USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=27 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 78 THR OG1 : rot 180:sc= 0.337 USER MOD Set 1.2: A 79 SER OG : rot 59:sc= 0.155 USER MOD Set 2.1: A 17 SER OG : rot -85:sc= 0.785 USER MOD Set 2.2: A 18 CYS SG : rot -107:sc= 0.627 USER MOD Set 2.3: A 28 SER OG : rot -129:sc= 0.531 USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.115 (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+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 110:sc= 0.507 USER MOD Single : A 16 SER OG : rot -44:sc= 0.063 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 23 SER OG : rot -106:sc= 1.27 USER MOD Single : A 25 ASN : amide:sc= -1.62 X(o=-1.6,f=-1.7) 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 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 122:sc= -0.863 USER MOD Single : A 36 SER OG : rot 150:sc= -0.612 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.946 USER MOD Single : A 42 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.36) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.37 K(o=-2.4,f=-4.2) USER MOD Single : A 54 LYS NZ :NH3+ -149:sc= -0.83 (180deg=-2.92!) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0156 USER MOD Single : A 64 GLN : amide:sc= -0.0749 K(o=-0.075,f=-0.7) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -1.17 X(o=-1.2,f=-1.2) USER MOD Single : A 71 SER OG : rot -19:sc= 0.476 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 82 THR OG1 : rot 76:sc= -0.445 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 75:sc= 0.259 USER MOD Single : A 96 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.862) USER MOD Single : A 103 GLN : amide:sc= -0.0344 X(o=-0.034,f=0) USER MOD Single : A 104 SER OG : rot -25:sc= 0.0626 USER MOD Single : A 107 LYS NZ :NH3+ -112:sc= 0.301 (180deg=-0.171) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.436 0.483 -1.128 1.00 14.54 N ATOM 2 CA ALA A 1 0.817 -0.049 -2.430 1.00 2.42 C ATOM 3 C ALA A 1 1.799 -1.206 -2.284 1.00 20.13 C ATOM 4 O ALA A 1 2.261 -1.505 -1.182 1.00 44.41 O ATOM 5 CB ALA A 1 1.419 1.050 -3.293 1.00 54.43 C ATOM 0 H1 ALA A 1 -0.578 0.316 -0.968 1.00 14.54 H new ATOM 0 H2 ALA A 1 0.986 0.008 -0.384 1.00 14.54 H new ATOM 0 H3 ALA A 1 0.627 1.505 -1.101 1.00 14.54 H new ATOM 0 HA ALA A 1 -0.081 -0.428 -2.917 1.00 2.42 H new ATOM 0 HB1 ALA A 1 1.699 0.639 -4.263 1.00 54.43 H new ATOM 0 HB2 ALA A 1 0.686 1.845 -3.434 1.00 54.43 H new ATOM 0 HB3 ALA A 1 2.304 1.455 -2.801 1.00 54.43 H new ATOM 11 N ILE A 2 2.112 -1.855 -3.400 1.00 45.52 N ATOM 12 CA ILE A 2 3.040 -2.979 -3.395 1.00 72.13 C ATOM 13 C ILE A 2 4.420 -2.556 -3.887 1.00 11.31 C ATOM 14 O ILE A 2 5.439 -3.084 -3.441 1.00 44.43 O ATOM 15 CB ILE A 2 2.527 -4.136 -4.274 1.00 11.44 C ATOM 16 CG1 ILE A 2 3.480 -5.330 -4.190 1.00 51.32 C ATOM 17 CG2 ILE A 2 2.370 -3.676 -5.715 1.00 74.24 C ATOM 18 CD1 ILE A 2 3.622 -5.893 -2.794 1.00 1.15 C ATOM 0 H ILE A 2 1.737 -1.622 -4.319 1.00 45.52 H new ATOM 0 HA ILE A 2 3.114 -3.322 -2.363 1.00 72.13 H new ATOM 0 HB ILE A 2 1.550 -4.449 -3.905 1.00 11.44 H new ATOM 0 HG12 ILE A 2 3.124 -6.116 -4.856 1.00 51.32 H new ATOM 0 HG13 ILE A 2 4.462 -5.027 -4.552 1.00 51.32 H new ATOM 0 HG21 ILE A 2 2.007 -4.504 -6.324 1.00 74.24 H new ATOM 0 HG22 ILE A 2 1.656 -2.853 -5.759 1.00 74.24 H new ATOM 0 HG23 ILE A 2 3.334 -3.340 -6.097 1.00 74.24 H new ATOM 0 HD11 ILE A 2 4.312 -6.736 -2.810 1.00 1.15 H new ATOM 0 HD12 ILE A 2 4.008 -5.121 -2.128 1.00 1.15 H new ATOM 0 HD13 ILE A 2 2.648 -6.228 -2.436 1.00 1.15 H new ATOM 30 N THR A 3 4.446 -1.597 -4.808 1.00 32.40 N ATOM 31 CA THR A 3 5.700 -1.102 -5.360 1.00 42.21 C ATOM 32 C THR A 3 6.613 -0.571 -4.261 1.00 1.32 C ATOM 33 O THR A 3 7.831 -0.506 -4.429 1.00 51.25 O ATOM 34 CB THR A 3 5.457 0.014 -6.394 1.00 1.35 C ATOM 35 OG1 THR A 3 4.750 1.100 -5.785 1.00 14.24 O ATOM 36 CG2 THR A 3 4.665 -0.511 -7.581 1.00 71.22 C ATOM 0 H THR A 3 3.612 -1.148 -5.187 1.00 32.40 H new ATOM 0 HA THR A 3 6.183 -1.945 -5.853 1.00 42.21 H new ATOM 0 HB THR A 3 6.425 0.366 -6.751 1.00 1.35 H new ATOM 0 HG1 THR A 3 4.601 1.806 -6.448 1.00 14.24 H new ATOM 0 HG21 THR A 3 4.506 0.295 -8.297 1.00 71.22 H new ATOM 0 HG22 THR A 3 5.219 -1.318 -8.060 1.00 71.22 H new ATOM 0 HG23 THR A 3 3.701 -0.887 -7.238 1.00 71.22 H new ATOM 44 N ASP A 4 6.018 -0.193 -3.135 1.00 55.42 N ATOM 45 CA ASP A 4 6.778 0.331 -2.007 1.00 11.54 C ATOM 46 C ASP A 4 7.782 -0.700 -1.502 1.00 45.13 C ATOM 47 O ASP A 4 8.765 -0.354 -0.845 1.00 71.13 O ATOM 48 CB ASP A 4 5.835 0.739 -0.874 1.00 14.22 C ATOM 49 CG ASP A 4 5.181 2.085 -1.121 1.00 30.43 C ATOM 50 OD1 ASP A 4 5.010 2.453 -2.301 1.00 44.24 O ATOM 51 OD2 ASP A 4 4.841 2.770 -0.133 1.00 72.51 O ATOM 0 H ASP A 4 5.011 -0.240 -2.979 1.00 55.42 H new ATOM 0 HA ASP A 4 7.326 1.209 -2.348 1.00 11.54 H new ATOM 0 HB2 ASP A 4 5.062 -0.021 -0.757 1.00 14.22 H new ATOM 0 HB3 ASP A 4 6.391 0.775 0.063 1.00 14.22 H new ATOM 56 N ILE A 5 7.529 -1.967 -1.813 1.00 54.41 N ATOM 57 CA ILE A 5 8.411 -3.048 -1.391 1.00 53.43 C ATOM 58 C ILE A 5 9.066 -3.723 -2.592 1.00 12.44 C ATOM 59 O ILE A 5 10.284 -3.897 -2.631 1.00 25.41 O ATOM 60 CB ILE A 5 7.651 -4.107 -0.572 1.00 75.53 C ATOM 61 CG1 ILE A 5 6.446 -3.475 0.127 1.00 34.24 C ATOM 62 CG2 ILE A 5 8.578 -4.758 0.443 1.00 42.01 C ATOM 63 CD1 ILE A 5 5.699 -4.433 1.029 1.00 60.32 C ATOM 0 H ILE A 5 6.720 -2.270 -2.356 1.00 54.41 H new ATOM 0 HA ILE A 5 9.182 -2.600 -0.764 1.00 53.43 H new ATOM 0 HB ILE A 5 7.289 -4.879 -1.251 1.00 75.53 H new ATOM 0 HG12 ILE A 5 6.784 -2.623 0.716 1.00 34.24 H new ATOM 0 HG13 ILE A 5 5.760 -3.089 -0.627 1.00 34.24 H new ATOM 0 HG21 ILE A 5 8.026 -5.504 1.014 1.00 42.01 H new ATOM 0 HG22 ILE A 5 9.406 -5.239 -0.077 1.00 42.01 H new ATOM 0 HG23 ILE A 5 8.967 -3.998 1.120 1.00 42.01 H new ATOM 0 HD11 ILE A 5 4.858 -3.917 1.491 1.00 60.32 H new ATOM 0 HD12 ILE A 5 5.330 -5.274 0.441 1.00 60.32 H new ATOM 0 HD13 ILE A 5 6.370 -4.800 1.806 1.00 60.32 H new ATOM 75 N LEU A 6 8.250 -4.099 -3.570 1.00 52.51 N ATOM 76 CA LEU A 6 8.750 -4.753 -4.774 1.00 73.02 C ATOM 77 C LEU A 6 9.007 -3.735 -5.880 1.00 45.13 C ATOM 78 O LEU A 6 8.844 -2.531 -5.680 1.00 60.33 O ATOM 79 CB LEU A 6 7.751 -5.807 -5.258 1.00 4.54 C ATOM 80 CG LEU A 6 8.067 -7.254 -4.879 1.00 0.12 C ATOM 81 CD1 LEU A 6 8.405 -7.357 -3.400 1.00 31.14 C ATOM 82 CD2 LEU A 6 6.897 -8.163 -5.225 1.00 71.11 C ATOM 0 H LEU A 6 7.239 -3.962 -3.553 1.00 52.51 H new ATOM 0 HA LEU A 6 9.693 -5.241 -4.528 1.00 73.02 H new ATOM 0 HB2 LEU A 6 6.767 -5.555 -4.862 1.00 4.54 H new ATOM 0 HB3 LEU A 6 7.683 -5.743 -6.344 1.00 4.54 H new ATOM 0 HG LEU A 6 8.935 -7.578 -5.452 1.00 0.12 H new ATOM 0 HD11 LEU A 6 8.627 -8.394 -3.149 1.00 31.14 H new ATOM 0 HD12 LEU A 6 9.274 -6.737 -3.181 1.00 31.14 H new ATOM 0 HD13 LEU A 6 7.556 -7.014 -2.808 1.00 31.14 H new ATOM 0 HD21 LEU A 6 7.139 -9.189 -4.948 1.00 71.11 H new ATOM 0 HD22 LEU A 6 6.011 -7.840 -4.679 1.00 71.11 H new ATOM 0 HD23 LEU A 6 6.701 -8.112 -6.296 1.00 71.11 H new ATOM 94 N SER A 7 9.409 -4.226 -7.048 1.00 63.41 N ATOM 95 CA SER A 7 9.691 -3.359 -8.186 1.00 61.31 C ATOM 96 C SER A 7 8.748 -3.662 -9.346 1.00 53.23 C ATOM 97 O SER A 7 8.710 -4.782 -9.854 1.00 34.32 O ATOM 98 CB SER A 7 11.143 -3.530 -8.637 1.00 1.11 C ATOM 99 OG SER A 7 12.039 -2.955 -7.701 1.00 34.41 O ATOM 0 H SER A 7 9.547 -5.220 -7.231 1.00 63.41 H new ATOM 0 HA SER A 7 9.534 -2.327 -7.873 1.00 61.31 H new ATOM 0 HB2 SER A 7 11.368 -4.590 -8.756 1.00 1.11 H new ATOM 0 HB3 SER A 7 11.282 -3.063 -9.612 1.00 1.11 H new ATOM 0 HG SER A 7 12.960 -3.079 -8.011 1.00 34.41 H new ATOM 105 N ALA A 8 7.987 -2.654 -9.761 1.00 4.43 N ATOM 106 CA ALA A 8 7.045 -2.810 -10.862 1.00 1.32 C ATOM 107 C ALA A 8 7.749 -3.303 -12.121 1.00 44.23 C ATOM 108 O ALA A 8 7.150 -3.982 -12.955 1.00 21.42 O ATOM 109 CB ALA A 8 6.330 -1.495 -11.135 1.00 41.21 C ATOM 0 H ALA A 8 8.005 -1.720 -9.351 1.00 4.43 H new ATOM 0 HA ALA A 8 6.307 -3.559 -10.573 1.00 1.32 H new ATOM 0 HB1 ALA A 8 5.629 -1.626 -11.960 1.00 41.21 H new ATOM 0 HB2 ALA A 8 5.786 -1.184 -10.243 1.00 41.21 H new ATOM 0 HB3 ALA A 8 7.061 -0.731 -11.398 1.00 41.21 H new ATOM 115 N LYS A 9 9.025 -2.956 -12.255 1.00 0.25 N ATOM 116 CA LYS A 9 9.812 -3.363 -13.412 1.00 64.21 C ATOM 117 C LYS A 9 10.204 -4.834 -13.313 1.00 61.14 C ATOM 118 O LYS A 9 10.561 -5.459 -14.312 1.00 70.50 O ATOM 119 CB LYS A 9 11.068 -2.497 -13.531 1.00 3.10 C ATOM 120 CG LYS A 9 11.530 -2.288 -14.963 1.00 14.41 C ATOM 121 CD LYS A 9 10.709 -1.217 -15.662 1.00 42.41 C ATOM 122 CE LYS A 9 11.432 -0.670 -16.884 1.00 11.12 C ATOM 123 NZ LYS A 9 10.682 0.451 -17.516 1.00 62.44 N ATOM 0 H LYS A 9 9.536 -2.393 -11.575 1.00 0.25 H new ATOM 0 HA LYS A 9 9.199 -3.227 -14.303 1.00 64.21 H new ATOM 0 HB2 LYS A 9 10.874 -1.526 -13.075 1.00 3.10 H new ATOM 0 HB3 LYS A 9 11.874 -2.961 -12.962 1.00 3.10 H new ATOM 0 HG2 LYS A 9 12.582 -2.003 -14.969 1.00 14.41 H new ATOM 0 HG3 LYS A 9 11.450 -3.226 -15.513 1.00 14.41 H new ATOM 0 HD2 LYS A 9 9.747 -1.633 -15.963 1.00 42.41 H new ATOM 0 HD3 LYS A 9 10.502 -0.404 -14.966 1.00 42.41 H new ATOM 0 HE2 LYS A 9 12.425 -0.325 -16.595 1.00 11.12 H new ATOM 0 HE3 LYS A 9 11.572 -1.469 -17.612 1.00 11.12 H new ATOM 0 HZ1 LYS A 9 11.207 0.796 -18.345 1.00 62.44 H new ATOM 0 HZ2 LYS A 9 9.744 0.116 -17.815 1.00 62.44 H new ATOM 0 HZ3 LYS A 9 10.571 1.225 -16.830 1.00 62.44 H new ATOM 137 N ASP A 10 10.134 -5.380 -12.105 1.00 34.44 N ATOM 138 CA ASP A 10 10.478 -6.779 -11.876 1.00 44.23 C ATOM 139 C ASP A 10 9.222 -7.630 -11.721 1.00 0.13 C ATOM 140 O ASP A 10 9.244 -8.837 -11.965 1.00 0.35 O ATOM 141 CB ASP A 10 11.358 -6.913 -10.632 1.00 14.10 C ATOM 142 CG ASP A 10 12.534 -5.957 -10.649 1.00 1.24 C ATOM 143 OD1 ASP A 10 12.845 -5.419 -11.731 1.00 43.53 O ATOM 144 OD2 ASP A 10 13.144 -5.747 -9.579 1.00 21.41 O ATOM 0 H ASP A 10 9.842 -4.875 -11.268 1.00 34.44 H new ATOM 0 HA ASP A 10 11.032 -7.138 -12.743 1.00 44.23 H new ATOM 0 HB2 ASP A 10 10.756 -6.727 -9.743 1.00 14.10 H new ATOM 0 HB3 ASP A 10 11.726 -7.936 -10.560 1.00 14.10 H new ATOM 149 N ILE A 11 8.129 -6.994 -11.313 1.00 4.55 N ATOM 150 CA ILE A 11 6.864 -7.692 -11.124 1.00 62.55 C ATOM 151 C ILE A 11 6.245 -8.079 -12.464 1.00 1.45 C ATOM 152 O ILE A 11 5.838 -9.222 -12.663 1.00 20.51 O ATOM 153 CB ILE A 11 5.858 -6.834 -10.335 1.00 44.33 C ATOM 154 CG1 ILE A 11 6.394 -6.542 -8.932 1.00 21.51 C ATOM 155 CG2 ILE A 11 4.510 -7.534 -10.259 1.00 12.43 C ATOM 156 CD1 ILE A 11 5.884 -5.244 -8.348 1.00 1.40 C ATOM 0 H ILE A 11 8.094 -5.996 -11.107 1.00 4.55 H new ATOM 0 HA ILE A 11 7.084 -8.594 -10.553 1.00 62.55 H new ATOM 0 HB ILE A 11 5.723 -5.886 -10.856 1.00 44.33 H new ATOM 0 HG12 ILE A 11 6.119 -7.362 -8.269 1.00 21.51 H new ATOM 0 HG13 ILE A 11 7.483 -6.512 -8.967 1.00 21.51 H new ATOM 0 HG21 ILE A 11 3.810 -6.915 -9.698 1.00 12.43 H new ATOM 0 HG22 ILE A 11 4.126 -7.695 -11.266 1.00 12.43 H new ATOM 0 HG23 ILE A 11 4.627 -8.495 -9.758 1.00 12.43 H new ATOM 0 HD11 ILE A 11 6.305 -5.103 -7.353 1.00 1.40 H new ATOM 0 HD12 ILE A 11 6.182 -4.415 -8.989 1.00 1.40 H new ATOM 0 HD13 ILE A 11 4.797 -5.278 -8.280 1.00 1.40 H new ATOM 168 N GLU A 12 6.180 -7.116 -13.378 1.00 75.34 N ATOM 169 CA GLU A 12 5.611 -7.357 -14.699 1.00 51.35 C ATOM 170 C GLU A 12 6.481 -8.322 -15.499 1.00 22.11 C ATOM 171 O GLU A 12 6.009 -8.975 -16.430 1.00 3.41 O ATOM 172 CB GLU A 12 5.460 -6.039 -15.462 1.00 14.44 C ATOM 173 CG GLU A 12 4.416 -5.108 -14.867 1.00 2.12 C ATOM 174 CD GLU A 12 4.052 -3.968 -15.798 1.00 61.25 C ATOM 175 OE1 GLU A 12 4.049 -4.186 -17.028 1.00 71.13 O ATOM 176 OE2 GLU A 12 3.771 -2.859 -15.298 1.00 72.25 O ATOM 0 H GLU A 12 6.513 -6.164 -13.229 1.00 75.34 H new ATOM 0 HA GLU A 12 4.627 -7.807 -14.565 1.00 51.35 H new ATOM 0 HB2 GLU A 12 6.422 -5.527 -15.481 1.00 14.44 H new ATOM 0 