USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 755 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 47 THR OG1 : rot 43:sc= -0.153 USER MOD Set 1.2: A 83 SER OG : rot -69:sc= -0.577 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.396 X(o=-0.4,f=-0.052) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -110:sc= -0.686 USER MOD Single : A 39 LYS NZ :NH3+ -111:sc= -1.21 (180deg=-5.05!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.155 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -4.52! C(o=-4.5!,f=-3.7!) USER MOD Single : A 55 SER OG : rot -170:sc= -0.156 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.0043) USER MOD Single : A 61 HIS : no HE2:sc= -0.0556 K(o=-0.056,f=-0.97) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -49:sc= 0.849 USER MOD Single : A 70 SER OG : rot -70:sc= 0.458 USER MOD Single : A 75 THR OG1 : rot -23:sc= 1.64 USER MOD Single : A 76 HIS : no HE2:sc= -8.52! C(o=-8.5!,f=-15!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 23:sc= 1.18 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -1.39 X(o=-1.4,f=-1.8) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -110:sc= 0 (180deg=-0.274) USER MOD Single : A 111 HIS : no HD1:sc=-0.00411 X(o=-0.0041,f=-0.16) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 MET CE :methyl 180:sc= -0.057 (180deg=-0.057) USER MOD Single : A 116 THR OG1 : rot -139:sc= -1.26 USER MOD Single : A 117 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 118 LYS NZ :NH3+ -166:sc= 0.00627 (180deg=-0.00766) USER MOD Single : A 119 THR OG1 : rot -90:sc= 0.362 USER MOD Single : A 123 GLN : amide:sc= -0.0427 K(o=-0.043,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 24 -2.477 11.797 28.851 1.00 23.43 N ATOM 2 CA MET A 24 -3.091 12.994 28.291 1.00 41.33 C ATOM 3 C MET A 24 -4.541 12.729 27.899 1.00 0.31 C ATOM 4 O MET A 24 -5.430 13.528 28.196 1.00 51.32 O ATOM 5 CB MET A 24 -2.301 13.475 27.071 1.00 34.00 C ATOM 6 CG MET A 24 -2.740 14.839 26.562 1.00 31.30 C ATOM 7 SD MET A 24 -3.614 14.745 24.988 1.00 1.15 S ATOM 8 CE MET A 24 -3.490 16.443 24.431 1.00 55.11 C ATOM 0 HA MET A 24 -3.076 13.771 29.055 1.00 41.33 H new ATOM 0 HB2 MET A 24 -1.242 13.515 27.327 1.00 34.00 H new ATOM 0 HB3 MET A 24 -2.408 12.745 26.268 1.00 34.00 H new ATOM 0 HG2 MET A 24 -3.386 15.309 27.304 1.00 31.30 H new ATOM 0 HG3 MET A 24 -1.865 15.479 26.450 1.00 31.30 H new ATOM 0 HE1 MET A 24 -3.986 16.546 23.466 1.00 55.11 H new ATOM 0 HE2 MET A 24 -3.969 17.100 25.157 1.00 55.11 H new ATOM 0 HE3 MET A 24 -2.440 16.717 24.331 1.00 55.11 H new ATOM 18 N ALA A 25 -4.774 11.604 27.232 1.00 23.24 N ATOM 19 CA ALA A 25 -6.116 11.233 26.803 1.00 54.33 C ATOM 20 C ALA A 25 -6.243 9.722 26.643 1.00 74.15 C ATOM 21 O ALA A 25 -5.255 9.028 26.404 1.00 11.43 O ATOM 22 CB ALA A 25 -6.465 11.935 25.500 1.00 54.51 C ATOM 0 H ALA A 25 -4.050 10.933 26.977 1.00 23.24 H new ATOM 0 HA ALA A 25 -6.819 11.550 27.574 1.00 54.33 H new ATOM 0 HB1 ALA A 25 -7.470 11.649 25.191 1.00 54.51 H new ATOM 0 HB2 ALA A 25 -6.423 13.014 25.646 1.00 54.51 H new ATOM 0 HB3 ALA A 25 -5.752 11.645 24.728 1.00 54.51 H new ATOM 28 N GLU A 26 -7.467 9.218 26.775 1.00 44.52 N ATOM 29 CA GLU A 26 -7.721 7.788 26.646 1.00 13.10 C ATOM 30 C GLU A 26 -8.874 7.527 25.681 1.00 22.41 C ATOM 31 O GLU A 26 -10.043 7.694 26.031 1.00 21.34 O ATOM 32 CB GLU A 26 -8.038 7.179 28.013 1.00 54.11 C ATOM 33 CG GLU A 26 -7.881 5.668 28.057 1.00 41.30 C ATOM 34 CD GLU A 26 -7.795 5.131 29.473 1.00 15.41 C ATOM 35 OE1 GLU A 26 -8.631 5.530 30.311 1.00 62.14 O ATOM 36 OE2 GLU A 26 -6.891 4.313 29.742 1.00 33.33 O ATOM 0 H GLU A 26 -8.297 9.778 26.971 1.00 44.52 H new ATOM 0 HA GLU A 26 -6.822 7.319 26.247 1.00 13.10 H new ATOM 0 HB2 GLU A 26 -7.383 7.626 28.761 1.00 54.11 H new ATOM 0 HB3 GLU A 26 -9.060 7.438 28.289 1.00 54.11 H new ATOM 0 HG2 GLU A 26 -8.725 5.204 27.547 1.00 41.30 H new ATOM 0 HG3 GLU A 26 -6.982 5.384 27.509 1.00 41.30 H new ATOM 43 N HIS A 27 -8.536 7.115 24.463 1.00 75.31 N ATOM 44 CA HIS A 27 -9.543 6.830 23.446 1.00 24.42 C ATOM 45 C HIS A 27 -9.057 5.742 22.492 1.00 50.20 C ATOM 46 O HIS A 27 -7.856 5.587 22.274 1.00 72.04 O ATOM 47 CB HIS A 27 -9.881 8.098 22.663 1.00 41.14 C ATOM 48 CG HIS A 27 -8.705 8.697 21.956 1.00 63.03 C ATOM 49 ND1 HIS A 27 -8.664 8.885 20.590 1.00 52.50 N ATOM 50 CD2 HIS A 27 -7.523 9.153 22.432 1.00 21.40 C ATOM 51 CE1 HIS A 27 -7.507 9.430 20.258 1.00 64.03 C ATOM 52 NE2 HIS A 27 -6.796 9.602 21.357 1.00 52.41 N ATOM 0 H HIS A 27 -7.574 6.971 24.156 1.00 75.31 H new ATOM 0 HA HIS A 27 -10.442 6.473 23.949 1.00 24.42 H new ATOM 0 HB2 HIS A 27 -10.655 7.868 21.931 1.00 41.14 H new ATOM 0 HB3 HIS A 27 -10.298 8.837 23.347 1.00 41.14 H new ATOM 0 HD2 HIS A 27 -7.210 9.162 23.466 1.00 21.40 H new ATOM 0 HE1 HIS A 27 -7.196 9.691 19.257 1.00 64.03 H new ATOM 0 HE2 HIS A 27 -5.859 10.003 21.401 1.00 52.41 H new ATOM 60 N GLN A 28 -9.998 4.994 21.926 1.00 15.43 N ATOM 61 CA GLN A 28 -9.666 3.922 20.996 1.00 23.42 C ATOM 62 C GLN A 28 -9.018 4.477 19.733 1.00 2.51 C ATOM 63 O GLN A 28 -9.706 4.873 18.791 1.00 33.31 O ATOM 64 CB GLN A 28 -10.920 3.125 20.632 1.00 14.33 C ATOM 65 CG GLN A 28 -10.872 1.675 21.082 1.00 25.32 C ATOM 66 CD GLN A 28 -12.243 1.029 21.119 1.00 2.12 C ATOM 67 OE1 GLN A 28 -12.914 1.028 22.152 1.00 55.24 O ATOM 68 NE2 GLN A 28 -12.667 0.474 19.989 1.00 32.11 N ATOM 0 H GLN A 28 -10.997 5.111 22.095 1.00 15.43 H new ATOM 0 HA GLN A 28 -8.953 3.259 21.487 1.00 23.42 H new ATOM 0 HB2 GLN A 28 -11.789 3.607 21.080 1.00 14.33 H new ATOM 0 HB3 GLN A 28 -11.059 3.157 19.551 1.00 14.33 H new ATOM 0 HG2 GLN A 28 -10.227 1.111 20.408 1.00 25.32 H new ATOM 0 HG3 GLN A 28 -10.422 1.621 22.073 1.00 25.32 H new ATOM 0 HE21 GLN A 28 -12.078 0.498 19.157 1.00 32.11 H new ATOM 0 HE22 GLN A 28 -13.582 0.024 19.954 1.00 32.11 H new ATOM 77 N LEU A 29 -7.690 4.506 19.719 1.00 3.31 N ATOM 78 CA LEU A 29 -6.947 5.015 18.570 1.00 74.33 C ATOM 79 C LEU A 29 -5.444 4.910 18.804 1.00 2.22 C ATOM 80 O LEU A 29 -4.854 5.737 19.498 1.00 44.44 O ATOM 81 CB LEU A 29 -7.332 6.470 18.293 1.00 74.43 C ATOM 82 CG LEU A 29 -7.569 6.833 16.826 1.00 21.21 C ATOM 83 CD1 LEU A 29 -8.835 6.168 16.309 1.00 43.01 C ATOM 84 CD2 LEU A 29 -7.651 8.343 16.658 1.00 63.11 C ATOM 0 H LEU A 29 -7.105 4.183 20.490 1.00 3.31 H new ATOM 0 HA LEU A 29 -7.204 4.406 17.703 1.00 74.33 H new ATOM 0 HB2 LEU A 29 -8.238 6.698 18.854 1.00 74.43 H new ATOM 0 HB3 LEU A 29 -6.544 7.114 18.683 1.00 74.43 H new ATOM 0 HG LEU A 29 -6.726 6.467 16.240 1.00 21.21 H new ATOM 0 HD11 LEU A 29 -8.987 6.438 15.264 1.00 43.01 H new ATOM 0 HD12 LEU A 29 -8.738 5.086 16.394 1.00 43.01 H new ATOM 0 HD13 LEU A 29 -9.689 6.503 16.898 1.00 43.01 H new ATOM 0 HD21 LEU A 29 -7.820 8.584 15.608 1.00 63.11 H new ATOM 0 HD22 LEU A 29 -8.475 8.731 17.256 1.00 63.11 H new ATOM 0 HD23 LEU A 29 -6.717 8.797 16.989 1.00 63.11 H new ATOM 96 N GLY A 30 -4.828 3.888 18.218 1.00 60.53 N ATOM 97 CA GLY A 30 -3.398 3.695 18.373 1.00 72.12 C ATOM 98 C GLY A 30 -2.703 3.429 17.052 1.00 20.52 C ATOM 99 O GLY A 30 -2.208 2.330 16.797 1.00 22.24 O ATOM 0 H GLY A 30 -5.294 3.190 17.638 1.00 60.53 H new ATOM 0 HA2 GLY A 30 -2.963 4.580 18.837 1.00 72.12 H new ATOM 0 HA3 GLY A 30 -3.218 2.859 19.049 1.00 72.12 H new ATOM 103 N PRO A 31 -2.660 4.450 16.184 1.00 13.12 N ATOM 104 CA PRO A 31 -2.024 4.344 14.867 1.00 13.15 C ATOM 105 C PRO A 31 -0.507 4.236 14.964 1.00 31.23 C ATOM 106 O PRO A 31 0.146 5.075 15.585 1.00 24.33 O ATOM 107 CB PRO A 31 -2.424 5.649 14.174 1.00 10.23 C ATOM 108 CG PRO A 31 -2.678 6.607 15.287 1.00 31.41 C ATOM 109 CD PRO A 31 -3.231 5.787 16.421 1.00 22.44 C ATOM 0 HA PRO A 31 -2.339 3.448 14.333 1.00 13.15 H new ATOM 0 HB2 PRO A 31 -1.632 6.007 13.517 1.00 10.23 H new ATOM 0 HB3 PRO A 31 -3.313 5.514 13.558 1.00 10.23 H new ATOM 0 HG2 PRO A 31 -1.759 7.113 15.583 1.00 31.41 H new ATOM 0 HG3 PRO A 31 -3.384 7.380 14.983 1.00 31.41 H new ATOM 0 HD2 PRO A 31 -2.931 6.186 17.390 1.00 22.44 H new ATOM 0 HD3 PRO A 31 -4.321 5.767 16.408 1.00 22.44 H new ATOM 117 N ILE A 32 0.048 3.198 14.347 1.00 31.23 N ATOM 118 CA ILE A 32 1.489 2.982 14.363 1.00 45.21 C ATOM 119 C ILE A 32 2.226 4.138 13.695 1.00 70.42 C ATOM 120 O ILE A 32 3.217 4.643 14.222 1.00 62.32 O ATOM 121 CB ILE A 32 1.869 1.667 13.655 1.00 3.55 C ATOM 122 CG1 ILE A 32 1.077 0.498 14.243 1.00 2.54 C ATOM 123 CG2 ILE A 32 3.364 1.415 13.775 1.00 25.01 C ATOM 124 CD1 ILE A 32 1.382 -0.830 13.587 1.00 4.20 C ATOM 0 H ILE A 32 -0.479 2.494 13.830 1.00 31.23 H new ATOM 0 HA ILE A 32 1.787 2.921 15.410 1.00 45.21 H new ATOM 0 HB ILE A 32 1.619 1.755 12.598 1.00 3.55 H new ATOM 0 HG12 ILE A 32 1.291 0.425 15.309 1.00 2.54 H new ATOM 0 HG13 ILE A 32 0.012 0.706 14.145 1.00 2.54 H new ATOM 0 HG21 ILE A 32 3.618 0.483 13.270 1.00 25.01 H new ATOM 0 HG22 ILE A 32 3.910 2.238 13.313 1.00 25.01 H new ATOM 0 HG23 ILE A 32 3.638 1.344 14.828 1.00 25.01 H new ATOM 0 HD11 ILE A 32 0.784 -1.613 14.055 1.00 4.20 H new ATOM 0 HD12 ILE A 32 1.141 -0.775 12.525 1.00 4.20 H new ATOM 0 HD13 ILE A 32 2.440 -1.061 13.708 1.00 4.20 H new ATOM 136 N ALA A 33 1.734 4.553 12.532 1.00 63.14 N ATOM 137 CA ALA A 33 2.343 5.651 11.794 1.00 42.53 C ATOM 138 C ALA A 33 1.296 6.429 11.003 1.00 71.24 C ATOM 139 O ALA A 33 0.152 5.994 10.874 1.00 4.35 O ATOM 140 CB ALA A 33 3.427 5.126 10.864 1.00 73.12 C ATOM 0 H ALA A 33 0.915 4.145 12.081 1.00 63.14 H new ATOM 0 HA ALA A 33 2.796 6.332 12.514 1.00 42.53 H new ATOM 0 HB1 ALA A 33 3.873 5.958 10.319 1.00 73.12 H new ATOM 0 HB2 ALA A 33 4.196 4.622 11.449 1.00 73.12 H new ATOM 0 HB3 ALA A 33 2.990 4.422 10.156 1.00 73.12 H new ATOM 146 N GLY A 34 1.695 7.582 10.473 1.00 24.21 N ATOM 147 CA GLY A 34 0.778 8.401 9.703 1.00 61.12 C ATOM 148 C GLY A 34 0.242 7.679 8.482 1.00 42.43 C ATOM 149 O GLY A 34 -0.932 7.812 8.140 1.00 13.14 O ATOM 0 H GLY A 34 2.637 7.963 10.564 1.00 24.21 H new ATOM 0 HA2 GLY A 34 -0.055 8.703 10.338 1.00 61.12 H new ATOM 0 HA3 GLY A 34 1.286 9.313 9.388 1.00 61.12 H new ATOM 153 N ALA A 35 1.106 6.914 7.823 1.00 43.35 N ATOM 154 CA ALA A 35 0.712 6.168 6.633 1.00 2.31 C ATOM 155 C ALA A 35 -0.401 5.177 6.950 1.00 74.45 C ATOM 156 O ALA A 35 -1.220 4.852 6.089 1.00 63.32 O ATOM 157 CB ALA A 35 1.913 5.445 6.042 1.00 44.44 C ATOM 0 H ALA A 35 2.083 6.794 8.092 1.00 43.35 H new ATOM 0 HA ALA A 35 0.332 6.878 5.899 1.00 2.31 H new ATOM 0 HB1 ALA A 35 1.605 4.892 5.155 1.00 44.44 H new ATOM 0 HB2 ALA A 35 2.677 6.172 5.769 1.00 44.44 H new ATOM 0 HB3 ALA A 35 2.319 4.751 6.778 1.00 44.44 H new ATOM 163 N ILE A 36 -0.426 4.699 8.189 1.00 1.33 N ATOM 164 CA ILE A 36 -1.440 3.744 8.619 1.00 14.24 C ATOM 165 C ILE A 36 -2.843 4.249 8.297 1.00 5.35 C ATOM 166 O ILE A 36 -3.756 3.463 8.044 1.00 64.23 O ATOM 167 CB ILE A 36 -1.344 3.462 