55 C ATOM 992 C TYR A 69 22.982 -13.767 -6.924 1.00 31.10 C ATOM 993 O TYR A 69 22.138 -13.050 -7.462 1.00 43.33 O ATOM 994 CB TYR A 69 23.412 -13.059 -4.564 1.00 75.15 C ATOM 995 CG TYR A 69 24.421 -12.686 -3.502 1.00 74.35 C ATOM 996 CD1 TYR A 69 24.793 -11.361 -3.303 1.00 43.05 C ATOM 997 CD2 TYR A 69 25.003 -13.656 -2.696 1.00 31.25 C ATOM 998 CE1 TYR A 69 25.714 -11.016 -2.335 1.00 42.14 C ATOM 999 CE2 TYR A 69 25.925 -13.321 -1.724 1.00 72.34 C ATOM 1000 CZ TYR A 69 26.278 -11.998 -1.548 1.00 12.51 C ATOM 1001 OH TYR A 69 27.196 -11.658 -0.581 1.00 52.05 O ATOM 0 H TYR A 69 23.739 -11.273 -6.793 1.00 70.53 H new ATOM 0 HA TYR A 69 24.872 -13.849 -5.928 1.00 5.55 H new ATOM 0 HB2 TYR A 69 22.621 -12.310 -4.580 1.00 75.15 H new ATOM 0 HB3 TYR A 69 22.947 -14.008 -4.295 1.00 75.15 H new ATOM 0 HD1 TYR A 69 24.354 -10.589 -3.917 1.00 43.05 H new ATOM 0 HD2 TYR A 69 24.729 -14.692 -2.832 1.00 31.25 H new ATOM 0 HE1 TYR A 69 25.992 -9.982 -2.194 1.00 42.14 H new ATOM 0 HE2 TYR A 69 26.367 -14.089 -1.106 1.00 72.34 H new ATOM 0 HH TYR A 69 26.868 -10.885 -0.076 1.00 52.05 H new ATOM 1011 N LYS A 70 23.057 -15.076 -7.133 1.00 53.33 N ATOM 1012 CA LYS A 70 22.130 -15.764 -8.025 1.00 53.10 C ATOM 1013 C LYS A 70 21.198 -16.681 -7.239 1.00 14.23 C ATOM 1014 O LYS A 70 21.649 -17.527 -6.467 1.00 71.33 O ATOM 1015 CB LYS A 70 22.902 -16.576 -9.068 1.00 4.23 C ATOM 1016 CG LYS A 70 22.019 -17.162 -10.156 1.00 73.02 C ATOM 1017 CD LYS A 70 22.768 -18.190 -10.988 1.00 24.44 C ATOM 1018 CE LYS A 70 22.831 -19.537 -10.285 1.00 24.25 C ATOM 1019 NZ LYS A 70 23.570 -20.549 -11.090 1.00 5.14 N1+ ATOM 0 H LYS A 70 23.751 -15.683 -6.697 1.00 53.33 H new ATOM 0 HA LYS A 70 21.527 -15.011 -8.533 1.00 53.10 H new ATOM 0 HB2 LYS A 70 23.656 -15.938 -9.528 1.00 4.23 H new ATOM 0 HB3 LYS A 70 23.432 -17.386 -8.567 1.00 4.23 H new ATOM 0 HG2 LYS A 70 21.143 -17.627 -9.704 1.00 73.02 H new ATOM 0 HG3 LYS A 70 21.658 -16.362 -10.803 1.00 73.02 H new ATOM 0 HD2 LYS A 70 22.277 -18.305 -11.954 1.00 24.44 H new ATOM 0 HD3 LYS A 70 23.779 -17.833 -11.185 1.00 24.44 H new ATOM 0 HE2 LYS A 70 23.316 -19.419 -9.316 1.00 24.25 H new ATOM 0 HE3 LYS A 70 21.819 -19.894 -10.093 1.00 24.25 H new ATOM 0 HZ1 LYS A 70 23.051 -21.450 -11.075 1.00 5.14 H new ATOM 0 HZ2 LYS A 70 23.657 -20.216 -12.071 1.00 5.14 H new ATOM 0 HZ3 LYS A 70 24.518 -20.689 -10.686 1.00 5.14 H new ATOM 1033 N VAL A 71 19.896 -16.508 -7.443 1.00 73.11 N ATOM 1034 CA VAL A 71 18.900 -17.322 -6.757 1.00 34.45 C ATOM 1035 C VAL A 71 18.216 -18.284 -7.721 1.00 63.22 C ATOM 1036 O VAL A 71 17.879 -17.916 -8.846 1.00 63.42 O ATOM 1037 CB VAL A 71 17.830 -16.445 -6.078 1.00 32.41 C ATOM 1038 CG1 VAL A 71 16.733 -17.311 -5.477 1.00 2.33 C ATOM 1039 CG2 VAL A 71 18.463 -15.559 -5.017 1.00 13.51 C ATOM 0 H VAL A 71 19.506 -15.811 -8.078 1.00 73.11 H new ATOM 0 HA VAL A 71 19.429 -17.893 -5.994 1.00 34.45 H new ATOM 0 HB VAL A 71 17.379 -15.802 -6.833 1.00 32.41 H new ATOM 0 HG11 VAL A 71 15.986 -16.675 -5.002 1.00 2.33 H new ATOM 0 HG12 VAL A 71 16.261 -17.899 -6.264 1.00 2.33 H new ATOM 0 HG13 VAL A 71 17.165 -17.981 -4.734 1.00 2.33 H new ATOM 0 HG21 VAL A 71 17.693 -14.947 -4.548 1.00 13.51 H new ATOM 0 HG22 VAL A 71 18.942 -16.182 -4.261 1.00 13.51 H new ATOM 0 HG23 VAL A 71 19.209 -14.913 -5.480 1.00 13.51 H new ATOM 1049 N GLU A 72 18.014 -19.519 -7.273 1.00 52.24 N ATOM 1050 CA GLU A 72 17.370 -20.535 -8.097 1.00 34.02 C ATOM 1051 C GLU A 72 16.176 -21.148 -7.372 1.00 45.41 C ATOM 1052 O GLU A 72 16.313 -21.685 -6.272 1.00 32.53 O ATOM 1053 CB GLU A 72 18.371 -21.630 -8.471 1.00 24.24 C ATOM 1054 CG GLU A 72 19.476 -21.154 -9.398 1.00 50.22 C ATOM 1055 CD GLU A 72 20.025 -22.266 -10.270 1.00 65.25 C ATOM 1056 OE1 GLU A 72 19.217 -22.995 -10.881 1.00 13.41 O ATOM 1057 OE2 GLU A 72 21.264 -22.408 -10.342 1.00 24.10 O1- ATOM 0 H GLU A 72 18.287 -19.840 -6.344 1.00 52.24 H new ATOM 0 HA GLU A 72 17.012 -20.054 -9.007 1.00 34.02 H new ATOM 0 HB2 GLU A 72 18.819 -22.028 -7.560 1.00 24.24 H new ATOM 0 HB3 GLU A 72 17.837 -22.451 -8.948 1.00 24.24 H new ATOM 0 HG2 GLU A 72 19.093 -20.355 -10.033 1.00 50.22 H new ATOM 0 HG3 GLU A 72 20.286 -20.730 -8.804 1.00 50.22 H new ATOM 1064 N ILE A 73 15.005 -21.063 -7.994 1.00 61.12 N ATOM 1065 CA ILE A 73 13.787 -21.610 -7.409 1.00 75.21 C ATOM 1066 C ILE A 73 13.340 -22.868 -8.145 1.00 61.50 C ATOM 1067 O ILE A 73 13.183 -22.863 -9.366 1.00 61.15 O ATOM 1068 CB ILE A 73 12.641 -20.581 -7.432 1.00 41.15 C ATOM 1069 CG1 ILE A 73 13.124 -19.235 -6.886 1.00 2.24 C ATOM 1070 CG2 ILE A 73 11.456 -21.090 -6.625 1.00 45.44 C ATOM 1071 CD1 ILE A 73 12.072 -18.149 -6.940 1.00 64.32 C ATOM 0 H ILE A 73 14.874 -20.620 -8.904 1.00 61.12 H new ATOM 0 HA ILE A 73 14.019 -21.861 -6.374 1.00 75.21 H new ATOM 0 HB ILE A 73 12.320 -20.440 -8.464 1.00 41.15 H new ATOM 0 HG12 ILE A 73 13.447 -19.366 -5.853 1.00 2.24 H new ATOM 0 HG13 ILE A 73 13.996 -18.913 -7.455 1.00 2.24 H new ATOM 0 HG21 ILE A 73 10.654 -20.352 -6.651 1.00 45.44 H new ATOM 0 HG22 ILE A 73 11.100 -22.027 -7.053 1.00 45.44 H new ATOM 0 HG23 ILE A 73 11.763 -21.256 -5.592 1.00 45.44 H new ATOM 0 HD11 ILE A 73 12.484 -17.223 -6.537 1.00 64.32 H new ATOM 0 HD12 ILE A 73 11.766 -17.990 -7.974 1.00 64.32 H new ATOM 0 HD13 ILE A 73 11.208 -18.450 -6.348 1.00 64.32 H new ATOM 1083 N ASP A 74 13.134 -23.945 -7.394 1.00 20.43 N ATOM 1084 CA ASP A 74 12.702 -25.210 -7.975 1.00 51.21 C ATOM 1085 C ASP A 74 11.185 -25.350 -7.904 1.00 25.22 C ATOM 1086 O ASP A 74 10.651 -25.996 -7.003 1.00 75.54 O ATOM 1087 CB ASP A 74 13.369 -26.381 -7.251 1.00 1.22 C ATOM 1088 CG ASP A 74 14.682 -26.786 -7.891 1.00 72.00 C ATOM 1089 OD1 ASP A 74 15.339 -25.915 -8.497 1.00 14.52 O1- ATOM 1090 OD2 ASP A 74 15.052 -27.975 -7.787 1.00 5.22 O ATOM 0 H ASP A 74 13.259 -23.967 -6.382 1.00 20.43 H new ATOM 0 HA ASP A 74 13.001 -25.222 -9.023 1.00 51.21 H new ATOM 0 HB2 ASP A 74 13.544 -26.108 -6.210 1.00 1.22 H new ATOM 0 HB3 ASP A 74 12.692 -27.235 -7.247 1.00 1.22 H new ATOM 1095 N THR A 75 10.494 -24.738 -8.863 1.00 25.23 N ATOM 1096 CA THR A 75 9.038 -24.793 -8.908 1.00 73.01 C ATOM 1097 C THR A 75 8.551 -26.200 -9.231 1.00 65.31 C ATOM 1098 O THR A 75 7.430 -26.574 -8.884 1.00 53.44 O ATOM 1099 CB THR A 75 8.473 -23.814 -9.955 1.00 32.14 C ATOM 1100 OG1 THR A 75 8.658 -24.344 -11.273 1.00 31.11 O ATOM 1101 CG2 THR A 75 9.153 -22.457 -9.850 1.00 30.20 C ATOM 0 H THR A 75 10.920 -24.200 -9.617 1.00 25.23 H new ATOM 0 HA THR A 75 8.679 -24.506 -7.920 1.00 73.01 H new ATOM 0 HB THR A 75 7.408 -23.686 -9.761 1.00 32.14 H new ATOM 0 HG1 THR A 75 7.874 -24.875 -11.525 1.00 31.11 H new ATOM 0 HG21 THR A 75 8.738 -21.783 -10.599 1.00 