USER MOD reduce.3.24.130724 H: found=0, std=0, add=1148, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1153 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 71 GLN : amide:sc= -0.26 K(o=1.3,f=-3.2!) USER MOD Set 1.2: B 71 GLN : amide:sc= 0.385 K(o=1.3,f=-3.2) USER MOD Set 1.3: B 75 THR OG1 : rot 76:sc= 1.22 USER MOD Set 2.1: B 39 GLN : amide:sc= 0.635 K(o=1.3,f=-3.7!) USER MOD Set 2.2: B 40 LYS NZ :NH3+ -173:sc= 0.67 (180deg=-0.115) USER MOD Set 3.1: A 31 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00694) USER MOD Set 3.2: A 35 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0962) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.0403 X(o=-0.04,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.502 K(o=0.5,f=-3.2!) USER MOD Single : A 18 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.085) USER MOD Single : A 19 TYR OH : rot 6:sc= 1.24 USER MOD Single : A 20 SER OG : rot 63:sc= 1.14 USER MOD Single : A 28 THR OG1 : rot -38:sc= 0.175 USER MOD Single : A 30 SER OG : rot -49:sc= 1.3 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 162:sc= -0.0206 (180deg=-0.223) USER MOD Single : A 57 MET CE :methyl -109:sc= -0.152 (180deg=-0.808) USER MOD Single : A 69 ASN : amide:sc= 0.861 K(o=0.86,f=-5.4!) USER MOD Single : A 73 TYR OH : rot 155:sc= 1.08 USER MOD Single : A 75 THR OG1 : rot 69:sc= 1.23 USER MOD Single : A 82 MET CE :methyl 178:sc= 0 (180deg=-0.00494) USER MOD Single : A 84 TYR OH : rot 26:sc= 1.06 USER MOD Single : A 85 ASN : amide:sc= 0.695 K(o=0.7,f=-0.19) USER MOD Single : B 3 SER OG : rot -160:sc= 0.0899 USER MOD Single : B 7 GLN : amide:sc= 0.872 K(o=0.87,f=-0.043) USER MOD Single : B 17 HIS : no HE2:sc= 0.513 K(o=0.51,f=-3.1!) USER MOD Single : B 18 LYS NZ :NH3+ -158:sc= 0.179 (180deg=0.0759) USER MOD Single : B 19 TYR OH : rot -5:sc= 1.26 USER MOD Single : B 20 SER OG : rot 172:sc= 1.21 USER MOD Single : B 27 HIS : no HD1:sc= -0.691 X(o=-0.69,f=-0.92) USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 139:sc= 1.03 (180deg=0.256) USER MOD Single : B 55 LYS NZ :NH3+ -145:sc= -0.0513 (180deg=-0.31) USER MOD Single : B 57 MET CE :methyl 159:sc= -0.0591 (180deg=-0.707) USER MOD Single : B 63 ASN : amide:sc= 0.472 K(o=0.47,f=-2.7!) USER MOD Single : B 69 ASN : amide:sc= -0.217 K(o=-0.22,f=-8.4!) USER MOD Single : B 73 TYR OH : rot 158:sc= 0.994 USER MOD Single : B 82 MET CE :methyl -171:sc=-0.00461 (180deg=-0.125) USER MOD Single : B 84 TYR OH : rot 29:sc= 1.12 USER MOD Single : B 85 ASN : amide:sc= 0.83 K(o=0.83,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -5.729 -7.555 -8.873 1.00 0.00 N ATOM 21 CA ALA A 2 -5.663 -6.296 -8.138 1.00 0.00 C ATOM 22 C ALA A 2 -6.799 -6.221 -7.115 1.00 0.00 C ATOM 23 O ALA A 2 -7.821 -5.573 -7.327 1.00 0.00 O ATOM 24 CB ALA A 2 -5.696 -5.108 -9.104 1.00 0.00 C ATOM 0 HA ALA A 2 -4.719 -6.252 -7.594 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.646 -4.178 -8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.845 -5.167 -9.782 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.621 -5.133 -9.680 1.00 0.00 H new ATOM 30 N SER A 3 -6.602 -6.926 -6.007 1.00 0.00 N ATOM 31 CA SER A 3 -7.558 -7.066 -4.926 1.00 0.00 C ATOM 32 C SER A 3 -7.804 -5.700 -4.260 1.00 0.00 C ATOM 33 O SER A 3 -6.996 -4.790 -4.451 1.00 0.00 O ATOM 34 CB SER A 3 -6.970 -8.078 -3.938 1.00 0.00 C ATOM 35 OG SER A 3 -6.555 -9.280 -4.575 1.00 0.00 O ATOM 0 H SER A 3 -5.735 -7.435 -5.835 1.00 0.00 H new ATOM 0 HA SER A 3 -8.523 -7.419 -5.289 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.119 -7.629 -3.426 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.714 -8.312 -3.176 1.00 0.00 H new ATOM 0 HG SER A 3 -6.186 -9.894 -3.906 1.00 0.00 H new ATOM 41 N PRO A 4 -8.870 -5.532 -3.454 1.00 0.00 N ATOM 42 CA PRO A 4 -9.188 -4.265 -2.805 1.00 0.00 C ATOM 43 C PRO A 4 -7.980 -3.623 -2.121 1.00 0.00 C ATOM 44 O PRO A 4 -7.705 -2.442 -2.334 1.00 0.00 O ATOM 45 CB PRO A 4 -10.321 -4.569 -1.823 1.00 0.00 C ATOM 46 CG PRO A 4 -11.038 -5.736 -2.502 1.00 0.00 C ATOM 47 CD PRO A 4 -9.887 -6.524 -3.130 1.00 0.00 C ATOM 0 HA PRO A 4 -9.494 -3.523 -3.543 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -9.943 -4.842 -0.838 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.980 -3.712 -1.685 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.597 -6.339 -1.786 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.749 -5.392 -3.253 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.500 -7.272 -2.438 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.216 -7.055 -4.023 1.00 0.00 H new ATOM 55 N LEU A 5 -7.231 -4.402 -1.334 1.00 0.00 N ATOM 56 CA LEU A 5 -5.984 -3.920 -0.760 1.00 0.00 C ATOM 57 C LEU A 5 -5.013 -3.430 -1.830 1.00 0.00 C ATOM 58 O LEU A 5 -4.436 -2.362 -1.669 1.00 0.00 O ATOM 59 CB LEU A 5 -5.296 -4.988 0.104 1.00 0.00 C ATOM 60 CG LEU A 5 -5.438 -4.839 1.623 1.00 0.00 C ATOM 61 CD1 LEU A 5 -4.446 -5.811 2.280 1.00 0.00 C ATOM 62 CD2 LEU A 5 -5.113 -3.426 2.137 1.00 0.00 C ATOM 0 H LEU A 5 -7.470 -5.362 -1.085 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.255 -3.078 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.691 -5.963 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.234 -4.991 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.478 -5.046 1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.521 -5.730 3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.680 -6.831 1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.432 -5.562 1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.235 -3.396 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.084 -3.173 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.789 -2.706 1.675 1.00 0.00 H new ATOM 74 N ASP A 6 -4.798 -4.198 -2.902 1.00 0.00 N ATOM 75 CA ASP A 6 -3.831 -3.816 -3.925 1.00 0.00 C ATOM 76 C ASP A 6 -4.252 -2.495 -4.561 1.00 0.00 C ATOM 77 O ASP A 6 -3.417 -1.626 -4.791 1.00 0.00 O ATOM 78 CB ASP A 6 -3.674 -4.904 -4.990 1.00 0.00 C ATOM 79 CG ASP A 6 -2.526 -4.567 -5.936 1.00 0.00 C ATOM 80 OD1 ASP A 6 -1.364 -4.647 -5.474 1.00 0.00 O ATOM 81 OD2 ASP A 6 -2.833 -4.240 -7.103 1.00 0.00 O ATOM 0 H ASP A 6 -5.278 -5.080 -3.080 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.859 -3.692 -3.447 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.488 -5.865 -4.511 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.601 -5.004 -5.555 1.00 0.00 H new ATOM 86 N GLN A 7 -5.551 -2.334 -4.821 1.00 0.00 N ATOM 87 CA GLN A 7 -6.103 -1.095 -5.346 1.00 0.00 C ATOM 88 C GLN A 7 -5.880 0.062 -4.362 1.00 0.00 C ATOM 89 O GLN A 7 -5.405 1.126 -4.752 1.00 0.00 O ATOM 90 CB GLN A 7 -7.585 -1.314 -5.674 1.00 0.00 C ATOM 91 CG GLN A 7 -8.217 -0.079 -6.330 1.00 0.00 C ATOM 92 CD GLN A 7 -9.605 -0.379 -6.889 1.00 0.00 C ATOM 93 OE1 GLN A 7 -9.912 -0.034 -8.024 1.00 0.00 O ATOM 94 NE2 GLN A 7 -10.459 -1.029 -6.104 1.00 0.00 N ATOM 0 H GLN A 7 -6.247 -3.064 -4.671 1.00 0.00 H new ATOM 0 HA GLN A 7 -5.588 -0.814 -6.265 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.686 -2.170 -6.341 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.127 -1.556 -4.760 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.287 