10.131 1.00 42.24 C ATOM 168 CG1 ILE A 36 -1.727 2.011 10.426 1.00 31.23 C ATOM 169 CG2 ILE A 36 -2.235 4.420 10.907 1.00 75.34 C ATOM 170 CD1 ILE A 36 -0.970 1.410 11.590 1.00 33.03 C ATOM 0 H ILE A 36 0.244 4.957 8.913 1.00 1.33 H new ATOM 0 HA ILE A 36 -1.254 2.820 8.072 1.00 14.24 H new ATOM 0 HB ILE A 36 -0.313 3.618 10.450 1.00 42.24 H new ATOM 0 HG12 ILE A 36 -2.796 1.961 10.634 1.00 31.23 H new ATOM 0 HG13 ILE A 36 -1.547 1.408 9.536 1.00 31.23 H new ATOM 0 HG21 ILE A 36 -2.156 4.208 11.973 1.00 75.34 H new ATOM 0 HG22 ILE A 36 -1.919 5.446 10.717 1.00 75.34 H new ATOM 0 HG23 ILE A 36 -3.270 4.294 10.588 1.00 75.34 H new ATOM 0 HD11 ILE A 36 -1.293 0.380 11.741 1.00 33.03 H new ATOM 0 HD12 ILE A 36 0.099 1.428 11.377 1.00 33.03 H new ATOM 0 HD13 ILE A 36 -1.170 1.989 12.492 1.00 33.03 H new ATOM 182 N LYS A 37 -3.007 5.567 8.306 1.00 51.40 N ATOM 183 CA LYS A 37 -4.297 6.180 8.012 1.00 52.14 C ATOM 184 C LYS A 37 -4.742 5.854 6.589 1.00 13.51 C ATOM 185 O LYS A 37 -5.920 5.600 6.340 1.00 34.44 O ATOM 186 CB LYS A 37 -4.220 7.697 8.199 1.00 70.23 C ATOM 187 CG LYS A 37 -5.446 8.291 8.870 1.00 63.24 C ATOM 188 CD LYS A 37 -6.592 8.461 7.886 1.00 65.24 C ATOM 189 CE LYS A 37 -7.751 9.223 8.508 1.00 55.42 C ATOM 190 NZ LYS A 37 -8.757 8.307 9.115 1.00 43.40 N ATOM 0 H LYS A 37 -2.262 6.232 8.514 1.00 51.40 H new ATOM 0 HA LYS A 37 -5.031 5.772 8.707 1.00 52.14 H new ATOM 0 HB2 LYS A 37 -3.339 7.937 8.794 1.00 70.23 H new ATOM 0 HB3 LYS A 37 -4.085 8.168 7.225 1.00 70.23 H new ATOM 0 HG2 LYS A 37 -5.762 7.646 9.690 1.00 63.24 H new ATOM 0 HG3 LYS A 37 -5.192 9.258 9.305 1.00 63.24 H new ATOM 0 HD2 LYS A 37 -6.238 8.992 7.002 1.00 65.24 H new ATOM 0 HD3 LYS A 37 -6.936 7.482 7.553 1.00 65.24 H new ATOM 0 HE2 LYS A 37 -7.371 9.902 9.271 1.00 55.42 H new ATOM 0 HE3 LYS A 37 -8.232 9.837 7.747 1.00 55.42 H new ATOM 0 HZ1 LYS A 37 -9.531 8.866 9.528 1.00 43.40 H new ATOM 0 HZ2 LYS A 37 -9.139 7.676 8.382 1.00 43.40 H new ATOM 0 HZ3 LYS A 37 -8.305 7.739 9.859 1.00 43.40 H new ATOM 204 N SER A 38 -3.792 5.864 5.660 1.00 2.21 N ATOM 205 CA SER A 38 -4.087 5.572 4.262 1.00 1.11 C ATOM 206 C SER A 38 -4.553 4.129 4.095 1.00 14.35 C ATOM 207 O SER A 38 -5.518 3.854 3.381 1.00 42.42 O ATOM 208 CB SER A 38 -2.851 5.824 3.395 1.00 61.50 C ATOM 209 OG SER A 38 -2.049 6.857 3.939 1.00 3.30 O ATOM 0 H SER A 38 -2.811 6.071 5.850 1.00 2.21 H new ATOM 0 HA SER A 38 -4.890 6.235 3.940 1.00 1.11 H new ATOM 0 HB2 SER A 38 -2.265 4.908 3.316 1.00 61.50 H new ATOM 0 HB3 SER A 38 -3.160 6.093 2.385 1.00 61.50 H new ATOM 0 HG SER A 38 -2.101 7.649 3.364 1.00 3.30 H new ATOM 215 N LYS A 39 -3.862 3.210 4.760 1.00 45.12 N ATOM 216 CA LYS A 39 -4.203 1.794 4.688 1.00 15.24 C ATOM 217 C LYS A 39 -5.599 1.542 5.249 1.00 51.30 C ATOM 218 O LYS A 39 -6.346 0.711 4.733 1.00 44.11 O ATOM 219 CB LYS A 39 -3.175 0.960 5.457 1.00 54.45 C ATOM 220 CG LYS A 39 -3.678 0.462 6.800 1.00 35.32 C ATOM 221 CD LYS A 39 -2.595 -0.287 7.558 1.00 12.14 C ATOM 222 CE LYS A 39 -3.150 -0.955 8.806 1.00 33.44 C ATOM 223 NZ LYS A 39 -2.118 -1.083 9.873 1.00 41.32 N ATOM 0 H LYS A 39 -3.061 3.421 5.356 1.00 45.12 H new ATOM 0 HA LYS A 39 -4.192 1.496 3.639 1.00 15.24 H new ATOM 0 HB2 LYS A 39 -2.885 0.104 4.847 1.00 54.45 H new ATOM 0 HB3 LYS A 39 -2.278 1.559 5.614 1.00 54.45 H new ATOM 0 HG2 LYS A 39 -4.023 1.307 7.396 1.00 35.32 H new ATOM 0 HG3 LYS A 39 -4.536 -0.193 6.648 1.00 35.32 H new ATOM 0 HD2 LYS A 39 -2.149 -1.040 6.908 1.00 12.14 H new ATOM 0 HD3 LYS A 39 -1.800 0.404 7.837 1.00 12.14 H new ATOM 0 HE2 LYS A 39 -3.993 -0.376 9.184 1.00 33.44 H new ATOM 0 HE3 LYS A 39 -3.532 -1.943 8.550 1.00 33.44 H new ATOM 0 HZ1 LYS A 39 -1.873 -2.086 10.000 1.00 41.32 H new ATOM 0 HZ2 LYS A 39 -1.268 -0.551 9.599 1.00 41.32 H new ATOM 0 HZ3 LYS A 39 -2.492 -0.702 10.765 1.00 41.32 H new ATOM 237 N VAL A 40 -5.946 2.267 6.308 1.00 22.30 N ATOM 238 CA VAL A 40 -7.254 2.124 6.936 1.00 1.13 C ATOM 239 C VAL A 40 -8.371 2.512 5.975 1.00 52.20 C ATOM 240 O VAL A 40 -9.451 1.923 5.994 1.00 61.32 O ATOM 241 CB VAL A 40 -7.362 2.986 8.208 1.00 12.33 C ATOM 242 CG1 VAL A 40 -8.802 3.039 8.696 1.00 13.33 C ATOM 243 CG2 VAL A 40 -6.441 2.452 9.295 1.00 61.15 C ATOM 0 H VAL A 40 -5.340 2.959 6.749 1.00 22.30 H new ATOM 0 HA VAL A 40 -7.362 1.074 7.207 1.00 1.13 H new ATOM 0 HB VAL A 40 -7.048 4.001 7.965 1.00 12.33 H new ATOM 0 HG11 VAL A 40 -8.859 3.652 9.595 1.00 13.33 H new ATOM 0 HG12 VAL A 40 -9.433 3.473 7.920 1.00 13.33 H new ATOM 0 HG13 VAL A 40 -9.147 2.030 8.922 1.00 13.33 H new ATOM 0 HG21 VAL A 40 -6.531 3.074 10.186 1.00 61.15 H new ATOM 0 HG22 VAL A 40 -6.721 1.427 9.538 1.00 61.15 H new ATOM 0 HG23 VAL A 40 -5.410 2.472 8.941 1.00 61.15 H new ATOM 253 N GLU A 41 -8.104 3.508 5.136 1.00 1.42 N ATOM 254 CA GLU A 41 -9.089 3.975 4.167 1.00 42.40 C ATOM 255 C GLU A 41 -9.465 2.861 3.194 1.00 33.11 C ATOM 256 O GLU A 41 -10.570 2.843 2.654 1.00 61.34 O ATOM 257 CB GLU A 41 -8.545 5.179 3.396 1.00 53.22 C ATOM 258 CG GLU A 41 -9.175 5.358 2.024 1.00 72.40 C ATOM 259 CD GLU A 41 -10.672 5.583 2.094 1.00 50.42 C ATOM 260 OE1 GLU A 41 -11.185 5.820 3.208 1.00 0.34 O ATOM 261 OE2 GLU A 41 -11.332 5.524 1.035 1.00 21.51 O ATOM 0 H GLU A 41 -7.215 4.007 5.108 1.00 1.42 H new ATOM 0 HA GLU A 41 -9.984 4.275 4.712 1.00 42.40 H new ATOM 0 HB2 GLU A 41 -8.712 6.082 3.984 1.00 53.22 H new ATOM 0 HB3 GLU A 41 -7.467 5.069 3.280 1.00 53.22 H new ATOM 0 HG2 GLU A 41 -8.707 6.205 1.521 1.00 72.40 H new ATOM 0 HG3 GLU A 41 -8.972 4.475 1.417 1.00 72.40 H new ATOM 268 N ALA A 42 -8.537 1.936 2.977 1.00 63.42 N ATOM 269 CA ALA A 42 -8.771 0.818 2.071 1.00 33.21 C ATOM 270 C ALA A 42 -9.342 -0.384 2.817 1.00 11.31 C ATOM 271 O ALA A 42 -9.935 -1.277 2.212 1.00 34.33 O ATOM 272 CB ALA A 42 -7.481 0.435 1.360 1.00 20.01 C ATOM 0 H ALA A 42 -7.616 1.938 3.416 1.00 63.42 H new ATOM 0 HA ALA A 42 -9.503 1.133 1.328 1.00 33.21 H new ATOM 0 HB1 ALA A 42 -7.671 -0.401 0.687 1.00 20.01 H new ATOM 0 HB2 ALA A 42 -7.115 1.287 0.787 1.00 20.01 H new ATOM 0 HB3 ALA A 42 -6.732 0.145 2.097 1.00 20.01 H new ATOM 278 N ALA A 43 -9.157 -0.399 4.133 1.00 35.11 N ATOM 279 CA ALA A 43 -9.656 -1.490 4.962 1.00 75.22 C ATOM 280 C ALA A 43 -11.169 -1.634 4.828 1.00 24.24 C ATOM 281 O ALA A 43 -11.696 -2.747 4.795 1.00 41.24 O ATOM 282 CB ALA A 43 -9.271 -1.266 6.417 1.00 75.14 C ATOM 0 H ALA A 43 -8.666 0.332 4.648 1.00 35.11 H new ATOM 0 HA ALA A 43 -9.198 -2.416 4.615 1.00 75.22 H new ATOM 0 HB1 ALA A 43 -9.650 -2.088 7.024 1.00 75.14 H new ATOM 0 HB2 ALA A 43 -8.185 -1.222 6.503 1.00 75.14 H new ATOM 0 HB3 ALA A 43 -9.702 -0.328 6.767 1.00 75.14 H new ATOM 288 N LEU A 44 -11.861 -0.504 4.753 1.00 53.33 N ATOM 289 CA LEU A 44 -13.315 -0.504 4.624 1.00 42.32 C ATOM 290 C LEU A 44 -13.749 -1.258 3.372 1.00 55.32 C ATOM 291 O LEU A 44 -14.758 -1.964 3.379 1.00 33.33 O ATOM 292 CB LEU A 44 -13.842 0.932 4.578 1.00 71.54 C ATOM 293 CG LEU A 44 -14.128 1.584 5.931 1.00 55.14 C ATOM 294 CD1 LEU A 44 -12.969 1.359 6.889 1.00 62.03 C ATOM 295 CD2 LEU A 44 -14.400 3.071 5.758 1.00 2.11 C ATOM 0 H LEU A 44 -11.440 0.425 4.779 1.00 53.33 H new ATOM 0 HA LEU A 44 -13.734 -1.010 5.494 1.00 42.32 H new ATOM 0 HB2 LEU A 44 -13.116 1.548 4.046 1.00 71.54 H new ATOM 0 HB3 LEU A 44 -14.760 0.943 3.990 1.00 71.54 H new ATOM 0 HG LEU A 44 -15.017 1.119 6.356 1.00 55.14 H new ATOM 0 HD11 LEU A 44 -13.191 1.830 7.846 1.00 62.03 H new ATOM 0 HD12 LEU A 44 -12.822 0.289 7.037 1.00 62.03 H new ATOM 0 HD13 LEU A 44 -12.062 1.796 6.472 1.00 62.03 H new ATOM 0 HD21 LEU A 44 -14.602 3.520 6.731 1.00 2.11 H new ATOM 0 HD22 LEU A 44 -13.529 3.551 5.311 1.00 2.11 H new ATOM 0 HD23 LEU A 44 -15.264 3.210 5.108 1.00 2.11 H new ATOM 307 N SER A 45 -12.981 -1.105 2.297 1.00 21.43 N ATOM 308 CA SER A 45 -13.288 -1.771 1.037 1.00 43.23 C ATOM 309 C SER A 45 -12.903 -3.245 1.094 1.00 63.43 C ATOM 310 O SER A 45 -12.175 -3.690 1.982 1.00 50.12 O ATOM 311 CB SER A 45 -12.555 -1.085 -0.117 1.00 54.22 C ATOM 312 OG SER A 45 -13.459 -0.366 -0.940 1.00 71.12 O ATOM 0 H SER A 45 -12.142 -0.526 2.274 1.00 21.43 H new ATOM 0 HA SER A 45 -14.363 -1.701 0.869 1.00 43.23 H new ATOM 0 HB2 SER A 45 -11.801 -0.406 0.280 1.00 54.22 H new ATOM 0 HB3 SER A 45 -12.030 -1.831 -0.713 1.00 54.22 H new ATOM 0 HG SER A 45 -12.966 0.065 -1.669 1.00 71.12 H new ATOM 318 N PRO A 46 -13.403 -4.024 0.122 1.00 24.31 N ATOM 319 CA PRO A 46 -13.125 -5.461 0.038 1.00 63.11 C ATOM 320 C PRO A 46 -11.676 -5.750 -0.340 1.00 72.44 C ATOM 321 O PRO A 46 -11.380 -6.101 -1.483 1.00 74.44 O ATOM 322 CB PRO A 46 -14.072 -5.942 -1.065 1.00 12.35 C ATOM 323 CG PRO A 46 -14.315 -4.736 -1.906 1.00 70.30 C ATOM 324 CD PRO A 46 -14.277 -3.562 -0.969 1.00 21.20 C ATOM 0 HA PRO A 46 -13.274 -5.962 0.995 1.00 63.11 H new ATOM 0 HB2 PRO A 46 -13.625 -6.748 -1.647 1.00 12.35 H new ATOM 0 HB3 PRO A 46 -15.002 -6.328 -0.648 1.00 12.35 H new ATOM 0 HG2 PRO A 46 -13.554 -4.641 -2.681 1.00 70.30 H new ATOM 0 HG3 PRO A 46 -15.279 -4.801 -2.411 1.00 70.30 H new ATOM 0 HD2 PRO A 46 -13.876 -2.673 -1.455 1.00 21.20 H new ATOM 0 HD3 PRO A 46 -15.272 -3.306 -0.605 1.00 21.20 H new ATOM 332 N THR A 47 -10.776 -5.601 0.626 1.00 44.33 N ATOM 333 CA THR A 47 -9.357 -5.845 0.393 1.00 15.15 C ATOM 334 C THR A 47 -8.582 -5.869 1.705 1.00 12.21 C ATOM 335 O THR A 47 -9.145 -5.637 2.775 1.00 21.25 O ATOM 336 CB THR A 47 -8.748 -4.776 -0.532 1.00 1.34 C ATOM 337 OG1 THR A 47 -7.378 -5.090 -0.807 1.00 12.32 O ATOM 338 CG2 THR A 47 -8.839 -3.396 0.103 1.00 2.41 C ATOM 0 H THR A 47 -11.004 -5.313 1.577 1.00 44.33 H new ATOM 0 HA THR A 47 -9.278 -6.819 -0.090 1.00 15.15 H new ATOM 0 HB THR A 47 -9.313 -4.768 -1.464 1.00 1.34 H new ATOM 0 HG1 THR A 47 -7.293 -6.049 -0.990 1.00 12.32 H new ATOM 0 HG21 THR A 47 -8.402 -2.657 -0.569 1.00 2.41 H new ATOM 0 HG22 THR A 47 -9.885 -3.148 0.286 1.00 2.41 H new ATOM 0 HG23 THR A 47 -8.295 -3.394 1.048 1.00 2.41 H new ATOM 346 N HIS A 48 -7.286 -6.150 1.615 1.00 24.35 N ATOM 347 CA HIS A 48 -6.431 -6.203 2.797 1.00 35.41 C ATOM 348 C HIS A 48 -5.182 -5.349 2.602 1.00 21.11 C ATOM 349 O HIS A 48 -4.444 -5.523 1.633 1.00 63.45 O ATOM 350 CB HIS A 48 -6.034 -7.648 3.100 1.00 1.52 C ATOM 351 CG HIS A 48 -5.010 -7.772 4.187 1.00 2.20 C ATOM 352 ND1 HIS A 48 -3.848 -8.500 4.046 1.00 25.40 N ATOM 353 CD2 HIS A 48 -4.978 -7.252 5.436 1.00 22.31 C ATOM 354 CE1 HIS A 48 -3.146 -8.426 5.162 1.00 32.43 C ATOM 355 NE2 HIS A 48 -3.810 -7.673 6.023 1.00 65.23 N ATOM 0 H HIS A 48 -6.805 -6.344 0.737 1.00 24.35 H new ATOM 0 HA HIS A 48 -6.994 -5.804 3.641 1.00 35.41 H new ATOM 0 HB2 HIS A 48 -6.924 -8.209 3.385 1.00 1.52 H new ATOM 0 HB3 HIS A 48 -5.645 -8.108 2.191 1.00 1.52 H new ATOM 0 HD2 HIS A 48 -5.731 -6.623 5.887 1.00 22.31 H new ATOM 0 HE1 HIS A 48 -2.192 -8.900 5.341 1.00 32.43 H new ATOM 0 