USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 813 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 39 SER OG : rot 180:sc= -0.0408 USER MOD Set 1.2: A 40 SER OG : rot 180:sc= 0.132 USER MOD Set 1.3: A 41 SER OG : rot 180:sc= 0.0321 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 53:sc= -0.17! USER MOD Single : A 7 SER OG : rot 180:sc= -0.659 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 79:sc= 0.868 USER MOD Single : A 19 GLN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 150:sc= 0.298 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 150:sc= -3.21! USER MOD Single : A 35 MET CE :methyl 155:sc= -0.192 (180deg=-0.841) USER MOD Single : A 36 SER OG : rot 170:sc= -0.0465 USER MOD Single : A 37 LYS NZ :NH3+ -170:sc= -0.0149 (180deg=-0.132) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -2.42! K(o=-2.4!,f=-0.6) USER MOD Single : A 44 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.163) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.246 K(o=-0.25,f=-5.3!) USER MOD Single : A 55 SER OG : rot -114:sc= 0.935 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -1.55 K(o=-1.5,f=-2.5) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 52:sc= -0.104 USER MOD Single : A 80 SER OG : rot -7:sc= 0.742 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.306 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 88:sc= 1.26 USER MOD Single : A 91 HIS : no HD1:sc= -0.0327 X(o=-0.033,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -4.12 X(o=-4.1,f=-3.7) USER MOD Single : A 105 MET CE :methyl 126:sc= -5.4! (180deg=-7.44!) USER MOD Single : A 107 GLN : amide:sc= -1.72 K(o=-1.7,f=-0.16) USER MOD Single : A 108 SER OG : rot -52:sc= 0.746 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.211 0.075 -1.442 1.00 72.32 N ATOM 2 CA SER A 1 1.650 -0.151 -1.508 1.00 71.03 C ATOM 3 C SER A 1 1.956 -1.592 -1.906 1.00 41.34 C ATOM 4 O SER A 1 1.666 -2.529 -1.162 1.00 24.13 O ATOM 5 CB SER A 1 2.300 0.167 -0.160 1.00 73.42 C ATOM 6 OG SER A 1 3.713 0.130 -0.254 1.00 62.41 O ATOM 0 H1 SER A 1 0.027 1.062 -1.170 1.00 72.32 H new ATOM 0 H2 SER A 1 -0.213 -0.112 -2.373 1.00 72.32 H new ATOM 0 H3 SER A 1 -0.209 -0.563 -0.736 1.00 72.32 H new ATOM 0 HA SER A 1 2.063 0.513 -2.268 1.00 71.03 H new ATOM 0 HB2 SER A 1 1.981 1.153 0.178 1.00 73.42 H new ATOM 0 HB3 SER A 1 1.963 -0.551 0.588 1.00 73.42 H new ATOM 0 HG SER A 1 4.105 0.338 0.620 1.00 62.41 H new ATOM 12 N LEU A 2 2.544 -1.761 -3.086 1.00 14.52 N ATOM 13 CA LEU A 2 2.890 -3.087 -3.585 1.00 42.31 C ATOM 14 C LEU A 2 4.341 -3.428 -3.262 1.00 23.11 C ATOM 15 O LEU A 2 4.620 -4.197 -2.341 1.00 71.22 O ATOM 16 CB LEU A 2 2.661 -3.160 -5.096 1.00 23.53 C ATOM 17 CG LEU A 2 2.825 -4.541 -5.733 1.00 10.22 C ATOM 18 CD1 LEU A 2 1.477 -5.235 -5.857 1.00 4.25 C ATOM 19 CD2 LEU A 2 3.494 -4.424 -7.095 1.00 13.33 C ATOM 0 H LEU A 2 2.791 -0.996 -3.714 1.00 14.52 H new ATOM 0 HA LEU A 2 2.246 -3.814 -3.090 1.00 42.31 H new ATOM 0 HB2 LEU A 2 1.654 -2.801 -5.309 1.00 23.53 H new ATOM 0 HB3 LEU A 2 3.354 -2.473 -5.582 1.00 23.53 H new ATOM 0 HG LEU A 2 3.463 -5.144 -5.088 1.00 10.22 H new ATOM 0 HD11 LEU A 2 1.613 -6.216 -6.312 1.00 4.25 H new ATOM 0 HD12 LEU A 2 1.036 -5.352 -4.867 1.00 4.25 H new ATOM 0 HD13 LEU A 2 0.815 -4.635 -6.481 1.00 4.25 H new ATOM 0 HD21 LEU A 2 3.603 -5.416 -7.533 1.00 13.33 H new ATOM 0 HD22 LEU A 2 2.882 -3.803 -7.749 1.00 13.33 H new ATOM 0 HD23 LEU A 2 4.478 -3.969 -6.979 1.00 13.33 H new ATOM 31 N THR A 3 5.264 -2.850 -4.024 1.00 41.53 N ATOM 32 CA THR A 3 6.687 -3.091 -3.819 1.00 35.31 C ATOM 33 C THR A 3 6.983 -4.584 -3.724 1.00 54.44 C ATOM 34 O THR A 3 7.961 -4.994 -3.099 1.00 53.32 O ATOM 35 CB THR A 3 7.196 -2.397 -2.542 1.00 13.42 C ATOM 36 OG1 THR A 3 6.113 -2.201 -1.626 1.00 12.14 O ATOM 37 CG2 THR A 3 7.835 -1.056 -2.873 1.00 70.50 C ATOM 0 H THR A 3 5.051 -2.211 -4.790 1.00 41.53 H new ATOM 0 HA THR A 3 7.206 -2.674 -4.682 1.00 35.31 H new ATOM 0 HB THR A 3 7.949 -3.037 -2.083 1.00 13.42 H new ATOM 0 HG1 THR A 3 5.655 -3.054 -1.474 1.00 12.14 H new ATOM 0 HG21 THR A 3 8.187 -0.584 -1.956 1.00 70.50 H new ATOM 0 HG22 THR A 3 8.677 -1.211 -3.548 1.00 70.50 H new ATOM 0 HG23 THR A 3 7.099 -0.411 -3.353 1.00 70.50 H new ATOM 45 N ASP A 4 6.133 -5.391 -4.349 1.00 73.20 N ATOM 46 CA ASP A 4 6.305 -6.839 -4.337 1.00 33.32 C ATOM 47 C ASP A 4 6.447 -7.382 -5.756 1.00 3.45 C ATOM 48 O ASP A 4 6.684 -8.574 -5.954 1.00 3.42 O ATOM 49 CB ASP A 4 5.120 -7.509 -3.638 1.00 63.01 C ATOM 50 CG ASP A 4 5.366 -7.721 -2.157 1.00 50.42 C ATOM 51 OD1 ASP A 4 6.110 -6.916 -1.558 1.00 21.01 O ATOM 52 OD2 ASP A 4 4.813 -8.690 -1.597 1.00 64.11 O ATOM 0 H ASP A 4 5.318 -5.067 -4.870 1.00 73.20 H new ATOM 0 HA ASP A 4 7.218 -7.067 -3.787 1.00 33.32 H new ATOM 0 HB2 ASP A 4 4.229 -6.895 -3.771 1.00 63.01 H new ATOM 0 HB3 ASP A 4 4.919 -8.470 -4.111 1.00 63.01 H new ATOM 57 N ILE A 5 6.300 -6.499 -6.738 1.00 62.42 N ATOM 58 CA ILE A 5 6.413 -6.890 -8.138 1.00 33.11 C ATOM 59 C ILE A 5 7.132 -5.819 -8.951 1.00 70.44 C ATOM 60 O ILE A 5 7.980 -6.127 -9.790 1.00 4.51 O ATOM 61 CB ILE A 5 5.029 -7.151 -8.763 1.00 3.44 C ATOM 62 CG1 ILE A 5 4.261 -8.187 -7.940 1.00 11.32 C ATOM 63 CG2 ILE A 5 5.178 -7.615 -10.204 1.00 11.03 C ATOM 64 CD1 ILE A 5 3.379 -7.577 -6.872 1.00 61.44 C ATOM 0 H ILE A 5 6.103 -5.509 -6.590 1.00 62.42 H new ATOM 0 HA ILE A 5 6.993 -7.812 -8.163 1.00 33.11 H new ATOM 0 HB ILE A 5 4.463 -6.220 -8.759 1.00 3.44 H new ATOM 0 HG12 ILE A 5 3.645 -8.787 -8.610 1.00 11.32 H new ATOM 0 HG13 ILE A 5 4.973 -8.865 -7.469 1.00 11.32 H new ATOM 0 HG21 ILE A 5 4.192 -7.795 -10.632 1.00 11.03 H new ATOM 0 HG22 ILE A 5 5.690 -6.846 -10.783 1.00 11.03 H new ATOM 0 HG23 ILE A 5 5.759 -8.537 -10.231 1.00 11.03 H new ATOM 0 HD11 ILE A 5 2.865 -8.370 -6.328 1.00 61.44 H new ATOM 0 HD12 ILE A 5 3.992 -7.000 -6.179 1.00 61.44 H new ATOM 0 HD13 ILE A 5 2.644 -6.921 -7.338 1.00 61.44 H new ATOM 76 N LEU A 6 6.789 -4.561 -8.697 1.00 70.54 N ATOM 77 CA LEU A 6 7.403 -3.443 -9.405 1.00 23.23 C ATOM 78 C LEU A 6 7.912 -2.392 -8.424 1.00 13.43 C ATOM 79 O LEU A 6 7.471 -2.335 -7.276 1.00 2.23 O ATOM 80 CB LEU A 6 6.400 -2.812 -10.371 1.00 74.44 C ATOM 81 CG LEU A 6 6.159 -3.570 -11.678 1.00 0.32 C ATOM 82 CD1 LEU A 6 4.708 -3.436 -12.113 1.00 11.11 C ATOM 83 CD2 LEU A 6 7.093 -3.064 -12.767 1.00 42.24 C ATOM 0 H LEU A 6 6.089 -4.290 -8.006 1.00 70.54 H new ATOM 0 HA LEU A 6 8.251 -3.826 -9.972 1.00 23.23 H new ATOM 0 HB2 LEU A 6 5.446 -2.706 -9.855 1.00 74.44 H new ATOM 0 HB3 LEU A 6 6.744 -1.807 -10.615 1.00 74.44 H new ATOM 0 HG LEU A 6 6.370 -4.626 -11.508 1.00 0.32 H new ATOM 0 HD11 LEU A 6 4.555 -3.981 -13.044 1.00 11.11 H new ATOM 0 HD12 LEU A 6 4.057 -3.847 -11.341 1.00 11.11 H new ATOM 0 HD13 LEU A 6 4.470 -2.383 -12.266 1.00 11.11 H new ATOM 0 HD21 LEU A 6 6.908 -3.614 -13.690 1.00 42.24 H new ATOM 0 HD22 LEU A 6 6.914 -2.002 -12.936 1.00 42.24 H new ATOM 0 HD23 LEU A 6 8.127 -3.213 -12.457 1.00 42.24 H new ATOM 95 N SER A 7 8.840 -1.559 -8.885 1.00 31.33 N ATOM 96 CA SER A 7 9.410 -0.510 -8.047 1.00 74.15 C ATOM 97 C SER A 7 8.425 0.643 -7.877 1.00 3.02 C ATOM 98 O SER A 7 7.481 0.807 -8.650 1.00 45.12 O ATOM 99 CB SER A 7 10.715 0.005 -8.656 1.00 63.22 C ATOM 100 OG SER A 7 11.808 -0.217 -7.782 1.00 21.41 O ATOM 0 H SER A 7 9.213 -1.590 -9.834 1.00 31.33 H new ATOM 0 HA SER A 7 9.619 -0.935 -7.065 1.00 74.15 H new ATOM 0 HB2 SER A 7 10.898 -0.495 -9.607 1.00 63.22 H new ATOM 0 HB3 SER A 7 10.625 1.070 -8.868 1.00 63.22 H new ATOM 0 HG SER A 7 12.631 0.119 -8.195 1.00 21.41 H new ATOM 106 N PRO A 8 8.649 1.462 -6.839 1.00 4.42 N ATOM 107 CA PRO A 8 7.794 2.615 -6.541 1.00 42.21 C ATOM 108 C PRO A 8 7.938 3.726 -7.575 1.00 44.34 C ATOM 109 O PRO A 8 6.946 4.238 -8.093 1.00 13.21 O ATOM 110 CB PRO A 8 8.298 3.087 -5.175 1.00 43.51 C ATOM 111 CG PRO A 8 9.711 2.620 -5.111 1.00 5.44 C ATOM 112 CD PRO A 8 9.755 1.327 -5.876 1.00 64.20 C ATOM 0 HA PRO A 8 6.736 2.352 -6.552 1.00 42.21 H new ATOM 0 HB2 PRO A 8 8.235 4.171 -5.083 1.00 43.51 H new ATOM 0 HB3 PRO A 8 7.704 2.663 -4.366 1.00 43.51 H new ATOM 0 HG2 PRO A 8 10.385 3.356 -5.549 1.00 5.44 H new ATOM 0 HG3 PRO A 8 10.027 2.473 -4.078 1.00 5.44 H new ATOM 0 HD2 PRO A 8 10.712 1.191 -6.380 1.00 64.20 H new ATOM 0 HD3 PRO A 8 9.614 0.467 -5.221 1.00 64.20 H new ATOM 120 N SER A 9 9.181 4.095 -7.872 1.00 75.55 N ATOM 121 CA SER A 9 9.454 5.148 -8.843 1.00 62.21 C ATOM 122 C SER A 9 8.755 4.860 -10.168 1.00 41.33 C ATOM 123 O SER A 9 8.125 5.741 -10.754 1.00 75.30 O ATOM 124 CB SER A 9 10.961 5.285 -9.068 1.00 23.43 C ATOM 125 OG SER A 9 11.537 4.043 -9.434 1.00 60.32 O ATOM 0 H SER A 9 10.014 3.680 -7.454 1.00 75.55 H new ATOM 0 HA SER A 9 9.066 6.085 -8.444 1.00 62.21 H new ATOM 0 HB2 SER A 9 11.150 6.021 -9.849 1.00 23.43 H new ATOM 0 HB3 SER A 9 11.435 5.656 -8.159 1.00 23.43 H new ATOM 0 HG SER A 9 12.500 4.158 -9.574 1.00 60.32 H new ATOM 131 N ASP A 10 8.872 3.622 -10.635 1.00 11.00 N ATOM 132 CA ASP A 10 8.251 3.216 -11.891 1.00 11.35 C ATOM 133 C ASP A 10 6.739 3.412 -11.837 1.00 50.01 C ATOM 134 O ASP A 10 6.112 3.757 -12.839 1.00 63.35 O ATOM 135 CB ASP A 10 8.578 1.754 -12.197 1.00 32.24 C ATOM 136 CG ASP A 10 10.039 1.548 -12.546 1.00 54.02 C ATOM 137 OD1 ASP A 10 10.847 2.462 -12.279 1.00 64.41 O ATOM 138 OD2 ASP A 10 10.373 0.473 -13.086 1.00 42.11 O ATOM 0 H ASP A 10 9.391 2.882 -10.163 1.00 11.00 H new ATOM 0 HA ASP A 10 8.653 3.844 -12.687 1.00 11.35 H new ATOM 0 HB2 ASP A 10 8.324 1.139 -11.333 1.00 32.24 H new ATOM 0 HB3 ASP A 10 7.958 1.412 -13.025 1.00 32.24 H new ATOM 143 N ILE A 11 6.160 3.189 -10.662 1.00 52.03 N ATOM 144 CA ILE A 11 4.722 3.341 -10.479 1.00 32.01 C ATOM 145 C ILE A 11 4.331 4.812 -10.393 1.00 1.52 C ATOM 146 O ILE A 11 3.450 5.275 -11.117 1.00 65.24 O ATOM 147 CB ILE A 11 4.237 2.617 -9.209 1.00 14.51 C ATOM 148 CG1 ILE A 11 4.512 1.116 -9.314 1.00 53.04 C ATOM 149 CG2 ILE A 11 2.754 2.875 -8.986 1.00 51.50 C ATOM 150 CD1 ILE A 11 4.688 0.438 -7.974 1.00 4.44 C ATOM 0 H ILE A 11 6.664 2.903 -9.823 1.00 52.03 H new ATOM 0 HA ILE A 11 4.244 2.891 -11.349 1.00 32.01 H new ATOM 0 HB ILE A 11 4.787 3.009 -8.353 1.00 14.51 H new ATOM 0 HG12 ILE A 11 3.689 0.641 -9.847 1.00 53.04 H new ATOM 0 HG13 ILE A 11 5.410 0.961 -9.911 1.00 53.04 H new ATOM 0 HG21 ILE A 11 2.426 2.357 -8.085 1.00 51.50 H new ATOM 0 HG22 ILE A 11 2.584 3.946 -8.871 1.00 51.50 H new ATOM 0 HG23 ILE A 11 2.188 2.508 -9.842 1.00 51.50 H new ATOM 0 HD11 ILE A 11 4.880 -0.624 -8.126 1.00 4.44 H new ATOM 0 HD12 ILE A 11 5.530 0.887 -7.447 1.00 4.44 H new ATOM 0 HD13 ILE A 11 3.781 0.562 -7.382 1.00 4.44 H new ATOM 162 N ALA A 12 4.994 5.544 -9.503 1.00 33.23 N ATOM 163 CA ALA A 12 4.719 6.964 -9.324 1.00 53.14 C ATOM 164 C ALA A 12 4.879 7.723 -10.637 1.00 54.32 C ATOM 165 O ALA A 12 4.308 8.799 -10.817 1.00 31.34 O ATOM 166 CB ALA A 12 5.634 7.549 -8.259 1.00 41.32 C ATOM 0 H ALA A 12 5.726 5.176 -8.895 1.00 33.23 H new ATOM 0 HA ALA A 12 3.685 7.070 -8.996 1.00 53.14 H new ATOM 0 HB1 ALA A 12 5.417 8.610 -8.136 1.00 41.32 H new ATOM 0 HB2 ALA A 12 5.468 7.033 -7.313 1.00 41.32 H new ATOM 0 HB3 ALA A 12 6.673 7.424 -8.563 1.00 41.32 H new ATOM 172 N ALA A 13 5.659 7.157 -11.552 1.00 31.23 N ATOM 173 CA ALA A 13 5.893 7.780 -12.849 1.00 15.05 C ATOM 174 C ALA A 13 4.747 7.488 -13.812 1.00 43.12 C ATOM 175 O ALA A 13 4.519 8.234 -14.764 1.00 63.01 O ATOM 176 CB ALA A 13 7.213 7.301 -13.434 1.00 54.11 C ATOM 0 H ALA A 13 6.140 6.267 -11.419 1.00 31.23 H new ATOM 0 HA ALA A 13 5.944 8.859 -12.703 1.00 15.05 H new ATOM 0 HB1 ALA A 13 7.375 7.774 -14.402 1.00 54.11 H new ATOM 0 HB2 ALA A 13 8.027 7.566 -12.760 1.00 54.11 H new ATOM 0 HB3 ALA A 13 7.184 6.219 -13.559 1.00 54.11 H new ATOM 182 N ALA A 14 4.030 6.398 -13.559 1.00 43.20 N ATOM 183 CA ALA A 14 2.908 6.009 -14.404 1.00 31.14 C ATOM 184 C ALA A 14 1.595 6.562 -13.861 1.00 53.30 C ATOM 185 O ALA A 14 0.648 6.794 -14.615 1.00 2.25 O ATOM 186 CB ALA A 14 2.836 4.494 -14.521 1.00 21.55 C ATOM 0 H ALA A 14 4.206 5.769 -12.776 1.00 43.20 H new ATOM 0 HA ALA A 14 3.068 6.432 -15.396 