HB3 GLU A 12 5.194 -6.256 -16.496 1.00 14.44 H new ATOM 0 HG2 GLU A 12 3.518 -5.679 -14.630 1.00 2.12 H new ATOM 0 HG3 GLU A 12 4.791 -4.700 -13.929 1.00 2.12 H new ATOM 183 N SER A 13 7.755 -8.407 -15.129 1.00 10.34 N ATOM 184 CA SER A 13 8.693 -9.288 -15.813 1.00 62.41 C ATOM 185 C SER A 13 8.600 -10.710 -15.267 1.00 3.12 C ATOM 186 O SER A 13 9.266 -11.620 -15.759 1.00 73.50 O ATOM 187 CB SER A 13 10.122 -8.764 -15.661 1.00 43.02 C ATOM 188 OG SER A 13 10.309 -7.571 -16.402 1.00 41.43 O ATOM 0 H SER A 13 8.161 -7.876 -14.359 1.00 10.34 H new ATOM 0 HA SER A 13 8.431 -9.305 -16.871 1.00 62.41 H new ATOM 0 HB2 SER A 13 10.335 -8.579 -14.608 1.00 43.02 H new ATOM 0 HB3 SER A 13 10.828 -9.521 -16.001 1.00 43.02 H new ATOM 0 HG SER A 13 10.401 -6.814 -15.786 1.00 41.43 H new ATOM 194 N ALA A 14 7.769 -10.891 -14.245 1.00 65.34 N ATOM 195 CA ALA A 14 7.587 -12.201 -13.633 1.00 31.15 C ATOM 196 C ALA A 14 6.153 -12.691 -13.802 1.00 30.41 C ATOM 197 O ALA A 14 5.881 -13.890 -13.715 1.00 3.32 O ATOM 198 CB ALA A 14 7.959 -12.150 -12.158 1.00 72.30 C ATOM 0 H ALA A 14 7.212 -10.147 -13.824 1.00 65.34 H new ATOM 0 HA ALA A 14 8.246 -12.906 -14.139 1.00 31.15 H new ATOM 0 HB1 ALA A 14 7.818 -13.135 -11.713 1.00 72.30 H new ATOM 0 HB2 ALA A 14 9.002 -11.851 -12.056 1.00 72.30 H new ATOM 0 HB3 ALA A 14 7.323 -11.427 -11.647 1.00 72.30 H new ATOM 204 N LEU A 15 5.238 -11.759 -14.043 1.00 45.34 N ATOM 205 CA LEU A 15 3.831 -12.096 -14.224 1.00 72.04 C ATOM 206 C LEU A 15 3.649 -13.070 -15.384 1.00 21.42 C ATOM 207 O LEU A 15 2.778 -13.939 -15.347 1.00 31.22 O ATOM 208 CB LEU A 15 3.011 -10.829 -14.474 1.00 75.35 C ATOM 209 CG LEU A 15 2.420 -10.157 -13.235 1.00 15.21 C ATOM 210 CD1 LEU A 15 2.108 -8.695 -13.518 1.00 22.32 C ATOM 211 CD2 LEU A 15 1.169 -10.891 -12.775 1.00 34.10 C ATOM 0 H LEU A 15 5.446 -10.763 -14.118 1.00 45.34 H new ATOM 0 HA LEU A 15 3.478 -12.576 -13.312 1.00 72.04 H new ATOM 0 HB2 LEU A 15 3.644 -10.106 -14.988 1.00 75.35 H new ATOM 0 HB3 LEU A 15 2.195 -11.077 -15.153 1.00 75.35 H new ATOM 0 HG LEU A 15 3.158 -10.202 -12.435 1.00 15.21 H new ATOM 0 HD11 LEU A 15 1.688 -8.233 -12.625 1.00 22.32 H new ATOM 0 HD12 LEU A 15 3.024 -8.175 -13.799 1.00 22.32 H new ATOM 0 HD13 LEU A 15 1.388 -8.628 -14.334 1.00 22.32 H new ATOM 0 HD21 LEU A 15 0.762 -10.398 -11.892 1.00 34.10 H new ATOM 0 HD22 LEU A 15 0.426 -10.878 -13.572 1.00 34.10 H new ATOM 0 HD23 LEU A 15 1.422 -11.923 -12.531 1.00 34.10 H new ATOM 223 N SER A 16 4.479 -12.921 -16.411 1.00 53.24 N ATOM 224 CA SER A 16 4.409 -13.787 -17.583 1.00 13.53 C ATOM 225 C SER A 16 5.637 -14.688 -17.666 1.00 51.34 C ATOM 226 O SER A 16 5.825 -15.410 -18.645 1.00 42.23 O ATOM 227 CB SER A 16 4.290 -12.948 -18.857 1.00 12.23 C ATOM 228 OG SER A 16 3.741 -13.709 -19.919 1.00 2.42 O ATOM 0 H SER A 16 5.208 -12.209 -16.456 1.00 53.24 H new ATOM 0 HA SER A 16 3.524 -14.416 -17.487 1.00 13.53 H new ATOM 0 HB2 SER A 16 3.662 -12.078 -18.666 1.00 12.23 H new ATOM 0 HB3 SER A 16 5.273 -12.574 -19.143 1.00 12.23 H new ATOM 0 HG SER A 16 4.161 -14.594 -19.938 1.00 2.42 H new ATOM 234 N SER A 17 6.470 -14.639 -16.632 1.00 21.42 N ATOM 235 CA SER A 17 7.683 -15.448 -16.589 1.00 12.13 C ATOM 236 C SER A 17 7.348 -16.934 -16.668 1.00 70.34 C ATOM 237 O SER A 17 7.800 -17.636 -17.574 1.00 51.11 O ATOM 238 CB SER A 17 8.469 -15.159 -15.308 1.00 53.43 C ATOM 239 OG SER A 17 9.106 -16.329 -14.825 1.00 54.34 O ATOM 0 H SER A 17 6.328 -14.048 -15.813 1.00 21.42 H new ATOM 0 HA SER A 17 8.296 -15.185 -17.451 1.00 12.13 H new ATOM 0 HB2 SER A 17 9.215 -14.389 -15.502 1.00 53.43 H new ATOM 0 HB3 SER A 17 7.796 -14.766 -14.546 1.00 53.43 H new ATOM 0 HG SER A 17 8.477 -16.841 -14.275 1.00 54.34 H new ATOM 245 N CYS A 18 6.554 -17.407 -15.715 1.00 15.04 N ATOM 246 CA CYS A 18 6.158 -18.810 -15.675 1.00 33.40 C ATOM 247 C CYS A 18 4.821 -19.018 -16.379 1.00 34.24 C ATOM 248 O CYS A 18 4.006 -19.836 -15.953 1.00 15.02 O ATOM 249 CB CYS A 18 6.067 -19.296 -14.227 1.00 51.55 C ATOM 250 SG CYS A 18 7.500 -18.864 -13.213 1.00 0.20 S ATOM 0 H CYS A 18 6.171 -16.839 -14.959 1.00 15.04 H new ATOM 0 HA CYS A 18 6.918 -19.391 -16.198 1.00 33.40 H new ATOM 0 HB2 CYS A 18 5.171 -18.876 -13.769 1.00 51.55 H new ATOM 0 HB3 CYS A 18 5.947 -20.379 -14.225 1.00 51.55 H new ATOM 0 HG CYS A 18 8.215 -19.928 -12.996 1.00 0.20 H new ATOM 256 N GLN A 19 4.603 -18.271 -17.456 1.00 75.32 N ATOM 257 CA GLN A 19 3.363 -18.373 -18.217 1.00 52.41 C ATOM 258 C GLN A 19 3.642 -18.769 -19.663 1.00 23.41 C ATOM 259 O GLN A 19 2.823 -18.535 -20.551 1.00 31.05 O ATOM 260 CB GLN A 19 2.606 -17.044 -18.178 1.00 35.13 C ATOM 261 CG GLN A 19 2.278 -16.572 -16.770 1.00 75.33 C ATOM 262 CD GLN A 19 1.136 -17.350 -16.145 1.00 51.34 C ATOM 263 OE1 GLN A 19 0.065 -17.486 -16.737 1.00 52.25 O ATOM 264 NE2 GLN A 19 1.359 -17.865 -14.942 1.00 61.22 N ATOM 0 H GLN A 19 5.268 -17.589 -17.821 1.00 75.32 H new ATOM 0 HA GLN A 19 2.748 -19.148 -17.759 1.00 52.41 H new ATOM 0 HB2 GLN A 19 3.202 -16.281 -18.678 1.00 35.13 H new ATOM 0 HB3 GLN A 19 1.680 -17.146 -18.743 1.00 35.13 H new ATOM 0 HG2 GLN A 19 3.164 -16.668 -16.143 1.00 75.33 H new ATOM 0 HG3 GLN A 19 2.020 -15.513 -16.797 1.00 75.33 H new ATOM 0 HE21 GLN A 19 2.262 -17.728 -14.488 1.00 61.22 H new ATOM 0 HE22 GLN A 19 0.627 -18.398 -14.472 1.00 61.22 H new ATOM 273 N ALA A 20 4.805 -19.371 -19.892 1.00 31.31 N ATOM 274 CA ALA A 20 5.192 -19.802 -21.230 1.00 34.14 C ATOM 275 C ALA A 20 5.554 -21.283 -21.246 1.00 72.31 C ATOM 276 O ALA A 20 5.408 -21.979 -20.241 1.00 51.24 O ATOM 277 CB ALA A 20 6.357 -18.966 -21.737 1.00 22.00 C ATOM 0 H ALA A 20 5.495 -19.571 -19.168 1.00 31.31 H new ATOM 0 HA ALA A 20 4.339 -19.656 -21.893 1.00 34.14 H new ATOM 0 HB1 ALA A 20 6.636 -19.299 -22.737 1.00 22.00 H new ATOM 0 HB2 ALA A 20 6.064 -17.917 -21.772 1.00 22.00 H new ATOM 0 HB3 ALA A 20 7.208 -19.083 -21.066 1.00 22.00 H new ATOM 283 N ALA A 21 6.026 -21.759 -22.393 1.00 70.55 N ATOM 284 CA ALA A 21 6.410 -23.158 -22.540 1.00 1.12 C ATOM 285 C ALA A 21 7.662 -23.471 -21.727 1.00 34.42 C ATOM 286 O ALA A 21 8.783 -23.321 -22.213 1.00 32.23 O ATOM 287 CB ALA A 21 6.634 -23.493 -24.007 1.00 32.10 C ATOM 0 H ALA A 21 6.152 -21.197 -23.235 1.00 70.55 H new ATOM 0 HA ALA A 21 5.596 -23.775 -22.158 1.00 1.12 H new ATOM 0 HB1 ALA A 21 6.920 -24.541 -24.101 1.00 32.10 H new ATOM 0 HB2 ALA A 21 5.715 -23.316 -24.565 1.00 32.10 H new ATOM 0 HB3 ALA A 21 7.428 -22.863 -24.407 1.00 32.10 H new ATOM 293 N ASP A 22 7.463 -23.907 -20.488 1.00 14.44 N ATOM 294 CA ASP A 22 8.576 -24.242 -19.607 1.00 14.30 C ATOM 295 C ASP A 22 9.592 -23.105 -19.559 1.00 13.23 C ATOM 296 O ASP A 22 10.775 -23.305 -19.830 1.00 44.04 O ATOM 297 CB ASP A 22 9.255 -25.530 -20.075 1.00 53.45 C ATOM 298 CG ASP A 22 8.317 -26.720 -20.051 1.00 71.51 C ATOM 299 OD1 ASP A 22 7.380 -26.756 -20.877 1.00 2.43 O ATOM 300 OD2 ASP A 22 8.520 -27.618 -19.207 1.00 50.10 O ATOM 0 H ASP A 22 6.541 -24.037 -20.071 1.00 14.44 H new ATOM 0 HA ASP A 22 8.180 -24.394 -18.603 1.00 14.30 H new ATOM 0 HB2 ASP A 22 9.634 -25.390 -21.087 1.00 53.45 H new ATOM 0 HB3 ASP A 22 10.115 -25.736 -19.438 1.00 53.45 H new ATOM 305 N SER A 23 9.121 -21.911 -19.212 1.00 75.20 N ATOM 306 CA SER A 23 9.987 -20.741 -19.133 1.00 51.00 C ATOM 307 C SER A 23 10.648 -20.646 -17.761 1.00 55.21 C ATOM 308 O SER A 23 11.756 -20.128 -17.628 1.00 4.32 O ATOM 309 CB SER A 23 9.187 -19.468 -19.416 1.00 0.11 C ATOM 310 OG SER A 23 9.868 -18.321 -18.937 1.00 51.14 O ATOM 0 H SER A 23 8.144 -21.729 -18.981 1.00 75.20 H new ATOM 0 HA SER A 23 10.768 -20.846 -19.886 1.00 51.00 H new ATOM 0 HB2 SER A 23 9.017 -19.372 -20.488 1.00 0.11 H new ATOM 0 HB3 SER A 23 8.208 -19.537 -18.943 1.00 0.11 H new ATOM 0 HG SER A 23 9.420 -17.987 -18.132 1.00 51.14 H new ATOM 316 N PHE A 24 9.958 -21.150 -16.743 1.00 52.31 N ATOM 317 CA PHE A 24 10.476 -21.121 -15.380 1.00 73.32 C ATOM 318 C PHE A 24 11.783 -21.902 -15.279 1.00 32.14 C ATOM 319 O PHE A 24 11.794 -23.065 -14.879 1.00 74.51 O ATOM 320 CB PHE A 24 9.446 -21.701 -14.408 1.00 54.24 C ATOM 321 CG PHE A 24 9.882 -21.652 -12.972 1.00 45.32 C ATOM 322 CD1 PHE A 24 10.446 -20.501 -12.445 1.00 22.12 C ATOM 323 CD2 PHE A 24 9.729 -22.756 -12.149 1.00 51.24 C ATOM 324 CE1 PHE A 24 10.850 -20.454 -11.124 1.00 12.42 C ATOM 325 CE2 PHE A 24 10.130 -22.714 -10.827 1.00 62.13 C ATOM 326 CZ PHE A 24 10.690 -21.561 -10.314 1.00 24.03 C ATOM 0 H PHE A 24 9.039 -21.583 -16.836 1.00 52.31 H new ATOM 0 HA PHE A 24 10.672 -20.082 -15.114 1.00 73.32 H new ATOM 0 HB2 PHE A 24 8.510 -21.153 -14.514 1.00 54.24 H new ATOM 0 HB3 PHE A 24 9.242 -22.736 -14.682 1.00 54.24 H new ATOM 0 HD1 PHE A 24 10.571 -19.631 -13.073 1.00 22.12 H new ATOM 0 HD2 PHE A 24 9.291 -23.660 -12.545 1.00 51.24 H new ATOM 0 HE1 PHE A 24 11.291 -19.552 -10.725 1.00 12.42 H new ATOM 0 HE2 PHE A 24 10.005 -23.582 -10.196 1.00 62.13 H new ATOM 0 HZ PHE A 24 11.002 -21.525 -9.281 1.00 24.03 H new ATOM 336 N ASN A 25 12.883 -21.252 -15.644 1.00 61.33 N ATOM 337 CA ASN A 25 14.196 -21.885 -15.596 1.00 21.21 C ATOM 338 C ASN A 25 15.077 -21.230 -14.537 1.00 3.51 C ATOM 339 O ASN A 25 14.736 -20.178 -13.994 1.00 71.43 O ATOM 340 CB ASN A 25 14.876 -21.802 -16.964 1.00 21.10 C ATOM 341 CG ASN A 25 15.972 -22.838 -17.129 1.00 12.52 C ATOM 342 OD1 ASN A 25 15.839 -23.976 -16.679 1.00 14.55 O ATOM 343 ND2 ASN A 25 17.063 -22.446 -17.777 1.00 32.12 N ATOM 0 H ASN A 25 12.891 -20.288 -15.976 1.00 61.33 H new ATOM 0 HA ASN A 25 14.057 -22.933 -15.330 1.00 21.21 H new ATOM 0 HB2 ASN A 25 14.130 -21.939 -17.747 1.00 21.10 H new ATOM 0 HB3 ASN A 25 15.298 -20.806 -17.097 1.00 21.10 H new ATOM 0 HD21 ASN A 25 17.834 -23.098 -17.919 1.00 32.12 H new ATOM 0 HD22 ASN A 25 17.130 -21.492 -18.133 1.00 32.12 H new ATOM 350 N TYR A 26 16.212 -21.857 -14.249 1.00 0.15 N ATOM 351 CA TYR A 26 17.142 -21.336 -13.253 1.00 52.05 C ATOM 352 C TYR A 26 17.454 -19.866 -13.517 1.00 22.04 C ATOM 353 O TYR A 26 17.725 -19.101 -12.591 1.00 12.41 O ATOM 354 CB TYR A 26 18.435 -22.152 -13.257 1.00 23.31 C ATOM 355 CG TYR A 26 19.298 -21.915 -14.476 1.00 31.02 C ATOM 356 CD1 TYR A 26 20.242 -20.896 -14.496 1.00 13.42 C ATOM 357 CD2 TYR A 26 19.170 -22.711 -15.607 1.00 73.23 C ATOM 358 CE1 TYR A 26 21.031 -20.675 -15.608 1.00 2.14 C ATOM 359 CE2 TYR A 26 19.956 -22.499 -16.723 1.00 40.32 C ATOM 360 CZ TYR A 26 20.885 -21.479 -16.719 1.00 31.14 C ATOM 361 OH TYR A 26 21.671 -21.263 -17.828 1.00 35.34 O ATOM 0 H TYR A 26 16.511 -22.727 -14.691 1.00 0.15 H new ATOM 0 HA TYR A 26 16.671 -21.419 -12.273 1.00 52.05 H new ATOM 0 HB2 TYR A 26 19.010 -21.910 -12.363 1.00 23.31 H new ATOM 0 HB3 TYR A 26 18.186 -23.212 -13.199 1.00 23.31 H new ATOM 0 HD1 TYR A 26 20.361 -20.266 -13.627 1.00 13.42 H new ATOM 0 HD2 TYR A 26 18.443 -23.510 -15.614 1.00 73.23 H new ATOM 0 HE1 TYR A 26 21.758 -19.877 -15.607 1.00 2.14 H new ATOM 0 HE2 TYR A 26 19.844 -23.128 -17.594 1.00 40.32 H new ATOM 0 HH TYR A 26 21.444 -21.916 -18.522 1.00 35.34 H new ATOM 371 N LYS A 27 17.414 -19.478 -14.787 1.00 2.33 N ATOM 372 CA LYS A 27 17.691 -18.100 -15.175 1.00 55.21 C ATOM 373 C LYS A 27 16.543 -17.180 -14.770 1.00 5.35 C ATOM 374 O LYS A 27 16.761 -16.132 -14.162 1.00 1.41 O ATOM 375 CB LYS A 27 17.921 -18.010 -16.685 1.00 74.24 C ATOM 376 CG LYS A 27 19.349 -18.315 -17.102 1.00 41.21 C ATOM 377 CD LYS A 27 19.710 -17.620 -18.404 1.00 62.13 C ATOM 378 CE LYS A 27 19.226 -18.410 -19.610 1.00 65.55 C ATOM 379 NZ LYS A 27 19.117 -17.557 -20.826 1.00 10.44 N ATOM 0 H LYS A 27 17.192 -20.099 -15.565 1.00 2.33 H new ATOM 0 HA LYS A 27 18.594 -17.777 -14.656 1.00 55.21 H new ATOM 0 HB2 LYS A 27 17.248 -18.704 -17.188 1.00 74.24 H new ATOM 0 HB3 LYS A 27 17.658 -17.008 -17.025 1.00 74.24 H new ATOM 0 HG2 LYS A 27 20.034 -17.997 -16.316 1.00 41.21 H new ATOM 0 HG3 LYS A 27 19.473 -19.392 -17.217 1.00 41.21 H new ATOM 0 HD2 LYS A 27 19.269 -16.623 -18.420 1.00 62.13 H new ATOM 0 HD3 LYS A 27 20.791 -17.492 -18.462 1.00 62.13 H new ATOM 0 HE2 LYS A 27 19.914 -19.233 -19.804 1.00 65.55 H new ATOM 0 HE3 LYS A 27 18.255 -18.852 -19.388 1.00 65.55 H new ATOM 0 HZ1 LYS A 27 18.784 -18.133 -21.625 1.00 10.44 H new ATOM 0 HZ2 LYS A 27 18.442 -16.786 -20.650 1.00 10.44 H new ATOM 0 HZ3 LYS A 27 20.049 -17.155 -21.053 1.00 10.44 H new ATOM 393 N SER A 28 15.322 -17.580 -15.108 1.00 50.55 N ATOM 394 CA SER A 28 14.141 -16.789 -14.781 1.00 72.44 C ATOM 395 C SER A 28 14.056 -16.535 -13.279 1.00 62.05 C ATOM 396 O SER A 28 13.613 -15.473 -12.842 1.00 72.01 O ATOM 397 CB SER A 28 12.875 -17.503 -15.261 1.00 42.55 C ATOM 398 OG SER A 28 11.847 -16.573 -15.556 1.00 33.22 O ATOM 0 H SER A 28 15.124 -18.447 -15.608 1.00 50.55 H new ATOM 0 HA SER A 28 14.224 -15.829 -15.290 1.00 72.44 H new ATOM 0 HB2 SER A 28 13.101 -18.094 -16.149 1.00 42.55 H new ATOM 0 HB3 SER A 28 12.532 -18.198 -14.494 1.00 42.55 H new ATOM 0 HG SER A 28 11.025 -16.835 -15.091 1.00 33.22 H new ATOM 404 N PHE A 29 14.485 -17.518 -12.494 1.00 52.33 N ATOM 405 CA PHE A 29 14.457 -17.402 -11.041 1.00 22.31 C ATOM 406 C PHE A 29 15.309 -16.226 -10.572 1.00 71.14 C ATOM 407 O PHE A 29 15.068 -15.656 -9.508 1.00 44.10 O ATOM 408 CB PHE A 29 14.956 -18.697 -10.396 1.00 1.13 C ATOM 409 CG PHE A 29 15.010 -18.637 -8.896 1.00 34.22 C ATOM 410 CD1 PHE A 29 16.095 -18.068 -8.250 1.00 42.32 C ATOM 411 CD2 PHE A 29 13.974 -19.151 -8.132 1.00 25.35 C ATOM 412 CE1 PHE A 29 16.147 -18.011 -6.870 1.00 44.21 C ATOM 413 CE2 PHE A 29 14.021 -19.097 -6.751 1.00 50.13 C ATOM 414 CZ PHE A 29 15.109 -18.527 -6.120 1.00 23.12 C ATOM 0 H PHE A 29 14.856 -18.403 -12.840 1.00 52.33 H new ATOM 0 HA PHE A 29 13.426 -17.225 -10.735 1.00 22.31 H new ATOM 0 HB2 PHE A 29 14.304 -19.518 -10.696 1.00 1.13 H new ATOM 0 HB3 PHE A 29 15.951 -18.924 -10.779 1.00 1.13 H new ATOM 0 HD1 PHE A 29 16.910 -17.664 -8.832 1.00 42.32 H new ATOM 0 HD2 PHE A 29 13.121 -19.598 -8.620 1.00 25.35 H new ATOM 0 HE1 PHE A 29 16.998 -17.563 -6.379 1.00 44.21 H new ATOM 0 HE2 PHE A 29 13.207 -19.500 -6.166 1.00 50.13 H new ATOM 0 HZ PHE A 29 15.148 -18.485 -5.042 1.00 23.12 H new ATOM 424 N PHE A 30 16.306 -15.869 -11.375 1.00 1.21 N ATOM 425 CA PHE A 30 17.195 -14.762 -11.043 1.00 5.11 C ATOM 426 C PHE A 30 16.556 -13.424 -11.402 1.00 40.23 C ATOM 427 O PHE A 30 16.715 -12.435 -10.686 1.00 71.40 O ATOM 428 CB PHE A 30 18.530 -14.915 -11.775 1.00 63.11 C ATOM 429 CG PHE A 30 19.196 -16.240 -11.537 1.00 21.14 C ATOM 430 CD1 PHE A 30 19.045 -16.898 -10.327 1.00 24.42 C ATOM 431 CD2 PHE A 30 19.973 -16.827 -12.522 1.00 63.12 C ATOM 432 CE1 PHE A 30 19.657 -18.118 -10.104 1.00 75.12 C ATOM 433 CE2 PHE A 30 20.586 -18.047 -12.306 1.00 4.45 C ATOM 434 CZ PHE A 30 20.429 -18.692 -11.095 1.00 31.33 C ATOM 0 H PHE A 30 16.518 -16.330 -12.260 1.00 1.21 H new ATOM 0 HA PHE A 30 17.373 -14.782 -9.968 1.00 5.11 H new ATOM 0 HB2 PHE A 30 18.365 -14.787 -12.845 1.00 63.11 H new ATOM 0 HB3 PHE A 30 19.202 -14.117 -11.458 1.00 63.11 H new ATOM 0 HD1 PHE A 30 18.442 -16.453 -9.549 1.00 24.42 H new ATOM 0 HD2 PHE A 30 20.101 -16.326 -13.470 1.00 63.12 H new ATOM 0 HE1 PHE A 30 19.531 -18.621 -9.157 1.00 75.12 H new ATOM 0 HE2 PHE A 30 21.187 -18.495 -13.083 1.00 4.45 H new ATOM 0 HZ PHE A 30 20.909 -19.644 -10.923 1.00 31.33 H new ATOM 444 N SER A 31 15.833 -13.401 -12.517 1.00 51.13 N ATOM 445 CA SER A 31 15.173 -12.184 -12.975 1.00 74.03 C ATOM 446 C SER A 31 13.801 -12.032 -12.325 1.00 30.43 C ATOM 447 O SER A 31 13.049 -11.109 -12.640 1.00 21.32 O ATOM 448 CB SER A 31 15.028 -12.199 -14.498 1.00 45.03 C ATOM 449 OG SER A 31 15.842 -11.206 -15.097 1.00 43.54 O ATOM 0 H SER A 31 15.689 -14.211 -13.120 1.00 51.13 H new ATOM 0 HA SER A 31 15.791 -11.334 -12.684 1.00 74.03 H new ATOM 0 HB2 SER A 31 15.304 -13.181 -14.883 1.00 45.03 H new ATOM 0 HB3 SER A 31 13.986 -12.031 -14.769 1.00 45.03 H new ATOM 0 HG SER A 31 15.733 -11.237 -16.070 1.00 43.54 H new ATOM 455 N THR A 32 13.481 -12.946 -11.414 1.00 34.32 N ATOM 456 CA THR A 32 12.200 -12.917 -10.719 1.00 10.42 C ATOM 457 C THR A 32 11.937 -11.544 -10.110 1.00 33.23 C ATOM 458 O THR A 32 12.863 -10.763 -9.891 1.00 34.03 O ATOM 459 CB THR A 32 12.140 -13.980 -9.606 1.00 0.32 C ATOM 460 OG1 THR A 32 12.622 -15.234 -10.100 1.00 70.21 O ATOM 461 CG2 THR A 32 10.718 -14.144 -9.091 1.00 21.33 C ATOM 0 H THR A 32 14.092 -13.716 -11.140 1.00 34.32 H new ATOM 0 HA THR A 32 11.432 -13.136 -11.461 1.00 10.42 H new ATOM 0 HB THR A 32 12.772 -13.648 -8.782 1.00 0.32 H new ATOM 0 HG1 THR A 32 13.375 -15.535 -9.550 1.00 70.21 H new ATOM 0 HG21 THR A 32 10.700 -14.900 -8.306 1.00 21.33 H new ATOM 0 HG22 THR A 32 10.365 -13.194 -8.689 1.00 21.33 H new ATOM 0 HG23 THR A 32 10.068 -14.455 -9.909 1.00 21.33 H new ATOM 469 N VAL A 33 10.668 -11.256 -9.837 1.00 71.32 N ATOM 470 CA VAL A 33 10.283 -9.978 -9.251 1.00 51.02 C ATOM 471 C VAL A 33 11.192 -9.613 -8.083 1.00 40.11 C ATOM 472 O VAL A 33 11.487 -8.440 -7.855 1.00 71.52 O ATOM 473 CB VAL A 33 8.822 -10.002 -8.763 1.00 3.43 C ATOM 474 CG1 VAL A 33 8.539 -11.279 -7.987 1.00 2.00 C ATOM 475 CG2 VAL A 33 8.525 -8.775 -7.913 1.00 61.23 C ATOM 0 H VAL A 33 9.889 -11.891 -10.013 1.00 71.32 H new ATOM 0 HA VAL A 33 10.384 -9.227 -10.034 1.00 51.02 H new ATOM 0 HB VAL A 33 8.166 -9.981 -9.633 1.00 3.43 H new ATOM 0 HG11 VAL A 33 7.502 -11.278 -7.650 1.00 2.00 H new ATOM 0 HG12 VAL A 33 8.711 -12.142 -8.631 1.00 2.00 H new ATOM 0 HG13 VAL A 33 9.201 -11.334 -7.123 1.00 2.00 H new ATOM 0 HG21 VAL A 33 7.489 -8.808 -7.576 1.00 61.23 H new ATOM 0 HG22 VAL A 33 9.187 -8.763 -7.047 1.00 61.23 H new ATOM 0 HG23 VAL A 33 8.686 -7.874 -8.505 1.00 61.23 H new ATOM 485 N GLY A 34 11.634 -10.627 -7.345 1.00 3.40 N ATOM 486 CA GLY A 34 12.506 -10.392 -6.209 1.00 3.01 C ATOM 487 C GLY A 34 11.933 -10.937 -4.916 1.00 0.22 C ATOM 488 O GLY A 34 12.668 -11.192 -3.961 1.00 61.50 O ATOM 0 H GLY A 34 11.404 -11.606 -7.514 1.00 3.40 H new ATOM 0 HA2 GLY A 34 13.475 -10.855 -6.397 1.00 3.01 H new ATOM 0 HA3 GLY A 34 12.679 -9.321 -6.103 1.00 3.01 H new ATOM 492 N LEU A 35 10.617 -11.114 -4.882 1.00 51.24 N ATOM 493 CA LEU A 35 9.944 -11.631 -3.695 1.00 43.54 C ATOM 494 C LEU A 35 10.576 -12.942 -3.239 1.00 1.42 C ATOM 495 O LEU A 35 10.877 -13.119 -2.059 1.00 22.24 O ATOM 496 CB LEU A 35 8.456 -11.840 -3.979 1.00 72.12 C ATOM 497 CG LEU A 35 7.486 -11.169 -3.006 1.00 20.32 C ATOM 498 CD1 LEU A 35 6.065 -11.655 -3.248 1.00 3.10 C ATOM 499 CD2 LEU A 35 7.905 -11.436 -1.567 1.00 53.32 C ATOM 0 H LEU A 35 9.994 -10.907 -5.663 1.00 51.24 H new ATOM 0 HA LEU A 35 10.055 -10.898 -2.896 1.00 43.54 H new ATOM 0 HB2 LEU A 35 8.243 -11.473 -4.983 1.00 72.12 H new ATOM 0 HB3 LEU A 35 8.254 -12.911 -3.981 1.00 72.12 H new ATOM 0 HG LEU A 35 7.514 -10.093 -3.179 1.00 20.32 H new ATOM 0 HD11 LEU A 35 5.389 -11.167 -2.546 1.00 3.10 H new ATOM 0 HD12 LEU A 35 5.766 -11.413 -4.268 1.00 3.10 H new ATOM 0 HD13 LEU A 35 6.020 -12.734 -3.103 1.00 3.10 H new ATOM 0 HD21 LEU A 35 7.204 -10.951 -0.888 1.00 53.32 H new ATOM 0 HD22 LEU A 35 7.906 -12.510 -1.382 1.00 53.32 H new ATOM 0 HD23 LEU A 35 8.906 -11.038 -1.400 1.00 53.32 H new ATOM 511 N SER A 36 10.776 -13.856 -4.182 1.00 60.33 N ATOM 512 CA SER A 36 11.371 -15.152 -3.877 1.00 31.12 C ATOM 513 C SER A 36 12.806 -14.989 -3.385 1.00 11.31 C ATOM 514 O SER A 36 13.374 -15.899 -2.781 1.00 43.44 O ATOM 515 CB SER A 36 11.343 -16.054 -5.112 1.00 51.13 C ATOM 516 OG SER A 36 11.711 -15.335 -6.277 1.00 34.12 O ATOM 0 H SER A 36 10.535 -13.723 -5.164 1.00 60.33 H new ATOM 0 HA SER A 36 10.784 -15.615 -3.084 1.00 31.12 H new ATOM 0 HB2 SER A 36 12.023 -16.893 -4.969 1.00 51.13 H new ATOM 0 HB3 SER A 36 10.344 -16.471 -5.239 1.00 51.13 H new ATOM 0 HG SER A 36 12.144 -15.942 -6.913 1.00 34.12 H new ATOM 522 N SER A 37 13.386 -13.822 -3.648 1.00 14.11 N ATOM 523 CA SER A 37 14.756 -13.539 -3.236 1.00 54.01 C ATOM 524 C SER A 37 14.798 -12.367 -2.260 1.00 24.43 C ATOM 525 O SER A 37 15.820 -11.694 -2.124 1.00 11.31 O ATOM 526 CB SER A 37 15.625 -13.232 -4.457 1.00 55.12 C ATOM 527 OG SER A 37 16.980 -13.567 -4.216 1.00 1.02 O ATOM 0 H SER A 37 12.928 -13.057 -4.144 1.00 14.11 H new ATOM 0 HA SER A 37 15.148 -14.423 -2.733 1.00 54.01 H new ATOM 0 HB2 SER A 37 15.257 -13.789 -5.318 1.00 55.12 H new ATOM 0 HB3 SER A 37 15.548 -12.174 -4.705 1.00 55.12 H new ATOM 0 HG SER A 37 17.514 -13.363 -5.012 1.00 1.02 H new ATOM 533 N LYS A 38 13.681 -12.130 -1.581 1.00 51.12 N ATOM 534 CA LYS A 38 13.588 -11.041 -0.616 1.00 22.23 C ATOM 535 C LYS A 38 13.973 -11.519 0.781 1.00 15.41 C ATOM 536 O LYS A 38 14.237 -12.702 0.994 1.00 61.55 O ATOM 537 CB LYS A 38 12.170 -10.467 -0.598 1.00 34.42 C ATOM 538 CG LYS A 38 11.984 -9.275 -1.520 1.00 61.13 C ATOM 539 CD LYS A 38 12.593 -8.014 -0.931 1.00 64.01 C ATOM 540 CE LYS A 38 12.874 -6.976 -2.007 1.00 5.24 C ATOM 541 NZ LYS A 38 14.315 -6.944 -2.384 1.00 74.21 N ATOM 0 H LYS A 38 12.827 -12.678 -1.681 1.00 51.12 H new ATOM 0 HA LYS A 38 14.285 -10.259 -0.919 1.00 22.23 H new ATOM 0 HB2 LYS A 38 11.467 -11.249 -0.883 1.00 34.42 H new ATOM 0 HB3 LYS A 38 11.920 -10.170 0.421 1.00 34.42 H new ATOM 0 HG2 LYS A 38 12.444 -9.486 -2.486 1.00 61.13 H new ATOM 0 HG3 LYS A 38 10.921 -9.116 -1.701 1.00 61.13 H new ATOM 0 HD2 LYS A 38 11.916 -7.595 -0.187 1.00 64.01 H new ATOM 0 HD3 LYS A 38 13.519 -8.263 -0.414 1.00 64.01 H new ATOM 0 HE2 LYS A 38 12.273 -7.195 -2.889 1.00 5.24 H new ATOM 0 HE3 LYS A 38 12.570 -5.992 -1.651 1.00 5.24 H new ATOM 0 HZ1 LYS A 38 14.466 -6.224 -3.119 1.00 74.21 H new ATOM 0 HZ2 LYS A 38 14.887 -6.710 -1.548 1.00 74.21 H new ATOM 0 HZ3 LYS A 38 14.599 -7.876 -2.748 1.00 74.21 H new ATOM 555 N THR A 39 14.000 -10.590 1.732 1.00 23.13 N ATOM 556 CA THR A 39 14.352 -10.916 3.109 1.00 73.14 C ATOM 557 C THR A 39 13.131 -11.386 3.891 1.00 13.33 C ATOM 558 O THR A 39 11.991 -11.047 3.572 1.00 11.23 O ATOM 559 CB THR A 39 14.976 -9.707 3.830 1.00 23.24 C ATOM 560 OG1 THR A 39 16.261 -10.060 4.355 1.00 43.14 O ATOM 561 CG2 THR A 39 14.077 -9.227 4.959 1.00 32.03 C ATOM 0 H THR A 39 13.782 -9.606 1.574 1.00 23.13 H new ATOM 0 HA THR A 39 15.085 -11.722 3.066 1.00 73.14 H new ATOM 0 HB THR A 39 15.088 -8.899 3.107 1.00 23.24 H new ATOM 0 HG1 THR A 39 16.652 -9.286 4.811 1.00 43.14 H new ATOM 0 HG21 THR A 39 14.539 -8.372 5.454 1.00 32.03 H new ATOM 0 HG22 THR A 39 13.109 -8.932 4.553 1.00 32.03 H new ATOM 0 HG23 THR A 39 13.938 -10.032 5.681 1.00 32.03 H new ATOM 569 N PRO A 40 13.371 -12.184 4.942 1.00 64.33 N ATOM 570 CA PRO A 40 12.303 -12.716 5.793 1.00 61.43 C ATOM 571 C PRO A 40 11.645 -11.634 6.642 1.00 71.23 C ATOM 572 O PRO A 40 11.856 -11.568 7.853 1.00 43.33 O ATOM 573 CB PRO A 40 13.030 -13.727 6.684 1.00 75.02 C ATOM 574 CG PRO A 40 14.441 -13.252 6.723 1.00 50.04 C ATOM 575 CD PRO A 40 14.705 -12.629 5.380 1.00 42.22 C ATOM 0 HA PRO A 40 11.492 -13.149 5.207 1.00 61.43 H new ATOM 0 HB2 PRO A 40 12.595 -13.759 7.683 1.00 75.02 H new ATOM 0 HB3 PRO A 40 12.963 -14.735 6.275 1.00 75.02 H new ATOM 0 HG2 PRO A 40 14.587 -12.528 7.525 1.00 50.04 H new ATOM 0 HG3 PRO A 40 15.126 -14.079 6.911 1.00 50.04 H new ATOM 0 HD2 PRO A 40 15.403 -11.795 5.454 1.00 42.22 H new ATOM 0 HD3 PRO A 40 15.138 -13.346 4.683 1.00 42.22 H new ATOM 583 N ASP A 41 10.846 -10.789 5.999 1.00 4.13 N ATOM 584 CA ASP A 41 10.156 -9.710 6.696 1.00 33.12 C ATOM 585 C ASP A 41 9.324 -8.880 5.724 1.00 51.24 C ATOM 586 O ASP A 41 8.276 -8.347 6.087 1.00 10.03 O ATOM 587 CB ASP A 41 11.163 -8.814 7.419 1.00 33.21 C ATOM 588 CG ASP A 41 10.813 -8.611 8.880 1.00 33.42 C ATOM 589 OD1 ASP A 41 9.613 -8.687 9.218 1.00 1.54 O ATOM 590 OD2 ASP A 41 11.738 -8.377 9.685 1.00 2.34 O ATOM 0 H ASP A 41 10.660 -10.831 4.997 1.00 4.13 