HE2 HIS A 48 -3.505 -7.443 6.969 1.00 65.23 H new ATOM 363 N PHE A 49 -4.952 -4.426 3.530 1.00 2.20 N ATOM 364 CA PHE A 49 -3.793 -3.544 3.459 1.00 14.14 C ATOM 365 C PHE A 49 -2.878 -3.752 4.662 1.00 44.21 C ATOM 366 O PHE A 49 -3.286 -3.564 5.808 1.00 1.33 O ATOM 367 CB PHE A 49 -4.242 -2.083 3.392 1.00 0.34 C ATOM 368 CG PHE A 49 -4.594 -1.626 2.006 1.00 65.32 C ATOM 369 CD1 PHE A 49 -5.531 -2.316 1.252 1.00 5.31 C ATOM 370 CD2 PHE A 49 -3.988 -0.508 1.455 1.00 14.31 C ATOM 371 CE1 PHE A 49 -5.856 -1.898 -0.025 1.00 32.43 C ATOM 372 CE2 PHE A 49 -4.310 -0.086 0.178 1.00 23.22 C ATOM 373 CZ PHE A 49 -5.246 -0.782 -0.561 1.00 71.12 C ATOM 0 H PHE A 49 -5.552 -4.269 4.340 1.00 2.20 H new ATOM 0 HA PHE A 49 -3.236 -3.788 2.554 1.00 14.14 H new ATOM 0 HB2 PHE A 49 -5.107 -1.947 4.041 1.00 0.34 H new ATOM 0 HB3 PHE A 49 -3.447 -1.449 3.784 1.00 0.34 H new ATOM 0 HD1 PHE A 49 -6.012 -3.189 1.667 1.00 5.31 H new ATOM 0 HD2 PHE A 49 -3.256 0.040 2.030 1.00 14.31 H new ATOM 0 HE1 PHE A 49 -6.587 -2.444 -0.603 1.00 32.43 H new ATOM 0 HE2 PHE A 49 -3.830 0.786 -0.241 1.00 23.22 H new ATOM 0 HZ PHE A 49 -5.501 -0.453 -1.558 1.00 71.12 H new ATOM 383 N LYS A 50 -1.637 -4.141 4.393 1.00 23.51 N ATOM 384 CA LYS A 50 -0.660 -4.375 5.451 1.00 72.11 C ATOM 385 C LYS A 50 0.435 -3.315 5.423 1.00 23.14 C ATOM 386 O LYS A 50 1.206 -3.228 4.467 1.00 54.45 O ATOM 387 CB LYS A 50 -0.042 -5.767 5.303 1.00 2.03 C ATOM 388 CG LYS A 50 0.877 -6.149 6.451 1.00 22.11 C ATOM 389 CD LYS A 50 2.156 -6.798 5.950 1.00 33.40 C ATOM 390 CE LYS A 50 2.844 -7.596 7.047 1.00 32.40 C ATOM 391 NZ LYS A 50 3.859 -8.536 6.496 1.00 13.20 N ATOM 0 H LYS A 50 -1.283 -4.301 3.450 1.00 23.51 H new ATOM 0 HA LYS A 50 -1.176 -4.314 6.409 1.00 72.11 H new ATOM 0 HB2 LYS A 50 -0.841 -6.504 5.228 1.00 2.03 H new ATOM 0 HB3 LYS A 50 0.519 -5.809 4.370 1.00 2.03 H new ATOM 0 HG2 LYS A 50 1.123 -5.260 7.033 1.00 22.11 H new ATOM 0 HG3 LYS A 50 0.358 -6.835 7.121 1.00 22.11 H new ATOM 0 HD2 LYS A 50 1.927 -7.454 5.110 1.00 33.40 H new ATOM 0 HD3 LYS A 50 2.834 -6.029 5.578 1.00 33.40 H new ATOM 0 HE2 LYS A 50 3.324 -6.912 7.747 1.00 32.40 H new ATOM 0 HE3 LYS A 50 2.098 -8.156 7.611 1.00 32.40 H new ATOM 0 HZ1 LYS A 50 4.305 -9.061 7.275 1.00 13.20 H new ATOM 0 HZ2 LYS A 50 3.397 -9.205 5.848 1.00 13.20 H new ATOM 0 HZ3 LYS A 50 4.585 -7.999 5.980 1.00 13.20 H new ATOM 405 N LEU A 51 0.500 -2.511 6.480 1.00 24.21 N ATOM 406 CA LEU A 51 1.504 -1.457 6.578 1.00 73.25 C ATOM 407 C LEU A 51 2.268 -1.553 7.895 1.00 72.10 C ATOM 408 O LEU A 51 1.682 -1.441 8.973 1.00 72.44 O ATOM 409 CB LEU A 51 0.842 -0.083 6.459 1.00 74.14 C ATOM 410 CG LEU A 51 1.673 1.106 6.939 1.00 52.41 C ATOM 411 CD1 LEU A 51 1.380 2.338 6.096 1.00 51.25 C ATOM 412 CD2 LEU A 51 1.401 1.388 8.409 1.00 1.13 C ATOM 0 H LEU A 51 -0.130 -2.569 7.280 1.00 24.21 H new ATOM 0 HA LEU A 51 2.211 -1.586 5.759 1.00 73.25 H new ATOM 0 HB2 LEU A 51 0.578 0.082 5.414 1.00 74.14 H new ATOM 0 HB3 LEU A 51 -0.090 -0.101 7.024 1.00 74.14 H new ATOM 0 HG LEU A 51 2.728 0.856 6.826 1.00 52.41 H new ATOM 0 HD11 LEU A 51 1.981 3.174 6.453 1.00 51.25 H new ATOM 0 HD12 LEU A 51 1.626 2.133 5.054 1.00 51.25 H new ATOM 0 HD13 LEU A 51 0.323 2.591 6.176 1.00 51.25 H new ATOM 0 HD21 LEU A 51 2.001 2.238 8.734 1.00 1.13 H new ATOM 0 HD22 LEU A 51 0.344 1.617 8.546 1.00 1.13 H new ATOM 0 HD23 LEU A 51 1.662 0.512 9.002 1.00 1.13 H new ATOM 424 N ILE A 52 3.577 -1.759 7.800 1.00 2.44 N ATOM 425 CA ILE A 52 4.420 -1.866 8.983 1.00 1.11 C ATOM 426 C ILE A 52 5.642 -0.960 8.872 1.00 44.21 C ATOM 427 O ILE A 52 6.519 -1.183 8.040 1.00 60.34 O ATOM 428 CB ILE A 52 4.889 -3.315 9.211 1.00 45.11 C ATOM 429 CG1 ILE A 52 5.593 -3.849 7.961 1.00 4.53 C ATOM 430 CG2 ILE A 52 3.709 -4.202 9.580 1.00 21.02 C ATOM 431 CD1 ILE A 52 7.089 -4.000 8.129 1.00 23.44 C ATOM 0 H ILE A 52 4.076 -1.855 6.916 1.00 2.44 H new ATOM 0 HA ILE A 52 3.813 -1.551 9.832 1.00 1.11 H new ATOM 0 HB ILE A 52 5.599 -3.325 10.038 1.00 45.11 H new ATOM 0 HG12 ILE A 52 5.165 -4.817 7.698 1.00 4.53 H new ATOM 0 HG13 ILE A 52 5.395 -3.176 7.127 1.00 4.53 H new ATOM 0 HG21 ILE A 52 4.057 -5.223 9.738 1.00 21.02 H new ATOM 0 HG22 ILE A 52 3.247 -3.831 10.494 1.00 21.02 H new ATOM 0 HG23 ILE A 52 2.977 -4.189 8.772 1.00 21.02 H new ATOM 0 HD11 ILE A 52 7.522 -4.383 7.205 1.00 23.44 H new ATOM 0 HD12 ILE A 52 7.529 -3.030 8.362 1.00 23.44 H new ATOM 0 HD13 ILE A 52 7.295 -4.696 8.942 1.00 23.44 H new ATOM 443 N ASN A 53 5.691 0.063 9.719 1.00 5.52 N ATOM 444 CA ASN A 53 6.807 1.003 9.716 1.00 3.40 C ATOM 445 C ASN A 53 7.569 0.947 11.037 1.00 73.11 C ATOM 446 O ASN A 53 6.990 1.130 12.108 1.00 20.21 O ATOM 447 CB ASN A 53 6.302 2.426 9.467 1.00 32.31 C ATOM 448 CG ASN A 53 4.794 2.532 9.582 1.00 34.23 C ATOM 449 OD1 ASN A 53 4.208 2.141 10.593 1.00 42.41 O ATOM 450 ND2 ASN A 53 4.157 3.063 8.545 1.00 74.30 N ATOM 0 H ASN A 53 4.973 0.262 10.415 1.00 5.52 H new ATOM 0 HA ASN A 53 7.486 0.719 8.912 1.00 3.40 H new ATOM 0 HB2 ASN A 53 6.767 3.104 10.183 1.00 32.31 H new ATOM 0 HB3 ASN A 53 6.612 2.750 8.473 1.00 32.31 H new ATOM 0 HD21 ASN A 53 3.142 3.160 8.565 1.00 74.30 H new ATOM 0 HD22 ASN A 53 4.683 3.374 7.728 1.00 74.30 H new ATOM 457 N ASP A 54 8.870 0.692 10.951 1.00 13.35 N ATOM 458 CA ASP A 54 9.713 0.613 12.140 1.00 50.42 C ATOM 459 C ASP A 54 10.007 2.005 12.691 1.00 35.02 C ATOM 460 O ASP A 54 9.526 2.373 13.762 1.00 14.33 O ATOM 461 CB ASP A 54 11.023 -0.108 11.814 1.00 12.12 C ATOM 462 CG ASP A 54 11.650 -0.748 13.038 1.00 52.31 C ATOM 463 OD1 ASP A 54 10.979 -0.801 14.090 1.00 53.32 O ATOM 464 OD2 ASP A 54 12.812 -1.196 12.942 1.00 53.42 O ATOM 0 H ASP A 54 9.364 0.537 10.072 1.00 13.35 H new ATOM 0 HA ASP A 54 9.175 0.047 12.901 1.00 50.42 H new ATOM 0 HB2 ASP A 54 10.835 -0.875 11.062 1.00 12.12 H new ATOM 0 HB3 ASP A 54 11.726 0.601 11.378 1.00 12.12 H new ATOM 469 N SER A 55 10.801 2.773 11.952 1.00 21.11 N ATOM 470 CA SER A 55 11.163 4.123 12.370 1.00 65.23 C ATOM 471 C SER A 55 11.926 4.095 13.690 1.00 14.53 C ATOM 472 O SER A 55 12.007 3.061 14.353 1.00 3.32 O ATOM 473 CB SER A 55 9.911 4.990 12.509 1.00 72.05 C ATOM 474 OG SER A 55 10.252 6.338 12.782 1.00 71.34 O ATOM 0 H SER A 55 11.206 2.484 11.061 1.00 21.11 H new ATOM 0 HA SER A 55 11.810 4.553 11.605 1.00 65.23 H new ATOM 0 HB2 SER A 55 9.325 4.938 11.591 1.00 72.05 H new ATOM 0 HB3 SER A 55 9.283 4.601 13.310 1.00 72.05 H new ATOM 0 HG SER A 55 9.444 6.838 13.022 1.00 71.34 H new ATOM 480 N HIS A 56 12.483 5.242 14.068 1.00 62.02 N ATOM 481 CA HIS A 56 13.240 5.352 15.311 1.00 55.44 C ATOM 482 C HIS A 56 12.406 4.880 16.498 1.00 33.21 C ATOM 483 O HIS A 56 12.941 4.373 17.484 1.00 74.42 O ATOM 484 CB HIS A 56 13.691 6.796 15.531 1.00 10.13 C ATOM 485 CG HIS A 56 14.371 7.016 16.847 1.00 3.30 C ATOM 486 ND1 HIS A 56 15.303 6.142 17.368 1.00 73.23 N ATOM 487 CD2 HIS A 56 14.254 8.019 17.749 1.00 41.02 C ATOM 488 CE1 HIS A 56 15.727 6.598 18.534 1.00 72.34 C ATOM 489 NE2 HIS A 56 15.106 7.736 18.788 1.00 72.42 N ATOM 0 H HIS A 56 12.424 6.108 13.532 1.00 62.02 H new ATOM 0 HA HIS A 56 14.119 4.713 15.231 1.00 55.44 H new ATOM 0 HB2 HIS A 56 14.370 7.082 14.728 1.00 10.13 H new ATOM 0 HB3 HIS A 56 12.824 7.453 15.465 1.00 10.13 H new ATOM 0 HD2 HIS A 56 13.610 8.882 17.667 1.00 41.02 H new ATOM 0 HE1 HIS A 56 16.457 6.121 19.171 1.00 72.34 H new ATOM 0 HE2 HIS A 56 15.238 8.311 19.620 1.00 72.42 H new ATOM 497 N LYS A 57 11.092 5.049 16.397 1.00 54.30 N ATOM 498 CA LYS A 57 10.182 4.641 17.460 1.00 23.55 C ATOM 499 C LYS A 57 10.524 5.346 18.769 1.00 61.14 C ATOM 500 O LYS A 57 11.451 6.155 18.827 1.00 71.43 O ATOM 501 CB LYS A 57 10.243 3.124 17.655 1.00 34.05 C ATOM 502 CG LYS A 57 9.404 2.349 16.654 1.00 20.53 C ATOM 503 CD LYS A 57 8.560 1.285 17.338 1.00 45.01 C ATOM 504 CE LYS A 57 7.727 0.503 16.334 1.00 3.33 C ATOM 505 NZ LYS A 57 6.295 0.911 16.366 1.00 62.35 N ATOM 0 H LYS A 57 10.633 5.467 15.588 1.00 54.30 H new ATOM 0 HA LYS A 57 9.171 4.924 17.168 1.00 23.55 H new ATOM 0 HB2 LYS A 57 11.280 2.797 17.578 1.00 34.05 H new ATOM 0 HB3 LYS A 57 9.907 2.882 18.663 1.00 34.05 H new ATOM 0 HG2 LYS A 57 8.755 3.037 16.112 1.00 20.53 H new ATOM 0 HG3 LYS A 57 10.056 1.879 15.918 1.00 20.53 H new ATOM 0 HD2 LYS A 57 9.209 0.601 17.885 1.00 45.01 H new ATOM 0 HD3 LYS A 57 7.903 1.755 18.070 1.00 45.01 H new ATOM 0 HE2 LYS A 57 8.127 0.657 15.332 1.00 3.33 H new ATOM 0 HE3 LYS A 57 7.806 -0.563 16.548 1.00 3.33 H new ATOM 0 HZ1 LYS A 57 5.760 0.356 15.668 1.00 62.35 H new ATOM 0 HZ2 LYS A 57 5.906 0.740 17.315 1.00 62.35 H new ATOM 0 HZ3 LYS A 57 6.217 1.922 16.137 1.00 62.35 H new ATOM 519 N HIS A 58 9.772 5.033 19.820 1.00 40.15 N ATOM 520 CA HIS A 58 9.997 5.636 21.128 1.00 63.30 C ATOM 521 C HIS A 58 10.292 4.566 22.175 1.00 13.13 C ATOM 522 O HIS A 58 9.493 3.653 22.386 1.00 12.32 O ATOM 523 CB HIS A 58 8.779 6.459 21.551 1.00 32.10 C ATOM 524 CG HIS A 58 8.804 7.868 21.046 1.00 1.02 C ATOM 525 ND1 HIS A 58 7.679 8.526 20.594 1.00 24.11 N ATOM 526 CD2 HIS A 58 9.826 8.748 20.925 1.00 70.45 C ATOM 527 CE1 HIS A 58 8.009 9.749 20.216 1.00 65.53 C ATOM 528 NE2 HIS A 58 9.307 9.908 20.407 1.00 75.55 N ATOM 0 H HIS A 58 9.002 4.365 19.791 1.00 40.15 H new ATOM 0 HA HIS A 58 10.862 6.295 21.053 1.00 63.30 H new ATOM 0 HB2 HIS A 58 7.876 5.968 21.189 1.00 32.10 H new ATOM 0 HB3 HIS A 58 8.720 6.473 22.639 1.00 32.10 H new ATOM 0 HD2 HIS A 58 10.858 8.570 21.188 1.00 70.45 H new ATOM 0 HE1 HIS A 58 7.333 10.492 19.819 1.00 65.53 H new ATOM 0 HE2 HIS A 58 9.837 10.755 20.203 1.00 75.55 H new ATOM 536 N ALA A 59 11.442 4.685 22.828 1.00 5.41 N ATOM 537 CA ALA A 59 11.841 3.729 23.853 1.00 4.23 C ATOM 538 C ALA A 59 12.258 4.442 25.136 1.00 61.21 C ATOM 539 O ALA A 59 12.057 5.647 25.282 1.00 14.22 O ATOM 540 CB ALA A 59 12.975 2.851 23.344 1.00 32.32 C ATOM 0 H ALA A 59 12.115 5.434 22.666 1.00 5.41 H new ATOM 0 HA ALA A 59 10.981 3.098 24.080 1.00 4.23 H new ATOM 0 HB1 ALA A 59 13.263 2.142 24.120 1.00 32.32 H new ATOM 0 HB2 ALA A 59 12.645 2.307 22.459 1.00 32.32 H new ATOM 0 HB3 ALA A 59 13.831 3.475 23.087 1.00 32.32 H new ATOM 546 N GLY A 60 12.841 3.689 26.064 1.00 1.10 N ATOM 547 CA GLY A 60 13.276 4.266 27.322 1.00 33.35 C ATOM 548 C GLY A 60 14.046 3.279 28.178 1.00 51.44 C ATOM 549 O GLY A 60 13.676 3.018 29.322 1.00 13.00 O ATOM 0 H GLY A 60 13.020 2.690 25.967 1.00 1.10 H new ATOM 0 HA2 GLY A 60 13.903 5.135 27.122 1.00 33.35 H new ATOM 0 HA3 GLY A 60 12.406 4.621 27.875 1.00 33.35 H new ATOM 553 N HIS A 61 15.121 2.729 27.620 1.00 35.23 N ATOM 554 CA HIS A 61 15.944 1.764 28.339 1.00 24.35 C ATOM 555 C HIS A 61 17.406 1.879 27.921 1.00 22.13 C ATOM 556 O HIS A 61 18.102 0.873 27.775 1.00 33.04 O ATOM 557 CB HIS A 61 15.440 0.343 28.088 1.00 35.33 C ATOM 558 CG HIS A 61 15.377 -0.022 26.637 1.00 