USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 806 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 17 SER OG : rot 180:sc= 0.351 USER MOD Set 1.2: A 18 CYS SG : rot 19:sc= 1.29 USER MOD Set 1.3: A 28 SER OG : rot -111:sc= 1.05 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -128:sc= -0.346 (180deg=-1.79!) USER MOD Single : A 13 SER OG : rot 125:sc= 1.3 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -1.67! C(o=-1.7!,f=-1.8!) USER MOD Single : A 23 SER OG : rot -128:sc= 1.29 USER MOD Single : A 25 ASN : amide:sc= -1.41 K(o=-1.4,f=-7.3!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -28:sc= 0.952 USER MOD Single : A 32 THR OG1 : rot -15:sc= -1.19 USER MOD Single : A 36 SER OG : rot -1:sc= 0.683 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= 0.0834 (180deg=0.0349) USER MOD Single : A 39 THR OG1 : rot -121:sc= -1.34 USER MOD Single : A 42 GLN : amide:sc= -1.09 K(o=-1.1,f=-1.6) USER MOD Single : A 44 LYS NZ :NH3+ -150:sc= -0.0358 (180deg=-0.482) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.2 K(o=-1.2,f=-3.3!) USER MOD Single : A 54 LYS NZ :NH3+ -148:sc= 0.636 (180deg=-0.0145) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -1.13 K(o=-1.1,f=-3.3!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN :FLIP amide:sc= -1.47 F(o=-3.6,f=-1.5) USER MOD Single : A 71 SER OG : rot -55:sc= 1.2 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.359 USER MOD Single : A 79 SER OG : rot 57:sc= 0.71 USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.34 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -74:sc= 0.102 USER MOD Single : A 96 LYS NZ :NH3+ -111:sc= -0.458 (180deg=-3.26!) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot -25:sc= 0.142 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.587 -1.029 -1.947 1.00 35.31 N ATOM 2 CA ALA A 1 0.726 -0.524 -2.328 1.00 73.40 C ATOM 3 C ALA A 1 1.806 -1.576 -2.099 1.00 72.35 C ATOM 4 O ALA A 1 2.227 -1.811 -0.966 1.00 74.13 O ATOM 5 CB ALA A 1 1.049 0.744 -1.552 1.00 70.03 C ATOM 0 H1 ALA A 1 -1.303 -0.294 -2.113 1.00 35.31 H new ATOM 0 H2 ALA A 1 -0.815 -1.869 -2.517 1.00 35.31 H new ATOM 0 H3 ALA A 1 -0.581 -1.286 -0.939 1.00 35.31 H new ATOM 0 HA ALA A 1 0.703 -0.290 -3.392 1.00 73.40 H new ATOM 0 HB1 ALA A 1 2.032 1.110 -1.846 1.00 70.03 H new ATOM 0 HB2 ALA A 1 0.299 1.504 -1.769 1.00 70.03 H new ATOM 0 HB3 ALA A 1 1.048 0.527 -0.484 1.00 70.03 H new ATOM 11 N ILE A 2 2.250 -2.207 -3.182 1.00 14.43 N ATOM 12 CA ILE A 2 3.281 -3.233 -3.098 1.00 61.11 C ATOM 13 C ILE A 2 4.607 -2.727 -3.657 1.00 33.32 C ATOM 14 O ILE A 2 5.678 -3.184 -3.256 1.00 33.13 O ATOM 15 CB ILE A 2 2.870 -4.508 -3.858 1.00 55.12 C ATOM 16 CG1 ILE A 2 3.974 -5.562 -3.765 1.00 64.34 C ATOM 17 CG2 ILE A 2 2.562 -4.182 -5.312 1.00 11.30 C ATOM 18 CD1 ILE A 2 4.295 -5.979 -2.347 1.00 14.32 C ATOM 0 H ILE A 2 1.911 -2.025 -4.127 1.00 14.43 H new ATOM 0 HA ILE A 2 3.402 -3.473 -2.042 1.00 61.11 H new ATOM 0 HB ILE A 2 1.968 -4.912 -3.398 1.00 55.12 H new ATOM 0 HG12 ILE A 2 3.674 -6.442 -4.334 1.00 64.34 H new ATOM 0 HG13 ILE A 2 4.878 -5.172 -4.234 1.00 64.34 H new ATOM 0 HG21 ILE A 2 2.273 -5.093 -5.836 1.00 11.30 H new ATOM 0 HG22 ILE A 2 1.745 -3.462 -5.358 1.00 11.30 H new ATOM 0 HG23 ILE A 2 3.447 -3.757 -5.785 1.00 11.30 H new ATOM 0 HD11 ILE A 2 5.086 -6.728 -2.358 1.00 14.32 H new ATOM 0 HD12 ILE A 2 4.626 -5.110 -1.778 1.00 14.32 H new ATOM 0 HD13 ILE A 2 3.404 -6.399 -1.881 1.00 14.32 H new ATOM 30 N THR A 3 4.528 -1.779 -4.585 1.00 41.31 N ATOM 31 CA THR A 3 5.721 -1.209 -5.199 1.00 20.40 C ATOM 32 C THR A 3 6.680 -0.673 -4.143 1.00 1.43 C ATOM 33 O THR A 3 7.888 -0.599 -4.368 1.00 3.03 O ATOM 34 CB THR A 3 5.363 -0.073 -6.175 1.00 74.34 C ATOM 35 OG1 THR A 3 4.679 0.974 -5.479 1.00 12.24 O ATOM 36 CG2 THR A 3 4.489 -0.589 -7.309 1.00 63.41 C ATOM 0 H THR A 3 3.650 -1.389 -4.928 1.00 41.31 H new ATOM 0 HA THR A 3 6.206 -2.013 -5.752 1.00 20.40 H new ATOM 0 HB THR A 3 6.289 0.317 -6.598 1.00 74.34 H new ATOM 0 HG1 THR A 3 4.457 1.693 -6.107 1.00 12.24 H new ATOM 0 HG21 THR A 3 4.249 0.231 -7.986 1.00 63.41 H new ATOM 0 HG22 THR A 3 5.024 -1.366 -7.856 1.00 63.41 H new ATOM 0 HG23 THR A 3 3.568 -1.003 -6.899 1.00 63.41 H new ATOM 44 N ASP A 4 6.135 -0.300 -2.990 1.00 51.43 N ATOM 45 CA ASP A 4 6.943 0.229 -1.898 1.00 1.14 C ATOM 46 C ASP A 4 7.985 -0.791 -1.450 1.00 21.04 C ATOM 47 O ASP A 4 8.979 -0.439 -0.814 1.00 44.12 O ATOM 48 CB ASP A 4 6.052 0.618 -0.717 1.00 54.13 C ATOM 49 CG ASP A 4 5.425 1.987 -0.892 1.00 11.52 C ATOM 50 OD1 ASP A 4 5.751 2.666 -1.888 1.00 13.01 O ATOM 51 OD2 ASP A 4 4.609 2.381 -0.032 1.00 21.13 O ATOM 0 H ASP A 4 5.137 -0.354 -2.788 1.00 51.43 H new ATOM 0 HA ASP A 4 7.461 1.117 -2.260 1.00 1.14 H new ATOM 0 HB2 ASP A 4 5.265 -0.127 -0.599 1.00 54.13 H new ATOM 0 HB3 ASP A 4 6.642 0.606 0.199 1.00 54.13 H new ATOM 56 N ILE A 5 7.750 -2.055 -1.784 1.00 32.32 N ATOM 57 CA ILE A 5 8.668 -3.126 -1.416 1.00 0.22 C ATOM 58 C ILE A 5 9.217 -3.828 -2.653 1.00 24.43 C ATOM 59 O ILE A 5 10.423 -4.055 -2.768 1.00 13.23 O ATOM 60 CB ILE A 5 7.985 -4.166 -0.509 1.00 71.50 C ATOM 61 CG1 ILE A 5 6.870 -3.510 0.308 1.00 3.20 C ATOM 62 CG2 ILE A 5 9.006 -4.821 0.409 1.00 64.23 C ATOM 63 CD1 ILE A 5 6.188 -4.457 1.270 1.00 3.14 C ATOM 0 H ILE A 5 6.931 -2.363 -2.309 1.00 32.32 H new ATOM 0 HA ILE A 5 9.490 -2.664 -0.869 1.00 0.22 H new ATOM 0 HB ILE A 5 7.542 -4.938 -1.138 1.00 71.50 H new ATOM 0 HG12 ILE A 5 7.286 -2.673 0.869 1.00 3.20 H new ATOM 0 HG13 ILE A 5 6.125 -3.099 -0.373 1.00 3.20 H new ATOM 0 HG21 ILE A 5 8.507 -5.554 1.044 1.00 64.23 H new ATOM 0 HG22 ILE A 5 9.768 -5.319 -0.191 1.00 64.23 H new ATOM 0 HG23 ILE A 5 9.475 -4.060 1.033 1.00 64.23 H new ATOM 0 HD11 ILE A 5 5.409 -3.924 1.815 1.00 3.14 H new ATOM 0 HD12 ILE A 5 5.742 -5.282 0.714 1.00 3.14 H new ATOM 0 HD13 ILE A 5 6.921 -4.849 1.975 1.00 3.14 H new ATOM 75 N LEU A 6 8.326 -4.170 -3.577 1.00 4.30 N ATOM 76 CA LEU A 6 8.722 -4.845 -4.808 1.00 74.21 C ATOM 77 C LEU A 6 8.879 -3.847 -5.950 1.00 44.15 C ATOM 78 O LEU A 6 8.698 -2.643 -5.766 1.00 23.51 O ATOM 79 CB LEU A 6 7.688 -5.909 -5.184 1.00 1.51 C ATOM 80 CG LEU A 6 8.039 -7.348 -4.807 1.00 33.34 C ATOM 81 CD1 LEU A 6 8.485 -7.426 -3.355 1.00 20.01 C ATOM 82 CD2 LEU A 6 6.851 -8.268 -5.051 1.00 63.04 C ATOM 0 H LEU A 6 7.325 -3.991 -3.497 1.00 4.30 H new ATOM 0 HA LEU A 6 9.685 -5.326 -4.636 1.00 74.21 H new ATOM 0 HB2 LEU A 6 6.741 -5.651 -4.709 1.00 1.51 H new ATOM 0 HB3 LEU A 6 7.527 -5.866 -6.261 1.00 1.51 H new ATOM 0 HG LEU A 6 8.865 -7.677 -5.438 1.00 33.34 H new ATOM 0 HD11 LEU A 6 8.731 -8.458 -3.105 1.00 20.01 H new ATOM 0 HD12 LEU A 6 9.364 -6.798 -3.210 1.00 20.01 H new ATOM 0 HD13 LEU A 6 7.680 -7.078 -2.708 1.00 20.01 H new ATOM 0 HD21 LEU A 6 7.119 -9.288 -4.777 1.00 63.04 H new ATOM 0 HD22 LEU A 6 6.006 -7.940 -4.446 1.00 63.04 H new ATOM 0 HD23 LEU A 6 6.576 -8.236 -6.105 1.00 63.04 H new ATOM 94 N SER A 7 9.216 -4.355 -7.132 1.00 20.44 N ATOM 95 CA SER A 7 9.400 -3.508 -8.304 1.00 73.22 C ATOM 96 C SER A 7 8.395 -3.866 -9.395 1.00 52.52 C ATOM 97 O SER A 7 8.339 -5.006 -9.854 1.00 23.23 O ATOM 98 CB SER A 7 10.825 -3.648 -8.842 1.00 40.22 C ATOM 99 OG SER A 7 11.661 -2.618 -8.344 1.00 43.10 O ATOM 0 H SER A 7 9.367 -5.349 -7.303 1.00 20.44 H new ATOM 0 HA SER A 7 9.233 -2.473 -8.004 1.00 73.22 H new ATOM 0 HB2 SER A 7 11.231 -4.619 -8.558 1.00 40.22 H new ATOM 0 HB3 SER A 7 10.811 -3.615 -9.931 1.00 40.22 H new ATOM 0 HG SER A 7 12.567 -2.731 -8.701 1.00 43.10 H new ATOM 105 N ALA A 8 7.602 -2.881 -9.806 1.00 61.21 N ATOM 106 CA ALA A 8 6.600 -3.090 -10.844 1.00 44.22 C ATOM 107 C ALA A 8 7.237 -3.627 -12.122 1.00 2.35 C ATOM 108 O ALA A 8 6.596 -4.336 -12.897 1.00 54.42 O ATOM 109 CB ALA A 8 5.856 -1.793 -11.128 1.00 22.43 C ATOM 0 H ALA A 8 7.634 -1.931 -9.436 1.00 61.21 H new ATOM 0 HA ALA A 8 5.889 -3.833 -10.483 1.00 44.22 H new ATOM 0 HB1 ALA A 8 5.111 -1.964 -11.905 1.00 22.43 H new ATOM 0 HB2 ALA A 8 5.361 -1.451 -10.219 1.00 22.43 H new ATOM 0 HB3 ALA A 8 6.563 -1.034 -11.464 1.00 22.43 H new ATOM 115 N LYS A 9 8.503 -3.284 -12.335 1.00 50.13 N ATOM 116 CA LYS A 9 9.228 -3.731 -13.519 1.00 20.55 C ATOM 117 C LYS A 9 9.648 -5.191 -13.380 1.00 32.34 C ATOM 118 O LYS A 9 10.018 -5.836 -14.360 1.00 65.54 O ATOM 119 CB LYS A 9 10.461 -2.855 -13.748 1.00 42.22 C ATOM 120 CG LYS A 9 10.799 -2.653 -15.215 1.00 64.22 C ATOM 121 CD LYS A 9 9.904 -1.605 -15.855 1.00 4.02 C ATOM 122 CE LYS A 9 10.407 -0.197 -15.575 1.00 41.01 C ATOM 123 NZ LYS A 9 9.810 0.369 -14.334 1.00 32.11 N ATOM 0 H LYS A 9 9.048 -2.698 -11.703 1.00 50.13 H new ATOM 0 HA LYS A 9 8.562 -3.642 -14.377 1.00 20.55 H new ATOM 0 HB2 LYS A 9 10.297 -1.882 -13.284 1.00 42.22 H new ATOM 0 HB3 LYS A 9 11.316 -3.307 -13.246 1.00 42.22 H new ATOM 0 HG2 LYS A 9 11.842 -2.350 -15.311 1.00 64.22 H new ATOM 0 HG3 LYS A 9 10.692 -3.598 -15.747 1.00 64.22 H new ATOM 0 HD2 LYS A 9 9.861 -1.770 -16.932 1.00 4.02 H new ATOM 0 HD3 LYS A 9 8.888 -1.712 -15.475 1.00 4.02 H new ATOM 0 HE2 LYS A 9 11.493 -0.211 -15.482 1.00 41.01 H new ATOM 0 HE3 LYS A 9 10.168 0.449 -16.420 1.00 41.01 H new ATOM 0 HZ1 LYS A 9 9.399 1.302 -14.541 1.00 32.11 H new ATOM 0 HZ2 LYS A 9 9.065 -0.268 -13.985 1.00 32.11 H new ATOM 0 HZ3 LYS A 9 10.548 0.469 -13.608 1.00 32.11 H new ATOM 137 N ASP A 10 9.586 -5.706 -12.157 1.00 32.05 N ATOM 138 CA ASP A 10 9.957 -7.091 -11.890 1.00 41.10 C ATOM 139 C ASP A 10 8.718 -7.954 -11.677 1.00 33.41 C ATOM 140 O ASP A 10 8.701 -9.132 -12.036 1.00 31.23 O ATOM 141 CB ASP A 10 10.867 -7.170 -10.663 1.00 35.31 C ATOM 142 CG ASP A 10 12.070 -8.064 -10.891 1.00 13.02 C ATOM 143 OD1 ASP A 10 12.025 -8.892 -11.824 1.00 34.41 O ATOM 144 OD2 ASP A 10 13.056 -7.936 -10.136 1.00 3.54 O ATOM 0 H ASP A 10 9.282 -5.185 -11.334 1.00 32.05 H new ATOM 0 HA ASP A 10 10.497 -7.471 -12.758 1.00 41.10 H new ATOM 0 HB2 ASP A 10 11.207 -6.168 -10.401 1.00 35.31 H new ATOM 0 HB3 ASP A 10 10.295 -7.545 -9.814 1.00 35.31 H new ATOM 149 N ILE A 11 7.683 -7.361 -11.090 1.00 65.43 N ATOM 150 CA ILE A 11 6.440 -8.077 -10.830 1.00 5.44 C ATOM 151 C ILE A 11 5.795 -8.549 -12.128 1.00 43.00 C ATOM 152 O ILE A 11 5.451 -9.722 -12.270 1.00 52.41 O ATOM 153 CB ILE A 11 5.436 -7.198 -10.060 1.00 62.14 C ATOM 154 CG1 ILE A 11 6.029 -6.763 -8.718 1.00 72.45 C ATOM 155 CG2 ILE A 11 4.129 -7.948 -9.850 1.00 41.24 C ATOM 156 CD1 ILE A 11 5.459 -5.462 -8.199 1.00 53.04 C ATOM 0 H ILE A 11 7.681 -6.387 -10.786 1.00 65.43 H new ATOM 0 HA ILE A 11 6.696 -8.943 -10.220 1.00 5.44 H new ATOM 0 HB ILE A 11 5.230 -6.305 -10.650 1.00 62.14 H new ATOM 0 HG12 ILE A 11 5.853 -7.547 -7.981 1.00 72.45 H new ATOM 0 HG13 ILE A 11 7.109 -6.661 -8.823 1.00 72.45 H new ATOM 0 HG21 ILE A 11 3.430 -7.314 -9.305 1.00 41.24 H new ATOM 0 HG22 ILE A 11 3.701 -8.212 -10.817 1.00 41.24 H new ATOM 0 HG23 ILE A 11 4.318 -8.856 -9.277 1.00 41.24 H new ATOM 0 HD11 ILE A 11 5.925 -5.216 -7.245 1.00 53.04 H new ATOM 0 HD12 ILE A 11 5.658 -4.666 -8.916 1.00 53.04 H new ATOM 0 HD13 ILE A 11 4.383 -5.566 -8.061 1.00 53.04 H new ATOM 168 N GLU A 12 5.637 -7.628 -13.073 1.00 51.42 N ATOM 169 CA GLU A 12 5.034 -7.951 -14.361 1.00 31.01 C ATOM 170 C GLU A 12 5.953 -8.852 -15.181 1.00 34.42 C ATOM 171 O GLU A 12 5.501 -9.570 -16.073 1.00 51.34 O ATOM 172 CB GLU A 12 4.728 -6.671 -15.141 1.00 74.25 C ATOM 173 CG GLU A 12 3.818 -5.708 -14.398 1.00 51.30 C ATOM 174 CD GLU A 12 2.352 -6.071 -14.529 1.00 75.11 C ATOM 175 OE1 GLU A 12 1.905 -6.339 -15.664 1.00 41.51 O ATOM 176 OE2 GLU A 12 1.651 -6.088 -13.495 1.00 74.35 O ATOM 0 H GLU A 12 5.918 -6.653 -12.971 1.00 51.42 H new ATOM 0 HA GLU A 12 4.103 -8.485 -14.174 1.00 31.01 H new ATOM 0 HB2 GLU A 12 5.665 -6.165 -15.375 1.00 74.25 H new ATOM 0 HB3 GLU A 12 4.264 -6.937 -16.091 1.00 74.25 H new ATOM 0 HG2 GLU A 12 4.092 -5.696 -13.343 1.00 51.30 H new