30.20 H new ATOM 0 HG22 THR A 75 8.986 -22.042 -8.856 1.00 30.20 H new ATOM 0 HG23 THR A 75 10.224 -22.572 -10.020 1.00 30.20 H new ATOM 1109 N LYS A 76 9.399 -26.978 -9.894 1.00 33.31 N ATOM 1110 CA LYS A 76 9.055 -28.347 -10.262 1.00 53.53 C ATOM 1111 C LYS A 76 8.613 -29.143 -9.038 1.00 52.22 C ATOM 1112 O LYS A 76 7.775 -30.039 -9.139 1.00 33.40 O ATOM 1113 CB LYS A 76 10.250 -29.034 -10.926 1.00 42.11 C ATOM 1114 CG LYS A 76 11.383 -29.349 -9.965 1.00 35.11 C ATOM 1115 CD LYS A 76 11.326 -30.792 -9.490 1.00 64.45 C ATOM 1116 CE LYS A 76 12.712 -31.327 -9.165 1.00 4.34 C ATOM 1117 NZ LYS A 76 12.657 -32.456 -8.196 1.00 11.00 N1+ ATOM 0 H LYS A 76 10.330 -26.684 -10.188 1.00 33.31 H new ATOM 0 HA LYS A 76 8.226 -28.310 -10.969 1.00 53.53 H new ATOM 0 HB2 LYS A 76 9.913 -29.960 -11.392 1.00 42.11 H new ATOM 0 HB3 LYS A 76 10.629 -28.395 -11.723 1.00 42.11 H new ATOM 0 HG2 LYS A 76 12.339 -29.164 -10.455 1.00 35.11 H new ATOM 0 HG3 LYS A 76 11.330 -28.680 -9.106 1.00 35.11 H new ATOM 0 HD2 LYS A 76 10.692 -30.860 -8.606 1.00 64.45 H new ATOM 0 HD3 LYS A 76 10.867 -31.412 -10.260 1.00 64.45 H new ATOM 0 HE2 LYS A 76 13.197 -31.659 -10.083 1.00 4.34 H new ATOM 0 HE3 LYS A 76 13.324 -30.524 -8.753 1.00 4.34 H new ATOM 0 HZ1 LYS A 76 13.621 -32.793 -8.000 1.00 11.00 H new ATOM 0 HZ2 LYS A 76 12.217 -32.133 -7.311 1.00 11.00 H new ATOM 0 HZ3 LYS A 76 12.094 -33.232 -8.599 1.00 11.00 H new ATOM 1131 N SER A 77 9.181 -28.811 -7.883 1.00 50.35 N ATOM 1132 CA SER A 77 8.848 -29.498 -6.642 1.00 24.21 C ATOM 1133 C SER A 77 7.448 -29.115 -6.169 1.00 74.33 C ATOM 1134 O SER A 77 6.740 -29.923 -5.569 1.00 24.13 O ATOM 1135 CB SER A 77 9.874 -29.163 -5.557 1.00 2.11 C ATOM 1136 OG SER A 77 11.196 -29.337 -6.037 1.00 64.04 O ATOM 0 H SER A 77 9.874 -28.070 -7.782 1.00 50.35 H new ATOM 0 HA SER A 77 8.869 -30.571 -6.832 1.00 24.21 H new ATOM 0 HB2 SER A 77 9.736 -28.134 -5.226 1.00 2.11 H new ATOM 0 HB3 SER A 77 9.712 -29.801 -4.688 1.00 2.11 H new ATOM 0 HG SER A 77 11.834 -29.115 -5.327 1.00 64.04 H new ATOM 1142 N TYR A 78 7.057 -27.875 -6.443 1.00 62.35 N ATOM 1143 CA TYR A 78 5.743 -27.382 -6.044 1.00 72.42 C ATOM 1144 C TYR A 78 4.678 -27.789 -7.058 1.00 51.41 C ATOM 1145 O TYR A 78 3.504 -27.930 -6.717 1.00 23.54 O ATOM 1146 CB TYR A 78 5.770 -25.859 -5.898 1.00 12.14 C ATOM 1147 CG TYR A 78 4.453 -25.272 -5.443 1.00 1.42 C ATOM 1148 CD1 TYR A 78 3.792 -25.778 -4.331 1.00 30.23 C ATOM 1149 CD2 TYR A 78 3.869 -24.213 -6.127 1.00 70.41 C ATOM 1150 CE1 TYR A 78 2.589 -25.245 -3.911 1.00 24.52 C ATOM 1151 CE2 TYR A 78 2.667 -23.673 -5.715 1.00 34.34 C ATOM 1152 CZ TYR A 78 2.030 -24.192 -4.606 1.00 21.50 C ATOM 1153 OH TYR A 78 0.831 -23.658 -4.193 1.00 72.23 O ATOM 0 H TYR A 78 7.631 -27.193 -6.939 1.00 62.35 H new ATOM 0 HA TYR A 78 5.492 -27.828 -5.082 1.00 72.42 H new ATOM 0 HB2 TYR A 78 6.547 -25.584 -5.184 1.00 12.14 H new ATOM 0 HB3 TYR A 78 6.045 -25.415 -6.855 1.00 12.14 H new ATOM 0 HD1 TYR A 78 4.226 -26.603 -3.785 1.00 30.23 H new ATOM 0 HD2 TYR A 78 4.364 -23.805 -6.996 1.00 70.41 H new ATOM 0 HE1 TYR A 78 2.089 -25.650 -3.044 1.00 24.52 H new ATOM 0 HE2 TYR A 78 2.228 -22.849 -6.258 1.00 34.34 H new ATOM 0 HH TYR A 78 0.798 -22.707 -4.427 1.00 72.23 H new ATOM 1163 N TRP A 79 5.097 -27.976 -8.303 1.00 73.24 N ATOM 1164 CA TRP A 79 4.180 -28.368 -9.367 1.00 62.55 C ATOM 1165 C TRP A 79 3.866 -29.858 -9.295 1.00 11.32 C ATOM 1166 O TRP A 79 2.819 -30.306 -9.764 1.00 34.45 O ATOM 1167 CB TRP A 79 4.776 -28.026 -10.734 1.00 35.20 C ATOM 1168 CG TRP A 79 4.957 -26.555 -10.951 1.00 34.11 C ATOM 1169 CD1 TRP A 79 6.093 -25.922 -11.371 1.00 52.43 C ATOM 1170 CD2 TRP A 79 3.973 -25.532 -10.759 1.00 52.00 C ATOM 1171 NE1 TRP A 79 5.874 -24.567 -11.450 1.00 13.12 N ATOM 1172 CE2 TRP A 79 4.581 -24.303 -11.081 1.00 75.53 C ATOM 1173 CE3 TRP A 79 2.637 -25.536 -10.349 1.00 50.52 C ATOM 1174 CZ2 TRP A 79 3.899 -23.092 -11.003 1.00 52.21 C ATOM 1175 CZ3 TRP A 79 1.961 -24.333 -10.271 1.00 34.34 C ATOM 1176 CH2 TRP A 79 2.591 -23.125 -10.598 1.00 2.41 C ATOM 0 H TRP A 79 6.066 -27.863 -8.601 1.00 73.24 H new ATOM 0 HA TRP A 79 3.251 -27.813 -9.234 1.00 62.55 H new ATOM 0 HB2 TRP A 79 5.741 -28.523 -10.836 1.00 35.20 H new ATOM 0 HB3 TRP A 79 4.128 -28.424 -11.515 1.00 35.20 H new ATOM 0 HD1 TRP A 79 7.025 -26.414 -11.606 1.00 52.43 H new ATOM 0 HE1 TRP A 79 6.562 -23.871 -11.737 1.00 13.12 H new ATOM 0 HE3 TRP A 79 2.142 -26.462 -10.098 1.00 50.52 H new ATOM 0 HZ2 TRP A 79 4.384 -22.160 -11.253 1.00 52.21 H new ATOM 0 HZ3 TRP A 79 0.929 -24.324 -9.952 1.00 34.34 H new ATOM 0 HH2 TRP A 79 2.034 -22.202 -10.529 1.00 2.41 H new ATOM 1187 N LYS A 80 4.777 -30.622 -8.703 1.00 14.35 N ATOM 1188 CA LYS A 80 4.598 -32.063 -8.567 1.00 74.13 C ATOM 1189 C LYS A 80 3.673 -32.387 -7.397 1.00 72.35 C ATOM 1190 O LYS A 80 3.107 -33.478 -7.325 1.00 42.42 O ATOM 1191 CB LYS A 80 5.950 -32.750 -8.367 1.00 2.35 C ATOM 1192 CG LYS A 80 6.486 -32.640 -6.951 1.00 11.13 C ATOM 1193 CD LYS A 80 6.361 -33.957 -6.204 1.00 4.54 C ATOM 1194 CE LYS A 80 7.655 -34.756 -6.263 1.00 14.23 C ATOM 1195 NZ LYS A 80 7.462 -36.158 -5.801 1.00 15.12 N1+ ATOM 0 H LYS A 80 5.648 -30.267 -8.309 1.00 14.35 H new ATOM 0 HA LYS A 80 4.141 -32.435 -9.484 1.00 74.13 H new ATOM 0 HB2 LYS A 80 5.855 -33.804 -8.629 1.00 2.35 H new ATOM 0 HB3 LYS A 80 6.674 -32.315 -9.055 1.00 2.35 H new ATOM 0 HG2 LYS A 80 7.532 -32.335 -6.980 1.00 11.13 H new ATOM 0 HG3 LYS A 80 5.942 -31.863 -6.414 1.00 11.13 H new ATOM 0 HD2 LYS A 80 6.099 -33.763 -5.164 1.00 4.54 H new ATOM 0 HD3 LYS A 80 5.549 -34.544 -6.633 1.00 4.54 H new ATOM 0 HE2 LYS A 80 8.034 -34.759 -7.285 1.00 14.23 H new ATOM 0 HE3 LYS A 80 8.410 -34.271 -5.645 1.00 14.23 H new ATOM 0 HZ1 LYS A 80 8.366 -36.669 -5.856 1.00 15.12 H new ATOM 0 HZ2 LYS A 80 7.125 -36.156 -4.817 1.00 15.12 H new ATOM 0 HZ3 LYS A 80 6.760 -36.630 -6.406 1.00 15.12 H new ATOM 1209 N ALA A 81 3.525 -31.433 -6.483 1.00 25.24 N ATOM 1210 CA ALA A 81 2.667 -31.617 -5.320 1.00 60.14 C ATOM 1211 C ALA A 81 1.203 -31.734 -5.730 1.00 25.04 C ATOM 1212 O ALA A 81 0.439 -32.492 -5.132 1.00 75.40 O ATOM 1213 CB ALA A 81 2.853 -30.467 -4.340 1.00 62.23 C ATOM 0 H ALA A 81 3.988 -30.525 -6.526 1.00 25.24 H new ATOM 0 HA ALA A 81 2.955 -32.547 -4.831 1.00 60.14 H new ATOM 0 HB1 ALA A 81 2.206 -30.617 -3.476 1.00 62.23 H new ATOM 0 HB2 ALA A 81 3.892 -30.432 -4.013 1.00 62.23 H new ATOM 0 HB3 ALA A 81 2.594 -29.527 -4.828 1.00 62.23 H new ATOM 1219 N LEU A 82 0.818 -30.978 -6.751 1.00 43.21 N ATOM 1220 CA LEU A 82 -0.556 -30.995 -7.241 1.00 42.14 C ATOM 1221 C LEU A 82 -0.643 -31.699 -8.592 1.00 63.11 C ATOM 1222 O LEU A 82 -1.702 -32.188 -8.981 1.00 71.54 