USER MOD reduce.3.24.130724 H: found=0, std=0, add=981, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 980 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 49 GLN : amide:sc= -0.439 X(o=-1.2,f=-1.1) USER MOD Set 1.2: A 64 ASN : amide:sc= -0.773 K(o=-1.2,f=-5!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 70:sc= 0 USER MOD Single : A 17 SER OG : rot 34:sc= 0.811 USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= -1.03 (180deg=-2.1!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 164:sc= -0.018 (180deg=-0.209) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc=-0.00957 (180deg=-0.152) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HE2:sc= -3.49! C(o=-3.5!,f=-4.5!) USER MOD Single : A 41 LYS NZ :NH3+ -147:sc= -2.18 (180deg=-4.37) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.71) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -110:sc= -0.148 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.27) USER MOD Single : A 60 ASN : amide:sc= -2.83! C(o=-2.8!,f=-7.2!) USER MOD Single : A 70 ASN : amide:sc= -1.01 K(o=-1,f=-0.12) USER MOD Single : A 71 MET CE :methyl 173:sc= -0.0111 (180deg=-0.0705) USER MOD Single : A 73 CYS SG : rot 30:sc= -0.897 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.649 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.834 K(o=-0.83,f=-4.1!) USER MOD Single : A 80 ASN : amide:sc= -0.987 K(o=-0.99,f=-0.31) USER MOD Single : A 85 CYS SG : rot 25:sc= 0.299 USER MOD Single : A 88 ASN : amide:sc= -0.0484 K(o=-0.048,f=-0.94) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.802 K(o=-0.8,f=-2.2!) USER MOD Single : A 97 THR OG1 : rot 91:sc= 0.739 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 165:sc= -0.773 (180deg=-1.08) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 170:sc= -0.56 USER MOD Single : A 109 SER OG : rot 78:sc= 0.771 USER MOD Single : A 116 HIS : no HE2:sc= -2.22! C(o=-2.2!,f=-3.7!) USER MOD Single : A 117 LYS NZ :NH3+ 160:sc= -0.0316 (180deg=-0.304) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 8 -2.960 15.351 -20.252 1.00 0.00 N ATOM 2 CA GLU A 8 -2.830 13.928 -20.541 1.00 0.00 C ATOM 3 C GLU A 8 -1.463 13.617 -21.143 1.00 0.00 C ATOM 4 O GLU A 8 -1.333 12.742 -21.999 1.00 0.00 O ATOM 5 CB GLU A 8 -3.936 13.476 -21.497 1.00 0.00 C ATOM 6 CG GLU A 8 -5.337 13.774 -20.992 1.00 0.00 C ATOM 7 CD GLU A 8 -6.409 13.436 -22.010 1.00 0.00 C ATOM 8 OE1 GLU A 8 -6.264 13.841 -23.182 1.00 0.00 O ATOM 9 OE2 GLU A 8 -7.393 12.765 -21.634 1.00 0.00 O ATOM 0 HA GLU A 8 -2.926 13.383 -19.602 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.794 13.966 -22.460 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.841 12.404 -21.668 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.518 13.208 -20.078 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.408 14.830 -20.732 1.00 0.00 H new ATOM 16 N VAL A 9 -0.445 14.342 -20.690 1.00 0.00 N ATOM 17 CA VAL A 9 0.913 14.145 -21.183 1.00 0.00 C ATOM 18 C VAL A 9 1.779 13.444 -20.143 1.00 0.00 C ATOM 19 O VAL A 9 3.007 13.462 -20.226 1.00 0.00 O ATOM 20 CB VAL A 9 1.572 15.484 -21.565 1.00 0.00 C ATOM 21 CG1 VAL A 9 1.823 16.328 -20.325 1.00 0.00 C ATOM 22 CG2 VAL A 9 2.866 15.242 -22.327 1.00 0.00 C ATOM 0 H VAL A 9 -0.535 15.071 -19.982 1.00 0.00 H new ATOM 0 HA VAL A 9 0.839 13.519 -22.072 1.00 0.00 H new ATOM 0 HB VAL A 9 0.891 16.032 -22.216 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.289 17.270 -20.614 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.876 16.530 -19.825 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.484 15.790 -19.646 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.318 16.199 -22.589 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.555 14.674 -21.702 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.653 14.680 -23.236 1.00 0.00 H new ATOM 32 N LYS A 10 1.130 12.825 -19.162 1.00 0.00 N ATOM 33 CA LYS A 10 1.840 12.115 -18.104 1.00 0.00 C ATOM 34 C LYS A 10 2.446 10.818 -18.631 1.00 0.00 C ATOM 35 O LYS A 10 1.759 10.009 -19.253 1.00 0.00 O ATOM 36 CB LYS A 10 0.892 11.811 -16.941 1.00 0.00 C ATOM 37 CG LYS A 10 1.584 11.760 -15.590 1.00 0.00 C ATOM 38 CD LYS A 10 1.605 13.125 -14.923 1.00 0.00 C ATOM 39 CE LYS A 10 2.640 14.040 -15.558 1.00 0.00 C ATOM 40 NZ LYS A 10 2.893 15.251 -14.729 1.00 0.00 N ATOM 0 H LYS A 10 0.114 12.801 -19.078 1.00 0.00 H new ATOM 0 HA LYS A 10 2.648 12.755 -17.749 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.111 12.571 -16.911 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.400 10.856 -17.124 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.072 11.046 -14.945 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.605 11.400 -15.716 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.619 13.583 -14.998 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.823 13.009 -13.861 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.573 13.493 -15.696 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.299 14.342 -16.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.604 15.849 -15.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.009 15.787 -14.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.243 14.964 -13.793 1.00 0.00 H new ATOM 54 N GLU A 11 3.737 10.628 -18.377 1.00 0.00 N ATOM 55 CA GLU A 11 4.435 9.429 -18.827 1.00 0.00 C ATOM 56 C GLU A 11 4.160 8.256 -17.890 1.00 0.00 C ATOM 57 O GLU A 11 4.699 7.165 -18.071 1.00 0.00 O ATOM 58 CB GLU A 11 5.941 9.689 -18.909 1.00 0.00 C ATOM 59 CG GLU A 11 6.685 8.686 -19.774 1.00 0.00 C ATOM 60 CD GLU A 11 6.449 8.906 -21.256 1.00 0.00 C ATOM 61 OE1 GLU A 11 5.284 9.132 -21.644 1.00 0.00 O ATOM 62 OE2 GLU A 11 7.430 8.851 -22.028 1.00 0.00 O ATOM 0 H GLU A 11 4.320 11.288 -17.863 1.00 0.00 H new ATOM 0 HA GLU A 11 4.063 9.174 -19.819 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.107 10.691 -19.304 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.360 9.670 -17.903 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.753 8.754 -19.566 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.371 7.677 -19.506 1.00 0.00 H new ATOM 69 N GLU A 12 3.319 8.492 -16.887 1.00 0.00 N ATOM 70 CA GLU A 12 2.975 7.456 -15.921 1.00 0.00 C ATOM 71 C GLU A 12 1.511 7.568 -15.502 1.00 0.00 C ATOM 72 O GLU A 12 0.925 8.649 -15.539 1.00 0.00 O ATOM 73 CB GLU A 12 3.878 7.555 -14.690 1.00 0.00 C ATOM 74 CG GLU A 12 3.774 8.885 -13.964 1.00 0.00 C ATOM 75 CD GLU A 12 4.751 9.917 -14.494 1.00 0.00 C ATOM 76 OE1 GLU A 12 5.807 9.514 -15.027 1.00 0.00 O ATOM 77 OE2 GLU A 12 4.462 11.125 -14.375 1.00 0.00 O ATOM 0 H GLU A 12 2.864 9.390 -16.723 1.00 0.00 H new ATOM 0 HA GLU A 12 3.126 6.487 -16.396 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.624 6.752 -13.998 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.912 7.397 -14.995 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.758 9.269 -14.060 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.957 8.730 -12.901 1.00 0.00 H new ATOM 84 N ASP A 13 0.929 6.442 -15.105 1.00 0.00 N ATOM 85 CA ASP A 13 -0.466 6.412 -14.679 1.00 0.00 C ATOM 86 C ASP A 13 -0.600 6.861 -13.227 1.00 0.00 C ATOM 87 O ASP A 13 -1.490 7.640 -12.887 1.00 0.00 O ATOM 88 CB ASP A 13 -1.042 5.005 -14.846 1.00 0.00 C ATOM 89 CG ASP A 13 -1.068 4.559 -16.294 1.00 0.00 C ATOM 90 OD1 ASP A 13 -1.990 4.974 -17.028 1.00 0.00 O ATOM 91 OD2 ASP A 13 -0.166 3.795 -16.695 1.00 0.00 O ATOM 0 H ASP A 13 1.401 5.538 -15.069 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.028 7.103 -15.308 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.449 4.301 -14.263 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.054 4.980 -14.443 1.00 0.00 H new ATOM 96 N ALA A 14 0.290 6.363 -12.374 1.00 0.00 N ATOM 97 CA ALA A 14 0.272 6.713 -10.960 1.00 0.00 C ATOM 98 C ALA A 14 0.901 8.082 -10.725 1.00 0.00 C ATOM 99 O ALA A 14 2.078 8.293 -11.017 1.00 0.00 O ATOM 100 CB ALA A 14 0.994 5.651 -10.144 1.00 0.00 C ATOM 0 H ALA A 14 1.032 5.716 -12.639 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.768 6.760 -10.636 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.973 5.926 -9.089 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.499 4.689 -10.279 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.029 5.576 -10.479 1.00 0.00 H new ATOM 106 N PHE A 15 0.110 9.009 -10.196 1.00 0.00 N ATOM 107 CA PHE A 15 0.590 10.359 -9.923 1.00 0.00 C ATOM 108 C PHE A 15 1.782 10.330 -8.971 1.00 0.00 C ATOM 109 O PHE A 15 2.792 10.994 -9.203 1.00 0.00 O ATOM 110 CB PHE A 15 -0.533 11.212 -9.328 1.00 0.00 C ATOM 111 CG PHE A 15 -1.172 10.599 -8.115 1.00 0.00 C ATOM 112 CD1 PHE A 15 -2.246 9.734 -8.243 1.00 0.00 C ATOM 113 CD2 PHE A 15 -0.698 10.888 -6.845 1.00 0.00 C ATOM 114 CE1 PHE A 15 -2.837 9.170 -7.128 1.00 0.00 C ATOM 115 CE2 PHE A 15 -1.284 10.326 -5.726 1.00 0.00 C ATOM 116 CZ PHE A 15 -2.354 9.465 -5.868 1.00 0.00 C ATOM 0 H PHE A 15 -0.867 8.850 -9.948 1.00 0.00 H new ATOM 0 HA PHE A 15 0.912 10.801 -10.866 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.134 12.191 -9.063 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.297 11.375 -10.088 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.626 9.497 -9.226 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.139 11.560 -6.728 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.676 8.499 -7.242 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.905 10.560 -4.742 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.812 9.023 -4.996 1.00 0.00 H new ATOM 126 N TYR A 16 1.656 9.557 -7.898 1.00 0.00 N ATOM 127 CA TYR A 16 2.720 9.444 -6.908 1.00 0.00 C ATOM 128 C TYR A 16 3.494 8.141 -7.087 1.00 0.00 C ATOM 129 O TYR A 16 2.910 7.058 -7.108 1.00 0.00 O ATOM 130 CB TYR A 16 2.141 9.516 -5.494 1.00 0.00 C ATOM 131 CG TYR A 16 3.186 9.426 -4.406 1.00 0.00 C ATOM 132 CD1 TYR A 16 4.116 10.442 -4.222 1.00 0.00 C ATOM 133 CD2 TYR A 16 3.244 8.325 -3.560 1.00 0.00 C ATOM 134 CE1 TYR A 16 5.073 10.363 -3.230 1.00 0.00 C ATOM 135 CE2 TYR A 16 4.197 8.239 -2.564 1.00 0.00 C ATOM 136 CZ TYR A 16 5.109 9.260 -2.403 1.00 0.00 C ATOM 137 OH TYR A 16 6.061 9.179 -1.412 1.00 0.00 O ATOM 0 H TYR A 16 0.827 8.999 -7.692 1.00 0.00 H new ATOM 0 HA TYR A 16 3.407 10.277 -7.054 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.592 10.451 -5.382 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.422 8.707 -5.363 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.090 11.308 -4.866 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.532 7.523 -3.683 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.790 11.161 -3.102 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.227 7.376 -1.915 1.00 0.00 H new ATOM 0 HH TYR A 16 5.863 9.837 -0.713 1.00 0.00 H new ATOM 147 N SER A 17 4.812 8.256 -7.215 1.00 0.00 N ATOM 148 CA SER A 17 5.667 7.089 -7.395 1.00 0.00 C ATOM 149 C SER A 17 6.965 7.240 -6.608 1.00 0.00 C ATOM 150 O SER A 17 7.814 8.068 -6.940 1.00 0.00 O ATOM 151 CB SER A 17 5.978 6.882 -8.878 1.00 0.00 C ATOM 152 OG SER A 17 6.711 7.975 -9.403 1.00 0.00 O ATOM 0 H SER A 17 5.311 9.146 -7.197 1.00 0.00 H new ATOM 0 HA SER A 17 5.133 6.217 -7.018 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.548 5.962 -9.008 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.048 6.763 -9.434 1.00 0.00 H new ATOM 0 HG SER A 17 7.306 8.332 -8.711 1.00 0.00 H new ATOM 158 N LYS A 18 7.113 6.433 -5.562 1.00 0.00 N ATOM 159 CA LYS A 18 8.307 6.474 -4.727 1.00 0.00 C ATOM 160 C LYS A 18 8.705 5.072 -4.278 1.00 0.00 C ATOM 161 O LYS A 18 7.887 4.325 -3.741 1.00 0.00 O ATOM 162 CB LYS A 18 8.070 7.364 -3.505 1.00 0.00 C ATOM 163 CG LYS A 18 9.316 7.593 -2.667 1.00 0.00 C ATOM 164 CD LYS A 18 10.352 8.409 -3.420 1.00 0.00 C ATOM 165 CE LYS A 18 11.200 9.244 -2.472 1.00 0.00 C ATOM 166 NZ LYS A 18 10.461 10.436 -1.971 1.00 0.00 N ATOM 0 H LYS A 18 6.420 5.743 -5.273 1.00 0.00 H new ATOM 0 HA LYS A 18 9.120 6.891 -5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.684 8.328 -3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.300 6.911 -2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.046 8.108 -1.745 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.745 6.633 -2.382 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.995 7.742 -3.994 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.852 9.063 -4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.513 8.630 -1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.106 9.567 -2.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.135 11.121 -1.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.942 10.878 -2.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.789 10.143 -1.233 1.00 0.00 H new ATOM 180 N LYS A 19 9.967 4.721 -4.498 1.00 0.00 N ATOM 181 CA LYS A 19 10.476 3.409 -4.114 1.00 0.00 C ATOM 182 C LYS A 19 10.564 3.283 -2.596 1.00 0.00 C ATOM 183 O LYS A 19 10.942 4.230 -1.906 1.00 0.00 O ATOM 184 CB LYS A 19 11.853 3.171 -4.737 1.00 0.00 C ATOM 185 CG LYS A 19 13.003 3.674 -3.881 1.00 0.00 C ATOM 186 CD LYS A 19 13.025 5.192 -3.814 1.00 0.00 C ATOM 187 CE LYS A 19 13.618 5.797 -5.078 1.00 0.00 C ATOM 188 NZ LYS A 19 15.106 5.795 -5.048 1.00 0.00 N ATOM 0 H LYS A 19 10.657 5.327 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 19 9.782 2.655 -4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.983 2.103 -4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.893 3.662 -5.709 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.914 3.266 -2.874 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.947 3.313 -4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.011 5.566 -3.671 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.607 5.511 -2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.271 5.236 -5.946 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.258 6.819 -5.