ATOM 0 HG3 GLU A 12 3.974 -4.699 -14.780 1.00 51.30 H new ATOM 183 N SER A 13 7.244 -8.809 -14.871 1.00 65.21 N ATOM 184 CA SER A 13 8.228 -9.618 -15.581 1.00 62.14 C ATOM 185 C SER A 13 8.322 -11.015 -14.976 1.00 32.30 C ATOM 186 O SER A 13 9.135 -11.835 -15.402 1.00 74.11 O ATOM 187 CB SER A 13 9.599 -8.941 -15.544 1.00 5.32 C ATOM 188 OG SER A 13 9.579 -7.709 -16.244 1.00 1.34 O ATOM 0 H SER A 13 7.634 -8.223 -14.133 1.00 65.21 H new ATOM 0 HA SER A 13 7.904 -9.711 -16.618 1.00 62.14 H new ATOM 0 HB2 SER A 13 9.896 -8.770 -14.509 1.00 5.32 H new ATOM 0 HB3 SER A 13 10.346 -9.601 -15.985 1.00 5.32 H new ATOM 0 HG SER A 13 9.888 -6.991 -15.652 1.00 1.34 H new ATOM 194 N ALA A 14 7.483 -11.279 -13.979 1.00 43.30 N ATOM 195 CA ALA A 14 7.469 -12.576 -13.315 1.00 61.45 C ATOM 196 C ALA A 14 6.057 -13.149 -13.259 1.00 52.15 C ATOM 197 O ALA A 14 5.836 -14.231 -12.714 1.00 14.12 O ATOM 198 CB ALA A 14 8.049 -12.459 -11.914 1.00 10.23 C ATOM 0 H ALA A 14 6.804 -10.611 -13.614 1.00 43.30 H new ATOM 0 HA ALA A 14 8.088 -13.260 -13.896 1.00 61.45 H new ATOM 0 HB1 ALA A 14 8.032 -13.436 -11.430 1.00 10.23 H new ATOM 0 HB2 ALA A 14 9.077 -12.102 -11.974 1.00 10.23 H new ATOM 0 HB3 ALA A 14 7.454 -11.755 -11.332 1.00 10.23 H new ATOM 204 N LEU A 15 5.104 -12.417 -13.826 1.00 11.21 N ATOM 205 CA LEU A 15 3.712 -12.852 -13.840 1.00 15.31 C ATOM 206 C LEU A 15 3.489 -13.933 -14.893 1.00 3.23 C ATOM 207 O LEU A 15 3.139 -15.067 -14.568 1.00 23.33 O ATOM 208 CB LEU A 15 2.788 -11.663 -14.111 1.00 10.34 C ATOM 209 CG LEU A 15 2.164 -11.004 -12.880 1.00 11.21 C ATOM 210 CD1 LEU A 15 1.581 -9.646 -13.239 1.00 74.14 C ATOM 211 CD2 LEU A 15 1.094 -11.903 -12.278 1.00 23.40 C ATOM 0 H LEU A 15 5.270 -11.520 -14.282 1.00 11.21 H new ATOM 0 HA LEU A 15 3.479 -13.271 -12.861 1.00 15.31 H new ATOM 0 HB2 LEU A 15 3.352 -10.907 -14.656 1.00 10.34 H new ATOM 0 HB3 LEU A 15 1.984 -11.996 -14.767 1.00 10.34 H new ATOM 0 HG LEU A 15 2.946 -10.856 -12.136 1.00 11.21 H new ATOM 0 HD11 LEU A 15 1.141 -9.192 -12.351 1.00 74.14 H new ATOM 0 HD12 LEU A 15 2.371 -9.001 -13.623 1.00 74.14 H new ATOM 0 HD13 LEU A 15 0.812 -9.770 -14.001 1.00 74.14 H new ATOM 0 HD21 LEU A 15 0.661 -11.418 -11.403 1.00 23.40 H new ATOM 0 HD22 LEU A 15 0.313 -12.084 -13.016 1.00 23.40 H new ATOM 0 HD23 LEU A 15 1.541 -12.852 -11.983 1.00 23.40 H new ATOM 223 N SER A 16 3.697 -13.574 -16.155 1.00 41.55 N ATOM 224 CA SER A 16 3.518 -14.512 -17.257 1.00 31.43 C ATOM 225 C SER A 16 4.864 -14.917 -17.850 1.00 50.44 C ATOM 226 O SER A 16 4.946 -15.329 -19.007 1.00 71.23 O ATOM 227 CB SER A 16 2.634 -13.895 -18.342 1.00 73.51 C ATOM 228 OG SER A 16 1.383 -14.557 -18.417 1.00 54.35 O ATOM 0 H SER A 16 3.990 -12.640 -16.440 1.00 41.55 H new ATOM 0 HA SER A 16 3.030 -15.405 -16.866 1.00 31.43 H new ATOM 0 HB2 SER A 16 2.477 -12.837 -18.130 1.00 73.51 H new ATOM 0 HB3 SER A 16 3.140 -13.956 -19.306 1.00 73.51 H new ATOM 0 HG SER A 16 0.835 -14.143 -19.117 1.00 54.35 H new ATOM 234 N SER A 17 5.918 -14.795 -17.049 1.00 55.22 N ATOM 235 CA SER A 17 7.261 -15.143 -17.495 1.00 64.32 C ATOM 236 C SER A 17 7.580 -16.600 -17.174 1.00 34.43 C ATOM 237 O SER A 17 8.057 -17.346 -18.030 1.00 24.25 O ATOM 238 CB SER A 17 8.294 -14.227 -16.836 1.00 40.44 C ATOM 239 OG SER A 17 9.241 -14.975 -16.094 1.00 73.50 O ATOM 0 H SER A 17 5.867 -14.458 -16.088 1.00 55.22 H new ATOM 0 HA SER A 17 7.304 -15.009 -18.576 1.00 64.32 H new ATOM 0 HB2 SER A 17 8.806 -13.643 -17.600 1.00 40.44 H new ATOM 0 HB3 SER A 17 7.790 -13.519 -16.178 1.00 40.44 H new ATOM 0 HG SER A 17 9.890 -14.366 -15.684 1.00 73.50 H new ATOM 245 N CYS A 18 7.311 -16.998 -15.935 1.00 64.42 N ATOM 246 CA CYS A 18 7.569 -18.366 -15.499 1.00 25.03 C ATOM 247 C CYS A 18 6.340 -19.244 -15.706 1.00 72.13 C ATOM 248 O CYS A 18 5.977 -20.035 -14.836 1.00 70.22 O ATOM 249 CB CYS A 18 7.982 -18.384 -14.026 1.00 75.30 C ATOM 250 SG CYS A 18 9.253 -17.171 -13.600 1.00 61.52 S ATOM 0 H CYS A 18 6.915 -16.393 -15.215 1.00 64.42 H new ATOM 0 HA CYS A 18 8.384 -18.766 -16.102 1.00 25.03 H new ATOM 0 HB2 CYS A 18 7.101 -18.202 -13.411 1.00 75.30 H new ATOM 0 HB3 CYS A 18 8.347 -19.380 -13.774 1.00 75.30 H new ATOM 0 HG CYS A 18 9.304 -16.255 -14.521 1.00 61.52 H new ATOM 256 N GLN A 19 5.703 -19.097 -16.863 1.00 73.24 N ATOM 257 CA GLN A 19 4.512 -19.876 -17.184 1.00 0.45 C ATOM 258 C GLN A 19 4.633 -20.512 -18.564 1.00 72.31 C ATOM 259 O GLN A 19 3.705 -21.166 -19.040 1.00 24.41 O ATOM 260 CB GLN A 19 3.267 -18.990 -17.125 1.00 14.54 C ATOM 261 CG GLN A 19 3.268 -17.869 -18.152 1.00 74.54 C ATOM 262 CD GLN A 19 2.819 -18.335 -19.523 1.00 55.04 C ATOM 263 OE1 GLN A 19 3.610 -18.385 -20.465 1.00 25.10 O ATOM 264 NE2 GLN A 19 1.542 -18.679 -19.643 1.00 74.12 N ATOM 0 H GLN A 19 5.991 -18.446 -17.594 1.00 73.24 H new ATOM 0 HA GLN A 19 4.419 -20.672 -16.445 1.00 0.45 H new ATOM 0 HB2 GLN A 19 2.383 -19.609 -17.277 1.00 14.54 H new ATOM 0 HB3 GLN A 19 3.186 -18.558 -16.128 1.00 14.54 H new ATOM 0 HG2 GLN A 19 2.612 -17.068 -17.811 1.00 74.54 H new ATOM 0 HG3 GLN A 19 4.271 -17.449 -18.225 1.00 74.54 H new ATOM 0 HE21 GLN A 19 0.921 -18.622 -18.836 1.00 74.12 H new ATOM 0 HE22 GLN A 19 1.183 -19.000 -20.542 1.00 74.12 H new ATOM 273 N ALA A 20 5.782 -20.316 -19.203 1.00 13.35 N ATOM 274 CA ALA A 20 6.024 -20.872 -20.528 1.00 2.02 C ATOM 275 C ALA A 20 6.377 -22.353 -20.445 1.00 74.33 C ATOM 276 O ALA A 20 6.458 -22.922 -19.357 1.00 74.01 O ATOM 277 CB ALA A 20 7.134 -20.102 -21.229 1.00 15.34 C ATOM 0 H ALA A 20 6.560 -19.776 -18.824 1.00 13.35 H new ATOM 0 HA ALA A 20 5.107 -20.775 -21.109 1.00 2.02 H new ATOM 0 HB1 ALA A 20 7.304 -20.528 -22.218 1.00 15.34 H new ATOM 0 HB2 ALA A 20 6.844 -19.056 -21.330 1.00 15.34 H new ATOM 0 HB3 ALA A 20 8.050 -20.169 -20.642 1.00 15.34 H new ATOM 283 N ALA A 21 6.585 -22.973 -21.603 1.00 15.43 N ATOM 284 CA ALA A 21 6.929 -24.388 -21.661 1.00 5.33 C ATOM 285 C ALA A 21 8.434 -24.592 -21.516 1.00 34.44 C ATOM 286 O ALA A 21 8.905 -25.720 -21.369 1.00 32.32 O ATOM 287 CB ALA A 21 6.435 -24.998 -22.963 1.00 71.55 C ATOM 0 H ALA A 21 6.521 -22.517 -22.513 1.00 15.43 H new ATOM 0 HA ALA A 21 6.438 -24.891 -20.828 1.00 5.33 H new ATOM 0 HB1 ALA A 21 6.699 -26.055 -22.993 1.00 71.55 H new ATOM 0 HB2 ALA A 21 5.352 -24.892 -23.026 1.00 71.55 H new ATOM 0 HB3 ALA A 21 6.899 -24.484 -23.805 1.00 71.55 H new ATOM 293 N ASP A 22 9.182 -23.496 -21.558 1.00 50.34 N ATOM 294 CA ASP A 22 10.634 -23.555 -21.431 1.00 75.13 C ATOM 295 C ASP A 22 11.204 -22.187 -21.070 1.00 32.25 C ATOM 296 O ASP A 22 12.193 -21.742 -21.652 1.00 32.21 O ATOM 297 CB ASP A 22 11.261 -24.055 -22.734 1.00 12.24 C ATOM 298 CG ASP A 22 12.678 -24.557 -22.538 1.00 72.33 C ATOM 299 OD1 ASP A 22 12.843 -25.684 -22.025 1.00 14.01 O ATOM 300 OD2 ASP A 22 13.622 -23.824 -22.899 1.00 72.35 O ATOM 0 H ASP A 22 8.807 -22.555 -21.679 1.00 50.34 H new ATOM 0 HA ASP A 22 10.876 -24.252 -20.629 1.00 75.13 H new ATOM 0 HB2 ASP A 22 10.648 -24.857 -23.145 1.00 12.24 H new ATOM 0 HB3 ASP A 22 11.262 -23.248 -23.467 1.00 12.24 H new ATOM 305 N SER A 23 10.573 -21.525 -20.105 1.00 54.24 N ATOM 306 CA SER A 23 11.014 -20.205 -19.669 1.00 61.23 C ATOM 307 C SER A 23 11.598 -20.266 -18.261 1.00 44.32 C ATOM 308 O SER A 23 12.672 -19.723 -17.998 1.00 72.02 O ATOM 309 CB SER A 23 9.848 -19.216 -19.708 1.00 1.53 C ATOM 310 OG SER A 23 10.253 -17.932 -19.263 1.00 63.41 O ATOM 0 H SER A 23 9.755 -21.881 -19.610 1.00 54.24 H new ATOM 0 HA SER A 23 11.792 -19.864 -20.352 1.00 61.23 H new ATOM 0 HB2 SER A 23 9.460 -19.146 -20.724 1.00 1.53 H new ATOM 0 HB3 SER A 23 9.035 -19.582 -19.081 1.00 1.53 H new ATOM 0 HG SER A 23 9.641 -17.620 -18.564 1.00 63.41 H new ATOM 316 N PHE A 24 10.884 -20.930 -17.359 1.00 72.00 N ATOM 317 CA PHE A 24 11.330 -21.062 -15.977 1.00 15.42 C ATOM 318 C PHE A 24 12.664 -21.798 -15.903 1.00 40.14 C ATOM 319 O PHE A 24 12.704 -23.021 -15.781 1.00 71.41 O ATOM 320 CB PHE A 24 10.279 -21.803 -15.148 1.00 73.42 C ATOM 321 CG PHE A 24 10.738 -22.138 -13.758 1.00 23.10 C ATOM 322 CD1 PHE A 24 11.221 -21.149 -12.917 1.00 11.43 C ATOM 323 CD2 PHE A 24 10.687 -23.442 -13.292 1.00 63.03 C ATOM 324 CE1 PHE A 24 11.645 -21.454 -11.637 1.00 62.13 C ATOM 325 CE2 PHE A 24 11.110 -23.754 -12.014 1.00 11.54 C ATOM 326 CZ PHE A 24 11.588 -22.758 -11.185 1.00 5.12 C ATOM 0 H PHE A 24 9.994 -21.385 -17.560 1.00 72.00 H new ATOM 0 HA PHE A 24 11.465 -20.061 -15.569 1.00 15.42 H new ATOM 0 HB2 PHE A 24 9.379 -21.191 -15.087 1.00 73.42 H new ATOM 0 HB3 PHE A 24 10.005 -22.724 -15.663 1.00 73.42 H new ATOM 0 HD1 PHE A 24 11.267 -20.128 -13.265 1.00 11.43 H new ATOM 0 HD2 PHE A 24 10.312 -24.224 -13.936 1.00 63.03 H new ATOM 0 HE1 PHE A 24 12.020 -20.674 -10.991 1.00 62.13 H new ATOM 0 HE2 PHE A 24 11.067 -24.775 -11.664 1.00 11.54 H new ATOM 0 HZ PHE A 24 11.917 -22.998 -10.185 1.00 5.12 H new ATOM 336 N ASN A 25 13.755 -21.042 -15.980 1.00 32.41 N ATOM 337 CA ASN A 25 15.092 -21.622 -15.923 1.00 72.54 C ATOM 338 C ASN A 25 15.967 -20.875 -14.922 1.00 42.02 C ATOM 339 O ASN A 25 15.511 -19.947 -14.254 1.00 33.11 O ATOM 340 CB ASN A 25 15.742 -21.593 -17.308 1.00 50.11 C ATOM 341 CG ASN A 25 16.272 -20.219 -17.669 1.00 11.42 C ATOM 342 OD1 ASN A 25 17.480 -20.022 -17.802 1.00 71.22 O ATOM 343 ND2 ASN A 25 15.368 -19.259 -17.828 1.00 73.12 N ATOM 0 H ASN A 25 13.739 -20.027 -16.082 1.00 32.41 H new ATOM 0 HA ASN A 25 14.999 -22.657 -15.594 1.00 72.54 H new ATOM 0 HB2 ASN A 25 16.559 -22.314 -17.338 1.00 50.11 H new ATOM 0 HB3 ASN A 25 15.013 -21.906 -18.055 1.00 50.11 H new ATOM 0 HD21 ASN A 25 15.665 -18.314 -18.070 1.00 73.12 H new ATOM 0 HD22 ASN A 25 14.377 -19.467 -17.708 1.00 73.12 H new ATOM 350 N TYR A 26 17.227 -21.285 -14.824 1.00 72.24 N ATOM 351 CA TYR A 26 18.166 -20.656 -13.904 1.00 22.02 C ATOM 352 C TYR A 26 18.164 -19.140 -14.075 1.00 63.00 C ATOM 353 O TYR A 26 18.358 -18.394 -13.115 1.00 32.12 O ATOM 354 CB TYR A 26 19.577 -21.204 -14.128 1.00 13.12 C ATOM 355 CG TYR A 26 19.957 -21.320 -15.587 1.00 14.14 C ATOM 356 CD1 TYR A 26 20.410 -20.215 -16.297 1.00 75.10 C ATOM 357 CD2 TYR A 26 19.864 -22.535 -16.254 1.00 54.14 C ATOM 358 CE1 TYR A 26 20.757 -20.317 -17.630 1.00 51.52 C ATOM 359 CE2 TYR A 26 20.210 -22.646 -17.587 1.00 43.11 C ATOM 360 CZ TYR A 26 20.656 -21.534 -18.271 1.00 11.13 C ATOM 361 OH TYR A 26 21.002 -21.639 -19.598 1.00 64.32 O ATOM 0 H TYR A 26 17.621 -22.050 -15.371 1.00 72.24 H new ATOM 0 HA TYR A 26 17.850 -20.889 -12.887 1.00 22.02 H new ATOM 0 HB2 TYR A 26 20.294 -20.555 -13.625 1.00 13.12 H new ATOM 0 HB3 TYR A 26 19.654 -22.186 -13.662 1.00 13.12 H new ATOM 0 HD1 TYR A 26 20.492 -19.261 -15.798 1.00 75.10 H new ATOM 0 HD2 TYR A 26 19.515 -23.408 -15.722 1.00 54.14 H new ATOM 0 HE1 TYR A 26 21.106 -19.448 -18.168 1.00 51.52 H new ATOM 0 HE2 TYR A 26 20.132 -23.598 -18.091 1.00 43.11 H new ATOM 0 HH TYR A 26 20.874 -22.563 -19.897 1.00 64.32 H new ATOM 371 N LYS A 27 17.943 -18.691 -15.306 1.00 5.42 N ATOM 372 CA LYS A 27 17.914 -17.264 -15.606 1.00 74.11 C ATOM 373 C LYS A 27 16.627 -16.627 -15.092 1.00 10.44 C ATOM 374 O LYS A 27 16.658 -15.581 -14.443 1.00 15.03 O ATOM 375 CB LYS A 27 18.040 -17.037 -17.114 1.00 44.31 C ATOM 376 CG LYS A 27 19.470 -17.107 -17.622 1.00 3.23 C ATOM 377 CD LYS A 27 19.775 -15.974 -18.587 1.00 5.41 C ATOM 378 CE LYS A 27 19.406 -16.343 -20.015 1.00 72.33 C ATOM 379 NZ LYS A 27 19.637 -15.214 -20.958 1.00 13.10 N ATOM 0 H LYS A 27 17.781 -19.295 -16.112 1.00 5.42 H new ATOM 0 HA LYS A 27 18.759 -16.794 -15.102 1.00 74.11 H new ATOM 0 HB2 LYS A 27 17.441 -17.783 -17.637 1.00 44.31 H new ATOM 0 HB3 LYS A 27 17.622 -16.061 -17.362 1.00 44.31 H new ATOM 0 HG2 LYS A 27 20.159 -17.063 -16.779 1.00 3.23 H new ATOM 0 HG3 LYS A 27 19.634 -18.063 -18.119 1.00 3.23 H new ATOM 0 HD2 LYS A 27 19.225 -15.082 -18.287 1.00 