52.10 C ATOM 559 ND1 HIS A 61 16.454 -0.530 25.941 1.00 50.25 N ATOM 560 CD2 HIS A 61 14.357 0.047 25.750 1.00 51.22 C ATOM 561 CE1 HIS A 61 16.099 -0.754 24.688 1.00 64.11 C ATOM 562 NE2 HIS A 61 14.832 -0.413 24.546 1.00 11.32 N ATOM 0 H HIS A 61 15.441 2.935 26.674 1.00 35.23 H new ATOM 0 HA HIS A 61 15.870 1.984 29.404 1.00 24.35 H new ATOM 0 HB2 HIS A 61 16.093 -0.362 28.604 1.00 35.33 H new ATOM 0 HB3 HIS A 61 14.447 0.236 28.525 1.00 35.33 H new ATOM 0 HD1 HIS A 61 17.380 -0.705 26.332 1.00 50.25 H new ATOM 0 HD2 HIS A 61 13.356 0.398 25.951 1.00 51.22 H new ATOM 0 HE1 HIS A 61 16.737 -1.149 23.912 1.00 64.11 H new ATOM 570 N TYR A 62 17.866 3.110 27.727 1.00 25.13 N ATOM 571 CA TYR A 62 19.245 3.356 27.322 1.00 40.14 C ATOM 572 C TYR A 62 19.525 2.752 25.950 1.00 43.54 C ATOM 573 O TYR A 62 19.808 1.560 25.830 1.00 51.13 O ATOM 574 CB TYR A 62 20.213 2.777 28.355 1.00 40.24 C ATOM 575 CG TYR A 62 21.051 3.824 29.053 1.00 12.52 C ATOM 576 CD1 TYR A 62 22.059 4.500 28.378 1.00 11.31 C ATOM 577 CD2 TYR A 62 20.832 4.137 30.389 1.00 45.20 C ATOM 578 CE1 TYR A 62 22.827 5.457 29.013 1.00 1.11 C ATOM 579 CE2 TYR A 62 21.595 5.094 31.033 1.00 71.44 C ATOM 580 CZ TYR A 62 22.591 5.751 30.340 1.00 71.32 C ATOM 581 OH TYR A 62 23.352 6.704 30.976 1.00 22.21 O ATOM 0 H TYR A 62 17.304 3.953 27.844 1.00 25.13 H new ATOM 0 HA TYR A 62 19.393 4.434 27.261 1.00 40.14 H new ATOM 0 HB2 TYR A 62 19.645 2.221 29.101 1.00 40.24 H new ATOM 0 HB3 TYR A 62 20.874 2.064 27.862 1.00 40.24 H new ATOM 0 HD1 TYR A 62 22.246 4.274 27.339 1.00 11.31 H new ATOM 0 HD2 TYR A 62 20.053 3.624 30.934 1.00 45.20 H new ATOM 0 HE1 TYR A 62 23.608 5.972 28.473 1.00 1.11 H new ATOM 0 HE2 TYR A 62 21.412 5.326 32.072 1.00 71.44 H new ATOM 0 HH TYR A 62 23.057 6.791 31.906 1.00 22.21 H new ATOM 591 N ALA A 63 19.445 3.584 24.916 1.00 34.05 N ATOM 592 CA ALA A 63 19.692 3.134 23.552 1.00 21.02 C ATOM 593 C ALA A 63 20.359 4.228 22.725 1.00 1.03 C ATOM 594 O ALA A 63 19.685 5.083 22.151 1.00 12.01 O ATOM 595 CB ALA A 63 18.392 2.694 22.897 1.00 13.15 C ATOM 0 H ALA A 63 19.211 4.573 24.998 1.00 34.05 H new ATOM 0 HA ALA A 63 20.371 2.282 23.595 1.00 21.02 H new ATOM 0 HB1 ALA A 63 18.592 2.361 21.879 1.00 13.15 H new ATOM 0 HB2 ALA A 63 17.956 1.874 23.468 1.00 13.15 H new ATOM 0 HB3 ALA A 63 17.695 3.531 22.874 1.00 13.15 H new ATOM 601 N ARG A 64 21.687 4.196 22.671 1.00 71.23 N ATOM 602 CA ARG A 64 22.444 5.187 21.915 1.00 41.12 C ATOM 603 C ARG A 64 23.788 4.619 21.469 1.00 54.34 C ATOM 604 O ARG A 64 24.825 4.912 22.062 1.00 24.22 O ATOM 605 CB ARG A 64 22.664 6.443 22.760 1.00 24.11 C ATOM 606 CG ARG A 64 23.288 7.595 21.987 1.00 60.50 C ATOM 607 CD ARG A 64 24.637 7.989 22.568 1.00 14.41 C ATOM 608 NE ARG A 64 24.510 8.576 23.900 1.00 71.44 N ATOM 609 CZ ARG A 64 25.507 9.180 24.535 1.00 61.53 C ATOM 610 NH1 ARG A 64 26.700 9.277 23.963 1.00 60.33 N ATOM 611 NH2 ARG A 64 25.314 9.688 25.745 1.00 53.14 N ATOM 0 H ARG A 64 22.260 3.495 23.141 1.00 71.23 H new ATOM 0 HA ARG A 64 21.868 5.450 21.028 1.00 41.12 H new ATOM 0 HB2 ARG A 64 21.707 6.767 23.170 1.00 24.11 H new ATOM 0 HB3 ARG A 64 23.305 6.194 23.606 1.00 24.11 H new ATOM 0 HG2 ARG A 64 23.410 7.310 20.942 1.00 60.50 H new ATOM 0 HG3 ARG A 64 22.617 8.454 22.007 1.00 60.50 H new ATOM 0 HD2 ARG A 64 25.280 7.110 22.619 1.00 14.41 H new ATOM 0 HD3 ARG A 64 25.124 8.702 21.903 1.00 14.41 H new ATOM 0 HE ARG A 64 23.605 8.518 24.368 1.00 71.44 H new ATOM 0 HH11 ARG A 64 26.853 8.887 23.033 1.00 60.33 H new ATOM 0 HH12 ARG A 64 27.464 9.742 24.453 1.00 60.33 H new ATOM 0 HH21 ARG A 64 24.399 9.615 26.189 1.00 53.14 H new ATOM 0 HH22 ARG A 64 26.081 10.152 26.232 1.00 53.14 H new ATOM 625 N ASP A 65 23.759 3.804 20.418 1.00 4.43 N ATOM 626 CA ASP A 65 24.976 3.195 19.891 1.00 12.52 C ATOM 627 C ASP A 65 24.667 2.338 18.668 1.00 53.44 C ATOM 628 O ASP A 65 24.466 1.130 18.779 1.00 50.12 O ATOM 629 CB ASP A 65 25.654 2.346 20.967 1.00 51.03 C ATOM 630 CG ASP A 65 26.729 1.442 20.398 1.00 62.24 C ATOM 631 OD1 ASP A 65 27.720 1.969 19.850 1.00 54.42 O ATOM 632 OD2 ASP A 65 26.581 0.205 20.499 1.00 13.34 O ATOM 0 H ASP A 65 22.908 3.551 19.916 1.00 4.43 H new ATOM 0 HA ASP A 65 25.653 3.994 19.591 1.00 12.52 H new ATOM 0 HB2 ASP A 65 26.094 3.001 21.719 1.00 51.03 H new ATOM 0 HB3 ASP A 65 24.903 1.739 21.473 1.00 51.03 H new ATOM 637 N GLY A 66 24.629 2.973 17.500 1.00 3.21 N ATOM 638 CA GLY A 66 24.344 2.254 16.272 1.00 33.45 C ATOM 639 C GLY A 66 23.609 3.106 15.258 1.00 50.52 C ATOM 640 O GLY A 66 22.585 2.694 14.714 1.00 31.54 O ATOM 0 H GLY A 66 24.791 3.973 17.383 1.00 3.21 H new ATOM 0 HA2 GLY A 66 25.279 1.901 15.836 1.00 33.45 H new ATOM 0 HA3 GLY A 66 23.747 1.372 16.502 1.00 33.45 H new ATOM 644 N SER A 67 24.133 4.302 15.002 1.00 13.25 N ATOM 645 CA SER A 67 23.517 5.218 14.050 1.00 10.42 C ATOM 646 C SER A 67 24.347 6.489 13.905 1.00 14.20 C ATOM 647 O SER A 67 24.884 7.010 14.883 1.00 1.30 O ATOM 648 CB SER A 67 22.096 5.571 14.495 1.00 42.31 C ATOM 649 OG SER A 67 21.622 6.724 13.821 1.00 60.54 O ATOM 0 H SER A 67 24.982 4.658 15.441 1.00 13.25 H new ATOM 0 HA SER A 67 23.473 4.721 13.081 1.00 10.42 H new ATOM 0 HB2 SER A 67 21.430 4.731 14.297 1.00 42.31 H new ATOM 0 HB3 SER A 67 22.081 5.743 15.571 1.00 42.31 H new ATOM 0 HG SER A 67 20.712 6.928 14.122 1.00 60.54 H new ATOM 655 N THR A 68 24.448 6.986 12.675 1.00 1.33 N ATOM 656 CA THR A 68 25.213 8.196 12.400 1.00 24.53 C ATOM 657 C THR A 68 24.995 8.669 10.968 1.00 43.44 C ATOM 658 O THR A 68 25.934 9.094 10.295 1.00 52.14 O ATOM 659 CB THR A 68 26.720 7.972 12.631 1.00 13.01 C ATOM 660 OG1 THR A 68 27.432 9.198 12.438 1.00 11.51 O ATOM 661 CG2 THR A 68 27.261 6.911 11.684 1.00 22.01 C ATOM 0 H THR A 68 24.009 6.569 11.854 1.00 1.33 H new ATOM 0 HA THR A 68 24.857 8.960 13.091 1.00 24.53 H new ATOM 0 HB THR A 68 26.861 7.628 13.656 1.00 13.01 H new ATOM 0 HG1 THR A 68 27.153 9.609 11.593 1.00 11.51 H new ATOM 0 HG21 THR A 68 28.326 6.770 11.866 1.00 22.01 H new ATOM 0 HG22 THR A 68 26.737 5.971 11.853 1.00 22.01 H new ATOM 0 HG23 THR A 68 27.108 7.231 10.653 1.00 22.01 H new ATOM 669 N ALA A 69 23.750 8.595 10.508 1.00 0.54 N ATOM 670 CA ALA A 69 23.409 9.021 9.157 1.00 62.03 C ATOM 671 C ALA A 69 24.109 8.154 8.115 1.00 12.21 C ATOM 672 O ALA A 69 25.294 8.338 7.835 1.00 31.04 O ATOM 673 CB ALA A 69 23.770 10.486 8.956 1.00 30.52 C ATOM 0 H ALA A 69 22.961 8.244 11.051 1.00 0.54 H new ATOM 0 HA ALA A 69 22.333 8.903 9.027 1.00 62.03 H new ATOM 0 HB1 ALA A 69 23.509 10.789 7.942 1.00 30.52 H new ATOM 0 HB2 ALA A 69 23.219 11.098 9.671 1.00 30.52 H new ATOM 0 HB3 ALA A 69 24.840 10.622 9.111 1.00 30.52 H new ATOM 679 N SER A 70 23.370 7.208 7.545 1.00 14.21 N ATOM 680 CA SER A 70 23.921 6.310 6.538 1.00 21.21 C ATOM 681 C SER A 70 22.855 5.346 6.027 1.00 74.23 C ATOM 682 O SER A 70 22.835 4.171 6.396 1.00 15.43 O ATOM 683 CB SER A 70 25.099 5.523 7.116 1.00 25.13 C ATOM 684 OG SER A 70 25.498 4.484 6.239 1.00 23.11 O ATOM 0 H SER A 70 22.387 7.044 7.764 1.00 14.21 H new ATOM 0 HA SER A 70 24.271 6.915 5.701 1.00 21.21 H new ATOM 0 HB2 SER A 70 25.938 6.196 7.293 1.00 25.13 H new ATOM 0 HB3 SER A 70 24.820 5.101 8.081 1.00 25.13 H new ATOM 0 HG SER A 70 24.809 3.788 6.222 1.00 23.11 H new ATOM 690 N ASP A 71 21.970 5.851 5.175 1.00 53.34 N ATOM 691 CA ASP A 71 20.900 5.037 4.611 1.00 40.14 C ATOM 692 C ASP A 71 21.132 4.789 3.123 1.00 22.20 C ATOM 693 O ASP A 71 20.969 5.690 2.300 1.00 33.53 O ATOM 694 CB ASP A 71 19.546 5.718 4.821 1.00 70.34 C ATOM 695 CG ASP A 71 19.469 6.455 6.143 1.00 30.41 C ATOM 696 OD1 ASP A 71 19.744 5.829 7.188 1.00 65.01 O ATOM 697 OD2 ASP A 71 19.131 7.657 6.134 1.00 50.21 O ATOM 0 H ASP A 71 21.973 6.821 4.860 1.00 53.34 H new ATOM 0 HA ASP A 71 20.899 4.076 5.126 1.00 40.14 H new ATOM 0 HB2 ASP A 71 19.365 6.419 4.006 1.00 70.34 H new ATOM 0 HB3 ASP A 71 18.755 4.969 4.779 1.00 70.34 H new ATOM 702 N ALA A 72 21.516 3.562 2.786 1.00 31.33 N ATOM 703 CA ALA A 72 21.770 3.195 1.399 1.00 41.00 C ATOM 704 C ALA A 72 20.525 2.596 0.752 1.00 62.12 C ATOM 705 O ALA A 72 20.109 3.018 -0.326 1.00 1.12 O ATOM 706 CB ALA A 72 22.933 2.217 1.316 1.00 52.55 C ATOM 0 H ALA A 72 21.658 2.805 3.455 1.00 31.33 H new ATOM 0 HA ALA A 72 22.031 4.101 0.852 1.00 41.00 H new ATOM 0 HB1 ALA A 72 23.111 1.952 0.274 1.00 52.55 H new ATOM 0 HB2 ALA A 72 23.828 2.680 1.731 1.00 52.55 H new ATOM 0 HB3 ALA A 72 22.693 1.318 1.884 1.00 52.55 H new ATOM 712 N GLY A 73 19.935 1.609 1.419 1.00 32.50 N ATOM 713 CA GLY A 73 18.744 0.967 0.894 1.00 53.44 C ATOM 714 C GLY A 73 18.202 -0.099 1.823 1.00 33.41 C ATOM 715 O GLY A 73 17.717 -1.137 1.372 1.00 62.01 O ATOM 0 H GLY A 73 20.260 1.242 2.314 1.00 32.50 H new ATOM 0 HA2 GLY A 73 17.975 1.720 0.723 1.00 53.44 H new ATOM 0 HA3 GLY A 73 18.973 0.519 -0.073 1.00 53.44 H new ATOM 719 N GLU A 74 18.284 0.155 3.125 1.00 31.41 N ATOM 720 CA GLU A 74 17.799 -0.794 4.121 1.00 21.32 C ATOM 721 C GLU A 74 16.276 -0.890 4.085 1.00 24.21 C ATOM 722 O GLU A 74 15.715 -1.967 3.880 1.00 3.24 O ATOM 723 CB GLU A 74 18.263 -0.382 5.520 1.00 51.43 C ATOM 724 CG GLU A 74 17.622 -1.188 6.636 1.00 54.23 C ATOM 725 CD GLU A 74 17.993 -2.657 6.583 1.00 23.23 C ATOM 726 OE1 GLU A 74 19.108 -2.971 6.117 1.00 10.14 O ATOM 727 OE2 GLU A 74 17.167 -3.493 7.008 1.00 45.31 O ATOM 0 H GLU A 74 18.682 1.010 3.515 1.00 31.41 H new ATOM 0 HA GLU A 74 18.213 -1.774 3.883 1.00 21.32 H new ATOM 0 HB2 GLU A 74 19.346 -0.490 5.581 1.00 51.43 H new ATOM 0 HB3 GLU A 74 18.039 0.674 5.671 1.00 51.43 H new ATOM 0 HG2 GLU A 74 17.926 -0.775 7.598 1.00 54.23 H new ATOM 0 HG3 GLU A 74 16.538 -1.089 6.574 1.00 54.23 H new ATOM 734 N THR A 75 15.614 0.244 4.287 1.00 0.21 N ATOM 735 CA THR A 75 14.157 0.290 4.281 1.00 41.25 C ATOM 736 C THR A 75 13.576 -0.529 5.428 1.00 53.04 C ATOM 737 O THR A 75 13.848 -1.723 5.551 1.00 22.14 O ATOM 738 CB THR A 75 13.585 -0.234 2.949 1.00 31.14 C ATOM 739 OG1 THR A 75 13.390 -1.651 3.024 1.00 33.04 O ATOM 740 CG2 THR A 75 14.517 0.095 1.793 1.00 21.30 C ATOM 0 H THR A 75 16.064 1.144 4.457 1.00 0.21 H new ATOM 0 HA THR A 75 13.873 1.335 4.405 1.00 41.25 H new ATOM 0 HB THR A 75 12.627 0.255 2.772 1.00 31.14 H new ATOM 0 HG1 THR A 75 13.975 -2.026 3.715 1.00 33.04 H new ATOM 0 HG21 THR A 75 14.092 -0.285 0.864 1.00 21.30 H new ATOM 0 HG22 THR A 75 14.640 1.176 1.721 1.00 21.30 H new ATOM 0 HG23 THR A 75 15.488 -0.370 1.965 1.00 21.30 H new ATOM 748 N HIS A 76 12.773 0.120 6.265 1.00 4.21 N ATOM 749 CA HIS A 76 12.152 -0.549 7.403 1.00 43.15 C ATOM 750 C HIS A 76 10.632 -0.477 7.311 1.00 12.55 C ATOM 751 O HIS A 76 9.922 -1.151 8.058 1.00 50.41 O ATOM 752 CB HIS A 76 12.628 0.081 8.713 1.00 75.43 C ATOM 753 CG HIS A 76 12.344 1.548 8.809 1.00 12.30 C ATOM 754 ND1 HIS A 76 11.082 2.082 8.662 