1.00 31.14 H new ATOM 0 HB1 ALA A 14 1.993 4.218 -15.155 1.00 21.55 H new ATOM 0 HB2 ALA A 14 3.760 4.119 -14.961 1.00 21.55 H new ATOM 0 HB3 ALA A 14 2.703 4.058 -13.531 1.00 21.55 H new ATOM 192 N LEU A 15 1.543 6.772 -12.550 1.00 60.52 N ATOM 193 CA LEU A 15 0.344 7.298 -11.906 1.00 65.41 C ATOM 194 C LEU A 15 0.116 8.756 -12.290 1.00 12.15 C ATOM 195 O LEU A 15 -0.973 9.130 -12.726 1.00 42.04 O ATOM 196 CB LEU A 15 0.461 7.170 -10.386 1.00 52.21 C ATOM 197 CG LEU A 15 0.303 5.760 -9.817 1.00 21.12 C ATOM 198 CD1 LEU A 15 0.425 5.779 -8.301 1.00 11.50 C ATOM 199 CD2 LEU A 15 -1.030 5.160 -10.239 1.00 13.32 C ATOM 0 H LEU A 15 2.317 6.586 -11.912 1.00 60.52 H new ATOM 0 HA LEU A 15 -0.510 6.714 -12.249 1.00 65.41 H new ATOM 0 HB2 LEU A 15 1.434 7.555 -10.083 1.00 52.21 H new ATOM 0 HB3 LEU A 15 -0.292 7.811 -9.928 1.00 52.21 H new ATOM 0 HG LEU A 15 1.102 5.136 -10.218 1.00 21.12 H new ATOM 0 HD11 LEU A 15 0.310 4.767 -7.914 1.00 11.50 H new ATOM 0 HD12 LEU A 15 1.404 6.166 -8.020 1.00 11.50 H new ATOM 0 HD13 LEU A 15 -0.352 6.418 -7.881 1.00 11.50 H new ATOM 0 HD21 LEU A 15 -1.125 4.156 -9.825 1.00 13.32 H new ATOM 0 HD22 LEU A 15 -1.843 5.784 -9.868 1.00 13.32 H new ATOM 0 HD23 LEU A 15 -1.078 5.109 -11.327 1.00 13.32 H new ATOM 211 N ARG A 16 1.150 9.575 -12.125 1.00 74.10 N ATOM 212 CA ARG A 16 1.062 10.992 -12.455 1.00 13.31 C ATOM 213 C ARG A 16 0.987 11.195 -13.965 1.00 51.34 C ATOM 214 O ARG A 16 0.452 12.197 -14.441 1.00 75.44 O ATOM 215 CB ARG A 16 2.266 11.746 -11.887 1.00 61.53 C ATOM 216 CG ARG A 16 2.477 11.523 -10.399 1.00 24.03 C ATOM 217 CD ARG A 16 3.375 12.593 -9.797 1.00 64.34 C ATOM 218 NE ARG A 16 2.795 13.927 -9.921 1.00 2.31 N ATOM 219 CZ ARG A 16 1.795 14.366 -9.166 1.00 15.33 C ATOM 220 NH1 ARG A 16 1.266 13.581 -8.237 1.00 61.14 N ATOM 221 NH2 ARG A 16 1.321 15.594 -9.338 1.00 33.30 N ATOM 0 H ARG A 16 2.058 9.281 -11.765 1.00 74.10 H new ATOM 0 HA ARG A 16 0.150 11.387 -12.007 1.00 13.31 H new ATOM 0 HB2 ARG A 16 3.163 11.437 -12.423 1.00 61.53 H new ATOM 0 HB3 ARG A 16 2.136 12.812 -12.071 1.00 61.53 H new ATOM 0 HG2 ARG A 16 1.514 11.526 -9.889 1.00 24.03 H new ATOM 0 HG3 ARG A 16 2.920 10.541 -10.236 1.00 24.03 H new ATOM 0 HD2 ARG A 16 3.549 12.370 -8.744 1.00 64.34 H new ATOM 0 HD3 ARG A 16 4.346 12.572 -10.292 1.00 64.34 H new ATOM 0 HE ARG A 16 3.179 14.556 -10.626 1.00 2.31 H new ATOM 0 HH11 ARG A 16 1.627 12.637 -8.101 1.00 61.14 H new ATOM 0 HH12 ARG A 16 0.498 13.921 -7.659 1.00 61.14 H new ATOM 0 HH21 ARG A 16 1.725 16.201 -10.051 1.00 33.30 H new ATOM 0 HH22 ARG A 16 0.553 15.930 -8.757 1.00 33.30 H new ATOM 235 N ASP A 17 1.527 10.239 -14.713 1.00 3.41 N ATOM 236 CA ASP A 17 1.522 10.313 -16.169 1.00 74.44 C ATOM 237 C ASP A 17 0.096 10.421 -16.702 1.00 44.24 C ATOM 238 O ASP A 17 -0.197 11.266 -17.549 1.00 74.24 O ATOM 239 CB ASP A 17 2.210 9.084 -16.766 1.00 2.02 C ATOM 240 CG ASP A 17 1.806 8.836 -18.206 1.00 30.23 C ATOM 241 OD1 ASP A 17 2.109 9.692 -19.063 1.00 21.14 O ATOM 242 OD2 ASP A 17 1.186 7.786 -18.476 1.00 32.33 O ATOM 0 H ASP A 17 1.974 9.404 -14.335 1.00 3.41 H new ATOM 0 HA ASP A 17 2.071 11.207 -16.465 1.00 74.44 H new ATOM 0 HB2 ASP A 17 3.291 9.215 -16.712 1.00 2.02 H new ATOM 0 HB3 ASP A 17 1.965 8.207 -16.167 1.00 2.02 H new ATOM 247 N CYS A 18 -0.784 9.561 -16.202 1.00 42.41 N ATOM 248 CA CYS A 18 -2.179 9.559 -16.629 1.00 45.35 C ATOM 249 C CYS A 18 -3.116 9.593 -15.427 1.00 23.54 C ATOM 250 O CYS A 18 -4.109 8.868 -15.382 1.00 72.44 O ATOM 251 CB CYS A 18 -2.470 8.325 -17.484 1.00 42.14 C ATOM 252 SG CYS A 18 -1.811 8.420 -19.166 1.00 34.33 S ATOM 0 H CYS A 18 -0.557 8.856 -15.501 1.00 42.41 H new ATOM 0 HA CYS A 18 -2.352 10.455 -17.226 1.00 45.35 H new ATOM 0 HB2 CYS A 18 -2.052 7.448 -16.991 1.00 42.14 H new ATOM 0 HB3 CYS A 18 -3.549 8.178 -17.536 1.00 42.14 H new ATOM 0 HG CYS A 18 -0.536 8.166 -19.148 1.00 34.33 H new ATOM 258 N GLN A 19 -2.791 10.437 -14.453 1.00 50.22 N ATOM 259 CA GLN A 19 -3.603 10.562 -13.249 1.00 11.43 C ATOM 260 C GLN A 19 -4.984 11.119 -13.579 1.00 33.42 C ATOM 261 O GLN A 19 -5.972 10.782 -12.926 1.00 2.42 O ATOM 262 CB GLN A 19 -2.906 11.466 -12.230 1.00 54.21 C ATOM 263 CG GLN A 19 -2.442 12.792 -12.811 1.00 13.34 C ATOM 264 CD GLN A 19 -2.215 13.848 -11.746 1.00 61.33 C ATOM 265 OE1 GLN A 19 -2.814 14.923 -11.784 1.00 45.10 O ATOM 266 NE2 GLN A 19 -1.346 13.545 -10.789 1.00 12.45 N ATOM 0 H GLN A 19 -1.972 11.044 -14.474 1.00 50.22 H new ATOM 0 HA GLN A 19 -3.725 9.568 -12.819 1.00 11.43 H new ATOM 0 HB2 GLN A 19 -3.588 11.660 -11.402 1.00 54.21 H new ATOM 0 HB3 GLN A 19 -2.046 10.939 -11.817 1.00 54.21 H new ATOM 0 HG2 GLN A 19 -1.517 12.637 -13.367 1.00 13.34 H new ATOM 0 HG3 GLN A 19 -3.185 13.153 -13.522 1.00 13.34 H new ATOM 0 HE21 GLN A 19 -0.873 12.642 -10.797 1.00 12.45 H new ATOM 0 HE22 GLN A 19 -1.152 14.216 -10.045 1.00 12.45 H new ATOM 275 N ALA A 20 -5.046 11.972 -14.596 1.00 63.51 N ATOM 276 CA ALA A 20 -6.306 12.573 -15.014 1.00 0.03 C ATOM 277 C ALA A 20 -7.382 11.511 -15.212 1.00 32.03 C ATOM 278 O ALA A 20 -7.097 10.354 -15.520 1.00 60.32 O ATOM 279 CB ALA A 20 -6.110 13.374 -16.293 1.00 34.24 C ATOM 0 H ALA A 20 -4.238 12.262 -15.146 1.00 63.51 H new ATOM 0 HA ALA A 20 -6.639 13.246 -14.224 1.00 0.03 H new ATOM 0 HB1 ALA A 20 -7.059 13.817 -16.594 1.00 34.24 H new ATOM 0 HB2 ALA A 20 -5.379 14.164 -16.119 1.00 34.24 H new ATOM 0 HB3 ALA A 20 -5.751 12.715 -17.083 1.00 34.24 H new ATOM 285 N PRO A 21 -8.650 11.911 -15.030 1.00 24.41 N ATOM 286 CA PRO A 21 -9.794 11.008 -15.183 1.00 71.53 C ATOM 287 C PRO A 21 -10.026 10.607 -16.636 1.00 64.32 C ATOM 288 O PRO A 21 -9.855 11.416 -17.548 1.00 64.01 O ATOM 289 CB PRO A 21 -10.972 11.836 -14.663 1.00 24.31 C ATOM 290 CG PRO A 21 -10.554 13.252 -14.857 1.00 43.34 C ATOM 291 CD PRO A 21 -9.063 13.275 -14.661 1.00 60.02 C ATOM 0 HA PRO A 21 -9.646 10.069 -14.649 1.00 71.53 H new ATOM 0 HB2 PRO A 21 -11.886 11.614 -15.214 1.00 24.31 H new ATOM 0 HB3 PRO A 21 -11.173 11.623 -13.613 1.00 24.31 H new ATOM 0 HG2 PRO A 21 -10.822 13.605 -15.853 1.00 43.34 H new ATOM 0 HG3 PRO A 21 -11.052 13.907 -14.142 1.00 43.34 H new ATOM 0 HD2 PRO A 21 -8.586 14.024 -15.293 1.00 60.02 H new ATOM 0 HD3 PRO A 21 -8.797 13.511 -13.631 1.00 60.02 H new ATOM 299 N ASP A 22 -10.416 9.354 -16.844 1.00 44.04 N ATOM 300 CA ASP A 22 -10.672 8.846 -18.187 1.00 52.32 C ATOM 301 C ASP A 22 -9.437 8.996 -19.070 1.00 20.41 C ATOM 302 O ASP A 22 -9.537 9.014 -20.297 1.00 11.44 O ATOM 303 CB ASP A 22 -11.856 9.583 -18.816 1.00 60.43 C ATOM 304 CG ASP A 22 -12.572 8.745 -19.857 1.00 61.43 C ATOM 305 OD1 ASP A 22 -12.083 7.638 -20.167 1.00 33.52 O ATOM 306 OD2 ASP A 22 -13.621 9.195 -20.362 1.00 13.41 O ATOM 0 H ASP A 22 -10.562 8.672 -16.100 1.00 44.04 H new ATOM 0 HA ASP A 22 -10.913 7.786 -18.108 1.00 52.32 H new ATOM 0 HB2 ASP A 22 -12.561 9.866 -18.034 1.00 60.43 H new ATOM 0 HB3 ASP A 22 -11.503 10.506 -19.277 1.00 60.43 H new ATOM 311 N SER A 23 -8.273 9.103 -18.437 1.00 70.40 N ATOM 312 CA SER A 23 -7.019 9.255 -19.165 1.00 4.44 C ATOM 313 C SER A 23 -6.187 7.978 -19.088 1.00 53.43 C ATOM 314 O SER A 23 -5.521 7.599 -20.051 1.00 45.44 O ATOM 315 CB SER A 23 -6.219 10.432 -18.603 1.00 2.42 C ATOM 316 OG SER A 23 -5.483 11.083 -19.624 1.00 54.34 O ATOM 0 H SER A 23 -8.172 9.087 -17.422 1.00 70.40 H new ATOM 0 HA SER A 23 -7.256 9.451 -20.211 1.00 4.44 H new ATOM 0 HB2 SER A 23 -6.896 11.143 -18.129 1.00 2.42 H new ATOM 0 HB3 SER A 23 -5.538 10.077 -17.830 1.00 2.42 H new ATOM 0 HG SER A 23 -4.982 11.832 -19.239 1.00 54.34 H new ATOM 322 N PHE A 24 -6.232 7.319 -17.936 1.00 32.34 N ATOM 323 CA PHE A 24 -5.483 6.084 -17.731 1.00 40.44 C ATOM 324 C PHE A 24 -5.990 4.981 -18.656 1.00 4.40 C ATOM 325 O PHE A 24 -7.055 5.104 -19.261 1.00 3.02 O ATOM 326 CB PHE A 24 -5.591 5.633 -16.273 1.00 65.24 C ATOM 327 CG PHE A 24 -4.367 4.917 -15.776 1.00 14.23 C ATOM 328 CD1 PHE A 24 -3.257 5.629 -15.350 1.00 72.13 C ATOM 329 CD2 PHE A 24 -4.328 3.533 -15.733 1.00 22.13 C ATOM 330 CE1 PHE A 24 -2.130 4.973 -14.893 1.00 32.23 C ATOM 331 CE2 PHE A 24 -3.204 2.871 -15.276 1.00 4.24 C ATOM 332 CZ PHE A 24 -2.104 3.592 -14.854 1.00 42.31 C ATOM 0 H PHE A 24 -6.779 7.619 -17.129 1.00 32.34 H new ATOM 0 HA PHE A 24 -4.437 6.279 -17.967 1.00 40.44 H new ATOM 0 HB2 PHE A 24 -5.773 6.504 -15.644 1.00 65.24 H new ATOM 0 HB3 PHE A 24 -6.455 4.977 -16.167 1.00 65.24 H new ATOM 0 HD1 PHE A 24 -3.273 6.709 -15.375 1.00 72.13 H new ATOM 0 HD2 PHE A 24 -5.186 2.965 -16.060 1.00 22.13 H new ATOM 0 HE1 PHE A 24 -1.270 5.539 -14.567 1.00 32.23 H new ATOM 0 HE2 PHE A 24 -3.186 1.791 -15.249 1.00 4.24 H new ATOM 0 HZ PHE A 24 -1.225 3.077 -14.494 1.00 42.31 H new ATOM 342 N SER A 25 -5.218 3.904 -18.761 1.00 1.25 N ATOM 343 CA SER A 25 -5.585 2.781 -19.614 1.00 72.44 C ATOM 344 C SER A 25 -5.007 1.476 -19.074 1.00 52.12 C ATOM 345 O SER A 25 -3.965 1.453 -18.419 1.00 42.25 O ATOM 346 CB SER A 25 -5.093 3.017 -21.044 1.00 20.44 C ATOM 347 OG SER A 25 -4.747 1.795 -21.672 1.00 73.42 O ATOM 0 H SER A 25 -4.334 3.786 -18.266 1.00 1.25 H new ATOM 0 HA SER A 25 -6.672 2.701 -19.620 1.00 72.44 H new ATOM 0 HB2 SER A 25 -5.870 3.519 -21.621 1.00 20.44 H new ATOM 0 HB3 SER A 25 -4.228 3.680 -21.030 1.00 20.44 H new ATOM 0 HG SER A 25 -4.901 1.868 -22.637 1.00 73.42 H new ATOM 353 N PRO A 26 -5.700 0.362 -19.354 1.00 41.24 N ATOM 354 CA PRO A 26 -5.275 -0.968 -18.907 1.00 52.42 C ATOM 355 C PRO A 26 -4.021 -1.449 -19.629 1.00 2.44 C ATOM 356 O PRO A 26 -3.384 -2.416 -19.211 1.00 1.13 O ATOM 357 CB PRO A 26 -6.469 -1.858 -19.259 1.00 73.31 C ATOM 358 CG PRO A 26 -7.149 -1.154 -20.382 1.00 14.11 C ATOM 359 CD PRO A 26 -6.951 0.315 -20.130 1.00 2.21 C ATOM 0 HA PRO A 26 -5.015 -0.979 -17.849 1.00 52.42 H new ATOM 0 HB2 PRO A 26 -6.145 -2.856 -19.556 1.00 73.31 H new ATOM 0 HB3 PRO A 26 -7.137 -1.980 -18.406 1.00 73.31 H new ATOM 0 HG2 PRO A 26 -6.722 -1.446 -21.341 1.00 14.11 H new ATOM 0 HG3 PRO A 26 -8.209 -1.405 -20.415 1.00 14.11 H new ATOM 0 HD2 PRO A 26 -6.867 0.875 -21.061 1.00 2.21 H new ATOM 0 HD3 PRO A 26 -7.785 0.743 -19.574 1.00 2.21 H new ATOM 367 N LYS A 27 -3.670 -0.767 -20.714 1.00 74.42 N ATOM 368 CA LYS A 27 -2.491 -1.123 -21.494 1.00 22.42 C ATOM 369 C LYS A 27 -1.513 0.045 -21.566 1.00 54.43 C ATOM 370 O LYS A 27 -0.676 0.113 -22.466 1.00 41.13 O ATOM 371 CB LYS A 27 -2.897 -1.551 -22.906 1.00 53.50 C ATOM 372 CG LYS A 27 -3.452 -0.415 -23.749 1.00 34.34 C ATOM 373 CD LYS A 27 -4.944 -0.578 -23.991 1.00 23.04 C ATOM 374 CE LYS A 27 -5.235 -1.768 -24.892 1.00 35.24 C ATOM 375 NZ LYS A 27 -5.341 -1.368 -26.322 1.00 72.12 N ATOM 0 H LYS A 27 -4.186 0.036 -21.073 1.00 74.42 H new ATOM 0 HA LYS A 27 -1.996 -1.958 -20.997 1.00 22.42 H new ATOM 0 HB2 LYS A 27 -2.030 -1.977 -23.411 1.00 53.50 H new ATOM 0 HB3 LYS A 27 -3.646 -2.340 -22.836 1.00 53.50 H new ATOM 0 HG2 LYS A 27 -3.265 0.535 -23.249 1.00 34.34 H new ATOM 0 HG3 LYS A 27 -2.929 -0.381 -24.705 1.00 34.34 H new ATOM 0 HD2 LYS A 27 -5.456 -0.708 -23.038 1.00 23.04 H new ATOM 0 HD3 LYS A 27 -5.341 0.330 -24.445 1.00 23.04 H new ATOM 0 HE2 LYS A 27 -4.444 -2.510 -24.780 1.00 35.24 H new ATOM 0 HE3 LYS A 27 -6.165 -2.243 -24.578 1.00 35.24 H new ATOM 0 HZ1 LYS A 27 -5.540 -2.207 -26.903 1.00 72.12 H new ATOM 0 HZ2 LYS A 27 -6.112 -0.679 -26.434 1.00 72.12 H new ATOM 0 HZ3 LYS A 27 -4.445 -0.938 -26.630 1.00 72.12 H new ATOM 389 N LYS A 28 -1.625 0.964 -20.613 1.00 24.35 N ATOM 390 CA LYS A 28 -0.749 2.129 -20.566 1.00 33.12 C ATOM 391 C LYS A 28 -0.039 2.222 -19.219 1.00 41.22 C ATOM 392 O LYS A 28 0.491 3.273 -18.857 1.00 70.11 O ATOM 393 CB LYS A 28 -1.553 3.406 -20.820 1.00 43.42 C ATOM 394 CG LYS A 28 -1.916 3.616 -22.280 1.00 34.40 C ATOM 395 CD LYS A 28 -0.815 4.346 -23.030 1.00 12.21 C ATOM 396 CE LYS A 28 -1.244 5.753 -23.419 1.00 32.40 C ATOM 397 NZ LYS A 28 -1.996 5.768 -24.705 1.00 24.44 N ATOM 0 H LYS A 28 -2.314 0.925 -19.862 1.00 24.35 H new ATOM 0 HA LYS A 28 0.004 2.019 -21.346 1.00 33.12 H new ATOM 0 HB2 LYS A 28 -2.468 3.373 -20.228 1.00 43.42 H new ATOM 0 HB3 LYS A 28 -0.978 4.263 -20.470 1.00 43.42 H new ATOM 0 HG2 LYS A 28 -2.101 2.651 -22.752 1.00 34.40 H new ATOM 0 HG3 LYS A 28 -2.843 4.186 -22.347 1.00 34.40 H new ATOM 0 HD2 LYS A 28 0.079 4.396 -22.408 1.00 12.21 H new ATOM 0 HD3 LYS A 28 -0.549 3.785 -23.926 1.00 12.21 H new ATOM 0 HE2 LYS A 28 -1.866 6.174 -22.629 1.00 32.40 H new ATOM 0 HE3 LYS A 28 -0.364 6.390 -23.505 1.00 32.40 H new ATOM 0 HZ1 LYS A 28 -2.271 6.744 -24.935 1.00 24.44 H new ATOM 0 HZ2 LYS A 28 -1.394 5.390 -25.464 1.00 24.44 H new ATOM 0 HZ3 LYS A 28 -2.849 5.181 -24.615 1.00 24.44 H new ATOM 411 N PHE A 29 -0.031 1.117 -18.482 1.00 24.41 N ATOM 412 CA PHE A 29 0.616 1.074 -17.175 1.00 75.13 C ATOM 413 C PHE A 29 1.752 0.056 -17.164 1.00 3.13 C ATOM 414 O PHE A 29 2.608 0.075 -16.279 1.00 21.53 O ATOM 415 CB PHE A 29 -0.405 0.728 -16.089 1.00 71.12 C ATOM 416 CG PHE A 29 0.171 0.733 -14.702 1.00 72.40 C ATOM 417 CD1 PHE A 29 1.156 1.641 -14.350 1.00 32.04 C ATOM 418 CD2 PHE A 29 -0.273 -0.172 -13.751 1.00 5.04 C ATOM 419 CE1 PHE A 29 1.688 1.648 -13.074 1.00 13.32 C ATOM 420 CE2 PHE A 29 0.255 -0.169 -12.473 1.00 63.12 C ATOM 421 CZ PHE A 29 1.237 0.741 -12.135 1.00 4.22 C ATOM 0 H PHE A 29 -0.465 0.239 -18.767 1.00 24.41 H new ATOM 0 HA PHE A 29 1.034 2.060 -16.971 1.00 75.13 H new ATOM 0 HB2 PHE A 29 -1.228 1.441 -16.135 1.00 71.12 H new ATOM 0 HB3 PHE A 29 -0.824 -0.256 -16.296 1.00 71.12 H new ATOM 0 HD1 PHE A 29 1.513 2.352 -15.081 1.00 32.04 H new ATOM 0 HD2 PHE A 29 -1.039 -0.887 -14.011 1.00 5.04 H new ATOM 0 HE1 PHE A 29 2.455 2.362 -12.812 1.00 13.32 H new ATOM 0 HE2 PHE A 29 -0.100 -0.878 -11.740 1.00 63.12 H new ATOM 0 HZ PHE A 29 1.652 0.744 -11.138 1.00 4.22 H new ATOM 431 N PHE A 30 1.754 -0.832 -18.153 1.00 13.35 N ATOM 432 CA PHE A 30 2.784 -1.859 -18.256 1.00 55.13 C ATOM 433 C PHE A 30 4.005 -1.331 -19.002 1.00 43.33 C ATOM 434 O PHE A 30 5.049 -1.981 -19.042 1.00 63.03 O ATOM 435 CB PHE A 30 2.231 -3.095 -18.970 1.00 2.44 C ATOM 436 CG PHE A 30 2.229 -2.972 -20.467 1.00 13.44 C ATOM 437 CD1 PHE A 30 1.135 -2.438 -21.129 1.00 71.22 C ATOM 438 CD2 PHE A 30 3.320 -3.389 -21.211 1.00 42.31 C ATOM 439 CE1 PHE A 30 1.130 -2.325 -22.507 1.00 12.44 C ATOM 440 CE2 PHE A 30 3.321 -3.277 -22.589 1.00 20.22 C ATOM 441 CZ PHE A 30 2.225 -2.743 -23.237 1.00 73.52 C ATOM 0 H PHE A 30 1.054 -0.861 -18.894 1.00 13.35 H new ATOM 0 HA PHE A 30 3.089 -2.136 -17.247 1.00 55.13 H new ATOM 0 HB2 PHE A 30 2.824 -3.964 -18.686 1.00 2.44 H new ATOM 0 HB3 PHE A 30 1.213 -3.278 -18.627 1.00 2.44 H new ATOM 0 HD1 PHE A 30 0.277 -2.107 -20.563 1.00 71.22 H new ATOM 0 HD2 PHE A 30 4.180 -3.807 -20.709 1.00 42.31 H new ATOM 0 HE1 PHE A 30 0.270 -1.910 -23.012 1.00 12.44 H new ATOM 0 HE2 PHE A 30 4.178 -3.607 -23.158 1.00 20.22 H new ATOM 0 HZ PHE A 30 2.224 -2.652 -24.313 1.00 73.52 H new ATOM 451 N GLN A 31 3.865 -0.148 -19.592 1.00 44.20 N ATOM 452 CA GLN A 31 4.957 0.467 -20.338 1.00 11.31 C ATOM 453 C GLN A 31 5.780 1.386 -19.440 1.00 71.55 C ATOM 454 O GLN A 31 6.992 1.516 -19.615 1.00 30.14 O ATOM 455 CB GLN A 31 4.408 1.256 -21.528 1.00 65.35 C ATOM 456 CG GLN A 31 3.122 0.680 -22.098 1.00 50.45 C ATOM 457 CD GLN A 31 2.637 1.434 -23.321 1.00 63.14 C ATOM 458 OE1 GLN A 31 2.515 0.866 -24.407 1.00 21.41 O ATOM 459 NE2 GLN A 31 2.358 2.721 -23.152 1.00 33.12 N ATOM 0 H GLN A 31 3.007 0.403 -19.568 1.00 44.20 H new ATOM 0 HA GLN A 31 5.606 -0.328 -20.706 1.00 11.31 H new ATOM 0 HB2 GLN A 31 4.230 2.286 -21.219 1.00 65.35 H new ATOM 0 HB3 GLN A 31 5.163 1.285 -22.314 1.00 65.35 H new ATOM 0 HG2 GLN A 31 3.282 -0.366 -22.360 1.00 50.45 H new ATOM 0 HG3 GLN A 31 2.347 0.702 -21.331 1.00 50.45 H new ATOM 0 HE21 GLN A 31 2.473 3.152 -22.235 1.00 33.12 H new ATOM 0 HE22 GLN A 31 2.028 3.279 -23.940 1.00 33.12 H new ATOM 468 N ILE A 32 5.114 2.020 -18.482 1.00 31.35 N ATOM 469 CA ILE A 32 5.784 2.925 -17.557 1.00 4.12 C ATOM 470 C ILE A 32 6.219 2.195 -16.291 1.00 23.13 C ATOM 471 O ILE A 32 7.174 2.598 -15.627 1.00 23.54 O ATOM 472 CB ILE A 32 4.876 4.107 -17.168 1.00 65.11 C ATOM 473 CG1 ILE A 32 4.459 4.889 -18.415 1.00 74.11 C ATOM 474 CG2 ILE A 32 5.587 5.018 -16.178 1.00 64.25 C ATOM 475 CD1 ILE A 32 3.007 4.694 -18.792 1.00 53.11 C ATOM 0 H ILE A 32 4.111 1.924 -18.326 1.00 31.35 H new ATOM 0 HA ILE A 32 6.664 3.308 -18.073 1.00 4.12 H new ATOM 0 HB ILE A 32 3.978 3.715 -16.690 1.00 65.11 H new ATOM 0 HG12 ILE A 32 4.643 5.950 -18.247 1.00 74.11 H new ATOM 0 HG13 ILE A 32 5.087 4.585 -19.252 1.00 74.11 H new ATOM 0 HG21 ILE A 32 4.933 5.848 -15.913 1.00 64.25 H new ATOM 0 HG22 ILE A 32 5.839 4.454 -15.280 1.00 64.25 H new ATOM 0 HG23 ILE A 32 6.500 5.406 -16.631 1.00 64.25 H new ATOM 0 HD11 ILE A 32 2.781 5.277 -19.685 1.00 53.11 H new ATOM 0 HD12 ILE A 32 2.822 3.639 -18.992 1.00 53.11 H new ATOM 0 HD13 ILE A 32 2.370 5.025 -17.972 1.00 53.11 H new ATOM 487 N SER A 33 5.513 1.118 -15.963 1.00 71.31 N ATOM 488 CA SER A 33 5.824 0.331 -14.775 1.00 44.43 C ATOM 489 C SER A 33 6.694 -0.870 -15.132 1.00 23.21 C ATOM 490 O SER A 33 7.868 -0.930 -14.770 1.00 25.24 O ATOM 491 CB SER A 33 4.536 -0.140 -14.098 1.00 24.33 C ATOM 492 OG SER A 33 4.780 -0.537 -12.759 1.00 60.44 O ATOM 0 H SER A 33 4.721 0.770 -16.504 1.00 71.31 H new ATOM 0 HA SER A 33 6.378 0.966 -14.083 1.00 44.43 H new ATOM 0 HB2 SER A 33 3.798 0.662 -14.114 1.00 24.33 H new ATOM 0 HB3 SER A 33 4.112 -0.974 -14.657 1.00 24.33 H new ATOM 0 HG SER A 33 3.979 -0.373 -12.218 1.00 60.44 H new ATOM 498 N GLY A 34 6.108 -1.827 -15.846 1.00 11.43 N ATOM 499 CA GLY A 34 6.843 -3.014 -16.240 1.00 33.30 C ATOM 500 C GLY A 34 6.146 -4.293 -15.819 1.00 64.21 C ATOM 501 O GLY A 34 6.798 -5.295 -15.526 1.00 44.00 O ATOM 0 H GLY A 34 5.137 -1.801 -16.158 1.00 11.43 H new ATOM 0 HA2 GLY A 34 6.974 -3.014 -17.322 1.00 33.30 H new ATOM 0 HA3 GLY A 34 7.839 -2.984 -15.798 1.00 33.30 H new ATOM 505 N MET A 35 4.818 -4.259 -15.787 1.00 63.23 N ATOM 506 CA MET A 35 4.033 -5.425 -15.398 1.00 64.13 C ATOM 507 C MET A 35 4.258 -6.580 -16.369 1.00 22.32 C ATOM 508 O MET A 35 4.558 -7.701 -15.956 1.00 40.41 O ATOM 509 CB MET A 35 2.546 -5.071 -15.345 1.00 1.41 C ATOM 510 CG MET A 35 2.252 -3.801 -14.563 1.00 33.04 C ATOM 511 SD MET A 35 0.493 -3.407 -14.514 1.00 72.03 S ATOM 512 CE MET A 35 -0.157 -4.860 -13.694 1.00 33.42 C ATOM 0 H MET A 35 4.263 -3.437 -16.026 1.00 63.23 H new ATOM 0 HA MET A 35 4.360 -5.738 -14.406 1.00 64.13 H new ATOM 0 HB2 MET A 35 2.171 -4.957 -16.362 1.00 1.41 H new ATOM 0 HB3 MET A 35 1.999 -5.900 -14.895 1.00 1.41 H new ATOM 0 HG2 MET A 35 2.624 -3.912 -13.544 1.00 33.04 H new ATOM 0 HG3 MET A 35 2.794 -2.969 -15.012 1.00 33.04 H new ATOM 0 HE1 MET A 35 -1.095 -4.609 -13.199 1.00 33.42 H new ATOM 0 HE2 MET A 35 -0.334 -5.645 -14.430 1.00 33.42 H new ATOM 0 HE3 MET A 35 0.561 -5.212 -12.954 1.00 33.42 H new ATOM 522 N SER A 36 4.111 -6.300 -17.660 1.00 2.02 N ATOM 523 CA SER A 36 4.294 -7.317 -18.689 1.00 22.15 C ATOM 524 C SER A 36 5.658 -7.988 -18.553 1.00 11.41 C ATOM 525 O SER A 36 5.809 -9.177 -18.833 1.00 41.11 O ATOM 526 CB SER A 36 4.155 -6.696 -20.080 1.00 34.42 C ATOM 527 OG SER A 36 5.250 -5.846 -20.371 1.00 41.11 O ATOM 0 H SER A 36 3.866 -5.377 -18.018 1.00 2.02 H new ATOM 0 HA SER A 36 3.521 -8.074 -18.558 1.00 22.15 H new ATOM 0 HB2 SER A 36 4.094 -7.485 -20.829 1.00 34.42 H new ATOM 0 HB3 SER A 36 3.226 -6.129 -20.137 1.00 34.42 H new ATOM 0 HG SER A 36 5.223 -5.590 -21.317 1.00 41.11 H new ATOM 533 N LYS A 37 6.649 -7.216 -18.121 1.00 3.41 N ATOM 534 CA LYS A 37 8.001 -7.732 -17.946 1.00 25.42 C ATOM 535 C LYS A 37 8.042 -8.791 -16.848 1.00 13.40 C ATOM 536 O LYS A 37 9.014 -9.535 -16.724 1.00 63.33 O ATOM 537 CB LYS A 37 8.965 -6.593 -17.606 1.00 50.11 C ATOM 538 CG LYS A 37 8.758 -5.349 -18.452 1.00 40.34 C ATOM 539 CD LYS A 37 8.777 -5.674 -19.936 1.00 72.35 C ATOM 540 CE LYS A 37 10.109 -6.275 -20.358 1.00 72.15 C ATOM 541 NZ LYS A 37 11.234 -5.317 -20.171 1.00 34.54 N ATOM 0 H LYS A 37 6.541 -6.229 -17.885 1.00 3.41 H new ATOM 0 HA LYS A 37 8.310 -8.193 -18.884 1.00 25.42 H new ATOM 0 HB2 LYS A 37 8.848 -6.331 -16.554 1.00 50.11 H new ATOM 0 HB3 LYS A 37 9.989 -6.944 -17.735 1.00 50.11 H new ATOM 0 HG2 LYS A 37 7.806 -4.886 -18.192 1.00 40.34 H new ATOM 0 HG3 LYS A 37 9.538 -4.622 -18.228 1.00 40.34 H new ATOM 0 HD2 LYS A 37 7.972 -6.372 -20.167 1.00 72.35 H new ATOM 0 HD3 LYS A 37 8.587 -4.767 -20.511 1.00 72.35 H new ATOM 0 HE2 LYS A 37 10.300 -7.178 -19.778 1.00 72.15 H new ATOM 0 HE3 LYS A 37 10.057 -6.574 -21.405 1.00 72.15 H new ATOM 0 HZ1 LYS A 37 12.091 -5.695 -20.623 1.00 34.54 H new ATOM 0 HZ2 LYS A 37 10.988 -4.404 -20.604 1.00 34.54 H new ATOM 0 HZ3 LYS A 37 11.409 -5.182 -19.155 1.00 34.54 H new ATOM 555 N LYS A 38 6.979 -8.853 -16.053 1.00 54.14 N ATOM 556 CA LYS A 38 6.890 -9.822 -14.967 1.00 43.43 C ATOM 557 C LYS A 38 6.287 -11.134 -15.457 1.00 32.24 C ATOM 558 O LYS A 38 6.223 -11.389 -16.659 1.00 43.13 O ATOM 559 CB LYS A 38 6.049 -9.257 -13.820 1.00 72.43 C ATOM 560 CG LYS A 38 6.409 -7.830 -13.447 1.00 1.14 C ATOM 561 CD LYS A 38 7.790 -7.750 -12.817 1.00 53.21 C ATOM 562 CE LYS A 38 8.762 -6.984 -13.701 1.00 52.33 C ATOM 563 NZ LYS A 38 10.171 -7.407 -13.472 1.00 42.43 N ATOM 0 H LYS A 38 6.166 -8.243 -16.141 1.00 54.14 H new ATOM 0 HA LYS A 38 7.899 -10.020 -14.606 1.00 43.43 H new ATOM 0 HB2 LYS A 38 4.996 -9.296 -14.099 1.00 72.43 H new ATOM 0 HB3 LYS A 38 6.170 -9.894 -12.944 1.00 72.43 H new ATOM 0 HG2 LYS A 38 6.377 -7.201 -14.337 1.00 1.14 H new ATOM 0 HG3 LYS A 38 5.667 -7.437 -12.752 1.00 1.14 H new ATOM 0 HD2 LYS A 38 7.720 -7.263 -11.844 1.00 53.21 H new ATOM 0 HD3 LYS A 38 8.171 -8.756 -12.643 1.00 53.21 H new ATOM 0 HE2 LYS A 38 8.501 -7.140 -14.748 1.00 52.33 H new ATOM 0 HE3 LYS A 38 8.667 -5.916 -13.505 1.00 52.33 H new ATOM 0 HZ1 LYS A 38 10.802 -6.862 -14.093 1.00 42.43 H new ATOM 0 HZ2 LYS A 38 10.428 -7.234 -12.479 1.00 42.43 H new ATOM 0 HZ3 LYS A 38 10.268 -8.421 -13.684 1.00 42.43 H new ATOM 577 N SER A 39 5.844 -11.963 -14.517 1.00 34.31 N ATOM 578 CA SER A 39 5.247 -13.251 -14.853 1.00 0.30 C ATOM 579 C SER A 39 3.818 -13.341 -14.327 1.00 53.01 C ATOM 580 O SER A 39 3.429 -12.600 -13.424 1.00 72.13 O ATOM 581 CB SER A 39 6.087 -14.392 -14.277 1.00 4.01 C ATOM 582 OG SER A 39 5.549 -15.653 -14.635 1.00 40.11 O ATOM 0 H SER A 39 5.887 -11.766 -13.517 1.00 34.31 H new ATOM 0 HA SER A 39 5.222 -13.340 -15.939 1.00 0.30 H new ATOM 0 HB2 SER A 39 7.111 -14.313 -14.642 1.00 4.01 H new ATOM 0 HB3 SER A 39 6.128 -14.306 -13.191 1.00 4.01 H new ATOM 0 HG SER A 39 6.105 -16.365 -14.256 1.00 40.11 H new ATOM 588 N SER A 40 3.040 -14.255 -14.899 1.00 51.52 N ATOM 589 CA SER A 40 1.652 -14.440 -14.492 1.00 22.32 C ATOM 590 C SER A 40 1.545 -14.585 -12.977 1.00 24.22 C ATOM 591 O SER A 40 0.719 -13.935 -12.337 1.00 4.24 O ATOM 592 CB SER A 40 1.058 -15.673 -15.177 1.00 2.24 C ATOM 593 OG SER A 40 2.071 -16.460 -15.778 1.00 44.12 O ATOM 0 H SER A 40 3.347 -14.879 -15.645 1.00 51.52 H new ATOM 0 HA SER A 40 1.089 -13.557 -14.796 1.00 22.32 H new ATOM 0 HB2 SER A 40 0.513 -16.272 -14.447 1.00 2.24 H new ATOM 0 HB3 SER A 40 0.338 -15.361 -15.934 1.00 2.24 H new ATOM 0 HG SER A 40 1.666 -17.242 -16.207 1.00 44.12 H new ATOM 599 N SER A 41 2.387 -15.443 -12.410 1.00 25.40 N ATOM 600 CA SER A 41 2.386 -15.678 -10.971 1.00 4.23 C ATOM 601 C SER A 41 2.647 -14.382 -10.209 1.00 53.20 C ATOM 602 O SER A 41 2.099 -14.164 -9.129 1.00 32.21 O ATOM 603 CB SER A 41 3.443 -16.721 -10.602 1.00 2.33 C ATOM 604 OG SER A 41 4.597 -16.587 -11.414 1.00 31.03 O ATOM 0 H SER A 41 3.079 -15.987 -12.925 1.00 25.40 H new ATOM 0 HA SER A 41 1.402 -16.053 -10.690 1.00 4.23 H new ATOM 0 HB2 SER A 41 3.718 -16.610 -9.553 1.00 2.33 H new ATOM 0 HB3 SER A 41 3.027 -17.722 -10.718 1.00 2.33 H new ATOM 0 HG SER A 41 5.258 -17.264 -11.157 1.00 31.03 H new ATOM 610 N GLN A 42 3.487 -13.525 -10.781 1.00 30.31 N ATOM 611 CA GLN A 42 3.821 -12.251 -10.156 1.00 20.01 C ATOM 612 C GLN A 42 2.655 -11.273 -10.256 1.00 32.41 C ATOM 613 O GLN A 42 2.265 -10.652 -9.266 1.00 73.41 O ATOM 614 CB GLN A 42 5.065 -11.648 -10.811 1.00 31.20 C ATOM 615 CG GLN