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.471 6.215 -5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.438 6.351 -4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.450 4.817 -4.962 1.00 0.00 H new ATOM 202 N CYS A 20 10.214 2.109 -2.084 1.00 0.00 N ATOM 203 CA CYS A 20 10.254 1.859 -0.647 1.00 0.00 C ATOM 204 C CYS A 20 10.146 0.367 -0.352 1.00 0.00 C ATOM 205 O CYS A 20 9.910 -0.440 -1.251 1.00 0.00 O ATOM 206 CB CYS A 20 9.124 2.613 0.054 1.00 0.00 C ATOM 207 SG CYS A 20 7.466 2.086 -0.440 1.00 0.00 S ATOM 0 H CYS A 20 9.899 1.315 -2.642 1.00 0.00 H new ATOM 0 HA CYS A 20 11.211 2.218 -0.267 1.00 0.00 H new ATOM 0 HB2 CYS A 20 9.229 2.483 1.131 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.231 3.678 -0.151 1.00 0.00 H new ATOM 0 HG CYS A 20 6.579 2.780 0.209 1.00 0.00 H new ATOM 213 N LYS A 21 10.322 0.005 0.915 1.00 0.00 N ATOM 214 CA LYS A 21 10.245 -1.390 1.331 1.00 0.00 C ATOM 215 C LYS A 21 8.946 -1.663 2.082 1.00 0.00 C ATOM 216 O LYS A 21 8.324 -0.746 2.622 1.00 0.00 O ATOM 217 CB LYS A 21 11.442 -1.747 2.214 1.00 0.00 C ATOM 218 CG LYS A 21 12.666 -2.189 1.431 1.00 0.00 C ATOM 219 CD LYS A 21 13.932 -2.075 2.263 1.00 0.00 C ATOM 220 CE LYS A 21 15.179 -2.157 1.396 1.00 0.00 C ATOM 221 NZ LYS A 21 16.346 -2.691 2.151 1.00 0.00 N ATOM 0 H LYS A 21 10.519 0.660 1.672 1.00 0.00 H new ATOM 0 HA LYS A 21 10.264 -2.012 0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.704 -0.882 2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.152 -2.544 2.899 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.536 -3.221 1.104 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.764 -1.579 0.533 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.927 -1.130 2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.952 -2.871 3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.981 -2.795 0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.419 -1.166 1.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.176 -2.731 1.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.551 -2.069 2.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.127 -3.647 2.498 1.00 0.00 H new ATOM 235 N LEU A 22 8.541 -2.928 2.115 1.00 0.00 N ATOM 236 CA LEU A 22 7.316 -3.322 2.802 1.00 0.00 C ATOM 237 C LEU A 22 7.610 -4.341 3.898 1.00 0.00 C ATOM 238 O LEU A 22 8.392 -5.271 3.701 1.00 0.00 O ATOM 239 CB LEU A 22 6.312 -3.903 1.805 1.00 0.00 C ATOM 240 CG LEU A 22 5.442 -2.890 1.060 1.00 0.00 C ATOM 241 CD1 LEU A 22 4.419 -3.603 0.190 1.00 0.00 C ATOM 242 CD2 LEU A 22 4.751 -1.957 2.044 1.00 0.00 C ATOM 0 H LEU A 22 9.043 -3.698 1.674 1.00 0.00 H new ATOM 0 HA LEU A 22 6.886 -2.433 3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.860 -4.491 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.657 -4.591 2.339 1.00 0.00 H new ATOM 0 HG LEU A 22 6.085 -2.293 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.809 -2.866 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.934 -4.230 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.779 -4.225 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.136 -1.242 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.120 -2.539 2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.501 -1.420 2.625 1.00 0.00 H new ATOM 254 N PHE A 23 6.976 -4.161 5.052 1.00 0.00 N ATOM 255 CA PHE A 23 7.169 -5.066 6.179 1.00 0.00 C ATOM 256 C PHE A 23 5.852 -5.314 6.909 1.00 0.00 C ATOM 257 O PHE A 23 4.970 -4.454 6.931 1.00 0.00 O ATOM 258 CB PHE A 23 8.203 -4.493 7.150 1.00 0.00 C ATOM 259 CG PHE A 23 9.517 -4.164 6.501 1.00 0.00 C ATOM 260 CD1 PHE A 23 10.493 -5.136 6.351 1.00 0.00 C ATOM 261 CD2 PHE A 23 9.776 -2.883 6.041 1.00 0.00 C ATOM 262 CE1 PHE A 23 11.703 -4.837 5.754 1.00 0.00 C ATOM 263 CE2 PHE A 23 10.984 -2.578 5.443 1.00 0.00 C ATOM 264 CZ PHE A 23 11.949 -3.556 5.300 1.00 0.00 C ATOM 0 H PHE A 23 6.324 -3.397 5.231 1.00 0.00 H new ATOM 0 HA PHE A 23 7.534 -6.017 5.791 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.798 -3.591 7.609 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.373 -5.211 7.953 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.306 -6.139 6.705 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.025 -2.114 6.151 1.00 0.00 H new ATOM 0 HE1 PHE A 23 12.455 -5.604 5.643 1.00 0.00 H new ATOM 0 HE2 PHE A 23 11.173 -1.576 5.088 1.00 0.00 H new ATOM 0 HZ PHE A 23 12.894 -3.319 4.834 1.00 0.00 H new ATOM 274 N TYR A 24 5.726 -6.494 7.505 1.00 0.00 N ATOM 275 CA TYR A 24 4.516 -6.857 8.233 1.00 0.00 C ATOM 276 C TYR A 24 4.859 -7.505 9.571 1.00 0.00 C ATOM 277 O TYR A 24 5.963 -8.017 9.762 1.00 0.00 O ATOM 278 CB TYR A 24 3.659 -7.810 7.398 1.00 0.00 C ATOM 279 CG TYR A 24 4.450 -8.922 6.746 1.00 0.00 C ATOM 280 CD1 TYR A 24 5.008 -9.942 7.506 1.00 0.00 C ATOM 281 CD2 TYR A 24 4.639 -8.951 5.370 1.00 0.00 C ATOM 282 CE1 TYR A 24 5.732 -10.959 6.915 1.00 0.00 C ATOM 283 CE2 TYR A 24 5.360 -9.965 4.770 1.00 0.00 C ATOM 284 CZ TYR A 24 5.905 -10.967 5.546 1.00 0.00 C ATOM 285 OH TYR A 24 6.625 -11.978 4.953 1.00 0.00 O ATOM 0 H TYR A 24 6.447 -7.216 7.498 1.00 0.00 H new ATOM 0 HA TYR A 24 3.951 -5.945 8.425 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.891 -8.248 8.036 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.145 -7.240 6.625 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.873 -9.940 8.578 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.215 -8.168 4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.160 -11.744 7.521 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.496 -9.973 3.699 1.00 0.00 H new ATOM 0 HH TYR A 24 6.651 -11.836 3.984 1.00 0.00 H new ATOM 295 N LYS A 25 3.905 -7.480 10.495 1.00 0.00 N ATOM 296 CA LYS A 25 4.103 -8.065 11.816 1.00 0.00 C ATOM 297 C LYS A 25 3.721 -9.542 11.819 1.00 0.00 C ATOM 298 O LYS A 25 2.548 -9.891 11.689 1.00 0.00 O ATOM 299 CB LYS A 25 3.275 -7.312 12.860 1.00 0.00 C ATOM 300 CG LYS A 25 3.887 -7.329 14.250 1.00 0.00 C ATOM 301 CD LYS A 25 3.503 -6.092 15.043 1.00 0.00 C ATOM 302 CE LYS A 25 3.525 -6.360 16.540 1.00 0.00 C ATOM 303 NZ LYS A 25 2.641 -5.422 17.286 1.00 0.00 N ATOM 0 H LYS A 25 2.986 -7.061 10.353 1.00 0.00 H new ATOM 0 HA LYS A 25 5.160 -7.980 12.069 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.154 -6.278 12.538 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.278 -7.750 12.906 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.557 -8.221 14.783 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.972 -7.389 14.170 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.191 -5.280 14.808 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.507 -5.763 14.746 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.208 -7.386 16.730 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.546 -6.268 16.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.685 -5.638 18.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.958 -4.445 17.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.662 -5.527 16.951 1.00 0.00 H new ATOM 317 N LYS A 26 4.720 -10.406 11.969 1.00 0.00 N ATOM 318 CA LYS A 26 4.490 -11.845 11.992 1.00 0.00 C ATOM 319 C LYS A 26 5.391 -12.524 13.018 1.00 0.00 C ATOM 320 O LYS A 26 6.615 -12.403 12.959 1.00 0.00 O ATOM 321 CB LYS A 26 4.736 -12.444 10.605 1.00 0.00 C ATOM 322 CG LYS A 26 3.497 -12.474 9.727 1.00 0.00 C ATOM 323 CD LYS A 26 3.741 -13.253 8.446 1.00 0.00 C ATOM 324 CE LYS A 26 3.598 -14.751 8.669 1.00 0.00 C ATOM 325 NZ LYS A 26 2.179 -15.146 8.888 1.00 0.00 N ATOM 0 H LYS A 26 5.697 -10.134 12.076 1.00 0.00 H new ATOM 0 HA LYS A 26 3.452 -12.017 12.276 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.513 -11.868 10.102 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.115 -13.460 10.719 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.671 -12.925 10.277 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.198 -11.455 9.483 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.035 -12.929 7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.740 -13.034 8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.995 -15.286 7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.195 -15.049 9.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.082 -16.174 8.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.890 -14.883 9.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.572 -14.657 8.199 1.00 0.00 H new ATOM 339 N ASP A 27 4.779 -13.239 13.956 1.00 0.00 N ATOM 340 CA ASP A 27 5.527 -13.939 14.993 1.00 0.00 C ATOM 341 C ASP A 27 6.337 -12.958 15.836 1.00 0.00 C ATOM 342 O ASP A 27 7.470 -13.243 16.220 1.00 0.00 O ATOM 343 CB ASP A 27 6.456 -14.981 14.367 1.00 0.00 C ATOM 344 CG ASP A 27 5.737 -16.274 14.037 1.00 0.00 C ATOM 345 OD1 ASP A 27 5.016 -16.792 14.915 1.00 0.00 O ATOM 346 OD2 ASP A 27 5.896 -16.768 12.901 1.00 0.00 O ATOM 0 H ASP A 27 3.767 -13.349 14.019 1.00 0.00 H new ATOM 0 HA ASP A 27 4.812 -14.444 15.643 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.896 -14.571 13.458 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.277 -15.190 15.053 1.00 0.00 H new ATOM 351 N ASN A 28 5.746 -11.802 16.119 1.00 0.00 N ATOM 352 CA ASN A 28 6.413 -10.777 16.914 1.00 0.00 C ATOM 353 C ASN A 28 7.723 -10.348 16.261 1.00 0.00 C ATOM 354 O ASN A 28 8.751 -10.228 16.928 1.00 0.00 O ATOM 355 CB ASN A 28 6.682 -11.295 18.329 1.00 0.00 C ATOM 356 CG ASN A 28 6.710 -10.181 19.357 1.00 0.00 C ATOM 357 OD1 ASN A 28 7.033 -9.036 19.040 1.00 0.00 O ATOM 358 ND2 ASN A 28 6.370 -10.512 20.597 1.00 0.00 N ATOM 0 H ASN A 28 4.807 -11.551 15.810 1.00 0.00 H new ATOM 0 HA ASN A 28 5.754 -9.910 16.970 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.912 -12.017 18.601 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.635 -11.824 18.344 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.370 -9.805 21.332 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.109 -11.474 20.815 1.00 0.00 H new ATOM 365 N GLU A 29 7.678 -10.118 14.952 1.00 0.00 N ATOM 366 CA GLU A 29 8.862 -9.703 14.209 1.00 0.00 C ATOM 367 C GLU A 29 8.471 -9.024 12.899 1.00 0.00 C ATOM 368 O GLU A 29 7.401 -9.283 12.348 1.00 0.00 O ATOM 369 CB GLU A 29 9.761 -10.907 13.924 1.00 0.00 C ATOM 370 CG GLU A 29 11.226 -10.544 13.745 1.00 0.00 C ATOM 371 CD GLU A 29 11.538 -10.049 12.346 1.00 0.00 C ATOM 372 OE1 GLU A 29 10.823 -10.445 11.403 1.00 0.00 O ATOM 373 OE2 GLU A 29 12.497 -9.264 12.196 1.00 0.00 O ATOM 0 H GLU A 29 6.835 -10.212 14.385 1.00 0.00 H new ATOM 0 HA GLU A 29 9.411 -8.987 14.820 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.670 -11.620 14.743 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.407 -11.409 13.024 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.496 -9.774 14.467 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.842 -11.416 13.963 1.00 0.00 H new ATOM 380 N PHE A 30 9.346 -8.154 12.406 1.00 0.00 N ATOM 381 CA PHE A 30 9.093 -7.437 11.162 1.00 0.00 C ATOM 382 C PHE A 30 9.810 -8.106 9.993 1.00 0.00 C ATOM 383 O PHE A 30 11.029 -8.005 9.856 1.00 0.00 O ATOM 384 CB PHE A 30 9.547 -5.981 11.287 1.00 0.00 C ATOM 385 CG PHE A 30 8.510 -5.080 11.894 1.00 0.00 C ATOM 386 CD1 PHE A 30 7.501 -4.539 11.115 1.00 0.00 C ATOM 387 CD2 PHE A 30 8.546 -4.774 13.245 1.00 0.00 C ATOM 388 CE1 PHE A 30 6.545 -3.710 11.671 1.00 0.00 C ATOM 389 CE2 PHE A 30 7.592 -3.945 13.807 1.00 0.00 C ATOM 390 CZ PHE A 30 6.591 -3.412 13.018 1.00 0.00 C ATOM 0 H PHE A 30 10.237 -7.928 12.849 1.00 0.00 H new ATOM 0 HA PHE A 30 8.020 -7.461 10.969 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.451 -5.942 11.894 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.810 -5.605 10.298 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.461 -4.768 10.060 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.327 -5.187 13.866 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.763 -3.296 11.052 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.630 -3.715 14.861 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.846 -2.763 13.454 1.00 0.00 H new ATOM 400 N LYS A 31 9.043 -8.792 9.151 1.00 0.00 N ATOM 401 CA LYS A 31 9.602 -9.478 7.992 1.00 0.00 C ATOM 402 C LYS A 31 9.378 -8.668 6.720 1.00 0.00 C ATOM 403 O LYS A 31 8.331 -8.045 6.546 1.00 0.00 O ATOM 404 CB LYS A 31 8.974 -10.865 7.844 1.00 0.00 C ATOM 405 CG LYS A 31 9.375 -11.836 8.941 1.00 0.00 C ATOM 406 CD LYS A 31 10.776 -12.380 8.720 1.00 0.00 C ATOM 407 CE LYS A 31 11.056 -13.577 9.615 1.00 0.00 C ATOM 408 NZ LYS A 31 10.300 -14.784 9.181 1.00 0.00 N ATOM 0 H LYS A 31 8.032 -8.887 9.250 1.00 0.00 H new ATOM 0 HA LYS A 31 10.675 -9.586 8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.889 -10.764 7.839 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.260 -11.283 6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.327 -11.334 9.907 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.664 -12.662 8.975 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.895 -12.669 7.676 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.507 -11.597 8.919 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.124 -13.795 9.606 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.789 -13.332 10.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.698 -15.627 9.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.300 -14.683 9.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.373 -14.886 8.149 1.00 0.00 H new ATOM 422 N GLU A 32 10.368 -8.682 5.832 1.00 0.00 N ATOM 423 CA GLU A 32 10.277 -7.949 4.575 1.00 0.00 C ATOM 424 C GLU A 32 9.416 -8.703 3.566 1.00 0.00 C ATOM 425 O GLU A 32 9.770 -9.797 3.126 1.00 0.00 O ATOM 426 CB GLU A 32 11.673 -7.712 3.995 1.00 0.00 C ATOM 427 CG GLU A 32 11.723 -6.596 2.966 1.00 0.00 C ATOM 428 CD GLU A 32 12.955 -6.669 2.085 1.00 0.00 C ATOM 429 OE1 GLU A 32 12.976 -7.510 1.162 1.00 0.00 O ATOM 430 OE2 GLU A 32 13.899 -5.885 2.319 1.00 0.00 O ATOM 0 H GLU A 32 11.242 -9.193 5.960 1.00 0.00 H new ATOM 0 HA GLU A 32 9.808 -6.986 4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.360 -7.476 4.808 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.028 -8.635 3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.831 -6.643 2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.704 -5.634 3.478 1.00 0.00 H new ATOM 437 N LYS A 33 8.283 -8.111 3.205 1.00 0.00 N ATOM 438 CA LYS A 33 7.370 -8.724 2.248 1.00 0.00 C ATOM 439 C LYS A 33 8.003 -8.798 0.862 1.00 0.00 C ATOM 440 O LYS A 33 7.896 -9.811 0.173 1.00 0.00 O ATOM 441 CB LYS A 33 6.062 -7.933 2.180 1.00 0.00 C ATOM 442 CG LYS A 33 5.119 -8.408 1.088 1.00 0.00 C ATOM 443 CD LYS A 33 4.527 -9.768 1.415 1.00 0.00 C ATOM 444 CE LYS A 33 3.671 -10.293 0.273 1.00 0.00 C ATOM 445 NZ LYS A 33 2.959 -11.547 0.644 1.00 0.00 N ATOM 0 H LYS A 33 7.975 -7.206 3.561 1.00 0.00 H new ATOM 0 HA LYS A 33 7.157 -9.738 2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.555 -8.003 3.142 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.292 -6.880 2.017 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.316 -7.682 0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.656 -8.462 0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.330 -10.475 1.624 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.923 -9.695 2.320 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.943 -9.534 -0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.300 -10.477 -0.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.387 -11.872 -0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.654 -12.280 0.