1.00 55.31 N ATOM 755 CD2 HIS A 76 13.170 2.596 9.041 1.00 34.44 C ATOM 756 CE1 HIS A 76 11.143 3.395 8.798 1.00 54.32 C ATOM 757 NE2 HIS A 76 12.398 3.732 9.030 1.00 64.24 N ATOM 0 H HIS A 76 12.537 1.108 6.177 1.00 4.21 H new ATOM 0 HA HIS A 76 12.449 -1.598 7.385 1.00 43.15 H new ATOM 0 HB2 HIS A 76 12.148 -0.429 9.548 1.00 75.43 H new ATOM 0 HB3 HIS A 76 13.701 -0.081 8.816 1.00 75.43 H new ATOM 0 HD1 HIS A 76 10.233 1.547 8.477 1.00 55.31 H new ATOM 0 HD2 HIS A 76 14.237 2.548 9.204 1.00 34.44 H new ATOM 0 HE1 HIS A 76 10.308 4.077 8.731 1.00 54.32 H new ATOM 765 N PHE A 77 10.137 0.346 6.392 1.00 61.25 N ATOM 766 CA PHE A 77 8.700 0.508 6.203 1.00 31.55 C ATOM 767 C PHE A 77 8.248 -0.128 4.892 1.00 22.53 C ATOM 768 O PHE A 77 8.907 0.015 3.862 1.00 54.22 O ATOM 769 CB PHE A 77 8.326 1.991 6.220 1.00 34.31 C ATOM 770 CG PHE A 77 7.081 2.304 5.441 1.00 60.14 C ATOM 771 CD1 PHE A 77 5.859 1.770 5.816 1.00 24.23 C ATOM 772 CD2 PHE A 77 7.133 3.132 4.332 1.00 53.54 C ATOM 773 CE1 PHE A 77 4.713 2.055 5.100 1.00 13.42 C ATOM 774 CE2 PHE A 77 5.989 3.423 3.611 1.00 31.52 C ATOM 775 CZ PHE A 77 4.778 2.884 3.997 1.00 74.32 C ATOM 0 H PHE A 77 10.711 0.911 5.766 1.00 61.25 H new ATOM 0 HA PHE A 77 8.192 0.003 7.025 1.00 31.55 H new ATOM 0 HB2 PHE A 77 8.189 2.311 7.253 1.00 34.31 H new ATOM 0 HB3 PHE A 77 9.155 2.571 5.814 1.00 34.31 H new ATOM 0 HD1 PHE A 77 5.802 1.123 6.679 1.00 24.23 H new ATOM 0 HD2 PHE A 77 8.078 3.556 4.026 1.00 53.54 H new ATOM 0 HE1 PHE A 77 3.767 1.630 5.402 1.00 13.42 H new ATOM 0 HE2 PHE A 77 6.043 4.070 2.748 1.00 31.52 H new ATOM 0 HZ PHE A 77 3.883 3.110 3.437 1.00 74.32 H new ATOM 785 N ARG A 78 7.121 -0.830 4.939 1.00 72.51 N ATOM 786 CA ARG A 78 6.581 -1.490 3.756 1.00 13.12 C ATOM 787 C ARG A 78 5.055 -1.498 3.786 1.00 4.54 C ATOM 788 O ARG A 78 4.446 -1.772 4.821 1.00 61.43 O ATOM 789 CB ARG A 78 7.107 -2.922 3.659 1.00 24.44 C ATOM 790 CG ARG A 78 6.207 -3.948 4.330 1.00 24.00 C ATOM 791 CD ARG A 78 6.959 -5.234 4.635 1.00 62.30 C ATOM 792 NE ARG A 78 7.537 -5.828 3.432 1.00 25.23 N ATOM 793 CZ ARG A 78 8.506 -6.738 3.454 1.00 0.15 C ATOM 794 NH1 ARG A 78 9.002 -7.155 4.612 1.00 40.32 N ATOM 795 NH2 ARG A 78 8.981 -7.231 2.318 1.00 2.22 N ATOM 0 H ARG A 78 6.564 -0.957 5.784 1.00 72.51 H new ATOM 0 HA ARG A 78 6.907 -0.931 2.879 1.00 13.12 H new ATOM 0 HB2 ARG A 78 7.225 -3.186 2.608 1.00 24.44 H new ATOM 0 HB3 ARG A 78 8.097 -2.968 4.112 1.00 24.44 H new ATOM 0 HG2 ARG A 78 5.805 -3.532 5.254 1.00 24.00 H new ATOM 0 HG3 ARG A 78 5.357 -4.167 3.683 1.00 24.00 H new ATOM 0 HD2 ARG A 78 7.751 -5.029 5.355 1.00 62.30 H new ATOM 0 HD3 ARG A 78 6.281 -5.948 5.102 1.00 62.30 H new ATOM 0 HE ARG A 78 7.178 -5.528 2.526 1.00 25.23 H new ATOM 0 HH11 ARG A 78 8.640 -6.777 5.488 1.00 40.32 H new ATOM 0 HH12 ARG A 78 9.745 -7.853 4.627 1.00 40.32 H new ATOM 0 HH21 ARG A 78 8.603 -6.912 1.426 1.00 2.22 H new ATOM 0 HH22 ARG A 78 9.724 -7.929 2.336 1.00 2.22 H new ATOM 809 N LEU A 79 4.445 -1.195 2.646 1.00 0.45 N ATOM 810 CA LEU A 79 2.990 -1.166 2.542 1.00 44.41 C ATOM 811 C LEU A 79 2.508 -2.063 1.407 1.00 61.11 C ATOM 812 O LEU A 79 2.822 -1.827 0.240 1.00 11.41 O ATOM 813 CB LEU A 79 2.503 0.266 2.317 1.00 41.51 C ATOM 814 CG LEU A 79 1.004 0.434 2.067 1.00 21.14 C ATOM 815 CD1 LEU A 79 0.687 0.273 0.589 1.00 10.31 C ATOM 816 CD2 LEU A 79 0.211 -0.565 2.897 1.00 33.04 C ATOM 0 H LEU A 79 4.935 -0.966 1.781 1.00 0.45 H new ATOM 0 HA LEU A 79 2.576 -1.541 3.478 1.00 44.41 H new ATOM 0 HB2 LEU A 79 2.775 0.862 3.188 1.00 41.51 H new ATOM 0 HB3 LEU A 79 3.042 0.682 1.466 1.00 41.51 H new ATOM 0 HG LEU A 79 0.715 1.440 2.371 1.00 21.14 H new ATOM 0 HD11 LEU A 79 -0.384 0.396 0.431 1.00 10.31 H new ATOM 0 HD12 LEU A 79 1.227 1.027 0.017 1.00 10.31 H new ATOM 0 HD13 LEU A 79 0.991 -0.720 0.258 1.00 10.31 H new ATOM 0 HD21 LEU A 79 -0.854 -0.432 2.707 1.00 33.04 H new ATOM 0 HD22 LEU A 79 0.504 -1.579 2.624 1.00 33.04 H new ATOM 0 HD23 LEU A 79 0.414 -0.401 3.955 1.00 33.04 H new ATOM 828 N GLU A 80 1.743 -3.093 1.757 1.00 51.31 N ATOM 829 CA GLU A 80 1.217 -4.024 0.765 1.00 23.15 C ATOM 830 C GLU A 80 -0.309 -4.034 0.786 1.00 72.53 C ATOM 831 O GLU A 80 -0.930 -3.750 1.809 1.00 32.24 O ATOM 832 CB GLU A 80 1.751 -5.435 1.024 1.00 12.44 C ATOM 833 CG GLU A 80 3.236 -5.474 1.344 1.00 44.11 C ATOM 834 CD GLU A 80 3.792 -6.884 1.364 1.00 73.03 C ATOM 835 OE1 GLU A 80 3.181 -7.772 0.732 1.00 32.31 O ATOM 836 OE2 GLU A 80 4.838 -7.100 2.011 1.00 75.12 O ATOM 0 H GLU A 80 1.474 -3.303 2.718 1.00 51.31 H new ATOM 0 HA GLU A 80 1.548 -3.693 -0.219 1.00 23.15 H new ATOM 0 HB2 GLU A 80 1.198 -5.878 1.852 1.00 12.44 H new ATOM 0 HB3 GLU A 80 1.560 -6.053 0.147 1.00 12.44 H new ATOM 0 HG2 GLU A 80 3.779 -4.884 0.605 1.00 44.11 H new ATOM 0 HG3 GLU A 80 3.407 -5.006 2.314 1.00 44.11 H new ATOM 843 N VAL A 81 -0.908 -4.365 -0.354 1.00 64.33 N ATOM 844 CA VAL A 81 -2.360 -4.415 -0.470 1.00 3.22 C ATOM 845 C VAL A 81 -2.802 -5.560 -1.372 1.00 71.32 C ATOM 846 O VAL A 81 -2.354 -5.675 -2.514 1.00 34.11 O ATOM 847 CB VAL A 81 -2.924 -3.092 -1.024 1.00 64.40 C ATOM 848 CG1 VAL A 81 -1.801 -2.214 -1.556 1.00 74.24 C ATOM 849 CG2 VAL A 81 -3.957 -3.366 -2.106 1.00 31.13 C ATOM 0 H VAL A 81 -0.409 -4.603 -1.211 1.00 64.33 H new ATOM 0 HA VAL A 81 -2.752 -4.577 0.534 1.00 3.22 H new ATOM 0 HB VAL A 81 -3.416 -2.557 -0.211 1.00 64.40 H new ATOM 0 HG11 VAL A 81 -2.218 -1.284 -1.943 1.00 74.24 H new ATOM 0 HG12 VAL A 81 -1.101 -1.990 -0.751 1.00 74.24 H new ATOM 0 HG13 VAL A 81 -1.278 -2.738 -2.356 1.00 74.24 H new ATOM 0 HG21 VAL A 81 -4.345 -2.421 -2.486 1.00 31.13 H new ATOM 0 HG22 VAL A 81 -3.492 -3.921 -2.921 1.00 31.13 H new ATOM 0 HG23 VAL A 81 -4.775 -3.952 -1.688 1.00 31.13 H new ATOM 859 N THR A 82 -3.683 -6.409 -0.854 1.00 72.40 N ATOM 860 CA THR A 82 -4.186 -7.548 -1.612 1.00 21.12 C ATOM 861 C THR A 82 -5.701 -7.482 -1.763 1.00 55.32 C ATOM 862 O THR A 82 -6.435 -7.501 -0.775 1.00 74.34 O ATOM 863 CB THR A 82 -3.806 -8.881 -0.942 1.00 32.55 C ATOM 864 OG1 THR A 82 -2.389 -8.948 -0.751 1.00 0.51 O ATOM 865 CG2 THR A 82 -4.265 -10.061 -1.785 1.00 73.31 C ATOM 0 H THR A 82 -4.064 -6.329 0.089 1.00 72.40 H new ATOM 0 HA THR A 82 -3.723 -7.501 -2.598 1.00 21.12 H new ATOM 0 HB THR A 82 -4.305 -8.930 0.026 1.00 32.55 H new ATOM 0 HG1 THR A 82 -2.156 -9.798 -0.323 1.00 0.51 H new ATOM 0 HG21 THR A 82 -3.985 -10.992 -1.291 1.00 73.31 H new ATOM 0 HG22 THR A 82 -5.348 -10.024 -1.903 1.00 73.31 H new ATOM 0 HG23 THR A 82 -3.791 -10.014 -2.765 1.00 73.31 H new ATOM 873 N SER A 83 -6.165 -7.405 -3.007 1.00 0.45 N ATOM 874 CA SER A 83 -7.594 -7.332 -3.288 1.00 23.43 C ATOM 875 C SER A 83 -8.034 -8.496 -4.170 1.00 62.30 C ATOM 876 O SER A 83 -7.747 -8.524 -5.367 1.00 72.41 O ATOM 877 CB SER A 83 -7.936 -6.005 -3.966 1.00 1.10 C ATOM 878 OG SER A 83 -6.811 -5.143 -3.998 1.00 0.24 O ATOM 0 H SER A 83 -5.571 -7.392 -3.836 1.00 0.45 H new ATOM 0 HA SER A 83 -8.129 -7.395 -2.340 1.00 23.43 H new ATOM 0 HB2 SER A 83 -8.284 -6.191 -4.982 1.00 1.10 H new ATOM 0 HB3 SER A 83 -8.754 -5.521 -3.433 1.00 1.10 H new ATOM 0 HG SER A 83 -6.604 -4.842 -3.089 1.00 0.24 H new ATOM 884 N ASP A 84 -8.730 -9.455 -3.570 1.00 52.14 N ATOM 885 CA ASP A 84 -9.211 -10.621 -4.301 1.00 74.34 C ATOM 886 C ASP A 84 -8.051 -11.526 -4.705 1.00 35.44 C ATOM 887 O ASP A 84 -8.235 -12.499 -5.436 1.00 72.14 O ATOM 888 CB ASP A 84 -9.991 -10.187 -5.542 1.00 64.15 C ATOM 889 CG ASP A 84 -10.794 -8.922 -5.309 1.00 71.23 C ATOM 890 OD1 ASP A 84 -11.828 -8.996 -4.612 1.00 61.11 O ATOM 891 OD2 ASP A 84 -10.388 -7.859 -5.822 1.00 15.05 O ATOM 0 H ASP A 84 -8.974 -9.448 -2.580 1.00 52.14 H new ATOM 0 HA ASP A 84 -9.874 -11.182 -3.643 1.00 74.34 H new ATOM 0 HB2 ASP A 84 -9.296 -10.026 -6.366 1.00 64.15 H new ATOM 0 HB3 ASP A 84 -10.663 -10.990 -5.844 1.00 64.15 H new ATOM 896 N ALA A 85 -6.857 -11.198 -4.223 1.00 61.23 N ATOM 897 CA ALA A 85 -5.667 -11.982 -4.533 1.00 61.20 C ATOM 898 C ALA A 85 -5.575 -12.273 -6.027 1.00 30.54 C ATOM 899 O ALA A 85 -5.941 -13.358 -6.480 1.00 42.25 O ATOM 900 CB ALA A 85 -5.668 -13.279 -3.738 1.00 21.31 C ATOM 0 H ALA A 85 -6.688 -10.395 -3.617 1.00 61.23 H new ATOM 0 HA ALA A 85 -4.792 -11.397 -4.250 1.00 61.20 H new ATOM 0 HB1 ALA A 85 -4.774 -13.854 -3.979 1.00 21.31 H new ATOM 0 HB2 ALA A 85 -5.677 -13.052 -2.672 1.00 21.31 H new ATOM 0 HB3 ALA A 85 -6.554 -13.861 -3.993 1.00 21.31 H new ATOM 906 N PHE A 86 -5.086 -11.300 -6.787 1.00 2.42 N ATOM 907 CA PHE A 86 -4.948 -11.452 -8.231 1.00 35.35 C ATOM 908 C PHE A 86 -4.391 -10.179 -8.860 1.00 63.12 C ATOM 909 O PHE A 86 -5.140 -9.277 -9.234 1.00 64.45 O ATOM 910 CB PHE A 86 -6.300 -11.796 -8.859 1.00 40.33 C ATOM 911 CG PHE A 86 -6.335 -13.152 -9.503 1.00 24.54 C ATOM 912 CD1 PHE A 86 -5.404 -13.498 -10.470 1.00 32.12 C ATOM 913 CD2 PHE A 86 -7.295 -14.082 -9.140 1.00 14.40 C ATOM 914 CE1 PHE A 86 -5.434 -14.746 -11.064 1.00 55.02 C ATOM 915 CE2 PHE A 86 -7.330 -15.331 -9.731 1.00 12.02 C ATOM 916 CZ PHE A 86 -6.398 -15.664 -10.693 1.00 43.41 C ATOM 0 H PHE A 86 -4.778 -10.397 -6.427 1.00 2.42 H new ATOM 0 HA PHE A 86 -4.249 -12.266 -8.422 1.00 35.35 H new ATOM 0 HB2 PHE A 86 -7.071 -11.748 -8.090 1.00 40.33 H new ATOM 0 HB3 PHE A 86 -6.547 -11.042 -9.606 1.00 40.33 H new ATOM 0 HD1 PHE A 86 -4.647 -12.785 -10.762 1.00 32.12 H new ATOM 0 HD2 PHE A 86 -8.025 -13.828 -8.386 1.00 14.40 H new ATOM 0 HE1 PHE A 86 -4.704 -15.003 -11.818 1.00 55.02 H new ATOM 0 HE2 PHE A 86 -8.086 -16.046 -9.440 1.00 12.02 H new ATOM 0 HZ PHE A 86 -6.422 -16.640 -11.155 1.00 43.41 H new ATOM 926 N LYS A 87 -3.068 -10.113 -8.974 1.00 73.54 N ATOM 927 CA LYS A 87 -2.407 -8.953 -9.559 1.00 62.22 C ATOM 928 C LYS A 87 -2.610 -8.916 -11.070 1.00 43.13 C ATOM 929 O LYS A 87 -2.430 -9.922 -11.755 1.00 43.31 O ATOM 930 CB LYS A 87 -0.912 -8.975 -9.234 1.00 64.43 C ATOM 931 CG LYS A 87 -0.250 -7.610 -9.319 1.00 13.22 C ATOM 932 CD LYS A 87 0.980 -7.530 -8.431 1.00 21.30 C ATOM 933 CE LYS A 87 1.994 -6.534 -8.972 1.00 42.42 C ATOM 934 NZ LYS A 87 3.105 -7.210 -9.697 1.00 21.31 N ATOM 0 H LYS A 87 -2.433 -10.850 -8.668 1.00 73.54 H new ATOM 0 HA LYS A 87 -2.853 -8.056 -9.129 1.00 62.22 H new ATOM 0 HB2 LYS A 87 -0.773 -9.375 -8.230 1.00 64.43 H new ATOM 0 HB3 LYS A 87 -0.410 -9.656 -9.921 1.00 64.43 H new ATOM 0 HG2 LYS A 87 0.032 -7.405 -10.352 1.00 13.22 H new ATOM 0 HG3 LYS A 87 -0.963 -6.840 -9.025 1.00 13.22 H new ATOM 0 HD2 LYS A 87 0.684 -7.239 -7.423 1.00 21.30 H new ATOM 0 HD3 LYS A 87 1.440 -8.515 -8.356 1.00 21.30 H new ATOM 0 HE2 LYS A 87 1.494 -5.836 -9.644 1.00 42.42 H new ATOM 0 HE3 LYS A 87 2.402 -5.948 -8.149 1.00 42.42 H new ATOM 0 HZ1 LYS A 87 3.774 -6.496 -10.050 1.00 21.31 H new ATOM 0 HZ2 LYS A 87 3.599 -7.857 -9.050 1.00 21.31 H new ATOM 0 HZ3 LYS A 87 2.719 -7.749 -10.498 1.00 21.31 H new ATOM 