A 42 6.361 -12.010 -10.104 1.00 11.14 C ATOM 616 CD GLN A 42 7.542 -11.198 -10.598 1.00 71.21 C ATOM 617 OE1 GLN A 42 8.392 -11.702 -11.333 1.00 51.41 O ATOM 618 NE2 GLN A 42 7.601 -9.934 -10.197 1.00 2.24 N ATOM 0 H GLN A 42 3.948 -13.690 -11.676 1.00 30.31 H new ATOM 0 HA GLN A 42 4.027 -12.436 -9.102 1.00 20.01 H new ATOM 0 HB2 GLN A 42 5.119 -11.984 -11.846 1.00 31.20 H new ATOM 0 HB3 GLN A 42 4.964 -10.563 -10.833 1.00 31.20 H new ATOM 0 HG2 GLN A 42 6.241 -11.855 -9.032 1.00 11.14 H new ATOM 0 HG3 GLN A 42 6.567 -13.070 -10.251 1.00 11.14 H new ATOM 0 HE21 GLN A 42 6.875 -9.558 -9.588 1.00 2.24 H new ATOM 0 HE22 GLN A 42 8.373 -9.339 -10.498 1.00 2.24 H new ATOM 627 N LEU A 43 2.102 -11.141 -11.456 1.00 51.34 N ATOM 628 CA LEU A 43 0.979 -10.238 -11.686 1.00 44.33 C ATOM 629 C LEU A 43 -0.237 -10.663 -10.871 1.00 13.35 C ATOM 630 O LEU A 43 -1.160 -9.877 -10.656 1.00 12.51 O ATOM 631 CB LEU A 43 0.624 -10.203 -13.174 1.00 13.14 C ATOM 632 CG LEU A 43 1.792 -10.001 -14.139 1.00 3.32 C ATOM 633 CD1 LEU A 43 1.507 -10.675 -15.472 1.00 14.13 C ATOM 634 CD2 LEU A 43 2.069 -8.518 -14.338 1.00 4.34 C ATOM 0 H LEU A 43 2.412 -11.647 -12.285 1.00 51.34 H new ATOM 0 HA LEU A 43 1.276 -9.239 -11.366 1.00 44.33 H new ATOM 0 HB2 LEU A 43 0.125 -11.138 -13.430 1.00 13.14 H new ATOM 0 HB3 LEU A 43 -0.097 -9.402 -13.336 1.00 13.14 H new ATOM 0 HG LEU A 43 2.680 -10.461 -13.705 1.00 3.32 H new ATOM 0 HD11 LEU A 43 2.350 -10.520 -16.146 1.00 14.13 H new ATOM 0 HD12 LEU A 43 1.359 -11.744 -15.315 1.00 14.13 H new ATOM 0 HD13 LEU A 43 0.607 -10.245 -15.912 1.00 14.13 H new ATOM 0 HD21 LEU A 43 2.904 -8.393 -15.028 1.00 4.34 H new ATOM 0 HD22 LEU A 43 1.183 -8.034 -14.749 1.00 4.34 H new ATOM 0 HD23 LEU A 43 2.319 -8.063 -13.380 1.00 4.34 H new ATOM 646 N LYS A 44 -0.232 -11.911 -10.416 1.00 64.30 N ATOM 647 CA LYS A 44 -1.332 -12.441 -9.620 1.00 74.43 C ATOM 648 C LYS A 44 -1.358 -11.804 -8.235 1.00 33.23 C ATOM 649 O LYS A 44 -2.407 -11.734 -7.594 1.00 44.53 O ATOM 650 CB LYS A 44 -1.210 -13.961 -9.492 1.00 73.51 C ATOM 651 CG LYS A 44 -1.851 -14.722 -10.640 1.00 65.14 C ATOM 652 CD LYS A 44 -1.608 -16.217 -10.523 1.00 22.52 C ATOM 653 CE LYS A 44 -2.185 -16.776 -9.231 1.00 51.11 C ATOM 654 NZ LYS A 44 -1.142 -16.936 -8.181 1.00 25.11 N ATOM 0 H LYS A 44 0.523 -12.575 -10.585 1.00 64.30 H new ATOM 0 HA LYS A 44 -2.265 -12.199 -10.129 1.00 74.43 H new ATOM 0 HB2 LYS A 44 -0.155 -14.229 -9.434 1.00 73.51 H new ATOM 0 HB3 LYS A 44 -1.671 -14.276 -8.556 1.00 73.51 H new ATOM 0 HG2 LYS A 44 -2.923 -14.527 -10.653 1.00 65.14 H new ATOM 0 HG3 LYS A 44 -1.449 -14.360 -11.587 1.00 65.14 H new ATOM 0 HD2 LYS A 44 -2.058 -16.728 -11.375 1.00 22.52 H new ATOM 0 HD3 LYS A 44 -0.537 -16.417 -10.561 1.00 22.52 H new ATOM 0 HE2 LYS A 44 -2.969 -16.112 -8.866 1.00 51.11 H new ATOM 0 HE3 LYS A 44 -2.652 -17.741 -9.429 1.00 51.11 H new ATOM 0 HZ1 LYS A 44 -1.563 -16.767 -7.245 1.00 25.11 H new ATOM 0 HZ2 LYS A 44 -0.757 -17.901 -8.218 1.00 25.11 H new ATOM 0 HZ3 LYS A 44 -0.376 -16.251 -8.345 1.00 25.11 H new ATOM 668 N GLU A 45 -0.198 -11.341 -7.779 1.00 54.04 N ATOM 669 CA GLU A 45 -0.090 -10.709 -6.470 1.00 31.13 C ATOM 670 C GLU A 45 -0.965 -9.461 -6.394 1.00 31.23 C ATOM 671 O GLU A 45 -1.691 -9.258 -5.420 1.00 2.41 O ATOM 672 CB GLU A 45 1.366 -10.343 -6.174 1.00 71.31 C ATOM 673 CG GLU A 45 2.260 -11.549 -5.938 1.00 45.42 C ATOM 674 CD GLU A 45 3.545 -11.190 -5.217 1.00 42.52 C ATOM 675 OE1 GLU A 45 3.515 -11.069 -3.975 1.00 22.33 O ATOM 676 OE2 GLU A 45 4.581 -11.029 -5.896 1.00 71.03 O ATOM 0 H GLU A 45 0.679 -11.392 -8.297 1.00 54.04 H new ATOM 0 HA GLU A 45 -0.437 -11.421 -5.722 1.00 31.13 H new ATOM 0 HB2 GLU A 45 1.763 -9.764 -7.008 1.00 71.31 H new ATOM 0 HB3 GLU A 45 1.399 -9.699 -5.295 1.00 71.31 H new ATOM 0 HG2 GLU A 45 1.716 -12.292 -5.355 1.00 45.42 H new ATOM 0 HG3 GLU A 45 2.502 -12.010 -6.895 1.00 45.42 H new ATOM 683 N ILE A 46 -0.890 -8.629 -7.427 1.00 60.41 N ATOM 684 CA ILE A 46 -1.675 -7.402 -7.478 1.00 22.20 C ATOM 685 C ILE A 46 -3.157 -7.688 -7.263 1.00 30.34 C ATOM 686 O ILE A 46 -3.855 -6.930 -6.589 1.00 31.43 O ATOM 687 CB ILE A 46 -1.494 -6.674 -8.823 1.00 12.21 C ATOM 688 CG1 ILE A 46 -0.021 -6.328 -9.046 1.00 43.44 C ATOM 689 CG2 ILE A 46 -2.351 -5.417 -8.864 1.00 72.40 C ATOM 690 CD1 ILE A 46 0.565 -6.955 -10.292 1.00 23.33 C ATOM 0 H ILE A 46 -0.294 -8.782 -8.240 1.00 60.41 H new ATOM 0 HA ILE A 46 -1.311 -6.761 -6.675 1.00 22.20 H new ATOM 0 HB ILE A 46 -1.817 -7.337 -9.625 1.00 12.21 H new ATOM 0 HG12 ILE A 46 0.084 -5.245 -9.110 1.00 43.44 H new ATOM 0 HG13 ILE A 46 0.555 -6.653 -8.180 1.00 43.44 H new ATOM 0 HG21 ILE A 46 -2.212 -4.913 -9.821 1.00 72.40 H new ATOM 0 HG22 ILE A 46 -3.400 -5.688 -8.745 1.00 72.40 H new ATOM 0 HG23 ILE A 46 -2.055 -4.748 -8.056 1.00 72.40 H new ATOM 0 HD11 ILE A 46 1.612 -6.667 -10.386 1.00 23.33 H new ATOM 0 HD12 ILE A 46 0.492 -8.040 -10.222 1.00 23.33 H new ATOM 0 HD13 ILE A 46 0.013 -6.610 -11.167 1.00 23.33 H new ATOM 702 N PHE A 47 -3.631 -8.788 -7.838 1.00 75.12 N ATOM 703 CA PHE A 47 -5.031 -9.176 -7.709 1.00 13.33 C ATOM 704 C PHE A 47 -5.429 -9.296 -6.240 1.00 42.14 C ATOM 705 O PHE A 47 -6.560 -8.987 -5.865 1.00 41.03 O ATOM 706 CB PHE A 47 -5.284 -10.503 -8.427 1.00 44.24 C ATOM 707 CG PHE A 47 -6.343 -11.345 -7.776 1.00 61.21 C ATOM 708 CD1 PHE A 47 -6.024 -12.195 -6.729 1.00 74.24 C ATOM 709 CD2 PHE A 47 -7.657 -11.287 -8.211 1.00 72.52 C ATOM 710 CE1 PHE A 47 -6.997 -12.972 -6.128 1.00 1.44 C ATOM 711 CE2 PHE A 47 -8.634 -12.061 -7.613 1.00 61.01 C ATOM 712 CZ PHE A 47 -8.303 -12.905 -6.571 1.00 32.01 C ATOM 0 H PHE A 47 -3.066 -9.427 -8.398 1.00 75.12 H new ATOM 0 HA PHE A 47 -5.641 -8.399 -8.171 1.00 13.33 H new ATOM 0 HB2 PHE A 47 -5.576 -10.299 -9.457 1.00 44.24 H new ATOM 0 HB3 PHE A 47 -4.353 -11.069 -8.465 1.00 44.24 H new ATOM 0 HD1 PHE A 47 -5.004 -12.251 -6.379 1.00 74.24 H new ATOM 0 HD2 PHE A 47 -7.921 -10.630 -9.026 1.00 72.52 H new ATOM 0 HE1 PHE A 47 -6.736 -13.631 -5.313 1.00 1.44 H new ATOM 0 HE2 PHE A 47 -9.655 -12.006 -7.960 1.00 61.01 H new ATOM 0 HZ PHE A 47 -9.065 -13.512 -6.103 1.00 32.01 H new ATOM 722 N ARG A 48 -4.490 -9.748 -5.415 1.00 15.43 N ATOM 723 CA ARG A 48 -4.742 -9.911 -3.988 1.00 54.20 C ATOM 724 C ARG A 48 -4.890 -8.555 -3.303 1.00 64.04 C ATOM 725 O ARG A 48 -5.270 -8.477 -2.135 1.00 23.03 O ATOM 726 CB ARG A 48 -3.608 -10.703 -3.335 1.00 72.15 C ATOM 727 CG ARG A 48 -4.078 -11.954 -2.610 1.00 44.33 C ATOM 728 CD ARG A 48 -4.935 -11.609 -1.402 1.00 44.34 C ATOM 729 NE ARG A 48 -4.137 -11.467 -0.188 1.00 5.34 N ATOM 730 CZ ARG A 48 -4.568 -10.850 0.907 1.00 23.01 C ATOM 731 NH1 ARG A 48 -5.783 -10.321 0.939 1.00 72.50 N ATOM 732 NH2 ARG A 48 -3.782 -10.762 1.973 1.00 15.41 N ATOM 0 H ARG A 48 -3.549 -10.008 -5.710 1.00 15.43 H new ATOM 0 HA ARG A 48 -5.675 -10.462 -3.870 1.00 54.20 H new ATOM 0 HB2 ARG A 48 -2.886 -10.987 -4.101 1.00 72.15 H new ATOM 0 HB3 ARG A 48 -3.086 -10.058 -2.628 1.00 72.15 H new ATOM 0 HG2 ARG A 48 -4.649 -12.580 -3.296 1.00 44.33 H new ATOM 0 HG3 ARG A 48 -3.214 -12.537 -2.290 1.00 44.33 H new ATOM 0 HD2 ARG A 48 -5.473 -10.681 -1.593 1.00 44.34 H new ATOM 0 HD3 ARG A 48 -5.684 -12.387 -1.255 1.00 44.34 H new ATOM 0 HE ARG A 48 -3.197 -11.863 -0.180 1.00 5.34 H new ATOM 0 HH11 ARG A 48 -6.390 -10.387 0.122 1.00 72.50 H new ATOM 0 HH12 ARG A 48 -6.111 -9.848 1.781 1.00 72.50 H new ATOM 0 HH21 ARG A 48 -2.847 -11.168 1.952 1.00 15.41 H new ATOM 0 HH22 ARG A 48 -4.113 -10.288 2.813 1.00 15.41 H new ATOM 746 N ILE A 49 -4.586 -7.491 -4.038 1.00 42.35 N ATOM 747 CA ILE A 49 -4.685 -6.139 -3.502 1.00 60.02 C ATOM 748 C ILE A 49 -5.936 -5.434 -4.016 1.00 30.34 C ATOM 749 O ILE A 49 -6.379 -4.437 -3.444 1.00 34.42 O ATOM 750 CB ILE A 49 -3.449 -5.296 -3.867 1.00 65.53 C ATOM 751 CG1 ILE A 49 -2.169 -6.103 -3.637 1.00 3.21 C ATOM 752 CG2 ILE A 49 -3.425 -4.011 -3.054 1.00 43.11 C ATOM 753 CD1 ILE A 49 -2.010 -6.592 -2.214 1.00 54.42 C ATOM 0 H ILE A 49 -4.269 -7.539 -5.006 1.00 42.35 H new ATOM 0 HA ILE A 49 -4.743 -6.234 -2.418 1.00 60.02 H new ATOM 0 HB ILE A 49 -3.506 -5.033 -4.923 1.00 65.53 H new ATOM 0 HG12 ILE A 49 -2.164 -6.960 -4.310 1.00 3.21 H new ATOM 0 HG13 ILE A 49 -1.309 -5.487 -3.899 1.00 3.21 H new ATOM 0 HG21 ILE A 49 -2.545 -3.426 -3.324 1.00 43.11 H new ATOM 0 HG22 ILE A 49 -4.324 -3.431 -3.263 1.00 43.11 H new ATOM 0 HG23 ILE A 49 -3.388 -4.253 -1.992 1.00 43.11 H new ATOM 0 HD11 ILE A 49 -1.081 -7.156 -2.125 1.00 54.42 H new ATOM 0 HD12 ILE A 49 -1.983 -5.738 -1.537 1.00 54.42 H new ATOM 0 HD13 ILE A 49 -2.851 -7.235 -1.954 1.00 54.42 H new ATOM 765 N LEU A 50 -6.502 -5.959 -5.096 1.00 74.35 N ATOM 766 CA LEU A 50 -7.705 -5.382 -5.687 1.00 40.10 C ATOM 767 C LEU A 50 -8.960 -5.997 -5.077 1.00 14.00 C ATOM 768 O LEU A 50 -10.022 -5.375 -5.059 1.00 21.53 O ATOM 769 CB LEU A 50 -7.705 -5.593 -7.202 1.00 44.41 C ATOM 770 CG LEU A 50 -7.055 -4.486 -8.034 1.00 24.15 C ATOM 771 CD1 LEU A 50 -5.627 -4.861 -8.399 1.00 21.43 C ATOM 772 CD2 LEU A 50 -7.873 -4.210 -9.287 1.00 23.13 C ATOM 0 H LEU A 50 -6.148 -6.783 -5.581 1.00 74.35 H new ATOM 0 HA LEU A 50 -7.707 -4.313 -5.475 1.00 40.10 H new ATOM 0 HB2 LEU A 50 -7.193 -6.531 -7.418 1.00 44.41 H new ATOM 0 HB3 LEU A 50 -8.737 -5.710 -7.532 1.00 44.41 H new ATOM 0 HG LEU A 50 -7.028 -3.576 -7.435 1.00 24.15 H new ATOM 0 HD11 LEU A 50 -5.181 -4.062 -8.991 1.00 21.43 H new ATOM 0 HD12 LEU A 50 -5.045 -5.007 -7.489 1.00 21.43 H new ATOM 0 HD13 LEU A 50 -5.630 -5.784 -8.979 1.00 21.43 H new ATOM 0 HD21 LEU A 50 -7.396 -3.420 -9.866 1.00 23.13 H new ATOM 0 HD22 LEU A 50 -7.933 -5.116 -9.890 1.00 23.13 H new ATOM 0 HD23 LEU A 50 -8.878 -3.896 -9.004 1.00 23.13 H new ATOM 784 N ASP A 51 -8.830 -7.221 -4.576 1.00 71.34 N ATOM 785 CA ASP A 51 -9.954 -7.920 -3.963 1.00 60.05 C ATOM 786 C ASP A 51 -10.396 -7.220 -2.682 1.00 20.32 C ATOM 787 O ASP A 51 -9.629 -7.111 -1.726 1.00 71.41 O ATOM 788 CB ASP A 51 -9.575 -9.371 -3.661 1.00 75.30 C ATOM 789 CG ASP A 51 -10.735 -10.325 -3.867 1.00 1.31 C ATOM 790 OD1 ASP A 51 -11.940 -9.778 -3.974 1.00 35.45 O ATOM 791 OD2 ASP A 51 -10.549 -11.540 -3.930 1.00 60.23 O ATOM 0 H ASP A 51 -7.958 -7.750 -4.582 1.00 71.34 H new ATOM 0 HA ASP A 51 -10.786 -7.908 -4.667 1.00 60.05 H new ATOM 0 HB2 ASP A 51 -8.745 -9.668 -4.302 1.00 75.30 H new ATOM 0 HB3 ASP A 51 -9.225 -9.446 -2.631 1.00 75.30 H new ATOM 796 N ASN A 52 -11.638 -6.748 -2.670 1.00 74.30 N ATOM 797 CA ASN A 52 -12.183 -6.059 -1.506 1.00 11.01 C ATOM 798 C ASN A 52 -13.144 -6.962 -0.739 1.00 61.50 C ATOM 799 O ASN A 52 -13.663 -6.585 0.312 1.00 44.44 O ATOM 800 CB ASN A 52 -12.902 -4.779 -1.936 1.00 13.34 C ATOM 801 CG ASN A 52 -12.139 -3.528 -1.544 1.00 54.14 C ATOM 802 OD1 ASN A 52 -12.636 -2.697 -0.783 1.00 63.14 O ATOM 803 ND2 ASN A 52 -10.926 -3.388 -2.065 1.00 23.20 N ATOM 0 H ASN A 52 -12.286 -6.830 -3.453 1.00 74.30 H new ATOM 0 HA ASN A 52 -11.354 -5.799 -0.848 1.00 11.01 H new ATOM 0 HB2 ASN A 52 -13.044 -4.791 -3.017 1.00 13.34 H new ATOM 0 HB3 ASN A 52 -13.894 -4.753 -1.484 1.00 13.34 H new ATOM 0 HD21 ASN A 52 -10.366 -2.566 -1.839 1.00 23.20 H new ATOM 0 HD22 ASN A 52 -10.554 -4.102 -2.691 1.00 23.20 H new ATOM 810 N ASP A 53 -13.376 -8.157 -1.271 1.00 62.24 N ATOM 811 CA ASP A 53 -14.273 -9.116 -0.637 1.00 22.02 C ATOM 812 C ASP A 53 -13.632 -10.499 -0.572 1.00 75.15 C ATOM 813 O ASP A 53 -14.231 -11.447 -0.064 1.00 42.23 O ATOM 814 CB ASP A 53 -15.597 -9.189 -1.398 1.00 15.41 C ATOM 815 CG ASP A 53 -15.571 -8.387 -2.684 1.00 42.52 C ATOM 816 OD1 ASP A 53 -15.486 -7.143 -2.606 1.00 24.30 O ATOM 817 OD2 ASP A 53 -15.636 -9.002 -3.769 1.00 60.11 O ATOM 0 H ASP A 53 -12.955 -8.485 -2.140 1.00 62.24 H new ATOM 0 HA ASP A 53 -14.467 -8.777 0.381 1.00 22.02 H new ATOM 0 HB2 ASP A 53 -15.824 -10.230 -1.627 1.00 15.41 H new ATOM 0 HB3 ASP A 53 -16.400 -8.821 -0.760 1.00 15.41 H new ATOM 822 N GLN A 54 -12.414 -10.606 -1.092 1.00 22.11 N ATOM 823 CA GLN A 54 -11.694 -11.874 -1.095 1.00 23.02 C ATOM 824 C GLN A 54 -12.553 -12.987 -1.685 1.00 52.25 C ATOM 825 O GLN A 54 -12.321 -14.168 -1.427 1.00 