O ATOM 1223 CB LEU A 82 -1.094 -29.568 -7.361 1.00 1.31 C ATOM 1224 CG LEU A 82 -0.046 -28.456 -7.381 1.00 42.43 C ATOM 1225 CD1 LEU A 82 0.801 -28.542 -8.640 1.00 30.23 C ATOM 1226 CD2 LEU A 82 -0.714 -27.092 -7.278 1.00 52.23 C ATOM 0 H LEU A 82 1.438 -30.345 -7.256 1.00 43.21 H new ATOM 0 HA LEU A 82 -1.165 -31.546 -6.524 1.00 42.14 H new ATOM 0 HB2 LEU A 82 -1.685 -29.499 -8.274 1.00 1.31 H new ATOM 0 HB3 LEU A 82 -1.773 -29.386 -6.528 1.00 1.31 H new ATOM 0 HG LEU A 82 0.608 -28.585 -6.519 1.00 42.43 H new ATOM 0 HD11 LEU A 82 1.541 -27.742 -8.636 1.00 30.23 H new ATOM 0 HD12 LEU A 82 1.309 -29.506 -8.672 1.00 30.23 H new ATOM 0 HD13 LEU A 82 0.161 -28.440 -9.517 1.00 30.23 H new ATOM 0 HD21 LEU A 82 0.047 -26.312 -7.294 1.00 52.23 H new ATOM 0 HD22 LEU A 82 -1.392 -26.954 -8.120 1.00 52.23 H new ATOM 0 HD23 LEU A 82 -1.276 -27.032 -6.346 1.00 52.23 H new ATOM 1238 N GLY A 83 0.480 -31.747 -9.302 1.00 74.15 N ATOM 1239 CA GLY A 83 0.509 -32.394 -10.601 1.00 24.44 C ATOM 1240 C GLY A 83 0.233 -31.429 -11.737 1.00 53.33 C ATOM 1241 O GLY A 83 -0.564 -31.722 -12.629 1.00 44.53 O ATOM 0 H GLY A 83 1.370 -31.350 -9.001 1.00 74.15 H new ATOM 0 HA2 GLY A 83 1.484 -32.857 -10.751 1.00 24.44 H new ATOM 0 HA3 GLY A 83 -0.230 -33.195 -10.621 1.00 24.44 H new ATOM 1245 N ILE A 84 0.891 -30.275 -11.704 1.00 11.52 N ATOM 1246 CA ILE A 84 0.711 -29.264 -12.738 1.00 73.53 C ATOM 1247 C ILE A 84 1.684 -29.479 -13.893 1.00 73.31 C ATOM 1248 O ILE A 84 2.842 -29.838 -13.683 1.00 12.13 O ATOM 1249 CB ILE A 84 0.905 -27.844 -12.177 1.00 20.52 C ATOM 1250 CG1 ILE A 84 -0.450 -27.188 -11.906 1.00 42.11 C ATOM 1251 CG2 ILE A 84 1.725 -27.000 -13.141 1.00 54.52 C ATOM 1252 CD1 ILE A 84 -1.393 -28.058 -11.103 1.00 31.45 C ATOM 0 H ILE A 84 1.553 -30.017 -10.972 1.00 11.52 H new ATOM 0 HA ILE A 84 -0.311 -29.365 -13.103 1.00 73.53 H new ATOM 0 HB ILE A 84 1.448 -27.914 -11.234 1.00 20.52 H new ATOM 0 HG12 ILE A 84 -0.291 -26.251 -11.373 1.00 42.11 H new ATOM 0 HG13 ILE A 84 -0.920 -26.938 -12.857 1.00 42.11 H new ATOM 0 HG21 ILE A 84 1.853 -25.999 -12.730 1.00 54.52 H new ATOM 0 HG22 ILE A 84 2.702 -27.460 -13.287 1.00 54.52 H new ATOM 0 HG23 ILE A 84 1.208 -26.935 -14.098 1.00 54.52 H new ATOM 0 HD11 ILE A 84 -2.334 -27.529 -10.949 1.00 31.45 H new ATOM 0 HD12 ILE A 84 -1.582 -28.985 -11.644 1.00 31.45 H new ATOM 0 HD13 ILE A 84 -0.943 -28.287 -10.137 1.00 31.45 H new ATOM 1264 N SER A 85 1.204 -29.257 -15.112 1.00 52.21 N ATOM 1265 CA SER A 85 2.030 -29.429 -16.301 1.00 24.12 C ATOM 1266 C SER A 85 3.327 -28.636 -16.181 1.00 3.33 C ATOM 1267 O SER A 85 3.340 -27.406 -16.231 1.00 53.24 O ATOM 1268 CB SER A 85 1.263 -28.987 -17.549 1.00 54.52 C ATOM 1269 OG SER A 85 1.864 -29.501 -18.725 1.00 23.32 O ATOM 0 H SER A 85 0.248 -28.958 -15.302 1.00 52.21 H new ATOM 0 HA SER A 85 2.278 -30.487 -16.391 1.00 24.12 H new ATOM 0 HB2 SER A 85 0.230 -29.329 -17.485 1.00 54.52 H new ATOM 0 HB3 SER A 85 1.236 -27.898 -17.597 1.00 54.52 H new ATOM 0 HG SER A 85 1.355 -29.206 -19.508 1.00 23.32 H new ATOM 1275 N PRO A 86 4.447 -29.356 -16.017 1.00 42.12 N ATOM 1276 CA PRO A 86 5.772 -28.741 -15.887 1.00 71.24 C ATOM 1277 C PRO A 86 6.250 -28.111 -17.190 1.00 40.35 C ATOM 1278 O PRO A 86 6.656 -28.813 -18.117 1.00 12.43 O ATOM 1279 CB PRO A 86 6.672 -29.918 -15.499 1.00 45.12 C ATOM 1280 CG PRO A 86 5.979 -31.119 -16.041 1.00 24.31 C ATOM 1281 CD PRO A 86 4.506 -30.826 -15.948 1.00 65.12 C ATOM 0 HA PRO A 86 5.774 -27.927 -15.162 1.00 71.24 H new ATOM 0 HB2 PRO A 86 7.670 -29.811 -15.925 1.00 45.12 H new ATOM 0 HB3 PRO A 86 6.792 -29.985 -14.418 1.00 45.12 H new ATOM 0 HG2 PRO A 86 6.275 -31.307 -17.073 1.00 24.31 H new ATOM 0 HG3 PRO A 86 6.236 -32.010 -15.468 1.00 24.31 H new ATOM 0 HD2 PRO A 86 3.952 -31.289 -16.764 1.00 65.12 H new ATOM 0 HD3 PRO A 86 4.079 -31.202 -15.018 1.00 65.12 H new ATOM 1289 N MET A 87 6.201 -26.785 -17.253 1.00 43.33 N ATOM 1290 CA MET A 87 6.632 -26.061 -18.445 1.00 1.42 C ATOM 1291 C MET A 87 8.077 -25.594 -18.304 1.00 55.04 C ATOM 1292 O MET A 87 8.768 -25.372 -19.299 1.00 10.13 O ATOM 1293 CB MET A 87 5.717 -24.861 -18.696 1.00 20.04 C ATOM 1294 CG MET A 87 4.261 -25.240 -18.912 1.00 72.24 C ATOM 1295 SD MET A 87 3.463 -24.239 -20.181 1.00 22.31 S ATOM 1296 CE MET A 87 2.483 -25.478 -21.024 1.00 35.42 C ATOM 0 H MET A 87 5.868 -26.190 -16.495 1.00 43.33 H new ATOM 0 HA MET A 87 6.570 -26.740 -19.296 1.00 1.42 H new ATOM 0 HB2 MET A 87 5.784 -24.180 -17.848 1.00 20.04 H new ATOM 0 HB3 MET A 87 6.076 -24.318 -19.570 1.00 20.04 H new ATOM 0 HG2 MET A 87 4.201 -26.291 -19.193 1.00 72.24 H new ATOM 0 HG3 MET A 87 3.718 -25.130 -17.973 1.00 72.24 H new ATOM 0 HE1 MET A 87 1.929 -25.011 -21.839 1.00 35.42 H new ATOM 0 HE2 MET A 87 3.140 -26.249 -21.427 1.00 35.42 H new ATOM 0 HE3 MET A 87 1.783 -25.929 -20.321 1.00 35.42 H new ATOM 1306 N HIS A 88 8.527 -25.445 -17.062 1.00 0.52 N ATOM 1307 CA HIS A 88 9.891 -25.004 -16.792 1.00 51.21 C ATOM 1308 C HIS A 88 10.464 -25.724 -15.576 1.00 23.12 C ATOM 1309 O HIS A 88 9.742 -26.028 -14.626 1.00 50.35 O ATOM 1310 CB HIS A 88 9.925 -23.492 -16.567 1.00 24.12 C ATOM 1311 CG HIS A 88 11.213 -22.852 -16.987 1.00 62.11 C ATOM 1312 ND1 HIS A 88 11.289 -21.895 -17.976 1.00 74.54 N ATOM 1313 CD2 HIS A 88 12.479 -23.038 -16.546 1.00 20.22 C ATOM 1314 CE1 HIS A 88 12.547 -21.519 -18.126 1.00 21.10 C ATOM 1315 NE2 HIS A 88 13.290 -22.198 -17.270 1.00 3.14 N ATOM 0 H HIS A 88 7.968 -25.623 -16.228 1.00 0.52 H new ATOM 0 HA HIS A 88 10.504 -25.249 -17.659 1.00 51.21 H new ATOM 0 HB2 HIS A 88 9.104 -23.033 -17.118 1.00 24.12 H new ATOM 0 HB3 HIS A 88 9.754 -23.286 -15.510 1.00 24.12 H new ATOM 0 HD2 HIS A 88 12.793 -23.720 -15.770 1.00 20.22 H new ATOM 0 HE1 HIS A 88 12.907 -20.782 -18.829 1.00 21.10 H new ATOM 0 HE2 HIS A 88 14.301 -22.112 -17.164 1.00 3.14 H new ATOM 1323 N GLU A 89 11.766 -25.996 -15.613 1.00 53.32 N ATOM 1324 CA GLU A 89 12.433 -26.682 -14.513 1.00 13.34 C ATOM 1325 C GLU A 89 12.509 -25.788 -13.279 1.00 2.34 C ATOM 1326 O GLU A 89 11.776 -25.985 -12.310 1.00 33.31 O ATOM 1327 CB GLU A 89 13.841 -27.112 -14.931 1.00 13.54 C ATOM 1328 CG GLU A 89 13.855 -28.168 -16.025 1.00 22.51 C ATOM 1329 CD GLU A 89 13.788 -27.567 -17.416 1.00 44.10 C ATOM 1330 OE1 GLU A 89 14.849 -27.180 -17.948 1.00 31.10 O1- ATOM 1331 OE2 GLU A 89 12.672 -27.484 -17.971 1.00 63.34 O ATOM 0 H GLU A 89 12.378 -25.752 -16.392 1.00 53.32 H new ATOM 0 HA GLU A 89 11.848 -27.567 -14.263 1.00 13.34 H new ATOM 0 HB2 GLU A 89 14.392 -26.237 -15.275 1.00 13.54 H new ATOM 0 HB3 GLU A 89 14.368 -27.498 -14.058 1.00 13.54 H new ATOM 0 HG2 GLU A 89 14.761 -28.767 -15.935 1.00 22.51 H new ATOM 0 HG3 GLU A 89 