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.339 -11.366 1.459 1.00 0.00 H new ATOM 459 N GLY A 34 8.666 -7.717 0.461 1.00 0.00 N ATOM 460 CA GLY A 34 9.308 -7.682 -0.840 1.00 0.00 C ATOM 461 C GLY A 34 9.566 -6.268 -1.321 1.00 0.00 C ATOM 462 O GLY A 34 8.649 -5.448 -1.378 1.00 0.00 O ATOM 0 H GLY A 34 8.770 -6.866 1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.253 -8.224 -0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.681 -8.201 -1.565 1.00 0.00 H new ATOM 466 N ILE A 35 10.816 -5.980 -1.667 1.00 0.00 N ATOM 467 CA ILE A 35 11.191 -4.655 -2.145 1.00 0.00 C ATOM 468 C ILE A 35 10.518 -4.341 -3.477 1.00 0.00 C ATOM 469 O ILE A 35 10.191 -5.242 -4.247 1.00 0.00 O ATOM 470 CB ILE A 35 12.717 -4.527 -2.310 1.00 0.00 C ATOM 471 CG1 ILE A 35 13.427 -4.934 -1.017 1.00 0.00 C ATOM 472 CG2 ILE A 35 13.089 -3.105 -2.701 1.00 0.00 C ATOM 473 CD1 ILE A 35 14.801 -5.525 -1.243 1.00 0.00 C ATOM 0 H ILE A 35 11.587 -6.647 -1.625 1.00 0.00 H new ATOM 0 HA ILE A 35 10.854 -3.941 -1.393 1.00 0.00 H new ATOM 0 HB ILE A 35 13.040 -5.198 -3.106 1.00 0.00 H new ATOM 0 HG12 ILE A 35 13.518 -4.061 -0.371 1.00 0.00 H new ATOM 0 HG13 ILE A 35 12.811 -5.660 -0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 35 14.171 -3.030 -2.814 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.607 -2.849 -3.645 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.757 -2.415 -1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 35 15.245 -5.790 -0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.716 -6.418 -1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 35 15.434 -4.793 -1.746 1.00 0.00 H new ATOM 485 N GLY A 36 10.317 -3.053 -3.742 1.00 0.00 N ATOM 486 CA GLY A 36 9.686 -2.642 -4.983 1.00 0.00 C ATOM 487 C GLY A 36 9.402 -1.153 -5.023 1.00 0.00 C ATOM 488 O GLY A 36 10.037 -0.373 -4.314 1.00 0.00 O ATOM 0 H GLY A 36 10.580 -2.288 -3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.331 -2.909 -5.821 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.753 -3.190 -5.112 1.00 0.00 H new ATOM 492 N THR A 37 8.445 -0.757 -5.857 1.00 0.00 N ATOM 493 CA THR A 37 8.080 0.647 -5.989 1.00 0.00 C ATOM 494 C THR A 37 6.585 0.850 -5.773 1.00 0.00 C ATOM 495 O THR A 37 5.763 0.100 -6.303 1.00 0.00 O ATOM 496 CB THR A 37 8.467 1.200 -7.374 1.00 0.00 C ATOM 497 OG1 THR A 37 9.850 0.941 -7.637 1.00 0.00 O ATOM 498 CG2 THR A 37 8.202 2.696 -7.453 1.00 0.00 C ATOM 0 H THR A 37 7.909 -1.390 -6.451 1.00 0.00 H new ATOM 0 HA THR A 37 8.632 1.190 -5.222 1.00 0.00 H new ATOM 0 HB THR A 37 7.855 0.698 -8.124 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.087 1.294 -8.520 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.483 3.064 -8.440 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.143 2.887 -7.283 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.790 3.210 -6.693 1.00 0.00 H new ATOM 506 N LEU A 38 6.237 1.867 -4.993 1.00 0.00 N ATOM 507 CA LEU A 38 4.839 2.169 -4.707 1.00 0.00 C ATOM 508 C LEU A 38 4.254 3.096 -5.768 1.00 0.00 C ATOM 509 O LEU A 38 4.901 4.051 -6.199 1.00 0.00 O ATOM 510 CB LEU A 38 4.708 2.811 -3.325 1.00 0.00 C ATOM 511 CG LEU A 38 3.308 3.289 -2.937 1.00 0.00 C ATOM 512 CD1 LEU A 38 2.880 4.455 -3.815 1.00 0.00 C ATOM 513 CD2 LEU A 38 2.307 2.147 -3.038 1.00 0.00 C ATOM 0 H LEU A 38 6.904 2.497 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 38 4.281 1.233 -4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.044 2.091 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.387 3.662 -3.276 1.00 0.00 H new ATOM 0 HG LEU A 38 3.335 3.631 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.882 4.782 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.582 5.280 -3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.869 4.140 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.316 2.506 -2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.282 1.774 -4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.604 1.342 -2.366 1.00 0.00 H new ATOM 525 N HIS A 39 3.025 2.809 -6.184 1.00 0.00 N ATOM 526 CA HIS A 39 2.351 3.618 -7.193 1.00 0.00 C ATOM 527 C HIS A 39 0.894 3.862 -6.810 1.00 0.00 C ATOM 528 O HIS A 39 0.086 2.933 -6.780 1.00 0.00 O ATOM 529 CB HIS A 39 2.424 2.934 -8.559 1.00 0.00 C ATOM 530 CG HIS A 39 3.811 2.862 -9.119 1.00 0.00 C ATOM 531 ND1 HIS A 39 4.586 3.977 -9.356 1.00 0.00 N ATOM 532 CD2 HIS A 39 4.562 1.798 -9.489 1.00 0.00 C ATOM 533 CE1 HIS A 39 5.753 3.603 -9.849 1.00 0.00 C ATOM 534 NE2 HIS A 39 5.764 2.285 -9.938 1.00 0.00 N ATOM 0 H HIS A 39 2.475 2.022 -5.838 1.00 0.00 H new ATOM 0 HA HIS A 39 2.859 4.580 -7.250 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.023 1.924 -8.472 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.785 3.472 -9.260 1.00 0.00 H new ATOM 0 HD1 HIS A 39 4.303 4.941 -9.178 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.270 0.759 -9.440 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.560 4.262 -10.131 1.00 0.00 H new ATOM 542 N LEU A 40 0.566 5.116 -6.518 1.00 0.00 N ATOM 543 CA LEU A 40 -0.794 5.482 -6.136 1.00 0.00 C ATOM 544 C LEU A 40 -1.605 5.910 -7.355 1.00 0.00 C ATOM 545 O LEU A 40 -1.254 6.870 -8.042 1.00 0.00 O ATOM 546 CB LEU A 40 -0.768 6.610 -5.104 1.00 0.00 C ATOM 547 CG LEU A 40 -0.722 6.177 -3.638 1.00 0.00 C ATOM 548 CD1 LEU A 40 -0.347 7.351 -2.746 1.00 0.00 C ATOM 549 CD2 LEU A 40 -2.059 5.589 -3.213 1.00 0.00 C ATOM 0 H LEU A 40 1.223 5.896 -6.538 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.270 4.606 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.100 7.238 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.652 7.231 -5.251 1.00 0.00 H new ATOM 0 HG LEU A 40 0.042 5.407 -3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.319 7.024 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.634 7.728 -3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.087 8.143 -2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.007 5.286 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.841 6.338 -3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.288 4.721 -3.831 1.00 0.00 H new ATOM 561 N LYS A 41 -2.693 5.194 -7.616 1.00 0.00 N ATOM 562 CA LYS A 41 -3.558 5.502 -8.750 1.00 0.00 C ATOM 563 C LYS A 41 -5.013 5.618 -8.308 1.00 0.00 C ATOM 564 O LYS A 41 -5.508 4.827 -7.505 1.00 0.00 O ATOM 565 CB LYS A 41 -3.425 4.422 -9.826 1.00 0.00 C ATOM 566 CG LYS A 41 -2.005 4.238 -10.332 1.00 0.00 C ATOM 567 CD LYS A 41 -1.838 2.913 -11.056 1.00 0.00 C ATOM 568 CE LYS A 41 -1.477 1.793 -10.092 1.00 0.00 C ATOM 569 NZ LYS A 41 -0.102 1.955 -9.543 1.00 0.00 N ATOM 0 H LYS A 41 -2.997 4.396 -7.058 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.245 6.460 -9.165 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.784 3.475 -9.424 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.071 4.677 -10.666 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.749 5.056 -11.005 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.310 4.286 -9.494 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.762 2.663 -11.577 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.060 3.007 -11.814 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.195 1.774 -9.272 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.553 0.834 -10.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.320 1.018 -9.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.482 2.485 -10.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.146 2.475 -8.643 1.00 0.00 H new ATOM 583 N PRO A 42 -5.716 6.627 -8.844 1.00 0.00 N ATOM 584 CA PRO A 42 -7.125 6.868 -8.521 1.00 0.00 C ATOM 585 C PRO A 42 -8.044 5.794 -9.092 1.00 0.00 C ATOM 586 O PRO A 42 -7.782 5.242 -10.161 1.00 0.00 O ATOM 587 CB PRO A 42 -7.412 8.222 -9.176 1.00 0.00 C ATOM 588 CG PRO A 42 -6.424 8.322 -10.286 1.00 0.00 C ATOM 589 CD PRO A 42 -5.190 7.608 -9.808 1.00 0.00 C ATOM 0 HA PRO A 42 -7.305 6.852 -7.446 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.435 8.272 -9.550 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.293 9.039 -8.465 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.812 7.864 -11.196 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.206 9.364 -10.521 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.663 7.122 -10.629 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.485 8.294 -9.339 1.00 0.00 H new ATOM 597 N THR A 43 -9.124 5.501 -8.374 1.00 0.00 N ATOM 598 CA THR A 43 -10.081 4.493 -8.809 1.00 0.00 C ATOM 599 C THR A 43 -11.404 5.130 -9.219 1.00 0.00 C ATOM 600 O THR A 43 -11.686 6.276 -8.869 1.00 0.00 O ATOM 601 CB THR A 43 -10.346 3.455 -7.702 1.00 0.00 C ATOM 602 OG1 THR A 43 -11.210 2.424 -8.194 1.00 0.00 O ATOM 603 CG2 THR A 43 -10.975 4.112 -6.483 1.00 0.00 C ATOM 0 H THR A 43 -9.357 5.949 -7.488 1.00 0.00 H new ATOM 0 HA THR A 43 -9.640 3.991 -9.670 1.00 0.00 H new ATOM 0 HB THR A 43 -9.391 3.019 -7.408 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.372 1.767 -7.485 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.153 3.359 -5.715 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.302 4.876 -6.093 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.922 4.572 -6.766 1.00 0.00 H new ATOM 611 N ALA A 44 -12.211 4.381 -9.962 1.00 0.00 N ATOM 612 CA ALA A 44 -13.506 4.873 -10.418 1.00 0.00 C ATOM 613 C ALA A 44 -14.204 5.675 -9.324 1.00 0.00 C ATOM 614 O ALA A 44 -14.725 6.761 -9.575 1.00 0.00 O ATOM 615 CB ALA A 44 -14.383 3.713 -10.865 1.00 0.00 C ATOM 0 H ALA A 44 -11.992 3.431 -10.261 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.337 5.535 -11.267 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -15.347 4.094 -11.203 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.896 3.183 -11.683 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.536 3.030 -10.030 1.00 0.00 H new ATOM 621 N ASN A 45 -14.210 5.133 -8.111 1.00 0.00 N ATOM 622 CA ASN A 45 -14.845 5.798 -6.980 1.00 0.00 C ATOM 623 C ASN A 45 -13.997 6.969 -6.492 1.00 0.00 C ATOM 624 O ASN A 45 -12.910 7.220 -7.011 1.00 0.00 O ATOM 625 CB ASN A 45 -15.069 4.805 -5.837 1.00 0.00 C ATOM 626 CG ASN A 45 -15.959 3.647 -6.244 1.00 0.00 C ATOM 627 OD1 ASN A 45 -15.476 2.572 -6.596 1.00 0.00 O ATOM 628 ND2 ASN A 45 -17.269 3.864 -6.196 1.00 0.00 N ATOM 0 H ASN A 45 -13.782 4.235 -7.886 1.00 0.00 H new ATOM 0 HA ASN A 45 -15.809 6.183 -7.312 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -14.107 4.419 -5.500 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -15.518 5.325 -4.990 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -17.919 3.122 -6.457 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -17.625 4.772 -5.898 1.00 0.00 H new ATOM 635 N GLN A 46 -14.504 7.682 -5.490 1.00 0.00 N ATOM 636 CA GLN A 46 -13.793 8.827 -4.933 1.00 0.00 C ATOM 637 C GLN A 46 -12.699 8.373 -3.972 1.00 0.00 C ATOM 638 O GLN A 46 -12.105 9.185 -3.262 1.00 0.00 O ATOM 639 CB GLN A 46 -14.769 9.757 -4.210 1.00 0.00 C ATOM 640 CG GLN A 46 -15.431 10.774 -5.126 1.00 0.00 C ATOM 641 CD GLN A 46 -14.426 11.647 -5.852 1.00 0.00 C ATOM 642 OE1 GLN A 46 -14.034 11.354 -6.981 1.00 0.00 O ATOM 643 NE2 GLN A 46 -14.004 12.727 -5.205 1.00 0.00 N ATOM 0 H GLN A 46 -15.403 7.487 -5.048 1.00 0.00 H new ATOM 0 HA GLN A 46 -13.327 9.369 -5.756 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -15.541 9.157 -3.729 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -14.237 10.285 -3.419 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -16.048 10.251 -5.857 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -16.098 11.405 -4.539 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -14.356 12.931 -4.270 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.328 13.352 -5.643 1.00 0.00 H new ATOM 652 N LYS A 47 -12.437 7.071 -3.954 1.00 0.00 N ATOM 653 CA LYS A 47 -11.414 6.507 -3.082 1.00 0.00 C ATOM 654 C LYS A 47 -10.093 6.344 -3.827 1.00 0.00 C ATOM 655 O LYS A 47 -10.022 6.549 -5.039 1.00 0.00 O ATOM 656 CB LYS A 47 -11.871 5.154 -2.532 1.00 0.00 C ATOM 657 CG LYS A 47 -13.137 5.234 -1.697 1.00 0.00 C ATOM 658 CD LYS A 47 -12.911 6.014 -0.413 1.00 0.00 C ATOM 659 CE LYS A 47 -14.197 6.161 0.385 1.00 0.00 C ATOM 660 NZ LYS A 47 -14.057 7.153 1.487 1.00 0.00 N ATOM 0 H LYS A 47 -12.920 6.385 -4.535 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.261 7.197 -2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.037 4.470 -3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.072 4.729 -1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.927 5.709 -2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.479 4.227 -1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.161 5.507 0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.515 7.001 -0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.004 6.469 -0.280 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.479 5.194 0.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.955 7.224 2.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.305 6.847 2.