H new ATOM 0 HA ASP A 41 9.486 -10.156 7.431 1.00 33.12 H new ATOM 0 HB2 ASP A 41 12.157 -9.256 7.344 1.00 33.21 H new ATOM 0 HB3 ASP A 41 11.206 -7.845 6.921 1.00 33.21 H new ATOM 595 N GLN A 42 9.799 -8.774 4.487 1.00 64.21 N ATOM 596 CA GLN A 42 9.100 -8.007 3.463 1.00 31.00 C ATOM 597 C GLN A 42 8.087 -8.878 2.727 1.00 65.12 C ATOM 598 O GLN A 42 7.163 -8.370 2.092 1.00 72.02 O ATOM 599 CB GLN A 42 10.099 -7.414 2.468 1.00 24.22 C ATOM 600 CG GLN A 42 11.228 -6.639 3.129 1.00 63.44 C ATOM 601 CD GLN A 42 12.320 -6.251 2.151 1.00 72.42 C ATOM 602 OE1 GLN A 42 13.303 -6.973 1.982 1.00 3.11 O ATOM 603 NE2 GLN A 42 12.152 -5.106 1.500 1.00 61.33 N ATOM 0 H GLN A 42 10.665 -9.210 4.170 1.00 64.21 H new ATOM 0 HA GLN A 42 8.564 -7.196 3.956 1.00 31.00 H new ATOM 0 HB2 GLN A 42 10.524 -8.219 1.869 1.00 24.22 H new ATOM 0 HB3 GLN A 42 9.568 -6.753 1.783 1.00 24.22 H new ATOM 0 HG2 GLN A 42 10.823 -5.739 3.592 1.00 63.44 H new ATOM 0 HG3 GLN A 42 11.659 -7.242 3.928 1.00 63.44 H new ATOM 0 HE21 GLN A 42 11.322 -4.539 1.671 1.00 61.33 H new ATOM 0 HE22 GLN A 42 12.853 -4.793 0.829 1.00 61.33 H new ATOM 612 N ILE A 43 8.269 -10.191 2.816 1.00 72.41 N ATOM 613 CA ILE A 43 7.370 -11.132 2.159 1.00 65.44 C ATOM 614 C ILE A 43 5.989 -11.116 2.804 1.00 21.23 C ATOM 615 O ILE A 43 4.973 -11.268 2.126 1.00 14.44 O ATOM 616 CB ILE A 43 7.928 -12.567 2.202 1.00 23.32 C ATOM 617 CG1 ILE A 43 9.290 -12.630 1.506 1.00 15.13 C ATOM 618 CG2 ILE A 43 6.951 -13.536 1.553 1.00 14.43 C ATOM 619 CD1 ILE A 43 9.974 -13.972 1.638 1.00 61.44 C ATOM 0 H ILE A 43 9.030 -10.627 3.336 1.00 72.41 H new ATOM 0 HA ILE A 43 7.286 -10.814 1.120 1.00 65.44 H new ATOM 0 HB ILE A 43 8.060 -12.858 3.244 1.00 23.32 H new ATOM 0 HG12 ILE A 43 9.160 -12.400 0.449 1.00 15.13 H new ATOM 0 HG13 ILE A 43 9.938 -11.859 1.922 1.00 15.13 H new ATOM 0 HG21 ILE A 43 7.360 -14.546 1.592 1.00 14.43 H new ATOM 0 HG22 ILE A 43 6.002 -13.508 2.088 1.00 14.43 H new ATOM 0 HG23 ILE A 43 6.790 -13.249 0.514 1.00 14.43 H new ATOM 0 HD11 ILE A 43 10.933 -13.944 1.121 1.00 61.44 H new ATOM 0 HD12 ILE A 43 10.136 -14.195 2.692 1.00 61.44 H new ATOM 0 HD13 ILE A 43 9.346 -14.745 1.196 1.00 61.44 H new ATOM 631 N LYS A 44 5.959 -10.930 4.120 1.00 41.35 N ATOM 632 CA LYS A 44 4.703 -10.890 4.859 1.00 52.14 C ATOM 633 C LYS A 44 3.908 -9.634 4.514 1.00 61.53 C ATOM 634 O LYS A 44 2.678 -9.657 4.473 1.00 32.42 O ATOM 635 CB LYS A 44 4.971 -10.939 6.364 1.00 5.44 C ATOM 636 CG LYS A 44 5.981 -9.906 6.836 1.00 70.31 C ATOM 637 CD LYS A 44 5.986 -9.783 8.350 1.00 3.43 C ATOM 638 CE LYS A 44 6.902 -10.814 8.991 1.00 65.14 C ATOM 639 NZ LYS A 44 6.616 -10.986 10.442 1.00 75.13 N ATOM 0 H LYS A 44 6.791 -10.805 4.696 1.00 41.35 H new ATOM 0 HA LYS A 44 4.114 -11.761 4.573 1.00 52.14 H new ATOM 0 HB2 LYS A 44 4.032 -10.787 6.897 1.00 5.44 H new ATOM 0 HB3 LYS A 44 5.330 -11.934 6.628 1.00 5.44 H new ATOM 0 HG2 LYS A 44 6.976 -10.184 6.489 1.00 70.31 H new ATOM 0 HG3 LYS A 44 5.748 -8.938 6.392 1.00 70.31 H new ATOM 0 HD2 LYS A 44 6.309 -8.781 8.633 1.00 3.43 H new ATOM 0 HD3 LYS A 44 4.972 -9.910 8.730 1.00 3.43 H new ATOM 0 HE2 LYS A 44 6.784 -11.771 8.482 1.00 65.14 H new ATOM 0 HE3 LYS A 44 7.940 -10.509 8.859 1.00 65.14 H new ATOM 0 HZ1 LYS A 44 7.262 -11.697 10.841 1.00 75.13 H new ATOM 0 HZ2 LYS A 44 6.753 -10.079 10.933 1.00 75.13 H new ATOM 0 HZ3 LYS A 44 5.633 -11.302 10.567 1.00 75.13 H new ATOM 653 N LYS A 45 4.619 -8.540 4.264 1.00 12.11 N ATOM 654 CA LYS A 45 3.981 -7.275 3.920 1.00 52.14 C ATOM 655 C LYS A 45 3.327 -7.352 2.544 1.00 61.25 C ATOM 656 O LYS A 45 2.416 -6.585 2.234 1.00 14.21 O ATOM 657 CB LYS A 45 5.006 -6.139 3.946 1.00 61.13 C ATOM 658 CG LYS A 45 5.147 -5.478 5.306 1.00 22.30 C ATOM 659 CD LYS A 45 4.140 -4.355 5.487 1.00 3.32 C ATOM 660 CE LYS A 45 3.760 -4.178 6.949 1.00 12.31 C ATOM 661 NZ LYS A 45 3.256 -2.804 7.229 1.00 61.52 N ATOM 0 H LYS A 45 5.638 -8.504 4.293 1.00 12.11 H new ATOM 0 HA LYS A 45 3.207 -7.074 4.661 1.00 52.14 H new ATOM 0 HB2 LYS A 45 5.976 -6.529 3.639 1.00 61.13 H new ATOM 0 HB3 LYS A 45 4.719 -5.385 3.213 1.00 61.13 H new ATOM 0 HG2 LYS A 45 5.008 -6.223 6.090 1.00 22.30 H new ATOM 0 HG3 LYS A 45 6.157 -5.084 5.417 1.00 22.30 H new ATOM 0 HD2 LYS A 45 4.558 -3.424 5.103 1.00 3.32 H new ATOM 0 HD3 LYS A 45 3.246 -4.568 4.901 1.00 3.32 H new ATOM 0 HE2 LYS A 45 2.995 -4.907 7.216 1.00 12.31 H new ATOM 0 HE3 LYS A 45 4.627 -4.382 7.577 1.00 12.31 H new ATOM 0 HZ1 LYS A 45 3.008 -2.724 8.236 1.00 61.52 H new ATOM 0 HZ2 LYS A 45 3.995 -2.109 6.998 1.00 61.52 H new ATOM 0 HZ3 LYS A 45 2.413 -2.618 6.649 1.00 61.52 H new ATOM 675 N VAL A 46 3.798 -8.285 1.721 1.00 11.43 N ATOM 676 CA VAL A 46 3.257 -8.464 0.379 1.00 2.11 C ATOM 677 C VAL A 46 2.052 -9.397 0.392 1.00 21.52 C ATOM 678 O VAL A 46 1.237 -9.390 -0.531 1.00 1.24 O ATOM 679 CB VAL A 46 4.319 -9.028 -0.583 1.00 64.11 C ATOM 680 CG1 VAL A 46 3.724 -9.251 -1.965 1.00 11.21 C ATOM 681 CG2 VAL A 46 5.521 -8.098 -0.655 1.00 13.42 C ATOM 0 H VAL A 46 4.553 -8.928 1.961 1.00 11.43 H new ATOM 0 HA VAL A 46 2.946 -7.480 0.029 1.00 2.11 H new ATOM 0 HB VAL A 46 4.656 -9.991 -0.199 1.00 64.11 H new ATOM 0 HG11 VAL A 46 4.489 -9.650 -2.631 1.00 11.21 H new ATOM 0 HG12 VAL A 46 2.899 -9.959 -1.896 1.00 11.21 H new ATOM 0 HG13 VAL A 46 3.357 -8.304 -2.360 1.00 11.21 H new ATOM 0 HG21 VAL A 46 6.261 -8.512 -1.339 1.00 13.42 H new ATOM 0 HG22 VAL A 46 5.203 -7.119 -1.014 1.00 13.42 H new ATOM 0 HG23 VAL A 46 5.961 -7.995 0.337 1.00 13.42 H new ATOM 691 N PHE A 47 1.945 -10.201 1.445 1.00 34.21 N ATOM 692 CA PHE A 47 0.839 -11.142 1.579 1.00 74.11 C ATOM 693 C PHE A 47 -0.395 -10.453 2.155 1.00 51.15 C ATOM 694 O PHE A 47 -1.523 -10.898 1.945 1.00 23.14 O ATOM 695 CB PHE A 47 1.245 -12.316 2.473 1.00 52.41 C ATOM 696 CG PHE A 47 0.128 -12.823 3.340 1.00 61.44 C ATOM 697 CD1 PHE A 47 -0.851 -13.653 2.816 1.00 43.40 C ATOM 698 CD2 PHE A 47 0.058 -12.472 4.678 1.00 74.10 C ATOM 699 CE1 PHE A 47 -1.880 -14.121 3.611 1.00 4.42 C ATOM 700 CE2 PHE A 47 -0.969 -12.937 5.478 1.00 22.43 C ATOM 701 CZ PHE A 47 -1.938 -13.764 4.944 1.00 11.43 C ATOM 0 H PHE A 47 2.611 -10.220 2.218 1.00 34.21 H new ATOM 0 HA PHE A 47 0.593 -11.518 0.586 1.00 74.11 H new ATOM 0 HB2 PHE A 47 1.607 -13.131 1.847 1.00 52.41 H new ATOM 0 HB3 PHE A 47 2.076 -12.009 3.108 1.00 52.41 H new ATOM 0 HD1 PHE A 47 -0.809 -13.937 1.775 1.00 43.40 H new ATOM 0 HD2 PHE A 47 0.814 -11.828 5.101 1.00 74.10 H new ATOM 0 HE1 PHE A 47 -2.638 -14.765 3.190 1.00 4.42 H new ATOM 0 HE2 PHE A 47 -1.014 -12.654 6.519 1.00 22.43 H new ATOM 0 HZ PHE A 47 -2.740 -14.131 5.568 1.00 11.43 H new ATOM 711 N GLY A 48 -0.171 -9.363 2.882 1.00 14.50 N ATOM 712 CA GLY A 48 -1.273 -8.629 3.478 1.00 70.34 C ATOM 713 C GLY A 48 -2.087 -7.869 2.449 1.00 23.02 C ATOM 714 O GLY A 48 -3.134 -7.306 2.770 1.00 43.42 O ATOM 0 H GLY A 48 0.753 -8.975 3.069 1.00 14.50 H new ATOM 0 HA2 GLY A 48 -1.923 -9.324 4.010 1.00 70.34 H new ATOM 0 HA3 GLY A 48 -0.882 -7.929 4.217 1.00 70.34 H new ATOM 718 N ILE A 49 -1.605 -7.851 1.211 1.00 23.32 N ATOM 719 CA ILE A 49 -2.295 -7.154 0.133 1.00 4.22 C ATOM 720 C ILE A 49 -3.174 -8.110 -0.666 1.00 43.30 C ATOM 721 O ILE A 49 -4.002 -7.683 -1.472 1.00 4.51 O ATOM 722 CB ILE A 49 -1.299 -6.469 -0.822 1.00 73.32 C ATOM 723 CG1 ILE A 49 -0.244 -5.698 -0.027 1.00 63.11 C ATOM 724 CG2 ILE A 49 -2.035 -5.540 -1.777 1.00 23.44 C ATOM 725 CD1 ILE A 49 0.828 -5.073 -0.893 1.00 31.42 C ATOM 0 H ILE A 49 -0.739 -8.311 0.930 1.00 23.32 H new ATOM 0 HA ILE A 49 -2.921 -6.393 0.599 1.00 4.22 H new ATOM 0 HB ILE A 49 -0.794 -7.236 -1.409 1.00 73.32 H new ATOM 0 HG12 ILE A 49 -0.736 -4.915 0.550 1.00 63.11 H new ATOM 0 HG13 ILE A 49 0.226 -6.373 0.688 1.00 63.11 H new ATOM 0 HG21 ILE A 49 -1.318 -5.063 -2.446 1.00 23.44 H new ATOM 0 HG22 ILE A 49 -2.752 -6.115 -2.364 1.00 23.44 H new ATOM 0 HG23 ILE A 49 -2.563 -4.776 -1.207 1.00 23.44 H new ATOM 0 HD11 ILE A 49 1.542 -4.543 -0.263 1.00 31.42 H new ATOM 0 HD12 ILE A 49 1.346 -5.853 -1.451 1.00 31.42 H new ATOM 0 HD13 ILE A 49 0.369 -4.372 -1.591 1.00 31.42 H new ATOM 737 N LEU A 50 -2.990 -9.405 -0.437 1.00 31.24 N ATOM 738 CA LEU A 50 -3.768 -10.423 -1.134 1.00 20.52 C ATOM 739 C LEU A 50 -5.103 -10.662 -0.435 1.00 64.40 C ATOM 740 O LEU A 50 -6.161 -10.603 -1.060 1.00 54.13 O ATOM 741 CB LEU A 50 -2.979 -11.732 -1.212 1.00 2.50 C ATOM 742 CG LEU A 50 -1.456 -11.597 -1.225 1.00 43.22 C ATOM 743 CD1 LEU A 50 -0.800 -12.965 -1.326 1.00 24.15 C ATOM 744 CD2 LEU A 50 -1.009 -10.704 -2.374 1.00 13.34 C ATOM 0 H LEU A 50 -2.309 -9.775 0.226 1.00 31.24 H new ATOM 0 HA LEU A 50 -3.967 -10.065 -2.144 1.00 20.52 H new ATOM 0 HB2 LEU A 50 -3.261 -12.354 -0.363 1.00 2.50 H new ATOM 0 HB3 LEU A 50 -3.284 -12.264 -2.113 1.00 2.50 H new ATOM 0 HG LEU A 50 -1.144 -11.135 -0.289 1.00 43.22 H new ATOM 0 HD11 LEU A 50 0.284 -12.849 -1.334 1.00 24.15 H new ATOM 0 HD12 LEU A 50 -1.094 -13.573 -0.471 1.00 24.15 H new ATOM 0 HD13 LEU A 50 -1.119 -13.455 -2.246 1.00 24.15 H new ATOM 0 HD21 LEU A 50 0.078 -10.619 -2.368 1.00 13.34 H new ATOM 0 HD22 LEU A 50 -1.334 -11.138 -3.320 1.00 13.34 H new ATOM 0 HD23 LEU A 50 -1.451 -9.714 -2.259 1.00 13.34 H new ATOM 756 N ASP A 51 -5.044 -10.931 0.865 1.00 51.23 N ATOM 757 CA ASP A 51 -6.248 -11.175 1.650 1.00 75.52 C ATOM 758 C ASP A 51 -7.303 -10.108 1.374 1.00 1.03 C ATOM 759 O ASP A 51 -6.988 -9.025 0.882 1.00 54.12 O ATOM 760 CB ASP A 51 -5.913 -11.206 3.142 1.00 50.43 C ATOM 761 CG ASP A 51 -6.853 -12.098 3.928 1.00 23.05 C ATOM 762 OD1 ASP A 51 -8.047 -11.749 4.043 1.00 45.14 O ATOM 763 OD2 ASP A 51 -6.395 -13.146 4.429 1.00 4.03 O ATOM 0 H ASP A 51 -4.175 -10.985 1.397 1.00 51.23 H new ATOM 0 HA ASP A 51 -6.652 -12.144 1.357 1.00 75.52 H new ATOM 0 HB2 ASP A 51 -4.889 -11.556 3.274 1.00 50.43 H new ATOM 0 HB3 ASP A 51 -5.958 -10.193 3.543 1.00 50.43 H new ATOM 768 N GLN A 52 -8.554 -10.423 1.695 1.00 42.53 N ATOM 769 CA GLN A 52 -9.654 -9.490 1.480 1.00 73.53 C ATOM 770 C GLN A 52 -9.684 -8.423 2.568 1.00 12.15 C ATOM 771 O GLN A 52 -9.823 -7.234 2.282 1.00 41.32 O ATOM 772 CB GLN A 52 -10.987 -10.241 1.448 1.00 50.42 C ATOM 773 CG GLN A 52 -11.268 -11.035 2.713 1.00 73.31 C ATOM 774 CD GLN A 52 -12.489 -11.924 2.584 1.00 34.41 C ATOM 775 OE1 GLN A 52 -13.250 -11.818 1.622 1.00 72.32 O ATOM 776 NE2 GLN A 52 -12.683 -12.809 3.556 1.00 53.52 N ATOM 0 H GLN A 52 -8.831 -11.315 2.104 1.00 42.53 H new ATOM 0 HA GLN A 52 -9.498 -8.998 0.520 1.00 73.53 H new ATOM 0 HB2 GLN A 52 -11.794 -9.525 1.291 1.00 50.42 H new ATOM 0 HB3 GLN A 52 -10.992 -10.919 0.595 1.00 50.42 H new ATOM 0 HG2 GLN A 52 -10.400 -11.649 2.953 1.00 73.31 H new ATOM 0 HG3 GLN A 52 -11.411 -10.346 3.546 1.00 73.31 H new ATOM 0 HE21 GLN A 52 -12.027 -12.863 4.335 1.00 53.52 H new ATOM 0 HE22 GLN A 52 -13.488 -13.435 3.523 1.00 53.52 H new ATOM 785 N ASP A 53 -9.554 -8.855 3.818 1.00 65.43 N ATOM 786 CA ASP A 53 -9.565 -7.936 4.950 1.00 22.50 C ATOM 787 C ASP A 53 -8.712 -8.474 6.095 1.00 63.23 C ATOM 788 O ASP A 53 -8.847 -8.043 7.240 1.00 43.10 O ATOM 789 CB ASP A 53 -10.998 -7.704 5.431 1.00 1.22 C ATOM 790 CG ASP A 53 -11.744 -6.707 4.567 1.00 52.15 C ATOM 791 OD1 ASP A 53 -11.153 -5.663 4.219 1.00 12.34 O ATOM 792 OD2 ASP A 53 -12.919 -6.971 4.236 1.00 21.32 O ATOM 0 H ASP A 53 -9.440 -9.836 4.073 1.00 65.43 H new ATOM 0 HA ASP A 53 -9.142 -6.987 4.620 1.00 22.50 H new ATOM 0 HB2 ASP A 53 -11.535 -8.652 5.433 1.00 1.22 H new ATOM 0 HB3 ASP A 53 -10.979 -7.346 6.460 1.00 1.22 H new ATOM 797 N LYS A 54 -7.834 -9.420 5.778 1.00 44.32 N ATOM 798 CA LYS A 54 -6.958 -10.017 6.778 1.00 24.44 C ATOM 799 C LYS A 54 -7.764 -10.553 7.957 1.00 60.50 C ATOM 800 O LYS A 54 -7.610 -10.092 9.088 1.00 53.24 O ATOM 801 CB LYS A 54 -5.936 -8.990 7.271 1.00 11.20 C ATOM 802 CG LYS A 54 -5.122 -8.358 6.155 1.00 30.20 C ATOM 803 CD