1.42 O ATOM 826 CB GLN A 54 -11.265 -12.244 0.326 1.00 21.31 C ATOM 827 CG GLN A 54 -10.766 -11.061 1.139 1.00 14.51 C ATOM 828 CD GLN A 54 -9.378 -10.613 0.728 1.00 65.34 C ATOM 829 OE1 GLN A 54 -8.394 -11.322 0.947 1.00 53.51 O ATOM 830 NE2 GLN A 54 -9.289 -9.432 0.127 1.00 73.40 N ATOM 0 H GLN A 54 -11.905 -9.831 -1.516 1.00 22.11 H new ATOM 0 HA GLN A 54 -10.806 -11.757 -1.717 1.00 23.02 H new ATOM 0 HB2 GLN A 54 -12.109 -12.700 0.844 1.00 21.31 H new ATOM 0 HB3 GLN A 54 -10.478 -12.996 0.275 1.00 21.31 H new ATOM 0 HG2 GLN A 54 -11.460 -10.229 1.026 1.00 14.51 H new ATOM 0 HG3 GLN A 54 -10.759 -11.329 2.196 1.00 14.51 H new ATOM 0 HE21 GLN A 54 -10.130 -8.877 -0.035 1.00 73.40 H new ATOM 0 HE22 GLN A 54 -8.380 -9.080 -0.173 1.00 73.40 H new ATOM 839 N SER A 55 -13.547 -12.602 -2.480 1.00 10.12 N ATOM 840 CA SER A 55 -14.444 -13.567 -3.104 1.00 72.11 C ATOM 841 C SER A 55 -13.708 -14.391 -4.156 1.00 74.32 C ATOM 842 O SER A 55 -14.188 -15.439 -4.587 1.00 24.31 O ATOM 843 CB SER A 55 -15.635 -12.850 -3.743 1.00 2.51 C ATOM 844 OG SER A 55 -15.269 -11.558 -4.196 1.00 5.31 O ATOM 0 H SER A 55 -13.751 -11.629 -2.707 1.00 10.12 H new ATOM 0 HA SER A 55 -14.808 -14.241 -2.329 1.00 72.11 H new ATOM 0 HB2 SER A 55 -16.012 -13.439 -4.579 1.00 2.51 H new ATOM 0 HB3 SER A 55 -16.446 -12.769 -3.019 1.00 2.51 H new ATOM 0 HG SER A 55 -15.747 -10.881 -3.674 1.00 5.31 H new ATOM 850 N GLY A 56 -12.539 -13.908 -4.566 1.00 72.41 N ATOM 851 CA GLY A 56 -11.755 -14.612 -5.564 1.00 51.44 C ATOM 852 C GLY A 56 -11.611 -13.822 -6.850 1.00 43.11 C ATOM 853 O GLY A 56 -10.709 -14.079 -7.647 1.00 64.45 O ATOM 0 H GLY A 56 -12.121 -13.042 -4.225 1.00 72.41 H new ATOM 0 HA2 GLY A 56 -10.766 -14.826 -5.160 1.00 51.44 H new ATOM 0 HA3 GLY A 56 -12.225 -15.571 -5.781 1.00 51.44 H new ATOM 857 N PHE A 57 -12.503 -12.858 -7.054 1.00 24.01 N ATOM 858 CA PHE A 57 -12.472 -12.030 -8.254 1.00 12.43 C ATOM 859 C PHE A 57 -12.595 -10.551 -7.897 1.00 24.11 C ATOM 860 O PHE A 57 -12.887 -10.200 -6.753 1.00 44.23 O ATOM 861 CB PHE A 57 -13.601 -12.431 -9.205 1.00 71.42 C ATOM 862 CG PHE A 57 -13.673 -13.910 -9.460 1.00 1.14 C ATOM 863 CD1 PHE A 57 -14.365 -14.742 -8.595 1.00 32.30 C ATOM 864 CD2 PHE A 57 -13.048 -14.468 -10.563 1.00 45.52 C ATOM 865 CE1 PHE A 57 -14.434 -16.103 -8.826 1.00 65.33 C ATOM 866 CE2 PHE A 57 -13.113 -15.828 -10.800 1.00 2.41 C ATOM 867 CZ PHE A 57 -13.806 -16.647 -9.930 1.00 4.32 C ATOM 0 H PHE A 57 -13.256 -12.631 -6.404 1.00 24.01 H new ATOM 0 HA PHE A 57 -11.514 -12.188 -8.750 1.00 12.43 H new ATOM 0 HB2 PHE A 57 -14.551 -12.095 -8.790 1.00 71.42 H new ATOM 0 HB3 PHE A 57 -13.467 -11.913 -10.154 1.00 71.42 H new ATOM 0 HD1 PHE A 57 -14.856 -14.322 -7.730 1.00 32.30 H new ATOM 0 HD2 PHE A 57 -12.503 -13.833 -11.246 1.00 45.52 H new ATOM 0 HE1 PHE A 57 -14.978 -16.740 -8.145 1.00 65.33 H new ATOM 0 HE2 PHE A 57 -12.622 -16.250 -11.665 1.00 2.41 H new ATOM 0 HZ PHE A 57 -13.857 -17.710 -10.112 1.00 4.32 H new ATOM 877 N ILE A 58 -12.369 -9.690 -8.883 1.00 61.03 N ATOM 878 CA ILE A 58 -12.454 -8.250 -8.674 1.00 72.02 C ATOM 879 C ILE A 58 -13.541 -7.631 -9.547 1.00 65.23 C ATOM 880 O ILE A 58 -13.358 -7.457 -10.751 1.00 44.45 O ATOM 881 CB ILE A 58 -11.112 -7.557 -8.976 1.00 13.15 C ATOM 882 CG1 ILE A 58 -10.009 -8.121 -8.078 1.00 60.53 C ATOM 883 CG2 ILE A 58 -11.239 -6.053 -8.786 1.00 2.31 C ATOM 884 CD1 ILE A 58 -8.653 -8.170 -8.746 1.00 44.22 C ATOM 0 H ILE A 58 -12.126 -9.964 -9.835 1.00 61.03 H new ATOM 0 HA ILE A 58 -12.704 -8.098 -7.624 1.00 72.02 H new ATOM 0 HB ILE A 58 -10.844 -7.752 -10.015 1.00 13.15 H new ATOM 0 HG12 ILE A 58 -9.939 -7.513 -7.176 1.00 60.53 H new ATOM 0 HG13 ILE A 58 -10.287 -9.127 -7.763 1.00 60.53 H new ATOM 0 HG21 ILE A 58 -10.283 -5.577 -9.003 1.00 2.31 H new ATOM 0 HG22 ILE A 58 -12.000 -5.664 -9.462 1.00 2.31 H new ATOM 0 HG23 ILE A 58 -11.525 -5.839 -7.756 1.00 2.31 H new ATOM 0 HD11 ILE A 58 -7.920 -8.580 -8.052 1.00 44.22 H new ATOM 0 HD12 ILE A 58 -8.707 -8.802 -9.632 1.00 44.22 H new ATOM 0 HD13 ILE A 58 -8.354 -7.163 -9.036 1.00 44.22 H new ATOM 896 N GLU A 59 -14.671 -7.300 -8.931 1.00 3.05 N ATOM 897 CA GLU A 59 -15.786 -6.699 -9.652 1.00 72.23 C ATOM 898 C GLU A 59 -15.527 -5.220 -9.921 1.00 3.41 C ATOM 899 O GLU A 59 -14.672 -4.604 -9.285 1.00 12.23 O ATOM 900 CB GLU A 59 -17.084 -6.865 -8.859 1.00 52.21 C ATOM 901 CG GLU A 59 -17.273 -8.259 -8.285 1.00 3.24 C ATOM 902 CD GLU A 59 -16.741 -8.384 -6.870 1.00 43.32 C ATOM 903 OE1 GLU A 59 -17.377 -7.836 -5.946 1.00 3.31 O ATOM 904 OE2 GLU A 59 -15.688 -9.030 -6.688 1.00 62.30 O ATOM 0 H GLU A 59 -14.838 -7.438 -7.934 1.00 3.05 H new ATOM 0 HA GLU A 59 -15.885 -7.212 -10.609 1.00 72.23 H new ATOM 0 HB2 GLU A 59 -17.097 -6.141 -8.044 1.00 52.21 H new ATOM 0 HB3 GLU A 59 -17.928 -6.631 -9.507 1.00 52.21 H new ATOM 0 HG2 GLU A 59 -18.333 -8.511 -8.294 1.00 3.24 H new ATOM 0 HG3 GLU A 59 -16.768 -8.983 -8.924 1.00 3.24 H new ATOM 911 N GLU A 60 -16.271 -4.657 -10.868 1.00 44.31 N ATOM 912 CA GLU A 60 -16.120 -3.250 -11.222 1.00 22.12 C ATOM 913 C GLU A 60 -16.214 -2.364 -9.983 1.00 31.43 C ATOM 914 O GLU A 60 -15.605 -1.296 -9.922 1.00 70.24 O ATOM 915 CB GLU A 60 -17.187 -2.840 -12.238 1.00 55.41 C ATOM 916 CG GLU A 60 -16.916 -3.347 -13.644 1.00 51.34 C ATOM 917 CD GLU A 60 -18.181 -3.482 -14.470 1.00 22.10 C ATOM 918 OE1 GLU A 60 -18.677 -2.451 -14.969 1.00 73.03 O ATOM 919 OE2 GLU A 60 -18.674 -4.620 -14.617 1.00 23.34 O ATOM 0 H GLU A 60 -16.984 -5.153 -11.403 1.00 44.31 H new ATOM 0 HA GLU A 60 -15.134 -3.118 -11.668 1.00 22.12 H new ATOM 0 HB2 GLU A 60 -18.155 -3.215 -11.906 1.00 55.41 H new ATOM 0 HB3 GLU A 60 -17.257 -1.752 -12.260 1.00 55.41 H new ATOM 0 HG2 GLU A 60 -16.230 -2.665 -14.146 1.00 51.34 H new ATOM 0 HG3 GLU A 60 -16.419 -4.315 -13.587 1.00 51.34 H new ATOM 926 N ASP A 61 -16.982 -2.816 -8.997 1.00 41.02 N ATOM 927 CA ASP A 61 -17.156 -2.066 -7.759 1.00 15.21 C ATOM 928 C ASP A 61 -15.827 -1.907 -7.028 1.00 30.13 C ATOM 929 O ASP A 61 -15.637 -0.959 -6.266 1.00 65.44 O ATOM 930 CB ASP A 61 -18.171 -2.765 -6.853 1.00 22.24 C ATOM 931 CG ASP A 61 -19.594 -2.319 -7.124 1.00 0.31 C ATOM 932 OD1 ASP A 61 -19.848 -1.097 -7.094 1.00 42.41 O ATOM 933 OD2 ASP A 61 -20.454 -3.192 -7.365 1.00 52.43 O ATOM 0 H ASP A 61 -17.494 -3.698 -9.031 1.00 41.02 H new ATOM 0 HA ASP A 61 -17.530 -1.074 -8.013 1.00 15.21 H new ATOM 0 HB2 ASP A 61 -18.098 -3.843 -6.995 1.00 22.24 H new ATOM 0 HB3 ASP A 61 -17.923 -2.563 -5.811 1.00 22.24 H new ATOM 938 N GLU A 62 -14.912 -2.842 -7.264 1.00 40.12 N ATOM 939 CA GLU A 62 -13.601 -2.806 -6.626 1.00 53.31 C ATOM 940 C GLU A 62 -12.508 -2.504 -7.646 1.00 45.44 C ATOM 941 O GLU A 62 -11.380 -2.166 -7.283 1.00 50.22 O ATOM 942 CB GLU A 62 -13.311 -4.137 -5.930 1.00 73.33 C ATOM 943 CG GLU A 62 -13.961 -5.332 -6.608 1.00 24.20 C ATOM 944 CD GLU A 62 -13.905 -6.587 -5.758 1.00 4.41 C ATOM 945 OE1 GLU A 62 -12.799 -7.146 -5.600 1.00 33.34 O ATOM 946 OE2 GLU A 62 -14.965 -7.009 -5.251 1.00 40.34 O ATOM 0 H GLU A 62 -15.054 -3.633 -7.892 1.00 40.12 H new ATOM 0 HA GLU A 62 -13.609 -2.010 -5.882 1.00 53.31 H new ATOM 0 HB2 GLU A 62 -12.233 -4.292 -5.895 1.00 73.33 H new ATOM 0 HB3 GLU A 62 -13.659 -4.081 -4.898 1.00 73.33 H new ATOM 0 HG2 GLU A 62 -15.001 -5.096 -6.833 1.00 24.20 H new ATOM 0 HG3 GLU A 62 -13.464 -5.520 -7.560 1.00 24.20 H new ATOM 953 N LEU A 63 -12.848 -2.628 -8.924 1.00 72.33 N ATOM 954 CA LEU A 63 -11.896 -2.369 -9.999 1.00 30.43 C ATOM 955 C LEU A 63 -11.667 -0.872 -10.174 1.00 4.42 C ATOM 956 O LEU A 63 -10.588 -0.441 -10.583 1.00 30.13 O ATOM 957 CB LEU A 63 -12.399 -2.977 -11.310 1.00 3.44 C ATOM 958 CG LEU A 63 -11.335 -3.611 -12.207 1.00 34.23 C ATOM 959 CD1 LEU A 63 -11.943 -4.040 -13.533 1.00 61.22 C ATOM 960 CD2 LEU A 63 -10.183 -2.644 -12.434 1.00 2.22 C ATOM 0 H LEU A 63 -13.776 -2.906 -9.242 1.00 72.33 H new ATOM 0 HA LEU A 63 -10.947 -2.834 -9.731 1.00 30.43 H new ATOM 0 HB2 LEU A 63 -13.145 -3.736 -11.073 1.00 3.44 H new ATOM 0 HB3 LEU A 63 -12.907 -2.197 -11.878 1.00 3.44 H new ATOM 0 HG LEU A 63 -10.945 -4.497 -11.706 1.00 34.23 H new ATOM 0 HD11 LEU A 63 -11.172 -4.489 -14.159 1.00 61.22 H new ATOM 0 HD12 LEU A 63 -12.733 -4.769 -13.352 1.00 61.22 H new ATOM 0 HD13 LEU A 63 -12.361 -3.170 -14.040 1.00 61.22 H new ATOM 0 HD21 LEU A 63 -9.436 -3.112 -13.074 1.00 2.22 H new ATOM 0 HD22 LEU A 63 -10.556 -1.739 -12.914 1.00 2.22 H new ATOM 0 HD23 LEU A 63 -9.730 -2.386 -11.477 1.00 2.22 H new ATOM 972 N LYS A 64 -12.688 -0.081 -9.860 1.00 25.33 N ATOM 973 CA LYS A 64 -12.598 1.369 -9.978 1.00 44.24 C ATOM 974 C LYS A 64 -11.511 1.924 -9.063 1.00 63.31 C ATOM 975 O LYS A 64 -10.875 2.930 -9.377 1.00 51.32 O ATOM 976 CB LYS A 64 -13.943 2.014 -9.638 1.00 73.34 C ATOM 977 CG LYS A 64 -14.560 1.492 -8.352 1.00 3.31 C ATOM 978 CD LYS A 64 -15.450 2.535 -7.697 1.00 40.33 C ATOM 979 CE LYS A 64 -16.597 2.941 -8.610 1.00 71.00 C ATOM 980 NZ LYS A 64 -17.918 2.796 -7.938 1.00 52.33 N ATOM 0 H LYS A 64 -13.588 -0.421 -9.522 1.00 25.33 H new ATOM 0 HA LYS A 64 -12.337 1.608 -11.009 1.00 44.24 H new ATOM 0 HB2 LYS A 64 -13.809 3.092 -9.555 1.00 73.34 H new ATOM 0 HB3 LYS A 64 -14.637 1.842 -10.460 1.00 73.34 H new ATOM 0 HG2 LYS A 64 -15.144 0.596 -8.565 1.00 3.31 H new ATOM 0 HG3 LYS A 64 -13.770 1.201 -7.660 1.00 3.31 H new ATOM 0 HD2 LYS A 64 -15.849 2.139 -6.763 1.00 40.33 H new ATOM 0 HD3 LYS A 64 -14.857 3.414 -7.443 1.00 40.33 H new ATOM 0 HE2 LYS A 64 -16.462 3.976 -8.925 1.00 71.00 H new ATOM 0 HE3 LYS A 64 -16.579 2.328 -9.511 1.00 71.00 H new ATOM 0 HZ1 LYS A 64 -18.674 3.082 -8.593 1.00 52.33 H new ATOM 0 HZ2 LYS A 64 -18.059 1.804 -7.659 1.00 52.33 H new ATOM 0 HZ3 LYS A 64 -17.945 3.400 -7.092 1.00 52.33 H new ATOM 994 N TYR A 65 -11.302 1.260 -7.931 1.00 44.25 N ATOM 995 CA TYR A 65 -10.292 1.688 -6.970 1.00 61.33 C ATOM 996 C TYR A 65 -8.904 1.212 -7.390 1.00 34.33 C ATOM 997 O TYR A 65 -7.973 1.191 -6.585 1.00 43.11 O ATOM 998 CB TYR A 65 -10.626 1.154 -5.576 1.00 55.33 C ATOM 999 CG TYR A 65 -11.815 1.836 -4.936 1.00 71.55 C ATOM 1000 CD1 TYR A 65 -11.964 3.216 -4.995 1.00 60.23 C ATOM 1001 CD2 TYR A 65 -12.788 1.099 -4.272 1.00 54.54 C ATOM 1002 CE1 TYR A 65 -13.048 3.843 -4.412 1.00 22.13 C ATOM 1003 CE2 TYR A 65 -13.876 1.718 -3.687 1.00 73.22 C ATOM 1004 CZ TYR A 65 -14.001 3.090 -3.759 1.00 74.43 C ATOM 1005 OH TYR A 65 -15.083 3.709 -3.176 1.00 41.43 O ATOM 0 H TYR A 65 -11.818 0.424 -7.657 1.00 44.25 H new ATOM 0 HA TYR A 65 -10.290 2.778 -6.944 1.00 61.33 H new ATOM 0 HB2 TYR A 65 -10.824 0.084 -5.644 1.00 55.33 H new ATOM 0 HB3 TYR A 65 -9.756 1.277 -4.931 1.00 55.33 H new ATOM 0 HD1 TYR A 65 -11.219 3.809 -5.506 1.00 60.23 H new ATOM 0 HD2 TYR A 65 -12.692 0.025 -4.212 1.00 54.54 H new ATOM 0 HE1 TYR A 65 -13.149 4.917 -4.467 1.00 22.13 H new ATOM 0 HE2 TYR A 65 -14.625 1.131 -3.176 1.00 73.22 H new ATOM 0 HH TYR A 65 -15.660 3.035 -2.759 1.00 41.43 H new ATOM 1015 N PHE A 66 -8.775 0.830 -8.656 1.00 42.00 N ATOM 1016 CA PHE A 66 -7.502 0.354 -9.184 1.00 61.44 C ATOM 1017 C PHE A 66 -6.397 1.379 -8.949 1.00 11.41 C ATOM 1018 O PHE A 66 -5.235 1.023 -8.751 1.00 62.23 O ATOM 1019 CB PHE A 66 -7.626 0.055 -10.680 1.00 0.20 C ATOM 1020 CG PHE A 66 -6.308 -0.206 -11.351 1.00 24.05 C ATOM 1021 CD1 PHE A 66 -5.562 -1.328 -11.028 1.00 64.21 C ATOM 1022 CD2 PHE A 66 -5.814 0.671 -12.303 1.00 30.00 C ATOM 1023 CE1 PHE A 66 -4.348 -1.572 -11.643 1.00 51.25 C ATOM 1024 CE2 PHE A 66 -4.602 0.432 -12.922 1.00 4.41 C ATOM 1025 CZ PHE A 66 -3.867 -0.690 -12.591 1.00 11.40 C ATOM 0 H PHE A 66 -9.536 0.841 -9.335 1.00 42.00 H new ATOM 0 HA PHE A 66 -7.240 -0.563 -8.657 1.00 61.44 H new ATOM 0 HB2 PHE A 66 -8.272 -0.812 -10.817 1.00 0.20 H new ATOM 0 HB3 PHE A 66 -8.114 0.897 -11.171 1.00 0.20 H new ATOM 0 HD1 PHE A 66 -5.933 -2.020 -10.287 1.00 64.21 H new ATOM 0 HD2 PHE A 66 -6.383 1.551 -12.564 1.00 30.00 H new ATOM 0 HE1 PHE A 66 -3.777 -2.451 -11.383 1.00 51.25 H new ATOM 0 HE2 PHE A 66 -4.229 1.122 -13.664 1.00 4.41 H new ATOM 0 HZ PHE A 66 -2.918 -0.877 -13.072 1.00 11.40 H new ATOM 1035 N LEU A 67 -6.768 