5.41 H new ATOM 0 HD3 LYS A 27 20.836 -15.727 -18.536 1.00 5.41 H new ATOM 0 HE2 LYS A 27 19.993 -17.205 -20.330 1.00 72.33 H new ATOM 0 HE3 LYS A 27 18.358 -16.640 -20.054 1.00 72.33 H new ATOM 0 HZ1 LYS A 27 19.373 -15.506 -21.921 1.00 13.10 H new ATOM 0 HZ2 LYS A 27 19.057 -14.399 -20.672 1.00 13.10 H new ATOM 0 HZ3 LYS A 27 20.642 -14.947 -20.940 1.00 13.10 H new ATOM 393 N SER A 28 15.498 -17.264 -15.384 1.00 51.13 N ATOM 394 CA SER A 28 14.200 -16.757 -14.953 1.00 23.31 C ATOM 395 C SER A 28 14.198 -16.476 -13.453 1.00 42.35 C ATOM 396 O SER A 28 13.733 -15.427 -13.008 1.00 12.52 O ATOM 397 CB SER A 28 13.098 -17.761 -15.296 1.00 54.34 C ATOM 398 OG SER A 28 11.826 -17.136 -15.309 1.00 34.24 O ATOM 0 H SER A 28 15.455 -18.132 -15.917 1.00 51.13 H new ATOM 0 HA SER A 28 14.008 -15.823 -15.481 1.00 23.31 H new ATOM 0 HB2 SER A 28 13.298 -18.207 -16.270 1.00 54.34 H new ATOM 0 HB3 SER A 28 13.101 -18.572 -14.568 1.00 54.34 H new ATOM 0 HG SER A 28 11.292 -17.465 -14.556 1.00 34.24 H new ATOM 404 N PHE A 29 14.722 -17.421 -12.680 1.00 12.33 N ATOM 405 CA PHE A 29 14.780 -17.276 -11.230 1.00 21.22 C ATOM 406 C PHE A 29 15.512 -15.995 -10.840 1.00 21.32 C ATOM 407 O PHE A 29 15.269 -15.428 -9.775 1.00 12.52 O ATOM 408 CB PHE A 29 15.476 -18.486 -10.603 1.00 4.10 C ATOM 409 CG PHE A 29 15.572 -18.413 -9.106 1.00 21.32 C ATOM 410 CD1 PHE A 29 16.573 -17.673 -8.497 1.00 60.24 C ATOM 411 CD2 PHE A 29 14.661 -19.086 -8.307 1.00 4.32 C ATOM 412 CE1 PHE A 29 16.664 -17.604 -7.120 1.00 33.01 C ATOM 413 CE2 PHE A 29 14.747 -19.020 -6.929 1.00 12.20 C ATOM 414 CZ PHE A 29 15.750 -18.279 -6.335 1.00 31.12 C ATOM 0 H PHE A 29 15.112 -18.295 -13.033 1.00 12.33 H new ATOM 0 HA PHE A 29 13.758 -17.218 -10.854 1.00 21.22 H new ATOM 0 HB2 PHE A 29 14.935 -19.391 -10.881 1.00 4.10 H new ATOM 0 HB3 PHE A 29 16.479 -18.574 -11.020 1.00 4.10 H new ATOM 0 HD1 PHE A 29 17.291 -17.144 -9.106 1.00 60.24 H new ATOM 0 HD2 PHE A 29 13.876 -19.668 -8.766 1.00 4.32 H new ATOM 0 HE1 PHE A 29 17.449 -17.023 -6.658 1.00 33.01 H new ATOM 0 HE2 PHE A 29 14.030 -19.548 -6.317 1.00 12.20 H new ATOM 0 HZ PHE A 29 15.819 -18.228 -5.258 1.00 31.12 H new ATOM 424 N PHE A 30 16.410 -15.546 -11.710 1.00 25.20 N ATOM 425 CA PHE A 30 17.180 -14.333 -11.457 1.00 71.51 C ATOM 426 C PHE A 30 16.387 -13.093 -11.859 1.00 4.14 C ATOM 427 O PHE A 30 16.484 -12.047 -11.217 1.00 41.21 O ATOM 428 CB PHE A 30 18.505 -14.376 -12.222 1.00 14.13 C ATOM 429 CG PHE A 30 19.400 -15.508 -11.807 1.00 60.32 C ATOM 430 CD1 PHE A 30 19.478 -15.897 -10.480 1.00 34.25 C ATOM 431 CD2 PHE A 30 20.164 -16.184 -12.745 1.00 73.21 C ATOM 432 CE1 PHE A 30 20.301 -16.938 -10.095 1.00 64.34 C ATOM 433 CE2 PHE A 30 20.989 -17.226 -12.367 1.00 20.41 C ATOM 434 CZ PHE A 30 21.057 -17.605 -11.040 1.00 41.44 C ATOM 0 H PHE A 30 16.623 -16.003 -12.596 1.00 25.20 H new ATOM 0 HA PHE A 30 17.387 -14.280 -10.388 1.00 71.51 H new ATOM 0 HB2 PHE A 30 18.297 -14.460 -13.289 1.00 14.13 H new ATOM 0 HB3 PHE A 30 19.032 -13.433 -12.073 1.00 14.13 H new ATOM 0 HD1 PHE A 30 18.888 -15.380 -9.737 1.00 34.25 H new ATOM 0 HD2 PHE A 30 20.114 -15.893 -13.784 1.00 73.21 H new ATOM 0 HE1 PHE A 30 20.353 -17.230 -9.057 1.00 64.34 H new ATOM 0 HE2 PHE A 30 21.580 -17.744 -13.108 1.00 20.41 H new ATOM 0 HZ PHE A 30 21.699 -18.420 -10.742 1.00 41.44 H new ATOM 444 N SER A 31 15.604 -13.218 -12.925 1.00 41.02 N ATOM 445 CA SER A 31 14.798 -12.106 -13.416 1.00 72.50 C ATOM 446 C SER A 31 13.427 -12.092 -12.746 1.00 61.32 C ATOM 447 O SER A 31 12.524 -11.368 -13.167 1.00 21.21 O ATOM 448 CB SER A 31 14.635 -12.198 -14.934 1.00 61.35 C ATOM 449 OG SER A 31 13.892 -11.100 -15.435 1.00 71.51 O ATOM 0 H SER A 31 15.510 -14.078 -13.466 1.00 41.02 H new ATOM 0 HA SER A 31 15.314 -11.178 -13.169 1.00 72.50 H new ATOM 0 HB2 SER A 31 15.617 -12.223 -15.407 1.00 61.35 H new ATOM 0 HB3 SER A 31 14.132 -13.130 -15.193 1.00 61.35 H new ATOM 0 HG SER A 31 13.286 -10.770 -14.739 1.00 71.51 H new ATOM 455 N THR A 32 13.278 -12.899 -11.700 1.00 4.44 N ATOM 456 CA THR A 32 12.019 -12.981 -10.971 1.00 52.02 C ATOM 457 C THR A 32 11.689 -11.657 -10.292 1.00 1.14 C ATOM 458 O THR A 32 12.553 -10.794 -10.139 1.00 44.42 O ATOM 459 CB THR A 32 12.056 -14.095 -9.908 1.00 64.23 C ATOM 460 OG1 THR A 32 12.783 -15.224 -10.407 1.00 53.12 O ATOM 461 CG2 THR A 32 10.648 -14.522 -9.522 1.00 23.30 C ATOM 0 H THR A 32 14.014 -13.505 -11.339 1.00 4.44 H new ATOM 0 HA THR A 32 11.245 -13.213 -11.703 1.00 52.02 H new ATOM 0 HB THR A 32 12.556 -13.705 -9.021 1.00 64.23 H new ATOM 0 HG1 THR A 32 12.889 -15.142 -11.378 1.00 53.12 H new ATOM 0 HG21 THR A 32 10.700 -15.310 -8.770 1.00 23.30 H new ATOM 0 HG22 THR A 32 10.107 -13.667 -9.116 1.00 23.30 H new ATOM 0 HG23 THR A 32 10.127 -14.896 -10.403 1.00 23.30 H new ATOM 469 N VAL A 33 10.433 -11.503 -9.884 1.00 3.13 N ATOM 470 CA VAL A 33 9.990 -10.284 -9.218 1.00 53.11 C ATOM 471 C VAL A 33 10.954 -9.882 -8.108 1.00 20.03 C ATOM 472 O VAL A 33 11.121 -8.699 -7.814 1.00 70.11 O ATOM 473 CB VAL A 33 8.579 -10.451 -8.622 1.00 62.14 C ATOM 474 CG1 VAL A 33 8.488 -11.739 -7.819 1.00 21.24 C ATOM 475 CG2 VAL A 33 8.219 -9.249 -7.762 1.00 72.40 C ATOM 0 H VAL A 33 9.705 -12.207 -10.003 1.00 3.13 H new ATOM 0 HA VAL A 33 9.966 -9.501 -9.976 1.00 53.11 H new ATOM 0 HB VAL A 33 7.862 -10.511 -9.441 1.00 62.14 H new ATOM 0 HG11 VAL A 33 7.484 -11.840 -7.406 1.00 21.24 H new ATOM 0 HG12 VAL A 33 8.700 -12.588 -8.468 1.00 21.24 H new ATOM 0 HG13 VAL A 33 9.214 -11.713 -7.006 1.00 21.24 H new ATOM 0 HG21 VAL A 33 7.219 -9.383 -7.349 1.00 72.40 H new ATOM 0 HG22 VAL A 33 8.938 -9.155 -6.948 1.00 72.40 H new ATOM 0 HG23 VAL A 33 8.241 -8.346 -8.372 1.00 72.40 H new ATOM 485 N GLY A 34 11.588 -10.876 -7.493 1.00 60.21 N ATOM 486 CA GLY A 34 12.529 -10.606 -6.422 1.00 32.13 C ATOM 487 C GLY A 34 12.002 -11.034 -5.066 1.00 62.02 C ATOM 488 O GLY A 34 12.753 -11.096 -4.092 1.00 32.35 O ATOM 0 H GLY A 34 11.466 -11.864 -7.718 1.00 60.21 H new ATOM 0 HA2 GLY A 34 13.465 -11.126 -6.625 1.00 32.13 H new ATOM 0 HA3 GLY A 34 12.755 -9.540 -6.401 1.00 32.13 H new ATOM 492 N LEU A 35 10.708 -11.328 -5.002 1.00 64.30 N ATOM 493 CA LEU A 35 10.081 -11.751 -3.755 1.00 31.22 C ATOM 494 C LEU A 35 10.730 -13.025 -3.223 1.00 43.10 C ATOM 495 O LEU A 35 10.993 -13.147 -2.027 1.00 2.43 O ATOM 496 CB LEU A 35 8.583 -11.979 -3.966 1.00 41.21 C ATOM 497 CG LEU A 35 7.649 -11.202 -3.038 1.00 33.34 C ATOM 498 CD1 LEU A 35 6.203 -11.614 -3.269 1.00 41.11 C ATOM 499 CD2 LEU A 35 8.041 -11.420 -1.583 1.00 55.43 C ATOM 0 H LEU A 35 10.073 -11.281 -5.799 1.00 64.30 H new ATOM 0 HA LEU A 35 10.222 -10.959 -3.020 1.00 31.22 H new ATOM 0 HB2 LEU A 35 8.338 -11.719 -4.996 1.00 41.21 H new ATOM 0 HB3 LEU A 35 8.378 -13.043 -3.848 1.00 41.21 H new ATOM 0 HG LEU A 35 7.744 -10.140 -3.265 1.00 33.34 H new ATOM 0 HD11 LEU A 35 5.553 -11.051 -2.600 1.00 41.11 H new ATOM 0 HD12 LEU A 35 5.926 -11.407 -4.303 1.00 41.11 H new ATOM 0 HD13 LEU A 35 6.092 -12.680 -3.070 1.00 41.11 H new ATOM 0 HD21 LEU A 35 7.366 -10.860 -0.936 1.00 55.43 H new ATOM 0 HD22 LEU A 35 7.975 -12.481 -1.344 1.00 55.43 H new ATOM 0 HD23 LEU A 35 9.063 -11.075 -1.426 1.00 55.43 H new ATOM 511 N SER A 36 10.988 -13.971 -4.121 1.00 3.34 N ATOM 512 CA SER A 36 11.606 -15.236 -3.742 1.00 31.14 C ATOM 513 C SER A 36 13.063 -15.030 -3.339 1.00 30.41 C ATOM 514 O SER A 36 13.716 -15.947 -2.841 1.00 63.31 O ATOM 515 CB SER A 36 11.520 -16.236 -4.897 1.00 3.24 C ATOM 516 OG SER A 36 12.374 -17.345 -4.675 1.00 41.14 O ATOM 0 H SER A 36 10.779 -13.885 -5.116 1.00 3.34 H new ATOM 0 HA SER A 36 11.064 -15.635 -2.885 1.00 31.14 H new ATOM 0 HB2 SER A 36 10.492 -16.581 -5.008 1.00 3.24 H new ATOM 0 HB3 SER A 36 11.793 -15.743 -5.830 1.00 3.24 H new ATOM 0 HG SER A 36 12.848 -17.228 -3.826 1.00 41.14 H new ATOM 522 N SER A 37 13.566 -13.820 -3.558 1.00 53.34 N ATOM 523 CA SER A 37 14.947 -13.493 -3.223 1.00 34.04 C ATOM 524 C SER A 37 15.006 -12.557 -2.019 1.00 42.14 C ATOM 525 O SER A 37 16.002 -12.517 -1.297 1.00 24.20 O ATOM 526 CB SER A 37 15.646 -12.848 -4.420 1.00 41.44 C ATOM 527 OG SER A 37 15.971 -13.815 -5.403 1.00 64.22 O ATOM 0 H SER A 37 13.038 -13.049 -3.966 1.00 53.34 H new ATOM 0 HA SER A 37 15.462 -14.419 -2.967 1.00 34.04 H new ATOM 0 HB2 SER A 37 15.000 -12.086 -4.855 1.00 41.44 H new ATOM 0 HB3 SER A 37 16.553 -12.344 -4.087 1.00 41.44 H new ATOM 0 HG SER A 37 16.415 -13.377 -6.159 1.00 64.22 H new ATOM 533 N LYS A 38 13.932 -11.804 -1.810 1.00 53.20 N ATOM 534 CA LYS A 38 13.858 -10.868 -0.695 1.00 4.35 C ATOM 535 C LYS A 38 14.203 -11.560 0.620 1.00 33.13 C ATOM 536 O LYS A 38 14.353 -12.781 0.671 1.00 62.34 O ATOM 537 CB LYS A 38 12.459 -10.253 -0.609 1.00 23.44 C ATOM 538 CG LYS A 38 12.236 -9.111 -1.584 1.00 53.11 C ATOM 539 CD LYS A 38 12.970 -7.854 -1.148 1.00 53.23 C ATOM 540 CE LYS A 38 12.396 -6.614 -1.816 1.00 52.41 C ATOM 541 NZ LYS A 38 12.700 -5.377 -1.044 1.00 43.03 N ATOM 0 H LYS A 38 13.100 -11.824 -2.399 1.00 53.20 H new ATOM 0 HA LYS A 38 14.586 -10.075 -0.870 1.00 4.35 H new ATOM 0 HB2 LYS A 38 11.718 -11.030 -0.797 1.00 23.44 H new ATOM 0 HB3 LYS A 38 12.292 -9.891 0.406 1.00 23.44 H new ATOM 0 HG2 LYS A 38 12.577 -9.407 -2.576 1.00 53.11 H new ATOM 0 HG3 LYS A 38 11.169 -8.902 -1.663 1.00 53.11 H new ATOM 0 HD2 LYS A 38 12.903 -7.749 -0.065 1.00 53.23 H new ATOM 0 HD3 LYS A 38 14.028 -7.945 -1.395 1.00 53.23 H new ATOM 0 HE2 LYS A 38 12.803 -6.523 -2.823 1.00 52.41 H new ATOM 0 HE3 LYS A 38 11.316 -6.723 -1.917 1.00 52.41 H new ATOM 0 HZ1 LYS A 38 12.081 -4.606 -1.366 1.00 43.03 H new ATOM 0 HZ2 LYS A 38 12.538 -5.551 -0.032 1.00 43.03 H new ATOM 0 HZ3 LYS A 38 13.694 -5.109 -1.194 1.00 43.03 H new ATOM 555 N THR A 39 14.325 -10.773 1.684 1.00 2.54 N ATOM 556 CA THR A 39 14.651 -11.310 2.999 1.00 3.34 C ATOM 557 C THR A 39 13.396 -11.772 3.731 1.00 4.42 C ATOM 558 O THR A 39 12.284 -11.326 3.449 1.00 41.44 O ATOM 559 CB THR A 39 15.383 -10.268 3.866 1.00 1.32 C ATOM 560 OG1 THR A 39 16.623 -10.806 4.337 1.00 24.52 O ATOM 561 CG2 THR A 39 14.524 -9.849 5.050 1.00 61.12 C ATOM 0 H THR A 39 14.203 -9.761 1.661 1.00 2.54 H new ATOM 0 HA THR A 39 15.309 -12.164 2.837 1.00 3.34 H new ATOM 0 HB THR A 39 15.579 -9.390 3.251 1.00 1.32 H new ATOM 0 HG1 THR A 39 16.632 -10.799 5.317 1.00 24.52 H new ATOM 0 HG21 THR A 39 15.062 -9.113 5.647 1.00 61.12 H new ATOM 0 HG22 THR A 39 13.593 -9.412 4.688 1.00 61.12 H new ATOM 0 HG23 THR A 39 14.301 -10.721 5.664 1.00 61.12 H new ATOM 569 N PRO A 40 13.576 -12.687 4.696 1.00 53.55 N ATOM 570 CA PRO A 40 12.468 -13.228 5.489 1.00 43.20 C ATOM 571 C PRO A 40 11.880 -12.194 6.443 1.00 35.42 C ATOM 572 O PRO A 40 12.086 -12.266 7.655 1.00 42.42 O ATOM 573 CB PRO A 40 13.119 -14.370 6.273 1.00 20.11 C ATOM 574 CG PRO A 40 14.559 -13.999 6.359 1.00 41.51 C ATOM 575 CD PRO A 40 14.873 -13.263 5.086 1.00 45.41 C ATOM 0 HA PRO A 40 11.634 -13.544 4.863 1.00 43.20 H new ATOM 0 HB2 PRO A 40 12.677 -14.472 7.264 1.00 20.11 H new ATOM 0 HB3 PRO A 40 12.986 -15.325 5.765 1.00 20.11 H new ATOM 0 HG2 PRO A 40 14.749 -13.371 7.230 1.00 41.51 H new ATOM 0 HG3 PRO A 40 15.185 -14.885 6.462 1.00 41.51 H new ATOM 0 HD2 PRO A 40 15.625 -12.490 5.244 1.00 45.41 H new ATOM 0 HD3 PRO A 40 15.262 -13.934 4.320 1.00 45.41 H new ATOM 583 N ASP A 41 11.146 -11.236 5.890 1.00 55.53 N ATOM 584 CA ASP A 41 10.525 -10.188 6.692 1.00 1.13 C ATOM 585 C ASP A 41 9.634 -9.299 5.830 1.00 4.43 C ATOM 586 O ASP A 41 8.596 -8.818 6.284 1.00 24.25 O ATOM 587 CB ASP A 41 11.597 -9.342 7.382 1.00 73.20 C ATOM 588 CG ASP A 41 11.131 -8.794 8.717 1.00 44.04 C ATOM 589 OD1 ASP A 41 10.495 -7.720 8.727 1.00 4.40 O ATOM 590 OD2 ASP A 41 11.404 -9.439 9.751 1.00 40.00 O ATOM 0 H ASP A 41 10.966 -11.163 4.889 1.00 55.53 H new ATOM 0 HA ASP A 41 9.905 -10.665 7.451 1.00 1.13 H new ATOM 