LYS A 54 -3.877 -9.172 5.844 1.00 40.22 C ATOM 804 CE LYS A 54 -2.643 -8.576 6.504 1.00 63.23 C ATOM 805 NZ LYS A 54 -2.385 -7.183 6.044 1.00 74.42 N ATOM 0 H LYS A 54 -7.711 -9.790 4.835 1.00 44.32 H new ATOM 0 HA LYS A 54 -6.431 -10.849 6.311 1.00 24.44 H new ATOM 0 HB2 LYS A 54 -6.457 -8.205 7.818 1.00 11.20 H new ATOM 0 HB3 LYS A 54 -5.258 -9.473 7.975 1.00 11.20 H new ATOM 0 HG2 LYS A 54 -5.736 -8.273 5.258 1.00 30.20 H new ATOM 0 HG3 LYS A 54 -4.834 -7.346 6.441 1.00 30.20 H new ATOM 0 HD2 LYS A 54 -4.016 -10.197 6.188 1.00 40.22 H new ATOM 0 HD3 LYS A 54 -3.729 -9.215 4.765 1.00 40.22 H new ATOM 0 HE2 LYS A 54 -2.771 -8.583 7.586 1.00 63.23 H new ATOM 0 HE3 LYS A 54 -1.776 -9.198 6.282 1.00 63.23 H new ATOM 0 HZ1 LYS A 54 -1.362 -6.997 6.058 1.00 74.42 H new ATOM 0 HZ2 LYS A 54 -2.745 -7.065 5.076 1.00 74.42 H new ATOM 0 HZ3 LYS A 54 -2.868 -6.513 6.677 1.00 74.42 H new ATOM 819 N SER A 55 -8.622 -11.531 7.685 1.00 74.20 N ATOM 820 CA SER A 55 -9.455 -12.128 8.723 1.00 65.51 C ATOM 821 C SER A 55 -8.750 -13.319 9.366 1.00 4.23 C ATOM 822 O SER A 55 -9.363 -14.100 10.091 1.00 34.44 O ATOM 823 CB SER A 55 -10.797 -12.572 8.138 1.00 41.43 C ATOM 824 OG SER A 55 -10.615 -13.287 6.928 1.00 3.01 O ATOM 0 H SER A 55 -8.759 -11.927 6.755 1.00 74.20 H new ATOM 0 HA SER A 55 -9.633 -11.374 9.490 1.00 65.51 H new ATOM 0 HB2 SER A 55 -11.322 -13.199 8.859 1.00 41.43 H new ATOM 0 HB3 SER A 55 -11.425 -11.700 7.957 1.00 41.43 H new ATOM 0 HG SER A 55 -11.487 -13.561 6.576 1.00 3.01 H new ATOM 830 N GLY A 56 -7.455 -13.449 9.095 1.00 65.45 N ATOM 831 CA GLY A 56 -6.686 -14.546 9.654 1.00 72.22 C ATOM 832 C GLY A 56 -6.017 -15.389 8.586 1.00 33.12 C ATOM 833 O GLY A 56 -4.790 -15.439 8.503 1.00 21.20 O ATOM 0 H GLY A 56 -6.924 -12.814 8.498 1.00 65.45 H new ATOM 0 HA2 GLY A 56 -5.926 -14.147 10.327 1.00 72.22 H new ATOM 0 HA3 GLY A 56 -7.342 -15.178 10.253 1.00 72.22 H new ATOM 837 N PHE A 57 -6.825 -16.055 7.768 1.00 52.13 N ATOM 838 CA PHE A 57 -6.304 -16.902 6.701 1.00 32.35 C ATOM 839 C PHE A 57 -6.974 -16.575 5.370 1.00 3.30 C ATOM 840 O PHE A 57 -8.181 -16.340 5.312 1.00 50.53 O ATOM 841 CB PHE A 57 -6.519 -18.378 7.043 1.00 25.24 C ATOM 842 CG PHE A 57 -6.071 -18.743 8.430 1.00 71.41 C ATOM 843 CD1 PHE A 57 -4.729 -18.706 8.772 1.00 41.44 C ATOM 844 CD2 PHE A 57 -6.993 -19.125 9.391 1.00 22.25 C ATOM 845 CE1 PHE A 57 -4.314 -19.041 10.047 1.00 42.33 C ATOM 846 CE2 PHE A 57 -6.584 -19.461 10.668 1.00 3.12 C ATOM 847 CZ PHE A 57 -5.243 -19.420 10.996 1.00 45.21 C ATOM 0 H PHE A 57 -7.843 -16.025 7.823 1.00 52.13 H new ATOM 0 HA PHE A 57 -5.235 -16.709 6.607 1.00 32.35 H new ATOM 0 HB2 PHE A 57 -7.577 -18.617 6.937 1.00 25.24 H new ATOM 0 HB3 PHE A 57 -5.980 -18.992 6.322 1.00 25.24 H new ATOM 0 HD1 PHE A 57 -3.998 -18.412 8.033 1.00 41.44 H new ATOM 0 HD2 PHE A 57 -8.043 -19.161 9.140 1.00 22.25 H new ATOM 0 HE1 PHE A 57 -3.265 -19.006 10.301 1.00 42.33 H new ATOM 0 HE2 PHE A 57 -7.313 -19.755 11.409 1.00 3.12 H new ATOM 0 HZ PHE A 57 -4.921 -19.684 11.993 1.00 45.21 H new ATOM 857 N ILE A 58 -6.181 -16.561 4.304 1.00 50.32 N ATOM 858 CA ILE A 58 -6.696 -16.263 2.973 1.00 13.43 C ATOM 859 C ILE A 58 -7.597 -17.385 2.469 1.00 53.44 C ATOM 860 O ILE A 58 -8.623 -17.133 1.837 1.00 61.10 O ATOM 861 CB ILE A 58 -5.554 -16.043 1.963 1.00 14.15 C ATOM 862 CG1 ILE A 58 -5.153 -14.567 1.927 1.00 15.31 C ATOM 863 CG2 ILE A 58 -5.972 -16.518 0.580 1.00 71.11 C ATOM 864 CD1 ILE A 58 -3.959 -14.287 1.042 1.00 10.43 C ATOM 0 H ILE A 58 -5.180 -16.752 4.336 1.00 50.32 H new ATOM 0 HA ILE A 58 -7.276 -15.344 3.057 1.00 13.43 H new ATOM 0 HB ILE A 58 -4.690 -16.627 2.281 1.00 14.15 H new ATOM 0 HG12 ILE A 58 -6.000 -13.977 1.578 1.00 15.31 H new ATOM 0 HG13 ILE A 58 -4.930 -14.235 2.941 1.00 15.31 H new ATOM 0 HG21 ILE A 58 -5.155 -16.356 -0.123 1.00 71.11 H new ATOM 0 HG22 ILE A 58 -6.213 -17.580 0.618 1.00 71.11 H new ATOM 0 HG23 ILE A 58 -6.848 -15.959 0.253 1.00 71.11 H new ATOM 0 HD11 ILE A 58 -3.731 -13.221 1.065 1.00 10.43 H new ATOM 0 HD12 ILE A 58 -3.098 -14.850 1.403 1.00 10.43 H new ATOM 0 HD13 ILE A 58 -4.186 -14.588 0.019 1.00 10.43 H new ATOM 876 N GLU A 59 -7.207 -18.623 2.753 1.00 31.15 N ATOM 877 CA GLU A 59 -7.981 -19.784 2.329 1.00 41.22 C ATOM 878 C GLU A 59 -8.093 -19.836 0.808 1.00 70.11 C ATOM 879 O GLU A 59 -7.805 -18.857 0.121 1.00 55.24 O ATOM 880 CB GLU A 59 -9.377 -19.750 2.953 1.00 14.32 C ATOM 881 CG GLU A 59 -9.364 -19.644 4.469 1.00 51.31 C ATOM 882 CD GLU A 59 -10.631 -19.020 5.021 1.00 1.23 C ATOM 883 OE1 GLU A 59 -11.642 -18.982 4.290 1.00 50.34 O ATOM 884 OE2 GLU A 59 -10.611 -18.570 6.186 1.00 3.12 O ATOM 0 H GLU A 59 -6.360 -18.848 3.275 1.00 31.15 H new ATOM 0 HA GLU A 59 -7.461 -20.680 2.669 1.00 41.22 H new ATOM 0 HB2 GLU A 59 -9.929 -18.904 2.543 1.00 14.32 H new ATOM 0 HB3 GLU A 59 -9.917 -20.652 2.665 1.00 14.32 H new ATOM 0 HG2 GLU A 59 -9.236 -20.638 4.898 1.00 51.31 H new ATOM 0 HG3 GLU A 59 -8.505 -19.050 4.781 1.00 51.31 H new ATOM 891 N GLU A 60 -8.513 -20.987 0.290 1.00 5.54 N ATOM 892 CA GLU A 60 -8.661 -21.167 -1.149 1.00 11.11 C ATOM 893 C GLU A 60 -9.712 -20.214 -1.711 1.00 43.41 C ATOM 894 O GLU A 60 -9.795 -20.010 -2.922 1.00 20.42 O ATOM 895 CB GLU A 60 -9.047 -22.613 -1.467 1.00 65.10 C ATOM 896 CG GLU A 60 -8.660 -23.052 -2.870 1.00 0.45 C ATOM 897 CD GLU A 60 -9.833 -23.612 -3.650 1.00 32.55 C ATOM 898 OE1 GLU A 60 -10.745 -22.832 -3.993 1.00 73.12 O ATOM 899 OE2 GLU A 60 -9.838 -24.833 -3.916 1.00 54.44 O ATOM 0 H GLU A 60 -8.756 -21.807 0.845 1.00 5.54 H new ATOM 0 HA GLU A 60 -7.703 -20.942 -1.618 1.00 11.11 H new ATOM 0 HB2 GLU A 60 -8.570 -23.275 -0.744 1.00 65.10 H new ATOM 0 HB3 GLU A 60 -10.124 -22.728 -1.343 1.00 65.10 H new ATOM 0 HG2 GLU A 60 -8.242 -22.203 -3.410 1.00 0.45 H new ATOM 0 HG3 GLU A 60 -7.876 -23.807 -2.807 1.00 0.45 H new ATOM 906 N GLU A 61 -10.511 -19.633 -0.822 1.00 55.32 N ATOM 907 CA GLU A 61 -11.558 -18.702 -1.230 1.00 25.21 C ATOM 908 C GLU A 61 -10.955 -17.406 -1.763 1.00 42.31 C ATOM 909 O GLU A 61 -11.340 -16.922 -2.827 1.00 61.31 O ATOM 910 CB GLU A 61 -12.488 -18.399 -0.054 1.00 31.12 C ATOM 911 CG GLU A 61 -13.294 -19.601 0.410 1.00 11.31 C ATOM 912 CD GLU A 61 -14.209 -20.142 -0.671 1.00 61.22 C ATOM 913 OE1 GLU A 61 -15.194 -19.455 -1.013 1.00 13.13 O ATOM 914 OE2 GLU A 61 -13.940 -21.252 -1.175 1.00 71.45 O ATOM 0 H GLU A 61 -10.454 -19.790 0.184 1.00 55.32 H new ATOM 0 HA GLU A 61 -12.134 -19.170 -2.028 1.00 25.21 H new ATOM 0 HB2 GLU A 61 -11.895 -18.026 0.781 1.00 31.12 H new ATOM 0 HB3 GLU A 61 -13.173 -17.601 -0.340 1.00 31.12 H new ATOM 0 HG2 GLU A 61 -12.612 -20.389 0.732 1.00 11.31 H new ATOM 0 HG3 GLU A 61 -13.890 -19.321 1.279 1.00 11.31 H new ATOM 921 N GLU A 62 -10.008 -16.849 -1.015 1.00 3.52 N ATOM 922 CA GLU A 62 -9.353 -15.608 -1.412 1.00 0.54 C ATOM 923 C GLU A 62 -8.067 -15.893 -2.182 1.00 1.03 C ATOM 924 O GLU A 62 -7.450 -14.985 -2.740 1.00 64.13 O ATOM 925 CB GLU A 62 -9.044 -14.752 -0.181 1.00 54.32 C ATOM 926 CG GLU A 62 -9.697 -13.380 -0.215 1.00 4.20 C ATOM 927 CD GLU A 62 -11.150 -13.414 0.216 1.00 30.11 C ATOM 928 OE1 GLU A 62 -11.461 -14.122 1.197 1.00 4.22 O ATOM 929 OE2 GLU A 62 -11.976 -12.734 -0.427 1.00 74.01 O ATOM 0 H GLU A 62 -9.677 -17.237 -0.132 1.00 3.52 H new ATOM 0 HA GLU A 62 -10.033 -15.061 -2.065 1.00 0.54 H new ATOM 0 HB2 GLU A 62 -9.376 -15.281 0.712 1.00 54.32 H new ATOM 0 HB3 GLU A 62 -7.964 -14.629 -0.096 1.00 54.32 H new ATOM 0 HG2 GLU A 62 -9.145 -12.703 0.436 1.00 4.20 H new ATOM 0 HG3 GLU A 62 -9.631 -12.975 -1.225 1.00 4.20 H new ATOM 936 N LEU A 63 -7.668 -17.160 -2.207 1.00 12.15 N ATOM 937 CA LEU A 63 -6.455 -17.567 -2.907 1.00 51.34 C ATOM 938 C LEU A 63 -6.650 -17.498 -4.419 1.00 12.44 C ATOM 939 O LEU A 63 -5.693 -17.308 -5.169 1.00 33.41 O ATOM 940 CB LEU A 63 -6.057 -18.986 -2.497 1.00 51.44 C ATOM 941 CG LEU A 63 -4.565 -19.311 -2.567 1.00 4.42 C ATOM 942 CD1 LEU A 63 -3.804 -18.561 -1.484 1.00 32.22 C ATOM 943 CD2 LEU A 63 -4.339 -20.810 -2.439 1.00 62.12 C ATOM 0 H LEU A 63 -8.167 -17.923 -1.750 1.00 12.15 H new ATOM 0 HA LEU A 63 -5.657 -16.878 -2.630 1.00 51.34 H new ATOM 0 HB2 LEU A 63 -6.398 -19.157 -1.476 1.00 51.44 H new ATOM 0 HB3 LEU A 63 -6.592 -19.690 -3.134 1.00 51.44 H new ATOM 0 HG LEU A 63 -4.188 -18.989 -3.537 1.00 4.42 H new ATOM 0 HD11 LEU A 63 -2.744 -18.805 -1.549 1.00 32.22 H new ATOM 0 HD12 LEU A 63 -3.939 -17.488 -1.621 1.00 32.22 H new ATOM 0 HD13 LEU A 63 -4.184 -18.852 -0.505 1.00 32.22 H new ATOM 0 HD21 LEU A 63 -3.271 -21.023 -2.491 1.00 62.12 H new ATOM 0 HD22 LEU A 63 -4.732 -21.157 -1.483 1.00 62.12 H new ATOM 0 HD23 LEU A 63 -4.852 -21.326 -3.251 1.00 62.12 H new ATOM 955 N GLN A 64 -7.896 -17.650 -4.857 1.00 23.31 N ATOM 956 CA GLN A 64 -8.216 -17.604 -6.279 1.00 3.43 C ATOM 957 C GLN A 64 -8.022 -16.197 -6.834 1.00 53.43 C ATOM 958 O GLN A 64 -8.160 -15.968 -8.037 1.00 21.11 O ATOM 959 CB GLN A 64 -9.655 -18.064 -6.514 1.00 72.44 C ATOM 960 CG GLN A 64 -10.697 -17.023 -6.138 1.00 23.12 C ATOM 961 CD GLN A 64 -12.113 -17.488 -6.413 1.00 70.14 C ATOM 962 OE1 GLN A 64 -12.397 -18.686 -6.409 1.00 33.21 O ATOM 963 NE2 GLN A 64 -13.011 -16.540 -6.655 1.00 71.32 N ATOM 0 H GLN A 64 -8.699 -17.806 -4.248 1.00 23.31 H new ATOM 0 HA GLN A 64 -7.537 -18.278 -6.801 1.00 3.43 H new ATOM 0 HB2 GLN A 64 -9.777 -18.324 -7.565 1.00 72.44 H new ATOM 0 HB3 GLN A 64 -9.836 -18.971 -5.938 1.00 72.44 H new ATOM 0 HG2 GLN A 64 -10.597 -16.781 -5.080 1.00 23.12 H new ATOM 0 HG3 GLN A 64 -10.506 -16.106 -6.695 1.00 23.12 H new ATOM 0 HE21 GLN A 64 -12.731 -15.559 -6.648 1.00 71.32 H new ATOM 0 HE22 GLN A 64 -13.980 -16.793 -6.848 1.00 71.32 H new ATOM 972 N LEU A 65 -7.703 -15.256 -5.952 1.00 30.31 N ATOM 973 CA LEU A 65 -7.491 -13.870 -6.354 1.00 22.10 C ATOM 974 C LEU A 65 -6.011 -13.506 -6.292 1.00 41.24 C ATOM 975 O LEU A 65 -5.654 -12.333 -6.179 1.00 43.02 O ATOM 976 CB LEU A 65 -8.297 -12.929 -5.457 1.00 71.12 C ATOM 977 CG LEU A 65 -9.700 -13.403 -5.077 1.00 54.21 C ATOM 978 CD1 LEU A 65 -10.257 -12.563 -3.938 1.00 21.12 C ATOM 979 CD2 LEU A 65 -10.626 -13.349 -6.283 1.00 55.04 C ATOM 0 H LEU A 65 -7.585 -15.428 -4.953 1.00 30.31 H new ATOM 0 HA LEU A 65 -7.831 -13.760 -7.384 1.00 22.10 H new ATOM 0 HB2 LEU A 65 -7.732 -12.760 -4.541 1.00 71.12 H new ATOM 0 HB3 LEU A 65 -8.384 -11.966 -5.960 1.00 71.12 H new ATOM 0 HG LEU A 65 -9.634 -14.438 -4.740 1.00 54.21 H new ATOM 0 HD11 LEU A 65 -11.256 -12.915 -3.681 1.00 21.12 H new ATOM 0 HD12 LEU A 65 -9.606 -12.652 -3.068 1.00 21.12 H new ATOM 0 HD13 LEU A 65 -10.308 -11.519 -4.247 1.00 21.12 H new ATOM 0 HD21 LEU A 65 -11.620 -13.690 -5.994 1.00 55.04 H new ATOM 0 HD22 LEU A 65 -10.686 -12.324 -6.650 1.00 55.04 H new ATOM 0 HD23 LEU A 65 -10.236 -13.994 -7.070 1.00 55.04 H new ATOM 991 N PHE A 66 -5.154 -14.518 -6.370 1.00 22.43 N ATOM 992 CA PHE A 66 -3.712 -14.305 -6.324 1.00 50.11 C ATOM 993 C PHE A 66 -3.241 -13.508 -7.538 1.00 35.54 C ATOM 994 O PHE A 66 -2.229 -12.809 -7.481 1.00 60.23 O ATOM 995 CB PHE A 66 -2.978 -15.646 -6.264 1.00 71.13 C ATOM 996 CG PHE A 66 -1.482 -15.511 -6.243 1.00 14.54 C ATOM 997 CD1 PHE A 66 -0.815 -15.239 -5.059 1.00 52.10 C ATOM 998 CD2 PHE A 66 -0.744 -15.654 -7.406 1.00 24.20 C ATOM 999 CE1 PHE A 66 0.561 -15.114 -5.035 1.00 42.15 C ATOM 1000 CE2 PHE A 66 0.633 -15.531 -7.388 1.00 52.35 C ATOM 1001 CZ PHE A 66 1.286 -15.259 -6.202 1.00 51.01 C ATOM 0 H PHE A 66 -5.433 -15.494 -6.465 1.00 22.43 H new ATOM 0 HA PHE A 66 -3.483 -13.733 -5.425 1.00 50.11 H new ATOM 0 HB2 PHE A 66 -3.298 -16.187 -5.373 1.00 71.13 H new ATOM 0 HB3 PHE A 66 -3.268 -16.249 -7.125 1.00 71.13 H new ATOM 0 HD1 PHE A 66 -1.377 -15.123 -4.144 1.00 52.10 H new ATOM 0 HD2 PHE A 66 -1.249 -15.864 -8.337 1.00 24.20 H new ATOM 0 HE1 PHE A 66 1.069 -14.903 -4.105 1.00 42.15 H new ATOM 0 HE2 PHE A 66 1.198 -15.648 -8.301 1.00 52.35 H new ATOM 0 HZ PHE A 66 2.361 -15.160 -6.187 1.00 51.01 H new ATOM 1011 N LEU A 67 -3.983 -13.620 -8.634 1.00 42.13 N ATOM 1012 CA LEU A 67 -3.642 -12.911 -9.863 1.00 74.11 C ATOM 1013 C LEU A 67 -4.263 -11.518 -9.878 1.00 12.11 C ATOM 1014 O LEU A 67 -4.192 -10.805 -10.879 1.00 41.12 O ATOM 1015 CB LEU A 67 -4.116 -13.706 -11.081 1.00 41.24 C ATOM 1016 CG LEU A 67 -3.366 -15.008 -11.366 1.00 15.11 C ATOM 1017 CD1 LEU A 67 -4.055 -15.789 -12.474 1.00 53.02 C ATOM 1018 CD2 LEU A 67 -1.918 -14.720 -11.734 1.00 73.34 C ATOM 0 H LEU A 67 -4.824 -14.194 -8.697 1.00 42.13 H new ATOM 0 HA LEU A 67 -2.558 -12.806 -9.904 1.00 74.11 H new ATOM 0 HB2 LEU A 67 -5.172 -13.940 -10.948 1.00 41.24 H new ATOM 0 HB3 LEU A 67 -4.039 -13.066 -11.960 1.00 41.24 H new ATOM 0 HG LEU A 67 -3.375 -15.616 -10.461 1.00 15.11 H new ATOM 0 HD11 LEU A 67 -3.507 -16.712 -12.663 1.00 53.02 H new ATOM 0 HD12 LEU A 67 -5.075 -16.027 -12.171 1.00 53.02 H new ATOM 0 HD13 LEU A 67 -4.078 -15.188 -13.383 1.00 53.02 H new ATOM 0 HD21 LEU A 67 -1.400 -15.658 -11.933 1.00 73.34 H new ATOM 0 HD22 LEU A 67 -1.887 -14.092 -12.624 1.00 73.34 H new ATOM 0 HD23 LEU A 67 -1.429 -14.204 -10.908 1.00 73.34 H new ATOM 1030 N LYS A 68 -4.871 -11.135 -8.760 1.00 42.31 N ATOM 1031 CA LYS A 68 -5.501 -9.825 -8.642 1.00 35.43 C ATOM 1032 C LYS A 68 -4.590 -8.847 -7.909 1.00 2.53 C ATOM 1033 O LYS A 68 -4.776 -7.633 -7.987 1.00 34.14 O ATOM 1034 CB LYS A 68 -6.837 -9.945 -7.904 1.00 52.34 C ATOM 1035 CG LYS A 68 -7.759 -11.004 -8.483 1.00 62.30 C ATOM 1036 CD LYS A 68 -8.147 -10.683 -9.917 1.00 24.43 C ATOM 1037 CE LYS A 68 -9.606 -10.268 -10.020 1.00 0.53 C ATOM 1038 NZ LYS A 68 -9.765 -8.787 -9.981 1.00 30.42 N ATOM 0 H LYS A 68 -4.941 -11.713 -7.923 1.00 42.31 H new ATOM 0 HA LYS A 68 -5.680 -9.443 -9.647 1.00 35.43 H new ATOM 0 HB2 LYS A 68 -6.644 -10.177 -6.856 1.00 52.34 H new ATOM 0 HB3 LYS A 68 -7.344 -8.981 -7.929 1.00 52.34 H new ATOM 0 HG2 LYS A 68 -7.266 -11.976 -8.447 1.00 62.30 H new ATOM 0 HG3 LYS A 68 -8.657 -11.080 -7.870 1.00 62.30 H new ATOM 0 HD2 LYS A 68 -7.512 -9.882 -10.296 1.00 24.43 H new ATOM 0 HD3 LYS A 68 -7.970 -11.555 -10.547 1.00 24.43 H new ATOM 0 HE2 LYS A 68 -10.029 -10.655 -10.947 1.00 0.53 H new ATOM 0 HE3 LYS A 68 -10.170 -10.716 -9.201 1.00 0.53 H new ATOM 0 HZ1 LYS A 68 -10.774 -8.544 -10.054 1.00 30.42 H new ATOM 0 HZ2 LYS A 68 -9.384 -8.420 -9.085 1.00 30.42 H new ATOM 0 HZ3 LYS A 68 -9.248 -8.361 -10.777 1.00 30.42 H new ATOM 1052 N ASN A 69 -3.603 -9.383 -7.198 1.00 43.33 N ATOM 1053 CA ASN A 69 -2.661 -8.556 -6.452 1.00 53.32 C ATOM 1054 C ASN A 69 -1.568 -8.015 -7.368 1.00 65.13 C ATOM 1055 O ASN A 69 -0.964 -6.979 -7.088 1.00 54.24 O ATOM 1056 CB ASN A 69 -2.035 -9.361 -5.312 1.00 32.20 C ATOM 1057 CG ASN A 69 -0.810 -8.683 -4.730 1.00 64.44 C ATOM 1058 OD1 ASN A 69 0.286 -9.246 -4.736 1.00 14.44 O ATOM 1059 ND2 ASN A 69 -0.989 -7.469 -4.225 1.00 14.32 N ATOM 0 H ASN A 69 -3.435 -10.386 -7.123 1.00 43.33 H new ATOM 0 HA ASN A 69 -3.209 -7.712 -6.033 1.00 53.32 H new ATOM 0 HB2 ASN A 69 -2.775 -9.507 -4.525 1.00 32.20 H new ATOM 0 HB3 ASN A 69 -1.760 -10.350 -5.678 1.00 32.20 H new ATOM 0 HD21 ASN A 69 -0.201 -6.964 -3.820 1.00 14.32 H new ATOM 0 HD22 ASN A 69 -1.915 -7.041 -4.241 1.00 14.32 H new ATOM 1066 N PHE A 70 -1.317 -8.724 -8.464 1.00 53.12 N ATOM 1067 CA PHE A 70 -0.296 -8.316 -9.422 1.00 11.11 C ATOM 1068 C PHE A 70 -0.925 -7.617 -10.623 1.00 55.42 C ATOM 1069 O PHE A 70 -0.486 -6.541 -11.029 1.00 41.13 O ATOM 1070 CB PHE A 70 0.510 -9.530 -9.889 1.00 35.13 C ATOM 1071 CG PHE A 70 1.192 -10.263 -8.769 1.00 75.43 C ATOM 1072 CD1 PHE A 70 0.479 -11.128 -7.954 1.00 54.30 C ATOM 1073 CD2 PHE A 70 2.545 -10.089 -8.533 1.00 5.14 C ATOM 1074 CE1 PHE A 70 1.104 -11.803 -6.923 1.00 13.02 C ATOM 1075 CE2 PHE A 70 3.176 -10.762 -7.503 1.00 41.10 C ATOM 1076 CZ PHE A 70 2.454 -11.621 -6.698 1.00 3.12 C ATOM 0 H PHE A 70 -1.807 -9.584 -8.711 1.00 53.12 H new ATOM 0 HA PHE A 70 0.373 -7.614 -8.924 1.00 11.11 H new ATOM 0 HB2 PHE A 70 -0.154 -10.218 -10.412 1.00 35.13 H new ATOM 0 HB3 PHE A 70 1.260 -9.203 -10.609 1.00 35.13 H new ATOM 0 HD1 PHE A 70 -0.577 -11.276 -8.127 1.00 54.30 H new ATOM 0 HD2 PHE A 70 3.114 -9.420 -9.161 1.00 5.14 H new ATOM 0 HE1 PHE A 70 0.537 -12.473 -6.293 1.00 13.02 H new ATOM 0 HE2 PHE A 70 4.232 -10.616 -7.328 1.00 41.10 H new ATOM 0 HZ PHE A 70 2.944 -12.149 -5.894 1.00 3.12 H new ATOM 1086 N SER A 71 -1.957 -8.236 -11.188 1.00 31.34 N ATOM 1087 CA SER A 71 -2.645 -7.677 -12.345 1.00 41.52 C ATOM 1088 C SER A 71 -4.136 -7.517 -12.066 1.00 53.20 C ATOM 1089 O SER A 71 -4.653 -8.034 -11.075 1.00 44.14 O ATOM 1090 CB SER A 71 -2.437 -8.570 -13.570 1.00 5.52 C ATOM 1091 OG SER A 71 -3.141 -9.792 -13.435 1.00 45.03 O ATOM 0 H SER A 71 -2.335 -9.126 -10.862 1.00 31.34 H new ATOM 0 HA SER A 71 -2.223 -6.692 -12.546 1.00 41.52 H new ATOM 0 HB2 SER A 71 -2.775 -8.049 -14.466 1.00 5.52 H new ATOM 0 HB3 SER A 71 -1.374 -8.772 -13.701 1.00 5.52 H new ATOM 0 HG SER A 71 -3.350 -9.947 -12.490 1.00 45.03 H new ATOM 1097 N SER A 72 -4.823 -6.797 -12.947 1.00 50.52 N ATOM 1098 CA SER A 72 -6.255 -6.564 -12.795 1.00 25.41 C ATOM 1099 C SER A 72 -7.036 -7.234 -13.921 1.00 33.00 C ATOM 1100 O SER A 72 -8.263 -7.324 -13.872 1.00 21.34 O ATOM 1101 CB SER A 72 -6.550 -5.063 -12.776 1.00 71.40 C ATOM 1102 OG SER A 72 -5.830 -4.415 -11.742 1.00 15.13 O ATOM 0 H SER A 72 -4.411 -6.365 -13.774 1.00 50.52 H new ATOM 0 HA SER A 72 -6.571 -7.000 -11.847 1.00 25.41 H new ATOM 0 HB2 SER A 72 -6.285 -4.625 -13.738 1.00 71.40 H new ATOM 0 HB3 SER A 72 -7.619 -4.901 -12.636 1.00 71.40 H new ATOM 0 HG SER A 72 -6.034 -3.457 -11.752 1.00 15.13 H new ATOM 1108 N SER A 73 -6.316 -7.702 -14.936 1.00 34.14 N ATOM 1109 CA SER A 73 -6.942 -8.360 -16.077 1.00 25.53 C ATOM 1110 C SER A 73 -7.351 -9.787 -15.724 1.00 23.23 C ATOM 1111 O SER A 73 -8.459 -10.222 -16.036 1.00 63.12 O ATOM 1112 CB SER A 73 -5.986 -8.373 -17.272 1.00 12.34 C ATOM 1113 OG SER A 73 -6.314 -9.413 -18.176 1.00 21.30 O ATOM 0 H SER A 73 -5.300 -7.638 -14.991 1.00 34.14 H new ATOM 0 HA SER A 73 -7.838 -7.799 -16.342 1.00 25.53 H new ATOM 0 HB2 SER A 73 -6.029 -7.413 -17.786 1.00 12.34 H new ATOM 0 HB3 SER A 73 -4.962 -8.501 -16.921 1.00 12.34 H new ATOM 0 HG SER A 73 -5.690 -9.399 -18.931 1.00 21.30 H new ATOM 1119 N ALA A 74 -6.447 -10.511 -15.070 1.00 54.43 N ATOM 1120 CA ALA A 74 -6.714 -11.887 -14.672 1.00 62.34 C ATOM 1121 C ALA A 74 -7.930 -11.968 -13.757 1.00 33.55 C ATOM 1122 O ALA A 74 -8.039 -11.220 -12.785 1.00 24.10 O ATOM 1123 CB ALA A 74 -5.494 -12.484 -13.987 1.00 23.03 C ATOM 0 H ALA A 74 -5.524 -10.167 -14.805 1.00 54.43 H new ATOM 0 HA ALA A 74 -6.931 -12.464 -15.571 1.00 62.34 H new ATOM 0 HB1 ALA A 74 -5.707 -13.512 -13.695 1.00 23.03 H new ATOM 0 HB2 ALA A 74 -4.648 -12.470 -14.674 1.00 23.03 H new ATOM 0 HB3 ALA A 74 -5.251 -11.898 -13.101 1.00 23.03 H new ATOM 1129 N ARG A 75 -8.844 -12.881 -14.073 1.00 4.41 N ATOM 1130 CA ARG A 75 -10.054 -13.058 -13.279 1.00 44.30 C ATOM 1131 C ARG A 75 -9.734 -13.719 -11.941 1.00 52.43 C ATOM 1132 O ARG A 75 -9.671 -13.053 -10.907 1.00 73.34 O ATOM 1133 CB ARG A 75 -11.074 -13.901 -14.046 1.00 64.11 C ATOM 1134 CG ARG A 75 -10.445 -14.851 -15.053 1.00 2.24 C ATOM 1135 CD ARG A 75 -11.329 -16.062 -15.303 1.00 20.40 C ATOM 1136 NE ARG A 75 -11.866 -16.077 -16.661 1.00 14.52 N ATOM 1137 CZ ARG A 75 -12.928 -15.373 -17.038 1.00 72.23 C ATOM 1138 NH1 ARG A 75 -13.563 -14.604 -16.165 1.00 5.44 N ATOM 1139 NH2 ARG A 75 -13.357 -15.438 -18.292 1.00 72.43 N ATOM 0 H ARG A 75 -8.769 -13.509 -14.873 1.00 4.41 H new ATOM 0 HA ARG A 75 -10.479 -12.073 -13.086 1.00 44.30 H new ATOM 0 HB2 ARG A 75 -11.664 -14.478 -13.334 1.00 64.11 H new ATOM 0 HB3 ARG A 75 -11.763 -13.237 -14.567 1.00 64.11 H new ATOM 0 HG2 ARG A 75 -10.272 -14.325 -15.992 1.00 2.24 H new ATOM 0 HG3 ARG A 75 -9.472 -15.179 -14.687 1.00 2.24 H new ATOM 0 HD2 ARG A 75 -10.754 -16.972 -15.130 1.00 20.40 H new ATOM 0 HD3 ARG A 75 -12.152 -16.064 -14.588 1.00 20.40 H new ATOM 0 HE ARG A 75 -11.401 -16.659 -17.357 1.00 14.52 H new ATOM 0 HH11 ARG A 75 -13.237 -14.551 -15.200 1.00 5.44 H new ATOM 0 HH12 ARG A 75 -14.378 -14.065 -16.458 1.00 5.44 H new ATOM 0 HH21 ARG A 75 -12.871 -16.029 -18.967 1.00 72.43 H new ATOM 0 HH22 ARG A 75 -14.172 -14.897 -18.581 1.00 72.43 H new ATOM 1153 N VAL A 76 -9.534 -15.032 -11.969 1.00 62.41 N ATOM 1154 CA VAL A 76 -9.221 -15.784 -10.759 1.00 45.34 C ATOM 1155 C VAL A 76 -8.489 -17.079 -11.091 1.00 62.43 C ATOM 1156 O VAL A 76 -8.586 -17.592 -12.207 1.00 43.22 O ATOM 1157 CB VAL A 76 -10.494 -16.117 -9.960 1.00 12.42 C ATOM 1158 CG1 VAL A 76 -10.933 -14.919 -9.131 1.00 42.00 C ATOM 1159 CG2 VAL A 76 -11.607 -16.565 -10.894 1.00 74.24 C ATOM 0 H VAL A 76 -9.583 -15.598 -12.816 1.00 62.41 H new ATOM 0 HA VAL A 76 -8.575 -15.151 -10.151 1.00 45.34 H new ATOM 0 HB VAL A 76 -10.270 -16.938 -9.279 1.00 12.42 H new ATOM 0 HG11 VAL A 76 -11.834 -15.173 -8.573 1.00 42.00 H new ATOM 0 HG12 VAL A 76 -10.139 -14.648 -8.435 1.00 42.00 H new ATOM 0 HG13 VAL A 76 -11.140 -14.076 -9.791 1.00 42.00 H new ATOM 0 HG21 VAL A 76 -12.499 -16.796 -10.312 1.00 74.24 H new ATOM 0 HG22 VAL A 76 -11.832 -15.767 -11.601 1.00 74.24 H new ATOM 0 HG23 VAL A 76 -11.289 -17.454 -11.439 1.00 74.24 H new ATOM 1169 N LEU A 77 -7.757 -17.605 -10.116 1.00 23.35 N ATOM 1170 CA LEU A 77 -7.008 -18.843 -10.303 1.00 22.10 C ATOM 1171 C LEU A 77 -7.905 -19.943 -10.862 1.00 3.10 C ATOM 1172 O LEU A 77 -9.130 -19.824 -10.854 1.00 75.03 O ATOM 1173 CB LEU A 77 -6.392 -19.296 -8.978 1.00 13.43 C ATOM 1174 CG LEU A 77 -5.434 -18.308 -8.311 1.00 14.24 C ATOM 1175 CD1 LEU A 77 -4.564 -19.018 -7.286 1.00 22.03 C ATOM 1176 CD2 LEU A 77 -4.573 -17.612 -9.355 1.00 20.43 C ATOM 0 H LEU A 77 -7.666 -17.194 -9.187 1.00 23.35 H new ATOM 0 HA LEU A 77 -6.210 -18.650 -11.020 1.00 22.10 H new ATOM 0 HB2 LEU A 77 -7.200 -19.515 -8.280 1.00 13.43 H new ATOM 0 HB3 LEU A 77 -5.857 -20.230 -9.149 1.00 13.43 H new ATOM 0 HG LEU A 77 -6.024 -17.551 -7.794 1.00 14.24 H new ATOM 0 HD11 LEU A 77 -3.889 -18.299 -6.822 1.00 22.03 H new ATOM 0 HD12 LEU A 77 -5.197 -19.468 -6.521 1.00 22.03 H new ATOM 0 HD13 LEU A 77 -3.982 -19.796 -7.779 1.00 22.03 H new ATOM 0 HD21 LEU A 77 -3.898 -16.913 -8.862 1.00 20.43 H new ATOM 0 HD22 LEU A 77 -3.991 -18.355 -9.901 1.00 20.43 H new ATOM 0 HD23 LEU A 77 -5.213 -17.069 -10.051 1.00 20.43 H new ATOM 1188 N THR A 78 -7.286 -21.016 -11.345 1.00 42.34 N ATOM 1189 CA THR A 78 -8.027 -22.138 -11.907 1.00 54.52 C ATOM 1190 C THR A 78 -7.654 -23.444 -11.217 1.00 64.43 C ATOM 1191 O THR A 78 -6.971 -23.444 -10.193 1.00 12.52 O ATOM 1192 CB THR A 78 -7.773 -22.278 -13.420 1.00 12.20 C ATOM 1193 OG1 THR A 78 -8.755 -23.141 -14.004 1.00 20.43 O ATOM 1194 CG2 THR A 78 -6.381 -22.831 -13.686 1.00 33.33 C ATOM 0 H THR A 78 -6.273 -21.131 -11.358 1.00 42.34 H new ATOM 0 HA THR A 78 -9.085 -21.933 -11.742 1.00 54.52 H new ATOM 0 HB THR A 78 -7.846 -21.289 -13.871 1.00 12.20 H new ATOM 0 HG1 THR A 78 -8.587 -23.223 -14.966 1.00 20.43 H new ATOM 0 HG21 THR A 78 -6.225 -22.921 -14.761 1.00 33.33 H new ATOM 0 HG22 THR A 78 -5.635 -22.156 -13.266 1.00 33.33 H new ATOM 0 HG23 THR A 78 -6.285 -23.813 -13.222 1.00 33.33 H new ATOM 1202 N SER A 79 -8.104 -24.558 -11.786 1.00 33.34 N ATOM 1203 CA SER A 79 -7.819 -25.873 -11.223 1.00 14.12 C ATOM 1204 C SER A 79 -6.389 -26.301 -11.539 1.00 14.23 C ATOM 1205 O SER A 79 -6.163 -27.340 -12.157 1.00 72.25 O ATOM 1206 CB SER A 79 -8.806 -26.909 -11.767 1.00 5.54 C ATOM 1207 OG SER A 79 -8.766 -26.956 -13.182 1.00 71.13 O ATOM 0 H SER A 79 -8.667 -24.576 -12.636 1.00 33.34 H new ATOM 0 HA SER A 79 -7.930 -25.809 -10.141 1.00 14.12 H new ATOM 0 HB2 SER A 79 -8.568 -27.892 -11.360 1.00 5.54 H new ATOM 0 HB3 SER A 79 -9.815 -26.663 -11.436 1.00 5.54 H new ATOM 0 HG SER A 79 -7.860 -27.188 -13.476 1.00 71.13 H new ATOM 1213 N ALA A 80 -5.428 -25.491 -11.109 1.00 5.33 N ATOM 1214 CA ALA A 80 -4.019 -25.785 -11.343 1.00 73.12 C ATOM 1215 C ALA A 80 -3.123 -24.757 -10.661 1.00 63.43 C ATOM 1216 O ALA A 80 -2.069 -25.099 -10.125 1.00 50.22 O ATOM 1217 CB ALA A 80 -3.731 -25.831 -12.837 1.00 34.55 C ATOM 0 H ALA A 80 -5.599 -24.626 -10.597 1.00 5.33 H new ATOM 0 HA ALA A 80 -3.800 -26.762 -10.911 1.00 73.12 H new ATOM 0 HB1 ALA A 80 -2.676 -26.051 -12.997 1.00 34.55 H new ATOM 0 HB2 ALA A 80 -4.339 -26.608 -13.301 1.00 34.55 H new ATOM 0 HB3 ALA A 80 -3.972 -24.867 -13.284 1.00 34.55 H new ATOM 1223 N GLU A 81 -3.548 -23.498 -10.687 1.00 30.15 N ATOM 1224 CA GLU A 81 -2.781 -22.421 -10.071 1.00 73.14 C ATOM 1225 C GLU A 81 -3.032 -22.365 -8.567 1.00 70.02 C ATOM 1226 O GLU A 81 -2.094 -22.312 -7.771 1.00 12.22 O ATOM 1227 CB GLU A 81 -3.143 -21.078 -10.710 1.00 62.52 C ATOM 1228 CG GLU A 81 -2.836 -21.009 -12.197 1.00 31.52 C ATOM 1229 CD GLU A 81 -2.724 -19.585 -12.704 1.00 15.21 C ATOM 1230 OE1 GLU A 81 -2.585 -18.667 -11.869 1.00 53.53 O ATOM 1231 OE2 GLU A 81 -2.776 -19.389 -13.936 1.00 52.32 O ATOM 0 H GLU A 81 -4.418 -23.199 -11.127 1.00 30.15 H new ATOM 0 HA GLU A 81 -1.723 -22.622 -10.238 1.00 73.14 H new ATOM 0 HB2 GLU A 81 -4.205 -20.887 -10.558 1.00 62.52 H new ATOM 0 HB3 GLU A 81 -2.600 -20.284 -10.198 1.00 62.52 H new ATOM 0 HG2 GLU A 81 -1.903 -21.536 -12.396 1.00 31.52 H new ATOM 0 HG3 GLU A 81 -3.619 -21.527 -12.750 1.00 31.52 H new ATOM 1238 N THR A 82 -4.305 -22.377 -8.185 1.00 12.25 N ATOM 1239 CA THR A 82 -4.681 -22.326 -6.777 1.00 42.53 C ATOM 1240 C THR A 82 -4.196 -23.565 -6.033 1.00 51.44 C ATOM 1241 O THR A 82 -3.835 -23.495 -4.859 1.00 4.35 O ATOM 1242 CB THR A 82 -6.207 -22.203 -6.607 1.00 42.32 C ATOM 1243 OG1 THR A 82 -6.816 -21.888 -7.864 1.00 50.12 O ATOM 1244 CG2 THR A 82 -6.553 -21.129 -5.587 1.00 1.31 C ATOM 0 H THR A 82 -5.093 -22.422 -8.831 1.00 12.25 H new ATOM 0 HA THR A 82 -4.204 -21.442 -6.354 1.00 42.53 H new ATOM 0 HB THR A 82 -6.589 -23.159 -6.248 1.00 42.32 H new ATOM 0 HG1 THR A 82 -6.843 -22.691 -8.425 1.00 50.12 H new ATOM 0 HG21 THR A 82 -7.636 -21.060 -5.484 1.00 1.31 H new ATOM 0 HG22 THR A 82 -6.112 -21.387 -4.624 1.00 1.31 H new ATOM 0 HG23 THR A 82 -6.159 -20.169 -5.921 1.00 1.31 H new ATOM 1252 N LYS A 83 -4.190 -24.699 -6.725 1.00 30.44 N ATOM 1253 CA LYS A 83 -3.748 -25.955 -6.131 1.00 24.33 C ATOM 1254 C LYS A 83 -2.231 -25.978 -5.972 1.00 43.41 C ATOM 1255 O LYS A 83 -1.713 -26.319 -4.909 1.00 14.10 O ATOM 1256 CB LYS A 83 -4.198 -27.137 -6.992 1.00 33.31 C ATOM 1257 CG LYS A 83 -5.701 -27.196 -7.206 1.00 0.12 C ATOM 1258 CD LYS A 83 -6.412 -27.802 -6.007 1.00 64.24 C ATOM 1259 CE LYS A 83 -7.917 -27.855 -6.220 1.00 63.20 C ATOM 1260 NZ LYS A 83 -8.594 -28.683 -5.184 1.00 54.00 N ATOM 0 H LYS A 83 -4.486 -24.774 -7.698 1.00 30.44 H new ATOM 0 HA LYS A 83 -4.201 -26.039 -5.143 1.00 24.33 H new ATOM 0 HB2 LYS A 83 -3.703 -27.079 -7.962 1.00 33.31 H new ATOM 0 HB3 LYS A 83 -3.870 -28.064 -6.522 1.00 33.31 H new ATOM 0 HG2 LYS A 83 -6.083 -26.191 -7.387 1.00 0.12 H new ATOM 0 HG3 LYS A 83 -5.920 -27.786 -8.096 1.00 0.12 H new ATOM 0 HD2 LYS A 83 -6.033 -28.808 -5.828 1.00 64.24 H new ATOM 0 HD3 LYS A 83 -6.190 -27.215 -5.116 1.00 64.24 H new ATOM 0 HE2 LYS A 83 -8.323 -26.844 -6.199 1.00 63.20 H new ATOM 0 HE3 LYS A 83 -8.130 -28.263 -7.208 1.00 63.20 H new ATOM 0 HZ1 LYS A 83 -9.618 -28.694 -5.364 1.00 54.00 H new ATOM 0 HZ2 LYS A 83 -8.225 -29.655 -5.221 1.00 54.00 H new ATOM 0 HZ3 LYS A 83 -8.412 -28.279 -4.243 1.00 54.00 H new ATOM 1274 N ALA A 84 -1.524 -25.610 -7.036 1.00 24.32 N ATOM 1275 CA ALA A 84 -0.066 -25.585 -7.013 1.00 14.12 C ATOM 1276 C ALA A 84 0.449 -24.487 -6.088 1.00 21.50 C ATOM 1277 O ALA A 84 1.640 -24.428 -5.782 1.00 62.12 O ATOM 1278 CB ALA A 84 0.480 -25.392 -8.420 1.00 24.24 C ATOM 0 H ALA A 84 -1.937 -25.325 -7.924 1.00 24.32 H new ATOM 0 HA ALA A 84 0.284 -26.543 -6.627 1.00 14.12 H new ATOM 0 HB1 ALA A 84 1.569 -25.375 -8.388 1.00 24.24 H new ATOM 0 HB2 ALA A 84 0.148 -26.213 -9.055 1.00 24.24 H new ATOM 0 HB3 ALA A 84 0.114 -24.449 -8.826 1.00 24.24 H new ATOM 1284 N PHE A 85 -0.455 -23.620 -5.646 1.00 10.41 N ATOM 1285 CA PHE A 85 -0.091 -22.523 -4.757 1.00 0.51 C ATOM 1286 C PHE A 85 -0.500 -22.829 -3.319 1.00 53.22 C ATOM 1287 O PHE A 85 0.292 -22.673 -2.389 1.00 64.43 O ATOM 1288 CB PHE A 85 -0.750 -21.222 -5.221 1.00 11.12 C ATOM 1289 CG PHE A 85 -0.225 -20.001 -4.521 1.00 32.01 C ATOM 1290 CD1 PHE A 85 1.009 -19.470 -4.858 1.00 24.11 C ATOM 1291 CD2 PHE A 85 -0.966 -19.385 -3.525 1.00 52.35 C ATOM 1292 CE1 PHE A 85 1.495 -18.346 -4.216 1.00 62.51 C ATOM 1293 CE2 PHE A 85 -0.486 -18.261 -2.881 1.00 2.35 C ATOM 1294 CZ PHE A 85 0.747 -17.742 -3.225 1.00 51.33 C ATOM 0 H PHE A 85 -1.445 -23.655 -5.889 1.00 10.41 H new ATOM 0 HA PHE A 85 0.992 -22.406 -4.791 1.00 0.51 H new ATOM 0 HB2 PHE A 85 -0.597 -21.109 -6.294 1.00 11.12 H new ATOM 0 HB3 PHE A 85 -1.825 -21.290 -5.058 1.00 11.12 H new ATOM 0 HD1 PHE A 85 1.599 -19.940 -5.631 1.00 24.11 H new ATOM 0 HD2 PHE A 85 -1.929 -19.788 -3.249 1.00 52.35 H new ATOM 0 HE1 PHE A 85 2.458 -17.941 -4.489 1.00 62.51 H new ATOM 0 HE2 PHE A 85 -1.075 -17.788 -2.109 1.00 2.35 H new ATOM 0 HZ PHE A 85 1.125 -16.866 -2.720 1.00 51.33 H new ATOM 1304 N LEU A 86 -1.743 -23.264 -3.144 1.00 71.05 N ATOM 1305 CA LEU A 86 -2.260 -23.592 -1.820 1.00 62.22 C ATOM 1306 C LEU A 86 -1.537 -24.803 -1.238 1.00 51.14 C ATOM 1307 O LEU A 86 -1.001 -24.746 -0.132 1.00 42.53 O ATOM 1308 CB LEU A 86 -3.763 -23.867 -1.891 1.00 40.32 C ATOM 1309 CG LEU A 86 -4.547 -23.648 -0.597 1.00 31.02 C ATOM 1310 CD1 LEU A 86 -5.972 -23.213 -0.903 1.00 2.12 C ATOM 1311 CD2 LEU A 86 -4.544 -24.913 0.249 1.00 62.22 C ATOM 0 H LEU A 86 -2.412 -23.398 -3.903 1.00 71.05 H new ATOM 0 HA LEU A 86 -2.084 -22.738 -1.166 1.00 62.22 H new ATOM 0 HB2 LEU A 86 -4.192 -23.230 -2.665 1.00 40.32 H new ATOM 0 HB3 LEU A 86 -3.909 -24.899 -2.210 1.00 40.32 H new ATOM 0 HG LEU A 86 -4.060 -22.854 -0.030 1.00 31.02 H new ATOM 0 HD11 LEU A 86 -6.515 -23.062 0.030 1.00 2.12 H new ATOM 0 HD12 LEU A 86 -5.955 -22.281 -1.468 1.00 2.12 H new ATOM 0 HD13 LEU A 86 -6.469 -23.984 -1.491 1.00 2.12 H new ATOM 0 HD21 LEU A 86 -5.107 -24.739 1.166 1.00 62.22 H new ATOM 0 HD22 LEU A 86 -5.006 -25.726 -0.311 1.00 62.22 H new ATOM 0 HD23 LEU A 86 -3.517 -25.181 0.499 1.00 62.22 H new ATOM 1323 N ALA A 87 -1.526 -25.897 -1.992 1.00 64.33 N ATOM 1324 CA ALA A 87 -0.865 -27.120 -1.553 1.00 71.34 C ATOM 1325 C ALA A 87 0.640 -26.914 -1.422 1.00 21.44 C ATOM 1326 O ALA A 87 1.336 -27.727 -0.814 1.00 3.25 O ATOM 1327 CB ALA A 87 -1.162 -28.257 -2.521 1.00 3.42 C ATOM 0 H ALA A 87 -1.967 -25.962 -2.909 1.00 64.33 H new ATOM 0 HA ALA A 87 -1.256 -27.382 -0.570 1.00 71.34 H new ATOM 0 HB1 ALA A 87 -0.662 -29.164 -2.181 1.00 3.42 H new ATOM 0 HB2 ALA A 87 -2.238 -28.429 -2.562 1.00 3.42 H new ATOM 0 HB3 ALA A 87 -0.799 -27.993 -3.514 1.00 3.42 H new ATOM 1333 N ALA A 88 1.136 -25.823 -1.996 1.00 71.41 N ATOM 1334 CA ALA A 88 2.559 -25.511 -1.941 1.00 55.44 C ATOM 1335 C ALA A 88 2.861 -24.522 -0.820 1.00 74.40 C ATOM 1336 O ALA A 88 3.969 -24.494 -0.286 1.00 52.34 O ATOM 1337 CB ALA A 88 3.029 -24.955 -3.278 1.00 34.33 C ATOM 0 H ALA A 88 0.574 -25.140 -2.504 1.00 71.41 H new ATOM 0 HA ALA A 88 3.101 -26.434 -1.732 1.00 55.44 H new ATOM 0 HB1 ALA A 88 4.093 -24.726 -3.223 1.00 34.33 H new ATOM 0 HB2 ALA A 88 2.857 -25.694 -4.060 1.00 34.33 H new ATOM 0 HB3 ALA A 88 2.474 -24.046 -3.509 1.00 34.33 H new ATOM 1343 N GLY A 89 1.867 -23.712 -0.467 1.00 71.25 N ATOM 1344 CA GLY A 89 2.047 -22.733 0.588 1.00 3.21 C ATOM 1345 C GLY A 89 1.548 -23.229 1.931 1.00 44.03 C ATOM 1346 O GLY A 89 2.304 -23.278 2.902 1.00 53.22 O ATOM 0 H GLY A 89 0.940 -23.717 -0.893 1.00 71.25 H new ATOM 0 HA2 GLY A 89 3.104 -22.480 0.668 1.00 3.21 H new ATOM 0 HA3 GLY A 89 1.519 -21.817 0.323 1.00 3.21 H new ATOM 1350 N ASP A 90 0.273 -23.596 1.987 1.00 21.41 N ATOM 1351 CA ASP A 90 -0.326 -24.091 3.221 1.00 14.22 C ATOM 1352 C ASP A 90 0.516 -25.211 3.824 1.00 40.31 C ATOM 1353 O ASP A 90 0.491 -26.346 3.349 1.00 60.55 O ATOM 1354 CB ASP A 90 -1.748 -24.590 2.958 1.00 0.04 C ATOM 1355 CG ASP A 90 -2.234 -25.545 4.031 1.00 65.54 C ATOM 1356 OD1 ASP A 90 -1.922 -25.313 5.217 1.00 1.02 O ATOM 1357 OD2 ASP A 90 -2.924 -26.526 3.683 1.00 34.41 O ATOM 0 H ASP A 90 -0.366 -23.560 1.193 1.00 21.41 H new ATOM 0 HA ASP A 90 -0.364 -23.267 3.933 1.00 14.22 H new ATOM 0 HB2 ASP A 90 -2.425 -23.737 2.901 1.00 0.04 H new ATOM 0 HB3 ASP A 90 -1.782 -25.089 1.989 1.00 0.04 H new ATOM 1362 N THR A 91 1.263 -24.883 4.874 1.00 62.13 N ATOM 1363 CA THR A 91 2.115 -25.860 5.540 1.00 1.22 C ATOM 1364 C THR A 91 1.701 -26.048 6.995 1.00 22.41 C ATOM 1365 O THR A 91 1.792 -27.149 7.538 1.00 30.45 O ATOM 1366 CB THR A 91 3.596 -25.440 5.490 1.00 64.41 C ATOM 1367 OG1 THR A 91 3.763 -24.156 6.100 1.00 53.41 O ATOM 1368 CG2 THR A 91 4.097 -25.394 4.054 1.00 24.53 C ATOM 0 H THR A 91 1.295 -23.948 5.281 1.00 62.13 H new ATOM 0 HA THR A 91 1.994 -26.802 5.005 1.00 1.22 H new ATOM 0 HB THR A 91 4.179 -26.180 6.038 1.00 64.41 H new ATOM 0 HG1 THR A 91 3.706 -24.247 7.074 1.00 53.41 H new ATOM 0 HG21 THR A 91 5.145 -25.095 4.044 1.00 24.53 H new ATOM 0 HG22 THR A 91 3.997 -26.381 3.602 1.00 24.53 H new ATOM 0 HG23 THR A 91 3.509 -24.673 3.486 1.00 24.53 H new ATOM 1376 N ASP A 92 1.246 -24.968 7.620 1.00 21.45 N ATOM 1377 CA ASP A 92 0.816 -25.016 9.013 1.00 1.42 C ATOM 1378 C ASP A 92 -0.706 -25.061 9.111 1.00 64.32 C ATOM 1379 O ASP A 92 -1.296 -24.498 10.031 1.00 1.42 O ATOM 1380 CB ASP A 92 1.352 -23.803 9.776 1.00 23.31 C ATOM 1381 CG ASP A 92 2.822 -23.941 10.124 1.00 75.43 C ATOM 1382 OD1 ASP A 92 3.640 -24.099 9.193 1.00 55.41 O ATOM 1383 OD2 ASP A 92 3.153 -23.891 11.326 1.00 25.43 O ATOM 0 H ASP A 92 1.165 -24.049 7.185 1.00 21.45 H new ATOM 0 HA ASP A 92 1.218 -25.925 9.461 1.00 1.42 H new ATOM 0 HB2 ASP A 92 1.207 -22.906 9.174 1.00 23.31 H new ATOM 0 HB3 ASP A 92 0.776 -23.670 10.692 1.00 23.31 H new ATOM 1388 N GLY A 93 -1.335 -25.736 8.154 1.00 71.24 N ATOM 1389 CA GLY A 93 -2.782 -25.842 8.150 1.00 55.15 C ATOM 1390 C GLY A 93 -3.285 -26.879 7.165 1.00 33.00 C ATOM 1391 O GLY A 93 -2.503 -27.658 6.620 1.00 51.22 O ATOM 0 H GLY A 93 -0.868 -26.211 7.382 1.00 71.24 H new ATOM 0 HA2 GLY A 93 -3.127 -26.099 9.151 1.00 55.15 H new ATOM 0 HA3 GLY A 93 -3.214 -24.872 7.904 1.00 55.15 H new ATOM 1395 N ASP A 94 -4.594 -26.891 6.938 1.00 71.01 N ATOM 1396 CA ASP A 94 -5.201 -27.841 6.013 1.00 61.12 C ATOM 1397 C ASP A 94 -6.220 -27.149 5.113 1.00 11.55 C ATOM 1398 O ASP A 94 -7.423 -27.383 5.226 1.00 44.14 O ATOM 1399 CB ASP A 94 -5.872 -28.979 6.784 1.00 53.42 C ATOM 1400 CG ASP A 94 -6.266 -30.134 5.885 1.00 60.12 C ATOM 1401 OD1 ASP A 94 -6.152 -29.990 4.650 1.00 42.02 O ATOM 1402 OD2 ASP A 94 -6.689 -31.182 6.416 1.00 31.32 O ATOM 0 H ASP A 94 -5.255 -26.254 7.382 1.00 71.01 H new ATOM 0 HA ASP A 94 -4.411 -28.254 5.386 1.00 61.12 H new ATOM 0 HB2 ASP A 94 -5.194 -29.339 7.557 1.00 53.42 H new ATOM 0 HB3 ASP A 94 -6.759 -28.598 7.290 1.00 53.42 H new ATOM 1407 N GLY A 95 -5.730 -26.293 4.221 1.00 10.13 N ATOM 1408 CA GLY A 95 -6.612 -25.578 3.317 1.00 64.43 C ATOM 1409 C GLY A 95 -6.677 -24.095 3.622 1.00 44.03 C ATOM 1410 O GLY A 95 -7.710 -23.457 3.421 1.00 12.43 O ATOM 0 H GLY A 95 -4.738 -26.082 4.108 1.00 10.13 H new ATOM 0 HA2 GLY A 95 -6.269 -25.720 2.292 1.00 64.43 H new ATOM 0 HA3 GLY A 95 -7.614 -26.003 3.380 1.00 64.43 H new ATOM 1414 N LYS A 96 -5.570 -23.544 4.109 1.00 13.15 N ATOM 1415 CA LYS A 96 -5.504 -22.126 4.444 1.00 75.13 C ATOM 1416 C LYS A 96 -4.057 -21.654 4.531 1.00 65.41 C ATOM 1417 O LYS A 96 -3.174 -22.404 4.950 1.00 