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.813 8.082 1.089 1.00 0.00 H new ATOM 674 N THR A 48 -9.047 5.974 -3.095 1.00 0.00 N ATOM 675 CA THR A 48 -7.729 5.783 -3.686 1.00 0.00 C ATOM 676 C THR A 48 -7.313 4.317 -3.643 1.00 0.00 C ATOM 677 O THR A 48 -7.560 3.622 -2.658 1.00 0.00 O ATOM 678 CB THR A 48 -6.662 6.628 -2.965 1.00 0.00 C ATOM 679 OG1 THR A 48 -6.999 8.017 -3.048 1.00 0.00 O ATOM 680 CG2 THR A 48 -5.286 6.397 -3.573 1.00 0.00 C ATOM 0 H THR A 48 -9.088 5.801 -2.091 1.00 0.00 H new ATOM 0 HA THR A 48 -7.799 6.108 -4.724 1.00 0.00 H new ATOM 0 HB THR A 48 -6.635 6.323 -1.919 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.366 8.472 -3.642 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.549 7.004 -3.047 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.020 5.344 -3.482 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.302 6.677 -4.626 1.00 0.00 H new ATOM 688 N GLN A 49 -6.682 3.854 -4.717 1.00 0.00 N ATOM 689 CA GLN A 49 -6.233 2.469 -4.801 1.00 0.00 C ATOM 690 C GLN A 49 -4.712 2.385 -4.727 1.00 0.00 C ATOM 691 O GLN A 49 -4.010 2.846 -5.628 1.00 0.00 O ATOM 692 CB GLN A 49 -6.729 1.828 -6.098 1.00 0.00 C ATOM 693 CG GLN A 49 -6.212 0.414 -6.314 1.00 0.00 C ATOM 694 CD GLN A 49 -6.534 -0.120 -7.695 1.00 0.00 C ATOM 695 OE1 GLN A 49 -7.281 0.499 -8.455 1.00 0.00 O ATOM 696 NE2 GLN A 49 -5.972 -1.276 -8.029 1.00 0.00 N ATOM 0 H GLN A 49 -6.470 4.417 -5.541 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.650 1.926 -3.953 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.819 1.811 -6.091 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.425 2.450 -6.940 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.132 0.399 -6.166 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.646 -0.246 -5.563 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.360 -1.755 -7.369 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.153 -1.685 -8.946 1.00 0.00 H new ATOM 705 N LEU A 50 -4.209 1.793 -3.649 1.00 0.00 N ATOM 706 CA LEU A 50 -2.770 1.649 -3.457 1.00 0.00 C ATOM 707 C LEU A 50 -2.252 0.392 -4.149 1.00 0.00 C ATOM 708 O LEU A 50 -2.870 -0.671 -4.074 1.00 0.00 O ATOM 709 CB LEU A 50 -2.438 1.597 -1.965 1.00 0.00 C ATOM 710 CG LEU A 50 -0.977 1.853 -1.594 1.00 0.00 C ATOM 711 CD1 LEU A 50 -0.739 3.336 -1.355 1.00 0.00 C ATOM 712 CD2 LEU A 50 -0.589 1.044 -0.365 1.00 0.00 C ATOM 0 H LEU A 50 -4.776 1.405 -2.895 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.280 2.515 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.057 2.331 -1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.723 0.616 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.350 1.535 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.306 3.499 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.976 3.893 -2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.376 3.680 -0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.454 1.239 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.222 1.331 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.720 -0.018 -0.572 1.00 0.00 H new ATOM 724 N LEU A 51 -1.113 0.520 -4.821 1.00 0.00 N ATOM 725 CA LEU A 51 -0.510 -0.606 -5.526 1.00 0.00 C ATOM 726 C LEU A 51 1.007 -0.595 -5.371 1.00 0.00 C ATOM 727 O LEU A 51 1.660 0.419 -5.618 1.00 0.00 O ATOM 728 CB LEU A 51 -0.884 -0.565 -7.008 1.00 0.00 C ATOM 729 CG LEU A 51 -0.795 -1.894 -7.760 1.00 0.00 C ATOM 730 CD1 LEU A 51 -2.000 -2.767 -7.444 1.00 0.00 C ATOM 731 CD2 LEU A 51 -0.687 -1.654 -9.258 1.00 0.00 C ATOM 0 H LEU A 51 -0.589 1.392 -4.893 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.895 -1.526 -5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.903 -0.189 -7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.235 0.155 -7.506 1.00 0.00 H new ATOM 0 HG LEU A 51 0.103 -2.416 -7.431 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.920 -3.708 -7.988 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.033 -2.968 -6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.912 -2.251 -7.744 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.625 -2.611 -9.776 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.566 -1.111 -9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.208 -1.068 -9.469 1.00 0.00 H new ATOM 743 N VAL A 52 1.564 -1.731 -4.963 1.00 0.00 N ATOM 744 CA VAL A 52 3.005 -1.854 -4.779 1.00 0.00 C ATOM 745 C VAL A 52 3.585 -2.935 -5.684 1.00 0.00 C ATOM 746 O VAL A 52 3.317 -4.122 -5.500 1.00 0.00 O ATOM 747 CB VAL A 52 3.358 -2.181 -3.316 1.00 0.00 C ATOM 748 CG1 VAL A 52 4.842 -2.487 -3.180 1.00 0.00 C ATOM 749 CG2 VAL A 52 2.956 -1.033 -2.402 1.00 0.00 C ATOM 0 H VAL A 52 1.039 -2.580 -4.754 1.00 0.00 H new ATOM 0 HA VAL A 52 3.441 -0.891 -5.044 1.00 0.00 H new ATOM 0 HB VAL A 52 2.800 -3.068 -3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.072 -2.716 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.096 -3.344 -3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.423 -1.621 -3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.213 -1.281 -1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.485 -0.128 -2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.881 -0.866 -2.478 1.00 0.00 H new ATOM 759 N ARG A 53 4.380 -2.516 -6.663 1.00 0.00 N ATOM 760 CA ARG A 53 4.998 -3.448 -7.598 1.00 0.00 C ATOM 761 C ARG A 53 6.388 -3.857 -7.119 1.00 0.00 C ATOM 762 O ARG A 53 7.132 -3.043 -6.573 1.00 0.00 O ATOM 763 CB ARG A 53 5.090 -2.821 -8.990 1.00 0.00 C ATOM 764 CG ARG A 53 5.805 -1.480 -9.008 1.00 0.00 C ATOM 765 CD ARG A 53 5.908 -0.922 -10.419 1.00 0.00 C ATOM 766 NE ARG A 53 6.796 -1.721 -11.260 1.00 0.00 N ATOM 767 CZ ARG A 53 8.114 -1.557 -11.300 1.00 0.00 C ATOM 768 NH1 ARG A 53 8.693 -0.628 -10.551 1.00 0.00 N ATOM 769 NH2 ARG A 53 8.855 -2.322 -12.090 1.00 0.00 N ATOM 0 H ARG A 53 4.611 -1.537 -6.829 1.00 0.00 H new ATOM 0 HA ARG A 53 4.374 -4.340 -7.650 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.610 -3.510 -9.656 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.084 -2.692 -9.388 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.270 -0.773 -8.374 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.804 -1.593 -8.587 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.916 -0.888 -10.869 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.274 0.104 -10.377 1.00 0.00 H new ATOM 0 HE ARG A 53 6.382 -2.444 -11.848 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.126 -0.037 -9.942 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.705 -0.504 -10.584 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.413 -3.037 -12.668 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.867 -2.195 -12.120 1.00 0.00 H new ATOM 783 N ALA A 54 6.731 -5.124 -7.328 1.00 0.00 N ATOM 784 CA ALA A 54 8.031 -5.641 -6.920 1.00 0.00 C ATOM 785 C ALA A 54 9.160 -4.940 -7.668 1.00 0.00 C ATOM 786 O ALA A 54 8.997 -4.533 -8.818 1.00 0.00 O ATOM 787 CB ALA A 54 8.098 -7.144 -7.149 1.00 0.00 C ATOM 0 H ALA A 54 6.126 -5.811 -7.778 1.00 0.00 H new ATOM 0 HA ALA A 54 8.155 -5.441 -5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.075 -7.516 -6.840 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.321 -7.636 -6.565 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.947 -7.358 -8.207 1.00 0.00 H new ATOM 793 N ASP A 55 10.304 -4.801 -7.007 1.00 0.00 N ATOM 794 CA ASP A 55 11.461 -4.149 -7.610 1.00 0.00 C ATOM 795 C ASP A 55 11.908 -4.889 -8.867 1.00 0.00 C ATOM 796 O ASP A 55 12.223 -4.272 -9.885 1.00 0.00 O ATOM 797 CB ASP A 55 12.614 -4.078 -6.607 1.00 0.00 C ATOM 798 CG ASP A 55 13.606 -2.982 -6.941 1.00 0.00 C ATOM 799 OD1 ASP A 55 14.486 -3.218 -7.795 1.00 0.00 O ATOM 800 OD2 ASP A 55 13.501 -1.887 -6.350 1.00 0.00 O ATOM 0 H ASP A 55 10.455 -5.131 -6.054 1.00 0.00 H new ATOM 0 HA ASP A 55 11.171 -3.136 -7.890 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.212 -3.908 -5.608 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.131 -5.037 -6.584 1.00 0.00 H new ATOM 805 N THR A 56 11.935 -6.215 -8.788 1.00 0.00 N ATOM 806 CA THR A 56 12.346 -7.040 -9.918 1.00 0.00 C ATOM 807 C THR A 56 11.566 -6.676 -11.176 1.00 0.00 C ATOM 808 O THR A 56 10.389 -6.323 -11.108 1.00 0.00 O ATOM 809 CB THR A 56 12.149 -8.538 -9.621 1.00 0.00 C ATOM 810 OG1 THR A 56 10.763 -8.813 -9.385 1.00 0.00 O ATOM 811 CG2 THR A 56 12.968 -8.962 -8.411 1.00 0.00 C ATOM 0 H THR A 56 11.677 -6.741 -7.953 1.00 0.00 H new ATOM 0 HA THR A 56 13.406 -6.846 -10.082 1.00 0.00 H new ATOM 0 HB THR A 56 12.489 -9.105 -10.487 1.00 0.00 H new ATOM 0 HG1 THR A 56 10.646 -9.768 -9.199 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.813 -10.024 -8.221 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.025 -8.779 -8.605 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.654 -8.387 -7.540 1.00 0.00 H new ATOM 819 N ASN A 57 12.229 -6.765 -12.325 1.00 0.00 N ATOM 820 CA ASN A 57 11.597 -6.445 -13.599 1.00 0.00 C ATOM 821 C ASN A 57 10.211 -7.075 -13.692 1.00 0.00 C ATOM 822 O ASN A 57 9.271 -6.461 -14.200 1.00 0.00 O ATOM 823 CB ASN A 57 12.468 -6.929 -14.760 1.00 0.00 C ATOM 824 CG ASN A 57 13.906 -6.463 -14.637 1.00 0.00 C ATOM 825 OD1 ASN A 57 14.170 -5.296 -14.348 1.00 0.00 O ATOM 826 ND2 ASN A 57 14.845 -7.376 -14.858 1.00 0.00 N ATOM 0 H ASN A 57 13.204 -7.056 -12.399 1.00 0.00 H new ATOM 0 HA ASN A 57 11.490 -5.362 -13.661 1.00 0.00 H new ATOM 0 HB2 ASN A 57 12.444 -8.018 -14.799 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.051 -6.567 -15.699 1.00 0.00 H new ATOM 0 HD21 ASN A 57 15.830 -7.121 -14.791 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.581 -8.332 -15.095 1.00 0.00 H new ATOM 833 N LEU A 58 10.090 -8.302 -13.199 1.00 0.00 N ATOM 834 CA LEU A 58 8.818 -9.016 -13.225 1.00 0.00 C ATOM 835 C LEU A 58 7.758 -8.269 -12.422 1.00 0.00 C ATOM 836 O LEU A 58 7.793 -8.254 -11.192 1.00 0.00 O ATOM 837 CB LEU A 58 8.993 -10.430 -12.669 1.00 0.00 C ATOM 838 CG LEU A 58 7.836 -11.398 -12.919 1.00 0.00 C ATOM 839 CD1 LEU A 58 8.266 -12.829 -12.639 1.00 0.00 C ATOM 840 CD2 LEU A 58 6.634 -11.024 -12.063 1.00 0.00 C ATOM 0 H LEU A 58 10.858 -8.824 -12.776 1.00 0.00 H new ATOM 0 HA LEU A 58 8.485 -9.078 -14.261 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.898 -10.858 -13.099 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.154 -10.358 -11.593 1.00 0.00 H new ATOM 0 HG LEU A 58 7.548 -11.326 -13.968 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.429 -13.503 -12.823 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.096 -13.094 -13.294 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.582 -12.917 -11.599 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.820 -11.723 -12.254 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.910 -11.067 -11.009 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.310 -10.014 -12.312 1.00 0.00 H new ATOM 852 N GLY A 59 6.815 -7.651 -13.127 1.00 0.00 N ATOM 853 CA GLY A 59 5.757 -6.913 -12.463 1.00 0.00 C ATOM 854 C GLY A 59 4.745 -7.824 -11.796 1.00 0.00 C ATOM 855 O GLY A 59 4.030 -8.566 -12.468 1.00 0.00 O ATOM 0 H GLY A 59 6.765 -7.648 -14.146 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.194 -6.251 -11.715 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.248 -6.280 -13.190 1.00 0.00 H new ATOM 859 N ASN A 60 4.684 -7.768 -10.470 1.00 0.00 N ATOM 860 CA ASN A 60 3.753 -8.596 -9.711 1.00 0.00 C ATOM 861 C ASN A 60 3.059 -7.780 -8.626 1.00 0.00 C ATOM 862 O ASN A 60 3.503 -6.685 -8.279 1.00 0.00 O ATOM 863 CB ASN A 60 4.489 -9.781 -9.082 1.00 0.00 C ATOM 864 CG ASN A 60 5.166 -9.414 -7.776 1.00 0.00 C ATOM 865 OD1 ASN A 60 5.266 -8.238 -7.425 1.00 0.00 O ATOM 866 ND2 ASN A 60 5.637 -10.421 -7.050 1.00 0.00 N ATOM 0 H ASN A 60 5.268 -7.158 -9.898 1.00 0.00 H new ATOM 0 HA ASN A 60 2.995 -8.971 -10.399 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.782 -10.592 -8.906 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.236 -10.155 -9.783 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.104 -10.235 -6.162 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.532 -11.380 -7.380 1.00 0.00 H new ATOM 873 N ILE A 61 1.969 -8.321 -8.093 1.00 0.00 N ATOM 874 CA ILE A 61 1.214 -7.643 -7.046 1.00 0.00 C ATOM 875 C ILE A 61 1.686 -8.075 -5.661 1.00 0.00 C ATOM 876 O ILE A 61 1.506 -9.226 -5.263 1.00 0.00 O ATOM 877 CB ILE A 61 -0.296 -7.920 -7.170 1.00 0.00 C ATOM 878 CG1 ILE A 61 -0.838 -7.333 -8.475 1.00 0.00 C ATOM 879 CG2 ILE A 61 -1.040 -7.345 -5.975 1.00 0.00 C ATOM 880 CD1 ILE A 61 -2.261 -7.746 -8.778 1.00 0.00 C ATOM 0 H ILE A 61 1.589 -9.226 -8.369 1.00 0.00 H new ATOM 0 HA ILE A 61 1.390 -6.575 -7.172 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.453 -8.999 -7.185 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.787 -6.245 -8.424 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.195 -7.644 -9.298 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.106 -7.549 -6.077 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.669 -7.805 -5.059 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.879 -6.268 -5.930 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.579 -7.293 -9.717 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.315 -8.831 -8.862 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.916 -7.411 -7.974 1.00 0.00 H new ATOM 892 N LEU A 62 2.290 -7.144 -4.931 1.00 0.00 N ATOM 893 CA LEU A 62 2.787 -7.427 -3.589 1.00 0.00 C ATOM 894 C LEU A 62 1.718 -7.135 -2.540 1.00 0.00 C ATOM 895 O LEU A 62 1.505 -7.925 -1.619 1.00 0.00 O ATOM 896 CB LEU A 62 4.039 -6.597 -3.302 1.00 0.00 C ATOM 897 CG LEU A 62 5.354 -7.157 -3.843 1.00 0.00 C ATOM 898 CD1 LEU A 62 6.482 -6.155 -3.650 1.00 0.00 C ATOM 899 CD2 LEU A 62 5.691 -8.478 -3.166 1.00 0.00 C ATOM 0 H LEU A 62 2.447 -6.187 -5.246 1.00 0.00 H new ATOM 0 HA LEU A 62 3.041 -8.486 -3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.893 -5.600 -3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.134 -6.481 -2.222 1.00 0.00 H new ATOM 0 HG LEU A 62 5.236 -7.339 -4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.410 -6.572 -4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.245 -5.234 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.600 -5.940 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.630 -8.862 -3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.789 -8.322 -2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.895 -9.198 -3.357 1.00 0.00 H new ATOM 911 N LEU A 63 1.047 -5.998 -2.687 1.00 0.00 N ATOM 912 CA LEU A 63 -0.002 -5.603 -1.754 1.00 0.00 C ATOM 913 C LEU A 63 -0.958 -4.605 -2.400 1.00 0.00 C ATOM 914 O LEU A 63 -0.554 -3.515 -2.803 1.00 0.00 O ATOM 915 CB LEU A 63 0.613 -4.994 -0.493 1.00 0.00 C ATOM 916 CG LEU A 63 -0.352 -4.253 0.434 1.00 0.00 C ATOM 917 CD1 LEU A 63 -1.212 -5.240 1.208 1.00 0.00 C ATOM 918 CD2 LEU A 63 0.414 -3.348 1.388 1.00 0.00 C ATOM 0 H LEU A 63 1.211 -5.334 -3.443 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.567 -6.495 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.091 -5.792 0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.399 -4.302 -0.794 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.008 -3.632 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.892 -4.695 1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.788 -5.846 0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.572 -5.887 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.289 -2.829 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.094 -3.949 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.986 -2.617 0.816 1.00 0.00 H new ATOM 930 N ASN A 64 -2.228 -4.986 -2.493 1.00 0.00 N ATOM 931 CA ASN A 64 -3.243 -4.124 -3.089 1.00 0.00 C ATOM 932 C ASN A 64 -4.411 -3.915 -2.129 1.00 0.00 C ATOM 933 O ASN A 64 -5.064 -4.871 -1.712 1.00 0.00 O ATOM 934 CB ASN A 64 -3.748 -4.727 -4.401 1.00 0.00 C ATOM 935 CG ASN A 64 -4.601 -3.755 -5.193 1.00 0.00 C ATOM 936 OD1 ASN A 64 -5.029 -2.723 -4.676 1.00 0.00 O ATOM 937 ND2 ASN A 64 -4.854 -4.083 -6.455 1.00 0.00 N ATOM 0 H ASN A 64 -2.579 -5.885 -2.164 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.787 -3.156 -3.294 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.896 -5.036 -5.007 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.329 -5.624 -4.186 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.424 -3.469 -7.037 