0.725 -5.598 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.571 0.276 -7.133 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.178 -1.305 -5.163 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.395 -1.252 -6.443 1.00 0.00 H new ATOM 103 N ALA A 8 -6.227 -0.129 -3.087 1.00 0.00 N ATOM 104 CA ALA A 8 -6.091 0.898 -2.059 1.00 0.00 C ATOM 105 C ALA A 8 -4.623 1.310 -1.868 1.00 0.00 C ATOM 106 O ALA A 8 -4.286 2.493 -1.832 1.00 0.00 O ATOM 107 CB ALA A 8 -6.698 0.371 -0.761 1.00 0.00 C ATOM 0 H ALA A 8 -6.612 -1.007 -2.740 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.625 1.796 -2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.604 1.128 0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.752 0.142 -0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.172 -0.533 -0.454 1.00 0.00 H new ATOM 113 N ILE A 9 -3.734 0.321 -1.777 1.00 0.00 N ATOM 114 CA ILE A 9 -2.293 0.522 -1.797 1.00 0.00 C ATOM 115 C ILE A 9 -1.938 1.328 -3.048 1.00 0.00 C ATOM 116 O ILE A 9 -1.291 2.366 -2.948 1.00 0.00 O ATOM 117 CB ILE A 9 -1.585 -0.846 -1.731 1.00 0.00 C ATOM 118 CG1 ILE A 9 -1.734 -1.443 -0.319 1.00 0.00 C ATOM 119 CG2 ILE A 9 -0.103 -0.735 -2.106 1.00 0.00 C ATOM 120 CD1 ILE A 9 -1.355 -2.927 -0.262 1.00 0.00 C ATOM 0 H ILE A 9 -4.004 -0.658 -1.686 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.953 1.089 -0.931 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.059 -1.506 -2.457 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.106 -0.885 0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.764 -1.322 0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.362 -1.719 -2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.013 -0.351 -3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.397 -0.056 -1.415 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.479 -3.295 0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.000 -3.493 -0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.316 -3.049 -0.568 1.00 0.00 H new ATOM 132 N GLY A 10 -2.394 0.871 -4.217 1.00 0.00 N ATOM 133 CA GLY A 10 -2.242 1.544 -5.497 1.00 0.00 C ATOM 134 C GLY A 10 -2.600 3.025 -5.407 1.00 0.00 C ATOM 135 O GLY A 10 -1.844 3.870 -5.874 1.00 0.00 O ATOM 0 H GLY A 10 -2.898 -0.013 -4.294 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.213 1.439 -5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.878 1.061 -6.239 1.00 0.00 H new ATOM 139 N LEU A 11 -3.736 3.352 -4.789 1.00 0.00 N ATOM 140 CA LEU A 11 -4.135 4.726 -4.517 1.00 0.00 C ATOM 141 C LEU A 11 -3.051 5.465 -3.718 1.00 0.00 C ATOM 142 O LEU A 11 -2.581 6.513 -4.158 1.00 0.00 O ATOM 143 CB LEU A 11 -5.510 4.742 -3.823 1.00 0.00 C ATOM 144 CG LEU A 11 -6.666 4.844 -4.829 1.00 0.00 C ATOM 145 CD1 LEU A 11 -7.923 4.142 -4.304 1.00 0.00 C ATOM 146 CD2 LEU A 11 -6.993 6.318 -5.089 1.00 0.00 C ATOM 0 H LEU A 11 -4.410 2.660 -4.461 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.239 5.268 -5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.626 3.835 -3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.557 5.584 -3.132 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.353 4.356 -5.752 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.723 4.232 -5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.706 3.088 -4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.235 4.606 -3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.814 6.388 -5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.284 6.797 -4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.115 6.819 -5.495 1.00 0.00 H new ATOM 158 N LEU A 12 -2.627 4.936 -2.564 1.00 0.00 N ATOM 159 CA LEU A 12 -1.592 5.586 -1.751 1.00 0.00 C ATOM 160 C LEU A 12 -0.285 5.779 -2.540 1.00 0.00 C ATOM 161 O LEU A 12 0.328 6.849 -2.475 1.00 0.00 O ATOM 162 CB LEU A 12 -1.349 4.820 -0.437 1.00 0.00 C ATOM 163 CG LEU A 12 -2.256 5.291 0.715 1.00 0.00 C ATOM 164 CD1 LEU A 12 -3.740 5.097 0.405 1.00 0.00 C ATOM 165 CD2 LEU A 12 -1.926 4.518 1.996 1.00 0.00 C ATOM 0 H LEU A 12 -2.983 4.063 -2.173 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.960 6.579 -1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.513 3.756 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.306 4.939 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.067 6.356 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.336 5.445 1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.003 5.668 -0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.940 4.040 0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.573 4.859 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.085 3.453 1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.885 4.691 2.268 1.00 0.00 H new ATOM 177 N ILE A 13 0.147 4.753 -3.278 1.00 0.00 N ATOM 178 CA ILE A 13 1.305 4.832 -4.168 1.00 0.00 C ATOM 179 C ILE A 13 1.109 5.958 -5.182 1.00 0.00 C ATOM 180 O ILE A 13 1.972 6.820 -5.322 1.00 0.00 O ATOM 181 CB ILE A 13 1.554 3.486 -4.878 1.00 0.00 C ATOM 182 CG1 ILE A 13 1.930 2.400 -3.855 1.00 0.00 C ATOM 183 CG2 ILE A 13 2.665 3.618 -5.936 1.00 0.00 C ATOM 184 CD1 ILE A 13 2.080 1.033 -4.524 1.00 0.00 C ATOM 0 H ILE A 13 -0.302 3.837 -3.273 1.00 0.00 H new ATOM 0 HA ILE A 13 2.188 5.053 -3.568 1.00 0.00 H new ATOM 0 HB ILE A 13 0.631 3.196 -5.381 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.864 2.670 -3.362 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.164 2.346 -3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.821 2.655 -6.422 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.372 4.357 -6.681 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.590 3.935 -5.455 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.346 0.288 -3.774 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.138 0.753 -4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.863 1.082 -5.280 1.00 0.00 H new ATOM 196 N GLY A 14 -0.011 5.942 -5.904 1.00 0.00 N ATOM 197 CA GLY A 14 -0.334 6.924 -6.923 1.00 0.00 C ATOM 198 C GLY A 14 -0.245 8.329 -6.343 1.00 0.00 C ATOM 199 O GLY A 14 0.431 9.192 -6.898 1.00 0.00 O ATOM 0 H GLY A 14 -0.731 5.228 -5.790 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.352 6.825 -7.764 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.338 6.744 -7.307 1.00 0.00 H new ATOM 203 N ILE A 15 -0.897 8.544 -5.200 1.00 0.00 N ATOM 204 CA ILE A 15 -0.843 9.803 -4.476 1.00 0.00 C ATOM 205 C ILE A 15 0.610 10.186 -4.172 1.00 0.00 C ATOM 206 O ILE A 15 0.993 11.330 -4.393 1.00 0.00 O ATOM 207 CB ILE A 15 -1.708 9.713 -3.208 1.00 0.00 C ATOM 208 CG1 ILE A 15 -3.208 9.614 -3.552 1.00 0.00 C ATOM 209 CG2 ILE A 15 -1.422 10.898 -2.282 1.00 0.00 C ATOM 210 CD1 ILE A 15 -3.885 10.949 -3.869 1.00 0.00 C ATOM 0 H ILE A 15 -1.482 7.839 -4.751 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.254 10.600 -5.096 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.442 8.797 -2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.326 8.951 -4.409 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.728 9.149 -2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.042 10.820 -1.389 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.370 