948 N GLY A 88 -2.983 -7.748 -11.584 1.00 74.34 N ATOM 949 CA GLY A 88 -3.203 -7.602 -13.012 1.00 4.03 C ATOM 950 C GLY A 88 -3.177 -6.153 -13.457 1.00 60.12 C ATOM 951 O GLY A 88 -2.663 -5.834 -14.529 1.00 42.33 O ATOM 0 H GLY A 88 -3.137 -6.900 -11.038 1.00 74.34 H new ATOM 0 HA2 GLY A 88 -2.438 -8.159 -13.553 1.00 4.03 H new ATOM 0 HA3 GLY A 88 -4.165 -8.043 -13.275 1.00 4.03 H new ATOM 955 N LEU A 89 -3.734 -5.273 -12.632 1.00 74.33 N ATOM 956 CA LEU A 89 -3.776 -3.849 -12.948 1.00 22.01 C ATOM 957 C LEU A 89 -2.571 -3.125 -12.355 1.00 12.23 C ATOM 958 O LEU A 89 -1.941 -3.611 -11.415 1.00 33.31 O ATOM 959 CB LEU A 89 -5.070 -3.227 -12.420 1.00 10.23 C ATOM 960 CG LEU A 89 -6.282 -3.309 -13.348 1.00 71.03 C ATOM 961 CD1 LEU A 89 -7.572 -3.267 -12.546 1.00 74.10 C ATOM 962 CD2 LEU A 89 -6.249 -2.180 -14.368 1.00 42.32 C ATOM 0 H LEU A 89 -4.162 -5.520 -11.740 1.00 74.33 H new ATOM 0 HA LEU A 89 -3.745 -3.741 -14.032 1.00 22.01 H new ATOM 0 HB2 LEU A 89 -5.325 -3.713 -11.478 1.00 10.23 H new ATOM 0 HB3 LEU A 89 -4.880 -2.177 -12.196 1.00 10.23 H new ATOM 0 HG LEU A 89 -6.242 -4.258 -13.883 1.00 71.03 H new ATOM 0 HD11 LEU A 89 -8.424 -3.326 -13.224 1.00 74.10 H new ATOM 0 HD12 LEU A 89 -7.598 -4.110 -11.855 1.00 74.10 H new ATOM 0 HD13 LEU A 89 -7.620 -2.335 -11.983 1.00 74.10 H new ATOM 0 HD21 LEU A 89 -7.119 -2.254 -15.021 1.00 42.32 H new ATOM 0 HD22 LEU A 89 -6.264 -1.221 -13.850 1.00 42.32 H new ATOM 0 HD23 LEU A 89 -5.340 -2.256 -14.965 1.00 42.32 H new ATOM 974 N THR A 90 -2.256 -1.959 -12.909 1.00 41.54 N ATOM 975 CA THR A 90 -1.129 -1.166 -12.436 1.00 24.44 C ATOM 976 C THR A 90 -1.192 -0.967 -10.926 1.00 72.43 C ATOM 977 O THR A 90 -2.018 -0.204 -10.425 1.00 33.22 O ATOM 978 CB THR A 90 -1.082 0.211 -13.123 1.00 2.44 C ATOM 979 OG1 THR A 90 -2.201 1.002 -12.709 1.00 42.44 O ATOM 980 CG2 THR A 90 -1.090 0.062 -14.637 1.00 13.32 C ATOM 0 H THR A 90 -2.767 -1.542 -13.687 1.00 41.54 H new ATOM 0 HA THR A 90 -0.225 -1.720 -12.689 1.00 24.44 H new ATOM 0 HB THR A 90 -0.158 0.708 -12.829 1.00 2.44 H new ATOM 0 HG1 THR A 90 -2.534 0.672 -11.848 1.00 42.44 H new ATOM 0 HG21 THR A 90 -1.056 1.048 -15.100 1.00 13.32 H new ATOM 0 HG22 THR A 90 -0.220 -0.516 -14.950 1.00 13.32 H new ATOM 0 HG23 THR A 90 -1.999 -0.453 -14.947 1.00 13.32 H new ATOM 988 N LEU A 91 -0.315 -1.657 -10.206 1.00 21.24 N ATOM 989 CA LEU A 91 -0.271 -1.555 -8.751 1.00 64.01 C ATOM 990 C LEU A 91 -0.105 -0.105 -8.311 1.00 50.53 C ATOM 991 O LEU A 91 -0.533 0.278 -7.222 1.00 54.23 O ATOM 992 CB LEU A 91 0.876 -2.402 -8.195 1.00 44.41 C ATOM 993 CG LEU A 91 2.285 -1.844 -8.405 1.00 30.41 C ATOM 994 CD1 LEU A 91 3.269 -2.510 -7.455 1.00 15.21 C ATOM 995 CD2 LEU A 91 2.724 -2.036 -9.849 1.00 54.43 C ATOM 0 H LEU A 91 0.375 -2.293 -10.605 1.00 21.24 H new ATOM 0 HA LEU A 91 -1.216 -1.929 -8.357 1.00 64.01 H new ATOM 0 HB2 LEU A 91 0.716 -2.537 -7.125 1.00 44.41 H new ATOM 0 HB3 LEU A 91 0.826 -3.390 -8.652 1.00 44.41 H new ATOM 0 HG LEU A 91 2.268 -0.776 -8.189 1.00 30.41 H new ATOM 0 HD11 LEU A 91 4.266 -2.101 -7.618 1.00 15.21 H new ATOM 0 HD12 LEU A 91 2.964 -2.323 -6.425 1.00 15.21 H new ATOM 0 HD13 LEU A 91 3.283 -3.584 -7.640 1.00 15.21 H new ATOM 0 HD21 LEU A 91 3.728 -1.633 -9.981 1.00 54.43 H new ATOM 0 HD22 LEU A 91 2.725 -3.099 -10.091 1.00 54.43 H new ATOM 0 HD23 LEU A 91 2.034 -1.513 -10.512 1.00 54.43 H new ATOM 1007 N VAL A 92 0.517 0.700 -9.167 1.00 14.50 N ATOM 1008 CA VAL A 92 0.735 2.112 -8.869 1.00 22.51 C ATOM 1009 C VAL A 92 -0.588 2.840 -8.657 1.00 22.02 C ATOM 1010 O VAL A 92 -0.628 3.915 -8.059 1.00 41.00 O ATOM 1011 CB VAL A 92 1.517 2.809 -9.998 1.00 12.12 C ATOM 1012 CG1 VAL A 92 2.837 2.097 -10.252 1.00 3.12 C ATOM 1013 CG2 VAL A 92 0.681 2.868 -11.268 1.00 11.32 C ATOM 0 H VAL A 92 0.879 0.399 -10.072 1.00 14.50 H new ATOM 0 HA VAL A 92 1.321 2.155 -7.951 1.00 22.51 H new ATOM 0 HB VAL A 92 1.736 3.830 -9.687 1.00 12.12 H new ATOM 0 HG11 VAL A 92 3.375 2.604 -11.053 1.00 3.12 H new ATOM 0 HG12 VAL A 92 3.439 2.112 -9.344 1.00 3.12 H new ATOM 0 HG13 VAL A 92 2.643 1.064 -10.542 1.00 3.12 H new ATOM 0 HG21 VAL A 92 1.249 3.364 -12.055 1.00 11.32 H new ATOM 0 HG22 VAL A 92 0.429 1.856 -11.585 1.00 11.32 H new ATOM 0 HG23 VAL A 92 -0.235 3.427 -11.075 1.00 11.32 H new ATOM 1023 N LYS A 93 -1.669 2.246 -9.151 1.00 52.33 N ATOM 1024 CA LYS A 93 -2.996 2.837 -9.016 1.00 24.15 C ATOM 1025 C LYS A 93 -3.468 2.786 -7.566 1.00 61.30 C ATOM 1026 O LYS A 93 -3.923 3.789 -7.016 1.00 22.03 O ATOM 1027 CB LYS A 93 -3.996 2.107 -9.914 1.00 64.15 C ATOM 1028 CG LYS A 93 -5.428 2.584 -9.745 1.00 65.11 C ATOM 1029 CD LYS A 93 -6.310 1.499 -9.151 1.00 74.33 C ATOM 1030 CE LYS A 93 -7.757 1.652 -9.596 1.00 61.42 C ATOM 1031 NZ LYS A 93 -8.379 0.338 -9.920 1.00 73.12 N ATOM 0 H LYS A 93 -1.653 1.356 -9.649 1.00 52.33 H new ATOM 0 HA LYS A 93 -2.935 3.881 -9.324 1.00 24.15 H new ATOM 0 HB2 LYS A 93 -3.699 2.237 -10.955 1.00 64.15 H new ATOM 0 HB3 LYS A 93 -3.950 1.039 -9.701 1.00 64.15 H new ATOM 0 HG2 LYS A 93 -5.446 3.463 -9.100 1.00 65.11 H new ATOM 0 HG3 LYS A 93 -5.827 2.890 -10.712 1.00 65.11 H new ATOM 0 HD2 LYS A 93 -5.937 0.520 -9.452 1.00 74.33 H new ATOM 0 HD3 LYS A 93 -6.256 1.540 -8.063 1.00 74.33 H new ATOM 0 HE2 LYS A 93 -8.330 2.141 -8.808 1.00 61.42 H new ATOM 0 HE3 LYS A 93 -7.801 2.301 -10.471 1.00 61.42 H new ATOM 0 HZ1 LYS A 93 -9.364 0.485 -10.219 1.00 73.12 H new ATOM 0 HZ2 LYS A 93 -7.848 -0.117 -10.690 1.00 73.12 H new ATOM 0 HZ3 LYS A 93 -8.360 -0.272 -9.078 1.00 73.12 H new ATOM 1045 N ARG A 94 -3.355 1.613 -6.953 1.00 23.44 N ATOM 1046 CA ARG A 94 -3.770 1.432 -5.566 1.00 51.15 C ATOM 1047 C ARG A 94 -2.887 2.244 -4.624 1.00 42.22 C ATOM 1048 O ARG A 94 -3.382 2.927 -3.727 1.00 21.44 O ATOM 1049 CB ARG A 94 -3.715 -0.049 -5.185 1.00 34.14 C ATOM 1050 CG ARG A 94 -4.602 -0.933 -6.045 1.00 14.24 C ATOM 1051 CD ARG A 94 -5.470 -1.847 -5.194 1.00 34.10 C ATOM 1052 NE ARG A 94 -6.365 -1.094 -4.320 1.00 60.42 N ATOM 1053 CZ ARG A 94 -7.416 -0.410 -4.757 1.00 15.02 C ATOM 1054 NH1 ARG A 94 -7.702 -0.384 -6.052 1.00 20.11 N ATOM 1055 NH2 ARG A 94 -8.183 0.250 -3.899 1.00 33.31 N ATOM 0 H ARG A 94 -2.980 0.773 -7.394 1.00 23.44 H new ATOM 0 HA ARG A 94 -4.796 1.787 -5.470 1.00 51.15 H new ATOM 0 HB2 ARG A 94 -2.685 -0.397 -5.263 1.00 34.14 H new ATOM 0 HB3 ARG A 94 -4.010 -0.158 -4.141 1.00 34.14 H new ATOM 0 HG2 ARG A 94 -5.237 -0.310 -6.675 1.00 14.24 H new ATOM 0 HG3 ARG A 94 -3.983 -1.534 -6.711 1.00 14.24 H new ATOM 0 HD2 ARG A 94 -6.058 -2.496 -5.843 1.00 34.10 H new ATOM 0 HD3 ARG A 94 -4.833 -2.493 -4.590 1.00 34.10 H new ATOM 0 HE ARG A 94 -6.172 -1.093 -3.318 1.00 60.42 H new ATOM 0 HH11 ARG A 94 -7.114 -0.890 -6.714 1.00 20.11 H new ATOM 0 HH12 ARG A 94 -8.510 0.142 -6.385 1.00 20.11 H new ATOM 0 HH21 ARG A 94 -7.966 0.232 -2.903 1.00 33.31 H new ATOM 0 HH22 ARG A 94 -8.990 0.775 -4.236 1.00 33.31 H new ATOM 1069 N HIS A 95 -1.577 2.167 -4.835 1.00 25.22 N ATOM 1070 CA HIS A 95 -0.625 2.895 -4.004 1.00 42.21 C ATOM 1071 C HIS A 95 -0.833 4.401 -4.132 1.00 64.32 C ATOM 1072 O HIS A 95 -0.694 5.140 -3.158 1.00 4.45 O ATOM 1073 CB HIS A 95 0.808 2.531 -4.395 1.00 40.43 C ATOM 1074 CG HIS A 95 1.754 3.692 -4.352 1.00 22.14 C ATOM 1075 ND1 HIS A 95 2.010 4.411 -3.203 1.00 72.24 N ATOM 1076 CD2 HIS A 95 2.507 4.257 -5.324 1.00 4.33 C ATOM 1077 CE1 HIS A 95 2.880 5.369 -3.471 1.00 12.41 C ATOM 1078 NE2 HIS A 95 3.198 5.296 -4.751 1.00 11.53 N ATOM 0 H HIS A 95 -1.151 1.608 -5.574 1.00 25.22 H new ATOM 0 HA HIS A 95 -0.794 2.610 -2.966 1.00 42.21 H new ATOM 0 HB2 HIS A 95 1.172 1.752 -3.725 1.00 40.43 H new ATOM 0 HB3 HIS A 95 0.806 2.112 -5.401 1.00 40.43 H new ATOM 0 HD2 HIS A 95 2.555 3.948 -6.358 1.00 4.33 H new ATOM 0 HE1 HIS A 95 3.265 6.089 -2.764 1.00 12.41 H new ATOM 0 HE2 HIS A 95 3.851 5.912 -5.235 1.00 11.53 H new ATOM 1086 N GLN A 96 -1.165 4.848 -5.338 1.00 73.45 N ATOM 1087 CA GLN A 96 -1.391 6.265 -5.593 1.00 51.21 C ATOM 1088 C GLN A 96 -2.719 6.720 -4.997 1.00 54.10 C ATOM 1089 O GLN A 96 -2.854 7.862 -4.554 1.00 14.22 O ATOM 1090 CB GLN A 96 -1.372 6.545 -7.097 1.00 24.34 C ATOM 1091 CG GLN A 96 -1.763 7.970 -7.456 1.00 23.50 C ATOM 1092 CD GLN A 96 -0.785 8.619 -8.415 1.00 4.15 C ATOM 1093 OE1 GLN A 96 -0.649 8.196 -9.563 1.00 13.25 O ATOM 1094 NE2 GLN A 96 -0.096 9.653 -7.946 1.00 43.25 N ATOM 0 H GLN A 96 -1.284 4.249 -6.155 1.00 73.45 H new ATOM 0 HA GLN A 96 -0.587 6.826 -5.116 1.00 51.21 H new ATOM 0 HB2 GLN A 96 -0.373 6.343 -7.483 1.00 24.34 H new ATOM 0 HB3 GLN A 96 -2.052 5.854 -7.595 1.00 24.34 H new ATOM 0 HG2 GLN A 96 -2.757 7.968 -7.903 1.00 23.50 H new ATOM 0 HG3 GLN A 96 -1.824 8.566 -6.546 1.00 23.50 H new ATOM 0 HE21 GLN A 96 -0.241 9.970 -6.987 1.00 43.25 H new ATOM 0 HE22 GLN A 96 0.578 10.130 -8.544 1.00 43.25 H new ATOM 1103 N LEU A 97 -3.698 5.822 -4.989 1.00 21.30 N ATOM 1104 CA LEU A 97 -5.016 6.131 -4.446 1.00 41.45 C ATOM 1105 C LEU A 97 -4.925 6.501 -2.970 1.00 50.41 C ATOM 1106 O LEU A 97 -5.422 7.547 -2.550 1.00 65.31 O ATOM 1107 CB LEU A 97 -5.957 4.938 -4.629 1.00 22.15 C ATOM 1108 CG LEU A 97 -6.672 4.846 -5.977 1.00 42.20 C ATOM 1109 CD1 LEU A 97 -7.442 3.540 -6.084 1.00 15.31 C ATOM 1110 CD2 LEU A 97 -7.603 6.034 -6.168 1.00 54.40 C ATOM 0 H LEU A 97 -3.604 4.874 -5.353 1.00 21.30 H new ATOM 0 HA LEU A 97 -5.414 6.987 -4.991 1.00 41.45 H new ATOM 0 HB2 LEU A 97 -5.383 4.023 -4.482 1.00 22.15 H new ATOM 0 HB3 LEU A 97 -6.711 4.972 -3.842 1.00 22.15 H new ATOM 0 HG LEU A 97 -5.922 4.867 -6.768 1.00 42.20 H new ATOM 0 HD11 LEU A 97 -7.945 3.492 -7.050 1.00 15.31 H new ATOM 0 HD12 LEU A 97 -6.751 2.702 -5.992 1.00 15.31 H new ATOM 0 HD13 LEU A 97 -8.183 3.488 -5.286 1.00 15.31 H new ATOM 0 HD21 LEU A 97 -8.104 5.952 -7.133 1.00 54.40 H new ATOM 0 HD22 LEU A 97 -8.348 6.044 -5.372 1.00 54.40 H new ATOM 0 HD23 LEU A 97 -7.025 6.958 -6.136 1.00 54.40 H new ATOM 1122 N ILE A 98 -4.286 5.638 -2.188 1.00 13.42 N ATOM 1123 CA ILE A 98 -4.127 5.876 -0.758 1.00 54.21 C ATOM 1124 C ILE A 98 -2.936 6.787 -0.482 1.00 14.30 C ATOM 1125 O ILE A 98 -2.872 7.445 0.557 1.00 11.12 O ATOM 1126 CB ILE A 98 -3.940 4.557 0.015 1.00 43.12 C ATOM 1127 CG1 ILE A 98 -2.678 3.836 -0.462 1.00 3.42 C ATOM 1128 CG2 ILE A 98 -5.162 3.666 -0.155 1.00 23.01 C ATOM 1129 CD1 ILE A 98 -2.238 2.718 0.457 1.00 43.11 C ATOM 0 H ILE A 98 -3.870 4.768 -2.520 1.00 13.42 H new ATOM 0 HA ILE A 98 -5.041 6.362 -0.415 1.00 54.21 H new ATOM 0 HB ILE A 98 -3.826 4.786 1.074 1.00 43.12 H new ATOM 0 HG12 ILE A 98 -2.856 3.429 -1.457 1.00 3.42 H new ATOM 0 HG13 ILE A 98 -1.868 4.560 -0.554 1.00 3.42 H new ATOM 0 HG21 ILE A 98 -5.015 2.738 0.397 1.00 23.01 H new ATOM 0 HG22 ILE A 98 -6.043 4.180 0.228 1.00 23.01 H new ATOM 0 HG23 ILE A 98 -5.304 3.441 -1.212 1.00 23.01 H new ATOM 0 HD11 ILE A 98 -1.338 2.251 0.057 1.00 