0 HB2 ASP A 41 12.491 -9.946 7.533 1.00 73.20 H new ATOM 0 HB3 ASP A 41 11.878 -8.514 6.731 1.00 73.20 H new ATOM 595 N GLN A 42 10.049 -9.084 4.586 1.00 55.42 N ATOM 596 CA GLN A 42 9.289 -8.250 3.662 1.00 74.45 C ATOM 597 C GLN A 42 8.225 -9.070 2.938 1.00 21.13 C ATOM 598 O GLN A 42 7.178 -8.547 2.556 1.00 11.22 O ATOM 599 CB GLN A 42 10.225 -7.596 2.644 1.00 74.21 C ATOM 600 CG GLN A 42 11.476 -6.997 3.266 1.00 53.24 C ATOM 601 CD GLN A 42 11.191 -6.270 4.565 1.00 30.44 C ATOM 602 OE1 GLN A 42 11.869 -6.484 5.571 1.00 72.41 O ATOM 603 NE2 GLN A 42 10.184 -5.405 4.552 1.00 71.01 N ATOM 0 H GLN A 42 10.906 -9.475 4.195 1.00 55.42 H new ATOM 0 HA GLN A 42 8.791 -7.471 4.240 1.00 74.45 H new ATOM 0 HB2 GLN A 42 10.518 -8.339 1.902 1.00 74.21 H new ATOM 0 HB3 GLN A 42 9.682 -6.813 2.114 1.00 74.21 H new ATOM 0 HG2 GLN A 42 12.201 -7.790 3.449 1.00 53.24 H new ATOM 0 HG3 GLN A 42 11.933 -6.304 2.559 1.00 53.24 H new ATOM 0 HE21 GLN A 42 9.649 -5.259 3.696 1.00 71.01 H new ATOM 0 HE22 GLN A 42 9.946 -4.887 5.398 1.00 71.01 H new ATOM 612 N ILE A 43 8.501 -10.357 2.753 1.00 0.45 N ATOM 613 CA ILE A 43 7.567 -11.248 2.077 1.00 63.14 C ATOM 614 C ILE A 43 6.205 -11.241 2.762 1.00 3.12 C ATOM 615 O ILE A 43 5.173 -11.066 2.115 1.00 74.51 O ATOM 616 CB ILE A 43 8.100 -12.693 2.032 1.00 13.45 C ATOM 617 CG1 ILE A 43 9.482 -12.730 1.377 1.00 75.24 C ATOM 618 CG2 ILE A 43 7.128 -13.593 1.284 1.00 14.34 C ATOM 619 CD1 ILE A 43 10.200 -14.049 1.557 1.00 61.14 C ATOM 0 H ILE A 43 9.364 -10.805 3.062 1.00 0.45 H new ATOM 0 HA ILE A 43 7.459 -10.877 1.058 1.00 63.14 H new ATOM 0 HB ILE A 43 8.193 -13.062 3.053 1.00 13.45 H new ATOM 0 HG12 ILE A 43 9.376 -12.526 0.312 1.00 75.24 H new ATOM 0 HG13 ILE A 43 10.095 -11.932 1.795 1.00 75.24 H new ATOM 0 HG21 ILE A 43 7.519 -14.610 1.261 1.00 14.34 H new ATOM 0 HG22 ILE A 43 6.163 -13.586 1.790 1.00 14.34 H new ATOM 0 HG23 ILE A 43 7.005 -13.228 0.264 1.00 14.34 H new ATOM 0 HD11 ILE A 43 11.173 -14.004 1.067 1.00 61.14 H new ATOM 0 HD12 ILE A 43 10.338 -14.246 2.620 1.00 61.14 H new ATOM 0 HD13 ILE A 43 9.608 -14.849 1.113 1.00 61.14 H new ATOM 631 N LYS A 44 6.210 -11.430 4.077 1.00 1.04 N ATOM 632 CA LYS A 44 4.976 -11.442 4.854 1.00 71.43 C ATOM 633 C LYS A 44 4.179 -10.161 4.629 1.00 30.31 C ATOM 634 O LYS A 44 2.948 -10.176 4.624 1.00 71.44 O ATOM 635 CB LYS A 44 5.287 -11.607 6.343 1.00 64.41 C ATOM 636 CG LYS A 44 6.412 -10.711 6.832 1.00 60.21 C ATOM 637 CD LYS A 44 6.232 -10.338 8.294 1.00 63.40 C ATOM 638 CE LYS A 44 7.315 -10.958 9.164 1.00 1.33 C ATOM 639 NZ LYS A 44 8.299 -9.942 9.632 1.00 60.42 N ATOM 0 H LYS A 44 7.056 -11.577 4.628 1.00 1.04 H new ATOM 0 HA LYS A 44 4.374 -12.287 4.520 1.00 71.43 H new ATOM 0 HB2 LYS A 44 4.387 -11.393 6.919 1.00 64.41 H new ATOM 0 HB3 LYS A 44 5.551 -12.647 6.538 1.00 64.41 H new ATOM 0 HG2 LYS A 44 7.367 -11.220 6.700 1.00 60.21 H new ATOM 0 HG3 LYS A 44 6.447 -9.806 6.226 1.00 60.21 H new ATOM 0 HD2 LYS A 44 6.255 -9.253 8.400 1.00 63.40 H new ATOM 0 HD3 LYS A 44 5.253 -10.671 8.638 1.00 63.40 H new ATOM 0 HE2 LYS A 44 6.856 -11.443 10.025 1.00 1.33 H new ATOM 0 HE3 LYS A 44 7.834 -11.734 8.601 1.00 1.33 H new ATOM 0 HZ1 LYS A 44 9.228 -10.391 9.759 1.00 60.42 H new ATOM 0 HZ2 LYS A 44 8.375 -9.182 8.926 1.00 60.42 H new ATOM 0 HZ3 LYS A 44 7.981 -9.543 10.538 1.00 60.42 H new ATOM 653 N LYS A 45 4.889 -9.054 4.443 1.00 54.44 N ATOM 654 CA LYS A 45 4.248 -7.764 4.215 1.00 44.45 C ATOM 655 C LYS A 45 3.580 -7.723 2.844 1.00 43.51 C ATOM 656 O LYS A 45 2.693 -6.905 2.599 1.00 70.11 O ATOM 657 CB LYS A 45 5.275 -6.634 4.327 1.00 22.42 C ATOM 658 CG LYS A 45 5.382 -6.047 5.724 1.00 44.13 C ATOM 659 CD LYS A 45 6.122 -4.720 5.715 1.00 42.30 C ATOM 660 CE LYS A 45 6.882 -4.496 7.014 1.00 73.43 C ATOM 661 NZ LYS A 45 7.131 -3.051 7.269 1.00 15.42 N ATOM 0 H LYS A 45 5.909 -9.024 4.446 1.00 54.44 H new ATOM 0 HA LYS A 45 3.481 -7.628 4.978 1.00 44.45 H new ATOM 0 HB2 LYS A 45 6.252 -7.011 4.024 1.00 22.42 H new ATOM 0 HB3 LYS A 45 5.008 -5.841 3.628 1.00 22.42 H new ATOM 0 HG2 LYS A 45 4.384 -5.905 6.138 1.00 44.13 H new ATOM 0 HG3 LYS A 45 5.901 -6.750 6.376 1.00 44.13 H new ATOM 0 HD2 LYS A 45 6.818 -4.696 4.876 1.00 42.30 H new ATOM 0 HD3 LYS A 45 5.412 -3.907 5.563 1.00 42.30 H new ATOM 0 HE2 LYS A 45 6.315 -4.919 7.844 1.00 73.43 H new ATOM 0 HE3 LYS A 45 7.833 -5.027 6.974 1.00 73.43 H new ATOM 0 HZ1 LYS A 45 7.651 -2.941 8.163 1.00 15.42 H new ATOM 0 HZ2 LYS A 45 7.693 -2.653 6.490 1.00 15.42 H new ATOM 0 HZ3 LYS A 45 6.223 -2.548 7.332 1.00 15.42 H new ATOM 675 N VAL A 46 4.011 -8.611 1.954 1.00 43.44 N ATOM 676 CA VAL A 46 3.453 -8.677 0.608 1.00 31.44 C ATOM 677 C VAL A 46 2.218 -9.570 0.570 1.00 72.23 C ATOM 678 O VAL A 46 1.405 -9.484 -0.351 1.00 33.03 O ATOM 679 CB VAL A 46 4.487 -9.206 -0.403 1.00 21.30 C ATOM 680 CG1 VAL A 46 3.876 -9.299 -1.793 1.00 2.41 C ATOM 681 CG2 VAL A 46 5.724 -8.320 -0.413 1.00 35.22 C ATOM 0 H VAL A 46 4.745 -9.295 2.140 1.00 43.44 H new ATOM 0 HA VAL A 46 3.173 -7.661 0.331 1.00 31.44 H new ATOM 0 HB VAL A 46 4.788 -10.208 -0.097 1.00 21.30 H new ATOM 0 HG11 VAL A 46 4.622 -9.675 -2.494 1.00 2.41 H new ATOM 0 HG12 VAL A 46 3.024 -9.978 -1.771 1.00 2.41 H new ATOM 0 HG13 VAL A 46 3.544 -8.311 -2.111 1.00 2.41 H new ATOM 0 HG21 VAL A 46 6.444 -8.709 -1.133 1.00 35.22 H new ATOM 0 HG22 VAL A 46 5.442 -7.305 -0.693 1.00 35.22 H new ATOM 0 HG23 VAL A 46 6.173 -8.311 0.580 1.00 35.22 H new ATOM 691 N PHE A 47 2.083 -10.428 1.576 1.00 52.12 N ATOM 692 CA PHE A 47 0.946 -11.338 1.657 1.00 24.12 C ATOM 693 C PHE A 47 -0.278 -10.630 2.230 1.00 3.14 C ATOM 694 O PHE A 47 -1.414 -10.972 1.907 1.00 14.22 O ATOM 695 CB PHE A 47 1.298 -12.551 2.520 1.00 24.44 C ATOM 696 CG PHE A 47 0.170 -13.009 3.399 1.00 31.54 C ATOM 697 CD1 PHE A 47 -0.852 -13.792 2.886 1.00 24.41 C ATOM 698 CD2 PHE A 47 0.131 -12.658 4.739 1.00 51.31 C ATOM 699 CE1 PHE A 47 -1.892 -14.214 3.693 1.00 65.43 C ATOM 700 CE2 PHE A 47 -0.906 -13.077 5.551 1.00 74.25 C ATOM 701 CZ PHE A 47 -1.918 -13.857 5.027 1.00 73.53 C ATOM 0 H PHE A 47 2.746 -10.512 2.346 1.00 52.12 H new ATOM 0 HA PHE A 47 0.709 -11.675 0.648 1.00 24.12 H new ATOM 0 HB2 PHE A 47 1.599 -13.373 1.871 1.00 24.44 H new ATOM 0 HB3 PHE A 47 2.158 -12.306 3.144 1.00 24.44 H new ATOM 0 HD1 PHE A 47 -0.836 -14.076 1.844 1.00 24.41 H new ATOM 0 HD2 PHE A 47 0.921 -12.049 5.154 1.00 51.31 H new ATOM 0 HE1 PHE A 47 -2.683 -14.822 3.281 1.00 65.43 H new ATOM 0 HE2 PHE A 47 -0.925 -12.795 6.593 1.00 74.25 H new ATOM 0 HZ PHE A 47 -2.729 -14.187 5.659 1.00 73.53 H new ATOM 711 N GLY A 48 -0.035 -9.640 3.085 1.00 75.31 N ATOM 712 CA GLY A 48 -1.127 -8.900 3.691 1.00 44.44 C ATOM 713 C GLY A 48 -1.980 -8.182 2.664 1.00 12.42 C ATOM 714 O GLY A 48 -3.096 -7.755 2.964 1.00 23.11 O ATOM 0 H GLY A 48 0.897 -9.338 3.368 1.00 75.31 H new ATOM 0 HA2 GLY A 48 -1.752 -9.585 4.264 1.00 44.44 H new ATOM 0 HA3 GLY A 48 -0.723 -8.173 4.395 1.00 44.44 H new ATOM 718 N ILE A 49 -1.455 -8.046 1.451 1.00 33.21 N ATOM 719 CA ILE A 49 -2.177 -7.374 0.378 1.00 70.13 C ATOM 720 C ILE A 49 -3.161 -8.322 -0.301 1.00 2.55 C ATOM 721 O ILE A 49 -4.317 -7.968 -0.538 1.00 64.31 O ATOM 722 CB ILE A 49 -1.212 -6.809 -0.682 1.00 34.14 C ATOM 723 CG1 ILE A 49 -0.030 -6.111 -0.006 1.00 33.11 C ATOM 724 CG2 ILE A 49 -1.945 -5.848 -1.606 1.00 3.44 C ATOM 725 CD1 ILE A 49 1.001 -5.589 -0.982 1.00 0.25 C ATOM 0 H ILE A 49 -0.533 -8.392 1.187 1.00 33.21 H new ATOM 0 HA ILE A 49 -2.726 -6.550 0.835 1.00 70.13 H new ATOM 0 HB ILE A 49 -0.828 -7.635 -1.280 1.00 34.14 H new ATOM 0 HG12 ILE A 49 -0.403 -5.281 0.594 1.00 33.11 H new ATOM 0 HG13 ILE A 49 0.451 -6.809 0.679 1.00 33.11 H new ATOM 0 HG21 ILE A 49 -1.250 -5.457 -2.349 1.00 3.44 H new ATOM 0 HG22 ILE A 49 -2.756 -6.374 -2.109 1.00 3.44 H new ATOM 0 HG23 ILE A 49 -2.354 -5.023 -1.023 1.00 3.44 H new ATOM 0 HD11 ILE A 49 1.810 -5.107 -0.433 1.00 0.25 H new ATOM 0 HD12 ILE A 49 1.402 -6.418 -1.565 1.00 0.25 H new ATOM 0 HD13 ILE A 49 0.535 -4.866 -1.651 1.00 0.25 H new ATOM 737 N LEU A 50 -2.696 -9.527 -0.609 1.00 23.14 N ATOM 738 CA LEU A 50 -3.535 -10.528 -1.258 1.00 40.02 C ATOM 739 C LEU A 50 -4.916 -10.582 -0.613 1.00 53.24 C ATOM 740 O LEU A 50 -5.935 -10.463 -1.294 1.00 72.22 O ATOM 741 CB LEU A 50 -2.871 -11.904 -1.185 1.00 33.23 C ATOM 742 CG LEU A 50 -1.342 -11.913 -1.192 1.00 73.34 C ATOM 743 CD1 LEU A 50 -0.817 -13.340 -1.200 1.00 60.44 C ATOM 744 CD2 LEU A 50 -0.810 -11.141 -2.391 1.00 14.43 C ATOM 0 H LEU A 50 -1.742 -9.835 -0.420 1.00 23.14 H new ATOM 0 HA LEU A 50 -3.654 -10.244 -2.304 1.00 40.02 H new ATOM 0 HB2 LEU A 50 -3.213 -12.403 -0.278 1.00 33.23 H new ATOM 0 HB3 LEU A 50 -3.222 -12.500 -2.028 1.00 33.23 H new ATOM 0 HG LEU A 50 -0.991 -11.423 -0.284 1.00 73.34 H new ATOM 0 HD11 LEU A 50 0.273 -13.327 -1.205 1.00 60.44 H new ATOM 0 HD12 LEU A 50 -1.169 -13.862 -0.311 1.00 60.44 H new ATOM 0 HD13 LEU A 50 -1.178 -13.855 -2.090 1.00 60.44 H new ATOM 0 HD21 LEU A 50 0.280 -11.158 -2.380 1.00 14.43 H new ATOM 0 HD22 LEU A 50 -1.171 -11.603 -3.310 1.00 14.43 H new ATOM 0 HD23 LEU A 50 -1.158 -10.109 -2.343 1.00 14.43 H new ATOM 756 N ASP A 51 -4.942 -10.759 0.703 1.00 74.32 N ATOM 757 CA ASP A 51 -6.199 -10.825 1.441 1.00 64.33 C ATOM 758 C ASP A 51 -7.159 -9.735 0.977 1.00 11.41 C ATOM 759 O ASP A 51 -6.739 -8.722 0.418 1.00 10.23 O ATOM 760 CB ASP A 51 -5.940 -10.690 2.942 1.00 35.42 C ATOM 761 CG ASP A 51 -6.654 -11.757 3.750 1.00 3.43 C ATOM 762 OD1 ASP A 51 -7.647 -12.319 3.244 1.00 11.31 O ATOM 763 OD2 ASP A 51 -6.219 -12.028 4.889 1.00 20.33 O ATOM 0 H ASP A 51 -4.108 -10.859 1.281 1.00 74.32 H new ATOM 0 HA ASP A 51 -6.657 -11.794 1.245 1.00 64.33 H new ATOM 0 HB2 ASP A 51 -4.868 -10.752 3.130 1.00 35.42 H new ATOM 0 HB3 ASP A 51 -6.266 -9.705 3.277 1.00 35.42 H new ATOM 768 N GLN A 52 -8.449 -9.950 1.212 1.00 33.33 N ATOM 769 CA GLN A 52 -9.469 -8.986 0.817 1.00 40.12 C ATOM 770 C GLN A 52 -10.178 -8.411 2.039 1.00 44.02 C ATOM 771 O GLN A 52 -10.365 -7.199 2.147 1.00 41.02 O ATOM 772 CB GLN A 52 -10.488 -9.643 -0.116 1.00 42.11 C ATOM 773 CG GLN A 52 -10.772 -11.098 0.221 1.00 42.30 C ATOM 774 CD GLN A 52 -12.223 -11.476 -0.001 1.00 11.54 C ATOM 775 OE1 GLN A 52 -12.997 -11.596 0.949 1.00 13.24 O ATOM 776 NE2 GLN A 52 -12.600 -11.665 -1.260 1.00 13.14 N ATOM 0 H GLN A 52 -8.813 -10.783 1.674 1.00 33.33 H new ATOM 0 HA GLN A 52 -8.976 -8.170 0.289 1.00 40.12 H new ATOM 0 HB2 GLN A 52 -11.421 -9.081 -0.075 1.00 42.11 H new ATOM 0 HB3 GLN A 52 -10.123 -9.581 -1.141 1.00 42.11 H new ATOM 0 HG2 GLN A 52 -10.136 -11.739 -0.389 1.00 42.30 H new ATOM 0 HG3 GLN A 52 -10.507 -11.284 1.262 1.00 42.30 H new ATOM 0 HE21 GLN A 52 -11.925 -11.555 -2.017 1.00 13.14 H new ATOM 0 HE22 GLN A 52 -13.565 -11.920 -1.471 1.00 13.14 H new ATOM 785 N ASP A 53 -10.569 -9.288 2.956 1.00 35.13 N ATOM 786 CA ASP A 53 -11.257 -8.868 4.172 1.00 52.44 C ATOM 787 C ASP A 53 -10.293 -8.819 5.352 1.00 3.44 C ATOM 788 O ASP A 53 -10.561 -8.165 6.361 1.00 41.24 O ATOM 789 CB ASP A 53 -12.415 -9.817 4.482 1.00 34.01 C ATOM 790 CG ASP A 53 -13.371 -9.965 3.315 1.00 74.32 C ATOM 791 OD1 ASP A 53 -13.295 -9.144 2.377 1.00 61.12 O ATOM 792 OD2 ASP A 53 -14.195 -10.903 3.339 1.00 74.12 O ATOM 0 H ASP A 53 -10.422 -10.295 2.881 1.00 35.13 H new ATOM 0 HA ASP A 53 -11.653 -7.866 4.008 1.00 52.44 H new ATOM 0 HB2 ASP A 53 -12.017 -10.796 4.748 1.00 34.01 H new ATOM 0 HB3 ASP A 53 -12.961 -9.448 5.350 1.00 34.01 H new ATOM 797 N LYS A 54 -9.169 -9.515 5.221 1.00 20.43 N ATOM 798 CA LYS A 54 -8.163 -9.552 6.276 1.00 33.24 C ATOM 799 C LYS A 54 -8.718 -10.213 7.534 1.00 32.30 C ATOM 800 O LYS A 54 -8.767 -9.599 8.600 1.00 64.22 O ATOM 801 CB LYS A 54 -7.683 -8.136 6.601 1.00 13.13 C ATOM 802 CG LYS A 54 -7.388 -7.296 5.370 1.00 34.24 C ATOM 803 CD LYS A 54 -6.005 -7.589 4.814 1.00 73.43 C ATOM 