10.890 -1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.650 11.829 -2.801 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.937 10.778 -4.098 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.804 11.611 -3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.397 11.410 -4.728 1.00 0.00 H new ATOM 222 N PHE A 16 1.431 9.253 -3.677 1.00 0.00 N ATOM 223 CA PHE A 16 2.843 9.547 -3.456 1.00 0.00 C ATOM 224 C PHE A 16 3.493 10.028 -4.755 1.00 0.00 C ATOM 225 O PHE A 16 4.038 11.129 -4.825 1.00 0.00 O ATOM 226 CB PHE A 16 3.578 8.317 -2.910 1.00 0.00 C ATOM 227 CG PHE A 16 5.016 8.587 -2.517 1.00 0.00 C ATOM 228 CD1 PHE A 16 5.294 9.351 -1.369 1.00 0.00 C ATOM 229 CD2 PHE A 16 6.078 8.072 -3.287 1.00 0.00 C ATOM 230 CE1 PHE A 16 6.620 9.516 -0.936 1.00 0.00 C ATOM 231 CE2 PHE A 16 7.407 8.274 -2.875 1.00 0.00 C ATOM 232 CZ PHE A 16 7.676 8.983 -1.690 1.00 0.00 C ATOM 0 H PHE A 16 1.145 8.306 -3.427 1.00 0.00 H new ATOM 0 HA PHE A 16 2.916 10.341 -2.713 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.039 7.939 -2.041 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.559 7.530 -3.664 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.486 9.812 -0.820 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.871 7.522 -4.193 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.827 10.053 -0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.221 7.885 -3.468 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.696 9.117 -1.361 1.00 0.00 H new ATOM 242 N HIS A 17 3.421 9.190 -5.792 1.00 0.00 N ATOM 243 CA HIS A 17 4.059 9.424 -7.075 1.00 0.00 C ATOM 244 C HIS A 17 3.613 10.757 -7.681 1.00 0.00 C ATOM 245 O HIS A 17 4.425 11.446 -8.295 1.00 0.00 O ATOM 246 CB HIS A 17 3.776 8.243 -8.013 1.00 0.00 C ATOM 247 CG HIS A 17 4.656 8.210 -9.241 1.00 0.00 C ATOM 248 ND1 HIS A 17 5.227 9.294 -9.870 1.00 0.00 N ATOM 249 CD2 HIS A 17 5.063 7.086 -9.910 1.00 0.00 C ATOM 250 CE1 HIS A 17 5.960 8.830 -10.896 1.00 0.00 C ATOM 251 NE2 HIS A 17 5.890 7.491 -10.962 1.00 0.00 N ATOM 0 H HIS A 17 2.904 8.312 -5.755 1.00 0.00 H new ATOM 0 HA HIS A 17 5.137 9.495 -6.930 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.907 7.313 -7.460 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.733 8.283 -8.327 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.114 10.272 -9.605 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.793 6.069 -9.668 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.528 9.449 -11.575 1.00 0.00 H new ATOM 259 N LYS A 18 2.342 11.122 -7.507 1.00 0.00 N ATOM 260 CA LYS A 18 1.763 12.370 -7.984 1.00 0.00 C ATOM 261 C LYS A 18 2.599 13.587 -7.563 1.00 0.00 C ATOM 262 O LYS A 18 2.648 14.566 -8.305 1.00 0.00 O ATOM 263 CB LYS A 18 0.307 12.446 -7.499 1.00 0.00 C ATOM 264 CG LYS A 18 -0.484 13.650 -8.023 1.00 0.00 C ATOM 265 CD LYS A 18 -1.931 13.637 -7.494 1.00 0.00 C ATOM 266 CE LYS A 18 -2.781 12.456 -7.981 1.00 0.00 C ATOM 267 NZ LYS A 18 -2.813 12.360 -9.451 1.00 0.00 N ATOM 0 H LYS A 18 1.669 10.535 -7.014 1.00 0.00 H new ATOM 0 HA LYS A 18 1.769 12.388 -9.074 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.208 11.533 -7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.303 12.473 -6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.009 14.573 -7.719 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.492 13.637 -9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.905 13.623 -6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.420 14.565 -7.790 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.383 11.529 -7.567 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.798 12.563 -7.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.503 11.636 -9.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.088 13.279 -9.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.870 12.097 -9.802 1.00 0.00 H new ATOM 281 N TYR A 19 3.257 13.534 -6.397 1.00 0.00 N ATOM 282 CA TYR A 19 4.118 14.612 -5.917 1.00 0.00 C ATOM 283 C TYR A 19 5.588 14.189 -5.992 1.00 0.00 C ATOM 284 O TYR A 19 6.398 14.880 -6.608 1.00 0.00 O ATOM 285 CB TYR A 19 3.686 15.046 -4.510 1.00 0.00 C ATOM 286 CG TYR A 19 2.311 15.695 -4.477 1.00 0.00 C ATOM 287 CD1 TYR A 19 1.159 14.891 -4.542 1.00 0.00 C ATOM 288 CD2 TYR A 19 2.173 17.098 -4.460 1.00 0.00 C ATOM 289 CE1 TYR A 19 -0.117 15.475 -4.590 1.00 0.00 C ATOM 290 CE2 TYR A 19 0.897 17.683 -4.531 1.00 0.00 C ATOM 291 CZ TYR A 19 -0.247 16.872 -4.606 1.00 0.00 C ATOM 292 OH TYR A 19 -1.476 17.447 -4.730 1.00 0.00 O ATOM 0 H TYR A 19 3.204 12.738 -5.762 1.00 0.00 H new ATOM 0 HA TYR A 19 4.012 15.485 -6.561 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.686 14.176 -3.853 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.420 15.746 -4.112 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.257 13.815 -4.555 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.050 17.725 -4.392 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.997 14.850 -4.615 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.796 18.758 -4.528 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.167 16.752 -4.703 1.00 0.00 H new ATOM 302 N SER A 20 5.941 13.043 -5.401 1.00 0.00 N ATOM 303 CA SER A 20 7.311 12.533 -5.385 1.00 0.00 C ATOM 304 C SER A 20 7.885 12.464 -6.802 1.00 0.00 C ATOM 305 O SER A 20 9.042 12.810 -7.018 1.00 0.00 O ATOM 306 CB SER A 20 7.379 11.171 -4.678 1.00 0.00 C ATOM 307 OG SER A 20 8.726 10.764 -4.511 1.00 0.00 O ATOM 0 H SER A 20 5.276 12.440 -4.917 1.00 0.00 H new ATOM 0 HA SER A 20 7.929 13.228 -4.817 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.889 11.234 -3.706 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.837 10.425 -5.260 1.00 0.00 H new ATOM 0 HG SER A 20 9.189 11.399 -3.926 1.00 0.00 H new ATOM 415 N THR A 28 11.517 10.048 -2.544 1.00 0.00 N ATOM 416 CA THR A 28 11.365 10.859 -1.350 1.00 0.00 C ATOM 417 C THR A 28 10.571 12.116 -1.714 1.00 0.00 C ATOM 418 O THR A 28 10.310 12.366 -2.892 1.00 0.00 O ATOM 419 CB THR A 28 12.751 11.235 -0.793 1.00 0.00 C ATOM 420 OG1 THR A 28 13.526 11.855 -1.798 1.00 0.00 O ATOM 421 CG2 THR A 28 13.539 10.038 -0.250 1.00 0.00 C ATOM 0 HA THR A 28 10.830 10.302 -0.581 1.00 0.00 H new ATOM 0 HB THR A 28 12.562 11.913 0.039 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.356 11.418 -2.659 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.504 10.378 0.125 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.979 9.571 0.560 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.695 9.313 -1.049 1.00 0.00 H new ATOM 429 N LEU A 29 10.164 12.890 -0.707 1.00 0.00 N ATOM 430 CA LEU A 29 9.601 14.226 -0.866 1.00 0.00 C ATOM 431 C LEU A 29 9.698 14.949 0.479 1.00 0.00 C ATOM 432 O LEU A 29 10.088 14.323 1.460 1.00 0.00 O ATOM 433 CB LEU A 29 8.188 14.182 -1.473 1.00 0.00 C ATOM 434 CG LEU A 29 7.266 13.056 -0.981 1.00 0.00 C ATOM 435 CD1 LEU A 29 7.095 13.057 0.539 1.00 0.00 C ATOM 436 CD2 LEU A 29 5.895 13.225 -1.636 1.00 0.00 C ATOM 0 H LEU A 29 10.220 12.594 0.268 1.00 0.00 H new ATOM 0 HA LEU A 29 10.174 14.803 -1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.700 15.135 