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.478 -4.949 -6.842 1.00 0.00 H new ATOM 944 N VAL A 65 -4.668 -2.658 -1.784 1.00 0.00 N ATOM 945 CA VAL A 65 -5.758 -2.322 -0.875 1.00 0.00 C ATOM 946 C VAL A 65 -6.279 -0.914 -1.139 1.00 0.00 C ATOM 947 O VAL A 65 -5.621 -0.110 -1.800 1.00 0.00 O ATOM 948 CB VAL A 65 -5.314 -2.426 0.596 1.00 0.00 C ATOM 949 CG1 VAL A 65 -4.804 -3.826 0.903 1.00 0.00 C ATOM 950 CG2 VAL A 65 -4.251 -1.382 0.907 1.00 0.00 C ATOM 0 H VAL A 65 -4.136 -1.855 -2.120 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.556 -3.042 -1.058 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.178 -2.233 1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.495 -3.880 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.598 -4.550 0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.953 -4.052 0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.949 -1.470 1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.385 -1.541 0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.656 -0.386 0.729 1.00 0.00 H new ATOM 960 N LEU A 66 -7.466 -0.622 -0.618 1.00 0.00 N ATOM 961 CA LEU A 66 -8.078 0.691 -0.797 1.00 0.00 C ATOM 962 C LEU A 66 -8.078 1.474 0.512 1.00 0.00 C ATOM 963 O LEU A 66 -8.621 1.018 1.519 1.00 0.00 O ATOM 964 CB LEU A 66 -9.509 0.542 -1.315 1.00 0.00 C ATOM 965 CG LEU A 66 -9.653 0.194 -2.797 1.00 0.00 C ATOM 966 CD1 LEU A 66 -10.966 -0.531 -3.050 1.00 0.00 C ATOM 967 CD2 LEU A 66 -9.562 1.450 -3.651 1.00 0.00 C ATOM 0 H LEU A 66 -8.024 -1.276 -0.069 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.489 1.243 -1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.007 -0.232 -0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.041 1.475 -1.128 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.835 -0.471 -3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.051 -0.771 -4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.992 -1.451 -2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.798 0.109 -2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.667 1.183 -4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.359 2.139 -3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.596 1.929 -3.492 1.00 0.00 H new ATOM 979 N ILE A 67 -7.467 2.653 0.490 1.00 0.00 N ATOM 980 CA ILE A 67 -7.400 3.501 1.674 1.00 0.00 C ATOM 981 C ILE A 67 -8.796 3.847 2.182 1.00 0.00 C ATOM 982 O ILE A 67 -9.561 4.560 1.533 1.00 0.00 O ATOM 983 CB ILE A 67 -6.632 4.805 1.390 1.00 0.00 C ATOM 984 CG1 ILE A 67 -5.209 4.493 0.921 1.00 0.00 C ATOM 985 CG2 ILE A 67 -6.605 5.685 2.631 1.00 0.00 C ATOM 986 CD1 ILE A 67 -4.488 5.689 0.340 1.00 0.00 C ATOM 0 H ILE A 67 -7.011 3.043 -0.335 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.868 2.934 2.438 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.146 5.346 0.596 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.634 4.106 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.247 3.703 0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.059 6.603 2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.625 5.931 2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.112 5.152 3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.486 5.394 0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.040 6.063 -0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.418 6.473 1.094 1.00 0.00 H new ATOM 998 N PRO A 68 -9.136 3.331 3.373 1.00 0.00 N ATOM 999 CA PRO A 68 -10.441 3.574 3.997 1.00 0.00 C ATOM 1000 C PRO A 68 -10.600 5.016 4.465 1.00 0.00 C ATOM 1001 O PRO A 68 -9.648 5.797 4.483 1.00 0.00 O ATOM 1002 CB PRO A 68 -10.445 2.619 5.193 1.00 0.00 C ATOM 1003 CG PRO A 68 -9.005 2.409 5.515 1.00 0.00 C ATOM 1004 CD PRO A 68 -8.274 2.473 4.202 1.00 0.00 C ATOM 0 HA PRO A 68 -11.263 3.410 3.301 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.982 3.047 6.040 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.937 1.678 4.947 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.643 3.175 6.201 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.850 1.446 6.001 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -7.277 2.897 4.318 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.150 1.483 3.762 1.00 0.00 H new ATOM 1012 N PRO A 69 -11.831 5.380 4.855 1.00 0.00 N ATOM 1013 CA PRO A 69 -12.143 6.730 5.333 1.00 0.00 C ATOM 1014 C PRO A 69 -11.519 7.023 6.693 1.00 0.00 C ATOM 1015 O PRO A 69 -11.238 8.175 7.022 1.00 0.00 O ATOM 1016 CB PRO A 69 -13.670 6.726 5.434 1.00 0.00 C ATOM 1017 CG PRO A 69 -14.033 5.295 5.628 1.00 0.00 C ATOM 1018 CD PRO A 69 -13.012 4.501 4.861 1.00 0.00 C ATOM 0 HA PRO A 69 -11.748 7.499 4.669 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -14.013 7.338 6.268 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -14.127 7.132 4.532 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.020 5.029 6.685 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -15.040 5.094 5.261 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -12.800 3.547 5.343 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.353 4.279 3.850 1.00 0.00 H new ATOM 1026 N ASN A 70 -11.304 5.973 7.479 1.00 0.00 N ATOM 1027 CA ASN A 70 -10.713 6.118 8.804 1.00 0.00 C ATOM 1028 C ASN A 70 -9.538 5.162 8.983 1.00 0.00 C ATOM 1029 O ASN A 70 -9.723 3.955 9.131 1.00 0.00 O ATOM 1030 CB ASN A 70 -11.765 5.859 9.885 1.00 0.00 C ATOM 1031 CG ASN A 70 -11.301 6.301 11.260 1.00 0.00 C ATOM 1032 OD1 ASN A 70 -11.801 7.283 11.809 1.00 0.00 O ATOM 1033 ND2 ASN A 70 -10.341 5.576 11.822 1.00 0.00 N ATOM 0 H ASN A 70 -11.530 5.012 7.221 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.345 7.139 8.901 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.684 6.386 9.628 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.003 4.796 9.909 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.988 5.825 12.746 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.956 4.770 11.330 1.00 0.00 H new ATOM 1040 N MET A 71 -8.328 5.712 8.969 1.00 0.00 N ATOM 1041 CA MET A 71 -7.122 4.909 9.132 1.00 0.00 C ATOM 1042 C MET A 71 -6.130 5.600 10.062 1.00 0.00 C ATOM 1043 O MET A 71 -5.825 6.783 9.915 1.00 0.00 O ATOM 1044 CB MET A 71 -6.469 4.649 7.773 1.00 0.00 C ATOM 1045 CG MET A 71 -5.117 3.962 7.870 1.00 0.00 C ATOM 1046 SD MET A 71 -4.071 4.281 6.436 1.00 0.00 S ATOM 1047 CE MET A 71 -3.114 5.678 7.019 1.00 0.00 C ATOM 0 H MET A 71 -8.157 6.710 8.846 1.00 0.00 H new ATOM 0 HA MET A 71 -7.408 3.956 9.578 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.137 4.034 7.170 1.00 0.00 H new ATOM 0 HB3 MET A 71 -6.349 5.597 7.250 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.605 4.301 8.771 1.00 0.00 H new ATOM 0 HG3 MET A 71 -5.267 2.887 7.974 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.336 5.914 6.293 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.768 6.541 7.143 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.655 5.430 7.976 1.00 0.00 H new ATOM 1057 N PRO A 72 -5.613 4.845 11.044 1.00 0.00 N ATOM 1058 CA PRO A 72 -4.648 5.365 12.017 1.00 0.00 C ATOM 1059 C PRO A 72 -3.288 5.652 11.388 1.00 0.00 C ATOM 1060 O PRO A 72 -2.845 4.934 10.491 1.00 0.00 O ATOM 1061 CB PRO A 72 -4.535 4.234 13.043 1.00 0.00 C ATOM 1062 CG PRO A 72 -4.903 3.002 12.291 1.00 0.00 C ATOM 1063 CD PRO A 72 -5.931 3.427 11.279 1.00 0.00 C ATOM 0 HA PRO A 72 -4.970 6.315 12.443 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.525 4.165 13.446 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.205 4.397 13.887 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.031 2.568 11.803 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.305 2.242 12.960 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.858 2.842 10.362 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.945 3.300 11.659 1.00 0.00 H new ATOM 1071 N CYS A 73 -2.631 6.703 11.865 1.00 0.00 N ATOM 1072 CA CYS A 73 -1.322 7.085 11.349 1.00 0.00 C ATOM 1073 C CYS A 73 -0.318 7.253 12.485 1.00 0.00 C ATOM 1074 O CYS A 73 -0.584 7.947 13.466 1.00 0.00 O ATOM 1075 CB CYS A 73 -1.425 8.383 10.547 1.00 0.00 C ATOM 1076 SG CYS A 73 -2.061 9.786 11.493 1.00 0.00 S ATOM 0 H CYS A 73 -2.984 7.306 12.608 1.00 0.00 H new ATOM 0 HA CYS A 73 -0.971 6.289 10.693 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -0.439 8.637 10.159 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.072 8.215 9.686 1.00 0.00 H new ATOM 0 HG CYS A 73 -1.734 9.650 12.744 1.00 0.00 H new ATOM 1082 N THR A 74 0.838 6.611 12.346 1.00 0.00 N ATOM 1083 CA THR A 74 1.881 6.687 13.361 1.00 0.00 C ATOM 1084 C THR A 74 3.262 6.790 12.724 1.00 0.00 C ATOM 1085 O THR A 74 3.685 5.897 11.988 1.00 0.00 O ATOM 1086 CB THR A 74 1.849 5.460 14.293 1.00 0.00 C ATOM 1087 OG1 THR A 74 1.356 4.319 13.583 1.00 0.00 O ATOM 1088 CG2 THR A 74 0.971 5.727 15.507 1.00 0.00 C ATOM 0 H THR A 74 1.075 6.033 11.540 1.00 0.00 H new ATOM 0 HA THR A 74 1.686 7.585 13.947 1.00 0.00 H new ATOM 0 HB THR A 74 2.865 5.263 14.635 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.340 3.543 14.181 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.963 4.848 16.151 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.365 6.579 16.061 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.045 5.946 15.180 1.00 0.00 H new ATOM 1096 N ARG A 75 3.961 7.883 13.011 1.00 0.00 N ATOM 1097 CA ARG A 75 5.295 8.102 12.465 1.00 0.00 C ATOM 1098 C ARG A 75 6.368 7.675 13.463 1.00 0.00 C ATOM 1099 O ARG A 75 6.551 8.308 14.504 1.00 0.00 O ATOM 1100 CB ARG A 75 5.483 9.575 12.097 1.00 0.00 C ATOM 1101 CG ARG A 75 5.091 9.899 10.664 1.00 0.00 C ATOM 1102 CD ARG A 75 6.114 9.366 9.673 1.00 0.00 C ATOM 1103 NE ARG A 75 7.206 10.311 9.452 1.00 0.00 N ATOM 1104 CZ ARG A 75 8.326 10.318 10.165 1.00 0.00 C ATOM 1105 NH1 ARG A 75 8.502 9.436 11.139 1.00 0.00 N ATOM 1106 NH2 ARG A 75 9.274 11.209 9.904 1.00 0.00 N ATOM 0 H ARG A 75 3.626 8.631 13.618 1.00 0.00 H new ATOM 0 HA ARG A 75 5.397 7.494 11.566 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.890 10.189 12.775 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.527 9.849 12.250 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.114 9.468 10.447 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.997 10.979 10.546 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.519 8.424 10.042 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.622 9.152 8.724 1.00 0.00 H new ATOM 0 HE ARG A 75 7.102 11.003 8.710 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.776 8.749 11.343 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.364 9.444 11.685 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.143 11.889 9.155 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.134 11.214 10.452 1.00 0.00 H new ATOM 1120 N THR A 76 7.076 6.598 13.139 1.00 0.00 N ATOM 1121 CA THR A 76 8.129 6.086 14.006 1.00 0.00 C ATOM 1122 C THR A 76 9.507 6.341 13.408 1.00 0.00 C ATOM 1123 O THR A 76 9.631 6.683 12.232 1.00 0.00 O ATOM 1124 CB THR A 76 7.963 4.575 14.259 1.00 0.00 C ATOM 1125 OG1 THR A 76 8.951 4.123 15.193 1.00 0.00 O ATOM 1126 CG2 THR A 76 8.089 3.792 12.961 1.00 0.00 C ATOM 0 H THR A 76 6.939 6.063 12.281 1.00 0.00 H new ATOM 0 HA THR A 76 8.044 6.618 14.954 1.00 0.00 H new ATOM 0 HB THR A 76 6.969 4.405 14.672 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.838 3.162 15.350 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.968 2.728 13.165 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.317 4.118 12.263 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.072 3.968 12.524 1.00 0.00 H new ATOM 1134 N GLY A 77 10.543 6.171 14.224 1.00 0.00 N ATOM 1135 CA GLY A 77 11.900 6.387 13.756 1.00 0.00 C ATOM 1136 C GLY A 77 12.065 7.719 13.053 1.00 0.00 C ATOM 1137 O GLY A 77 11.326 8.667 13.320 1.00 0.00 O ATOM 0 H GLY A 77 10.467 5.888 15.201 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.585 6.339 14.603 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.178 5.583 13.075 1.00 0.00 H new ATOM 1141 N LYS A 78 13.040 7.795 12.153 1.00 0.00 N ATOM 1142 CA LYS A 78 13.302 9.021 11.409 1.00 0.00 C ATOM 1143 C LYS A 78 12.637 8.977 10.037 1.00 0.00 C ATOM 1144 O LYS A 78 11.935 9.910 9.647 1.00 0.00 O ATOM 1145 CB LYS A 78 14.809 9.233 11.251 1.00 0.00 C ATOM 1146 CG LYS A 78 15.168 10.345 10.280 1.00 0.00 C ATOM 1147 CD LYS A 78 16.647 10.686 10.344 1.00 0.00 C ATOM 1148 CE LYS A 78 17.490 9.648 9.618 1.00 0.00 C ATOM 1149 NZ LYS A 78 17.614 9.953 8.166 1.00 0.00 N ATOM 0 H LYS A 78 13.662 7.021 11.921 1.00 0.00 H new ATOM 0 HA LYS A 78 12.881 9.855 11.971 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.240 9.460 12.226 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.265 8.303 10.910 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.907 10.042 9.266 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.579 11.233 10.509 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.815 11.667 9.900 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.962 10.749 11.385 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.482 9.607 10.067 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.042 8.662 9.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.195 9.223 7.