804 CE LYS A 54 -5.890 -7.167 3.357 1.00 22.11 C ATOM 805 NZ LYS A 54 -5.143 -5.887 3.208 1.00 30.41 N ATOM 0 H LYS A 54 -8.931 -10.062 4.393 1.00 20.43 H new ATOM 0 HA LYS A 54 -7.319 -10.142 5.918 1.00 33.24 H new ATOM 0 HB2 LYS A 54 -8.442 -7.633 7.201 1.00 13.13 H new ATOM 0 HB3 LYS A 54 -6.783 -8.198 7.213 1.00 13.13 H new ATOM 0 HG2 LYS A 54 -8.138 -7.494 4.605 1.00 34.24 H new ATOM 0 HG3 LYS A 54 -7.463 -6.239 5.623 1.00 34.24 H new ATOM 0 HD2 LYS A 54 -5.255 -7.065 5.406 1.00 73.43 H new ATOM 0 HD3 LYS A 54 -5.794 -8.655 4.903 1.00 73.43 H new ATOM 0 HE2 LYS A 54 -5.386 -7.950 2.791 1.00 22.11 H new ATOM 0 HE3 LYS A 54 -6.887 -7.057 2.931 1.00 22.11 H new ATOM 0 HZ1 LYS A 54 -5.514 -5.362 2.390 1.00 30.41 H new ATOM 0 HZ2 LYS A 54 -5.260 -5.315 4.069 1.00 30.41 H new ATOM 0 HZ3 LYS A 54 -4.134 -6.089 3.061 1.00 30.41 H new ATOM 819 N SER A 55 -9.134 -11.469 7.403 1.00 55.23 N ATOM 820 CA SER A 55 -9.688 -12.212 8.528 1.00 20.34 C ATOM 821 C SER A 55 -8.604 -13.027 9.227 1.00 3.12 C ATOM 822 O SER A 55 -8.891 -14.018 9.897 1.00 63.55 O ATOM 823 CB SER A 55 -10.810 -13.137 8.054 1.00 73.24 C ATOM 824 OG SER A 55 -11.790 -13.309 9.063 1.00 74.35 O ATOM 0 H SER A 55 -9.098 -11.993 6.529 1.00 55.23 H new ATOM 0 HA SER A 55 -10.095 -11.494 9.240 1.00 20.34 H new ATOM 0 HB2 SER A 55 -11.274 -12.722 7.159 1.00 73.24 H new ATOM 0 HB3 SER A 55 -10.394 -14.106 7.778 1.00 73.24 H new ATOM 0 HG SER A 55 -12.497 -13.903 8.735 1.00 74.35 H new ATOM 830 N GLY A 56 -7.355 -12.600 9.066 1.00 42.02 N ATOM 831 CA GLY A 56 -6.245 -13.300 9.686 1.00 34.32 C ATOM 832 C GLY A 56 -5.529 -14.223 8.720 1.00 33.12 C ATOM 833 O GLY A 56 -4.306 -14.172 8.593 1.00 23.31 O ATOM 0 H GLY A 56 -7.092 -11.781 8.517 1.00 42.02 H new ATOM 0 HA2 GLY A 56 -5.536 -12.573 10.081 1.00 34.32 H new ATOM 0 HA3 GLY A 56 -6.613 -13.880 10.533 1.00 34.32 H new ATOM 837 N PHE A 57 -6.292 -15.071 8.038 1.00 15.32 N ATOM 838 CA PHE A 57 -5.723 -16.011 7.081 1.00 70.55 C ATOM 839 C PHE A 57 -6.430 -15.909 5.732 1.00 64.31 C ATOM 840 O PHE A 57 -7.492 -15.297 5.621 1.00 51.11 O ATOM 841 CB PHE A 57 -5.825 -17.441 7.616 1.00 72.35 C ATOM 842 CG PHE A 57 -5.009 -17.678 8.854 1.00 13.43 C ATOM 843 CD1 PHE A 57 -5.525 -17.383 10.106 1.00 11.11 C ATOM 844 CD2 PHE A 57 -3.727 -18.195 8.767 1.00 40.10 C ATOM 845 CE1 PHE A 57 -4.776 -17.599 11.247 1.00 10.33 C ATOM 846 CE2 PHE A 57 -2.973 -18.413 9.905 1.00 73.21 C ATOM 847 CZ PHE A 57 -3.499 -18.116 11.147 1.00 51.42 C ATOM 0 H PHE A 57 -7.306 -15.126 8.131 1.00 15.32 H new ATOM 0 HA PHE A 57 -4.672 -15.757 6.941 1.00 70.55 H new ATOM 0 HB2 PHE A 57 -6.870 -17.666 7.831 1.00 72.35 H new ATOM 0 HB3 PHE A 57 -5.502 -18.135 6.840 1.00 72.35 H new ATOM 0 HD1 PHE A 57 -6.523 -16.980 10.191 1.00 11.11 H new ATOM 0 HD2 PHE A 57 -3.311 -18.431 7.798 1.00 40.10 H new ATOM 0 HE1 PHE A 57 -5.189 -17.364 12.217 1.00 10.33 H new ATOM 0 HE2 PHE A 57 -1.974 -18.815 9.823 1.00 73.21 H new ATOM 0 HZ PHE A 57 -2.913 -18.288 12.038 1.00 51.42 H new ATOM 857 N ILE A 58 -5.832 -16.513 4.710 1.00 3.23 N ATOM 858 CA ILE A 58 -6.403 -16.490 3.370 1.00 73.53 C ATOM 859 C ILE A 58 -6.751 -17.898 2.897 1.00 42.13 C ATOM 860 O ILE A 58 -5.866 -18.695 2.588 1.00 61.13 O ATOM 861 CB ILE A 58 -5.439 -15.844 2.357 1.00 32.33 C ATOM 862 CG1 ILE A 58 -5.479 -14.320 2.484 1.00 41.13 C ATOM 863 CG2 ILE A 58 -5.793 -16.273 0.941 1.00 23.21 C ATOM 864 CD1 ILE A 58 -4.435 -13.617 1.645 1.00 5.32 C ATOM 0 H ILE A 58 -4.952 -17.024 4.785 1.00 3.23 H new ATOM 0 HA ILE A 58 -7.313 -15.892 3.425 1.00 73.53 H new ATOM 0 HB ILE A 58 -4.426 -16.182 2.575 1.00 32.33 H new ATOM 0 HG12 ILE A 58 -6.467 -13.965 2.192 1.00 41.13 H new ATOM 0 HG13 ILE A 58 -5.338 -14.047 3.530 1.00 41.13 H new ATOM 0 HG21 ILE A 58 -5.103 -15.808 0.237 1.00 23.21 H new ATOM 0 HG22 ILE A 58 -5.719 -17.357 0.860 1.00 23.21 H new ATOM 0 HG23 ILE A 58 -6.812 -15.961 0.710 1.00 23.21 H new ATOM 0 HD11 ILE A 58 -4.522 -12.539 1.784 1.00 5.32 H new ATOM 0 HD12 ILE A 58 -3.441 -13.944 1.952 1.00 5.32 H new ATOM 0 HD13 ILE A 58 -4.589 -13.861 0.594 1.00 5.32 H new ATOM 876 N GLU A 59 -8.045 -18.195 2.841 1.00 34.04 N ATOM 877 CA GLU A 59 -8.509 -19.507 2.405 1.00 54.43 C ATOM 878 C GLU A 59 -8.487 -19.612 0.882 1.00 34.45 C ATOM 879 O GLU A 59 -8.207 -18.637 0.187 1.00 63.12 O ATOM 880 CB GLU A 59 -9.924 -19.771 2.925 1.00 41.02 C ATOM 881 CG GLU A 59 -10.065 -19.584 4.426 1.00 12.01 C ATOM 882 CD GLU A 59 -11.510 -19.439 4.862 1.00 12.14 C ATOM 883 OE1 GLU A 59 -12.064 -18.328 4.720 1.00 63.54 O ATOM 884 OE2 GLU A 59 -12.087 -20.435 5.347 1.00 51.33 O ATOM 0 H GLU A 59 -8.790 -17.546 3.092 1.00 34.04 H new ATOM 0 HA GLU A 59 -7.834 -20.258 2.814 1.00 54.43 H new ATOM 0 HB2 GLU A 59 -10.619 -19.103 2.417 1.00 41.02 H new ATOM 0 HB3 GLU A 59 -10.213 -20.789 2.665 1.00 41.02 H new ATOM 0 HG2 GLU A 59 -9.619 -20.436 4.938 1.00 12.01 H new ATOM 0 HG3 GLU A 59 -9.506 -18.700 4.732 1.00 12.01 H new ATOM 891 N GLU A 60 -8.785 -20.804 0.374 1.00 41.05 N ATOM 892 CA GLU A 60 -8.798 -21.037 -1.066 1.00 22.53 C ATOM 893 C GLU A 60 -9.626 -19.974 -1.782 1.00 62.51 C ATOM 894 O GLU A 60 -9.199 -19.419 -2.794 1.00 34.30 O ATOM 895 CB GLU A 60 -9.356 -22.428 -1.374 1.00 73.22 C ATOM 896 CG GLU A 60 -9.281 -22.802 -2.845 1.00 50.11 C ATOM 897 CD GLU A 60 -10.584 -22.550 -3.578 1.00 52.14 C ATOM 898 OE1 GLU A 60 -11.625 -23.079 -3.136 1.00 32.33 O ATOM 899 OE2 GLU A 60 -10.563 -21.824 -4.594 1.00 72.33 O ATOM 0 H GLU A 60 -9.020 -21.622 0.937 1.00 41.05 H new ATOM 0 HA GLU A 60 -7.772 -20.977 -1.428 1.00 22.53 H new ATOM 0 HB2 GLU A 60 -8.807 -23.168 -0.791 1.00 73.22 H new ATOM 0 HB3 GLU A 60 -10.395 -22.474 -1.049 1.00 73.22 H new ATOM 0 HG2 GLU A 60 -8.484 -22.231 -3.321 1.00 50.11 H new ATOM 0 HG3 GLU A 60 -9.016 -23.855 -2.935 1.00 50.11 H new ATOM 906 N GLU A 61 -10.812 -19.698 -1.249 1.00 3.21 N ATOM 907 CA GLU A 61 -11.700 -18.703 -1.838 1.00 40.21 C ATOM 908 C GLU A 61 -10.954 -17.399 -2.107 1.00 13.34 C ATOM 909 O GLU A 61 -11.050 -16.830 -3.193 1.00 54.14 O ATOM 910 CB GLU A 61 -12.892 -18.441 -0.915 1.00 51.34 C ATOM 911 CG GLU A 61 -13.733 -19.676 -0.642 1.00 30.25 C ATOM 912 CD GLU A 61 -15.183 -19.342 -0.351 1.00 32.24 C ATOM 913 OE1 GLU A 61 -15.479 -18.157 -0.093 1.00 14.05 O ATOM 914 OE2 GLU A 61 -16.022 -20.267 -0.381 1.00 71.05 O ATOM 0 H GLU A 61 -11.180 -20.149 -0.411 1.00 3.21 H new ATOM 0 HA GLU A 61 -12.064 -19.095 -2.788 1.00 40.21 H new ATOM 0 HB2 GLU A 61 -12.527 -18.044 0.032 1.00 51.34 H new ATOM 0 HB3 GLU A 61 -13.524 -17.673 -1.361 1.00 51.34 H new ATOM 0 HG2 GLU A 61 -13.683 -20.342 -1.503 1.00 30.25 H new ATOM 0 HG3 GLU A 61 -13.312 -20.218 0.205 1.00 30.25 H new ATOM 921 N GLU A 62 -10.212 -16.932 -1.107 1.00 50.24 N ATOM 922 CA GLU A 62 -9.451 -15.694 -1.235 1.00 73.44 C ATOM 923 C GLU A 62 -8.154 -15.930 -2.004 1.00 74.01 C ATOM 924 O GLU A 62 -7.537 -14.990 -2.507 1.00 15.23 O ATOM 925 CB GLU A 62 -9.140 -15.116 0.147 1.00 40.25 C ATOM 926 CG GLU A 62 -10.222 -14.189 0.676 1.00 24.43 C ATOM 927 CD GLU A 62 -11.189 -14.894 1.608 1.00 65.32 C ATOM 928 OE1 GLU A 62 -10.731 -15.724 2.422 1.00 54.44 O ATOM 929 OE2 GLU A 62 -12.403 -14.616 1.522 1.00 10.35 O ATOM 0 H GLU A 62 -10.122 -17.391 -0.201 1.00 50.24 H new ATOM 0 HA GLU A 62 -10.058 -14.980 -1.791 1.00 73.44 H new ATOM 0 HB2 GLU A 62 -8.999 -15.936 0.851 1.00 40.25 H new ATOM 0 HB3 GLU A 62 -8.197 -14.571 0.100 1.00 40.25 H new ATOM 0 HG2 GLU A 62 -9.756 -13.357 1.203 1.00 24.43 H new ATOM 0 HG3 GLU A 62 -10.775 -13.766 -0.163 1.00 24.43 H new ATOM 936 N LEU A 63 -7.746 -17.191 -2.091 1.00 71.20 N ATOM 937 CA LEU A 63 -6.522 -17.552 -2.798 1.00 31.11 C ATOM 938 C LEU A 63 -6.720 -17.465 -4.308 1.00 25.41 C ATOM 939 O LEU A 63 -5.765 -17.261 -5.057 1.00 2.11 O ATOM 940 CB LEU A 63 -6.083 -18.965 -2.410 1.00 34.23 C ATOM 941 CG LEU A 63 -4.575 -19.213 -2.373 1.00 30.35 C ATOM 942 CD1 LEU A 63 -3.931 -18.417 -1.249 1.00 4.14 C ATOM 943 CD2 LEU A 63 -4.283 -20.698 -2.212 1.00 64.12 C ATOM 0 H LEU A 63 -8.245 -17.981 -1.681 1.00 71.20 H new ATOM 0 HA LEU A 63 -5.744 -16.845 -2.511 1.00 31.11 H new ATOM 0 HB2 LEU A 63 -6.493 -19.194 -1.426 1.00 34.23 H new ATOM 0 HB3 LEU A 63 -6.529 -19.668 -3.113 1.00 34.23 H new ATOM 0 HG LEU A 63 -4.148 -18.879 -3.318 1.00 30.35 H new ATOM 0 HD11 LEU A 63 -2.858 -18.606 -1.238 1.00 4.14 H new ATOM 0 HD12 LEU A 63 -4.111 -17.354 -1.407 1.00 4.14 H new ATOM 0 HD13 LEU A 63 -4.363 -18.720 -0.295 1.00 4.14 H new ATOM 0 HD21 LEU A 63 -3.205 -20.856 -2.188 1.00 64.12 H new ATOM 0 HD22 LEU A 63 -4.724 -21.057 -1.282 1.00 64.12 H new ATOM 0 HD23 LEU A 63 -4.711 -21.246 -3.051 1.00 64.12 H new ATOM 955 N GLN A 64 -7.965 -17.620 -4.747 1.00 25.44 N ATOM 956 CA GLN A 64 -8.287 -17.558 -6.167 1.00 43.13 C ATOM 957 C GLN A 64 -8.109 -16.141 -6.704 1.00 35.41 C ATOM 958 O GLN A 64 -8.258 -15.897 -7.902 1.00 42.10 O ATOM 959 CB GLN A 64 -9.721 -18.031 -6.408 1.00 32.42 C ATOM 960 CG GLN A 64 -10.770 -16.974 -6.102 1.00 71.33 C ATOM 961 CD GLN A 64 -12.097 -17.574 -5.679 1.00 4.40 C ATOM 962 OE1 GLN A 64 -12.205 -18.781 -5.464 1.00 31.10 O ATOM 963 NE2 GLN A 64 -13.115 -16.731 -5.557 1.00 13.54 N ATOM 0 H GLN A 64 -8.767 -17.789 -4.140 1.00 25.44 H new ATOM 0 HA GLN A 64 -7.601 -18.217 -6.698 1.00 43.13 H new ATOM 0 HB2 GLN A 64 -9.822 -18.341 -7.448 1.00 32.42 H new ATOM 0 HB3 GLN A 64 -9.913 -18.910 -5.793 1.00 32.42 H new ATOM 0 HG2 GLN A 64 -10.402 -16.321 -5.311 1.00 71.33 H new ATOM 0 HG3 GLN A 64 -10.922 -16.352 -6.984 1.00 71.33 H new ATOM 0 HE21 GLN A 64 -12.980 -15.738 -5.745 1.00 13.54 H new ATOM 0 HE22 GLN A 64 -14.032 -17.077 -5.275 1.00 13.54 H new ATOM 972 N LEU A 65 -7.792 -15.211 -5.810 1.00 62.14 N ATOM 973 CA LEU A 65 -7.594 -13.818 -6.194 1.00 14.41 C ATOM 974 C LEU A 65 -6.110 -13.472 -6.247 1.00 24.41 C ATOM 975 O LEU A 65 -5.733 -12.300 -6.229 1.00 61.43 O ATOM 976 CB LEU A 65 -8.310 -12.891 -5.210 1.00 13.13 C ATOM 977 CG LEU A 65 -9.629 -13.411 -4.636 1.00 3.03 C ATOM 978 CD1 LEU A 65 -10.094 -12.531 -3.486 1.00 32.32 C ATOM 979 CD2 LEU A 65 -10.693 -13.480 -5.721 1.00 43.15 C ATOM 0 H LEU A 65 -7.667 -15.396 -4.815 1.00 62.14 H new ATOM 0 HA LEU A 65 -8.016 -13.678 -7.189 1.00 14.41 H new ATOM 0 HB2 LEU A 65 -7.634 -12.682 -4.381 1.00 13.13 H new ATOM 0 HB3 LEU A 65 -8.504 -11.942 -5.711 1.00 13.13 H new ATOM 0 HG LEU A 65 -9.464 -14.418 -4.253 1.00 3.03 H new ATOM 0 HD11 LEU A 65 -11.034 -12.916 -3.090 1.00 32.32 H new ATOM 0 HD12 LEU A 65 -9.340 -12.533 -2.698 1.00 32.32 H new ATOM 0 HD13 LEU A 65 -10.242 -11.512 -3.844 1.00 32.32 H new ATOM 0 HD21 LEU A 65 -11.624 -13.852 -5.294 1.00 43.15 H new ATOM 0 HD22 LEU A 65 -10.856 -12.485 -6.135 1.00 43.15 H new ATOM 0 HD23 LEU A 65 -10.362 -14.153 -6.512 1.00 43.15 H new ATOM 991 N PHE A 66 -5.270 -14.501 -6.314 1.00 15.31 N ATOM 992 CA PHE A 66 -3.826 -14.306 -6.371 1.00 73.40 C ATOM 993 C PHE A 66 -3.422 -13.611 -7.667 1.00 40.35 C ATOM 994 O PHE A 66 -2.307 -13.101 -7.791 1.00 33.24 O ATOM 995 CB PHE A 66 -3.105 -15.650 -6.254 1.00 24.53 C ATOM 996 CG PHE A 66 -1.614 -15.546 -6.407 1.00 11.15 C ATOM 997 CD1 PHE A 66 -0.808 -15.292 -5.309 1.00 21.44 C ATOM 998 CD2 PHE A 66 -1.019 -15.700 -7.648 1.00 72.44 C ATOM 999 CE1 PHE A 66 0.564 -15.196 -5.446 1.00 2.13 C ATOM 1000 CE2 PHE A 66 0.352 -15.605 -7.791 1.00 61.45 C ATOM 1001 CZ PHE A 66 1.145 -15.352 -6.689 1.00 53.41 C ATOM 0 H PHE A 66 -5.565 -15.477 -6.330 1.00 15.31 H new ATOM 0 HA PHE A 66 -3.536 -13.671 -5.534 1.00 73.40 H new ATOM 0 HB2 PHE A 66 -3.333 -16.092 -5.284 1.00 24.53 H new ATOM 0 HB3 PHE A 66 -3.494 -16.329 -7.013 1.00 24.53 H new ATOM 0 HD1 PHE A 66 -1.257 -15.168 -4.335 1.00 21.44 H new ATOM 0 HD2 PHE A 66 -1.634 -15.897 -8.514 1.00 72.44 H new ATOM 0 HE1 PHE A 66 1.181 -14.999 -4.582 1.00 2.13 H new ATOM 0 HE2 PHE A 66 0.803 -15.729 -8.764 1.00 61.45 H