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.284 14.096 -2.555 1.00 0.00 H new ATOM 0 HG LEU A 29 7.725 12.107 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.434 12.241 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.067 12.925 1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.662 14.006 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.229 12.432 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.477 14.193 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.000 13.171 -2.720 1.00 0.00 H new ATOM 448 N SER A 30 9.416 16.255 0.543 1.00 0.00 N ATOM 449 CA SER A 30 9.687 17.064 1.729 1.00 0.00 C ATOM 450 C SER A 30 8.455 17.835 2.205 1.00 0.00 C ATOM 451 O SER A 30 7.421 17.856 1.540 1.00 0.00 O ATOM 452 CB SER A 30 10.848 18.020 1.425 1.00 0.00 C ATOM 453 OG SER A 30 10.433 19.057 0.554 1.00 0.00 O ATOM 0 H SER A 30 8.995 16.777 -0.226 1.00 0.00 H new ATOM 0 HA SER A 30 9.961 16.395 2.545 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.224 18.448 2.354 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.671 17.467 0.972 1.00 0.00 H new ATOM 0 HG SER A 30 9.956 18.671 -0.210 1.00 0.00 H new ATOM 459 N LYS A 31 8.610 18.493 3.359 1.00 0.00 N ATOM 460 CA LYS A 31 7.671 19.389 4.022 1.00 0.00 C ATOM 461 C LYS A 31 6.685 20.086 3.082 1.00 0.00 C ATOM 462 O LYS A 31 5.476 19.980 3.266 1.00 0.00 O ATOM 463 CB LYS A 31 8.451 20.379 4.906 1.00 0.00 C ATOM 464 CG LYS A 31 9.525 21.204 4.175 1.00 0.00 C ATOM 465 CD LYS A 31 10.606 21.719 5.141 1.00 0.00 C ATOM 466 CE LYS A 31 10.055 22.522 6.325 1.00 0.00 C ATOM 467 NZ LYS A 31 9.273 23.690 5.884 1.00 0.00 N ATOM 0 H LYS A 31 9.473 18.400 3.895 1.00 0.00 H new ATOM 0 HA LYS A 31 7.027 18.774 4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.742 21.065 5.369 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.929 19.823 5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.990 20.592 3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.055 22.049 3.672 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.171 20.869 5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.306 22.344 4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.427 21.877 6.940 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.881 22.855 6.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.962 24.233 6.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.863 24.294 5.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.441 23.369 5.349 1.00 0.00 H new ATOM 481 N LYS A 32 7.193 20.799 2.074 1.00 0.00 N ATOM 482 CA LYS A 32 6.379 21.495 1.098 1.00 0.00 C ATOM 483 C LYS A 32 5.405 20.519 0.427 1.00 0.00 C ATOM 484 O LYS A 32 4.190 20.719 0.458 1.00 0.00 O ATOM 485 CB LYS A 32 7.329 22.174 0.096 1.00 0.00 C ATOM 486 CG LYS A 32 6.625 22.829 -1.098 1.00 0.00 C ATOM 487 CD LYS A 32 5.505 23.791 -0.686 1.00 0.00 C ATOM 488 CE LYS A 32 6.031 25.006 0.085 1.00 0.00 C ATOM 489 NZ LYS A 32 4.947 25.957 0.385 1.00 0.00 N ATOM 0 H LYS A 32 8.195 20.905 1.918 1.00 0.00 H new ATOM 0 HA LYS A 32 5.762 22.261 1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.910 22.932 0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.036 21.432 -0.276 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.360 23.371 -1.692 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.209 22.051 -1.738 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.976 24.131 -1.576 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.781 23.258 -0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.497 24.677 1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.804 25.504 -0.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.333 26.769 0.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.520 26.288 -0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.222 25.486 0.963 1.00 0.00 H new ATOM 503 N GLU A 33 5.945 19.447 -0.154 1.00 0.00 N ATOM 504 CA GLU A 33 5.152 18.444 -0.843 1.00 0.00 C ATOM 505 C GLU A 33 4.191 17.763 0.128 1.00 0.00 C ATOM 506 O GLU A 33 3.092 17.414 -0.275 1.00 0.00 O ATOM 507 CB GLU A 33 6.040 17.393 -1.513 1.00 0.00 C ATOM 508 CG GLU A 33 6.895 17.942 -2.664 1.00 0.00 C ATOM 509 CD GLU A 33 8.111 18.717 -2.174 1.00 0.00 C ATOM 510 OE1 GLU A 33 8.947 18.076 -1.498 1.00 0.00 O ATOM 511 OE2 GLU A 33 8.173 19.933 -2.452 1.00 0.00 O ATOM 0 H GLU A 33 6.947 19.255 -0.157 1.00 0.00 H new ATOM 0 HA GLU A 33 4.580 18.954 -1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.698 16.955 -0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.410 16.589 -1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.225 17.115 -3.293 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.282 18.592 -3.289 1.00 0.00 H new ATOM 518 N LEU A 34 4.591 17.549 1.383 1.00 0.00 N ATOM 519 CA LEU A 34 3.735 16.925 2.388 1.00 0.00 C ATOM 520 C LEU A 34 2.541 17.822 2.734 1.00 0.00 C ATOM 521 O LEU A 34 1.394 17.369 2.729 1.00 0.00 O ATOM 522 CB LEU A 34 4.551 16.586 3.639 1.00 0.00 C ATOM 523 CG LEU A 34 5.569 15.463 3.387 1.00 0.00 C ATOM 524 CD1 LEU A 34 6.604 15.478 4.511 1.00 0.00 C ATOM 525 CD2 LEU A 34 4.893 14.084 3.336 1.00 0.00 C ATOM 0 H LEU A 34 5.516 17.804 1.729 1.00 0.00 H new ATOM 0 HA LEU A 34 3.337 15.999 1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.076 17.478 3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.875 16.287 4.440 1.00 0.00 H new ATOM 0 HG LEU A 34 6.043 15.638 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.333 14.685 4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.113 16.442 4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.105 15.317 5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.646 13.316 3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.394 13.888 4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.159 14.068 2.530 1.00 0.00 H new ATOM 537 N LYS A 35 2.801 19.095 3.039 1.00 0.00 N ATOM 538 CA LYS A 35 1.747 20.060 3.326 1.00 0.00 C ATOM 539 C LYS A 35 0.815 20.194 2.121 1.00 0.00 C ATOM 540 O LYS A 35 -0.405 20.186 2.288 1.00 0.00 O ATOM 541 CB LYS A 35 2.347 21.405 3.750 1.00 0.00 C ATOM 542 CG LYS A 35 2.910 21.308 5.176 1.00 0.00 C ATOM 543 CD LYS A 35 3.545 22.620 5.650 1.00 0.00 C ATOM 544 CE LYS A 35 4.870 22.907 4.935 1.00 0.00 C ATOM 545 NZ LYS A 35 5.530 24.102 5.489 1.00 0.00 N ATOM 0 H LYS A 35 3.744 19.481 3.093 1.00 0.00 H new ATOM 0 HA LYS A 35 1.149 19.701 4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.138 21.693 3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.584 22.182 3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.109 21.028 5.860 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.655 20.513 5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.852 23.443 5.474 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.716 22.572 6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.532 22.046 5.031 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.687 23.051 3.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.320 24.380 4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.845 24.882 5.