43.11 H new ATOM 0 HD12 ILE A 98 -2.028 3.122 1.447 1.00 43.11 H new ATOM 0 HD13 ILE A 98 -3.031 1.974 0.530 1.00 43.11 H new ATOM 1141 N TYR A 99 -1.995 6.823 -1.419 1.00 52.14 N ATOM 1142 CA TYR A 99 -0.805 7.653 -1.277 1.00 14.13 C ATOM 1143 C TYR A 99 -0.316 7.661 0.168 1.00 72.43 C ATOM 1144 O TYR A 99 0.002 8.712 0.723 1.00 44.35 O ATOM 1145 CB TYR A 99 -1.098 9.083 -1.736 1.00 22.23 C ATOM 1146 CG TYR A 99 -2.337 9.680 -1.106 1.00 63.11 C ATOM 1147 CD1 TYR A 99 -3.583 9.532 -1.703 1.00 50.51 C ATOM 1148 CD2 TYR A 99 -2.261 10.391 0.085 1.00 64.24 C ATOM 1149 CE1 TYR A 99 -4.717 10.076 -1.132 1.00 52.00 C ATOM 1150 CE2 TYR A 99 -3.390 10.937 0.664 1.00 63.03 C ATOM 1151 CZ TYR A 99 -4.615 10.778 0.051 1.00 21.33 C ATOM 1152 OH TYR A 99 -5.742 11.321 0.625 1.00 2.21 O ATOM 0 H TYR A 99 -2.034 6.286 -2.286 1.00 52.14 H new ATOM 0 HA TYR A 99 -0.021 7.230 -1.905 1.00 14.13 H new ATOM 0 HB2 TYR A 99 -0.241 9.714 -1.500 1.00 22.23 H new ATOM 0 HB3 TYR A 99 -1.212 9.092 -2.820 1.00 22.23 H new ATOM 0 HD1 TYR A 99 -3.666 8.982 -2.629 1.00 50.51 H new ATOM 0 HD2 TYR A 99 -1.303 10.519 0.566 1.00 64.24 H new ATOM 0 HE1 TYR A 99 -5.678 9.952 -1.609 1.00 52.00 H new ATOM 0 HE2 TYR A 99 -3.314 11.485 1.591 1.00 63.03 H new ATOM 0 HH TYR A 99 -5.497 11.782 1.454 1.00 2.21 H new ATOM 1162 N GLY A 100 -0.259 6.478 0.773 1.00 63.02 N ATOM 1163 CA GLY A 100 0.193 6.370 2.148 1.00 62.53 C ATOM 1164 C GLY A 100 1.694 6.184 2.252 1.00 11.42 C ATOM 1165 O GLY A 100 2.288 6.441 3.301 1.00 61.33 O ATOM 0 H GLY A 100 -0.518 5.593 0.336 1.00 63.02 H new ATOM 0 HA2 GLY A 100 -0.098 7.267 2.694 1.00 62.53 H new ATOM 0 HA3 GLY A 100 -0.308 5.529 2.627 1.00 62.53 H new ATOM 1169 N LEU A 101 2.310 5.736 1.163 1.00 11.15 N ATOM 1170 CA LEU A 101 3.752 5.515 1.137 1.00 32.32 C ATOM 1171 C LEU A 101 4.508 6.825 1.333 1.00 72.21 C ATOM 1172 O LEU A 101 3.928 7.908 1.241 1.00 1.11 O ATOM 1173 CB LEU A 101 4.163 4.867 -0.186 1.00 43.32 C ATOM 1174 CG LEU A 101 4.048 3.344 -0.254 1.00 12.22 C ATOM 1175 CD1 LEU A 101 5.122 2.689 0.599 1.00 22.31 C ATOM 1176 CD2 LEU A 101 2.664 2.895 0.192 1.00 52.22 C ATOM 0 H LEU A 101 1.834 5.519 0.287 1.00 11.15 H new ATOM 0 HA LEU A 101 4.008 4.845 1.958 1.00 32.32 H new ATOM 0 HB2 LEU A 101 3.551 5.293 -0.981 1.00 43.32 H new ATOM 0 HB3 LEU A 101 5.196 5.143 -0.396 1.00 43.32 H new ATOM 0 HG LEU A 101 4.195 3.033 -1.288 1.00 12.22 H new ATOM 0 HD11 LEU A 101 5.024 1.605 0.538 1.00 22.31 H new ATOM 0 HD12 LEU A 101 6.106 2.986 0.236 1.00 22.31 H new ATOM 0 HD13 LEU A 101 5.007 3.006 1.636 1.00 22.31 H new ATOM 0 HD21 LEU A 101 2.599 1.808 0.138 1.00 52.22 H new ATOM 0 HD22 LEU A 101 2.490 3.218 1.218 1.00 52.22 H new ATOM 0 HD23 LEU A 101 1.910 3.337 -0.460 1.00 52.22 H new ATOM 1188 N LEU A 102 5.804 6.720 1.600 1.00 64.12 N ATOM 1189 CA LEU A 102 6.641 7.896 1.806 1.00 41.23 C ATOM 1190 C LEU A 102 6.022 8.830 2.840 1.00 2.43 C ATOM 1191 O LEU A 102 5.539 9.912 2.504 1.00 22.31 O ATOM 1192 CB LEU A 102 6.843 8.641 0.485 1.00 34.04 C ATOM 1193 CG LEU A 102 7.897 8.062 -0.458 1.00 64.23 C ATOM 1194 CD1 LEU A 102 7.240 7.459 -1.689 1.00 54.12 C ATOM 1195 CD2 LEU A 102 8.901 9.133 -0.858 1.00 52.50 C ATOM 0 H LEU A 102 6.299 5.832 1.679 1.00 64.12 H new ATOM 0 HA LEU A 102 7.609 7.562 2.179 1.00 41.23 H new ATOM 0 HB2 LEU A 102 5.889 8.670 -0.042 1.00 34.04 H new ATOM 0 HB3 LEU A 102 7.114 9.672 0.711 1.00 34.04 H new ATOM 0 HG LEU A 102 8.430 7.270 0.068 1.00 64.23 H new ATOM 0 HD11 LEU A 102 8.007 7.052 -2.348 1.00 54.12 H new ATOM 0 HD12 LEU A 102 6.562 6.662 -1.386 1.00 54.12 H new ATOM 0 HD13 LEU A 102 6.680 8.231 -2.217 1.00 54.12 H new ATOM 0 HD21 LEU A 102 9.644 8.703 -1.530 1.00 52.50 H new ATOM 0 HD22 LEU A 102 8.382 9.947 -1.364 1.00 52.50 H new ATOM 0 HD23 LEU A 102 9.397 9.518 0.033 1.00 52.50 H new ATOM 1207 N SER A 103 6.041 8.407 4.101 1.00 44.45 N ATOM 1208 CA SER A 103 5.481 9.205 5.184 1.00 71.43 C ATOM 1209 C SER A 103 6.272 9.003 6.473 1.00 62.12 C ATOM 1210 O SER A 103 6.959 9.911 6.941 1.00 63.15 O ATOM 1211 CB SER A 103 4.013 8.837 5.409 1.00 5.04 C ATOM 1212 OG SER A 103 3.433 9.648 6.416 1.00 33.24 O ATOM 0 H SER A 103 6.439 7.515 4.397 1.00 44.45 H new ATOM 0 HA SER A 103 5.546 10.255 4.900 1.00 71.43 H new ATOM 0 HB2 SER A 103 3.458 8.955 4.478 1.00 5.04 H new ATOM 0 HB3 SER A 103 3.937 7.788 5.694 1.00 5.04 H new ATOM 0 HG SER A 103 2.494 9.395 6.540 1.00 33.24 H new ATOM 1218 N ASP A 104 6.169 7.807 7.041 1.00 12.25 N ATOM 1219 CA ASP A 104 6.874 7.483 8.276 1.00 12.43 C ATOM 1220 C ASP A 104 8.346 7.189 8.000 1.00 52.35 C ATOM 1221 O ASP A 104 9.223 7.601 8.759 1.00 34.41 O ATOM 1222 CB ASP A 104 6.222 6.283 8.962 1.00 53.41 C ATOM 1223 CG ASP A 104 7.106 5.678 10.034 1.00 74.42 C ATOM 1224 OD1 ASP A 104 8.067 4.965 9.677 1.00 74.52 O ATOM 1225 OD2 ASP A 104 6.837 5.916 11.231 1.00 70.20 O ATOM 0 H ASP A 104 5.604 7.045 6.666 1.00 12.25 H new ATOM 0 HA ASP A 104 6.812 8.347 8.938 1.00 12.43 H new ATOM 0 HB2 ASP A 104 5.276 6.592 9.407 1.00 53.41 H new ATOM 0 HB3 ASP A 104 5.990 5.523 8.215 1.00 53.41 H new ATOM 1230 N GLU A 105 8.607 6.475 6.909 1.00 12.52 N ATOM 1231 CA GLU A 105 9.971 6.125 6.535 1.00 5.12 C ATOM 1232 C GLU A 105 10.822 7.378 6.343 1.00 34.04 C ATOM 1233 O GLU A 105 12.031 7.363 6.577 1.00 52.11 O ATOM 1234 CB GLU A 105 9.974 5.293 5.251 1.00 44.02 C ATOM 1235 CG GLU A 105 10.079 6.126 3.985 1.00 15.33 C ATOM 1236 CD GLU A 105 9.603 5.381 2.754 1.00 23.50 C ATOM 1237 OE1 GLU A 105 8.373 5.275 2.563 1.00 64.31 O ATOM 1238 OE2 GLU A 105 10.460 4.901 1.982 1.00 43.20 O ATOM 0 H GLU A 105 7.892 6.128 6.270 1.00 12.52 H new ATOM 0 HA GLU A 105 10.401 5.534 7.344 1.00 5.12 H new ATOM 0 HB2 GLU A 105 10.808 4.592 5.285 1.00 44.02 H new ATOM 0 HB3 GLU A 105 9.060 4.700 5.211 1.00 44.02 H new ATOM 0 HG2 GLU A 105 9.491 7.036 4.104 1.00 15.33 H new ATOM 0 HG3 GLU A 105 11.115 6.432 3.841 1.00 15.33 H new ATOM 1245 N PHE A 106 10.181 8.461 5.918 1.00 54.34 N ATOM 1246 CA PHE A 106 10.878 9.723 5.694 1.00 55.14 C ATOM 1247 C PHE A 106 11.419 10.285 7.004 1.00 44.25 C ATOM 1248 O PHE A 106 12.551 10.769 7.065 1.00 32.22 O ATOM 1249 CB PHE A 106 9.939 10.739 5.039 1.00 73.52 C ATOM 1250 CG PHE A 106 10.650 11.743 4.177 1.00 13.34 C ATOM 1251 CD1 PHE A 106 11.029 11.421 2.884 1.00 14.33 C ATOM 1252 CD2 PHE A 106 10.938 13.009 4.660 1.00 34.43 C ATOM 1253 CE1 PHE A 106 11.683 12.343 2.090 1.00 51.55 C ATOM 1254 CE2 PHE A 106 11.592 13.936 3.870 1.00 21.34 C ATOM 1255 CZ PHE A 106 11.964 13.602 2.583 1.00 52.52 C ATOM 0 H PHE A 106 9.181 8.491 5.722 1.00 54.34 H new ATOM 0 HA PHE A 106 11.718 9.532 5.027 1.00 55.14 H new ATOM 0 HB2 PHE A 106 9.206 10.206 4.433 1.00 73.52 H new ATOM 0 HB3 PHE A 106 9.387 11.266 5.817 1.00 73.52 H new ATOM 0 HD1 PHE A 106 10.811 10.438 2.492 1.00 14.33 H new ATOM 0 HD2 PHE A 106 10.648 13.275 5.666 1.00 34.43 H new ATOM 0 HE1 PHE A 106 11.974 12.079 1.084 1.00 51.55 H new ATOM 0 HE2 PHE A 106 11.811 14.919 4.259 1.00 21.34 H new ATOM 0 HZ PHE A 106 12.474 14.324 1.963 1.00 52.52 H new ATOM 1265 N LYS A 107 10.604 10.220 8.051 1.00 31.43 N ATOM 1266 CA LYS A 107 11.000 10.721 9.361 1.00 11.33 C ATOM 1267 C LYS A 107 12.218 9.968 9.888 1.00 51.43 C ATOM 1268 O LYS A 107 12.905 10.437 10.795 1.00 14.13 O ATOM 1269 CB LYS A 107 9.840 10.591 10.352 1.00 70.51 C ATOM 1270 CG LYS A 107 10.233 10.876 11.791 1.00 64.10 C ATOM 1271 CD LYS A 107 9.014 11.110 12.666 1.00 30.03 C ATOM 1272 CE LYS A 107 8.254 9.817 12.919 1.00 32.42 C ATOM 1273 NZ LYS A 107 7.148 9.624 11.940 1.00 23.44 N ATOM 0 H LYS A 107 9.664 9.825 8.017 1.00 31.43 H new ATOM 0 HA LYS A 107 11.264 11.773 9.254 1.00 11.33 H new ATOM 0 HB2 LYS A 107 9.045 11.276 10.059 1.00 70.51 H new ATOM 0 HB3 LYS A 107 9.431 9.583 10.289 1.00 70.51 H new ATOM 0 HG2 LYS A 107 10.809 10.038 12.184 1.00 64.10 H new ATOM 0 HG3 LYS A 107 10.880 11.752 11.826 1.00 64.10 H new ATOM 0 HD2 LYS A 107 9.325 11.543 13.617 1.00 30.03 H new ATOM 0 HD3 LYS A 107 8.354 11.833 12.187 1.00 30.03 H new ATOM 0 HE2 LYS A 107 8.942 8.974 12.861 1.00 32.42 H new ATOM 0 HE3 LYS A 107 7.847 9.827 13.930 1.00 32.42 H new ATOM 0 HZ1 LYS A 107 6.234 9.738 12.422 1.00 23.44 H new ATOM 0 HZ2 LYS A 107 7.229 10.330 11.181 1.00 23.44 H new ATOM 0 HZ3 LYS A 107 7.208 8.669 11.532 1.00 23.44 H new ATOM 1287 N ALA A 108 12.482 8.801 9.309 1.00 14.34 N ATOM 1288 CA ALA A 108 13.619 7.986 9.718 1.00 52.43 C ATOM 1289 C ALA A 108 14.785 8.148 8.749 1.00 43.51 C ATOM 1290 O ALA A 108 15.940 8.244 9.164 1.00 70.50 O ATOM 1291 CB ALA A 108 13.212 6.524 9.817 1.00 74.15 C ATOM 0 H ALA A 108 11.924 8.399 8.556 1.00 14.34 H new ATOM 0 HA ALA A 108 13.946 8.328 10.700 1.00 52.43 H new ATOM 0 HB1 ALA A 108 14.071 5.927 10.123 1.00 74.15 H new ATOM 0 HB2 ALA A 108 12.415 6.417 10.553 1.00 74.15 H new ATOM 0 HB3 ALA A 108 12.858 6.178 8.846 1.00 74.15 H new ATOM 1297 N GLY A 109 14.477 8.179 7.457 1.00 53.14 N ATOM 1298 CA GLY A 109 15.510 8.328 6.449 1.00 2.12 C ATOM 1299 C GLY A 109 15.803 7.031 5.721 1.00 15.33 C ATOM 1300 O GLY A 109 16.863 6.878 5.113 1.00 74.32 O ATOM 0 H GLY A 109 13.529 8.103 7.089 1.00 53.14 H new ATOM 0 HA2 GLY A 109 15.202 9.084 5.727 1.00 2.12 H new ATOM 0 HA3 GLY A 109 16.423 8.690 6.920 1.00 2.12 H new ATOM 1304 N LEU A 110 14.863 6.095 5.784 1.00 53.01 N ATOM 1305 CA LEU A 110 15.025 4.802 5.127 1.00 43.32 C ATOM 1306 C LEU A 110 13.964 4.603 4.049 1.00 0.42 C ATOM 1307 O LEU A 110 12.797 4.943 4.242 1.00 73.33 O ATOM 1308 CB LEU A 110 14.945 3.672 6.154 1.00 15.31 C ATOM 1309 CG LEU A 110 15.915 3.765 7.332 1.00 31.14 C ATOM 1310 CD1 LEU A 110 17.288 4.216 6.859 1.00 55.11 C ATOM 1311 CD2 LEU A 110 15.376 4.713 8.393 1.00 53.42 C ATOM 0 H LEU A 110 13.981 6.207 6.283 1.00 53.01 H new ATOM 0 HA LEU A 110 16.006 4.783 4.653 1.00 43.32 H new ATOM 0 HB2 LEU A 110 13.929 3.637 6.548 1.00 15.31 H new ATOM 0 HB3 LEU A 110 15.120 2.727 5.639 1.00 15.31 H new ATOM 0 HG LEU A 110 16.014 2.774 7.775 1.00 31.14 H new ATOM 0 HD11 LEU A 110 17.965 4.276 7.711 1.00 55.11 H new ATOM 0 HD12 LEU A 110 17.678 3.499 6.136 1.00 55.11 H new ATOM 0 HD13 LEU A 110 17.207 5.196 6.390 1.00 55.11 H new ATOM 0 HD21 LEU A 110 16.079 4.767 9.224 1.00 53.42 H new ATOM 0 HD22 LEU A 110 15.247 5.706 7.962 1.00 53.42 H new ATOM 0 HD23 LEU A 110 14.415 4.346 8.754 1.00 53.42 H new ATOM 1323 N HIS A 111 14.378 4.048 2.915 1.00 71.25 N ATOM 1324 CA HIS A 111 13.462 3.800 1.807 1.00 42.42 C ATOM 1325 C HIS A 111 12.338 2.860 2.231 1.00 52.11 C ATOM 1326 O HIS A 111 12.183 2.556 3.413 1.00 14.34 O ATOM 1327 CB HIS A 111 14.216 3.206 0.616 1.00 5.32 C ATOM 1328 CG HIS A 111 14.064 3.999 -0.645 1.00 4.30 C ATOM 1329 ND1 HIS A 111 14.335 5.350 -0.723 1.00 71.33 N ATOM 1330 CD2 HIS A 111 13.668 3.624 -1.884 1.00 31.12 C ATOM 1331 CE1 HIS A 111 14.110 5.771 -1.955 1.00 23.43 C ATOM 1332 NE2 HIS A 111 13.705 4.743 -2.680 1.00 11.52 N ATOM 0 H HIS A 111 15.341 3.761 2.739 1.00 71.25 H new ATOM 0 HA HIS A 111 13.024 4.753 1.511 1.00 42.42 H new ATOM 0 HB2 HIS A 111 15.275 3.135 0.866 1.00 5.32 H new ATOM 0 HB3 HIS A 111 13.861 2.190 0.442 1.00 5.32 H new ATOM 0 HD2 HIS A 111 13.377 2.630 -2.190 1.00 31.12 H new ATOM 0 HE1 HIS A 111 14.236 6.783 -2.309 1.00 23.43 H new ATOM 0 HE2 HIS A 111 13.460 4.775 -3.670 1.00 11.52 H new ATOM 1340 N ALA A 112 11.556 2.403 1.258 1.00 52.53 N ATOM 1341 CA ALA A 112 10.448 1.497 1.530 1.00 21.14 C ATOM 1342 C ALA A 112 10.019 0.757 0.267 1.00 1.32 C ATOM 1343 O ALA A 112 10.346 1.169 -0.846 1.00 63.13 O ATOM 1344 CB ALA A 112 9.273 2.263 2.120 1.00 14.00 C ATOM 0 H ALA A 112 11.670 2.646 0.274 1.00 52.53 H new ATOM 0 HA ALA A 112 10.787 0.757 2.255 1.00 21.14 H new ATOM 0 HB1 ALA A 112 8.452 1.574 2.318 1.00 14.00 H new ATOM 0 HB2 ALA A 112 9.580 2.739 3.051 1.00 14.00 H new ATOM 0 HB3 ALA A 112 8.944 3.025 1.414 1.00 14.00 H new ATOM 1350 N LEU A 113 9.286 -0.335 0.448 1.00 73.14 N ATOM 1351 CA LEU A 113 8.813 -1.133 -0.679 1.00 64.10 C ATOM 1352 C LEU A 113 7.292 -1.248 -0.664 1.00 32.11 C ATOM 1353 O LEU A 113 6.705 -1.728 0.307 1.00 52.01 O ATOM 1354 CB LEU A 113 9.442 -2.527 -0.641 1.00 34.10 C ATOM 1355 CG LEU A 113 9.610 -3.150 0.745 1.00 4.22 C ATOM 1356 CD1 LEU A 113 9.514 -4.666 0.664 1.00 0.13 C ATOM 1357 CD2 LEU A 113 10.938 -2.731 1.360 1.00 0.20 C ATOM 0 H LEU A 113 9.006 -0.689 1.363 1.00 73.14 H new ATOM 0 HA LEU A 113 9.112 -0.631 -1.599 1.00 64.10 H new ATOM 0 HB2 LEU A 113 8.831 -3.196 -1.246 1.00 34.10 H new ATOM 0 HB3 LEU A 113 10.422 -2.474 -1.115 1.00 34.10 H new ATOM 0 HG LEU A 113 8.805 -2.789 1.385 1.00 4.22 H new ATOM 0 HD11 LEU A 113 9.636 -5.092 1.660 1.00 0.13 H new ATOM 0 HD12 LEU A 113 8.539 -4.948 0.265 1.00 0.13 H new ATOM 0 HD13 LEU A 113 10.298 -5.046 0.009 1.00 0.13 H new ATOM 0 HD21 LEU A 113 11.041 -3.183 2.346 1.00 0.20 H new ATOM 0 HD22 LEU A 113 11.756 -3.064 0.721 1.00 0.20 H new ATOM 0 HD23 LEU A 113 10.969 -1.645 1.454 1.00 0.20 H new ATOM 1369 N SER A 114 6.659 -0.807 -1.746 1.00 2.32 N ATOM 1370 CA SER A 114 5.207 -0.859 -1.857 1.00 11.54 C ATOM 1371 C SER A 114 4.779 -1.835 -2.949 1.00 1.11 C ATOM 1372 O SER A 114 5.317 -1.819 -4.056 1.00 22.22 O ATOM 1373 CB SER A 114 4.647 0.534 -2.155 1.00 72.42 C ATOM 1374 OG SER A 114 4.270 0.652 -3.516 1.00 62.25 O ATOM 0 H SER A 114 7.130 -0.409 -2.559 1.00 2.32 H new ATOM 0 HA SER A 114 4.807 -1.208 -0.905 1.00 11.54 H new ATOM 0 HB2 SER A 114 3.784 0.726 -1.517 1.00 72.42 H new ATOM 0 HB3 SER A 114 5.395 1.289 -1.915 1.00 72.42 H new ATOM 0 HG SER A 114 3.914 1.550 -3.680 1.00 62.25 H new ATOM 1380 N MET A 115 3.809 -2.683 -2.627 1.00 71.45 N ATOM 1381 CA MET A 115 3.308 -3.667 -3.581 1.00 13.24 C ATOM 1382 C MET A 115 1.800 -3.847 -3.434 1.00 51.44 C ATOM 1383 O MET A 115 1.310 -4.229 -2.371 1.00 61.13 O ATOM 1384 CB MET A 115 4.015 -5.009 -3.381 1.00 34.44 C ATOM 1385 CG MET A 115 4.155 -5.410 -1.922 1.00 21.04 C ATOM 1386 SD MET A 115 4.997 -6.991 -1.714 1.00 24.02 S ATOM 1387 CE MET A 115 6.541 -6.458 -0.978 1.00 61.31 C ATOM 0 H MET A 115 3.354 -2.710 -1.714 1.00 71.45 H new ATOM 0 HA MET A 115 3.517 -3.301 -4.586 1.00 13.24 H new ATOM 0 HB2 MET A 115 3.462 -5.784 -3.911 1.00 34.44 H new ATOM 0 HB3 MET A 115 5.006 -4.959 -3.832 1.00 34.44 H new ATOM 0 HG2 MET A 115 4.706 -4.636 -1.388 1.00 21.04 H new ATOM 0 HG3 MET A 115 3.166 -5.467 -1.468 1.00 21.04 H new ATOM 0 HE1 MET A 115 7.173 -7.326 -0.789 1.00 61.31 H new ATOM 0 HE2 MET A 115 7.053 -5.778 -1.659 1.00 61.31 H new ATOM 0 HE3 MET A 115 6.338 -5.945 -0.038 1.00 61.31 H new ATOM 1397 N THR A 116 1.069 -3.569 -4.510 1.00 34.43 N ATOM 1398 CA THR A 116 -0.383 -3.699 -4.500 1.00 1.53 C ATOM 1399 C THR A 116 -0.856 -4.660 -5.584 1.00 75.12 C ATOM 1400 O THR A 116 -0.549 -4.483 -6.763 1.00 51.01 O ATOM 1401 CB THR A 116 -1.071 -2.336 -4.703 1.00 10.24 C ATOM 1402 OG1 THR A 116 -1.290 -2.100 -6.099 1.00 4.04 O ATOM 1403 CG2 THR A 116 -0.227 -1.212 -4.120 1.00 42.31 C ATOM 0 H THR A 116 1.459 -3.253 -5.398 1.00 34.43 H new ATOM 0 HA THR A 116 -0.658 -4.094 -3.522 1.00 1.53 H new ATOM 0 HB THR A 116 -2.029 -2.357 -4.184 1.00 10.24 H new ATOM 0 HG1 THR A 116 -1.099 -1.161 -6.306 1.00 4.04 H new ATOM 0 HG21 THR A 116 -0.733 -0.259 -4.275 1.00 42.31 H new ATOM 0 HG22 THR A 116 -0.087 -1.379 -3.052 1.00 42.31 H new ATOM 0 HG23 THR A 116 0.744 -1.192 -4.615 1.00 42.31 H new ATOM 1411 N THR A 117 -1.608 -5.680 -5.179 1.00 2.42 N ATOM 1412 CA THR A 117 -2.123 -6.670 -6.116 1.00 11.23 C ATOM 1413 C THR A 117 -3.646 -6.721 -6.079 1.00 33.52 C ATOM 1414 O THR A 117 -4.239 -7.164 -5.094 1.00 52.35 O ATOM 1415 CB THR A 117 -1.565 -8.073 -5.813 1.00 13.31 C ATOM 1416 OG1 THR A 117 -2.304 -9.060 -6.541 1.00 63.44 O ATOM 1417 CG2 THR A 117 -1.637 -8.375 -4.324 1.00 53.50 C ATOM 0 H THR A 117 -1.873 -5.841 -4.207 1.00 2.42 H new ATOM 0 HA THR A 117 -1.797 -6.365 -7.110 1.00 11.23 H new ATOM 0 HB THR A 117 -0.520 -8.099 -6.122 1.00 13.31 H new ATOM 0 HG1 THR A 117 -1.943 -9.950 -6.345 1.00 63.44 H new ATOM 0 HG21 THR A 117 -1.237 -9.371 -4.135 1.00 53.50 H new ATOM 0 HG22 THR A 117 -1.051 -7.639 -3.775 1.00 53.50 H new ATOM 0 HG23 THR A 117 -2.675 -8.332 -3.994 1.00 53.50 H new ATOM 1425 N LYS A 118 -4.276 -6.266 -7.156 1.00 62.20 N ATOM 1426 CA LYS A 118 -5.730 -6.263 -7.249 1.00 12.33 C ATOM 1427 C LYS A 118 -6.192 -6.781 -8.607 1.00 45.52 C ATOM 1428 O LYS A 118 -5.562 -6.513 -9.632 1.00 4.10 O ATOM 1429 CB LYS A 118 -6.273 -4.850 -7.019 1.00 2.01 C ATOM 1430 CG LYS A 118 -7.787 -4.761 -7.089 1.00 55.44 C ATOM 1431 CD LYS A 118 -8.243 -3.942 -8.285 1.00 1.31 C ATOM 1432 CE LYS A 118 -9.661 -4.304 -8.701 1.00 10.22 C ATOM 1433 NZ LYS A 118 -10.073 -3.594 -9.943 1.00 42.03 N ATOM 0 H LYS A 118 -3.801 -5.894 -7.978 1.00 62.20 H new ATOM 0 HA LYS A 118 -6.119 -6.927 -6.477 1.00 12.33 H new ATOM 0 HB2 LYS A 118 -5.942 -4.497 -6.042 1.00 2.01 H new ATOM 0 HB3 LYS A 118 -5.843 -4.179 -7.763 1.00 2.01 H new ATOM 0 HG2 LYS A 118 -8.209 -5.764 -7.152 1.00 55.44 H new ATOM 0 HG3 LYS A 118 -8.169 -4.312 -6.172 1.00 55.44 H new ATOM 0 HD2 LYS A 118 -8.194 -2.881 -8.041 1.00 1.31 H new ATOM 0 HD3 LYS A 118 -7.564 -4.108 -9.121 1.00 1.31 H new ATOM 0 HE2 LYS A 118 -9.730 -5.380 -8.858 1.00 10.22 H new ATOM 0 HE3 LYS A 118 -10.351 -4.055 -7.895 1.00 10.22 H new ATOM 0 HZ1 LYS A 118 -11.103 -3.675 -10.064 1.00 42.03 H new ATOM 0 HZ2 LYS A 118 -9.811 -2.590 -9.872 1.00 42.03 H new ATOM 0 HZ3 LYS A 118 -9.594 -4.020 -10.762 1.00 42.03 H new ATOM 1447 N THR A 119 -7.295 -7.522 -8.611 1.00 4.44 N ATOM 1448 CA THR A 119 -7.840 -8.076 -9.843 1.00 52.52 C ATOM 1449 C THR A 119 -7.996 -6.997 -10.909 1.00 60.45 C ATOM 1450 O THR A 119 -8.055 -5.803 -10.615 1.00 20.14 O ATOM 1451 CB THR A 119 -9.206 -8.745 -9.603 1.00 1.24 C ATOM 1452 OG1 THR A 119 -9.930 -8.031 -8.594 1.00 22.43 O ATOM 1453 CG2 THR A 119 -9.030 -10.195 -9.178 1.00 35.43 C ATOM 0 H THR A 119 -7.829 -7.752 -7.773 1.00 4.44 H new ATOM 0 HA THR A 119 -7.132 -8.828 -10.191 1.00 52.52 H new ATOM 0 HB THR A 119 -9.767 -8.722 -10.537 1.00 1.24 H new ATOM 0 HG1 THR A 119 -9.714 -8.401 -7.713 1.00 22.43 H new ATOM 0 HG21 THR A 119 -10.008 -10.647 -9.014 1.00 35.43 H new ATOM 0 HG22 THR A 119 -8.504 -10.742 -9.960 1.00 35.43 H new ATOM 0 HG23 THR A 119 -8.452 -10.236 -8.255 1.00 35.43 H new ATOM 1461 N PRO A 120 -8.066 -7.425 -12.179 1.00 45.12 N ATOM 1462 CA PRO A 120 -8.217 -6.511 -13.314 1.00 41.33 C ATOM 1463 C PRO A 120 -9.596 -5.861 -13.355 1.00 41.42 C ATOM 1464 O PRO A 120 -10.391 -6.011 -12.429 1.00 64.50 O ATOM 1465 CB PRO A 120 -8.019 -7.420 -14.530 1.00 60.25 C ATOM 1466 CG PRO A 120 -8.397 -8.779 -14.053 1.00 33.05 C ATOM 1467 CD PRO A 120 -8.001 -8.833 -12.604 1.00 33.44 C ATOM 0 HA PRO A 120 -7.512 -5.681 -13.265 1.00 41.33 H new ATOM 0 HB2 PRO A 120 -8.645 -7.106 -15.365 1.00 60.25 H new ATOM 0 HB3 PRO A 120 -6.986 -7.396 -14.878 1.00 60.25 H new ATOM 0 HG2 PRO A 120 -9.467 -8.951 -14.172 1.00 33.05 H new ATOM 0 HG3 PRO A 120 -7.884 -9.551 -14.627 1.00 33.05 H new ATOM 0 HD2 PRO A 120 -8.680 -9.459 -12.025 1.00 33.44 H new ATOM 0 HD3 PRO A 120 -7.000 -9.245 -12.476 1.00 33.44 H new ATOM 1475 N ALA A 121 -9.871 -5.136 -14.435 1.00 41.21 N ATOM 1476 CA ALA A 121 -11.155 -4.464 -14.597 1.00 32.43 C ATOM 1477 C ALA A 121 -12.024 -5.182 -15.624 1.00 44.04 C ATOM 1478 O ALA A 121 -13.238 -4.987 -15.667 1.00 72.00 O ATOM 1479 CB ALA A 121 -10.944 -3.013 -15.002 1.00 60.12 C ATOM 0 H ALA A 121 -9.222 -4.999 -15.210 1.00 41.21 H new ATOM 0 HA ALA A 121 -11.674 -4.490 -13.639 1.00 32.43 H new ATOM 0 HB1 ALA A 121 -11.911 -2.524 -15.119 1.00 60.12 H new ATOM 0 HB2 ALA A 121 -10.369 -2.500 -14.231 1.00 60.12 H new ATOM 0 HB3 ALA A 121 -10.401 -2.974 -15.946 1.00 60.12 H new ATOM 1485 N GLU A 122 -11.393 -6.010 -16.450 1.00 72.35 N ATOM 1486 CA GLU A 122 -12.111 -6.754 -17.480 1.00 25.12 C ATOM 1487 C GLU A 122 -11.888 -8.255 -17.319 1.00 62.32 C ATOM 1488 O GLU A 122 -10.752 -8.717 -17.211 1.00 55.21 O ATOM 1489 CB GLU A 122 -11.660 -6.307 -18.872 1.00 2.24 C ATOM 1490 CG GLU A 122 -12.638 -6.674 -19.975 1.00 2.14 C ATOM 1491 CD GLU A 122 -12.226 -7.924 -20.727 1.00 45.24 C ATOM 1492 OE1 GLU A 122 -11.988 -8.960 -20.073 1.00 63.32 O ATOM 1493 OE2 GLU A 122 -12.142 -7.866 -21.972 1.00 43.01 O ATOM 0 H GLU A 122 -10.388 -6.183 -16.427 1.00 72.35 H new ATOM 0 HA GLU A 122 -13.175 -6.547 -17.368 1.00 25.12 H new ATOM 0 HB2 GLU A 122 -11.517 -5.226 -18.869 1.00 2.24 H new ATOM 0 HB3 GLU A 122 -10.691 -6.756 -19.093 1.00 2.24 H new ATOM 0 HG2 GLU A 122 -13.628 -6.824 -19.543 1.00 2.14 H new ATOM 0 HG3 GLU A 122 -12.718 -5.843 -20.676 1.00 2.14 H new ATOM 1500 N GLN A 123 -12.981 -9.011 -17.304 1.00 73.23 N ATOM 1501 CA GLN A 123 -12.905 -10.460 -17.156 1.00 73.51 C ATOM 1502 C GLN A 123 -14.113 -11.137 -17.797 1.00 11.14 C ATOM 1503 O GLN A 123 -14.006 -12.234 -18.345 1.00 25.34 O ATOM 1504 CB GLN A 123 -12.818 -10.839 -15.677 1.00 13.43 C ATOM 1505 CG GLN A 123 -12.176 -12.195 -15.433 1.00 53.41 C ATOM 1506 CD GLN A 123 -12.489 -12.749 -14.057 1.00 63.31 C ATOM 1507 OE1 GLN A 123 -13.343 -12.223 -13.342 1.00 64.30 O ATOM 1508 NE2 GLN A 123 -11.798 -13.818 -13.678 1.00 23.40 N ATOM 0 H GLN A 123 -13.929 -8.645 -17.392 1.00 73.23 H new ATOM 0 HA GLN A 123 -12.005 -10.805 -17.665 1.00 73.51 H new ATOM 0 HB2 GLN A 123 -12.247 -10.076 -15.148 1.00 13.43 H new ATOM 0 HB3 GLN A 123 -13.821 -10.839 -15.251 1.00 13.43 H new ATOM 0 HG2 GLN A 123 -12.521 -12.898 -16.191 1.00 53.41 H new ATOM 0 HG3 GLN A 123 -11.096 -12.107 -15.548 1.00 53.41 H new ATOM 0 HE21 GLN A 123 -11.100 -14.222 -14.302 1.00 23.40 H new ATOM 0 HE22 GLN A 123 -11.966 -14.235 -12.763 1.00 23.40 H new TER 1517 GLN A 123