new ATOM 0 HZ PHE A 66 2.217 -15.276 -6.799 1.00 53.41 H new ATOM 1011 N LEU A 67 -4.335 -13.594 -8.632 1.00 50.32 N ATOM 1012 CA LEU A 67 -4.075 -12.961 -9.921 1.00 21.32 C ATOM 1013 C LEU A 67 -4.579 -11.522 -9.933 1.00 12.25 C ATOM 1014 O LEU A 67 -4.492 -10.830 -10.947 1.00 73.03 O ATOM 1015 CB LEU A 67 -4.741 -13.756 -11.045 1.00 71.31 C ATOM 1016 CG LEU A 67 -3.947 -14.945 -11.589 1.00 0.44 C ATOM 1017 CD1 LEU A 67 -4.791 -15.749 -12.565 1.00 11.01 C ATOM 1018 CD2 LEU A 67 -2.665 -14.469 -12.256 1.00 4.15 C ATOM 0 H LEU A 67 -5.262 -14.011 -8.547 1.00 50.32 H new ATOM 0 HA LEU A 67 -2.997 -12.950 -10.081 1.00 21.32 H new ATOM 0 HB2 LEU A 67 -5.702 -14.122 -10.684 1.00 71.31 H new ATOM 0 HB3 LEU A 67 -4.949 -13.075 -11.871 1.00 71.31 H new ATOM 0 HG LEU A 67 -3.680 -15.592 -10.753 1.00 0.44 H new ATOM 0 HD11 LEU A 67 -4.209 -16.591 -12.941 1.00 11.01 H new ATOM 0 HD12 LEU A 67 -5.680 -16.121 -12.056 1.00 11.01 H new ATOM 0 HD13 LEU A 67 -5.089 -15.113 -13.398 1.00 11.01 H new ATOM 0 HD21 LEU A 67 -2.113 -15.328 -12.637 1.00 4.15 H new ATOM 0 HD22 LEU A 67 -2.911 -13.800 -13.081 1.00 4.15 H new ATOM 0 HD23 LEU A 67 -2.052 -13.937 -11.528 1.00 4.15 H new ATOM 1030 N LYS A 68 -5.105 -11.075 -8.797 1.00 21.31 N ATOM 1031 CA LYS A 68 -5.620 -9.717 -8.674 1.00 13.12 C ATOM 1032 C LYS A 68 -4.634 -8.827 -7.924 1.00 53.31 C ATOM 1033 O LYS A 68 -4.713 -7.601 -7.994 1.00 71.13 O ATOM 1034 CB LYS A 68 -6.969 -9.725 -7.950 1.00 42.43 C ATOM 1035 CG LYS A 68 -7.972 -10.699 -8.543 1.00 42.15 C ATOM 1036 CD LYS A 68 -8.596 -10.151 -9.816 1.00 1.11 C ATOM 1037 CE LYS A 68 -10.091 -9.926 -9.651 1.00 51.31 C ATOM 1038 NZ LYS A 68 -10.642 -9.053 -10.724 1.00 51.43 N ATOM 0 H LYS A 68 -5.186 -11.635 -7.948 1.00 21.31 H new ATOM 0 HA LYS A 68 -5.755 -9.314 -9.678 1.00 13.12 H new ATOM 0 HB2 LYS A 68 -6.808 -9.976 -6.902 1.00 42.43 H new ATOM 0 HB3 LYS A 68 -7.392 -8.721 -7.976 1.00 42.43 H new ATOM 0 HG2 LYS A 68 -7.477 -11.646 -8.758 1.00 42.15 H new ATOM 0 HG3 LYS A 68 -8.755 -10.906 -7.813 1.00 42.15 H new ATOM 0 HD2 LYS A 68 -8.113 -9.211 -10.084 1.00 1.11 H new ATOM 0 HD3 LYS A 68 -8.420 -10.846 -10.637 1.00 1.11 H new ATOM 0 HE2 LYS A 68 -10.606 -10.886 -9.664 1.00 51.31 H new ATOM 0 HE3 LYS A 68 -10.285 -9.473 -8.679 1.00 51.31 H new ATOM 0 HZ1 LYS A 68 -11.663 -8.924 -10.576 1.00 51.43 H new ATOM 0 HZ2 LYS A 68 -10.168 -8.128 -10.696 1.00 51.43 H new ATOM 0 HZ3 LYS A 68 -10.480 -9.497 -11.650 1.00 51.43 H new ATOM 1052 N ASN A 69 -3.706 -9.452 -7.208 1.00 64.21 N ATOM 1053 CA ASN A 69 -2.703 -8.716 -6.446 1.00 54.11 C ATOM 1054 C ASN A 69 -1.469 -8.438 -7.298 1.00 4.41 C ATOM 1055 O ASN A 69 -0.659 -7.569 -6.972 1.00 55.33 O ATOM 1056 CB ASN A 69 -2.307 -9.500 -5.194 1.00 23.51 C ATOM 1057 CG ASN A 69 -1.065 -8.939 -4.529 1.00 11.53 C ATOM 1058 OD1 ASN A 69 -1.233 -7.850 -3.786 1.00 14.24 O flip ATOM 1059 ND2 ASN A 69 0.032 -9.477 -4.681 1.00 60.43 N flip ATOM 0 H ASN A 69 -3.627 -10.467 -7.139 1.00 64.21 H new ATOM 0 HA ASN A 69 -3.138 -7.762 -6.146 1.00 54.11 H new ATOM 0 HB2 ASN A 69 -3.134 -9.486 -4.484 1.00 23.51 H new ATOM 0 HB3 ASN A 69 -2.133 -10.542 -5.461 1.00 23.51 H new ATOM 0 HD21 ASN A 69 0.114 -10.312 -5.261 1.00 60.43 H new ATOM 0 HD22 ASN A 69 0.858 -9.087 -4.227 1.00 60.43 H new ATOM 1066 N PHE A 70 -1.331 -9.181 -8.391 1.00 2.11 N ATOM 1067 CA PHE A 70 -0.195 -9.015 -9.290 1.00 3.10 C ATOM 1068 C PHE A 70 -0.637 -8.409 -10.619 1.00 22.21 C ATOM 1069 O PHE A 70 -0.037 -7.451 -11.107 1.00 32.32 O ATOM 1070 CB PHE A 70 0.491 -10.361 -9.533 1.00 42.12 C ATOM 1071 CG PHE A 70 1.121 -10.944 -8.301 1.00 20.14 C ATOM 1072 CD1 PHE A 70 0.336 -11.479 -7.292 1.00 74.44 C ATOM 1073 CD2 PHE A 70 2.498 -10.957 -8.150 1.00 63.54 C ATOM 1074 CE1 PHE A 70 0.913 -12.016 -6.157 1.00 13.10 C ATOM 1075 CE2 PHE A 70 3.081 -11.493 -7.017 1.00 61.13 C ATOM 1076 CZ PHE A 70 2.287 -12.024 -6.020 1.00 1.12 C ATOM 0 H PHE A 70 -1.992 -9.904 -8.676 1.00 2.11 H new ATOM 0 HA PHE A 70 0.513 -8.334 -8.818 1.00 3.10 H new ATOM 0 HB2 PHE A 70 -0.241 -11.067 -9.926 1.00 42.12 H new ATOM 0 HB3 PHE A 70 1.257 -10.236 -10.299 1.00 42.12 H new ATOM 0 HD1 PHE A 70 -0.739 -11.476 -7.394 1.00 74.44 H new ATOM 0 HD2 PHE A 70 3.124 -10.543 -8.927 1.00 63.54 H new ATOM 0 HE1 PHE A 70 0.290 -12.429 -5.378 1.00 13.10 H new ATOM 0 HE2 PHE A 70 4.156 -11.496 -6.912 1.00 61.13 H new ATOM 0 HZ PHE A 70 2.740 -12.445 -5.134 1.00 1.12 H new ATOM 1086 N SER A 71 -1.690 -8.976 -11.199 1.00 41.44 N ATOM 1087 CA SER A 71 -2.211 -8.495 -12.474 1.00 24.21 C ATOM 1088 C SER A 71 -3.596 -7.880 -12.298 1.00 5.13 C ATOM 1089 O SER A 71 -4.357 -8.279 -11.417 1.00 21.41 O ATOM 1090 CB SER A 71 -2.274 -9.640 -13.487 1.00 43.31 C ATOM 1091 OG SER A 71 -3.469 -10.386 -13.340 1.00 14.12 O ATOM 0 H SER A 71 -2.199 -9.768 -10.807 1.00 41.44 H new ATOM 0 HA SER A 71 -1.536 -7.725 -12.847 1.00 24.21 H new ATOM 0 HB2 SER A 71 -2.215 -9.238 -14.499 1.00 43.31 H new ATOM 0 HB3 SER A 71 -1.414 -10.296 -13.353 1.00 43.31 H new ATOM 0 HG SER A 71 -3.548 -10.697 -12.414 1.00 14.12 H new ATOM 1097 N SER A 72 -3.915 -6.905 -13.143 1.00 3.44 N ATOM 1098 CA SER A 72 -5.206 -6.230 -13.079 1.00 30.30 C ATOM 1099 C SER A 72 -6.075 -6.607 -14.275 1.00 40.32 C ATOM 1100 O SER A 72 -7.167 -6.068 -14.458 1.00 5.24 O ATOM 1101 CB SER A 72 -5.011 -4.714 -13.033 1.00 14.52 C ATOM 1102 OG SER A 72 -4.108 -4.284 -14.037 1.00 32.41 O ATOM 0 H SER A 72 -3.297 -6.565 -13.880 1.00 3.44 H new ATOM 0 HA SER A 72 -5.712 -6.551 -12.169 1.00 30.30 H new ATOM 0 HB2 SER A 72 -5.972 -4.217 -13.167 1.00 14.52 H new ATOM 0 HB3 SER A 72 -4.635 -4.422 -12.052 1.00 14.52 H new ATOM 0 HG SER A 72 -4.002 -3.311 -13.987 1.00 32.41 H new ATOM 1108 N SER A 73 -5.582 -7.536 -15.088 1.00 2.13 N ATOM 1109 CA SER A 73 -6.310 -7.983 -16.269 1.00 53.12 C ATOM 1110 C SER A 73 -6.981 -9.330 -16.017 1.00 3.13 C ATOM 1111 O SER A 73 -8.097 -9.575 -16.473 1.00 63.43 O ATOM 1112 CB SER A 73 -5.365 -8.087 -17.468 1.00 33.32 C ATOM 1113 OG SER A 73 -6.086 -8.315 -18.667 1.00 24.43 O ATOM 0 H SER A 73 -4.681 -7.994 -14.950 1.00 2.13 H new ATOM 0 HA SER A 73 -7.084 -7.247 -16.488 1.00 53.12 H new ATOM 0 HB2 SER A 73 -4.784 -7.169 -17.558 1.00 33.32 H new ATOM 0 HB3 SER A 73 -4.655 -8.899 -17.307 1.00 33.32 H new ATOM 0 HG SER A 73 -5.460 -8.376 -19.419 1.00 24.43 H new ATOM 1119 N ALA A 74 -6.290 -10.199 -15.286 1.00 75.51 N ATOM 1120 CA ALA A 74 -6.818 -11.521 -14.971 1.00 15.15 C ATOM 1121 C ALA A 74 -8.080 -11.419 -14.120 1.00 73.33 C ATOM 1122 O ALA A 74 -8.519 -10.323 -13.773 1.00 14.21 O ATOM 1123 CB ALA A 74 -5.764 -12.354 -14.256 1.00 52.24 C ATOM 0 H ALA A 74 -5.364 -10.011 -14.901 1.00 75.51 H new ATOM 0 HA ALA A 74 -7.081 -12.013 -15.908 1.00 15.15 H new ATOM 0 HB1 ALA A 74 -6.172 -13.338 -14.027 1.00 52.24 H new ATOM 0 HB2 ALA A 74 -4.890 -12.464 -14.898 1.00 52.24 H new ATOM 0 HB3 ALA A 74 -5.474 -11.857 -13.330 1.00 52.24 H new ATOM 1129 N ARG A 75 -8.659 -12.569 -13.789 1.00 52.20 N ATOM 1130 CA ARG A 75 -9.872 -12.608 -12.981 1.00 30.31 C ATOM 1131 C ARG A 75 -9.632 -13.364 -11.677 1.00 72.22 C ATOM 1132 O ARG A 75 -9.668 -12.781 -10.594 1.00 35.15 O ATOM 1133 CB ARG A 75 -11.010 -13.267 -13.763 1.00 11.12 C ATOM 1134 CG ARG A 75 -10.533 -14.188 -14.873 1.00 64.42 C ATOM 1135 CD ARG A 75 -11.587 -15.225 -15.229 1.00 22.01 C ATOM 1136 NE ARG A 75 -12.861 -14.609 -15.587 1.00 54.35 N ATOM 1137 CZ ARG A 75 -13.959 -15.301 -15.871 1.00 22.53 C ATOM 1138 NH1 ARG A 75 -13.937 -16.627 -15.837 1.00 13.32 N ATOM 1139 NH2 ARG A 75 -15.081 -14.669 -16.188 1.00 41.52 N ATOM 0 H ARG A 75 -8.308 -13.485 -14.068 1.00 52.20 H new ATOM 0 HA ARG A 75 -10.152 -11.582 -12.740 1.00 30.31 H new ATOM 0 HB2 ARG A 75 -11.632 -13.836 -13.072 1.00 11.12 H new ATOM 0 HB3 ARG A 75 -11.641 -12.490 -14.194 1.00 11.12 H new ATOM 0 HG2 ARG A 75 -10.288 -13.598 -15.756 1.00 64.42 H new ATOM 0 HG3 ARG A 75 -9.617 -14.691 -14.562 1.00 64.42 H new ATOM 0 HD2 ARG A 75 -11.231 -15.832 -16.061 1.00 22.01 H new ATOM 0 HD3 ARG A 75 -11.734 -15.897 -14.384 1.00 22.01 H new ATOM 0 HE ARG A 75 -12.911 -13.591 -15.621 1.00 54.35 H new ATOM 0 HH11 ARG A 75 -13.076 -17.117 -15.593 1.00 13.32 H new ATOM 0 HH12 ARG A 75 -14.781 -17.157 -16.055 1.00 13.32 H new ATOM 0 HH21 ARG A 75 -15.102 -13.650 -16.214 1.00 41.52 H new ATOM 0 HH22 ARG A 75 -15.923 -15.202 -16.406 1.00 41.52 H new ATOM 1153 N VAL A 76 -9.388 -14.666 -11.790 1.00 43.12 N ATOM 1154 CA VAL A 76 -9.141 -15.502 -10.621 1.00 54.22 C ATOM 1155 C VAL A 76 -8.383 -16.769 -11.001 1.00 52.44 C ATOM 1156 O VAL A 76 -8.199 -17.065 -12.183 1.00 15.51 O ATOM 1157 CB VAL A 76 -10.458 -15.894 -9.924 1.00 62.14 C ATOM 1158 CG1 VAL A 76 -10.948 -14.763 -9.033 1.00 71.13 C ATOM 1159 CG2 VAL A 76 -11.514 -16.269 -10.953 1.00 64.23 C ATOM 0 H VAL A 76 -9.356 -15.165 -12.679 1.00 43.12 H new ATOM 0 HA VAL A 76 -8.535 -14.913 -9.933 1.00 54.22 H new ATOM 0 HB VAL A 76 -10.271 -16.764 -9.295 1.00 62.14 H new ATOM 0 HG11 VAL A 76 -11.879 -15.058 -8.549 1.00 71.13 H new ATOM 0 HG12 VAL A 76 -10.197 -14.547 -8.273 1.00 71.13 H new ATOM 0 HG13 VAL A 76 -11.120 -13.872 -9.637 1.00 71.13 H new ATOM 0 HG21 VAL A 76 -12.438 -16.543 -10.443 1.00 64.23 H new ATOM 0 HG22 VAL A 76 -11.700 -15.419 -11.609 1.00 64.23 H new ATOM 0 HG23 VAL A 76 -11.162 -17.114 -11.545 1.00 64.23 H new ATOM 1169 N LEU A 77 -7.945 -17.514 -9.993 1.00 31.10 N ATOM 1170 CA LEU A 77 -7.206 -18.751 -10.221 1.00 34.32 C ATOM 1171 C LEU A 77 -8.130 -19.850 -10.736 1.00 72.13 C ATOM 1172 O LEU A 77 -9.354 -19.727 -10.676 1.00 71.00 O ATOM 1173 CB LEU A 77 -6.525 -19.207 -8.929 1.00 42.42 C ATOM 1174 CG LEU A 77 -5.578 -18.198 -8.278 1.00 53.51 C ATOM 1175 CD1 LEU A 77 -4.677 -18.887 -7.266 1.00 33.25 C ATOM 1176 CD2 LEU A 77 -4.748 -17.486 -9.336 1.00 42.30 C ATOM 0 H LEU A 77 -8.088 -17.284 -9.010 1.00 31.10 H new ATOM 0 HA LEU A 77 -6.445 -18.557 -10.977 1.00 34.32 H new ATOM 0 HB2 LEU A 77 -7.298 -19.468 -8.207 1.00 42.42 H new ATOM 0 HB3 LEU A 77 -5.965 -20.118 -9.139 1.00 42.42 H new ATOM 0 HG LEU A 77 -6.177 -17.454 -7.753 1.00 53.51 H new ATOM 0 HD11 LEU A 77 -4.010 -18.153 -6.813 1.00 33.25 H new ATOM 0 HD12 LEU A 77 -5.288 -19.349 -6.491 1.00 33.25 H new ATOM 0 HD13 LEU A 77 -4.086 -19.653 -7.767 1.00 33.25 H new ATOM 0 HD21 LEU A 77 -4.080 -16.772 -8.855 1.00 42.30 H new ATOM 0 HD22 LEU A 77 -4.159 -18.217 -9.890 1.00 42.30 H new ATOM 0 HD23 LEU A 77 -5.409 -16.958 -10.023 1.00 42.30 H new ATOM 1188 N THR A 78 -7.536 -20.927 -11.242 1.00 13.21 N ATOM 1189 CA THR A 78 -8.305 -22.048 -11.767 1.00 31.12 C ATOM 1190 C THR A 78 -7.940 -23.346 -11.056 1.00 31.05 C ATOM 1191 O THR A 78 -7.253 -23.333 -10.034 1.00 71.22 O ATOM 1192 CB THR A 78 -8.079 -22.224 -13.280 1.00 74.53 C ATOM 1193 OG1 THR A 78 -9.088 -23.080 -13.830 1.00 25.45 O ATOM 1194 CG2 THR A 78 -6.703 -22.811 -13.558 1.00 13.45 C ATOM 0 H THR A 78 -6.525 -21.046 -11.299 1.00 13.21 H new ATOM 0 HA THR A 78 -9.356 -21.822 -11.588 1.00 31.12 H new ATOM 0 HB THR A 78 -8.139 -21.242 -13.750 1.00 74.53 H new ATOM 0 HG1 THR A 78 -8.938 -23.186 -14.793 1.00 25.45 H new ATOM 0 HG21 THR A 78 -6.567 -22.926 -14.633 1.00 13.45 H new ATOM 0 HG22 THR A 78 -5.936 -22.143 -13.165 1.00 13.45 H new ATOM 0 HG23 THR A 78 -6.619 -23.785 -13.076 1.00 13.45 H new ATOM 1202 N SER A 79 -8.404 -24.466 -11.602 1.00 44.50 N ATOM 1203 CA SER A 79 -8.128 -25.773 -11.017 1.00 50.42 C ATOM 1204 C SER A 79 -6.692 -26.204 -11.302 1.00 55.52 C ATOM 1205 O SER A 79 -6.455 -27.244 -11.915 1.00 52.34 O ATOM 1206 CB SER A 79 -9.104 -26.816 -11.565 1.00 1.21 C ATOM 1207 OG SER A 79 -8.880 -27.049 -12.945 1.00 12.43 O ATOM 0 H SER A 79 -8.973 -24.494 -12.448 1.00 44.50 H new ATOM 0 HA SER A 79 -8.258 -25.696 -9.938 1.00 50.42 H new ATOM 0 HB2 SER A 79 -8.992 -27.749 -11.013 1.00 1.21 H new ATOM 0 HB3 SER A 79 -10.128 -26.476 -11.412 