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.892 23.889 6.440 1.00 0.00 H new ATOM 559 N GLU A 36 1.375 20.274 0.907 1.00 0.00 N ATOM 560 CA GLU A 36 0.554 20.203 -0.292 1.00 0.00 C ATOM 561 C GLU A 36 -0.267 18.914 -0.277 1.00 0.00 C ATOM 562 O GLU A 36 -1.481 18.999 -0.201 1.00 0.00 O ATOM 563 CB GLU A 36 1.386 20.334 -1.571 1.00 0.00 C ATOM 564 CG GLU A 36 1.917 21.760 -1.745 1.00 0.00 C ATOM 565 CD GLU A 36 2.833 21.854 -2.959 1.00 0.00 C ATOM 566 OE1 GLU A 36 3.966 21.336 -2.858 1.00 0.00 O ATOM 567 OE2 GLU A 36 2.380 22.433 -3.970 1.00 0.00 O ATOM 0 H GLU A 36 2.375 20.386 0.738 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.129 21.052 -0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.221 19.634 -1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.777 20.063 -2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.082 22.452 -1.860 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.461 22.062 -0.850 1.00 0.00 H new ATOM 574 N LEU A 37 0.369 17.741 -0.339 1.00 0.00 N ATOM 575 CA LEU A 37 -0.272 16.428 -0.319 1.00 0.00 C ATOM 576 C LEU A 37 -1.496 16.418 0.588 1.00 0.00 C ATOM 577 O LEU A 37 -2.605 16.178 0.117 1.00 0.00 O ATOM 578 CB LEU A 37 0.708 15.342 0.161 1.00 0.00 C ATOM 579 CG LEU A 37 1.421 14.609 -0.979 1.00 0.00 C ATOM 580 CD1 LEU A 37 2.641 13.868 -0.429 1.00 0.00 C ATOM 581 CD2 LEU A 37 0.475 13.580 -1.604 1.00 0.00 C ATOM 0 H LEU A 37 1.385 17.680 -0.407 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.583 16.214 -1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.455 15.800 0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.164 14.615 0.764 1.00 0.00 H new ATOM 0 HG LEU A 37 1.729 15.339 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.147 13.347 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.326 14.583 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.320 13.145 0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.986 13.061 -2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.170 12.858 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.406 14.087 -1.997 1.00 0.00 H new ATOM 593 N ILE A 38 -1.296 16.666 1.885 1.00 0.00 N ATOM 594 CA ILE A 38 -2.395 16.564 2.828 1.00 0.00 C ATOM 595 C ILE A 38 -3.500 17.563 2.452 1.00 0.00 C ATOM 596 O ILE A 38 -4.646 17.164 2.268 1.00 0.00 O ATOM 597 CB ILE A 38 -1.879 16.625 4.283 1.00 0.00 C ATOM 598 CG1 ILE A 38 -2.890 15.970 5.236 1.00 0.00 C ATOM 599 CG2 ILE A 38 -1.518 18.037 4.742 1.00 0.00 C ATOM 600 CD1 ILE A 38 -2.412 15.927 6.690 1.00 0.00 C ATOM 0 H ILE A 38 -0.400 16.933 2.293 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.873 15.586 2.767 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.947 16.060 4.309 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.832 16.516 5.187 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.093 14.954 4.897 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.163 18.005 5.772 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.734 18.439 4.100 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.399 18.676 4.681 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.173 15.452 7.309 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.486 15.356 6.752 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.237 16.942 7.046 1.00 0.00 H new ATOM 612 N GLN A 39 -3.164 18.844 2.258 1.00 0.00 N ATOM 613 CA GLN A 39 -4.152 19.876 1.959 1.00 0.00 C ATOM 614 C GLN A 39 -4.920 19.594 0.656 1.00 0.00 C ATOM 615 O GLN A 39 -6.125 19.819 0.577 1.00 0.00 O ATOM 616 CB GLN A 39 -3.435 21.231 1.909 1.00 0.00 C ATOM 617 CG GLN A 39 -4.412 22.402 1.738 1.00 0.00 C ATOM 618 CD GLN A 39 -3.697 23.745 1.839 1.00 0.00 C ATOM 619 OE1 GLN A 39 -4.010 24.561 2.699 1.00 0.00 O ATOM 620 NE2 GLN A 39 -2.725 23.989 0.965 1.00 0.00 N ATOM 0 H GLN A 39 -2.205 19.188 2.304 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.905 19.884 2.747 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.862 21.370 2.826 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.722 21.232 1.084 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.909 22.325 0.771 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.189 22.344 2.501 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.486 23.291 0.260 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.218 24.874 0.999 1.00 0.00 H new ATOM 629 N LYS A 40 -4.207 19.154 -0.381 1.00 0.00 N ATOM 630 CA LYS A 40 -4.733 18.928 -1.716 1.00 0.00 C ATOM 631 C LYS A 40 -5.612 17.678 -1.714 1.00 0.00 C ATOM 632 O LYS A 40 -6.757 17.701 -2.160 1.00 0.00 O ATOM 633 CB LYS A 40 -3.578 18.708 -2.715 1.00 0.00 C ATOM 634 CG LYS A 40 -2.486 19.792 -2.778 1.00 0.00 C ATOM 635 CD LYS A 40 -2.504 20.620 -4.065 1.00 0.00 C ATOM 636 CE LYS A 40 -3.582 21.695 -3.951 1.00 0.00 C ATOM 637 NZ LYS A 40 -3.690 22.485 -5.190 1.00 0.00 N ATOM 0 H LYS A 40 -3.213 18.939 -0.306 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.314 19.801 -2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.099 17.759 -2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.008 18.603 -3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.603 20.461 -1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.510 19.317 -2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.530 21.080 -4.230 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.702 19.978 -4.923 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.542 21.227 -3.732 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.351 22.356 -3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.431 23.206 -5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.781 22.950 -5.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.934 21.857 -5.982 1.00 0.00 H new ATOM 651 N GLU A 41 -5.029 16.568 -1.256 1.00 0.00 N ATOM 652 CA GLU A 41 -5.597 15.241 -1.401 1.00 0.00 C ATOM 653 C GLU A 41 -6.579 14.886 -0.284 1.00 0.00 C ATOM 654 O GLU A 41 -7.437 14.035 -0.508 1.00 0.00 O ATOM 655 CB GLU A 41 -4.474 14.205 -1.520 1.00 0.00 C ATOM 656 CG GLU A 41 -3.436 14.538 -2.606 1.00 0.00 C ATOM 657 CD GLU A 41 -4.033 14.740 -3.995 1.00 0.00 C ATOM 658 OE1 GLU A 41 -4.922 13.943 -4.363 1.00 0.00 O ATOM 659 OE2 GLU A 41 -3.561 15.679 -4.676 1.00 0.00 O ATOM 0 H GLU A 41 -4.134 16.574 -0.767 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.185 15.233 -2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.967 14.121 -0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.912 13.231 -1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.901 15.442 -2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.702 13.734 -2.651 1.00 0.00 H new ATOM 666 N LEU A 42 -6.463 15.497 0.901 1.00 0.00 N ATOM 667 CA LEU A 42 -7.482 15.416 1.941 1.00 0.00 C ATOM 668 C LEU A 42 -8.206 16.756 1.969 1.00 0.00 C ATOM 669 O LEU A 42 -7.819 17.672 2.691 1.00 0.00 O ATOM 670 CB LEU A 42 -6.886 15.067 3.313 1.00 0.00 C ATOM 671 CG LEU A 42 -6.318 13.644 3.393 1.00 0.00 C ATOM 672 CD1 LEU A 42 -5.800 13.401 4.808 1.00 0.00 C ATOM 673 CD2 LEU A 42 -7.395 12.592 3.121 1.00 0.00 C ATOM 0 H LEU A 42 -5.655 16.062 1.161 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.179 14.609 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.094 15.779 