13.011 -28.843 -15.884 1.00 22.51 H new ATOM 1338 N HIS A 90 13.402 -24.803 -13.322 1.00 12.33 N ATOM 1339 CA HIS A 90 13.574 -23.878 -12.208 1.00 64.04 C ATOM 1340 C HIS A 90 13.808 -22.457 -12.712 1.00 64.34 C ATOM 1341 O HIS A 90 14.277 -22.255 -13.832 1.00 61.10 O ATOM 1342 CB HIS A 90 14.745 -24.318 -11.329 1.00 14.33 C ATOM 1343 CG HIS A 90 15.976 -24.672 -12.104 1.00 22.52 C ATOM 1344 ND1 HIS A 90 16.466 -25.960 -12.192 1.00 21.34 N ATOM 1345 CD2 HIS A 90 16.818 -23.901 -12.831 1.00 24.13 C ATOM 1346 CE1 HIS A 90 17.556 -25.963 -12.938 1.00 42.11 C ATOM 1347 NE2 HIS A 90 17.791 -24.727 -13.339 1.00 64.31 N ATOM 0 H HIS A 90 14.017 -24.626 -14.116 1.00 12.33 H new ATOM 0 HA HIS A 90 12.659 -23.888 -11.615 1.00 64.04 H new ATOM 0 HB2 HIS A 90 14.984 -23.517 -10.629 1.00 14.33 H new ATOM 0 HB3 HIS A 90 14.439 -25.179 -10.735 1.00 14.33 H new ATOM 0 HD2 HIS A 90 16.739 -22.835 -12.983 1.00 24.13 H new ATOM 0 HE1 HIS A 90 18.154 -26.830 -13.179 1.00 42.11 H new ATOM 0 HE2 HIS A 90 18.569 -24.433 -13.930 1.00 64.31 H new ATOM 1355 N ALA A 91 13.476 -21.477 -11.880 1.00 30.43 N ATOM 1356 CA ALA A 91 13.651 -20.075 -12.241 1.00 4.31 C ATOM 1357 C ALA A 91 14.907 -19.495 -11.599 1.00 13.54 C ATOM 1358 O ALA A 91 15.016 -19.434 -10.375 1.00 55.12 O ATOM 1359 CB ALA A 91 12.426 -19.268 -11.834 1.00 53.12 C ATOM 0 H ALA A 91 13.084 -21.627 -10.950 1.00 30.43 H new ATOM 0 HA ALA A 91 13.768 -20.016 -13.323 1.00 4.31 H new ATOM 0 HB1 ALA A 91 12.571 -18.223 -12.110 1.00 53.12 H new ATOM 0 HB2 ALA A 91 11.546 -19.660 -12.345 1.00 53.12 H new ATOM 0 HB3 ALA A 91 12.283 -19.342 -10.756 1.00 53.12 H new ATOM 1365 N GLU A 92 15.850 -19.072 -12.434 1.00 71.53 N ATOM 1366 CA GLU A 92 17.099 -18.498 -11.946 1.00 22.11 C ATOM 1367 C GLU A 92 17.121 -16.986 -12.154 1.00 21.04 C ATOM 1368 O GLU A 92 16.795 -16.491 -13.233 1.00 35.42 O ATOM 1369 CB GLU A 92 18.293 -19.139 -12.657 1.00 20.12 C ATOM 1370 CG GLU A 92 18.138 -20.634 -12.878 1.00 3.34 C ATOM 1371 CD GLU A 92 17.805 -20.980 -14.316 1.00 5.13 C ATOM 1372 OE1 GLU A 92 16.962 -20.279 -14.916 1.00 51.43 O ATOM 1373 OE2 GLU A 92 18.388 -21.952 -14.842 1.00 1.44 O1- ATOM 0 H GLU A 92 15.774 -19.116 -13.450 1.00 71.53 H new ATOM 0 HA GLU A 92 17.169 -18.702 -10.877 1.00 22.11 H new ATOM 0 HB2 GLU A 92 18.436 -18.651 -13.621 1.00 20.12 H new ATOM 0 HB3 GLU A 92 19.194 -18.958 -12.071 1.00 20.12 H new ATOM 0 HG2 GLU A 92 19.061 -21.137 -12.592 1.00 3.34 H new ATOM 0 HG3 GLU A 92 17.352 -21.014 -12.225 1.00 3.34 H new ATOM 1380 N VAL A 93 17.508 -16.258 -11.112 1.00 13.33 N ATOM 1381 CA VAL A 93 17.574 -14.802 -11.179 1.00 70.50 C ATOM 1382 C VAL A 93 18.858 -14.280 -10.545 1.00 3.53 C ATOM 1383 O VAL A 93 19.341 -14.829 -9.554 1.00 12.13 O ATOM 1384 CB VAL A 93 16.366 -14.153 -10.477 1.00 51.30 C ATOM 1385 CG1 VAL A 93 16.467 -12.636 -10.535 1.00 23.41 C ATOM 1386 CG2 VAL A 93 15.066 -14.633 -11.103 1.00 45.53 C ATOM 0 H VAL A 93 17.781 -16.652 -10.211 1.00 13.33 H new ATOM 0 HA VAL A 93 17.559 -14.533 -12.235 1.00 70.50 H new ATOM 0 HB VAL A 93 16.371 -14.454 -9.429 1.00 51.30 H new ATOM 0 HG11 VAL A 93 15.605 -12.195 -10.034 1.00 23.41 H new ATOM 0 HG12 VAL A 93 17.381 -12.313 -10.037 1.00 23.41 H new ATOM 0 HG13 VAL A 93 16.487 -12.312 -11.576 1.00 23.41 H new ATOM 0 HG21 VAL A 93 14.223 -14.165 -10.595 1.00 45.53 H new ATOM 0 HG22 VAL A 93 15.049 -14.363 -12.159 1.00 45.53 H new ATOM 0 HG23 VAL A 93 14.993 -15.716 -11.004 1.00 45.53 H new ATOM 1396 N VAL A 94 19.406 -13.215 -11.121 1.00 2.22 N ATOM 1397 CA VAL A 94 20.634 -12.617 -10.611 1.00 2.02 C ATOM 1398 C VAL A 94 20.370 -11.233 -10.029 1.00 12.31 C ATOM 1399 O VAL A 94 19.699 -10.405 -10.646 1.00 50.11 O ATOM 1400 CB VAL A 94 21.703 -12.503 -11.714 1.00 14.01 C ATOM 1401 CG1 VAL A 94 22.964 -11.851 -11.169 1.00 20.21 C ATOM 1402 CG2 VAL A 94 22.012 -13.873 -12.299 1.00 30.43 C ATOM 0 H VAL A 94 19.019 -12.748 -11.941 1.00 2.22 H new ATOM 0 HA VAL A 94 21.004 -13.275 -9.824 1.00 2.02 H new ATOM 0 HB VAL A 94 21.312 -11.872 -12.512 1.00 14.01 H new ATOM 0 HG11 VAL A 94 23.708 -11.779 -11.962 1.00 20.21 H new ATOM 0 HG12 VAL A 94 22.728 -10.853 -10.801 1.00 20.21 H new ATOM 0 HG13 VAL A 94 23.361 -12.454 -10.352 1.00 20.21 H new ATOM 0 HG21 VAL A 94 22.769 -13.774 -13.077 1.00 30.43 H new ATOM 0 HG22 VAL A 94 22.384 -14.529 -11.512 1.00 30.43 H new ATOM 0 HG23 VAL A 94 21.105 -14.299 -12.728 1.00 30.43 H new ATOM 1412 N PHE A 95 20.903 -10.986 -8.837 1.00 1.21 N ATOM 1413 CA PHE A 95 20.725 -9.701 -8.170 1.00 71.43 C ATOM 1414 C PHE A 95 22.073 -9.054 -7.868 1.00 71.25 C ATOM 1415 O PHE A 95 22.950 -9.673 -7.264 1.00 40.21 O ATOM 1416 CB PHE A 95 19.930 -9.880 -6.875 1.00 71.11 C ATOM 1417 CG PHE A 95 18.634 -10.617 -7.064 1.00 42.22 C ATOM 1418 CD1 PHE A 95 18.609 -12.001 -7.112 1.00 51.32 C ATOM 1419 CD2 PHE A 95 17.441 -9.923 -7.193 1.00 41.22 C ATOM 1420 CE1 PHE A 95 17.418 -12.680 -7.286 1.00 43.10 C ATOM 1421 CE2 PHE A 95 16.247 -10.597 -7.367 1.00 42.40 C ATOM 1422 CZ PHE A 95 16.235 -11.977 -7.413 1.00 23.11 C ATOM 0 H PHE A 95 21.462 -11.659 -8.313 1.00 1.21 H new ATOM 0 HA PHE A 95 20.170 -9.045 -8.841 1.00 71.43 H new ATOM 0 HB2 PHE A 95 20.543 -10.419 -6.153 1.00 71.11 H new ATOM 0 HB3 PHE A 95 19.722 -8.899 -6.447 1.00 71.11 H new ATOM 0 HD1 PHE A 95 19.530 -12.556 -7.012 1.00 51.32 H new ATOM 0 HD2 PHE A 95 17.445 -8.844 -7.157 1.00 41.22 H new ATOM 0 HE1 PHE A 95 17.412 -13.759 -7.323 1.00 43.10 H new ATOM 0 HE2 PHE A 95 15.324 -10.045 -7.467 1.00 42.40 H new ATOM 0 HZ PHE A 95 15.303 -12.506 -7.548 1.00 23.11 H new ATOM 1432 N THR A 96 22.232 -7.804 -8.292 1.00 53.44 N ATOM 1433 CA THR A 96 23.473 -7.073 -8.069 1.00 53.12 C ATOM 1434 C THR A 96 23.328 -6.083 -6.919 1.00 30.54 C ATOM 1435 O THR A 96 22.415 -5.256 -6.910 1.00 64.13 O ATOM 1436 CB THR A 96 23.912 -6.313 -9.334 1.00 32.55 C ATOM 1437 OG1 THR A 96 23.955 -7.207 -10.452 1.00 35.50 O ATOM 1438 CG2 THR A 96 25.279 -5.675 -9.135 1.00 22.52 C ATOM 0 H THR A 96 21.516 -7.277 -8.792 1.00 53.44 H new ATOM 0 HA THR A 96 24.234 -7.811 -7.816 1.00 53.12 H new ATOM 0 HB THR A 96 23.185 -5.524 -9.528 1.00 32.55 H new ATOM 0 HG1 THR A 96 24.233 -6.716 -11.253 1.00 35.50 H new ATOM 0 HG21 THR A 96 25.568 -5.144 -10.042 1.00 22.52 H new ATOM 0 HG22 THR A 96 25.235 -4.974 -8.302 1.00 22.52 H new ATOM 0 HG23 THR A 96 26.014 -6.450 -8.919 1.00 22.52 H new ATOM 1446 N ALA A 97 24.234 -6.171 -5.951 1.00 62.01 N ATOM 1447 CA ALA A 97 24.207 -5.279 -4.798 1.00 43.35 C ATOM 1448 C ALA A 97 25.501 -4.478 -4.694 1.00 12.42 C ATOM 1449 O ALA A 97 26.591 -5.014 -4.889 1.00 52.21 O ATOM 1450 CB ALA A 97 23.973 -6.075 -3.522 1.00 10.43 C ATOM 0 H ALA A 97 24.995 -6.850 -5.942 1.00 62.01 H new ATOM 0 HA ALA A 97 23.385 -4.576 -4.931 1.00 43.35 H new ATOM 0 HB1 ALA A 97 23.955 -5.397 -2.669 1.00 10.43 H new ATOM 0 HB2 ALA A 97 23.019 -6.599 -3.590 1.00 10.43 H new ATOM 0 HB3 ALA A 97 24.777 -6.800 -3.393 1.00 10.43 H new ATOM 1456 N ASN A 98 25.372 -3.192 -4.384 1.00 22.42 N ATOM 1457 CA ASN A 98 26.531 -2.317 -4.256 1.00 70.24 C ATOM 1458 C ASN A 98 26.441 -1.478 -2.985 1.00 0.21 C ATOM 1459 O ASN A 98 26.432 -0.247 -3.040 1.00 44.32 O ATOM 1460 CB ASN A 98 26.644 -1.401 -5.477 1.00 53.32 C ATOM 1461 CG ASN A 98 28.063 -0.923 -5.713 1.00 65.42 C ATOM 1462 OD1 ASN A 98 28.781 -0.588 -4.772 1.00 61.01 O ATOM 1463 ND2 ASN A 98 28.474 -0.891 -6.976 1.00 50.32 N ATOM 0 H ASN A 98 24.477 -2.733 -4.217 1.00 22.42 H new ATOM 0 HA ASN A 98 27.421 -2.943 -4.196 1.00 70.24 H new ATOM 0 HB2 ASN A 98 26.291 -1.933 -6.361 1.00 53.32 H new ATOM 0 HB3 ASN A 98 25.991 -0.539 -5.342 1.00 53.32 H new ATOM 0 HD21 ASN A 98 29.420 -0.579 -7.197 1.00 50.32 H new ATOM 0 HD22 ASN A 98 27.844 -1.178 -7.725 1.00 50.32 H new ATOM 1470 N ASP A 99 26.376 -2.152 -1.842 1.00 15.12 N ATOM 1471 CA ASP A 99 26.288 -1.469 -0.556 1.00 4.24 C ATOM 1472 C ASP A 99 26.355 -2.468 0.595 1.00 73.21 C ATOM 1473 O ASP A 99 26.275 -3.678 0.385 1.00 53.11 O ATOM 1474 CB ASP A 99 24.993 -0.660 -0.471 1.00 62.12 C ATOM 1475 CG ASP A 99 23.758 -1.538 -0.517 1.00 13.14 C ATOM 1476 OD1 ASP A 99 23.668 -2.390 -1.425 1.00 52.50 O1- ATOM 1477 OD2 ASP A 99 22.882 -1.374 0.358 1.00 55.13 O ATOM 0 H ASP A 99 26.383 -3.170 -1.779 1.00 15.12 H new ATOM 0 HA ASP A 99 27.137 -0.790 -0.474 1.00 4.24 H new ATOM 0 HB2 ASP A 99 24.990 -0.081 0.453 1.00 62.12 H new ATOM 0 HB3 ASP A 99 24.959 0.053 -1.294 1.00 62.12 H new ATOM 1482 N SER A 100 26.503 -1.953 1.812 1.00 64.11 N ATOM 1483 CA SER A 100 26.586 -2.799 2.996 1.00 51.44 C ATOM 1484 C SER A 100 25.670 -2.281 4.100 1.00 2.13 C ATOM 1485 O SER A 100 25.274 -1.115 4.097 1.00 24.13 O ATOM 1486 CB SER A 100 28.028 -2.863 3.502 1.00 72.33 C ATOM 1487 OG SER A 100 28.850 -3.596 2.610 1.00 61.25 O ATOM 0 H SER A 100 26.568 -0.953 2.003 1.00 64.11 H new ATOM 0 HA SER A 100 26.260 -3.802 2.719 1.00 51.44 H new ATOM 0 HB2 SER A 100 28.421 -1.853 3.617 1.00 72.33 H new ATOM 0 HB3 SER A 100 28.050 -3.328 4.488 1.00 72.33 H new ATOM 0 HG SER A 100 29.138 -3.013 1.877 1.00 61.25 H new ATOM 1493 N GLY A 101 25.335 -3.156 5.043 1.00 42.21 N ATOM 1494 CA GLY A 101 24.468 -2.769 6.141 1.00 53.22 C ATOM 1495 C GLY A 101 23.113 -3.444 6.073 1.00 10.13 C ATOM 1496 O GLY A 101 22.767 -4.094 5.087 1.00 41.01 O ATOM 0 H GLY A 101 25.649 -4.126 5.066 1.00 42.21 H new ATOM 0 HA2 GLY A 101 24.949 -3.021 7.086 1.00 53.22 H new ATOM 0 HA3 GLY A 101 24.333 -1.687 6.130 1.00 53.22 H new ATOM 1500 N PRO A 102 22.319 -3.294 7.144 1.00 72.31 N ATOM 1501 CA PRO A 102 20.982 -3.888 7.228 1.00 62.41 C ATOM 1502 C PRO A 102 19.991 -3.222 6.279 1.00 55.41 C ATOM 1503 O PRO A 102 20.021 -2.006 6.088 1.00 30.03 O ATOM 1504 CB PRO A 102 20.574 -3.643 8.683 1.00 3.05 C ATOM 1505 CG PRO A 102 21.363 -2.449 9.101 1.00 21.03 C ATOM 1506 CD PRO A 102 22.666 -2.533 8.356 1.00 22.35 C ATOM 0 HA PRO A 102 20.986 -4.940 6.944 1.00 62.41 H new ATOM 0 HB2 PRO A 102 19.503 -3.460 8.768 1.00 3.05 H new ATOM 0 HB3 PRO A 102 20.801 -4.506 9.309 1.00 3.05 H new ATOM 0 HG2 PRO A 102 20.834 -1.527 8.859 1.00 21.03 H new ATOM 0 HG3 PRO A 102 21.529 -2.448 10.178 1.00 21.03 H new ATOM 0 HD2 PRO A 102 23.054 -1.544 8.112 1.00 22.35 H new ATOM 0 HD3 PRO A 102 23.432 -3.040 8.943 1.00 22.35 H new ATOM 1514 N ARG A 103 19.114 -4.026 5.686 1.00 52.42 N ATOM 1515 CA ARG A 103 18.116 -3.513 4.756 1.00 64.24 C ATOM 1516 C ARG A 103 16.817 -4.306 4.862 1.00 1.20 C ATOM 1517 O ARG A 103 16.822 -5.536 4.821 1.00 43.01 O ATOM 1518 CB ARG A 103 18.645 -3.573 3.322 1.00 21.14 C ATOM 1519 CG ARG A 103 19.748 -2.567 3.038 1.00 71.15 C ATOM 1520 CD ARG A 103 19.252 -1.137 3.187 1.00 40.02 C ATOM 1521 NE ARG A 103 20.201 -0.168 2.646 1.00 23.44 N ATOM 1522 CZ ARG A 103 20.197 1.121 2.966 1.00 72.30 C ATOM 1523 NH1 ARG A 103 19.299 1.593 3.820 1.00 12.31 N1+ ATOM 1524 NH2 ARG A 103 21.094 1.941 2.432 1.00 23.55 N ATOM 0 H ARG A 103 19.075 -5.035 5.833 1.00 52.42 H new ATOM 0 HA ARG A 103 17.912 -2.475 5.018 1.00 64.24 H new ATOM 0 HB2 ARG A 103 19.020 -4.577 3.124 1.00 21.14 H new ATOM 0 HB3 ARG A 103 17.820 -3.399 2.632 1.00 21.14 H new ATOM 0 HG2 ARG A 103 20.581 -2.737 3.720 1.00 71.15 H new ATOM 0 HG3 ARG A 103 20.128 -2.718 2.027 1.00 71.15 H new ATOM 0 HD2 ARG A 103 18.295 -1.031 2.676 1.00 40.02 H new ATOM 0 HD3 ARG A 103 19.077 -0.922 4.241 1.00 40.02 H new ATOM 0 HE ARG A 103 20.905 -0.499 1.987 1.00 23.44 H new ATOM 0 HH11 ARG A 103 18.609 0.966 4.233 1.00 12.31 H new ATOM 0 HH12 ARG A 103 19.298 2.583 4.064 1.00 12.31 H new ATOM 0 HH21 ARG A 103 21.787 1.581 1.776 1.00 23.55 H new ATOM 0 HH22 ARG A 103 21.090 2.931 2.678 1.00 23.55 H new ATOM 1538 N ARG A 104 15.704 -3.592 5.002 1.00 42.23 N ATOM 1539 CA ARG A 104 14.397 -4.229 5.117 1.00 3.34 C ATOM 1540 C ARG A 104 13.643 -4.165 3.792 1.00 11.24 C ATOM 1541 O ARG A 104 12.923 -3.204 3.521 1.00 3.33 O ATOM 1542 CB ARG A 104 13.574 -3.557 6.217 1.00 1.21 C ATOM 1543 CG ARG A 104 12.128 -4.024 6.267 1.00 52.32 C ATOM 1544 CD ARG A 104 12.034 -5.533 6.426 1.00 23.35 C ATOM 1545 NE ARG A 104 10.656 -5.980 6.611 1.00 23.43 N ATOM 1546 CZ ARG A 104 10.251 -7.224 6.384 1.00 61.22 C ATOM 1547 NH1 ARG A 104 11.113 -8.141 5.966 1.00 21.23 N1+ ATOM 1548 NH2 ARG A 104 8.980 -7.554 6.575 1.00 61.40 N ATOM 0 H ARG A 104 15.681 -2.573 5.038 1.00 42.23 H new ATOM 0 HA ARG A 104 14.552 -5.276 5.377 1.00 3.34 H new ATOM 0 HB2 ARG A 104 14.044 -3.752 7.181 1.00 1.21 H new ATOM 0 HB3 ARG A 104 13.593 -2.478 6.066 1.00 1.21 H new ATOM 0 HG2 ARG A 104 11.616 -3.537 7.097 1.00 52.32 H new ATOM 0 HG3 ARG A 104 11.615 -3.721 5.354 1.00 52.32 H new ATOM 0 HD2 ARG A 104 12.457 -6.017 5.546 1.00 23.35 H new ATOM 0 HD3 ARG A 104 12.634 -5.845 7.281 1.00 23.35 H new ATOM 0 HE ARG A 104 9.967 -5.300 6.932 1.00 23.43 H new ATOM 0 HH11 ARG A 104 12.091 -7.892 5.818 1.00 21.23 H new ATOM 0 HH12 ARG A 104 10.798 -9.096 5.793 1.00 21.23 H new ATOM 0 HH21 ARG A 104 8.314 -6.852 6.896 1.00 61.40 H new ATOM 0 HH22 ARG A 104 8.669 -8.510 6.400 1.00 61.40 H new ATOM 1562 N TYR A 105 13.813 -5.196 2.970 1.00 64.52 N ATOM 1563 CA TYR A 105 13.152 -5.255 1.672 1.00 43.23 C ATOM 1564 C TYR A 105 12.804 -6.694 1.304 1.00 12.34 C ATOM 1565 O TYR A 105 13.662 -7.578 1.323 1.00 73.32 O ATOM 1566 CB TYR A 105 14.045 -4.642 0.592 1.00 4.01 C ATOM 1567 CG TYR A 105 15.337 -5.396 0.375 1.00 12.10 C ATOM 1568 CD1 TYR A 105 16.366 -5.333 1.306 1.00 71.31 