1.00 1.21 H new ATOM 0 HG SER A 79 -7.952 -27.331 -13.083 1.00 12.43 H new ATOM 1213 N ALA A 80 -5.738 -25.395 -10.852 1.00 74.21 N ATOM 1214 CA ALA A 80 -4.326 -25.693 -11.056 1.00 51.42 C ATOM 1215 C ALA A 80 -3.443 -24.619 -10.430 1.00 1.21 C ATOM 1216 O ALA A 80 -2.386 -24.918 -9.876 1.00 1.15 O ATOM 1217 CB ALA A 80 -4.024 -25.827 -12.541 1.00 53.24 C ATOM 0 H ALA A 80 -5.918 -24.529 -10.344 1.00 74.21 H new ATOM 0 HA ALA A 80 -4.105 -26.641 -10.565 1.00 51.42 H new ATOM 0 HB1 ALA A 80 -2.966 -26.050 -12.678 1.00 53.24 H new ATOM 0 HB2 ALA A 80 -4.622 -26.635 -12.963 1.00 53.24 H new ATOM 0 HB3 ALA A 80 -4.267 -24.893 -13.047 1.00 53.24 H new ATOM 1223 N GLU A 81 -3.883 -23.368 -10.523 1.00 55.02 N ATOM 1224 CA GLU A 81 -3.131 -22.250 -9.966 1.00 63.15 C ATOM 1225 C GLU A 81 -3.338 -22.152 -8.458 1.00 15.21 C ATOM 1226 O GLU A 81 -2.381 -22.023 -7.694 1.00 60.41 O ATOM 1227 CB GLU A 81 -3.550 -20.940 -10.636 1.00 41.15 C ATOM 1228 CG GLU A 81 -3.239 -20.890 -12.123 1.00 10.31 C ATOM 1229 CD GLU A 81 -2.995 -19.478 -12.621 1.00 21.35 C ATOM 1230 OE1 GLU A 81 -2.165 -18.770 -12.012 1.00 34.54 O ATOM 1231 OE2 GLU A 81 -3.633 -19.082 -13.618 1.00 2.51 O ATOM 0 H GLU A 81 -4.756 -23.104 -10.979 1.00 55.02 H new ATOM 0 HA GLU A 81 -2.073 -22.426 -10.159 1.00 63.15 H new ATOM 0 HB2 GLU A 81 -4.621 -20.794 -10.492 1.00 41.15 H new ATOM 0 HB3 GLU A 81 -3.046 -20.111 -10.140 1.00 41.15 H new ATOM 0 HG2 GLU A 81 -2.359 -21.500 -12.327 1.00 10.31 H new ATOM 0 HG3 GLU A 81 -4.068 -21.329 -12.679 1.00 10.31 H new ATOM 1238 N THR A 82 -4.597 -22.213 -8.035 1.00 13.45 N ATOM 1239 CA THR A 82 -4.932 -22.129 -6.619 1.00 14.24 C ATOM 1240 C THR A 82 -4.450 -23.364 -5.866 1.00 14.54 C ATOM 1241 O THR A 82 -4.040 -23.277 -4.708 1.00 13.10 O ATOM 1242 CB THR A 82 -6.450 -21.974 -6.409 1.00 15.42 C ATOM 1243 OG1 THR A 82 -7.088 -21.662 -7.653 1.00 24.12 O ATOM 1244 CG2 THR A 82 -6.747 -20.881 -5.393 1.00 55.54 C ATOM 0 H THR A 82 -5.401 -22.320 -8.653 1.00 13.45 H new ATOM 0 HA THR A 82 -4.426 -21.247 -6.226 1.00 14.24 H new ATOM 0 HB THR A 82 -6.840 -22.918 -6.028 1.00 15.42 H new ATOM 0 HG1 THR A 82 -8.053 -21.567 -7.511 1.00 24.12 H new ATOM 0 HG21 THR A 82 -7.825 -20.790 -5.261 1.00 55.54 H new ATOM 0 HG22 THR A 82 -6.285 -21.136 -4.439 1.00 55.54 H new ATOM 0 HG23 THR A 82 -6.344 -19.933 -5.750 1.00 55.54 H new ATOM 1252 N LYS A 83 -4.502 -24.513 -6.530 1.00 24.23 N ATOM 1253 CA LYS A 83 -4.068 -25.767 -5.924 1.00 53.14 C ATOM 1254 C LYS A 83 -2.550 -25.806 -5.782 1.00 32.15 C ATOM 1255 O LYS A 83 -2.026 -26.154 -4.724 1.00 43.10 O ATOM 1256 CB LYS A 83 -4.543 -26.954 -6.766 1.00 22.14 C ATOM 1257 CG LYS A 83 -6.046 -26.983 -6.983 1.00 63.22 C ATOM 1258 CD LYS A 83 -6.768 -27.614 -5.804 1.00 63.13 C ATOM 1259 CE LYS A 83 -8.271 -27.657 -6.030 1.00 33.12 C ATOM 1260 NZ LYS A 83 -8.923 -28.724 -5.221 1.00 71.20 N ATOM 0 H LYS A 83 -4.840 -24.603 -7.488 1.00 24.23 H new ATOM 0 HA LYS A 83 -4.510 -25.834 -4.930 1.00 53.14 H new ATOM 0 HB2 LYS A 83 -4.045 -26.924 -7.735 1.00 22.14 H new ATOM 0 HB3 LYS A 83 -4.237 -27.880 -6.279 1.00 22.14 H new ATOM 0 HG2 LYS A 83 -6.412 -25.968 -7.134 1.00 63.22 H new ATOM 0 HG3 LYS A 83 -6.273 -27.542 -7.891 1.00 63.22 H new ATOM 0 HD2 LYS A 83 -6.394 -28.625 -5.646 1.00 63.13 H new ATOM 0 HD3 LYS A 83 -6.551 -27.048 -4.898 1.00 63.13 H new ATOM 0 HE2 LYS A 83 -8.705 -26.690 -5.773 1.00 33.12 H new ATOM 0 HE3 LYS A 83 -8.475 -27.827 -7.087 1.00 33.12 H new ATOM 0 HZ1 LYS A 83 -9.947 -28.721 -5.403 1.00 71.20 H new ATOM 0 HZ2 LYS A 83 -8.527 -29.649 -5.484 1.00 71.20 H new ATOM 0 HZ3 LYS A 83 -8.750 -28.548 -4.211 1.00 71.20 H new ATOM 1274 N ALA A 84 -1.850 -25.446 -6.852 1.00 51.32 N ATOM 1275 CA ALA A 84 -0.393 -25.436 -6.844 1.00 64.43 C ATOM 1276 C ALA A 84 0.144 -24.343 -5.927 1.00 45.13 C ATOM 1277 O ALA A 84 1.343 -24.284 -5.650 1.00 53.14 O ATOM 1278 CB ALA A 84 0.142 -25.253 -8.257 1.00 53.20 C ATOM 0 H ALA A 84 -2.269 -25.157 -7.736 1.00 51.32 H new ATOM 0 HA ALA A 84 -0.050 -26.397 -6.459 1.00 64.43 H new ATOM 0 HB1 ALA A 84 1.232 -25.247 -8.236 1.00 53.20 H new ATOM 0 HB2 ALA A 84 -0.204 -26.073 -8.886 1.00 53.20 H new ATOM 0 HB3 ALA A 84 -0.218 -24.307 -8.663 1.00 53.20 H new ATOM 1284 N PHE A 85 -0.749 -23.478 -5.459 1.00 52.23 N ATOM 1285 CA PHE A 85 -0.364 -22.384 -4.574 1.00 73.54 C ATOM 1286 C PHE A 85 -0.755 -22.689 -3.131 1.00 73.53 C ATOM 1287 O PHE A 85 0.047 -22.527 -2.211 1.00 22.30 O ATOM 1288 CB PHE A 85 -1.020 -21.079 -5.027 1.00 55.53 C ATOM 1289 CG PHE A 85 -0.434 -19.857 -4.380 1.00 1.14 C ATOM 1290 CD1 PHE A 85 0.798 -19.367 -4.783 1.00 13.54 C ATOM 1291 CD2 PHE A 85 -1.114 -19.199 -3.367 1.00 61.22 C ATOM 1292 CE1 PHE A 85 1.340 -18.242 -4.189 1.00 22.30 C ATOM 1293 CE2 PHE A 85 -0.577 -18.074 -2.770 1.00 63.42 C ATOM 1294 CZ PHE A 85 0.652 -17.596 -3.181 1.00 24.13 C ATOM 0 H PHE A 85 -1.745 -23.513 -5.678 1.00 52.23 H new ATOM 0 HA PHE A 85 0.719 -22.274 -4.623 1.00 73.54 H new ATOM 0 HB2 PHE A 85 -0.923 -20.989 -6.109 1.00 55.53 H new ATOM 0 HB3 PHE A 85 -2.086 -21.122 -4.805 1.00 55.53 H new ATOM 0 HD1 PHE A 85 1.341 -19.869 -5.570 1.00 13.54 H new ATOM 0 HD2 PHE A 85 -2.074 -19.570 -3.040 1.00 61.22 H new ATOM 0 HE1 PHE A 85 2.300 -17.869 -4.513 1.00 22.30 H new ATOM 0 HE2 PHE A 85 -1.118 -17.569 -1.983 1.00 63.42 H new ATOM 0 HZ PHE A 85 1.074 -16.718 -2.715 1.00 24.13 H new ATOM 1304 N LEU A 86 -1.993 -23.131 -2.941 1.00 75.41 N ATOM 1305 CA LEU A 86 -2.493 -23.459 -1.610 1.00 61.22 C ATOM 1306 C LEU A 86 -1.768 -24.674 -1.040 1.00 64.13 C ATOM 1307 O LEU A 86 -1.201 -24.616 0.050 1.00 4.43 O ATOM 1308 CB LEU A 86 -3.998 -23.727 -1.660 1.00 51.24 C ATOM 1309 CG LEU A 86 -4.775 -23.436 -0.376 1.00 2.23 C ATOM 1310 CD1 LEU A 86 -6.192 -22.988 -0.699 1.00 2.25 C ATOM 1311 CD2 LEU A 86 -4.793 -24.662 0.526 1.00 53.34 C ATOM 0 H LEU A 86 -2.669 -23.271 -3.692 1.00 75.41 H new ATOM 0 HA LEU A 86 -2.303 -22.606 -0.958 1.00 61.22 H new ATOM 0 HB2 LEU A 86 -4.427 -23.128 -2.464 1.00 51.24 H new ATOM 0 HB3 LEU A 86 -4.152 -24.773 -1.925 1.00 51.24 H new ATOM 0 HG LEU A 86 -4.273 -22.627 0.154 1.00 2.23 H new ATOM 0 HD11 LEU A 86 -6.730 -22.786 0.227 1.00 2.25 H new ATOM 0 HD12 LEU A 86 -6.158 -22.082 -1.304 1.00 2.25 H new ATOM 0 HD13 LEU A 86 -6.705 -23.775 -1.252 1.00 2.25 H new ATOM 0 HD21 LEU A 86 -5.350 -24.437 1.435 1.00 53.34 H new ATOM 0 HD22 LEU A 86 -5.271 -25.491 0.004 1.00 53.34 H new ATOM 0 HD23 LEU A 86 -3.771 -24.938 0.786 1.00 53.34 H new ATOM 1323 N ALA A 87 -1.789 -25.773 -1.787 1.00 65.30 N ATOM 1324 CA ALA A 87 -1.129 -27.001 -1.358 1.00 55.43 C ATOM 1325 C ALA A 87 0.382 -26.812 -1.276 1.00 35.50 C ATOM 1326 O ALA A 87 1.088 -27.635 -0.694 1.00 0.34 O ATOM 1327 CB ALA A 87 -1.470 -28.141 -2.306 1.00 34.44 C ATOM 0 H ALA A 87 -2.255 -25.839 -2.692 1.00 65.30 H new ATOM 0 HA ALA A 87 -1.492 -27.251 -0.361 1.00 55.43 H new ATOM 0 HB1 ALA A 87 -0.971 -29.052 -1.974 1.00 34.44 H new ATOM 0 HB2 ALA A 87 -2.548 -28.300 -2.311 1.00 34.44 H new ATOM 0 HB3 ALA A 87 -1.135 -27.890 -3.312 1.00 34.44 H new ATOM 1333 N ALA A 88 0.871 -25.725 -1.863 1.00 73.45 N ATOM 1334 CA ALA A 88 2.298 -25.429 -1.855 1.00 72.11 C ATOM 1335 C ALA A 88 2.650 -24.454 -0.737 1.00 34.03 C ATOM 1336 O ALA A 88 3.772 -24.451 -0.232 1.00 73.15 O ATOM 1337 CB ALA A 88 2.728 -24.868 -3.202 1.00 42.32 C ATOM 0 H ALA A 88 0.300 -25.035 -2.350 1.00 73.45 H new ATOM 0 HA ALA A 88 2.836 -26.359 -1.673 1.00 72.11 H new ATOM 0 HB1 ALA A 88 3.796 -24.651 -3.182 1.00 42.32 H new ATOM 0 HB2 ALA A 88 2.521 -25.599 -3.984 1.00 42.32 H new ATOM 0 HB3 ALA A 88 2.176 -23.951 -3.407 1.00 42.32 H new ATOM 1343 N GLY A 89 1.682 -23.626 -0.354 1.00 3.14 N ATOM 1344 CA GLY A 89 1.910 -22.657 0.702 1.00 5.23 C ATOM 1345 C GLY A 89 1.418 -23.142 2.051 1.00 34.11 C ATOM 1346 O GLY A 89 2.187 -23.220 3.009 1.00 14.13 O ATOM 0 H GLY A 89 0.745 -23.609 -0.756 1.00 3.14 H new ATOM 0 HA2 GLY A 89 2.976 -22.437 0.765 1.00 5.23 H new ATOM 0 HA3 GLY A 89 1.407 -21.724 0.449 1.00 5.23 H new ATOM 1350 N ASP A 90 0.132 -23.468 2.127 1.00 11.41 N ATOM 1351 CA ASP A 90 -0.463 -23.947 3.369 1.00 33.20 C ATOM 1352 C ASP A 90 0.349 -25.099 3.951 1.00 23.55 C ATOM 1353 O ASP A 90 0.278 -26.231 3.470 1.00 54.44 O ATOM 1354 CB ASP A 90 -1.906 -24.394 3.129 1.00 70.53 C ATOM 1355 CG ASP A 90 -2.418 -25.311 4.223 1.00 41.14 C ATOM 1356 OD1 ASP A 90 -2.226 -26.539 4.105 1.00 4.03 O ATOM 1357 OD2 ASP A 90 -3.012 -24.800 5.196 1.00 45.04 O ATOM 0 H ASP A 90 -0.518 -23.409 1.343 1.00 11.41 H new ATOM 0 HA ASP A 90 -0.460 -23.125 4.085 1.00 33.20 H new ATOM 0 HB2 ASP A 90 -2.549 -23.516 3.064 1.00 70.53 H new ATOM 0 HB3 ASP A 90 -1.969 -24.907 2.169 1.00 70.53 H new ATOM 1362 N THR A 91 1.124 -24.805 4.991 1.00 14.23 N ATOM 1363 CA THR A 91 1.952 -25.815 5.638 1.00 15.22 C ATOM 1364 C THR A 91 1.596 -25.955 7.114 1.00 52.42 C ATOM 1365 O THR A 91 1.411 -27.064 7.615 1.00 1.33 O ATOM 1366 CB THR A 91 3.449 -25.478 5.512 1.00 24.15 C ATOM 1367 OG1 THR A 91 3.650 -24.069 5.672 1.00 72.23 O ATOM 1368 CG2 THR A 91 3.993 -25.923 4.163 1.00 32.52 C ATOM 0 H THR A 91 1.195 -23.875 5.403 1.00 14.23 H new ATOM 0 HA THR A 91 1.756 -26.759 5.129 1.00 15.22 H new ATOM 0 HB THR A 91 3.985 -26.012 6.296 1.00 24.15 H new ATOM 0 HG1 THR A 91 3.353 -23.602 4.863 1.00 72.23 H new ATOM 0 HG21 THR A 91 5.052 -25.674 4.098 1.00 32.52 H new ATOM 0 HG22 THR A 91 3.866 -27.000 4.057 1.00 32.52 H new ATOM 0 HG23 THR A 91 3.451 -25.414 3.366 1.00 32.52 H new ATOM 1376 N ASP A 92 1.501 -24.824 7.804 1.00 13.32 N ATOM 1377 CA ASP A 92 1.165 -24.820 9.223 1.00 31.24 C ATOM 1378 C ASP A 92 -0.237 -25.377 9.451 1.00 21.05 C ATOM 1379 O ASP A 92 -0.452 -26.199 10.342 1.00 52.45 O ATOM 1380 CB ASP A 92 1.262 -23.402 9.789 1.00 62.42 C ATOM 1381 CG ASP A 92 0.938 -23.346 11.269 1.00 44.22 C ATOM 1382 OD1 ASP A 92 1.644 -24.011 12.057 1.00 54.24 O ATOM 1383 OD2 ASP A 92 -0.020 -22.636 11.639 1.00 5.14 O ATOM 0 H ASP A 92 1.652 -23.898 7.404 1.00 13.32 H new ATOM 0 HA ASP A 92 1.880 -25.459 9.742 1.00 31.24 H new ATOM 0 HB2 ASP A 92 2.268 -23.017 9.626 1.00 62.42 H new ATOM 0 HB3 ASP A 92 0.579 -22.749 9.245 1.00 62.42 H new ATOM 1388 N GLY A 93 -1.188 -24.923 8.641 1.00 11.51 N ATOM 1389 CA GLY A 93 -2.557 -25.385 8.772 1.00 74.13 C ATOM 1390 C GLY A 93 -2.970 -26.303 7.638 1.00 24.54 C ATOM 1391 O GLY A 93 -2.152 -27.061 7.115 1.00 1.51 O ATOM 0 H GLY A 93 -1.035 -24.243 7.896 1.00 11.51 H new ATOM 0 HA2 GLY A 93 -2.671 -25.910 9.720 1.00 74.13 H new ATOM 0 HA3 GLY A 93 -3.226 -24.525 8.801 1.00 74.13 H new ATOM 1395 N ASP A 94 -4.241 -26.239 7.259 1.00 11.53 N ATOM 1396 CA ASP A 94 -4.761 -27.071 6.181 1.00 60.41 C ATOM 1397 C ASP A 94 -5.991 -26.432 5.545 1.00 12.40 C ATOM 1398 O ASP A 94 -7.117 -26.653 5.988 1.00 55.03 O ATOM 1399 CB ASP A 94 -5.110 -28.465 6.707 1.00 44.33 C ATOM 1400 CG ASP A 94 -5.418 -29.444 5.591 1.00 14.22 C ATOM 1401 OD1 ASP A 94 -4.532 -29.674 4.742 1.00 55.41 O ATOM 1402 OD2 ASP A 94 -6.546 -29.980 5.567 1.00 54.31 O ATOM 0 H ASP A 94 -4.931 -25.619 7.683 1.00 11.53 H new ATOM 0 HA ASP A 94 -3.986 -27.161 5.420 1.00 60.41 H new ATOM 0 HB2 ASP A 94 -4.279 -28.845 7.301 1.00 44.33 H new ATOM 0 HB3 ASP A 94 -5.971 -28.394 7.372 1.00 44.33 H new ATOM 1407 N GLY A 95 -5.767 -25.636 4.504 1.00 42.52 N ATOM 1408 CA GLY A 95 -6.866 -24.975 3.825 1.00 50.22 C ATOM 1409 C GLY A 95 -6.530 -23.551 3.428 1.00 15.21 C ATOM 1410 O GLY A 95 -6.612 -23.189 2.254 1.00 73.40 O ATOM 0 H GLY A 95 -4.844 -25.437 4.119 1.00 42.52 H new ATOM 0 HA2 GLY A 95 -7.133 -25.544 2.934 1.00 50.22 H new ATOM 0 HA3 GLY A 95 -7.741 -24.971 4.475 1.00 50.22 H new ATOM 1414 N LYS A 96 -6.153 -22.738 4.409 1.00 21.33 N ATOM 1415 CA LYS A 96 -5.804 -21.345 4.158 1.00 21.11 C ATOM 1416 C LYS A 96 -4.303 -21.123 4.318 1.00 13.32 C ATOM 1417 O LYS A 96 -3.563 -22.045 4.659 