3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.656 15.185 4.075 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.530 13.557 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.393 12.392 4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.018 14.124 5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.618 13.513 5.519 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.956 11.596 3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.191 12.687 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.807 12.742 2.123 1.00 0.00 H new ATOM 794 N ASP A 50 -7.962 16.735 15.789 1.00 0.00 N ATOM 795 CA ASP A 50 -6.635 17.321 15.967 1.00 0.00 C ATOM 796 C ASP A 50 -5.643 16.762 14.954 1.00 0.00 C ATOM 797 O ASP A 50 -4.829 17.518 14.432 1.00 0.00 O ATOM 798 CB ASP A 50 -6.102 17.183 17.402 1.00 0.00 C ATOM 799 CG ASP A 50 -5.897 15.753 17.882 1.00 0.00 C ATOM 800 OD1 ASP A 50 -4.811 15.213 17.585 1.00 0.00 O ATOM 801 OD2 ASP A 50 -6.806 15.244 18.571 1.00 0.00 O ATOM 0 HA ASP A 50 -6.747 18.390 15.784 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.152 17.713 17.472 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.795 17.681 18.080 1.00 0.00 H new ATOM 806 N ALA A 51 -5.709 15.456 14.679 1.00 0.00 N ATOM 807 CA ALA A 51 -4.762 14.724 13.847 1.00 0.00 C ATOM 808 C ALA A 51 -4.197 15.545 12.685 1.00 0.00 C ATOM 809 O ALA A 51 -2.987 15.706 12.566 1.00 0.00 O ATOM 810 CB ALA A 51 -5.453 13.472 13.315 1.00 0.00 C ATOM 0 H ALA A 51 -6.453 14.862 15.045 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.907 14.470 14.473 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.759 12.911 12.689 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.772 12.850 14.151 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.323 13.760 12.724 1.00 0.00 H new ATOM 816 N GLU A 52 -5.075 16.054 11.819 1.00 0.00 N ATOM 817 CA GLU A 52 -4.677 16.747 10.602 1.00 0.00 C ATOM 818 C GLU A 52 -3.952 18.058 10.915 1.00 0.00 C ATOM 819 O GLU A 52 -2.953 18.400 10.280 1.00 0.00 O ATOM 820 CB GLU A 52 -5.925 16.948 9.734 1.00 0.00 C ATOM 821 CG GLU A 52 -5.582 17.385 8.304 1.00 0.00 C ATOM 822 CD GLU A 52 -6.814 17.429 7.404 1.00 0.00 C ATOM 823 OE1 GLU A 52 -7.922 17.193 7.934 1.00 0.00 O ATOM 824 OE2 GLU A 52 -6.623 17.708 6.201 1.00 0.00 O ATOM 0 H GLU A 52 -6.085 15.995 11.947 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.957 16.147 10.046 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.493 16.019 9.700 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.568 17.698 10.195 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.117 18.370 8.329 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.850 16.697 7.881 1.00 0.00 H new ATOM 831 N ILE A 53 -4.457 18.784 11.913 1.00 0.00 N ATOM 832 CA ILE A 53 -3.904 20.053 12.344 1.00 0.00 C ATOM 833 C ILE A 53 -2.488 19.769 12.857 1.00 0.00 C ATOM 834 O ILE A 53 -1.507 20.366 12.412 1.00 0.00 O ATOM 835 CB ILE A 53 -4.800 20.678 13.439 1.00 0.00 C ATOM 836 CG1 ILE A 53 -6.270 20.907 13.025 1.00 0.00 C ATOM 837 CG2 ILE A 53 -4.215 22.034 13.861 1.00 0.00 C ATOM 838 CD1 ILE A 53 -7.119 19.643 12.820 1.00 0.00 C ATOM 0 H ILE A 53 -5.276 18.495 12.449 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.864 20.773 11.527 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.810 19.951 14.251 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.749 21.522 13.787 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.280 21.481 12.099 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.844 22.477 14.633 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.208 21.890 14.252 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.177 22.698 12.998 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.131 19.927 12.532 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.676 19.031 12.034 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.153 19.073 13.748 1.00 0.00 H new ATOM 850 N VAL A 54 -2.395 18.807 13.776 1.00 0.00 N ATOM 851 CA VAL A 54 -1.144 18.357 14.354 1.00 0.00 C ATOM 852 C VAL A 54 -0.176 17.951 13.245 1.00 0.00 C ATOM 853 O VAL A 54 0.964 18.393 13.266 1.00 0.00 O ATOM 854 CB VAL A 54 -1.409 17.236 15.373 1.00 0.00 C ATOM 855 CG1 VAL A 54 -0.108 16.602 15.881 1.00 0.00 C ATOM 856 CG2 VAL A 54 -2.170 17.822 16.569 1.00 0.00 C ATOM 0 H VAL A 54 -3.209 18.313 14.142 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.668 19.169 14.903 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.992 16.461 14.875 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.342 15.815 16.598 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.441 16.176 15.041 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.503 17.364 16.365 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.363 17.035 17.298 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.572 18.607 17.032 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.117 18.241 16.228 1.00 0.00 H new ATOM 866 N LYS A 55 -0.611 17.145 12.272 1.00 0.00 N ATOM 867 CA LYS A 55 0.221 16.754 11.140 1.00 0.00 C ATOM 868 C LYS A 55 0.801 17.978 10.435 1.00 0.00 C ATOM 869 O LYS A 55 2.015 18.057 10.237 1.00 0.00 O ATOM 870 CB LYS A 55 -0.571 15.873 10.159 1.00 0.00 C ATOM 871 CG LYS A 55 -0.196 14.397 10.317 1.00 0.00 C ATOM 872 CD LYS A 55 -0.607 13.838 11.686 1.00 0.00 C ATOM 873 CE LYS A 55 0.130 12.531 11.975 1.00 0.00 C ATOM 874 NZ LYS A 55 1.560 12.755 12.260 1.00 0.00 N ATOM 0 H LYS A 55 -1.550 16.748 12.251 1.00 0.00 H new ATOM 0 HA LYS A 55 1.056 16.166 11.522 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.640 16.000 10.332 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.373 16.194 9.136 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.676 13.816 9.530 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.880 14.281 10.187 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.384 14.567 12.465 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.683 13.668 11.707 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.335 12.033 12.825 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.031 11.862 11.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.953 11.920 12.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.071 12.915 11.