C ATOM 1569 CD2 TYR A 105 15.529 -6.171 -0.762 1.00 32.04 C ATOM 1570 CE1 TYR A 105 17.549 -6.021 1.111 1.00 24.24 C ATOM 1571 CE2 TYR A 105 16.708 -6.864 -0.964 1.00 72.42 C ATOM 1572 CZ TYR A 105 17.715 -6.784 -0.025 1.00 22.41 C ATOM 1573 OH TYR A 105 18.891 -7.471 -0.224 1.00 41.31 O ATOM 0 H TYR A 105 14.403 -6.001 3.180 1.00 64.52 H new ATOM 0 HA TYR A 105 12.227 -4.681 1.737 1.00 43.23 H new ATOM 0 HB2 TYR A 105 13.493 -4.606 -0.347 1.00 4.01 H new ATOM 0 HB3 TYR A 105 14.276 -3.612 0.865 1.00 4.01 H new ATOM 0 HD1 TYR A 105 16.240 -4.736 2.197 1.00 71.31 H new ATOM 0 HD2 TYR A 105 14.744 -6.233 -1.501 1.00 32.04 H new ATOM 0 HE1 TYR A 105 18.339 -5.961 1.845 1.00 24.24 H new ATOM 0 HE2 TYR A 105 16.840 -7.465 -1.852 1.00 72.42 H new ATOM 0 HH TYR A 105 19.276 -7.718 0.643 1.00 41.31 H new ATOM 1583 N THR A 106 11.538 -6.924 0.968 1.00 61.33 N ATOM 1584 CA THR A 106 11.075 -8.254 0.596 1.00 12.11 C ATOM 1585 C THR A 106 10.867 -8.362 -0.911 1.00 32.31 C ATOM 1586 O THR A 106 10.373 -7.431 -1.546 1.00 11.53 O ATOM 1587 CB THR A 106 9.758 -8.612 1.312 1.00 42.34 C ATOM 1588 OG1 THR A 106 9.952 -8.597 2.730 1.00 34.34 O ATOM 1589 CG2 THR A 106 9.260 -9.981 0.876 1.00 20.22 C ATOM 0 H THR A 106 10.815 -6.205 0.946 1.00 61.33 H new ATOM 0 HA THR A 106 11.850 -8.956 0.905 1.00 12.11 H new ATOM 0 HB THR A 106 9.009 -7.868 1.041 1.00 42.34 H new ATOM 0 HG1 THR A 106 9.110 -8.824 3.178 1.00 34.34 H new ATOM 0 HG21 THR A 106 8.329 -10.212 1.395 1.00 20.22 H new ATOM 0 HG22 THR A 106 9.085 -9.979 -0.200 1.00 20.22 H new ATOM 0 HG23 THR A 106 10.008 -10.735 1.120 1.00 20.22 H new ATOM 1597 N ILE A 107 11.245 -9.504 -1.474 1.00 71.42 N ATOM 1598 CA ILE A 107 11.098 -9.734 -2.907 1.00 74.04 C ATOM 1599 C ILE A 107 9.879 -10.603 -3.201 1.00 33.14 C ATOM 1600 O ILE A 107 9.825 -11.767 -2.807 1.00 43.14 O ATOM 1601 CB ILE A 107 12.350 -10.406 -3.500 1.00 63.22 C ATOM 1602 CG1 ILE A 107 13.604 -9.610 -3.134 1.00 62.44 C ATOM 1603 CG2 ILE A 107 12.217 -10.529 -5.012 1.00 32.41 C ATOM 1604 CD1 ILE A 107 13.562 -8.169 -3.593 1.00 2.32 C ATOM 0 H ILE A 107 11.655 -10.284 -0.961 1.00 71.42 H new ATOM 0 HA ILE A 107 10.966 -8.757 -3.373 1.00 74.04 H new ATOM 0 HB ILE A 107 12.442 -11.407 -3.079 1.00 63.22 H new ATOM 0 HG12 ILE A 107 13.737 -9.634 -2.052 1.00 62.44 H new ATOM 0 HG13 ILE A 107 14.475 -10.097 -3.573 1.00 62.44 H new ATOM 0 HG21 ILE A 107 13.109 -11.006 -5.418 1.00 32.41 H new ATOM 0 HG22 ILE A 107 11.342 -11.132 -5.252 1.00 32.41 H new ATOM 0 HG23 ILE A 107 12.105 -9.537 -5.449 1.00 32.41 H new ATOM 0 HD11 ILE A 107 14.483 -7.666 -3.299 1.00 2.32 H new ATOM 0 HD12 ILE A 107 13.461 -8.135 -4.678 1.00 2.32 H new ATOM 0 HD13 ILE A 107 12.712 -7.665 -3.133 1.00 2.32 H new ATOM 1616 N ALA A 108 8.905 -10.029 -3.898 1.00 44.40 N ATOM 1617 CA ALA A 108 7.690 -10.752 -4.250 1.00 61.41 C ATOM 1618 C ALA A 108 7.797 -11.362 -5.643 1.00 62.14 C ATOM 1619 O ALA A 108 7.840 -10.647 -6.644 1.00 70.45 O ATOM 1620 CB ALA A 108 6.483 -9.828 -4.170 1.00 74.04 C ATOM 0 H ALA A 108 8.934 -9.065 -4.230 1.00 44.40 H new ATOM 0 HA ALA A 108 7.562 -11.564 -3.534 1.00 61.41 H new ATOM 0 HB1 ALA A 108 5.583 -10.382 -4.436 1.00 74.04 H new ATOM 0 HB2 ALA A 108 6.386 -9.443 -3.155 1.00 74.04 H new ATOM 0 HB3 ALA A 108 6.615 -8.996 -4.862 1.00 74.04 H new ATOM 1626 N ALA A 109 7.841 -12.690 -5.700 1.00 63.14 N ATOM 1627 CA ALA A 109 7.943 -13.396 -6.972 1.00 74.21 C ATOM 1628 C ALA A 109 6.739 -14.307 -7.191 1.00 35.54 C ATOM 1629 O ALA A 109 6.335 -15.044 -6.294 1.00 62.10 O ATOM 1630 CB ALA A 109 9.233 -14.202 -7.026 1.00 25.13 C ATOM 0 H ALA A 109 7.808 -13.297 -4.881 1.00 63.14 H new ATOM 0 HA ALA A 109 7.956 -12.655 -7.771 1.00 74.21 H new ATOM 0 HB1 ALA A 109 9.296 -14.724 -7.981 1.00 25.13 H new ATOM 0 HB2 ALA A 109 10.086 -13.531 -6.922 1.00 25.13 H new ATOM 0 HB3 ALA A 109 9.242 -14.929 -6.214 1.00 25.13 H new ATOM 1636 N MET A 110 6.170 -14.247 -8.391 1.00 70.32 N ATOM 1637 CA MET A 110 5.012 -15.067 -8.728 1.00 45.12 C ATOM 1638 C MET A 110 5.396 -16.174 -9.705 1.00 15.33 C ATOM 1639 O MET A 110 6.261 -15.988 -10.562 1.00 41.41 O ATOM 1640 CB MET A 110 3.905 -14.200 -9.331 1.00 74.03 C ATOM 1641 CG MET A 110 3.109 -13.424 -8.294 1.00 13.10 C ATOM 1642 SD MET A 110 1.376 -13.233 -8.750 1.00 31.04 S ATOM 1643 CE MET A 110 0.571 -14.068 -7.385 1.00 0.14 C ATOM 0 H MET A 110 6.492 -13.640 -9.145 1.00 70.32 H new ATOM 0 HA MET A 110 4.644 -15.527 -7.811 1.00 45.12 H new ATOM 0 HB2 MET A 110 4.348 -13.498 -10.037 1.00 74.03 H new ATOM 0 HB3 MET A 110 3.225 -14.836 -9.898 1.00 74.03 H new ATOM 0 HG2 MET A 110 3.174 -13.936 -7.334 1.00 13.10 H new ATOM 0 HG3 MET A 110 3.556 -12.439 -8.161 1.00 13.10 H new ATOM 0 HE1 MET A 110 -0.463 -14.286 -7.651 1.00 0.14 H new ATOM 0 HE2 MET A 110 1.094 -14.999 -7.169 1.00 0.14 H new ATOM 0 HE3 MET A 110 0.591 -13.427 -6.503 1.00 0.14 H new ATOM 1653 N LEU A 111 4.748 -17.326 -9.571 1.00 31.10 N ATOM 1654 CA LEU A 111 5.021 -18.464 -10.443 1.00 3.04 C ATOM 1655 C LEU A 111 3.879 -18.679 -11.431 1.00 63.32 C ATOM 1656 O LEU A 111 2.731 -18.874 -11.034 1.00 10.01 O ATOM 1657 CB LEU A 111 5.237 -19.729 -9.610 1.00 34.42 C ATOM 1658 CG LEU A 111 6.690 -20.084 -9.293 1.00 22.01 C ATOM 1659 CD1 LEU A 111 7.463 -18.844 -8.872 1.00 40.44 C ATOM 1660 CD2 LEU A 111 6.753 -21.149 -8.207 1.00 11.55 C ATOM 0 H LEU A 111 4.030 -17.497 -8.867 1.00 31.10 H new ATOM 0 HA LEU A 111 5.928 -18.249 -11.007 1.00 3.04 H new ATOM 0 HB2 LEU A 111 4.698 -19.617 -8.669 1.00 34.42 H new ATOM 0 HB3 LEU A 111 4.786 -20.569 -10.138 1.00 34.42 H new ATOM 0 HG LEU A 111 7.152 -20.485 -10.195 1.00 22.01 H new ATOM 0 HD11 LEU A 111 8.495 -19.116 -8.650 1.00 40.44 H new ATOM 0 HD12 LEU A 111 7.446 -18.113 -9.680 1.00 40.44 H new ATOM 0 HD13 LEU A 111 7.003 -18.413 -7.983 1.00 40.44 H new ATOM 0 HD21 LEU A 111 7.794 -21.390 -7.994 1.00 11.55 H new ATOM 0 HD22 LEU A 111 6.274 -20.775 -7.302 1.00 11.55 H new ATOM 0 HD23 LEU A 111 6.235 -22.046 -8.547 1.00 11.55 H new ATOM 1672 N SER A 112 4.205 -18.646 -12.720 1.00 73.51 N ATOM 1673 CA SER A 112 3.206 -18.837 -13.765 1.00 51.32 C ATOM 1674 C SER A 112 3.830 -19.473 -15.003 1.00 24.21 C ATOM 1675 O SER A 112 4.378 -18.795 -15.872 1.00 14.52 O ATOM 1676 CB SER A 112 2.562 -17.498 -14.135 1.00 2.41 C ATOM 1677 OG SER A 112 1.239 -17.682 -14.607 1.00 5.42 O ATOM 0 H SER A 112 5.152 -18.489 -13.065 1.00 73.51 H new ATOM 0 HA SER A 112 2.438 -19.508 -13.381 1.00 51.32 H new ATOM 0 HB2 SER A 112 2.553 -16.842 -13.264 1.00 2.41 H new ATOM 0 HB3 SER A 112 3.159 -17.003 -14.901 1.00 2.41 H new ATOM 0 HG SER A 112 0.849 -16.812 -14.835 1.00 5.42 H new ATOM 1683 N PRO A 113 3.747 -20.809 -15.086 1.00 