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.669 9.967 7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.065 10.882 8.044 1.00 0.00 H new ATOM 1163 N ASN A 79 12.862 7.888 9.310 1.00 0.00 N ATOM 1164 CA ASN A 79 12.283 7.723 7.981 1.00 0.00 C ATOM 1165 C ASN A 79 11.327 6.535 7.948 1.00 0.00 C ATOM 1166 O ASN A 79 10.992 6.025 6.880 1.00 0.00 O ATOM 1167 CB ASN A 79 13.389 7.531 6.941 1.00 0.00 C ATOM 1168 CG ASN A 79 14.437 6.530 7.388 1.00 0.00 C ATOM 1169 OD1 ASN A 79 15.015 6.661 8.467 1.00 0.00 O ATOM 1170 ND2 ASN A 79 14.685 5.524 6.559 1.00 0.00 N ATOM 0 H ASN A 79 13.441 7.107 9.618 1.00 0.00 H new ATOM 0 HA ASN A 79 11.721 8.626 7.742 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.947 7.195 6.003 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.868 8.490 6.743 1.00 0.00 H new ATOM 0 HD21 ASN A 79 15.379 4.819 6.806 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.181 5.456 5.675 1.00 0.00 H new ATOM 1177 N ASN A 80 10.891 6.100 9.126 1.00 0.00 N ATOM 1178 CA ASN A 80 9.973 4.972 9.232 1.00 0.00 C ATOM 1179 C ASN A 80 8.528 5.454 9.324 1.00 0.00 C ATOM 1180 O ASN A 80 8.242 6.479 9.942 1.00 0.00 O ATOM 1181 CB ASN A 80 10.317 4.121 10.455 1.00 0.00 C ATOM 1182 CG ASN A 80 11.588 3.317 10.261 1.00 0.00 C ATOM 1183 OD1 ASN A 80 12.519 3.402 11.063 1.00 0.00 O ATOM 1184 ND2 ASN A 80 11.633 2.531 9.192 1.00 0.00 N ATOM 0 H ASN A 80 11.159 6.512 10.020 1.00 0.00 H new ATOM 0 HA ASN A 80 10.078 4.364 8.334 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.429 4.768 11.325 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.490 3.443 10.667 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.462 1.966 9.009 1.00 0.00 H new ATOM 0 HD22 ASN A 80 10.838 2.492 8.554 1.00 0.00 H new ATOM 1191 N VAL A 81 7.620 4.706 8.704 1.00 0.00 N ATOM 1192 CA VAL A 81 6.204 5.055 8.717 1.00 0.00 C ATOM 1193 C VAL A 81 5.340 3.832 9.004 1.00 0.00 C ATOM 1194 O VAL A 81 5.393 2.837 8.280 1.00 0.00 O ATOM 1195 CB VAL A 81 5.767 5.676 7.377 1.00 0.00 C ATOM 1196 CG1 VAL A 81 4.303 6.084 7.430 1.00 0.00 C ATOM 1197 CG2 VAL A 81 6.649 6.866 7.029 1.00 0.00 C ATOM 0 H VAL A 81 7.840 3.855 8.187 1.00 0.00 H new ATOM 0 HA VAL A 81 6.065 5.789 9.511 1.00 0.00 H new ATOM 0 HB VAL A 81 5.882 4.927 6.594 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.012 6.521 6.475 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.688 5.207 7.630 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.158 6.817 8.223 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.326 7.293 6.079 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.568 7.620 7.812 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.685 6.539 6.946 1.00 0.00 H new ATOM 1207 N LEU A 82 4.544 3.914 10.064 1.00 0.00 N ATOM 1208 CA LEU A 82 3.666 2.814 10.448 1.00 0.00 C ATOM 1209 C LEU A 82 2.222 3.105 10.050 1.00 0.00 C ATOM 1210 O LEU A 82 1.731 4.219 10.233 1.00 0.00 O ATOM 1211 CB LEU A 82 3.752 2.568 11.955 1.00 0.00 C ATOM 1212 CG LEU A 82 3.518 1.129 12.415 1.00 0.00 C ATOM 1213 CD1 LEU A 82 4.501 0.186 11.739 1.00 0.00 C ATOM 1214 CD2 LEU A 82 3.633 1.027 13.929 1.00 0.00 C ATOM 0 H LEU A 82 4.488 4.730 10.673 1.00 0.00 H new ATOM 0 HA LEU A 82 3.995 1.919 9.921 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.738 2.882 12.298 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.023 3.209 12.450 1.00 0.00 H new ATOM 0 HG LEU A 82 2.508 0.836 12.127 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.319 -0.834 12.079 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.370 0.237 10.658 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.520 0.478 11.995 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.463 -0.004 14.238 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.630 1.340 14.240 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.888 1.672 14.395 1.00 0.00 H new ATOM 1226 N ILE A 83 1.548 2.097 9.508 1.00 0.00 N ATOM 1227 CA ILE A 83 0.160 2.244 9.088 1.00 0.00 C ATOM 1228 C ILE A 83 -0.617 0.948 9.294 1.00 0.00 C ATOM 1229 O ILE A 83 -0.070 -0.145 9.155 1.00 0.00 O ATOM 1230 CB ILE A 83 0.061 2.660 7.608 1.00 0.00 C ATOM 1231 CG1 ILE A 83 0.874 1.705 6.732 1.00 0.00 C ATOM 1232 CG2 ILE A 83 0.540 4.092 7.427 1.00 0.00 C ATOM 1233 CD1 ILE A 83 0.395 1.644 5.298 1.00 0.00 C ATOM 0 H ILE A 83 1.941 1.169 9.349 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.276 3.028 9.707 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.983 2.606 7.300 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.919 2.014 6.745 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.832 0.705 7.163 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.464 4.371 6.376 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.078 4.761 8.026 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.578 4.172 7.749 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.017 0.948 4.736 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.641 1.305 5.274 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.463 2.635 4.849 1.00 0.00 H new ATOM 1245 N VAL A 84 -1.898 1.079 9.625 1.00 0.00 N ATOM 1246 CA VAL A 84 -2.753 -0.081 9.847 1.00 0.00 C ATOM 1247 C VAL A 84 -3.798 -0.212 8.745 1.00 0.00 C ATOM 1248 O VAL A 84 -4.655 0.657 8.581 1.00 0.00 O ATOM 1249 CB VAL A 84 -3.466 0.000 11.209 1.00 0.00 C ATOM 1250 CG1 VAL A 84 -4.084 -1.342 11.569 1.00 0.00 C ATOM 1251 CG2 VAL A 84 -2.499 0.458 12.290 1.00 0.00 C ATOM 0 H VAL A 84 -2.366 1.977 9.745 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.106 -0.958 9.836 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.268 0.734 11.136 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.583 -1.265 12.535 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.810 -1.625 10.807 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.302 -2.100 11.624 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.020 0.510 13.246 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.674 -0.250 12.364 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.109 1.444 12.036 1.00 0.00 H new ATOM 1261 N CYS A 85 -3.723 -1.305 7.993 1.00 0.00 N ATOM 1262 CA CYS A 85 -4.663 -1.551 6.905 1.00 0.00 C ATOM 1263 C CYS A 85 -4.818 -3.046 6.648 1.00 0.00 C ATOM 1264 O CYS A 85 -3.918 -3.833 6.940 1.00 0.00 O ATOM 1265 CB CYS A 85 -4.195 -0.847 5.630 1.00 0.00 C ATOM 1266 SG CYS A 85 -4.555 0.924 5.590 1.00 0.00 S ATOM 0 H CYS A 85 -3.021 -2.035 8.117 1.00 0.00 H new ATOM 0 HA CYS A 85 -5.633 -1.149 7.198 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -3.120 -0.991 5.522 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -4.668 -1.322 4.771 1.00 0.00 H new ATOM 0 HG CYS A 85 -4.647 1.376 6.806 1.00 0.00 H new ATOM 1272 N VAL A 86 -5.967 -3.431 6.102 1.00 0.00 N ATOM 1273 CA VAL A 86 -6.241 -4.833 5.806 1.00 0.00 C ATOM 1274 C VAL A 86 -5.541 -5.270 4.524 1.00 0.00 C ATOM 1275 O VAL A 86 -5.883 -4.840 3.423 1.00 0.00 O ATOM 1276 CB VAL A 86 -7.753 -5.092 5.667 1.00 0.00 C ATOM 1277 CG1 VAL A 86 -8.019 -6.563 5.387 1.00 0.00 C ATOM 1278 CG2 VAL A 86 -8.488 -4.637 6.919 1.00 0.00 C ATOM 0 H VAL A 86 -6.723 -2.792 5.856 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.856 -5.415 6.643 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.128 -4.513 4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.092 -6.727 5.292 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.524 -6.852 4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.631 -7.166 6.208 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.555 -4.827 6.804 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.112 -5.187 7.782 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.324 -3.570 7.070 1.00 0.00 H new ATOM 1288 N PRO A 87 -4.537 -6.148 4.669 1.00 0.00 N ATOM 1289 CA PRO A 87 -3.768 -6.665 3.532 1.00 0.00 C ATOM 1290 C PRO A 87 -4.590 -7.601 2.654 1.00 0.00 C ATOM 1291 O PRO A 87 -5.297 -8.475 3.154 1.00 0.00 O ATOM 1292 CB PRO A 87 -2.620 -7.427 4.199 1.00 0.00 C ATOM 1293 CG PRO A 87 -3.147 -7.812 5.538 1.00 0.00 C ATOM 1294 CD PRO A 87 -4.075 -6.703 5.952 1.00 0.00 C ATOM 0 HA PRO A 87 -3.439 -5.868 2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.337 -8.305 3.618 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.730 -6.804 4.288 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.674 -8.765 5.491 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -2.336 -7.931 6.257 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.906 -7.077 6.551 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.561 -5.952 6.553 1.00 0.00 H new ATOM 1302 N ASN A 88 -4.493 -7.413 1.342 1.00 0.00 N ATOM 1303 CA ASN A 88 -5.228 -8.241 0.394 1.00 0.00 C ATOM 1304 C ASN A 88 -4.284 -8.867 -0.628 1.00 0.00 C ATOM 1305 O ASN A 88 -3.661 -8.179 -1.437 1.00 0.00 O ATOM 1306 CB ASN A 88 -6.295 -7.410 -0.322 1.00 0.00 C ATOM 1307 CG ASN A 88 -7.625 -7.424 0.407 1.00 0.00 C ATOM 1308 OD1 ASN A 88 -7.699 -7.794 1.579 1.00 0.00 O ATOM 1309 ND2 ASN A 88 -8.683 -7.021 -0.287 1.00 0.00 N ATOM 0 H ASN A 88 -3.912 -6.694 0.911 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.715 -9.042 0.951 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.947 -6.381 -0.417 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.434 -7.795 -1.332 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.605 -7.009 0.149 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.574 -6.723 -1.256 1.00 0.00 H new ATOM 1316 N PRO A 89 -4.176 -10.203 -0.593 1.00 0.00 N ATOM 1317 CA PRO A 89 -4.912 -11.033 0.365 1.00 0.00 C ATOM 1318 C PRO A 89 -4.407 -10.856 1.793 1.00 0.00 C ATOM 1319 O PRO A 89 -3.372 -10.236 2.038 1.00 0.00 O ATOM 1320 CB PRO A 89 -4.648 -12.459 -0.123 1.00 0.00 C ATOM 1321 CG PRO A 89 -3.356 -12.374 -0.859 1.00 0.00 C ATOM 1322 CD PRO A 89 -3.325 -11.008 -1.486 1.00 0.00 C ATOM 0 HA PRO A 89 -5.969 -10.771 0.403 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.583 -13.157 0.711 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -5.451 -12.811 -0.771 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.512 -12.512 -0.183 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.287 -13.153 -1.618 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -2.311 -10.613 -1.538 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.714 -11.024 -2.504 1.00 0.00 H new ATOM 1330 N PRO A 90 -5.152 -11.414 2.759 1.00 0.00 N ATOM 1331 CA PRO A 90 -4.798 -11.332 4.179 1.00 0.00 C ATOM 1332 C PRO A 90 -3.563 -12.161 4.517 1.00 0.00 C ATOM 1333 O PRO A 90 -3.585 -13.389 4.425 1.00 0.00 O ATOM 1334 CB PRO A 90 -6.032 -11.898 4.885 1.00 0.00 C ATOM 1335 CG PRO A 90 -6.667 -12.794 3.879 1.00 0.00 C ATOM 1336 CD PRO A 90 -6.398 -12.168 2.538 1.00 0.00 C ATOM 0 HA PRO A 90 -4.548 -10.314 4.479 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.756 -12.447 5.785 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.712 -11.103 5.192 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.248 -13.799 3.932 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.738 -12.886 4.059 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.279 -12.921 1.759 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.214 -11.515 2.228 1.00 0.00 H new ATOM 1344 N ILE A 91 -2.490 -11.483 4.908 1.00 0.00 N ATOM 1345 CA ILE A 91 -1.247 -12.158 5.262 1.00 0.00 C ATOM 1346 C ILE A 91 -1.504 -13.318 6.217 1.00 0.00 C ATOM 1347 O ILE A 91 -0.858 -14.362 6.130 1.00 0.00 O ATOM 1348 CB ILE A 91 -0.244 -11.186 5.910 1.00 0.00 C ATOM 1349 CG1 ILE A 91 0.228 -10.149 4.889 1.00 0.00 C ATOM 1350 CG2 ILE A 91 0.941 -11.951 6.481 1.00 0.00 C ATOM 1351 CD1 ILE A 91 1.037 -9.026 5.498 1.00 0.00 C ATOM 0 H ILE A 91 -2.456 -10.467 4.988 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.821 -12.542 4.335 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.743 -10.664 6.726 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.829 -10.647 4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.641 -9.727 4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.641 -11.250 6.936 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.590 -12.655 7.236 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.441 -12.497 5.681 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.338 -8.329 4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.432 -8.502 6.238 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.925 -9.437 5.979 1.00 0.00 H new ATOM 1363 N ASP A 92 -2.453 -13.128 7.128 1.00 0.00 N ATOM 1364 CA ASP A 92 -2.798 -14.160 8.099 1.00 0.00 C ATOM 1365 C ASP A 92 -4.312 -14.315 8.212 1.00 0.00 C ATOM 1366 O ASP A 92 -5.055 -13.341 8.098 1.00 0.00 O ATOM 1367 CB ASP A 92 -2.204 -13.822 9.467 1.00 0.00 C ATOM 1368 CG ASP A 92 -2.097 -15.037 10.367 1.00 0.00 C ATOM 1369 OD1 ASP A 92 -2.862 -16.001 10.155 1.00 0.00 O ATOM 1370 OD2 ASP A 92 -1.250 -15.023 11.285 1.00 0.00 O ATOM 0 H ASP A 92 -2.997 -12.269 7.214 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.379 -15.105 7.753 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.215 -13.385 9.332 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.823 -13.067 9.952 1.00 0.00 H new ATOM 1375 N GLU A 93 -4.760 -15.546 8.435 1.00 0.00 N ATOM 1376 CA GLU A 93 -6.186 -15.828 8.561 1.00 0.00 C ATOM 1377 C GLU A 93 -6.666 -15.576 9.987 1.00 0.00 C ATOM 1378 O GLU A 93 -7.849 -15.328 10.222 1.00 0.00 O ATOM 1379 CB GLU A 93 -6.479 -17.275 8.160 1.00 0.00 C ATOM 1380 CG GLU A 93 -5.975 -18.299 9.164 1.00 0.00 C ATOM 1381 CD GLU A 93 -6.344 -19.720 8.783 1.00 0.00 C ATOM 1382 OE1 GLU A 93 -7.446 -19.918 8.230 1.00 0.00 O ATOM 1383 OE2 GLU A 93 -5.532 -20.633 9.039 1.00 0.00 O ATOM 0 H GLU A 93 -4.158 -16.363 8.532 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.724 -15.157 7.891 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.555 -17.398 8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.022 -17.474 7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.891 -18.219 9.246 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.387 -18.072 10.147 1.00 0.00 H new ATOM 1390 N LYS A 94 -5.739 -15.641 10.937 1.00 0.00 N ATOM 1391 CA LYS A 94 -6.065 -15.420 12.341 1.00 0.00 C ATOM 1392 C LYS A 94 -6.531 -13.986 12.572 1.00 0.00 C ATOM 1393 O LYS A 94 -7.550 -13.751 13.220 1.00 0.00 O ATOM 1394 CB LYS A 94 -4.851 -15.721 13.222 1.00 0.00 C ATOM 1395 CG LYS A 94 -4.687 -17.196 13.548 1.00 0.00 C ATOM 1396 CD LYS A 94 -3.833 -17.905 12.511 1.00 0.00 C ATOM 1397 CE LYS A 94 -3.295 -19.226 13.041 1.00 0.00 C ATOM 1398 NZ LYS A 94 -2.015 -19.046 13.781 1.00 0.00 N ATOM 0 H LYS A 94 -4.755 -15.845 10.760 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.877 -16.095 12.610 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.951 -15.366 12.720 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.939 -15.159 14.152 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.230 -17.303 14.532 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.667 -17.670 13.598 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.424 -18.086 11.613 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.002 -17.262 12.221 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.035 -19.681 13.700 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.141 -19.915 12.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.681 -19.968 14.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.302 -18.635 13.