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.665 13.588 12.874 1.00 0.00 H new ATOM 888 N LEU A 56 -0.064 18.924 10.055 1.00 0.00 N ATOM 889 CA LEU A 56 0.360 20.137 9.366 1.00 0.00 C ATOM 890 C LEU A 56 1.479 20.856 10.132 1.00 0.00 C ATOM 891 O LEU A 56 2.443 21.303 9.513 1.00 0.00 O ATOM 892 CB LEU A 56 -0.847 21.056 9.111 1.00 0.00 C ATOM 893 CG LEU A 56 -1.729 20.585 7.942 1.00 0.00 C ATOM 894 CD1 LEU A 56 -3.108 21.250 8.036 1.00 0.00 C ATOM 895 CD2 LEU A 56 -1.094 20.947 6.592 1.00 0.00 C ATOM 0 H LEU A 56 -1.069 18.867 10.217 1.00 0.00 H new ATOM 0 HA LEU A 56 0.776 19.856 8.398 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.452 21.110 10.016 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.490 22.065 8.905 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.827 19.501 8.007 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.731 20.915 7.207 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.581 20.976 8.979 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.994 22.333 7.989 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.738 20.603 5.783 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.974 22.028 6.525 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.119 20.468 6.508 1.00 0.00 H new ATOM 907 N MET A 57 1.374 20.964 11.462 1.00 0.00 N ATOM 908 CA MET A 57 2.429 21.570 12.270 1.00 0.00 C ATOM 909 C MET A 57 3.646 20.634 12.327 1.00 0.00 C ATOM 910 O MET A 57 4.734 20.980 11.868 1.00 0.00 O ATOM 911 CB MET A 57 1.921 21.887 13.688 1.00 0.00 C ATOM 912 CG MET A 57 1.226 23.250 13.858 1.00 0.00 C ATOM 913 SD MET A 57 -0.584 23.330 13.744 1.00 0.00 S ATOM 914 CE MET A 57 -0.865 23.454 11.965 1.00 0.00 C ATOM 0 H MET A 57 0.569 20.639 11.997 1.00 0.00 H new ATOM 0 HA MET A 57 2.728 22.509 11.805 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.224 21.104 13.988 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.766 21.842 14.375 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.513 23.648 14.831 1.00 0.00 H new ATOM 0 HG3 MET A 57 1.634 23.925 13.105 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.213 24.458 11.721 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.066 23.253 11.435 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.618 22.726 11.664 1.00 0.00 H new ATOM 924 N ASP A 58 3.447 19.452 12.921 1.00 0.00 N ATOM 925 CA ASP A 58 4.433 18.400 13.152 1.00 0.00 C ATOM 926 C ASP A 58 5.385 18.249 11.975 1.00 0.00 C ATOM 927 O ASP A 58 6.594 18.174 12.175 1.00 0.00 O ATOM 928 CB ASP A 58 3.716 17.070 13.414 1.00 0.00 C ATOM 929 CG ASP A 58 4.694 15.899 13.457 1.00 0.00 C ATOM 930 OD1 ASP A 58 5.421 15.802 14.468 1.00 0.00 O ATOM 931 OD2 ASP A 58 4.699 15.128 12.472 1.00 0.00 O ATOM 0 H ASP A 58 2.527 19.191 13.276 1.00 0.00 H new ATOM 0 HA ASP A 58 5.025 18.682 14.023 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.176 17.128 14.359 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.975 16.896 12.634 1.00 0.00 H new ATOM 936 N ASP A 59 4.835 18.218 10.760 1.00 0.00 N ATOM 937 CA ASP A 59 5.582 18.141 9.515 1.00 0.00 C ATOM 938 C ASP A 59 6.859 18.988 9.541 1.00 0.00 C ATOM 939 O ASP A 59 7.927 18.493 9.173 1.00 0.00 O ATOM 940 CB ASP A 59 4.670 18.627 8.386 1.00 0.00 C ATOM 941 CG ASP A 59 5.416 18.678 7.066 1.00 0.00 C ATOM 942 OD1 ASP A 59 5.629 17.584 6.504 1.00 0.00 O ATOM 943 OD2 ASP A 59 5.779 19.803 6.658 1.00 0.00 O ATOM 0 H ASP A 59 3.826 18.247 10.617 1.00 0.00 H new ATOM 0 HA ASP A 59 5.892 17.107 9.363 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.811 17.962 8.296 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.283 19.617 8.627 1.00 0.00 H new ATOM 948 N LEU A 60 6.753 20.251 9.964 1.00 0.00 N ATOM 949 CA LEU A 60 7.888 21.162 9.973 1.00 0.00 C ATOM 950 C LEU A 60 9.018 20.571 10.815 1.00 0.00 C ATOM 951 O LEU A 60 10.150 20.470 10.346 1.00 0.00 O ATOM 952 CB LEU A 60 7.492 22.550 10.502 1.00 0.00 C ATOM 953 CG LEU A 60 6.778 23.439 9.468 1.00 0.00 C ATOM 954 CD1 LEU A 60 5.384 22.925 9.095 1.00 0.00 C ATOM 955 CD2 LEU A 60 6.643 24.855 10.040 1.00 0.00 C ATOM 0 H LEU A 60 5.884 20.662 10.306 1.00 0.00 H new ATOM 0 HA LEU A 60 8.232 21.289 8.947 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.842 22.425 11.368 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.389 23.064 10.849 1.00 0.00 H new ATOM 0 HG LEU A 60 7.383 23.427 8.561 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.933 23.595 8.363 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.467 21.925 8.669 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.759 22.889 9.987 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.138 25.494 9.315 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.061 24.821 10.961 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.633 25.258 10.251 1.00 0.00 H new ATOM 967 N ASP A 61 8.706 20.163 12.047 1.00 0.00 N ATOM 968 CA ASP A 61 9.684 19.575 12.951 1.00 0.00 C ATOM 969 C ASP A 61 10.177 18.231 12.416 1.00 0.00 C ATOM 970 O ASP A 61 11.359 17.924 12.507 1.00 0.00 O ATOM 971 CB ASP A 61 9.082 19.406 14.350 1.00 0.00 C ATOM 972 CG ASP A 61 10.086 18.746 15.290 1.00 0.00 C ATOM 973 OD1 ASP A 61 11.070 19.432 15.643 1.00 0.00 O ATOM 974 OD2 ASP A 61 9.859 17.563 15.628 1.00 0.00 O ATOM 0 H ASP A 61 7.768 20.233 12.441 1.00 0.00 H new ATOM 0 HA ASP A 61 10.538 20.249 13.018 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.790 20.379 14.746 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.177 18.801 14.292 1.00 0.00 H new ATOM 979 N ARG A 62 9.266 17.423 11.873 1.00 0.00 N ATOM 980 CA ARG A 62 9.589 16.101 11.363 1.00 0.00 C ATOM 981 C ARG A 62 10.626 16.196 10.241 1.00 0.00 C ATOM 982 O ARG A 62 11.546 15.384 10.177 1.00 0.00 O ATOM 983 CB ARG A 62 8.302 15.395 10.906 1.00 0.00 C ATOM 984 CG ARG A 62 8.564 13.902 10.677 1.00 0.00 C ATOM 985 CD ARG A 62 7.285 13.114 10.383 1.00 0.00 C ATOM 986 NE ARG A 62 6.815 13.348 9.008 1.00 0.00 N ATOM 987 CZ ARG A 62 6.527 12.414 8.087 1.00 0.00 C ATOM 988 NH1 ARG A 62 6.698 11.107 8.324 1.00 0.00 N ATOM 989 NH2 ARG A 62 6.046 12.804 6.903 1.00 0.00 N ATOM 0 H ARG A 62 8.282 17.673 11.777 1.00 0.00 H new ATOM 0 HA ARG A 62 10.035 15.502 12.157 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.523 15.523 11.658 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.936 15.852 9.986 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.258 13.783 9.845 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.049 13.483 11.559 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.469 12.050 10.530 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.507 13.403 11.089 1.00 0.00 H new ATOM 0 HE ARG A 62 6.696 14.321 8.725 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.057 10.795 9.226 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.469 10.424 7.602 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.904 13.796 6.712 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.821 12.110 6.190 1.00 0.00 H new ATOM 1068 N GLU A 67 14.191 15.254 3.487 1.00 0.00 N ATOM 1069 CA GLU A 67 13.133 14.689 2.673 1.00 0.00 C ATOM 1070 C GLU A 67 12.733 13.342 3.280 1.00 0.00 C ATOM 1071 O GLU A 67 13.608 12.531 3.586 1.00 0.00 O ATOM 1072 CB GLU A 67 13.612 14.515 1.222 1.00 0.00 C ATOM 1073 CG GLU A 67 14.296 15.767 0.639 1.00 0.00 C ATOM 1074 CD GLU A 67 15.813 15.816 0.843 1.00 0.00 C ATOM 1075 OE1 GLU A 67 16.306 15.123 1.761 1.00 0.00 O ATOM 1076 OE2 GLU A 67 16.457 16.554 0.068 1.00 0.00 O ATOM 0 HA GLU A 67 12.271 15.356 2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.308 13.678 1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.759 14.254 0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.084 15.817 -0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.852 16.653 1.094 1.00 0.00 H new ATOM 1083 N VAL A 68 11.437 13.094 3.461 1.00 0.00 N ATOM 1084 CA VAL A 68 10.934 11.822 3.954 1.00 0.00 C ATOM 1085 C VAL A 68 10.828 10.845 2.782 1.00 0.00 C ATOM 1086 O VAL A 68 10.618 11.266 1.643 1.00 0.00 O ATOM 1087 CB VAL A 68 9.594 12.012 4.690 1.00 0.00 C ATOM 