54.43 N ATOM 1684 CA PRO A 113 4.297 -21.568 -16.212 1.00 23.13 C ATOM 1685 C PRO A 113 3.514 -21.341 -17.502 1.00 42.52 C ATOM 1686 O PRO A 113 4.059 -21.462 -18.600 1.00 32.13 O ATOM 1687 CB PRO A 113 4.167 -23.023 -15.757 1.00 11.42 C ATOM 1688 CG PRO A 113 3.045 -23.015 -14.778 1.00 14.31 C ATOM 1689 CD PRO A 113 3.109 -21.682 -14.086 1.00 11.21 C ATOM 0 HA PRO A 113 5.319 -21.270 -16.444 1.00 23.13 H new ATOM 0 HB2 PRO A 113 3.954 -23.683 -16.598 1.00 11.42 H new ATOM 0 HB3 PRO A 113 5.090 -23.378 -15.299 1.00 11.42 H new ATOM 0 HG2 PRO A 113 2.087 -23.148 -15.281 1.00 14.31 H new ATOM 0 HG3 PRO A 113 3.145 -23.831 -14.063 1.00 14.31 H new ATOM 0 HD2 PRO A 113 2.117 -21.323 -13.813 1.00 11.21 H new ATOM 0 HD3 PRO A 113 3.693 -21.734 -13.167 1.00 11.21 H new ATOM 1697 N TYR A 114 2.235 -21.013 -17.362 1.00 23.21 N ATOM 1698 CA TYR A 114 1.377 -20.771 -18.515 1.00 4.41 C ATOM 1699 C TYR A 114 1.579 -19.360 -19.058 1.00 5.12 C ATOM 1700 O TYR A 114 2.103 -19.174 -20.157 1.00 62.34 O ATOM 1701 CB TYR A 114 -0.091 -20.979 -18.138 1.00 10.22 C ATOM 1702 CG TYR A 114 -0.333 -22.223 -17.314 1.00 42.23 C ATOM 1703 CD1 TYR A 114 -0.591 -23.445 -17.923 1.00 54.30 C ATOM 1704 CD2 TYR A 114 -0.305 -22.176 -15.925 1.00 64.23 C ATOM 1705 CE1 TYR A 114 -0.814 -24.584 -17.173 1.00 2.11 C ATOM 1706 CE2 TYR A 114 -0.526 -23.310 -15.167 1.00 70.43 C ATOM 1707 CZ TYR A 114 -0.780 -24.511 -15.795 1.00 23.21 C ATOM 1708 OH TYR A 114 -1.000 -25.643 -15.046 1.00 44.10 O ATOM 0 H TYR A 114 1.769 -20.909 -16.461 1.00 23.21 H new ATOM 0 HA TYR A 114 1.650 -21.483 -19.294 1.00 4.41 H new ATOM 0 HB2 TYR A 114 -0.441 -20.110 -17.581 1.00 10.22 H new ATOM 0 HB3 TYR A 114 -0.687 -21.035 -19.049 1.00 10.22 H new ATOM 0 HD1 TYR A 114 -0.618 -23.506 -19.001 1.00 54.30 H new ATOM 0 HD2 TYR A 114 -0.107 -21.237 -15.430 1.00 64.23 H new ATOM 0 HE1 TYR A 114 -1.014 -25.526 -17.662 1.00 2.11 H new ATOM 0 HE2 TYR A 114 -0.500 -23.256 -14.089 1.00 70.43 H new ATOM 0 HH TYR A 114 -0.697 -26.430 -15.545 1.00 44.10 H new ATOM 1718 N SER A 115 1.160 -18.368 -18.279 1.00 54.30 N ATOM 1719 CA SER A 115 1.292 -16.972 -18.682 1.00 50.32 C ATOM 1720 C SER A 115 2.636 -16.403 -18.240 1.00 24.11 C ATOM 1721 O SER A 115 3.435 -17.092 -17.605 1.00 43.12 O ATOM 1722 CB SER A 115 0.153 -16.138 -18.089 1.00 73.32 C ATOM 1723 OG SER A 115 -1.050 -16.885 -18.033 1.00 23.24 O ATOM 0 H SER A 115 0.727 -18.504 -17.366 1.00 54.30 H new ATOM 0 HA SER A 115 1.238 -16.927 -19.770 1.00 50.32 H new ATOM 0 HB2 SER A 115 0.425 -15.805 -17.087 1.00 73.32 H new ATOM 0 HB3 SER A 115 0.001 -15.243 -18.692 1.00 73.32 H new ATOM 0 HG SER A 115 -1.761 -16.331 -17.649 1.00 23.24 H new ATOM 1729 N TYR A 116 2.880 -15.143 -18.581 1.00 51.11 N ATOM 1730 CA TYR A 116 4.128 -14.481 -18.223 1.00 44.22 C ATOM 1731 C TYR A 116 4.358 -14.531 -16.716 1.00 31.31 C ATOM 1732 O TYR A 116 3.418 -14.699 -15.938 1.00 23.43 O ATOM 1733 CB TYR A 116 4.115 -13.028 -18.700 1.00 65.40 C ATOM 1734 CG TYR A 116 2.976 -12.214 -18.129 1.00 71.35 C ATOM 1735 CD1 TYR A 116 3.113 -11.546 -16.917 1.00 61.42 C ATOM 1736 CD2 TYR A 116 1.764 -12.111 -18.800 1.00 11.14 C ATOM 1737 CE1 TYR A 116 2.075 -10.802 -16.390 1.00 43.15 C ATOM 1738 CE2 TYR A 116 0.721 -11.367 -18.281 1.00 2.33 C ATOM 1739 CZ TYR A 116 0.881 -10.714 -17.077 1.00 73.22 C ATOM 1740 OH TYR A 116 -0.155 -9.974 -16.556 1.00 0.32 O ATOM 0 H TYR A 116 2.229 -14.559 -19.106 1.00 51.11 H new ATOM 0 HA TYR A 116 4.944 -15.010 -18.715 1.00 44.22 H new ATOM 0 HB2 TYR A 116 5.059 -12.557 -18.428 1.00 65.40 H new ATOM 0 HB3 TYR A 116 4.052 -13.012 -19.788 1.00 65.40 H new ATOM 0 HD1 TYR A 116 4.047 -11.610 -16.378 1.00 61.42 H new ATOM 0 HD2 TYR A 116 1.634 -12.621 -19.743 1.00 11.14 H new ATOM 0 HE1 TYR A 116 2.197 -10.292 -15.446 1.00 43.15 H new ATOM 0 HE2 TYR A 116 -0.215 -11.297 -18.816 1.00 2.33 H new ATOM 0 HH TYR A 116 -0.923 -10.014 -17.163 1.00 0.32 H new ATOM 1750 N SER A 117 5.616 -14.384 -16.310 1.00 62.40 N ATOM 1751 CA SER A 117 5.971 -14.415 -14.896 1.00 41.11 C ATOM 1752 C SER A 117 6.042 -13.003 -14.322 1.00 1.43 C ATOM 1753 O SER A 117 5.981 -12.017 -15.058 1.00 74.14 O ATOM 1754 CB SER A 117 7.313 -15.125 -14.702 1.00 43.31 C ATOM 1755 OG SER A 117 7.411 -15.683 -13.403 1.00 60.44 O ATOM 0 H SER A 117 6.405 -14.242 -16.940 1.00 62.40 H new ATOM 0 HA SER A 117 5.195 -14.966 -14.364 1.00 41.11 H new ATOM 0 HB2 SER A 117 7.423 -15.912 -15.448 1.00 43.31 H new ATOM 0 HB3 SER A 117 8.128 -14.419 -14.860 1.00 43.31 H new ATOM 0 HG SER A 117 8.276 -16.132 -13.304 1.00 60.44 H new ATOM 1761 N THR A 118 6.171 -12.913 -13.003 1.00 44.23 N ATOM 1762 CA THR A 118 6.248 -11.624 -12.328 1.00 62.12 C ATOM 1763 C THR A 118 7.251 -11.663 -11.180 1.00 51.22 C ATOM 1764 O THR A 118 7.314 -12.639 -10.433 1.00 52.03 O ATOM 1765 CB THR A 118 4.875 -11.192 -11.780 1.00 41.11 C ATOM 1766 OG1 THR A 118 3.829 -11.795 -12.551 1.00 53.34 O ATOM 1767 CG2 THR A 118 4.729 -9.678 -11.816 1.00 30.23 C ATOM 0 H THR A 118 6.224 -13.719 -12.380 1.00 44.23 H new ATOM 0 HA THR A 118 6.578 -10.899 -13.071 1.00 62.12 H new ATOM 0 HB THR A 118 4.801 -11.523 -10.744 1.00 41.11 H new ATOM 0 HG1 THR A 118 2.959 -11.517 -12.196 1.00 53.34 H new ATOM 0 HG21 THR A 118 3.751 -9.397 -11.424 1.00 30.23 H new ATOM 0 HG22 THR A 118 5.509 -9.223 -11.206 1.00 30.23 H new ATOM 0 HG23 THR A 118 4.822 -9.328 -12.844 1.00 30.23 H new ATOM 1775 N MET A 119 8.030 -10.596 -11.044 1.00 51.10 N ATOM 1776 CA MET A 119 9.029 -10.508 -9.986 1.00 43.42 C ATOM 1777 C MET A 119 9.248 -9.059 -9.563 1.00 2.14 C ATOM 1778 O MET A 119 9.587 -8.209 -10.383 1.00 61.44 O ATOM 1779 CB MET A 119 10.351 -11.121 -10.449 1.00 20.41 C ATOM 1780 CG MET A 119 11.270 -11.522 -9.307 1.00 61.24 C ATOM 1781 SD MET A 119 12.828 -12.224 -9.881 1.00 43.35 S ATOM 1782 CE MET A 119 13.130 -13.457 -8.617 1.00 1.53 C ATOM 0 H MET A 119 7.989 -9.779 -11.654 1.00 51.10 H new ATOM 0 HA MET A 119 8.660 -11.067 -9.126 1.00 43.42 H new ATOM 0 HB2 MET A 119 10.140 -11.999 -11.060 1.00 20.41 H new ATOM 0 HB3 MET A 119 10.870 -10.406 -11.087 1.00 20.41 H new ATOM 0 HG2 MET A 119 11.476 -10.649 -8.688 1.00 61.24 H new ATOM 0 HG3 MET A 119 10.760 -12.248 -8.674 1.00 61.24 H new ATOM 0 HE1 MET A 119 14.183 -13.738 -8.627 1.00 1.53 H new ATOM 0 HE2 MET A 119 12.873 -13.047 -7.640 1.00 1.53 H new ATOM 0 HE3 MET A 119 12.518 -14.337 -8.814 1.00 1.53 H new ATOM 1792 N ALA A 120 9.051 -8.786 -8.276 1.00 51.45 N ATOM 1793 CA ALA A 120 9.229 -7.442 -7.745 1.00 71.34 C ATOM 1794 C ALA A 120 10.517 -7.336 -6.936 1.00 72.32 C ATOM 1795 O ALA A 120 10.660 -7.974 -5.893 1.00 32.22 O ATOM 1796 CB ALA A 120 8.032 -7.050 -6.890 1.00 12.35 C ATOM 0 H ALA