2.655 -8.972 1.00 22.20 N ATOM 1036 CA LEU A 67 -5.809 3.734 -8.762 1.00 12.14 C ATOM 1037 C LEU A 67 -5.552 3.952 -7.274 1.00 15.11 C ATOM 1038 O LEU A 67 -4.650 4.698 -6.893 1.00 75.24 O ATOM 1039 CB LEU A 67 -6.320 5.028 -9.398 1.00 35.05 C ATOM 1040 CG LEU A 67 -7.098 4.872 -10.705 1.00 33.33 C ATOM 1041 CD1 LEU A 67 -7.155 6.194 -11.453 1.00 40.25 C ATOM 1042 CD2 LEU A 67 -6.470 3.791 -11.573 1.00 52.51 C ATOM 0 H LEU A 67 -7.725 2.967 -9.134 1.00 22.20 H new ATOM 0 HA LEU A 67 -4.870 3.450 -9.236 1.00 12.14 H new ATOM 0 HB2 LEU A 67 -6.960 5.536 -8.676 1.00 35.05 H new ATOM 0 HB3 LEU A 67 -5.466 5.680 -9.582 1.00 35.05 H new ATOM 0 HG LEU A 67 -8.118 4.570 -10.466 1.00 33.33 H new ATOM 0 HD11 LEU A 67 -7.713 6.064 -12.380 1.00 40.25 H new ATOM 0 HD12 LEU A 67 -7.651 6.941 -10.834 1.00 40.25 H new ATOM 0 HD13 LEU A 67 -6.143 6.526 -11.682 1.00 40.25 H new ATOM 0 HD21 LEU A 67 -7.036 3.693 -12.499 1.00 52.51 H new ATOM 0 HD22 LEU A 67 -5.440 4.063 -11.804 1.00 52.51 H new ATOM 0 HD23 LEU A 67 -6.483 2.841 -11.038 1.00 52.51 H new ATOM 1054 N GLN A 68 -6.350 3.295 -6.438 1.00 72.34 N ATOM 1055 CA GLN A 68 -6.208 3.416 -4.992 1.00 44.14 C ATOM 1056 C GLN A 68 -5.302 2.320 -4.441 1.00 4.21 C ATOM 1057 O GLN A 68 -5.134 2.192 -3.228 1.00 34.40 O ATOM 1058 CB GLN A 68 -7.578 3.350 -4.316 1.00 71.42 C ATOM 1059 CG GLN A 68 -8.100 4.704 -3.865 1.00 30.05 C ATOM 1060 CD GLN A 68 -9.304 5.162 -4.664 1.00 61.21 C ATOM 1061 OE1 GLN A 68 -10.353 5.479 -4.102 1.00 62.32 O ATOM 1062 NE2 GLN A 68 -9.159 5.199 -5.984 1.00 11.25 N ATOM 0 H GLN A 68 -7.101 2.674 -6.737 1.00 72.34 H new ATOM 0 HA GLN A 68 -5.751 4.382 -4.777 1.00 44.14 H new ATOM 0 HB2 GLN A 68 -8.294 2.906 -5.008 1.00 71.42 H new ATOM 0 HB3 GLN A 68 -7.516 2.688 -3.452 1.00 71.42 H new ATOM 0 HG2 GLN A 68 -8.368 4.653 -2.810 1.00 30.05 H new ATOM 0 HG3 GLN A 68 -7.305 5.444 -3.957 1.00 30.05 H new ATOM 0 HE21 GLN A 68 -8.272 4.927 -6.407 1.00 11.25 H new ATOM 0 HE22 GLN A 68 -9.935 5.499 -6.574 1.00 11.25 H new ATOM 1071 N ARG A 69 -4.720 1.533 -5.339 1.00 63.53 N ATOM 1072 CA ARG A 69 -3.832 0.446 -4.942 1.00 41.42 C ATOM 1073 C ARG A 69 -2.374 0.814 -5.200 1.00 43.24 C ATOM 1074 O ARG A 69 -1.474 0.369 -4.487 1.00 35.20 O ATOM 1075 CB ARG A 69 -4.188 -0.834 -5.699 1.00 63.43 C ATOM 1076 CG ARG A 69 -5.634 -0.886 -6.163 1.00 51.45 C ATOM 1077 CD ARG A 69 -6.599 -0.794 -4.992 1.00 22.14 C ATOM 1078 NE ARG A 69 -6.188 -1.643 -3.877 1.00 4.04 N ATOM 1079 CZ ARG A 69 -6.611 -1.474 -2.629 1.00 53.10 C ATOM 1080 NH1 ARG A 69 -7.454 -0.493 -2.339 1.00 15.40 N ATOM 1081 NH2 ARG A 69 -6.192 -2.288 -1.669 1.00 1.24 N ATOM 0 H ARG A 69 -4.847 1.627 -6.347 1.00 63.53 H new ATOM 0 HA ARG A 69 -3.962 0.276 -3.873 1.00 41.42 H new ATOM 0 HB2 ARG A 69 -3.534 -0.927 -6.566 1.00 63.43 H new ATOM 0 HB3 ARG A 69 -3.990 -1.692 -5.057 1.00 63.43 H new ATOM 0 HG2 ARG A 69 -5.824 -0.068 -6.857 1.00 51.45 H new ATOM 0 HG3 ARG A 69 -5.809 -1.814 -6.708 1.00 51.45 H new ATOM 0 HD2 ARG A 69 -6.663 0.241 -4.655 1.00 22.14 H new ATOM 0 HD3 ARG A 69 -7.597 -1.085 -5.321 1.00 22.14 H new ATOM 0 HE ARG A 69 -5.540 -2.408 -4.067 1.00 4.04 H new ATOM 0 HH11 ARG A 69 -7.779 0.134 -3.075 1.00 15.40 H new ATOM 0 HH12 ARG A 69 -7.777 -0.365 -1.380 1.00 15.40 H new ATOM 0 HH21 ARG A 69 -5.544 -3.045 -1.889 1.00 1.24 H new ATOM 0 HH22 ARG A 69 -6.518 -2.157 -0.711 1.00 1.24 H new ATOM 1095 N PHE A 70 -2.147 1.629 -6.225 1.00 41.22 N ATOM 1096 CA PHE A 70 -0.798 2.056 -6.579 1.00 30.21 C ATOM 1097 C PHE A 70 -0.547 3.493 -6.131 1.00 21.55 C ATOM 1098 O PHE A 70 0.596 3.945 -6.074 1.00 21.42 O ATOM 1099 CB PHE A 70 -0.582 1.936 -8.089 1.00 23.52 C ATOM 1100 CG PHE A 70 -0.512 0.516 -8.573 1.00 64.51 C ATOM 1101 CD1 PHE A 70 -1.662 -0.246 -8.697 1.00 15.12 C ATOM 1102 CD2 PHE A 70 0.706 -0.058 -8.904 1.00 75.13 C ATOM 1103 CE1 PHE A 70 -1.602 -1.553 -9.143 1.00 5.24 C ATOM 1104 CE2 PHE A 70 0.773 -1.364 -9.351 1.00 34.21 C ATOM 1105 CZ PHE A 70 -0.382 -2.113 -9.469 1.00 51.00 C ATOM 0 H PHE A 70 -2.880 2.007 -6.825 1.00 41.22 H new ATOM 0 HA PHE A 70 -0.091 1.405 -6.065 1.00 30.21 H new ATOM 0 HB2 PHE A 70 -1.394 2.448 -8.606 1.00 23.52 H new ATOM 0 HB3 PHE A 70 0.341 2.449 -8.358 1.00 23.52 H new ATOM 0 HD1 PHE A 70 -2.618 0.187 -8.442 1.00 15.12 H new ATOM 0 HD2 PHE A 70 1.612 0.522 -8.811 1.00 75.13 H new ATOM 0 HE1 PHE A 70 -2.507 -2.135 -9.236 1.00 5.24 H new ATOM 0 HE2 PHE A 70 1.728 -1.799 -9.608 1.00 34.21 H new ATOM 0 HZ PHE A 70 -0.331 -3.135 -9.816 1.00 51.00 H new ATOM 1115 N GLU A 71 -1.624 4.204 -5.814 1.00 12.21 N ATOM 1116 CA GLU A 71 -1.521 5.590 -5.372 1.00 44.01 C ATOM 1117 C GLU A 71 -2.037 5.746 -3.945 1.00 11.13 C ATOM 1118 O GLU A 71 -1.599 6.629 -3.208 1.00 4.14 O ATOM 1119 CB GLU A 71 -2.304 6.508 -6.313 1.00 4.33 C ATOM 1120 CG GLU A 71 -1.938 7.977 -6.174 1.00 22.50 C ATOM 1121 CD GLU A 71 -1.263 8.529 -7.414 1.00 45.21 C ATOM 1122 OE1 GLU A 71 -1.909 8.551 -8.482 1.00 43.33 O ATOM 1123 OE2 GLU A 71 -0.087 8.940 -7.316 1.00 12.04 O ATOM 0 H GLU A 71 -2.577 3.844 -5.855 1.00 12.21 H new ATOM 0 HA GLU A 71 -0.469 5.874 -5.392 1.00 44.01 H new ATOM 0 HB2 GLU A 71 -2.129 6.194 -7.342 1.00 4.33 H new ATOM 0 HB3 GLU A 71 -3.370 6.388 -6.120 1.00 4.33 H new ATOM 0 HG2 GLU A 71 -2.839 8.554 -5.968 1.00 22.50 H new ATOM 0 HG3 GLU A 71 -1.276 8.103 -5.318 1.00 22.50 H new ATOM 1130 N SER A 72 -2.972 4.882 -3.562 1.00 51.32 N ATOM 1131 CA SER A 72 -3.552 4.926 -2.225 1.00 53.11 C ATOM 1132 C SER A 72 -4.048 6.330 -1.894 1.00 12.31 C ATOM 1133 O SER A 72 -3.543 6.979 -0.979 1.00 14.42 O ATOM 1134 CB SER A 72 -2.524 4.478 -1.185 1.00 61.40 C ATOM 1135 OG SER A 72 -1.707 3.437 -1.692 1.00 24.32 O ATOM 0 H SER A 72 -3.344 4.143 -4.159 1.00 51.32 H new ATOM 0 HA SER A 72 -4.402 4.244 -2.202 1.00 53.11 H new ATOM 0 HB2 SER A 72 -1.902 5.325 -0.896 1.00 61.40 H new ATOM 0 HB3 SER A 72 -3.037 4.137 -0.286 1.00 61.40 H new ATOM 0 HG SER A 72 -1.057 3.169 -1.009 1.00 24.32 H new ATOM 1141 N GLY A 73 -5.042 6.793 -2.647 1.00 1.35 N ATOM 1142 CA GLY A 73 -5.590 8.117 -2.418 1.00 54.35 C ATOM 1143 C GLY A 73 -6.109 8.757 -3.691 1.00 35.10 C ATOM 1144 O GLY A 73 -6.858 9.732 -3.643 1.00 14.14 O ATOM 0 H GLY A 73 -5.477 6.275 -3.411 1.00 1.35 H new ATOM 0 HA2 GLY A 73 -6.400 8.051 -1.692 1.00 54.35 H new ATOM 0 HA3 GLY A 73 -4.821 8.755 -1.981 1.00 54.35 H new ATOM 1148 N ALA A 74 -5.710 8.208 -4.833 1.00 65.32 N ATOM 1149 CA ALA A 74 -6.139 8.731 -6.124 1.00 75.40 C ATOM 1150 C ALA A 74 -7.644 8.563 -6.311 1.00 24.21 C ATOM 1151 O ALA A 74 -8.336 8.056 -5.428 1.00 25.21 O ATOM 1152 CB ALA A 74 -5.385 8.040 -7.251 1.00 14.21 C ATOM 0 H ALA A 74 -5.090 7.400 -4.891 1.00 65.32 H new ATOM 0 HA ALA A 74 -5.912 9.797 -6.150 1.00 75.40 H new ATOM 0 HB1 ALA A 74 -5.716 8.441 -8.209 1.00 14.21 H new ATOM 0 HB2 ALA A 74 -4.316 8.215 -7.134 1.00 14.21 H new ATOM 0 HB3 ALA A 74 -5.583 6.969 -7.218 1.00 14.21 H new ATOM 1158 N ARG A 75 -8.143 8.992 -7.465 1.00 53.20 N ATOM 1159 CA ARG A 75 -9.566 8.891 -7.766 1.00 52.03 C ATOM 1160 C ARG A 75 -9.923 7.486 -8.242 1.00 65.40 C ATOM 1161 O ARG A 75 -9.059 6.613 -8.335 1.00 74.22 O ATOM 1162 CB ARG A 75 -9.958 9.916 -8.832 1.00 43.31 C ATOM 1163 CG ARG A 75 -9.200 9.756 -10.140 1.00 24.54 C ATOM 1164 CD ARG A 75 -9.645 10.780 -11.171 1.00 72.35 C ATOM 1165 NE ARG A 75 -11.098 10.812 -11.318 1.00 41.34 N ATOM 1166 CZ ARG A 75 -11.887 11.637 -10.638 1.00 60.53 C ATOM 1167 NH1 ARG A 75 -11.366 12.492 -9.769 1.00 72.13 N ATOM 1168 NH2 ARG A 75 -13.200 11.607 -10.827 1.00 70.52 N ATOM 0 H ARG A 75 -7.584 9.413 -8.207 1.00 53.20 H new ATOM 0 HA ARG A 75 -10.120 9.098 -6.851 1.00 52.03 H new ATOM 0 HB2 ARG A 75 -11.027 9.832 -9.029 1.00 43.31 H new ATOM 0 HB3 ARG A 75 -9.784 10.919 -8.441 1.00 43.31 H new ATOM 0 HG2 ARG A 75 -8.131 9.863 -9.957 1.00 24.54 H new ATOM 0 HG3 ARG A 75 -9.357 8.751 -10.532 1.00 24.54 H new ATOM 0 HD2 ARG A 75 -9.288 11.768 -10.879 1.00 72.35 H new ATOM 0 HD3 ARG A 75 -9.188 10.548 -12.133 1.00 72.35 H new ATOM 0 HE ARG A 75 -11.530 10.166 -11.978 1.00 41.34 H new ATOM 0 HH11 ARG A 75 -10.357 12.518 -9.621 1.00 72.13 H new ATOM 0 HH12 ARG A 75 -11.974 13.124 -9.248 1.00 72.13 H new ATOM 0 HH21 ARG A 75 -13.604 10.950 -11.495 1.00 70.52 H new ATOM 0 HH22 ARG A 75 -13.805 12.241 -10.305 1.00 70.52 H new ATOM 1182 N VAL A 76 -11.200 7.274 -8.541 1.00 73.13 N ATOM 1183 CA VAL A 76 -11.671 5.975 -9.008 1.00 12.32 C ATOM 1184 C VAL A 76 -11.888 5.979 -10.517 1.00 21.01 C ATOM 1185 O VAL A 76 -12.201 7.013 -11.108 1.00 0.42 O ATOM 1186 CB VAL A 76 -12.985 5.572 -8.313 1.00 30.25 C ATOM 1187 CG1 VAL A 76 -12.948 5.951 -6.840 1.00 55.40 C ATOM 1188 CG2 VAL A 76 -14.175 6.216 -9.008 1.00 61.41 C ATOM 0 H VAL A 76 -11.928 7.985 -8.468 1.00 73.13 H new ATOM 0 HA VAL A 76 -10.898 5.249 -8.757 1.00 12.32 H new ATOM 0 HB VAL A 76 -13.095 4.490 -8.383 1.00 30.25 H new ATOM 0 HG11 VAL A 76 -13.885 5.659 -6.365 1.00 55.40 H new ATOM 0 HG12 VAL A 76 -12.119 5.438 -6.353 1.00 55.40 H new ATOM 0 HG13 VAL A 76 -12.814 7.029 -6.745 1.00 55.40 H new ATOM 0 HG21 VAL A 76 -15.095 5.920 -8.504 1.00 61.41 H new ATOM 0 HG22 VAL A 76 -14.074 7.301 -8.972 1.00 61.41 H new ATOM 0 HG23 VAL A 76 -14.210 5.889 -10.047 1.00 61.41 H new ATOM 1198 N LEU A 77 -11.720 4.816 -11.136 1.00 20.42 N ATOM 1199 CA LEU A 77 -11.898 4.683 -12.578 1.00 2.43 C ATOM 1200 C LEU A 77 -13.281 5.165 -13.002 1.00 55.01 C ATOM 1201 O LEU A 77 -14.285 4.848 -12.363 1.00 31.23 O ATOM 1202 CB LEU A 77 -11.699 3.228 -13.005 1.00 3.14 C ATOM 1203 CG LEU A 77 -10.372 2.585 -12.599 1.00 32.04 C ATOM 1204 CD1 LEU A 77 -10.329 1.129 -13.035 1.00 72.22 C ATOM 1205 CD2 LEU A 77 -9.202 3.356 -13.192 1.00 10.24 C ATOM 0 H LEU A 77 -11.461 3.951 -10.662 1.00 20.42 H new ATOM 0 HA LEU A 77 -11.150 5.304 -13.070 1.00 2.43 H new ATOM 0 HB2 LEU A 77 -12.511 2.633 -12.587 1.00 3.14 H new ATOM 0 HB3 LEU A 77 -11.790 3.173 -14.090 1.00 3.14 H new ATOM 0 HG LEU A 77 -10.291 2.620 -11.513 1.00 32.04 H new ATOM 0 HD11 LEU A 77 -9.378 0.688 -12.738 1.00 72.22 H new ATOM 0 HD12 LEU A 77 -11.145 0.583 -12.562 1.00 72.22 H new ATOM 0 HD13 LEU A 77 -10.433 1.070 -14.118 1.00 72.22 H new ATOM 0 HD21 LEU A 77 -8.266 2.884 -12.893 1.00 10.24 H new ATOM 0 HD22 LEU A 77 -9.278 3.353 -14.279 1.00 10.24 H new ATOM 0 HD23 LEU A 77 -9.222 4.384 -12.829 1.00 10.24 H new ATOM 1217 N THR A 78 -13.329 5.932 -14.087 1.00 44.10 N ATOM 1218 CA THR A 78 -14.589 6.457 -14.598 1.00 64.30 C ATOM 1219 C THR A 78 -15.374 5.379 -15.336 1.00 61.23 C ATOM 1220 O THR A 78 -14.941 4.230 -15.419 1.00 75.34 O ATOM 1221 CB THR A 78 -14.358 7.648 -15.547 1.00 4.13 C ATOM 1222 OG1 THR A 78 -15.614 8.201 -15.954 1.00 72.42 O ATOM 1223 CG2 THR A 78 -13.565 7.218 -16.772 1.00 55.23 C ATOM 0 H THR A 78 -12.509 6.203 -14.629 1.00 44.10 H new ATOM 0 HA THR A 78 -15.163 6.795 -13.736 1.00 64.30 H new ATOM 0 HB THR A 78 -13.785 8.405 -15.011 1.00 4.13 H new ATOM 0 HG1 THR A 78 -16.160 8.390 -15.163 1.00 72.42 H new ATOM 0 HG21 THR A 78 -13.414 8.076 -17.427 1.00 55.23 H new ATOM 0 HG22 THR A 78 -12.597 6.826 -16.460 1.00 55.23 H new ATOM 0 HG23 THR A 78 -14.114 6.444 -17.308 1.00 55.23 H new ATOM 1231 N ALA A 79 -16.530 5.757 -15.872 1.00 0.35 N ATOM 1232 CA ALA A 79 -17.374 4.823 -16.606 1.00 33.05 C ATOM 1233 C ALA A 79 -16.710 4.390 -17.908 1.00 73.12 C ATOM 1234 O ALA A 79 -17.170 3.460 -18.571 1.00 23.21 O ATOM 1235 CB ALA A 79 -18.733 5.448 -16.886 1.00 31.43 C ATOM 0 H ALA A 79 -16.903 6.704 -15.811 1.00 0.35 H new ATOM 0 HA ALA A 79 -17.515 3.936 -15.988 1.00 33.05 H new ATOM 0 HB1 ALA A 79 -19.353 4.739 -17.435 1.00 31.43 H new ATOM 0 HB2 ALA A 79 -19.218 5.701 -15.943 1.00 31.43 H new ATOM 0 HB3 ALA A 79 -18.602 6.352 -17.481 1.00 31.43 H new ATOM 1241 N SER A 80 -15.627 5.071 -18.270 1.00 35.40 N ATOM 1242 CA SER A 80 -14.903 4.759 -19.496 1.00 62.24 C ATOM 1243 C SER A 80 -13.560 4.107 -19.183 1.00 23.52 C ATOM 1244 O SER A 80 -12.834 3.691 -20.086 1.00 33.03 O ATOM 1245 CB SER A 80 -14.686 6.028 -20.322 1.00 42.23 C ATOM 1246 OG SER A 80 -13.805 5.787 -21.406 1.00 53.01 O ATOM 0 H SER A 80 -15.232 5.842 -17.732 1.00 35.40 H new ATOM 0 HA SER A 80 -15.503 4.056 -20.074 1.00 62.24 H new ATOM 0 HB2 SER A 80 -15.643 6.388 -20.700 1.00 42.23 H new ATOM 0 HB3 SER A 80 -14.279 6.814 -19.686 1.00 42.23 H new ATOM 0 HG SER A 80 -13.429 4.885 -21.328 1.00 53.01 H new ATOM 1252 N GLU A 81 -13.236 4.021 -17.896 1.00 54.12 N ATOM 1253 CA GLU A 81 -11.980 3.420 -17.463 1.00 52.42 C ATOM 1254 C GLU A 81 -12.197 1.985 -16.993 1.00 12.02 C ATOM 1255 O GLU A 81 -11.614 1.046 -17.536 1.00 73.00 O ATOM 1256 CB GLU A 81 -11.354 4.248 -16.339 1.00 13.13 C ATOM 1257 CG GLU A 81 -10.746 5.557 -16.813 1.00 12.43 C ATOM 1258 CD GLU A 81 -9.230 5.538 -16.792 1.00 32.05 C ATOM 1259 OE1 GLU A 81 -8.648 4.462 -17.044 1.00 3.33 O ATOM 1260 OE2 GLU A 81 -8.626 6.597 -16.523 1.00 13.42 O ATOM 0 H GLU A 81 -13.826 4.360 -17.136 1.00 54.12 H new ATOM 0 HA GLU A 81 -11.301 3.406 -18.315 1.00 52.42 H new ATOM 0 HB2 GLU A 81 -12.116 4.462 -15.589 1.00 13.13 H new ATOM 0 HB3 GLU A 81 -10.582 3.655 -15.849 1.00 13.13 H new ATOM 0 HG2 GLU A 81 -11.089 5.767 -17.826 1.00 12.43 H new ATOM 0 HG3 GLU A 81 -11.104 6.370 -16.181 1.00 12.43 H new ATOM 1267 N THR A 82 -13.040 1.822 -15.978 1.00 12.13 N ATOM 1268 CA THR A 82 -13.334 0.503 -15.432 1.00 63.01 C ATOM 1269 C THR A 82 -13.766 -0.462 -16.530 1.00 21.42 C ATOM 1270 O THR A 82 -13.259 -1.581 -16.623 1.00 11.41 O ATOM 1271 CB THR A 82 -14.438 0.571 -14.360 1.00 41.33 C ATOM 1272 OG1 THR A 82 -15.044 1.869 -14.363 1.00 24.31 O ATOM 1273 CG2 THR A 82 -13.872 0.273 -12.980 1.00 45.32 C ATOM 0 H THR A 82 -13.531 2.588 -15.517 1.00 12.13 H new ATOM 0 HA THR A 82 -12.415 0.139 -14.973 1.00 63.01 H new ATOM 0 HB THR A 82 -15.190 -0.182 -14.596 1.00 41.33 H new ATOM 0 HG1 THR A 82 -15.746 1.904 -13.680 1.00 24.31 H new ATOM 0 HG21 THR A 82 -14.670 0.327 -12.240 1.00 45.32 H new ATOM 0 HG22 THR A 82 -13.438 -0.727 -12.973 1.00 45.32 H new ATOM 0 HG23 THR A 82 -13.102 1.005 -12.737 1.00 45.32 H new ATOM 1281 N LYS A 83 -14.705 -0.024 -17.361 1.00 13.32 N ATOM 1282 CA LYS A 83 -15.205 -0.848 -18.455 1.00 13.22 C ATOM 1283 C LYS A 83 -14.060 -1.331 -19.339 1.00 54.35 C ATOM 1284 O LYS A 83 -13.986 -2.509 -19.689 1.00 71.22 O ATOM 1285 CB LYS A 83 -16.215 -0.061 -19.293 1.00 41.34 C ATOM 1286 CG LYS A 83 -17.656 -0.263 -18.858 1.00 40.22 C ATOM 1287 CD LYS A 83 -18.626 0.430 -19.801 1.00 64.21 C ATOM 1288 CE LYS A 83 -20.070 0.197 -19.385 1.00 1.42 C ATOM 1289 NZ LYS A 83 -20.956 1.316 -19.809 1.00 13.43 N ATOM 0 H LYS A 83 -15.136 0.898 -17.298 1.00 13.32 H new ATOM 0 HA LYS A 83 -15.700 -1.719 -18.025 1.00 13.22 H new ATOM 0 HB2 LYS A 83 -15.973 1.000 -19.236 1.00 41.34 H new ATOM 0 HB3 LYS A 83 -16.115 -0.355 -20.338 1.00 41.34 H new ATOM 0 HG2 LYS A 83 -17.880 -1.329 -18.823 1.00 40.22 H new ATOM 0 HG3 LYS A 83 -17.790 0.124 -17.848 1.00 40.22 H new ATOM 0 HD2 LYS A 83 -18.419 1.500 -19.816 1.00 64.21 H new ATOM 0 HD3 LYS A 83 -18.475 0.062 -20.816 1.00 64.21 H new ATOM 0 HE2 LYS A 83 -20.428 -0.735 -19.822 1.00 1.42 H new ATOM 0 HE3 LYS A 83 -20.122 0.082 -18.302 1.00 1.42 H new ATOM 0 HZ1 LYS A 83 -21.932 1.120 -19.507 1.00 13.43 H new ATOM 0 HZ2 LYS A 83 -20.630 2.202 -19.372 1.00 13.43 H new ATOM 0 HZ3 LYS A 83 -20.926 1.409 -20.844 1.00 13.43 H new ATOM 1303 N THR A 84 -13.168 -0.413 -19.698 1.00 24.12 N ATOM 1304 CA THR A 84 -12.026 -0.745 -20.541 1.00 73.40 C ATOM 1305 C THR A 84 -11.172 -1.836 -19.905 1.00 71.23 C ATOM 1306 O THR A 84 -10.907 -2.869 -20.521 1.00 43.21 O ATOM 1307 CB THR A 84 -11.146 0.490 -20.807 1.00 50.35 C ATOM 1308 OG1 THR A 84 -11.950 1.567 -21.303 1.00 21.14 O ATOM 1309 CG2 THR A 84 -10.049 0.167 -21.810 1.00 61.05 C ATOM 0 H THR A 84 -13.215 0.567 -19.418 1.00 24.12 H new ATOM 0 HA THR A 84 -12.427 -1.107 -21.488 1.00 73.40 H new ATOM 0 HB THR A 84 -10.681 0.787 -19.867 1.00 50.35 H new ATOM 0 HG1 THR A 84 -12.309 2.081 -20.550 1.00 21.14 H new ATOM 0 HG21 THR A 84 -9.440 1.055 -21.982 1.00 61.05 H new ATOM 0 HG22 THR A 84 -9.421 -0.633 -21.418 1.00 61.05 H new ATOM 0 HG23 THR A 84 -10.498 -0.153 -22.750 1.00 61.05 H new ATOM 1317 N PHE A 85 -10.744 -1.601 -18.669 1.00 74.33 N ATOM 1318 CA PHE A 85 -9.919 -2.565 -17.950 1.00 13.42 C ATOM 1319 C PHE A 85 -10.595 -3.932 -17.903 1.00 40.04 C ATOM 1320 O PHE A 85 -9.968 -4.957 -18.176 1.00 11.32 O ATOM 1321 CB PHE A 85 -9.644 -2.071 -16.528 1.00 2.20 C ATOM 1322 CG PHE A 85 -8.447 -2.716 -15.891 1.00 22.55 C ATOM 1323 CD1 PHE A 85 -8.527 -4.002 -15.379 1.00 43.22 C ATOM 1324 CD2 PHE A 85 -7.242 -2.038 -15.803 1.00 62.41 C ATOM 1325 CE1 PHE A 85 -7.427 -4.598 -14.791 1.00 41.25 C ATOM 1326 CE2 PHE A 85 -6.138 -2.629 -15.217 1.00 34.42 C ATOM 1327 CZ PHE A 85 -6.231 -3.911 -14.711 1.00 70.32 C ATOM 0 H PHE A 85 -10.955 -0.752 -18.145 1.00 74.33 H new ATOM 0 HA PHE A 85 -8.973 -2.665 -18.483 1.00 13.42 H new ATOM 0 HB2 PHE A 85 -9.497 -0.991 -16.549 1.00 2.20 H new ATOM 0 HB3 PHE A 85 -10.521 -2.261 -15.910 1.00 2.20 H new ATOM 0 HD1 PHE A 85 -9.459 -4.544 -15.440 1.00 43.22 H new ATOM 0 HD2 PHE A 85 -7.164 -1.035 -16.197 1.00 62.41 H new ATOM 0 HE1 PHE A 85 -7.502 -5.600 -14.395 1.00 41.25 H new ATOM 0 HE2 PHE A 85 -5.205 -2.089 -15.155 1.00 34.42 H new ATOM 0 HZ PHE A 85 -5.370 -4.376 -14.254 1.00 70.32 H new ATOM 1337 N LEU A 86 -11.877 -3.940 -17.556 1.00 11.11 N ATOM 1338 CA LEU A 86 -12.640 -5.181 -17.473 1.00 4.22 C ATOM 1339 C LEU A 86 -12.753 -5.843 -18.842 1.00 64.40 C ATOM 1340 O LEU A 86 -12.690 -7.067 -18.958 1.00 13.15 O ATOM 1341 CB LEU A 86 -14.035 -4.908 -16.909 1.00 31.22 C ATOM 1342 CG LEU A 86 -15.023 -6.074 -16.969 1.00 40.22 C ATOM 1343 CD1 LEU A 86 -14.674 -7.124 -15.926 1.00 63.24 C ATOM 1344 CD2 LEU A 86 -16.447 -5.576 -16.771 1.00 75.45 C ATOM 0 H LEU A 86 -12.410 -3.101 -17.327 1.00 11.11 H new ATOM 0 HA LEU A 86 -12.111 -5.860 -16.804 1.00 4.22 H new ATOM 0 HB2 LEU A 86 -13.931 -4.599 -15.869 1.00 31.22 H new ATOM 0 HB3 LEU A 86 -14.465 -4.065 -17.450 1.00 31.22 H new ATOM 0 HG LEU A 86 -14.953 -6.534 -17.955 1.00 40.22 H new ATOM 0 HD11 LEU A 86 -15.388 -7.946 -15.984 1.00 63.24 H new ATOM 0 HD12 LEU A 86 -13.669 -7.503 -16.113 1.00 63.24 H new ATOM 0 HD13 LEU A 86 -14.715 -6.677 -14.932 1.00 63.24 H new ATOM 0 HD21 LEU A 86 -17.137 -6.419 -16.817 1.00 75.45 H new ATOM 0 HD22 LEU A 86 -16.531 -5.091 -15.799 1.00 75.45 H new ATOM 0 HD23 LEU A 86 -16.695 -4.861 -17.556 1.00 75.45 H new ATOM 1356 N ALA A 87 -12.917 -5.026 -19.877 1.00 61.32 N ATOM 1357 CA ALA A 87 -13.034 -5.533 -21.239 1.00 40.30 C ATOM 1358 C ALA A 87 -11.662 -5.837 -21.831 1.00 72.33 C ATOM 1359 O ALA A 87 -11.555 -6.303 -22.965 1.00 61.13 O ATOM 1360 CB ALA A 87 -13.778 -4.533 -22.112 1.00 4.41 C ATOM 0 H ALA A 87 -12.972 -4.011 -19.799 1.00 61.32 H new ATOM 0 HA ALA A 87 -13.601 -6.463 -21.207 1.00 40.30 H new ATOM 0 HB1 ALA A 87 -13.858 -4.924 -23.126 1.00 4.41 H new ATOM 0 HB2 ALA A 87 -14.776 -4.368 -21.707 1.00 4.41 H new ATOM 0 HB3 ALA A 87 -13.233 -3.589 -22.129 1.00 4.41 H new ATOM 1366 N ALA A 88 -10.616 -5.570 -21.057 1.00 22.43 N ATOM 1367 CA ALA A 88 -9.251 -5.817 -21.505 1.00 21.43 C ATOM 1368 C ALA A 88 -8.677 -7.071 -20.852 1.00 53.41 C ATOM 1369 O ALA A 88 -7.693 -7.635 -21.329 1.00 32.10 O ATOM 1370 CB ALA A 88 -8.371 -4.613 -21.204 1.00 63.30 C ATOM 0 H ALA A 88 -10.687 -5.182 -20.116 1.00 22.43 H new ATOM 0 HA ALA A 88 -9.272 -5.978 -22.583 1.00 21.43 H new ATOM 0 HB1 ALA A 88 -7.354 -4.811 -21.544 1.00 63.30 H new ATOM 0 HB2 ALA A 88 -8.763 -3.738 -21.722 1.00 63.30 H new ATOM 0 HB3 ALA A 88 -8.365 -4.426 -20.130 1.00 63.30 H new ATOM 1376 N ALA A 89 -9.299 -7.500 -19.759 1.00 5.14 N ATOM 1377 CA ALA A 89 -8.850 -8.687 -19.042 1.00 31.24 C ATOM 1378 C ALA A 89 -9.927 -9.767 -19.040 1.00 63.14 C ATOM 1379 O ALA A 89 -9.689 -10.894 -19.474 1.00 13.32 O ATOM 1380 CB ALA A 89 -8.460 -8.327 -17.616 1.00 2.32 C ATOM 0 H ALA A 89 -10.115 -7.044 -19.351 1.00 5.14 H new ATOM 0 HA ALA A 89 -7.975 -9.083 -19.558 1.00 31.24 H new ATOM 0 HB1 ALA A 89 -8.127 -9.223 -17.093 1.00 2.32 H new ATOM 0 HB2 ALA A 89 -7.652 -7.595 -17.633 1.00 2.32 H new ATOM 0 HB3 ALA A 89 -9.321 -7.904 -17.099 1.00 2.32 H new ATOM 1386 N ASP A 90 -11.111 -9.415 -18.550 1.00 23.34 N ATOM 1387 CA ASP A 90 -12.224 -10.356 -18.491 1.00 2.21 C ATOM 1388 C ASP A 90 -12.593 -10.849 -19.887 1.00 14.05 C ATOM 1389 O ASP A 90 -12.337 -12.001 -20.238 1.00 30.12 O ATOM 1390 CB ASP A 90 -13.439 -9.700 -17.831 1.00 44.13 C ATOM 1391 CG ASP A 90 -14.627 -10.637 -17.750 1.00 4.42 C ATOM 1392 OD1 ASP A 90 -15.446 -10.698 -18.667 1.00 20.21 O ATOM 1393 OD2 ASP A 90 -14.728 -11.372 -16.649 1.00 23.21 O ATOM 0 H ASP A 90 -11.325 -8.486 -18.188 1.00 23.34 H new ATOM 0 HA ASP A 90 -11.913 -11.213 -17.893 1.00 2.21 H new ATOM 0 HB2 ASP A 90 -13.170 -9.370 -16.827 1.00 44.13 H new ATOM 0 HB3 ASP A 90 -13.719 -8.810 -18.395 1.00 44.13 H new ATOM 1398 N HIS A 91 -13.197 -9.969 -20.679 1.00 1.41 N ATOM 1399 CA HIS A 91 -13.601 -10.314 -22.037 1.00 41.32 C ATOM 1400 C HIS A 91 -14.316 -11.661 -22.066 1.00 33.05 C ATOM 1401 O HIS A 91 -14.348 -12.336 -23.094 1.00 72.44 O ATOM 1402 CB HIS A 91 -12.383 -10.351 -22.960 1.00 43.44 C ATOM 1403 CG HIS A 91 -12.693 -9.975 -24.377 1.00 2.44 C ATOM 1404 ND1 HIS A 91 -11.763 -9.415 -25.228 1.00 31.53 N ATOM 1405 CD2 HIS A 91 -13.838 -10.082 -25.091 1.00 24.23 C ATOM 1406 CE1 HIS A 91 -12.323 -9.194 -26.403 1.00 51.35 C ATOM 1407 NE2 HIS A 91 -13.582 -9.590 -26.347 1.00 2.11 N ATOM 0 H HIS A 91 -13.417 -9.012 -20.404 1.00 1.41 H new ATOM 0 HA HIS A 91 -14.292 -9.548 -22.389 1.00 41.32 H new ATOM 0 HB2 HIS A 91 -11.622 -9.674 -22.571 1.00 43.44 H new ATOM 0 HB3 HIS A 91 -11.956 -11.354 -22.944 1.00 43.44 H new ATOM 0 HD2 HIS A 91 -14.778 -10.480 -24.738 1.00 24.23 H new ATOM 0 HE1 HIS A 91 -11.834 -8.763 -27.264 1.00 51.35 H new ATOM 0 HE2 HIS A 91 -14.254 -9.539 -27.112 1.00 2.11 H new ATOM 1415 N ASP A 92 -14.888 -12.046 -20.930 1.00 1.33 N ATOM 1416 CA ASP A 92 -15.603 -13.312 -20.824 1.00 71.23 C ATOM 1417 C ASP A 92 -17.049 -13.086 -20.394 1.00 1.44 C ATOM 1418 O ASP A 92 -17.875 -13.995 -20.455 1.00 54.23 O ATOM 1419 CB ASP A 92 -14.901 -14.238 -19.830 1.00 3.22 C ATOM 1420 CG ASP A 92 -14.952 -13.708 -18.410 1.00 70.12 C ATOM 1421 OD1 ASP A 92 -15.928 -13.005 -18.075 1.00 22.03 O ATOM 1422 OD2 ASP A 92 -14.016 -13.996 -17.635 1.00 0.11 O ATOM 0 H ASP A 92 -14.870 -11.499 -20.069 1.00 1.33 H new ATOM 0 HA ASP A 92 -15.605 -13.782 -21.807 1.00 71.23 H new ATOM 0 HB2 ASP A 92 -15.367 -15.223 -19.864 1.00 3.22 H new ATOM 0 HB3 ASP A 92 -13.861 -14.367 -20.130 1.00 3.22 H new ATOM 1427 N GLY A 93 -17.347 -11.866 -19.956 1.00 43.21 N ATOM 1428 CA GLY A 93 -18.692 -11.542 -19.520 1.00 75.12 C ATOM 1429 C GLY A 93 -18.970 -12.004 -18.103 1.00 41.24 C ATOM 1430 O GLY A 93 -19.937 -12.725 -17.856 1.00 41.42 O ATOM 0 H GLY A 93 -16.680 -11.097 -19.896 1.00 43.21 H new ATOM 0 HA2 GLY A 93 -18.841 -10.464 -19.583 1.00 75.12 H new ATOM 0 HA3 GLY A 93 -19.411 -12.004 -20.197 1.00 75.12 H new ATOM 1434 N ASP A 94 -18.119 -11.590 -17.171 1.00 12.22 N ATOM 1435 CA ASP A 94 -18.277 -11.966 -15.771 1.00 30.03 C ATOM 1436 C ASP A 94 -18.314 -10.730 -14.877 1.00 21.42 C ATOM 1437 O ASP A 94 -18.717 -10.803 -13.717 1.00 12.32 O ATOM 1438 CB ASP A 94 -17.138 -12.890 -15.337 1.00 71.44 C ATOM 1439 CG ASP A 94 -17.081 -14.163 -16.159 1.00 33.41 C ATOM 1440 OD1 ASP A 94 -18.108 -14.518 -16.774 1.00 33.41 O ATOM 1441 OD2 ASP A 94 -16.010 -14.805 -16.186 1.00 60.01 O ATOM 0 H ASP A 94 -17.313 -10.994 -17.359 1.00 12.22 H new ATOM 0 HA ASP A 94 -19.224 -12.496 -15.668 1.00 30.03 H new ATOM 0 HB2 ASP A 94 -16.190 -12.360 -15.427 1.00 71.44 H new ATOM 0 HB3 ASP A 94 -17.262 -13.146 -14.285 1.00 71.44 H new ATOM 1446 N GLY A 95 -17.889 -9.596 -15.425 1.00 63.24 N ATOM 1447 CA GLY A 95 -17.880 -8.361 -14.663 1.00 71.23 C ATOM 1448 C GLY A 95 -16.937 -8.418 -13.478 1.00 0.10 C ATOM 1449 O GLY A 95 -16.981 -7.558 -12.598 1.00 33.33 O ATOM 0 H GLY A 95 -17.551 -9.510 -16.383 1.00 63.24 H new ATOM 0 HA2 GLY A 95 -17.590 -7.537 -15.315 1.00 71.23 H new ATOM 0 HA3 GLY A 95 -18.889 -8.148 -14.310 1.00 71.23 H new ATOM 1453 