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.168 -18.409 14.589 1.00 0.00 H new ATOM 1412 N ASN A 95 -5.777 -13.031 12.036 1.00 0.00 N ATOM 1413 CA ASN A 95 -6.114 -11.619 12.184 1.00 0.00 C ATOM 1414 C ASN A 95 -6.661 -11.051 10.878 1.00 0.00 C ATOM 1415 O ASN A 95 -6.702 -9.836 10.687 1.00 0.00 O ATOM 1416 CB ASN A 95 -4.883 -10.823 12.624 1.00 0.00 C ATOM 1417 CG ASN A 95 -3.789 -10.823 11.574 1.00 0.00 C ATOM 1418 OD1 ASN A 95 -4.001 -10.392 10.440 1.00 0.00 O ATOM 1419 ND2 ASN A 95 -2.611 -11.309 11.947 1.00 0.00 N ATOM 0 H ASN A 95 -4.930 -13.209 11.496 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.886 -11.533 12.949 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.176 -9.795 12.839 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.493 -11.244 13.551 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.837 -11.336 11.283 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.480 -11.656 12.897 1.00 0.00 H new ATOM 1426 N ALA A 96 -7.079 -11.939 9.982 1.00 0.00 N ATOM 1427 CA ALA A 96 -7.626 -11.527 8.695 1.00 0.00 C ATOM 1428 C ALA A 96 -8.676 -10.435 8.869 1.00 0.00 C ATOM 1429 O ALA A 96 -8.472 -9.291 8.461 1.00 0.00 O ATOM 1430 CB ALA A 96 -8.220 -12.723 7.966 1.00 0.00 C ATOM 0 H ALA A 96 -7.049 -12.949 10.124 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.812 -11.119 8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.625 -12.400 7.007 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.444 -13.470 7.800 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.018 -13.157 8.569 1.00 0.00 H new ATOM 1436 N THR A 97 -9.802 -10.795 9.477 1.00 0.00 N ATOM 1437 CA THR A 97 -10.885 -9.847 9.704 1.00 0.00 C ATOM 1438 C THR A 97 -10.343 -8.463 10.043 1.00 0.00 C ATOM 1439 O THR A 97 -10.775 -7.461 9.474 1.00 0.00 O ATOM 1440 CB THR A 97 -11.813 -10.315 10.841 1.00 0.00 C ATOM 1441 OG1 THR A 97 -11.044 -10.597 12.016 1.00 0.00 O ATOM 1442 CG2 THR A 97 -12.592 -11.554 10.429 1.00 0.00 C ATOM 0 H THR A 97 -9.987 -11.737 9.821 1.00 0.00 H new ATOM 0 HA THR A 97 -11.457 -9.793 8.777 1.00 0.00 H new ATOM 0 HB THR A 97 -12.522 -9.515 11.054 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.985 -9.790 12.570 1.00 0.00 H new ATOM 0 HG21 THR A 97 -13.240 -11.865 11.248 1.00 0.00 H new ATOM 0 HG22 THR A 97 -13.199 -11.327 9.552 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.896 -12.359 10.191 1.00 0.00 H new ATOM 1450 N MET A 98 -9.393 -8.416 10.971 1.00 0.00 N ATOM 1451 CA MET A 98 -8.790 -7.153 11.383 1.00 0.00 C ATOM 1452 C MET A 98 -7.621 -6.787 10.475 1.00 0.00 C ATOM 1453 O MET A 98 -7.062 -7.629 9.772 1.00 0.00 O ATOM 1454 CB MET A 98 -8.316 -7.241 12.835 1.00 0.00 C ATOM 1455 CG MET A 98 -9.356 -6.781 13.843 1.00 0.00 C ATOM 1456 SD MET A 98 -10.838 -7.809 13.829 1.00 0.00 S ATOM 1457 CE MET A 98 -12.042 -6.676 14.517 1.00 0.00 C ATOM 0 H MET A 98 -9.024 -9.237 11.452 1.00 0.00 H new ATOM 0 HA MET A 98 -9.547 -6.373 11.302 1.00 0.00 H new ATOM 0 HB2 MET A 98 -8.039 -8.272 13.056 1.00 0.00 H new ATOM 0 HB3 MET A 98 -7.416 -6.637 12.952 1.00 0.00 H new ATOM 0 HG2 MET A 98 -8.919 -6.793 14.842 1.00 0.00 H new ATOM 0 HG3 MET A 98 -9.632 -5.749 13.629 1.00 0.00 H new ATOM 0 HE1 MET A 98 -13.013 -7.167 14.573 1.00 0.00 H new ATOM 0 HE2 MET A 98 -11.729 -6.376 15.517 1.00 0.00 H new ATOM 0 HE3 MET A 98 -12.117 -5.794 13.880 1.00 0.00 H new ATOM 1467 N PRO A 99 -7.241 -5.501 10.487 1.00 0.00 N ATOM 1468 CA PRO A 99 -6.135 -4.994 9.670 1.00 0.00 C ATOM 1469 C PRO A 99 -4.779 -5.501 10.151 1.00 0.00 C ATOM 1470 O PRO A 99 -4.656 -6.011 11.265 1.00 0.00 O ATOM 1471 CB PRO A 99 -6.231 -3.476 9.845 1.00 0.00 C ATOM 1472 CG PRO A 99 -6.909 -3.288 11.158 1.00 0.00 C ATOM 1473 CD PRO A 99 -7.862 -4.442 11.301 1.00 0.00 C ATOM 0 HA PRO A 99 -6.210 -5.323 8.634 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -5.244 -3.014 9.839 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -6.801 -3.020 9.036 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -6.185 -3.276 11.973 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -7.440 -2.337 11.190 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.970 -4.747 12.342 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.858 -4.188 10.938 1.00 0.00 H new ATOM 1481 N VAL A 100 -3.764 -5.356 9.305 1.00 0.00 N ATOM 1482 CA VAL A 100 -2.417 -5.798 9.645 1.00 0.00 C ATOM 1483 C VAL A 100 -1.484 -4.609 9.847 1.00 0.00 C ATOM 1484 O VAL A 100 -1.677 -3.546 9.257 1.00 0.00 O ATOM 1485 CB VAL A 100 -1.835 -6.714 8.553 1.00 0.00 C ATOM 1486 CG1 VAL A 100 -1.172 -5.889 7.460 1.00 0.00 C ATOM 1487 CG2 VAL A 100 -0.849 -7.703 9.157 1.00 0.00 C ATOM 0 H VAL A 100 -3.849 -4.936 8.379 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.493 -6.359 10.576 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.652 -7.278 8.104 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.767 -6.554 6.697 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.909 -5.225 7.008 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.365 -5.296 7.891 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.447 -8.343 8.371 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.034 -7.159 9.634 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.358 -8.317 9.900 1.00 0.00 H new ATOM 1497 N THR A 101 -0.468 -4.797 10.684 1.00 0.00 N ATOM 1498 CA THR A 101 0.496 -3.740 10.965 1.00 0.00 C ATOM 1499 C THR A 101 1.662 -3.786 9.985 1.00 0.00 C ATOM 1500 O THR A 101 2.482 -4.703 10.024 1.00 0.00 O ATOM 1501 CB THR A 101 1.042 -3.846 12.402 1.00 0.00 C ATOM 1502 OG1 THR A 101 -0.042 -3.931 13.333 1.00 0.00 O ATOM 1503 CG2 THR A 101 1.914 -2.646 12.738 1.00 0.00 C ATOM 0 H THR A 101 -0.292 -5.671 11.179 1.00 0.00 H new ATOM 0 HA THR A 101 -0.031 -2.792 10.854 1.00 0.00 H new ATOM 0 HB THR A 101 1.650 -4.748 12.471 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.314 -4.000 14.244 1.00 0.00 H new ATOM 0 HG21 THR A 101 2.288 -2.742 13.757 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.754 -2.602 12.045 1.00 0.00 H new ATOM 0 HG23 THR A 101 1.325 -1.733 12.653 1.00 0.00 H new ATOM 1511 N MET A 102 1.731 -2.791 9.107 1.00 0.00 N ATOM 1512 CA MET A 102 2.800 -2.717 8.118 1.00 0.00 C ATOM 1513 C MET A 102 3.665 -1.482 8.343 1.00 0.00 C ATOM 1514 O MET A 102 3.192 -0.463 8.849 1.00 0.00 O ATOM 1515 CB MET A 102 2.215 -2.694 6.704 1.00 0.00 C ATOM 1516 CG MET A 102 1.491 -3.975 6.325 1.00 0.00 C ATOM 1517 SD MET A 102 1.306 -4.167 4.541 1.00 0.00 S ATOM 1518 CE MET A 102 2.330 -5.607 4.248 1.00 0.00 C ATOM 0 H MET A 102 1.059 -2.025 9.060 1.00 0.00 H new ATOM 0 HA MET A 102 3.426 -3.602 8.230 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.522 -1.856 6.620 1.00 0.00 H new ATOM 0 HB3 MET A 102 3.019 -2.516 5.990 1.00 0.00 H new ATOM 0 HG2 MET A 102 2.039 -4.829 6.723 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.506 -3.983 6.791 1.00 0.00 H new ATOM 0 HE1 MET A 102 2.115 -6.011 3.259 1.00 0.00 H new ATOM 0 HE2 MET A 102 3.381 -5.323 4.303 1.00 0.00 H new ATOM 0 HE3 MET A 102 2.118 -6.364 5.003 1.00 0.00 H new ATOM 1528 N LEU A 103 4.935 -1.578 7.966 1.00 0.00 N ATOM 1529 CA LEU A 103 5.868 -0.467 8.127 1.00 0.00 C ATOM 1530 C LEU A 103 6.582 -0.161 6.815 1.00 0.00 C ATOM 1531 O LEU A 103 7.082 -1.065 6.144 1.00 0.00 O ATOM 1532 CB LEU A 103 6.892 -0.790 9.216 1.00 0.00 C ATOM 1533 CG LEU A 103 7.604 0.409 9.844 1.00 0.00 C ATOM 1534 CD1 LEU A 103 7.981 0.110 11.287 1.00 0.00 C ATOM 1535 CD2 LEU A 103 8.838 0.780 9.035 1.00 0.00 C ATOM 0 H LEU A 103 5.343 -2.414 7.547 1.00 0.00 H new ATOM 0 HA LEU A 103 5.299 0.414 8.422 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.388 -1.344 10.008 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.646 -1.454 8.793 1.00 0.00 H new ATOM 0 HG LEU A 103 6.920 1.258 9.837 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.487 0.974 11.718 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.080 -0.107 11.861 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.647 -0.752 11.318 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.332 1.635 9.496 1.00 0.00 H new ATOM 0 HD22 LEU A 103 9.525 -0.066 9.010 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.542 1.037 8.018 1.00 0.00 H new ATOM 1547 N ILE A 104 6.628 1.117 6.456 1.00 0.00 N ATOM 1548 CA ILE A 104 7.285 1.542 5.226 1.00 0.00 C ATOM 1549 C ILE A 104 8.669 2.114 5.511 1.00 0.00 C ATOM 1550 O ILE A 104 8.880 2.779 6.526 1.00 0.00 O ATOM 1551 CB ILE A 104 6.450 2.598 4.478 1.00 0.00 C ATOM 1552 CG1 ILE A 104 5.055 2.050 4.167 1.00 0.00 C ATOM 1553 CG2 ILE A 104 7.155 3.021 3.198 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.985 3.118 4.110 1.00 0.00 C ATOM 0 H ILE A 104 6.218 1.877 6.999 1.00 0.00 H new ATOM 0 HA ILE A 104 7.383 0.656 4.598 1.00 0.00 H new ATOM 0 HB ILE A 104 6.342 3.474 5.117 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.084 1.525 3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 104 4.784 1.316 4.926 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.553 3.768 2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.129 3.446 3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.290 2.153 2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.023 2.658 3.885 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.928 3.627 5.072 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.232 3.840 3.331 1.00 0.00 H new ATOM 1566 N ARG A 105 9.609 1.852 4.609 1.00 0.00 N ATOM 1567 CA ARG A 105 10.974 2.342 4.763 1.00 0.00 C ATOM 1568 C ARG A 105 11.468 2.988 3.472 1.00 0.00 C ATOM 1569 O ARG A 105 11.581 2.329 2.439 1.00 0.00 O ATOM 1570 CB ARG A 105 11.907 1.197 5.163 1.00 0.00 C ATOM 1571 CG ARG A 105 13.381 1.554 5.073 1.00 0.00 C ATOM 1572 CD ARG A 105 13.832 2.367 6.276 1.00 0.00 C ATOM 1573 NE ARG A 105 15.274 2.276 6.490 1.00 0.00 N ATOM 1574 CZ ARG A 105 15.860 1.273 7.133 1.00 0.00 C ATOM 1575 NH1 ARG A 105 15.131 0.279 7.623 1.00 0.00 N ATOM 1576 NH2 ARG A 105 17.178 1.261 7.286 1.00 0.00 N ATOM 0 H ARG A 105 9.451 1.303 3.764 1.00 0.00 H new ATOM 0 HA ARG A 105 10.977 3.096 5.550 1.00 0.00 H new ATOM 0 HB2 ARG A 105 11.677 0.892 6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 105 11.710 0.338 4.522 1.00 0.00 H new ATOM 0 HG2 ARG A 105 13.974 0.642 5.006 1.00 0.00 H new ATOM 0 HG3 ARG A 105 13.564 2.121 4.160 1.00 0.00 H new ATOM 0 HD2 ARG A 105 13.552 3.411 6.133 1.00 0.00 H new ATOM 0 HD3 ARG A 105 13.311 2.016 7.167 1.00 0.00 H new ATOM 0 HE ARG A 105 15.863 3.024 6.125 1.00 0.00 H new ATOM 0 HH11 ARG A 105 14.118 0.284 7.506 1.00 0.00 H new ATOM 0 HH12 ARG A 105 15.584 -0.490 8.117 1.00 0.00 H new ATOM 0 HH21 ARG A 105 17.742 2.023 6.909 1.00 0.00 H new ATOM 0 HH22 ARG A 105 17.627 0.490 7.780 1.00 0.00 H new ATOM 1590 N VAL A 106 11.762 4.283 3.539 1.00 0.00 N ATOM 1591 CA VAL A 106 12.245 5.019 2.377 1.00 0.00 C ATOM 1592 C VAL A 106 13.746 5.267 2.469 1.00 0.00 C ATOM 1593 O VAL A 106 14.388 4.902 3.454 1.00 0.00 O ATOM 1594 CB VAL A 106 11.520 6.370 2.227 1.00 0.00 C ATOM 1595 CG1 VAL A 106 10.040 6.154 1.951 1.00 0.00 C ATOM 1596 CG2 VAL A 106 11.720 7.222 3.471 1.00 0.00 C ATOM 0 H VAL A 106 11.674 4.844 4.386 1.00 0.00 H new ATOM 0 HA VAL A 106 12.035 4.404 1.502 1.00 0.00 H new ATOM 0 HB VAL A 106 11.949 6.901 1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 106 9.544 7.119 1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.921 5.585 1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.592 5.603 2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.201 8.173 3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 106 11.318 6.699 4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 106 12.784 7.406 3.619 1.00 0.00 H new ATOM 1606 N LYS A 107 14.301 5.892 1.436 1.00 0.00 N ATOM 1607 CA LYS A 107 15.727 6.192 1.399 1.00 0.00 C ATOM 1608 C LYS A 107 16.077 7.297 2.392 1.00 0.00 C ATOM 1609 O LYS A 107 16.805 7.069 3.359 1.00 0.00 O ATOM 1610 CB LYS A 107 16.145 6.610 -0.013 1.00 0.00 C ATOM 1611 CG LYS A 107 17.615 6.365 -0.310 1.00 0.00 C ATOM 1612 CD LYS A 107 18.482 7.509 0.187 1.00 0.00 C ATOM 1613 CE LYS A 107 19.941 7.309 -0.195 1.00 0.00 C ATOM 1614 NZ LYS A 107 20.707 8.585 -0.145 1.00 0.00 N ATOM 0 H LYS A 107 13.784 6.201 0.613 1.00 0.00 H new ATOM 0 HA LYS A 107 16.270 5.290 1.680 1.00 0.00 H new ATOM 0 HB2 LYS A 107 15.541 6.065 -0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 107 15.927 7.669 -0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 107 17.932 5.435 0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 107 17.755 6.241 -1.384 1.00 0.00 H new ATOM 0 HD2 LYS A 107 18.121 8.449 -0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 107 18.396 7.588 1.271 1.00 0.00 H new ATOM 0 HE2 LYS A 107 20.397 6.585 0.480 1.00 0.00 H new ATOM 0 HE3 LYS A 107 19.999 6.889 -1.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 21.696 8.407 -0.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 20.287 9.268 -0.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 20.673 8.973 0.819 1.00 0.00 H new ATOM 1628 N THR A 108 15.553 8.494 2.147 1.00 0.00 N ATOM 1629 CA THR A 108 15.809 9.633 3.019 1.00 0.00 C ATOM 1630 C THR A 108 14.535 10.084 3.724 1.00 0.00 C ATOM 1631 O THR A 108 13.446 10.031 3.152 1.00 0.00 O ATOM 1632 CB THR A 108 16.396 10.821 2.234 1.00 0.00 C ATOM 1633 OG1 THR A 108 16.479 11.974 3.079 1.00 0.00 O ATOM 1634 CG2 THR A 108 15.541 11.140 1.016 1.00 0.00 C ATOM 0 H THR A 108 14.949 8.699 1.351 1.00 0.00 H new ATOM 0 HA THR A 108 16.535 9.304 3.763 1.00 0.00 H new ATOM 0 HB THR A 108 17.395 10.546 1.896 1.00 0.00 H new ATOM 0 HG1 THR A 108 16.997 12.673 2.628 1.00 0.00 H new ATOM 0 HG21 THR A 108 15.975 11.982 0.477 1.00 0.00 H new ATOM 0 HG22 THR A 108 15.503 10.270 0.360 1.00 0.00 H new ATOM 0 HG23 THR A 108 14.531 11.396 1.337 1.00 0.00 H new ATOM 1642 N SER A 109 14.678 10.528 4.968 1.00 0.00 N ATOM 1643 CA SER A 109 13.536 10.986 5.752 1.00 0.00 C ATOM 1644 C SER A 109 12.635 11.893 4.921 1.00 0.00 C ATOM 1645 O SER A 109 11.426 11.677 4.838 1.00 0.00 O ATOM 1646 CB SER A 109 14.014 11.728 7.002 1.00 0.00 C ATOM 1647 OG SER A 109 12.950 11.924 7.917 1.00 0.00 O ATOM 0 H SER A 109 15.573 10.581 5.455 1.00 0.00 H new ATOM 0 HA SER A 109 12.960 10.112 6.055 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.811 11.161 7.483 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.435 12.692 6.718 1.00 0.00 H new ATOM 0 HG SER A 109 12.777 11.090 8.401 1.00 0.00 H new ATOM 1653 N GLU A 110 13.233 12.909 4.307 1.00 0.00 N ATOM 1654 CA GLU A 110 12.484 13.851 3.482 1.00 0.00 C ATOM 1655 C GLU A 110 11.447 13.123 2.631 1.00 0.00 C ATOM 1656 O GLU A 110 10.374 13.657 2.350 1.00 0.00 O ATOM 1657 CB GLU A 110 13.435 14.642 2.582 1.00 0.00 C ATOM 1658 CG GLU A 110 14.090 13.801 1.500 1.00 0.00 C ATOM 1659 CD GLU A 110 14.545 14.627 0.313 1.00 0.00 C ATOM 1660 OE1 GLU A 110 15.597 15.291 0.420 1.00 0.00 O ATOM 1661 OE2 GLU A 110 13.848 14.610 -0.723 1.00 0.00 O ATOM 0 H GLU A 110 14.233 13.101 4.365 1.00 0.00 H new ATOM 0 HA GLU A 110 11.964 14.542 4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 110 12.884 15.457 2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.212 15.095 3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.947 13.276 1.922 1.00 0.00 H new ATOM 0 HG3 GLU A 110 13.386 13.041 1.160 1.00 0.00 H new ATOM 1668 N ASP A 111 11.776 11.902 2.225 1.00 0.00 N ATOM 1669 CA ASP A 111 10.874 11.100 1.406 