A 120 8.768 -9.479 -7.583 1.00 51.45 H new ATOM 0 HA ALA A 120 9.303 -6.753 -8.586 1.00 71.34 H new ATOM 0 HB1 ALA A 120 8.178 -6.043 -6.499 1.00 12.35 H new ATOM 0 HB2 ALA A 120 7.127 -7.076 -7.497 1.00 12.35 H new ATOM 0 HB3 ALA A 120 7.932 -7.750 -6.061 1.00 12.35 H new ATOM 1802 N VAL A 121 11.452 -6.527 -7.424 1.00 53.02 N ATOM 1803 CA VAL A 121 12.728 -6.339 -6.746 1.00 21.22 C ATOM 1804 C VAL A 121 12.865 -4.915 -6.216 1.00 45.24 C ATOM 1805 O VAL A 121 12.597 -3.948 -6.929 1.00 55.42 O ATOM 1806 CB VAL A 121 13.913 -6.642 -7.683 1.00 74.22 C ATOM 1807 CG1 VAL A 121 15.228 -6.570 -6.923 1.00 73.31 C ATOM 1808 CG2 VAL A 121 13.738 -8.004 -8.338 1.00 33.42 C ATOM 0 H VAL A 121 11.349 -5.992 -8.286 1.00 53.02 H new ATOM 0 HA VAL A 121 12.747 -7.039 -5.910 1.00 21.22 H new ATOM 0 HB VAL A 121 13.935 -5.887 -8.469 1.00 74.22 H new ATOM 0 HG11 VAL A 121 16.053 -6.787 -7.602 1.00 73.31 H new ATOM 0 HG12 VAL A 121 15.354 -5.570 -6.507 1.00 73.31 H new ATOM 0 HG13 VAL A 121 15.222 -7.301 -6.115 1.00 73.31 H new ATOM 0 HG21 VAL A 121 14.584 -8.202 -8.997 1.00 33.42 H new ATOM 0 HG22 VAL A 121 13.689 -8.774 -7.568 1.00 33.42 H new ATOM 0 HG23 VAL A 121 12.816 -8.013 -8.919 1.00 33.42 H new ATOM 1818 N VAL A 122 13.285 -4.794 -4.961 1.00 24.04 N ATOM 1819 CA VAL A 122 13.458 -3.489 -4.335 1.00 52.24 C ATOM 1820 C VAL A 122 14.935 -3.151 -4.171 1.00 2.02 C ATOM 1821 O VAL A 122 15.683 -3.882 -3.521 1.00 64.54 O ATOM 1822 CB VAL A 122 12.773 -3.431 -2.957 1.00 41.24 C ATOM 1823 CG1 VAL A 122 12.839 -2.022 -2.386 1.00 71.54 C ATOM 1824 CG2 VAL A 122 11.331 -3.906 -3.060 1.00 53.13 C ATOM 0 H VAL A 122 13.512 -5.584 -4.358 1.00 24.04 H new ATOM 0 HA VAL A 122 12.991 -2.757 -4.994 1.00 52.24 H new ATOM 0 HB VAL A 122 13.304 -4.097 -2.278 1.00 41.24 H new ATOM 0 HG11 VAL A 122 12.350 -2.001 -1.412 1.00 71.54 H new ATOM 0 HG12 VAL A 122 13.881 -1.723 -2.275 1.00 71.54 H new ATOM 0 HG13 VAL A 122 12.333 -1.332 -3.061 1.00 71.54 H new ATOM 0 HG21 VAL A 122 10.861 -3.859 -2.078 1.00 53.13 H new ATOM 0 HG22 VAL A 122 10.786 -3.266 -3.754 1.00 53.13 H new ATOM 0 HG23 VAL A 122 11.311 -4.934 -3.422 1.00 53.13 H new ATOM 1834 N THR A 123 15.351 -2.035 -4.763 1.00 65.41 N ATOM 1835 CA THR A 123 16.740 -1.600 -4.684 1.00 45.23 C ATOM 1836 C THR A 123 16.933 -0.585 -3.562 1.00 73.22 C ATOM 1837 O THR A 123 16.484 0.556 -3.660 1.00 50.41 O ATOM 1838 CB THR A 123 17.210 -0.976 -6.011 1.00 11.34 C ATOM 1839 OG1 THR A 123 16.393 0.153 -6.339 1.00 23.43 O ATOM 1840 CG2 THR A 123 17.151 -1.996 -7.138 1.00 1.51 C ATOM 0 H THR A 123 14.745 -1.416 -5.302 1.00 65.41 H new ATOM 0 HA THR A 123 17.339 -2.487 -4.477 1.00 45.23 H new ATOM 0 HB THR A 123 18.243 -0.652 -5.889 1.00 11.34 H new ATOM 0 HG1 THR A 123 16.155 0.634 -5.519 1.00 23.43 H new ATOM 0 HG21 THR A 123 17.487 -1.533 -8.066 1.00 1.51 H new ATOM 0 HG22 THR A 123 17.797 -2.840 -6.899 1.00 1.51 H new ATOM 0 HG23 THR A 123 16.126 -2.346 -7.258 1.00 1.51 H new ATOM 1848 N ASN A 124 17.606 -1.008 -2.498 1.00 2.14 N ATOM 1849 CA ASN A 124 17.860 -0.136 -1.357 1.00 14.35 C ATOM 1850 C ASN A 124 18.479 1.184 -1.808 1.00 21.24 C ATOM 1851 O ASN A 124 19.061 1.287 -2.888 1.00 34.35 O ATOM 1852 CB ASN A 124 18.785 -0.829 -0.353 1.00 43.11 C ATOM 1853 CG ASN A 124 19.878 -1.630 -1.033 1.00 33.41 C ATOM 1854 OD1 ASN A 124 19.878 -2.861 -0.993 1.00 65.11 O ATOM 1855 ND2 ASN A 124 20.819 -0.934 -1.662 1.00 53.22 N ATOM 0 H ASN A 124 17.986 -1.950 -2.402 1.00 2.14 H new ATOM 0 HA ASN A 124 16.906 0.076 -0.875 1.00 14.35 H new ATOM 0 HB2 ASN A 124 19.238 -0.080 0.297 1.00 43.11 H new ATOM 0 HB3 ASN A 124 18.196 -1.490 0.284 1.00 43.11 H new ATOM 0 HD21 ASN A 124 21.580 -1.419 -2.137 1.00 53.22 H new ATOM 0 HD22 ASN A 124 20.780 0.085 -1.670 1.00 53.22 H new ATOM 1862 N PRO A 125 18.352 2.217 -0.962 1.00 1.24 N ATOM 1863 CA PRO A 125 18.893 3.548 -1.252 1.00 4.12 C ATOM 1864 C PRO A 125 20.417 3.576 -1.212 1.00 22.32 C ATOM 1865 O PRO A 125 21.023 3.450 -0.147 1.00 40.34 O ATOM 1866 CB PRO A 125 18.312 4.418 -0.133 1.00 23.43 C ATOM 1867 CG PRO A 125 18.050 3.470 0.986 1.00 21.31 C ATOM 1868 CD PRO A 125 17.671 2.164 0.343 1.00 10.43 C ATOM 0 HA PRO A 125 18.629 3.886 -2.254 1.00 4.12 H new ATOM 0 HB2 PRO A 125 19.012 5.199 0.165 1.00 23.43 H new ATOM 0 HB3 PRO A 125 17.396 4.916 -0.453 1.00 23.43 H new ATOM 0 HG2 PRO A 125 18.933 3.354 1.614 1.00 21.31 H new ATOM 0 HG3 PRO A 125 17.249 3.836 1.628 1.00 21.31 H new ATOM 0 HD2 PRO A 125 18.004 1.312 0.936 1.00 10.43 H new ATOM 0 HD3 PRO A 125 16.591 2.070 0.229 1.00 10.43 H new ATOM 1876 N LYS A 126 21.031 3.743 -2.378 1.00 1.50 N ATOM 1877 CA LYS A 126 22.485 3.789 -2.477 1.00 65.42 C ATOM 1878 C LYS A 126 23.065 4.811 -1.504 1.00 33.33 C ATOM 1879 O LYS A 126 24.191 4.662 -1.031 1.00 12.21 O ATOM 1880 CB LYS A 126 22.909 4.133 -3.907 1.00 4.33 C ATOM 1881 CG LYS A 126 22.706 5.595 -4.266 1.00 21.32 C ATOM 1882 CD LYS A 126 21.232 5.928 -4.431 1.00 73.25 C ATOM 1883 CE LYS A 126 21.039 7.296 -5.070 1.00 21.43 C ATOM 1884 NZ LYS A 126 21.364 7.281 -6.523 1.00 72.12 N1+ ATOM 0 H LYS A 126 20.544 3.849 -3.268 1.00 1.50 H new ATOM 0 HA LYS A 126 22.873 2.804 -2.216 1.00 65.42 H new ATOM 0 HB2 LYS A 126 23.961 3.878 -4.036 1.00 4.33 H new ATOM 0 HB3 LYS A 126 22.343 3.514 -4.604 1.00 4.33 H new ATOM 0 HG2 LYS A 126 23.138 6.225 -3.488 1.00 21.32 H new ATOM 0 HG3 LYS A 126 23.237 5.821 -5.191 1.00 21.32 H new ATOM 0 HD2 LYS A 126 20.752 5.167 -5.046 1.00 73.25 H new ATOM 0 HD3 LYS A 126 20.742 5.907 -3.458 1.00 73.25 H new ATOM 0 HE2 LYS A 126 20.007 7.619 -4.932 1.00 21.43 H new ATOM 0 HE3 LYS A 126 21.671 8.026 -4.564 1.00 21.43 H new ATOM 0 HZ1 LYS A 126 21.046 8.170 -6.959 1.00 72.12 H new ATOM 0 HZ2 LYS A 126 22.392 7.182 -6.648 1.00 72.12 H new ATOM 0 HZ3 LYS A 126 20.881 6.480 -6.978 1.00 72.12 H new ATOM 1898 N GLU A 127 22.286 5.848 -1.208 1.00 63.52 N ATOM 1899 CA GLU A 127 22.724 6.894 -0.291 1.00 4.22 C ATOM 1900 C GLU A 127 22.760 6.377 1.144 1.00 54.22 C ATOM 1901 O GLU A 127 22.894 7.153 2.089 1.00 33.32 O ATOM 1902 CB GLU A 127 21.796 8.106 -0.385 1.00 12.12 C ATOM 1903 CG GLU A 127 20.335 7.776 -0.128 1.00 23.42 C ATOM 1904 CD GLU A 127 19.574 8.936 0.486 1.00 72.31 C ATOM 1905 OE1 GLU A 127 20.062 10.082 0.389 1.00 44.44 O1- ATOM 1906 OE2 GLU A 127 18.493 8.697 1.063 1.00 54.12 O ATOM 0 H GLU A 127 21.350 5.986 -1.589 1.00 63.52 H new ATOM 0 HA GLU A 127 23.732 7.195 -0.577 1.00 4.22 H new ATOM 0 HB2 GLU A 127 22.121 8.859 0.333 1.00 12.12 H new ATOM 0 HB3 GLU A 127 21.891 8.549 -1.376 1.00 12.12 H new ATOM 0 HG2 GLU A 127 19.860 7.491 -1.067 1.00 23.42 H new ATOM 0 HG3 GLU A 127 20.272 6.913 0.535 1.00 23.42 H new TER 1913 GLU A 127