N LYS A 96 -16.081 -9.434 -13.453 1.00 33.12 N ATOM 1454 CA LYS A 96 -15.123 -9.601 -12.367 1.00 20.32 C ATOM 1455 C LYS A 96 -13.804 -10.163 -12.887 1.00 23.21 C ATOM 1456 O LYS A 96 -13.790 -11.088 -13.699 1.00 61.43 O ATOM 1457 CB LYS A 96 -15.696 -10.528 -11.292 1.00 3.12 C ATOM 1458 CG LYS A 96 -16.138 -11.879 -11.826 1.00 62.13 C ATOM 1459 CD LYS A 96 -17.578 -12.184 -11.448 1.00 64.34 C ATOM 1460 CE LYS A 96 -17.656 -13.261 -10.377 1.00 14.22 C ATOM 1461 NZ LYS A 96 -18.679 -12.940 -9.343 1.00 21.32 N ATOM 0 H LYS A 96 -16.031 -10.155 -14.173 1.00 33.12 H new ATOM 0 HA LYS A 96 -14.933 -8.621 -11.929 1.00 20.32 H new ATOM 0 HB2 LYS A 96 -14.944 -10.681 -10.518 1.00 3.12 H new ATOM 0 HB3 LYS A 96 -16.547 -10.038 -10.818 1.00 3.12 H new ATOM 0 HG2 LYS A 96 -16.035 -11.894 -12.911 1.00 62.13 H new ATOM 0 HG3 LYS A 96 -15.485 -12.658 -11.433 1.00 62.13 H new ATOM 0 HD2 LYS A 96 -18.061 -11.276 -11.088 1.00 64.34 H new ATOM 0 HD3 LYS A 96 -18.127 -12.508 -12.332 1.00 64.34 H new ATOM 0 HE2 LYS A 96 -17.896 -14.218 -10.841 1.00 14.22 H new ATOM 0 HE3 LYS A 96 -16.681 -13.372 -9.902 1.00 14.22 H new ATOM 0 HZ1 LYS A 96 -18.702 -13.697 -8.631 1.00 21.32 H new ATOM 0 HZ2 LYS A 96 -18.437 -12.039 -8.883 1.00 21.32 H new ATOM 0 HZ3 LYS A 96 -19.613 -12.859 -9.792 1.00 21.32 H new ATOM 1475 N ILE A 97 -12.698 -9.599 -12.413 1.00 21.42 N ATOM 1476 CA ILE A 97 -11.374 -10.047 -12.829 1.00 14.43 C ATOM 1477 C ILE A 97 -10.883 -11.196 -11.955 1.00 3.40 C ATOM 1478 O ILE A 97 -11.189 -11.260 -10.765 1.00 43.51 O ATOM 1479 CB ILE A 97 -10.349 -8.899 -12.773 1.00 1.23 C ATOM 1480 CG1 ILE A 97 -10.766 -7.767 -13.713 1.00 53.44 C ATOM 1481 CG2 ILE A 97 -8.962 -9.410 -13.133 1.00 1.23 C ATOM 1482 CD1 ILE A 97 -10.707 -8.144 -15.177 1.00 25.00 C ATOM 0 H ILE A 97 -12.692 -8.832 -11.741 1.00 21.42 H new ATOM 0 HA ILE A 97 -11.466 -10.391 -13.859 1.00 14.43 H new ATOM 0 HB ILE A 97 -10.319 -8.508 -11.756 1.00 1.23 H new ATOM 0 HG12 ILE A 97 -11.781 -7.457 -13.467 1.00 53.44 H new ATOM 0 HG13 ILE A 97 -10.119 -6.906 -13.541 1.00 53.44 H new ATOM 0 HG21 ILE A 97 -8.248 -8.587 -13.089 1.00 1.23 H new ATOM 0 HG22 ILE A 97 -8.665 -10.186 -12.427 1.00 1.23 H new ATOM 0 HG23 ILE A 97 -8.977 -9.824 -14.141 1.00 1.23 H new ATOM 0 HD11 ILE A 97 -11.016 -7.293 -15.785 1.00 25.00 H new ATOM 0 HD12 ILE A 97 -9.687 -8.426 -15.439 1.00 25.00 H new ATOM 0 HD13 ILE A 97 -11.375 -8.985 -15.363 1.00 25.00 H new ATOM 1494 N GLY A 98 -10.116 -12.102 -12.554 1.00 53.04 N ATOM 1495 CA GLY A 98 -9.593 -13.236 -11.816 1.00 4.03 C ATOM 1496 C GLY A 98 -8.095 -13.398 -11.987 1.00 73.23 C ATOM 1497 O GLY A 98 -7.453 -12.603 -12.672 1.00 5.22 O ATOM 0 H GLY A 98 -9.848 -12.070 -13.538 1.00 53.04 H new ATOM 0 HA2 GLY A 98 -9.824 -13.115 -10.758 1.00 4.03 H new ATOM 0 HA3 GLY A 98 -10.094 -14.145 -12.149 1.00 4.03 H new ATOM 1501 N ALA A 99 -7.538 -14.430 -11.363 1.00 31.53 N ATOM 1502 CA ALA A 99 -6.107 -14.694 -11.450 1.00 32.41 C ATOM 1503 C ALA A 99 -5.779 -15.542 -12.674 1.00 60.32 C ATOM 1504 O ALA A 99 -4.644 -15.985 -12.847 1.00 31.43 O ATOM 1505 CB ALA A 99 -5.619 -15.382 -10.183 1.00 51.43 C ATOM 0 H ALA A 99 -8.056 -15.097 -10.791 1.00 31.53 H new ATOM 0 HA ALA A 99 -5.592 -13.739 -11.553 1.00 32.41 H new ATOM 0 HB1 ALA A 99 -4.549 -15.573 -10.262 1.00 51.43 H new ATOM 0 HB2 ALA A 99 -5.811 -14.740 -9.323 1.00 51.43 H new ATOM 0 HB3 ALA A 99 -6.148 -16.327 -10.055 1.00 51.43 H new ATOM 1511 N GLU A 100 -6.780 -15.764 -13.520 1.00 60.23 N ATOM 1512 CA GLU A 100 -6.596 -16.561 -14.728 1.00 13.13 C ATOM 1513 C GLU A 100 -6.901 -15.737 -15.975 1.00 53.42 C ATOM 1514 O GLU A 100 -6.703 -16.197 -17.099 1.00 10.11 O ATOM 1515 CB GLU A 100 -7.494 -17.800 -14.690 1.00 3.34 C ATOM 1516 CG GLU A 100 -6.919 -18.943 -13.871 1.00 4.04 C ATOM 1517 CD GLU A 100 -7.747 -20.209 -13.973 1.00 54.40 C ATOM 1518 OE1 GLU A 100 -8.938 -20.171 -13.599 1.00 0.23 O ATOM 1519 OE2 GLU A 100 -7.204 -21.237 -14.428 1.00 75.22 O ATOM 0 H GLU A 100 -7.726 -15.404 -13.392 1.00 60.23 H new ATOM 0 HA GLU A 100 -5.554 -16.877 -14.768 1.00 13.13 H new ATOM 0 HB2 GLU A 100 -8.465 -17.522 -14.279 1.00 3.34 H new ATOM 0 HB3 GLU A 100 -7.666 -18.145 -15.709 1.00 3.34 H new ATOM 0 HG2 GLU A 100 -5.903 -19.150 -14.207 1.00 4.04 H new ATOM 0 HG3 GLU A 100 -6.854 -18.639 -12.826 1.00 4.04 H new ATOM 1526 N GLU A 101 -7.385 -14.516 -15.767 1.00 72.01 N ATOM 1527 CA GLU A 101 -7.719 -13.628 -16.875 1.00 30.33 C ATOM 1528 C GLU A 101 -7.074 -12.258 -16.687 1.00 13.00 C ATOM 1529 O GLU A 101 -7.282 -11.347 -17.489 1.00 3.13 O ATOM 1530 CB GLU A 101 -9.237 -13.478 -16.997 1.00 42.41 C ATOM 1531 CG GLU A 101 -9.921 -13.127 -15.687 1.00 12.43 C ATOM 1532 CD GLU A 101 -11.430 -13.055 -15.818 1.00 12.24 C ATOM 1533 OE1 GLU A 101 -12.060 -14.117 -16.004 1.00 60.13 O ATOM 1534 OE2 GLU A 101 -11.981 -11.937 -15.734 1.00 31.43 O ATOM 0 H GLU A 101 -7.554 -14.120 -14.843 1.00 72.01 H new ATOM 0 HA GLU A 101 -7.330 -14.070 -17.792 1.00 30.33 H new ATOM 0 HB2 GLU A 101 -9.459 -12.704 -17.732 1.00 42.41 H new ATOM 0 HB3 GLU A 101 -9.656 -14.409 -17.378 1.00 42.41 H new ATOM 0 HG2 GLU A 101 -9.660 -13.871 -14.935 1.00 12.43 H new ATOM 0 HG3 GLU A 101 -9.545 -12.168 -15.330 1.00 12.43 H new ATOM 1541 N PHE A 102 -6.292 -12.120 -15.622 1.00 1.32 N ATOM 1542 CA PHE A 102 -5.618 -10.861 -15.327 1.00 4.22 C ATOM 1543 C PHE A 102 -4.280 -10.776 -16.057 1.00 13.12 C ATOM 1544 O PHE A 102 -4.071 -9.893 -16.888 1.00 2.33 O ATOM 1545 CB PHE A 102 -5.399 -10.716 -13.819 1.00 64.13 C ATOM 1546 CG PHE A 102 -4.673 -9.458 -13.437 1.00 53.30 C ATOM 1547 CD1 PHE A 102 -5.321 -8.233 -13.466 1.00 20.13 C ATOM 1548 CD2 PHE A 102 -3.344 -9.499 -13.048 1.00 70.35 C ATOM 1549 CE1 PHE A 102 -4.656 -7.074 -13.115 1.00 45.31 C ATOM 1550 CE2 PHE A 102 -2.673 -8.343 -12.696 1.00 74.04 C ATOM 1551 CZ PHE A 102 -3.331 -7.129 -12.729 1.00 5.22 C ATOM 0 H PHE A 102 -6.109 -12.864 -14.949 1.00 1.32 H new ATOM 0 HA PHE A 102 -6.254 -10.047 -15.675 1.00 4.22 H new ATOM 0 HB2 PHE A 102 -6.366 -10.735 -13.316 1.00 64.13 H new ATOM 0 HB3 PHE A 102 -4.835 -11.576 -13.458 1.00 64.13 H new ATOM 0 HD1 PHE A 102 -6.357 -8.184 -13.766 1.00 20.13 H new ATOM 0 HD2 PHE A 102 -2.826 -10.446 -13.019 1.00 70.35 H new ATOM 0 HE1 PHE A 102 -5.172 -6.126 -13.142 1.00 45.31 H new ATOM 0 HE2 PHE A 102 -1.637 -8.389 -12.396 1.00 74.04 H new ATOM 0 HZ PHE A 102 -2.810 -6.224 -12.453 1.00 5.22 H new ATOM 1561 N GLN A 103 -3.380 -11.700 -15.739 1.00 62.40 N ATOM 1562 CA GLN A 103 -2.063 -11.729 -16.363 1.00 65.45 C ATOM 1563 C GLN A 103 -2.180 -11.686 -17.883 1.00 45.15 C ATOM 1564 O GLN A 103 -1.370 -11.051 -18.559 1.00 74.32 O ATOM 1565 CB GLN A 103 -1.299 -12.984 -15.935 1.00 0.55 C ATOM 1566 CG GLN A 103 -2.053 -14.276 -16.202 1.00 61.14 C ATOM 1567 CD GLN A 103 -2.007 -15.233 -15.027 1.00 44.14 C ATOM 1568 OE1 GLN A 103 -1.729 -16.422 -15.190 1.00 53.54 O ATOM 1569 NE2 GLN A 103 -2.279 -14.719 -13.834 1.00 5.42 N ATOM 0 H GLN A 103 -3.539 -12.438 -15.053 1.00 62.40 H new ATOM 0 HA GLN A 103 -1.514 -10.847 -16.033 1.00 65.45 H new ATOM 0 HB2 GLN A 103 -0.345 -13.015 -16.460 1.00 0.55 H new ATOM 0 HB3 GLN A 103 -1.075 -12.917 -14.870 1.00 0.55 H new ATOM 0 HG2 GLN A 103 -3.092 -14.044 -16.436 1.00 61.14 H new ATOM 0 HG3 GLN A 103 -1.630 -14.764 -17.080 1.00 61.14 H new ATOM 0 HE21 GLN A 103 -2.504 -13.728 -13.745 1.00 5.42 H new ATOM 0 HE22 GLN A 103 -2.263 -15.315 -13.006 1.00 5.42 H new ATOM 1578 N GLU A 104 -3.192 -12.365 -18.414 1.00 23.31 N ATOM 1579 CA GLU A 104 -3.413 -12.404 -19.855 1.00 22.43 C ATOM 1580 C GLU A 104 -3.543 -10.994 -20.424 1.00 30.43 C ATOM 1581 O GLU A 104 -3.189 -10.743 -21.575 1.00 64.41 O ATOM 1582 CB GLU A 104 -4.670 -13.215 -20.178 1.00 44.14 C ATOM 1583 CG GLU A 104 -5.963 -12.467 -19.904 1.00 35.45 C ATOM 1584 CD GLU A 104 -6.515 -11.782 -21.139 1.00 31.24 C ATOM 1585 OE1 GLU A 104 -6.719 -12.473 -22.159 1.00 21.53 O ATOM 1586 OE2 GLU A 104 -6.743 -10.556 -21.086 1.00 4.43 O ATOM 0 H GLU A 104 -3.871 -12.895 -17.868 1.00 23.31 H new ATOM 0 HA GLU A 104 -2.551 -12.885 -20.317 1.00 22.43 H new ATOM 0 HB2 GLU A 104 -4.644 -13.507 -21.228 1.00 44.14 H new ATOM 0 HB3 GLU A 104 -4.660 -14.134 -19.592 1.00 44.14 H new ATOM 0 HG2 GLU A 104 -6.706 -13.164 -19.517 1.00 35.45 H new ATOM 0 HG3 GLU A 104 -5.790 -11.722 -19.127 1.00 35.45 H new ATOM 1593 N MET A 105 -4.055 -10.078 -19.608 1.00 25.52 N ATOM 1594 CA MET A 105 -4.231 -8.694 -20.029 1.00 53.43 C ATOM 1595 C MET A 105 -2.936 -7.905 -19.864 1.00 21.45 C ATOM 1596 O MET A 105 -2.779 -6.823 -20.430 1.00 31.44 O ATOM 1597 CB MET A 105 -5.351 -8.032 -19.224 1.00 12.01 C ATOM 1598 CG MET A 105 -4.873 -7.389 -17.932 1.00 43.14 C ATOM 1599 SD MET A 105 -4.741 -5.595 -18.057 1.00 50.10 S ATOM 1600 CE MET A 105 -6.431 -5.159 -18.460 1.00 43.44 C ATOM 0 H MET A 105 -4.355 -10.270 -18.652 1.00 25.52 H new ATOM 0 HA MET A 105 -4.503 -8.694 -21.085 1.00 53.43 H new ATOM 0 HB2 MET A 105 -5.832 -7.273 -19.842 1.00 12.01 H new ATOM 0 HB3 MET A 105 -6.109 -8.779 -18.989 1.00 12.01 H new ATOM 0 HG2 MET A 105 -5.563 -7.644 -17.127 1.00 43.14 H new ATOM 0 HG3 MET A 105 -3.901 -7.803 -17.662 1.00 43.14 H new ATOM 0 HE1 MET A 105 -6.795 -4.418 -17.749 1.00 43.44 H new ATOM 0 HE2 MET A 105 -6.470 -4.745 -19.468 1.00 43.44 H new ATOM 0 HE3 MET A 105 -7.058 -6.049 -18.409 1.00 43.44 H new ATOM 1610 N VAL A 106 -2.010 -8.454 -19.084 1.00 21.34 N ATOM 1611 CA VAL A 106 -0.728 -7.803 -18.844 1.00 42.41 C ATOM 1612 C VAL A 106 0.256 -8.094 -19.972 1.00 31.33 C ATOM 1613 O VAL A 106 0.473 -7.260 -20.849 1.00 43.45 O ATOM 1614 CB VAL A 106 -0.109 -8.255 -17.508 1.00 52.11 C ATOM 1615 CG1 VAL A 106 1.080 -7.378 -17.146 1.00 72.20 C ATOM 1616 CG2 VAL A 106 -1.154 -8.233 -16.403 1.00 14.10 C ATOM 0 H VAL A 106 -2.124 -9.349 -18.607 1.00 21.34 H new ATOM 0 HA VAL A 106 -0.921 -6.731 -18.801 1.00 42.41 H new ATOM 0 HB VAL A 106 0.247 -9.279 -17.620 1.00 52.11 H new ATOM 0 HG11 VAL A 106 1.504 -7.713 -16.199 1.00 72.20 H new ATOM 0 HG12 VAL A 106 1.836 -7.449 -17.928 1.00 72.20 H new ATOM 0 HG13 VAL A 106 0.753 -6.343 -17.051 1.00 72.20 H new ATOM 0 HG21 VAL A 106 -0.700 -8.555 -15.466 1.00 14.10 H new ATOM 0 HG22 VAL A 106 -1.542 -7.221 -16.289 1.00 14.10 H new ATOM 0 HG23 VAL A 106 -1.971 -8.907 -16.661 1.00 14.10 H new ATOM 1626 N GLN A 107 0.847 -9.284 -19.941 1.00 22.23 N ATOM 1627 CA GLN A 107 1.809 -9.686 -20.961 1.00 14.32 C ATOM 1628 C GLN A 107 1.147 -9.760 -22.333 1.00 43.41 C ATOM 1629 O GLN A 107 1.765 -9.440 -23.349 1.00 11.34 O ATOM 1630 CB GLN A 107 2.426 -11.040 -20.605 1.00 53.54 C ATOM 1631 CG GLN A 107 3.154 -11.045 -19.271 1.00 41.31 C ATOM 1632 CD GLN A 107 2.811 -12.254 -18.424 1.00 24.12 C ATOM 1633 OE1 GLN A 107 3.655 -13.119 -18.187 1.00 34.54 O ATOM 1634 NE2 GLN A 107 1.568 -12.320 -17.962 1.00 22.53 N ATOM 0 H GLN A 107 0.677 -9.986 -19.221 1.00 22.23 H new ATOM 0 HA GLN A 107 2.598 -8.934 -20.998 1.00 14.32 H new ATOM 0 HB2 GLN A 107 1.639 -11.794 -20.583 1.00 53.54 H new ATOM 0 HB3 GLN A 107 3.123 -11.330 -21.391 1.00 53.54 H new ATOM 0 HG2 GLN A 107 4.229 -11.023 -19.448 1.00 41.31 H new ATOM 0 HG3 GLN A 107 2.903 -10.138 -18.721 1.00 41.31 H new ATOM 0 HE21 GLN A 107 0.902 -11.580 -18.184 1.00 22.53 H new ATOM 0 HE22 GLN A 107 1.279 -13.110 -17.386 1.00 22.53 H new ATOM 1643 N SER A 108 -0.112 -10.184 -22.355 1.00 53.35 N ATOM 1644 CA SER A 108 -0.856 -10.304 -23.604 1.00 13.32 C ATOM 1645 C SER A 108 -0.074 -11.122 -24.626 1.00 43.03 C ATOM 1646 O SER A 108 0.016 -10.751 -25.795 1.00 43.43 O ATOM 1647 CB SER A 108 -1.166 -8.918 -24.173 1.00 13.34 C ATOM 1648 OG SER A 108 -1.942 -9.013 -25.355 1.00 32.35 O ATOM 0 H SER A 108 -0.639 -10.450 -21.523 1.00 53.35 H new ATOM 0 HA SER A 108 -1.793 -10.820 -23.392 1.00 13.32 H new ATOM 0 HB2 SER A 108 -1.701 -8.328 -23.429 1.00 13.34 H new ATOM 0 HB3 SER A 108 -0.235 -8.393 -24.387 1.00 13.34 H new ATOM 0 HG SER A 108 -1.511 -9.632 -25.980 1.00 32.35 H new TER 1654 SER A 108 HETATM 1655 CA CA A 109 -13.855 -9.350 -4.975 1.00 54.23 CA HETATM 1656 CA CA A 110 -14.296 -13.108 -15.362 1.00 74.15 CA