1.00 0.00 C ATOM 1670 C ASP A 111 9.679 10.622 2.224 1.00 0.00 C ATOM 1671 O ASP A 111 8.538 10.680 1.766 1.00 0.00 O ATOM 1672 CB ASP A 111 11.617 9.900 0.817 1.00 0.00 C ATOM 1673 CG ASP A 111 12.746 10.315 -0.107 1.00 0.00 C ATOM 1674 OD1 ASP A 111 12.737 11.474 -0.571 1.00 0.00 O ATOM 1675 OD2 ASP A 111 13.638 9.479 -0.366 1.00 0.00 O ATOM 0 H ASP A 111 12.660 11.446 2.449 1.00 0.00 H new ATOM 0 HA ASP A 111 10.508 11.726 0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 111 12.019 9.292 1.627 1.00 0.00 H new ATOM 0 HB3 ASP A 111 10.913 9.274 0.268 1.00 0.00 H new ATOM 1680 N ALA A 112 9.948 10.148 3.436 1.00 0.00 N ATOM 1681 CA ALA A 112 8.895 9.661 4.318 1.00 0.00 C ATOM 1682 C ALA A 112 7.848 10.740 4.570 1.00 0.00 C ATOM 1683 O ALA A 112 6.650 10.508 4.403 1.00 0.00 O ATOM 1684 CB ALA A 112 9.489 9.180 5.634 1.00 0.00 C ATOM 0 H ALA A 112 10.887 10.091 3.830 1.00 0.00 H new ATOM 0 HA ALA A 112 8.402 8.822 3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 112 8.691 8.819 6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 112 10.194 8.371 5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 112 10.008 10.005 6.122 1.00 0.00 H new ATOM 1690 N ASP A 113 8.306 11.919 4.974 1.00 0.00 N ATOM 1691 CA ASP A 113 7.408 13.035 5.250 1.00 0.00 C ATOM 1692 C ASP A 113 6.389 13.203 4.127 1.00 0.00 C ATOM 1693 O ASP A 113 5.183 13.106 4.351 1.00 0.00 O ATOM 1694 CB ASP A 113 8.206 14.328 5.429 1.00 0.00 C ATOM 1695 CG ASP A 113 7.345 15.477 5.916 1.00 0.00 C ATOM 1696 OD1 ASP A 113 6.530 15.258 6.836 1.00 0.00 O ATOM 1697 OD2 ASP A 113 7.486 16.594 5.376 1.00 0.00 O ATOM 0 H ASP A 113 9.294 12.127 5.118 1.00 0.00 H new ATOM 0 HA ASP A 113 6.872 12.818 6.174 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.015 14.157 6.140 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.668 14.601 4.480 1.00 0.00 H new ATOM 1702 N GLU A 114 6.884 13.456 2.919 1.00 0.00 N ATOM 1703 CA GLU A 114 6.016 13.639 1.762 1.00 0.00 C ATOM 1704 C GLU A 114 5.025 12.485 1.637 1.00 0.00 C ATOM 1705 O GLU A 114 3.841 12.695 1.370 1.00 0.00 O ATOM 1706 CB GLU A 114 6.850 13.751 0.484 1.00 0.00 C ATOM 1707 CG GLU A 114 6.027 14.072 -0.753 1.00 0.00 C ATOM 1708 CD GLU A 114 5.793 15.560 -0.928 1.00 0.00 C ATOM 1709 OE1 GLU A 114 4.983 16.126 -0.164 1.00 0.00 O ATOM 1710 OE2 GLU A 114 6.418 16.158 -1.829 1.00 0.00 O ATOM 0 H GLU A 114 7.880 13.539 2.717 1.00 0.00 H new ATOM 0 HA GLU A 114 5.455 14.563 1.903 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.605 14.526 0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.381 12.813 0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.536 13.682 -1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.066 13.562 -0.688 1.00 0.00 H new ATOM 1717 N LEU A 115 5.518 11.267 1.830 1.00 0.00 N ATOM 1718 CA LEU A 115 4.678 10.078 1.739 1.00 0.00 C ATOM 1719 C LEU A 115 3.531 10.144 2.742 1.00 0.00 C ATOM 1720 O LEU A 115 2.365 10.261 2.362 1.00 0.00 O ATOM 1721 CB LEU A 115 5.512 8.820 1.982 1.00 0.00 C ATOM 1722 CG LEU A 115 4.727 7.529 2.218 1.00 0.00 C ATOM 1723 CD1 LEU A 115 3.920 7.162 0.982 1.00 0.00 C ATOM 1724 CD2 LEU A 115 5.667 6.395 2.600 1.00 0.00 C ATOM 0 H LEU A 115 6.495 11.077 2.051 1.00 0.00 H new ATOM 0 HA LEU A 115 4.256 10.037 0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.167 8.671 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.153 8.995 2.846 1.00 0.00 H new ATOM 0 HG LEU A 115 4.034 7.693 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.368 6.241 1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.219 7.965 0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.594 7.017 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.091 5.484 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.384 6.231 1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.200 6.657 3.514 1.00 0.00 H new ATOM 1736 N HIS A 116 3.869 10.070 4.026 1.00 0.00 N ATOM 1737 CA HIS A 116 2.867 10.124 5.085 1.00 0.00 C ATOM 1738 C HIS A 116 1.743 11.089 4.721 1.00 0.00 C ATOM 1739 O HIS A 116 0.575 10.704 4.659 1.00 0.00 O ATOM 1740 CB HIS A 116 3.512 10.548 6.404 1.00 0.00 C ATOM 1741 CG HIS A 116 2.701 10.188 7.611 1.00 0.00 C ATOM 1742 ND1 HIS A 116 2.220 11.125 8.501 1.00 0.00 N ATOM 1743 CD2 HIS A 116 2.284 8.986 8.071 1.00 0.00 C ATOM 1744 CE1 HIS A 116 1.544 10.514 9.457 1.00 0.00 C ATOM 1745 NE2 HIS A 116 1.568 9.215 9.220 1.00 0.00 N ATOM 0 H HIS A 116 4.829 9.973 4.358 1.00 0.00 H new ATOM 0 HA HIS A 116 2.442 9.127 5.201 1.00 0.00 H new ATOM 0 HB2 HIS A 116 4.494 10.083 6.485 1.00 0.00 H new ATOM 0 HB3 HIS A 116 3.670 11.626 6.391 1.00 0.00 H new ATOM 0 HD1 HIS A 116 2.364 12.132 8.432 1.00 0.00 H new ATOM 0 HD2 HIS A 116 2.478 8.025 7.618 1.00 0.00 H new ATOM 0 HE1 HIS A 116 1.055 10.995 10.291 1.00 0.00 H new ATOM 1753 N LYS A 117 2.103 12.345 4.481 1.00 0.00 N ATOM 1754 CA LYS A 117 1.126 13.366 4.122 1.00 0.00 C ATOM 1755 C LYS A 117 0.036 12.786 3.227 1.00 0.00 C ATOM 1756 O LYS A 117 -1.124 12.691 3.627 1.00 0.00 O ATOM 1757 CB LYS A 117 1.815 14.535 3.414 1.00 0.00 C ATOM 1758 CG LYS A 117 1.020 15.828 3.459 1.00 0.00 C ATOM 1759 CD LYS A 117 1.642 16.896 2.575 1.00 0.00 C ATOM 1760 CE LYS A 117 1.119 18.281 2.923 1.00 0.00 C ATOM 1761 NZ LYS A 117 1.593 18.733 4.260 1.00 0.00 N ATOM 0 H LYS A 117 3.065 12.681 4.529 1.00 0.00 H new ATOM 0 HA LYS A 117 0.663 13.728 5.040 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.790 14.702 3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 117 1.993 14.264 2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -0.004 15.638 3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 117 0.969 16.189 4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.726 16.877 2.687 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.425 16.676 1.530 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.442 18.993 2.163 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.029 18.272 2.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 1.515 19.768 4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.010 18.295 5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 2.586 18.452 4.389 1.00 0.00 H new ATOM 1775 N ILE A 118 0.418 12.399 2.014 1.00 0.00 N ATOM 1776 CA ILE A 118 -0.527 11.825 1.064 1.00 0.00 C ATOM 1777 C ILE A 118 -1.547 10.938 1.769 1.00 0.00 C ATOM 1778 O ILE A 118 -2.751 11.189 1.709 1.00 0.00 O ATOM 1779 CB ILE A 118 0.194 11.000 -0.018 1.00 0.00 C ATOM 1780 CG1 ILE A 118 1.130 11.893 -0.834 1.00 0.00 C ATOM 1781 CG2 ILE A 118 -0.818 10.317 -0.926 1.00 0.00 C ATOM 1782 CD1 ILE A 118 2.324 11.159 -1.402 1.00 0.00 C ATOM 0 H ILE A 118 1.374 12.473 1.667 1.00 0.00 H new ATOM 0 HA ILE A 118 -1.043 12.660 0.589 1.00 0.00 H new ATOM 0 HB ILE A 118 0.792 10.231 0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.568 12.343 -1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.482 12.709 -0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.293 9.738 -1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -1.448 9.653 -0.334 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -1.440 11.071 -1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.943 11.855 -1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 118 2.910 10.732 -0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 118 1.981 10.360 -2.060 1.00 0.00 H new ATOM 1794 N LEU A 119 -1.057 9.901 2.439 1.00 0.00 N ATOM 1795 CA LEU A 119 -1.925 8.976 3.159 1.00 0.00 C ATOM 1796 C LEU A 119 -2.994 9.731 3.943 1.00 0.00 C ATOM 1797 O LEU A 119 -4.145 9.298 4.019 1.00 0.00 O ATOM 1798 CB LEU A 119 -1.100 8.105 4.108 1.00 0.00 C ATOM 1799 CG LEU A 119 -0.176 7.081 3.447 1.00 0.00 C ATOM 1800 CD1 LEU A 119 0.990 7.779 2.763 1.00 0.00 C ATOM 1801 CD2 LEU A 119 0.328 6.077 4.473 1.00 0.00 C ATOM 0 H LEU A 119 -0.063 9.680 2.499 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.420 8.337 2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.495 8.759 4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -1.785 7.573 4.769 1.00 0.00 H new ATOM 0 HG LEU A 119 -0.745 6.541 2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 119 1.637 7.035 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.610 8.458 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.559 8.345 3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 119 0.984 5.356 3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 119 0.881 6.600 5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -0.519 5.554 4.917 1.00 0.00 H new ATOM 1813 N LEU A 120 -2.606 10.861 4.523 1.00 0.00 N ATOM 1814 CA LEU A 120 -3.532 11.679 5.300 1.00 0.00 C ATOM 1815 C LEU A 120 -4.462 12.468 4.385 1.00 0.00 C ATOM 1816 O LEU A 120 -5.656 12.591 4.654 1.00 0.00 O ATOM 1817 CB LEU A 120 -2.758 12.636 6.209 1.00 0.00 C ATOM 1818 CG LEU A 120 -2.142 12.018 7.464 1.00 0.00 C ATOM 1819 CD1 LEU A 120 -3.215 11.359 8.318 1.00 0.00 C ATOM 1820 CD2 LEU A 120 -1.063 11.012 7.089 1.00 0.00 C ATOM 0 H LEU A 120 -1.657 11.232 4.470 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.138 11.014 5.915 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.960 13.095 5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.430 13.438 6.515 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.681 12.814 8.048 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -2.757 10.925 9.207 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.951 12.105 8.617 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.707 10.574 7.743 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.636 10.582 7.995 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.500 10.219 6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -0.280 11.514 6.521 1.00 0.00 H new ATOM 1832 N GLU A 121 -3.905 13.000 3.301 1.00 0.00 N ATOM 1833 CA GLU A 121 -4.685 13.776 2.345 1.00 0.00 C ATOM 1834 C GLU A 121 -5.676 12.886 1.600 1.00 0.00 C ATOM 1835 O GLU A 121 -6.694 13.358 1.093 1.00 0.00 O ATOM 1836 CB GLU A 121 -3.761 14.476 1.346 1.00 0.00 C ATOM 1837 CG GLU A 121 -3.253 15.824 1.828 1.00 0.00 C ATOM 1838 CD GLU A 121 -2.818 15.798 3.281 1.00 0.00 C ATOM 1839 OE1 GLU A 121 -2.002 14.925 3.641 1.00 0.00 O ATOM 1840 OE2 GLU A 121 -3.294 16.653 4.057 1.00 0.00 O ATOM 0 H GLU A 121 -2.917 12.908 3.064 1.00 0.00 H new ATOM 0 HA GLU A 121 -5.245 14.529 2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -2.909 13.829 1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -4.294 14.613 0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -2.413 16.135 1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -4.037 16.570 1.701 1.00 0.00 H new ATOM 1847 N LYS A 122 -5.369 11.594 1.536 1.00 0.00 N ATOM 1848 CA LYS A 122 -6.230 10.636 0.855 1.00 0.00 C ATOM 1849 C LYS A 122 -7.201 9.984 1.834 1.00 0.00 C ATOM 1850 O LYS A 122 -8.396 9.873 1.559 1.00 0.00 O ATOM 1851 CB LYS A 122 -5.387 9.561 0.165 1.00 0.00 C ATOM 1852 CG LYS A 122 -4.431 10.114 -0.878 1.00 0.00 C ATOM 1853 CD LYS A 122 -5.178 10.670 -2.079 1.00 0.00 C ATOM 1854 CE LYS A 122 -4.355 10.547 -3.352 1.00 0.00 C ATOM 1855 NZ LYS A 122 -4.805 11.506 -4.398 1.00 0.00 N ATOM 0 H LYS A 122 -4.529 11.187 1.948 1.00 0.00 H new ATOM 0 HA LYS A 122 -6.807 11.175 0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.815 9.020 0.919 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.052 8.839 -0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -3.820 10.899 -0.433 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -3.751 9.327 -1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.121 10.137 -2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.424 11.717 -1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -3.304 10.725 -3.124 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -4.430 9.530 -3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -4.219 11.391 -5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.800 11.320 -4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.710 12.478 -4.042 1.00 0.00 H new ATOM 1869 N LYS A 123 -6.681 9.555 2.979 1.00 0.00 N ATOM 1870 CA LYS A 123 -7.501 8.916 4.001 1.00 0.00 C ATOM 1871 C LYS A 123 -8.610 9.852 4.471 1.00 0.00 C ATOM 1872 O LYS A 123 -9.677 9.403 4.892 1.00 0.00 O ATOM 1873 CB LYS A 123 -6.635 8.498 5.191 1.00 0.00 C ATOM 1874 CG LYS A 123 -6.135 9.667 6.022 1.00 0.00 C ATOM 1875 CD LYS A 123 -7.106 10.014 7.138 1.00 0.00 C ATOM 1876 CE LYS A 123 -7.056 11.495 7.480 1.00 0.00 C ATOM 1877 NZ LYS A 123 -7.382 11.745 8.912 1.00 0.00 N ATOM 0 H LYS A 123 -5.694 9.639 3.223 1.00 0.00 H new ATOM 0 HA LYS A 123 -7.958 8.029 3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -7.210 7.829 5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -5.779 7.931 4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -5.162 9.422 6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -5.992 10.536 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -8.118 9.743 6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -6.868 9.427 8.025 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -6.062 11.885 7.260 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -7.758 12.038 6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -7.337 12.766 9.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -8.340 11.396 9.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -6.697 11.248 9.516 1.00 0.00 H new ATOM 1891 N ASP A 124 -8.353 11.153 4.395 1.00 0.00 N ATOM 1892 CA ASP A 124 -9.331 12.152 4.810 1.00 0.00 C ATOM 1893 C ASP A 124 -10.558 12.120 3.903 1.00 0.00 C ATOM 1894 O ASP A 124 -11.692 12.079 4.379 1.00 0.00 O ATOM 1895 CB ASP A 124 -8.705 13.547 4.794 1.00 0.00 C ATOM 1896 CG ASP A 124 -9.705 14.634 5.137 1.00 0.00 C ATOM 1897 OD1 ASP A 124 -10.408 14.492 6.160 1.00 0.00 O ATOM 1898 OD2 ASP A 124 -9.783 15.626 4.384 1.00 0.00 O ATOM 0 H ASP A 124 -7.475 11.541 4.050 1.00 0.00 H new ATOM 0 HA ASP A 124 -9.646 11.916 5.826 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -7.879 13.580 5.505 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -8.285 13.742 3.807 1.00 0.00 H new ATOM 1903 N ALA A 125 -10.321 12.142 2.596 1.00 0.00 N ATOM 1904 CA ALA A 125 -11.406 12.115 1.623 1.00 0.00 C ATOM 1905 C ALA A 125 -11.911 10.693 1.402 1.00 0.00 C ATOM 1906 O ALA A 125 -12.677 10.433 0.473 1.00 0.00 O ATOM 1907 CB ALA A 125 -10.950 12.725 0.306 1.00 0.00 C ATOM 0 H ALA A 125 -9.388 12.178 2.186 1.00 0.00 H new ATOM 0 HA ALA A 125 -12.230 12.708 2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -11.771 12.698 -0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -10.645 13.759 0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -10.107 12.156 -0.086 1.00 0.00 H new TER 1913 ALA A 125