1.00 22.54 O ATOM 1418 CB LYS A 96 -6.571 -20.426 5.111 1.00 10.13 C ATOM 1419 CG LYS A 96 -6.548 -20.893 6.556 1.00 15.04 C ATOM 1420 CD LYS A 96 -5.184 -20.681 7.190 1.00 64.13 C ATOM 1421 CE LYS A 96 -4.461 -22.001 7.410 1.00 4.13 C ATOM 1422 NZ LYS A 96 -4.868 -22.650 8.687 1.00 74.11 N ATOM 0 H LYS A 96 -6.081 -23.020 5.386 1.00 21.33 H new ATOM 0 HA LYS A 96 -6.081 -21.106 3.131 1.00 21.11 H new ATOM 0 HB2 LYS A 96 -6.147 -19.423 5.055 1.00 10.13 H new ATOM 0 HB3 LYS A 96 -7.606 -20.353 4.778 1.00 10.13 H new ATOM 0 HG2 LYS A 96 -7.303 -20.352 7.126 1.00 15.04 H new ATOM 0 HG3 LYS A 96 -6.811 -21.950 6.602 1.00 15.04 H new ATOM 0 HD2 LYS A 96 -4.581 -20.036 6.551 1.00 64.13 H new ATOM 0 HD3 LYS A 96 -5.301 -20.165 8.143 1.00 64.13 H new ATOM 0 HE2 LYS A 96 -4.671 -22.673 6.578 1.00 4.13 H new ATOM 0 HE3 LYS A 96 -3.385 -21.829 7.417 1.00 4.13 H new ATOM 0 HZ1 LYS A 96 -4.073 -22.627 9.357 1.00 74.11 H new ATOM 0 HZ2 LYS A 96 -5.678 -22.139 9.093 1.00 74.11 H new ATOM 0 HZ3 LYS A 96 -5.138 -23.637 8.504 1.00 74.11 H new ATOM 1436 N ILE A 97 -3.862 -19.894 4.071 1.00 13.14 N ATOM 1437 CA ILE A 97 -2.451 -19.551 4.191 1.00 23.01 C ATOM 1438 C ILE A 97 -2.267 -18.224 4.920 1.00 51.05 C ATOM 1439 O ILE A 97 -2.792 -17.194 4.497 1.00 22.45 O ATOM 1440 CB ILE A 97 -1.774 -19.464 2.811 1.00 45.14 C ATOM 1441 CG1 ILE A 97 -1.729 -20.844 2.152 1.00 32.30 C ATOM 1442 CG2 ILE A 97 -0.371 -18.889 2.944 1.00 71.31 C ATOM 1443 CD1 ILE A 97 -1.105 -20.837 0.774 1.00 2.43 C ATOM 0 H ILE A 97 -4.462 -19.120 3.787 1.00 13.14 H new ATOM 0 HA ILE A 97 -1.981 -20.347 4.768 1.00 23.01 H new ATOM 0 HB ILE A 97 -2.360 -18.798 2.177 1.00 45.14 H new ATOM 0 HG12 ILE A 97 -1.168 -21.525 2.792 1.00 32.30 H new ATOM 0 HG13 ILE A 97 -2.743 -21.236 2.080 1.00 32.30 H new ATOM 0 HG21 ILE A 97 0.094 -18.834 1.960 1.00 71.31 H new ATOM 0 HG22 ILE A 97 -0.427 -17.890 3.376 1.00 71.31 H new ATOM 0 HG23 ILE A 97 0.225 -19.531 3.592 1.00 71.31 H new ATOM 0 HD11 ILE A 97 -1.107 -21.849 0.369 1.00 2.43 H new ATOM 0 HD12 ILE A 97 -1.679 -20.182 0.118 1.00 2.43 H new ATOM 0 HD13 ILE A 97 -0.079 -20.475 0.841 1.00 2.43 H new ATOM 1455 N GLY A 98 -1.516 -18.256 6.017 1.00 74.05 N ATOM 1456 CA GLY A 98 -1.275 -17.049 6.786 1.00 60.33 C ATOM 1457 C GLY A 98 -0.034 -16.309 6.329 1.00 63.04 C ATOM 1458 O GLY A 98 0.068 -15.910 5.168 1.00 23.34 O ATOM 0 H GLY A 98 -1.071 -19.096 6.387 1.00 74.05 H new ATOM 0 HA2 GLY A 98 -2.139 -16.390 6.702 1.00 60.33 H new ATOM 0 HA3 GLY A 98 -1.173 -17.308 7.840 1.00 60.33 H new ATOM 1462 N VAL A 99 0.913 -16.123 7.243 1.00 12.32 N ATOM 1463 CA VAL A 99 2.153 -15.425 6.928 1.00 4.41 C ATOM 1464 C VAL A 99 3.347 -16.371 6.989 1.00 2.32 C ATOM 1465 O VAL A 99 4.087 -16.515 6.017 1.00 71.34 O ATOM 1466 CB VAL A 99 2.395 -14.248 7.892 1.00 44.43 C ATOM 1467 CG1 VAL A 99 2.189 -12.921 7.177 1.00 53.11 C ATOM 1468 CG2 VAL A 99 1.484 -14.357 9.105 1.00 51.32 C ATOM 0 H VAL A 99 0.845 -16.446 8.208 1.00 12.32 H new ATOM 0 HA VAL A 99 2.050 -15.039 5.914 1.00 4.41 H new ATOM 0 HB VAL A 99 3.428 -14.290 8.237 1.00 44.43 H new ATOM 0 HG11 VAL A 99 2.364 -12.101 7.874 1.00 53.11 H new ATOM 0 HG12 VAL A 99 2.887 -12.844 6.344 1.00 53.11 H new ATOM 0 HG13 VAL A 99 1.168 -12.865 6.801 1.00 53.11 H new ATOM 0 HG21 VAL A 99 1.669 -13.517 9.775 1.00 51.32 H new ATOM 0 HG22 VAL A 99 0.443 -14.341 8.781 1.00 51.32 H new ATOM 0 HG23 VAL A 99 1.686 -15.291 9.629 1.00 51.32 H new ATOM 1478 N GLU A 100 3.528 -17.013 8.139 1.00 61.21 N ATOM 1479 CA GLU A 100 4.633 -17.946 8.326 1.00 1.04 C ATOM 1480 C GLU A 100 4.604 -19.044 7.267 1.00 32.12 C ATOM 1481 O GLU A 100 5.634 -19.631 6.939 1.00 43.22 O ATOM 1482 CB GLU A 100 4.574 -18.568 9.723 1.00 15.22 C ATOM 1483 CG GLU A 100 5.699 -18.116 10.639 1.00 72.11 C ATOM 1484 CD GLU A 100 6.037 -19.146 11.699 1.00 21.11 C ATOM 1485 OE1 GLU A 100 5.148 -19.476 12.512 1.00 44.31 O ATOM 1486 OE2 GLU A 100 7.191 -19.623 11.715 1.00 4.33 O ATOM 0 H GLU A 100 2.925 -16.904 8.954 1.00 61.21 H new ATOM 0 HA GLU A 100 5.565 -17.390 8.223 1.00 1.04 H new ATOM 0 HB2 GLU A 100 3.619 -18.316 10.183 1.00 15.22 H new ATOM 0 HB3 GLU A 100 4.607 -19.654 9.630 1.00 15.22 H new ATOM 0 HG2 GLU A 100 6.587 -17.909 10.042 1.00 72.11 H new ATOM 0 HG3 GLU A 100 5.415 -17.181 11.123 1.00 72.11 H new ATOM 1493 N GLU A 101 3.415 -19.316 6.738 1.00 41.14 N ATOM 1494 CA GLU A 101 3.251 -20.344 5.717 1.00 64.41 C ATOM 1495 C GLU A 101 3.429 -19.757 4.320 1.00 60.34 C ATOM 1496 O GLU A 101 3.740 -20.474 3.368 1.00 53.11 O ATOM 1497 CB GLU A 101 1.873 -20.998 5.836 1.00 0.22 C ATOM 1498 CG GLU A 101 1.521 -21.423 7.252 1.00 43.11 C ATOM 1499 CD GLU A 101 0.975 -20.280 8.085 1.00 34.13 C ATOM 1500 OE1 GLU A 101 -0.201 -19.908 7.885 1.00 24.54 O ATOM 1501 OE2 GLU A 101 1.723 -19.758 8.938 1.00 51.30 O ATOM 0 H GLU A 101 2.552 -18.839 6.999 1.00 41.14 H new ATOM 0 HA GLU A 101 4.019 -21.101 5.874 1.00 64.41 H new ATOM 0 HB2 GLU A 101 1.117 -20.300 5.477 1.00 0.22 H new ATOM 0 HB3 GLU A 101 1.837 -21.871 5.184 1.00 0.22 H new ATOM 0 HG2 GLU A 101 0.783 -22.225 7.214 1.00 43.11 H new ATOM 0 HG3 GLU A 101 2.409 -21.829 7.737 1.00 43.11 H new ATOM 1508 N PHE A 102 3.229 -18.449 4.204 1.00 12.43 N ATOM 1509 CA PHE A 102 3.365 -17.764 2.924 1.00 71.32 C ATOM 1510 C PHE A 102 4.834 -17.625 2.535 1.00 11.32 C ATOM 1511 O PHE A 102 5.266 -18.146 1.508 1.00 43.03 O ATOM 1512 CB PHE A 102 2.709 -16.383 2.987 1.00 30.42 C ATOM 1513 CG PHE A 102 2.757 -15.636 1.685 1.00 23.50 C ATOM 1514 CD1 PHE A 102 1.803 -15.862 0.706 1.00 1.11 C ATOM 1515 CD2 PHE A 102 3.757 -14.709 1.440 1.00 63.32 C ATOM 1516 CE1 PHE A 102 1.844 -15.176 -0.493 1.00 44.03 C ATOM 1517 CE2 PHE A 102 3.803 -14.020 0.243 1.00 64.13 C ATOM 1518 CZ PHE A 102 2.847 -14.255 -0.726 1.00 14.45 C ATOM 0 H PHE A 102 2.972 -17.841 4.982 1.00 12.43 H new ATOM 0 HA PHE A 102 2.861 -18.363 2.165 1.00 71.32 H new ATOM 0 HB2 PHE A 102 1.669 -16.497 3.293 1.00 30.42 H new ATOM 0 HB3 PHE A 102 3.204 -15.789 3.756 1.00 30.42 H new ATOM 0 HD1 PHE A 102 1.018 -16.583 0.882 1.00 1.11 H new ATOM 0 HD2 PHE A 102 4.509 -14.523 2.193 1.00 63.32 H new ATOM 0 HE1 PHE A 102 1.093 -15.360 -1.247 1.00 44.03 H new ATOM 0 HE2 PHE A 102 4.586 -13.298 0.065 1.00 64.13 H new ATOM 0 HZ PHE A 102 2.884 -13.720 -1.663 1.00 14.45 H new ATOM 1528 N GLN A 103 5.594 -16.917 3.364 1.00 24.13 N ATOM 1529 CA GLN A 103 7.014 -16.708 3.107 1.00 42.42 C ATOM 1530 C GLN A 103 7.737 -18.038 2.926 1.00 32.50 C ATOM 1531 O GLN A 103 8.757 -18.114 2.241 1.00 73.21 O ATOM 1532 CB GLN A 103 7.651 -15.919 4.253 1.00 61.53 C ATOM 1533 CG GLN A 103 7.435 -16.550 5.619 1.00 72.31 C ATOM 1534 CD GLN A 103 8.183 -15.827 6.721 1.00 42.41 C ATOM 1535 OE1 GLN A 103 9.319 -16.173 7.047 1.00 40.23 O ATOM 1536 NE2 GLN A 103 7.549 -14.815 7.302 1.00 41.22 N ATOM 0 H GLN A 103 5.251 -16.479 4.219 1.00 24.13 H new ATOM 0 HA GLN A 103 7.109 -16.136 2.184 1.00 42.42 H new ATOM 0 HB2 GLN A 103 8.722 -15.828 4.069 1.00 61.53 H new ATOM 0 HB3 GLN A 103 7.241 -14.909 4.260 1.00 61.53 H new ATOM 0 HG2 GLN A 103 6.370 -16.552 5.849 1.00 72.31 H new ATOM 0 HG3 GLN A 103 7.757 -17.591 5.589 1.00 72.31 H new ATOM 0 HE21 GLN A 103 6.608 -14.562 7.000 1.00 41.22 H new ATOM 0 HE22 GLN A 103 8.003 -14.291 8.050 1.00 41.22 H new ATOM 1545 N SER A 104 7.202 -19.086 3.545 1.00 13.34 N ATOM 1546 CA SER A 104 7.798 -20.413 3.456 1.00 21.43 C ATOM 1547 C SER A 104 7.698 -20.960 2.035 1.00 1.52 C ATOM 1548 O SER A 104 8.339 -21.955 1.693 1.00 14.43 O ATOM 1549 CB SER A 104 7.111 -21.371 4.432 1.00 3.32 C ATOM 1550 OG SER A 104 7.681 -22.666 4.361 1.00 33.44 O ATOM 0 H SER A 104 6.356 -19.041 4.114 1.00 13.34 H new ATOM 0 HA SER A 104 8.852 -20.329 3.721 1.00 21.43 H new ATOM 0 HB2 SER A 104 7.200 -20.986 5.448 1.00 3.32 H new ATOM 0 HB3 SER A 104 6.046 -21.426 4.204 1.00 3.32 H new ATOM 0 HG SER A 104 8.087 -22.797 3.479 1.00 33.44 H new ATOM 1556 N LEU A 105 6.890 -20.302 1.211 1.00 1.21 N ATOM 1557 CA LEU A 105 6.705 -20.720 -0.174 1.00 52.12 C ATOM 1558 C LEU A 105 7.481 -19.814 -1.125 1.00 23.42 C ATOM 1559 O LEU A 105 8.126 -20.287 -2.061 1.00 41.11 O ATOM 1560 CB LEU A 105 5.219 -20.705 -0.538 1.00 31.45 C ATOM 1561 CG LEU A 105 4.886 -20.935 -2.012 1.00 43.12 C ATOM 1562 CD1 LEU A 105 3.551 -21.650 -2.153 1.00 44.44 C ATOM 1563 CD2 LEU A 105 4.868 -19.613 -2.767 1.00 23.53 C ATOM 0 H LEU A 105 6.353 -19.477 1.478 1.00 1.21 H new ATOM 0 HA LEU A 105 7.088 -21.736 -0.275 1.00 52.12 H new ATOM 0 HB2 LEU A 105 4.714 -21.470 0.051 1.00 31.45 H new ATOM 0 HB3 LEU A 105 4.802 -19.744 -0.238 1.00 31.45 H new ATOM 0 HG LEU A 105 5.661 -21.568 -2.445 1.00 43.12 H new ATOM 0 HD11 LEU A 105 3.331 -21.805 -3.209 1.00 44.44 H new ATOM 0 HD12 LEU A 105 3.600 -22.614 -1.647 1.00 44.44 H new ATOM 0 HD13 LEU A 105 2.764 -21.044 -1.704 1.00 44.44 H new ATOM 0 HD21 LEU A 105 4.629 -19.796 -3.815 1.00 23.53 H new ATOM 0 HD22 LEU A 105 4.115 -18.956 -2.332 1.00 23.53 H new ATOM 0 HD23 LEU A 105 5.847 -19.140 -2.695 1.00 23.53 H new ATOM 1575 N VAL A 106 7.417 -18.510 -0.877 1.00 34.13 N ATOM 1576 CA VAL A 106 8.116 -17.538 -1.708 1.00 62.12 C ATOM 1577 C VAL A 106 9.622 -17.777 -1.685 1.00 33.22 C ATOM 1578 O VAL A 106 10.276 -17.789 -2.728 1.00 3.25 O ATOM 1579 CB VAL A 106 7.829 -16.096 -1.248 1.00 63.34 C ATOM 1580 CG1 VAL A 106 8.625 -15.102 -2.081 1.00 35.04 C ATOM 1581 CG2 VAL A 106 6.339 -15.799 -1.327 1.00 45.02 C ATOM 0 H VAL A 106 6.888 -18.102 -0.106 1.00 34.13 H new ATOM 0 HA VAL A 106 7.746 -17.667 -2.725 1.00 62.12 H new ATOM 0 HB VAL A 106 8.141 -15.995 -0.209 1.00 63.34 H new ATOM 0 HG11 VAL A 106 8.410 -14.089 -1.742 1.00 35.04 H new ATOM 0 HG12 VAL A 106 9.690 -15.304 -1.968 1.00 35.04 H new ATOM 0 HG13 VAL A 106 8.346 -15.201 -3.130 1.00 35.04 H new ATOM 0 HG21 VAL A 106 6.154 -14.776 -0.998 1.00 45.02 H new ATOM 0 HG22 VAL A 106 5.999 -15.917 -2.356 1.00 45.02 H new ATOM 0 HG23 VAL A 106 5.795 -16.491 -0.683 1.00 45.02 H new ATOM 1591 N LYS A 107 10.166 -17.969 -0.488 1.00 1.50 N ATOM 1592 CA LYS A 107 11.595 -18.210 -0.327 1.00 0.34 C ATOM 1593 C LYS A 107 12.027 -19.455 -1.095 1.00 51.51 C ATOM 1594 O LYS A 107 13.206 -19.628 -1.401 1.00 61.42 O ATOM 1595 CB LYS A 107 11.943 -18.366 1.156 1.00 74.25 C ATOM 1596 CG LYS A 107 11.521 -17.182 2.008 1.00 53.45 C ATOM 1597 CD LYS A 107 11.382 -17.568 3.470 1.00 23.25 C ATOM 1598 CE LYS A 107 12.716 -17.997 4.062 1.00 22.32 C ATOM 1599 NZ LYS A 107 12.565 -18.526 5.446 1.00 13.22 N ATOM 0 H LYS A 107 9.639 -17.962 0.385 1.00 1.50 H new ATOM 0 HA LYS A 107 12.131 -17.351 -0.731 1.00 0.34 H new ATOM 0 HB2 LYS A 107 11.465 -19.267 1.540 1.00 74.25 H new ATOM 0 HB3 LYS A 107 13.019 -18.509 1.255 1.00 74.25 H new ATOM 0 HG2 LYS A 107 12.255 -16.382 1.910 1.00 53.45 H new ATOM 0 HG3 LYS A 107 10.572 -16.790 1.643 1.00 53.45 H new ATOM 0 HD2 LYS A 107 10.987 -16.723 4.035 1.00 23.25 H new ATOM 0 HD3 LYS A 107 10.662 -18.381 3.566 1.00 23.25 H new ATOM 0 HE2 LYS A 107 13.165 -18.761 3.428 1.00 22.32 H new ATOM 0 HE3 LYS A 107 13.399 -17.148 4.070 1.00 22.32 H new ATOM 0 HZ1 LYS A 107 13.496 -18.807 5.814 1.00 13.22 H new ATOM 0 HZ2 LYS A 107 12.160 -17.789 6.057 1.00 13.22 H new ATOM 0 HZ3 LYS A 107 11.933 -19.352 5.435 1.00 13.22 H new ATOM 1613 N ALA A 108 11.064 -20.317 -1.405 1.00 2.21 N ATOM 1614 CA ALA A 108 11.345 -21.543 -2.141 1.00 20.33 C ATOM 1615 C ALA A 108 11.208 -21.325 -3.644 1.00 31.43 C ATOM 1616 O ALA A 108 11.359 -22.259 -4.432 1.00 61.43 O ATOM 1617 CB ALA A 108 10.418 -22.659 -1.680 1.00 43.24 C ATOM 0 H ALA A 108 10.083 -20.189 -1.158 1.00 2.21 H new ATOM 0 HA ALA A 108 12.375 -21.833 -1.936 1.00 20.33 H new ATOM 0 HB1 ALA A 108 10.639 -23.569 -2.238 1.00 43.24 H new ATOM 0 HB2 ALA A 108 10.568 -22.840 -0.616 1.00 43.24 H new ATOM 0 HB3 ALA A 108 9.382 -22.368 -1.856 1.00 43.24 H new TER 1623 ALA A 108