70.24 O ATOM 1418 CB LYS A 96 -6.219 -21.860 5.770 1.00 34.24 C ATOM 1419 CG LYS A 96 -6.052 -22.977 6.786 1.00 31.01 C ATOM 1420 CD LYS A 96 -6.518 -22.549 8.168 1.00 41.24 C ATOM 1421 CE LYS A 96 -6.356 -23.670 9.183 1.00 43.22 C ATOM 1422 NZ LYS A 96 -4.979 -23.711 9.748 1.00 3.14 N ATOM 0 H LYS A 96 -4.706 -24.058 4.281 1.00 13.15 H new ATOM 0 HA LYS A 96 -6.002 -21.568 3.651 1.00 75.13 H new ATOM 0 HB2 LYS A 96 -5.840 -20.932 6.198 1.00 34.24 H new ATOM 0 HB3 LYS A 96 -7.281 -21.712 5.577 1.00 34.24 H new ATOM 0 HG2 LYS A 96 -6.619 -23.850 6.464 1.00 31.01 H new ATOM 0 HG3 LYS A 96 -5.005 -23.276 6.831 1.00 31.01 H new ATOM 0 HD2 LYS A 96 -5.948 -21.678 8.492 1.00 41.24 H new ATOM 0 HD3 LYS A 96 -7.564 -22.246 8.123 1.00 41.24 H new ATOM 0 HE2 LYS A 96 -7.076 -23.536 9.990 1.00 43.22 H new ATOM 0 HE3 LYS A 96 -6.583 -24.625 8.709 1.00 43.22 H new ATOM 0 HZ1 LYS A 96 -4.744 -24.687 10.018 1.00 3.14 H new ATOM 0 HZ2 LYS A 96 -4.301 -23.376 9.034 1.00 3.14 H new ATOM 0 HZ3 LYS A 96 -4.930 -23.098 10.587 1.00 3.14 H new ATOM 1436 N ILE A 97 -3.820 -20.408 4.135 1.00 72.43 N ATOM 1437 CA ILE A 97 -2.480 -19.837 4.171 1.00 23.00 C ATOM 1438 C ILE A 97 -2.481 -18.475 4.857 1.00 51.04 C ATOM 1439 O ILE A 97 -3.430 -17.703 4.725 1.00 44.34 O ATOM 1440 CB ILE A 97 -1.894 -19.686 2.755 1.00 44.22 C ATOM 1441 CG1 ILE A 97 -1.716 -21.059 2.104 1.00 43.25 C ATOM 1442 CG2 ILE A 97 -0.567 -18.942 2.807 1.00 33.41 C ATOM 1443 CD1 ILE A 97 -1.131 -20.995 0.710 1.00 72.32 C ATOM 0 H ILE A 97 -4.539 -19.775 3.785 1.00 72.43 H new ATOM 0 HA ILE A 97 -1.858 -20.527 4.741 1.00 23.00 H new ATOM 0 HB ILE A 97 -2.590 -19.105 2.150 1.00 44.22 H new ATOM 0 HG12 ILE A 97 -1.069 -21.669 2.733 1.00 43.25 H new ATOM 0 HG13 ILE A 97 -2.683 -21.560 2.061 1.00 43.25 H new ATOM 0 HG21 ILE A 97 -0.165 -18.843 1.798 1.00 33.41 H new ATOM 0 HG22 ILE A 97 -0.722 -17.951 3.235 1.00 33.41 H new ATOM 0 HG23 ILE A 97 0.138 -19.498 3.425 1.00 33.41 H new ATOM 0 HD11 ILE A 97 -1.033 -22.004 0.310 1.00 72.32 H new ATOM 0 HD12 ILE A 97 -1.789 -20.412 0.066 1.00 72.32 H new ATOM 0 HD13 ILE A 97 -0.149 -20.523 0.749 1.00 72.32 H new ATOM 1455 N GLY A 98 -1.409 -18.186 5.589 1.00 55.21 N ATOM 1456 CA GLY A 98 -1.306 -16.916 6.283 1.00 12.33 C ATOM 1457 C GLY A 98 -0.033 -16.168 5.939 1.00 74.35 C ATOM 1458 O GLY A 98 0.159 -15.748 4.797 1.00 31.24 O ATOM 0 H GLY A 98 -0.611 -18.809 5.713 1.00 55.21 H new ATOM 0 HA2 GLY A 98 -2.167 -16.297 6.031 1.00 12.33 H new ATOM 0 HA3 GLY A 98 -1.342 -17.089 7.359 1.00 12.33 H new ATOM 1462 N VAL A 99 0.839 -16.000 6.928 1.00 53.04 N ATOM 1463 CA VAL A 99 2.100 -15.297 6.724 1.00 72.34 C ATOM 1464 C VAL A 99 3.284 -16.251 6.833 1.00 62.14 C ATOM 1465 O VAL A 99 4.093 -16.359 5.912 1.00 41.33 O ATOM 1466 CB VAL A 99 2.278 -14.157 7.743 1.00 50.50 C ATOM 1467 CG1 VAL A 99 2.148 -12.804 7.059 1.00 24.01 C ATOM 1468 CG2 VAL A 99 1.269 -14.290 8.874 1.00 71.45 C ATOM 0 H VAL A 99 0.695 -16.341 7.878 1.00 53.04 H new ATOM 0 HA VAL A 99 2.068 -14.875 5.720 1.00 72.34 H new ATOM 0 HB VAL A 99 3.279 -14.228 8.169 1.00 50.50 H new ATOM 0 HG11 VAL A 99 2.277 -12.010 7.795 1.00 24.01 H new ATOM 0 HG12 VAL A 99 2.913 -12.711 6.288 1.00 24.01 H new ATOM 0 HG13 VAL A 99 1.161 -12.720 6.604 1.00 24.01 H new ATOM 0 HG21 VAL A 99 1.410 -13.476 9.585 1.00 71.45 H new ATOM 0 HG22 VAL A 99 0.259 -14.246 8.467 1.00 71.45 H new ATOM 0 HG23 VAL A 99 1.415 -15.244 9.381 1.00 71.45 H new ATOM 1478 N GLU A 100 3.379 -16.942 7.965 1.00 53.34 N ATOM 1479 CA GLU A 100 4.465 -17.887 8.193 1.00 2.25 C ATOM 1480 C GLU A 100 4.523 -18.929 7.081 1.00 70.43 C ATOM 1481 O GLU A 100 5.597 -19.416 6.728 1.00 34.21 O ATOM 1482 CB GLU A 100 4.292 -18.579 9.547 1.00 3.22 C ATOM 1483 CG GLU A 100 5.333 -18.171 10.577 1.00 55.42 C ATOM 1484 CD GLU A 100 5.574 -19.245 11.620 1.00 51.44 C ATOM 1485 OE1 GLU A 100 4.666 -20.074 11.838 1.00 54.33 O ATOM 1486 OE2 GLU A 100 6.670 -19.256 12.218 1.00 71.14 O ATOM 0 H GLU A 100 2.717 -16.865 8.737 1.00 53.34 H new ATOM 0 HA GLU A 100 5.402 -17.330 8.194 1.00 2.25 H new ATOM 0 HB2 GLU A 100 3.299 -18.353 9.937 1.00 3.22 H new ATOM 0 HB3 GLU A 100 4.340 -19.658 9.403 1.00 3.22 H new ATOM 0 HG2 GLU A 100 6.271 -17.945 10.070 1.00 55.42 H new ATOM 0 HG3 GLU A 100 5.010 -17.255 11.072 1.00 55.42 H new ATOM 1493 N GLU A 101 3.360 -19.267 6.533 1.00 54.21 N ATOM 1494 CA GLU A 101 3.278 -20.252 5.461 1.00 31.54 C ATOM 1495 C GLU A 101 3.561 -19.609 4.107 1.00 13.41 C ATOM 1496 O GLU A 101 4.106 -20.246 3.206 1.00 42.10 O ATOM 1497 CB GLU A 101 1.896 -20.910 5.447 1.00 3.14 C ATOM 1498 CG GLU A 101 1.417 -21.348 6.821 1.00 71.51 C ATOM 1499 CD GLU A 101 -0.019 -21.834 6.810 1.00 75.21 C ATOM 1500 OE1 GLU A 101 -0.269 -22.935 6.274 1.00 2.34 O ATOM 1501 OE2 GLU A 101 -0.894 -21.115 7.336 1.00 42.41 O ATOM 0 H GLU A 101 2.462 -18.873 6.814 1.00 54.21 H new ATOM 0 HA GLU A 101 4.034 -21.015 5.646 1.00 31.54 H new ATOM 0 HB2 GLU A 101 1.174 -20.211 5.026 1.00 3.14 H new ATOM 0 HB3 GLU A 101 1.922 -21.777 4.787 1.00 3.14 H new ATOM 0 HG2 GLU A 101 2.063 -22.144 7.190 1.00 71.51 H new ATOM 0 HG3 GLU A 101 1.509 -20.514 7.517 1.00 71.51 H new ATOM 1508 N PHE A 102 3.185 -18.341 3.971 1.00 30.22 N ATOM 1509 CA PHE A 102 3.396 -17.610 2.727 1.00 22.41 C ATOM 1510 C PHE A 102 4.883 -17.510 2.401 1.00 64.32 C ATOM 1511 O PHE A 102 5.343 -18.033 1.386 1.00 33.40 O ATOM 1512 CB PHE A 102 2.788 -16.210 2.824 1.00 4.42 C ATOM 1513 CG PHE A 102 2.800 -15.460 1.523 1.00 41.41 C ATOM 1514 CD1 PHE A 102 1.879 -15.753 0.530 1.00 21.44 C ATOM 1515 CD2 PHE A 102 3.732 -14.461 1.292 1.00 5.11 C ATOM 1516 CE1 PHE A 102 1.887 -15.065 -0.668 1.00 51.11 C ATOM 1517 CE2 PHE A 102 3.745 -13.769 0.096 1.00 52.21 C ATOM 1518 CZ PHE A 102 2.822 -14.072 -0.886 1.00 13.11 C ATOM 0 H PHE A 102 2.733 -17.799 4.707 1.00 30.22 H new ATOM 0 HA PHE A 102 2.902 -18.158 1.924 1.00 22.41 H new ATOM 0 HB2 PHE A 102 1.760 -16.293 3.177 1.00 4.42 H new ATOM 0 HB3 PHE A 102 3.336 -15.635 3.571 1.00 4.42 H new ATOM 0 HD1 PHE A 102 1.146 -16.529 0.695 1.00 21.44 H new ATOM 0 HD2 PHE A 102 4.457 -14.220 2.056 1.00 5.11 H new ATOM 0 HE1 PHE A 102 1.163 -15.303 -1.433 1.00 51.11 H new ATOM 0 HE2 PHE A 102 4.476 -12.992 -0.071 1.00 52.21 H new ATOM 0 HZ PHE A 102 2.831 -13.534 -1.822 1.00 13.11 H new ATOM 1528 N GLN A 103 5.629 -16.834 3.269 1.00 62.23 N ATOM 1529 CA GLN A 103 7.064 -16.664 3.072 1.00 20.13 C ATOM 1530 C GLN A 103 7.755 -18.014 2.909 1.00 11.02 C ATOM 1531 O GLN A 103 8.781 -18.120 2.237 1.00 34.11 O ATOM 1532 CB GLN A 103 7.675 -15.904 4.251 1.00 71.30 C ATOM 1533 CG GLN A 103 7.431 -16.569 5.596 1.00 75.31 C ATOM 1534 CD GLN A 103 8.258 -15.957 6.709 1.00 52.32 C ATOM 1535 OE1 GLN A 103 8.937 -16.663 7.454 1.00 22.41 O ATOM 1536 NE2 GLN A 103 8.205 -14.635 6.827 1.00 23.22 N ATOM 0 H GLN A 103 5.264 -16.396 4.115 1.00 62.23 H new ATOM 0 HA GLN A 103 7.214 -16.087 2.159 1.00 20.13 H new ATOM 0 HB2 GLN A 103 8.749 -15.807 4.093 1.00 71.30 H new ATOM 0 HB3 GLN A 103 7.264 -14.895 4.274 1.00 71.30 H new ATOM 0 HG2 GLN A 103 6.374 -16.491 5.849 1.00 75.31 H new ATOM 0 HG3 GLN A 103 7.662 -17.631 5.519 1.00 75.31 H new ATOM 0 HE21 GLN A 103 7.629 -14.089 6.187 1.00 23.22 H new ATOM 0 HE22 GLN A 103 8.741 -14.166 7.557 1.00 23.22 H new ATOM 1545 N SER A 104 7.186 -19.043 3.529 1.00 60.10 N ATOM 1546 CA SER A 104 7.750 -20.386 3.456 1.00 53.00 C ATOM 1547 C SER A 104 7.666 -20.934 2.035 1.00 54.15 C ATOM 1548 O SER A 104 8.324 -21.918 1.696 1.00 62.11 O ATOM 1549 CB SER A 104 7.018 -21.322 4.420 1.00 60.24 C ATOM 1550 OG SER A 104 7.701 -22.557 4.547 1.00 35.54 O ATOM 0 H SER A 104 6.335 -18.972 4.087 1.00 60.10 H new ATOM 0 HA SER A 104 8.800 -20.329 3.743 1.00 53.00 H new ATOM 0 HB2 SER A 104 6.932 -20.848 5.398 1.00 60.24 H new ATOM 0 HB3 SER A 104 6.004 -21.499 4.061 1.00 60.24 H new ATOM 0 HG SER A 104 8.234 -22.720 3.741 1.00 35.54 H new ATOM 1556 N LEU A 105 6.851 -20.290 1.206 1.00 13.34 N ATOM 1557 CA LEU A 105 6.679 -20.711 -0.180 1.00 20.14 C ATOM 1558 C LEU A 105 7.399 -19.761 -1.131 1.00 4.12 C ATOM 1559 O LEU A 105 8.045 -20.193 -2.086 1.00 0.11 O ATOM 1560 CB LEU A 105 5.192 -20.775 -0.533 1.00 42.15 C ATOM 1561 CG LEU A 105 4.859 -20.842 -2.024 1.00 63.33 C ATOM 1562 CD1 LEU A 105 3.613 -21.682 -2.256 1.00 14.04 C ATOM 1563 CD2 LEU A 105 4.675 -19.443 -2.593 1.00 42.04 C ATOM 0 H LEU A 105 6.299 -19.474 1.470 1.00 13.34 H new ATOM 0 HA LEU A 105 7.115 -21.704 -0.289 1.00 20.14 H new ATOM 0 HB2 LEU A 105 4.760 -21.649 -0.045 1.00 42.15 H new ATOM 0 HB3 LEU A 105 4.701 -19.899 -0.110 1.00 42.15 H new ATOM 0 HG LEU A 105 5.693 -21.316 -2.542 1.00 63.33 H new ATOM 0 HD11 LEU A 105 3.392 -21.718 -3.323 1.00 14.04 H new ATOM 0 HD12 LEU A 105 3.782 -22.693 -1.886 1.00 14.04 H new ATOM 0 HD13 LEU A 105 2.771 -21.238 -1.726 1.00 14.04 H new ATOM 0 HD21 LEU A 105 4.439 -19.510 -3.655 1.00 42.04 H new ATOM 0 HD22 LEU A 105 3.860 -18.942 -2.071 1.00 42.04 H new ATOM 0 HD23 LEU A 105 5.595 -18.873 -2.461 1.00 42.04 H new ATOM 1575 N VAL A 106 7.286 -18.464 -0.862 1.00 1.00 N ATOM 1576 CA VAL A 106 7.929 -17.452 -1.692 1.00 23.23 C ATOM 1577 C VAL A 106 9.431 -17.697 -1.792 1.00 74.24 C ATOM 1578 O VAL A 106 9.990 -17.750 -2.888 1.00 5.23 O ATOM 1579 CB VAL A 106 7.687 -16.035 -1.138 1.00 24.52 C ATOM 1580 CG1 VAL A 106 8.221 -14.987 -2.102 1.00 14.21 C ATOM 1581 CG2 VAL A 106 6.207 -15.816 -0.864 1.00 62.41 C ATOM 0 H VAL A 106 6.755 -18.089 -0.076 1.00 1.00 H new ATOM 0 HA VAL A 106 7.484 -17.527 -2.684 1.00 23.23 H new ATOM 0 HB VAL A 106 8.226 -15.935 -0.196 1.00 24.52 H new ATOM 0 HG11 VAL A 106 8.041 -13.992 -1.694 1.00 14.21 H new ATOM 0 HG12 VAL A 106 9.292 -15.134 -2.242 1.00 14.21 H new ATOM 0 HG13 VAL A 106 7.713 -15.083 -3.062 1.00 14.21 H new ATOM 0 HG21 VAL A 106 6.054 -14.810 -0.473 1.00 62.41 H new ATOM 0 HG22 VAL A 106 5.644 -15.935 -1.790 1.00 62.41 H new ATOM 0 HG23 VAL A 106 5.861 -16.546 -0.132 1.00 62.41 H new ATOM 1591 N LYS A 107 10.078 -17.847 -0.642 1.00 65.11 N ATOM 1592 CA LYS A 107 11.516 -18.089 -0.599 1.00 13.32 C ATOM 1593 C LYS A 107 11.872 -19.385 -1.320 1.00 54.33 C ATOM 1594 O LYS A 107 13.025 -19.604 -1.690 1.00 53.41 O ATOM 1595 CB LYS A 107 12.000 -18.151 0.852 1.00 52.43 C ATOM 1596 CG LYS A 107 11.665 -16.908 1.658 1.00 15.03 C ATOM 1597 CD LYS A 107 12.782 -15.881 1.591 1.00 43.13 C ATOM 1598 CE LYS A 107 13.997 -16.326 2.390 1.00 64.11 C ATOM 1599 NZ LYS A 107 14.970 -15.215 2.586 1.00 72.42 N ATOM 0 H LYS A 107 9.630 -17.805 0.273 1.00 65.11 H new ATOM 0 HA LYS A 107 12.013 -17.263 -1.107 1.00 13.32 H new ATOM 0 HB2 LYS A 107 11.555 -19.020 1.338 1.00 52.43 H new ATOM 0 HB3 LYS A 107 13.080 -18.299 0.860 1.00 52.43 H new ATOM 0 HG2 LYS A 107 10.742 -16.467 1.282 1.00 15.03 H new ATOM 0 HG3 LYS A 107 11.486 -17.185 2.697 1.00 15.03 H new ATOM 0 HD2 LYS A 107 13.068 -15.720 0.552 1.00 43.13 H new ATOM 0 HD3 LYS A 107 12.423 -14.926 1.974 1.00 43.13 H new ATOM 0 HE2 LYS A 107 13.675 -16.702 3.361 1.00 64.11 H new ATOM 0 HE3 LYS A 107 14.488 -17.152 1.875 1.00 64.11 H new ATOM 0 HZ1 LYS A 107 15.838 -15.415 2.049 1.00 72.42 H new ATOM 0 HZ2 LYS A 107 14.552 -14.324 2.249 1.00 72.42 H new ATOM 0 HZ3 LYS A 107 15.200 -15.129 3.597 1.00 72.42 H new ATOM 1613 N ALA A 108 10.874 -20.240 -1.518 1.00 54.32 N ATOM 1614 CA ALA A 108 11.081 -21.512 -2.199 1.00 2.14 C ATOM 1615 C ALA A 108 11.001 -21.345 -3.712 1.00 53.41 C ATOM 1616 O ALA A 108 10.218 -20.538 -4.216 1.00 71.33 O ATOM 1617 CB ALA A 108 10.062 -22.537 -1.724 1.00 13.21 C ATOM 0 H ALA A 108 9.914 -20.075 -1.216 1.00 54.32 H new ATOM 0 HA ALA A 108 12.081 -21.869 -1.952 1.00 2.14 H new ATOM 0 HB1 ALA A 108 10.228 -23.482 -2.241 1.00 13.21 H new ATOM 0 HB2 ALA A 108 10.170 -22.687 -0.650 1.00 13.21 H new ATOM 0 HB3 ALA A 108 9.056 -22.177 -1.940 1.00 13.21 H new TER 1623 ALA A 108