1088 CG1 VAL A 68 9.706 13.106 5.762 1.00 0.00 C ATOM 1089 CG2 VAL A 68 8.411 12.293 3.762 1.00 0.00 C ATOM 0 H VAL A 68 10.705 13.777 3.267 1.00 0.00 H new ATOM 0 HA VAL A 68 11.625 11.403 4.685 1.00 0.00 H new ATOM 0 HB VAL A 68 9.384 11.055 5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.747 13.220 6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.468 12.826 6.490 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.983 14.049 5.292 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.504 12.415 4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.600 13.206 3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.284 11.459 3.072 1.00 0.00 H new ATOM 1099 N ASN A 69 10.977 9.544 3.059 1.00 0.00 N ATOM 1100 CA ASN A 69 10.799 8.489 2.067 1.00 0.00 C ATOM 1101 C ASN A 69 9.347 8.019 2.034 1.00 0.00 C ATOM 1102 O ASN A 69 8.524 8.443 2.847 1.00 0.00 O ATOM 1103 CB ASN A 69 11.752 7.313 2.340 1.00 0.00 C ATOM 1104 CG ASN A 69 11.203 6.331 3.376 1.00 0.00 C ATOM 1105 OD1 ASN A 69 10.602 6.733 4.366 1.00 0.00 O ATOM 1106 ND2 ASN A 69 11.367 5.031 3.148 1.00 0.00 N ATOM 0 H ASN A 69 11.226 9.197 3.985 1.00 0.00 H new ATOM 0 HA ASN A 69 11.045 8.899 1.087 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.942 6.781 1.407 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.710 7.701 2.686 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.989 4.347 3.803 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.870 4.718 2.318 1.00 0.00 H new ATOM 1113 N PHE A 70 9.062 7.093 1.113 1.00 0.00 N ATOM 1114 CA PHE A 70 7.771 6.431 1.002 1.00 0.00 C ATOM 1115 C PHE A 70 7.233 5.995 2.371 1.00 0.00 C ATOM 1116 O PHE A 70 6.177 6.466 2.779 1.00 0.00 O ATOM 1117 CB PHE A 70 7.869 5.258 0.021 1.00 0.00 C ATOM 1118 CG PHE A 70 6.563 4.515 -0.176 1.00 0.00 C ATOM 1119 CD1 PHE A 70 5.504 5.137 -0.864 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.389 3.218 0.345 1.00 0.00 C ATOM 1121 CE1 PHE A 70 4.291 4.455 -1.057 1.00 0.00 C ATOM 1122 CE2 PHE A 70 5.184 2.530 0.132 1.00 0.00 C ATOM 1123 CZ PHE A 70 4.134 3.145 -0.571 1.00 0.00 C ATOM 0 H PHE A 70 9.737 6.782 0.415 1.00 0.00 H new ATOM 0 HA PHE A 70 7.049 7.146 0.607 1.00 0.00 H new ATOM 0 HB2 PHE A 70 8.213 5.631 -0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.624 4.558 0.380 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.624 6.141 -1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.184 2.752 0.909 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.478 4.938 -1.579 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.064 1.525 0.509 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.209 2.613 -0.737 1.00 0.00 H new ATOM 1133 N GLN A 71 7.935 5.124 3.105 1.00 0.00 N ATOM 1134 CA GLN A 71 7.370 4.602 4.348 1.00 0.00 C ATOM 1135 C GLN A 71 7.128 5.711 5.372 1.00 0.00 C ATOM 1136 O GLN A 71 6.145 5.649 6.101 1.00 0.00 O ATOM 1137 CB GLN A 71 8.201 3.455 4.943 1.00 0.00 C ATOM 1138 CG GLN A 71 7.365 2.622 5.942 1.00 0.00 C ATOM 1139 CD GLN A 71 6.226 1.860 5.263 1.00 0.00 C ATOM 1140 OE1 GLN A 71 6.369 1.438 4.120 1.00 0.00 O ATOM 1141 NE2 GLN A 71 5.092 1.672 5.935 1.00 0.00 N ATOM 0 H GLN A 71 8.864 4.777 2.869 1.00 0.00 H new ATOM 0 HA GLN A 71 6.400 4.178 4.087 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.564 2.811 4.142 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.078 3.861 5.447 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.017 1.914 6.454 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.952 3.283 6.704 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.996 2.032 6.885 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.319 1.168 5.500 1.00 0.00 H new ATOM 1150 N GLU A 72 7.983 6.733 5.449 1.00 0.00 N ATOM 1151 CA GLU A 72 7.731 7.862 6.333 1.00 0.00 C ATOM 1152 C GLU A 72 6.490 8.648 5.892 1.00 0.00 C ATOM 1153 O GLU A 72 5.696 9.064 6.738 1.00 0.00 O ATOM 1154 CB GLU A 72 8.968 8.758 6.427 1.00 0.00 C ATOM 1155 CG GLU A 72 10.032 8.176 7.369 1.00 0.00 C ATOM 1156 CD GLU A 72 9.581 8.145 8.832 1.00 0.00 C ATOM 1157 OE1 GLU A 72 8.768 9.020 9.208 1.00 0.00 O ATOM 1158 OE2 GLU A 72 10.059 7.240 9.549 1.00 0.00 O ATOM 0 H GLU A 72 8.848 6.798 4.913 1.00 0.00 H new ATOM 0 HA GLU A 72 7.525 7.476 7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.397 8.889 5.433 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.673 9.746 6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.279 7.164 7.049 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.944 8.767 7.288 1.00 0.00 H new ATOM 1165 N TYR A 73 6.298 8.852 4.586 1.00 0.00 N ATOM 1166 CA TYR A 73 5.048 9.404 4.071 1.00 0.00 C ATOM 1167 C TYR A 73 3.871 8.538 4.544 1.00 0.00 C ATOM 1168 O TYR A 73 2.918 9.042 5.142 1.00 0.00 O ATOM 1169 CB TYR A 73 5.117 9.545 2.539 1.00 0.00 C ATOM 1170 CG TYR A 73 3.810 9.322 1.796 1.00 0.00 C ATOM 1171 CD1 TYR A 73 2.861 10.357 1.695 1.00 0.00 C ATOM 1172 CD2 TYR A 73 3.560 8.085 1.175 1.00 0.00 C ATOM 1173 CE1 TYR A 73 1.689 10.161 0.940 1.00 0.00 C ATOM 1174 CE2 TYR A 73 2.369 7.878 0.460 1.00 0.00 C ATOM 1175 CZ TYR A 73 1.449 8.928 0.311 1.00 0.00 C ATOM 1176 OH TYR A 73 0.343 8.764 -0.467 1.00 0.00 O ATOM 0 H TYR A 73 6.993 8.643 3.869 1.00 0.00 H new ATOM 0 HA TYR A 73 4.889 10.408 4.465 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.483 10.544 2.301 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.854 8.837 2.160 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.032 11.299 2.195 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.288 7.290 1.248 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.971 10.962 0.844 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.161 6.912 0.025 1.00 0.00 H new ATOM 0 HH TYR A 73 0.506 8.053 -1.122 1.00 0.00 H new ATOM 1186 N ILE A 74 3.953 7.226 4.323 1.00 0.00 N ATOM 1187 CA ILE A 74 2.934 6.289 4.774 1.00 0.00 C ATOM 1188 C ILE A 74 2.734 6.408 6.290 1.00 0.00 C ATOM 1189 O ILE A 74 1.604 6.353 6.760 1.00 0.00 O ATOM 1190 CB ILE A 74 3.287 4.847 4.360 1.00 0.00 C ATOM 1191 CG1 ILE A 74 3.388 4.629 2.837 1.00 0.00 C ATOM 1192 CG2 ILE A 74 2.261 3.873 4.928 1.00 0.00 C ATOM 1193 CD1 ILE A 74 2.051 4.715 2.094 1.00 0.00 C ATOM 0 H ILE A 74 4.728 6.787 3.826 1.00 0.00 H new ATOM 0 HA ILE A 74 1.991 6.542 4.290 1.00 0.00 H new ATOM 0 HB ILE A 74 4.280 4.663 4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.069 5.371 2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.830 3.650 2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.520 2.857 4.630 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.257 3.942 6.016 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.271 4.123 4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.215 4.550 1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.371 3.955 2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.614 5.702 2.245 1.00 0.00 H new ATOM 1205 N THR A 75 3.806 6.578 7.065 1.00 0.00 N ATOM 1206 CA THR A 75 3.731 6.730 8.513 1.00 0.00 C ATOM 1207 C THR A 75 2.982 8.009 8.875 1.00 0.00 C ATOM 1208 O THR A 75 2.183 7.999 9.805 1.00 0.00 O ATOM 1209 CB THR A 75 5.130 6.668 9.142 1.00 0.00 C ATOM 1210 OG1 THR A 75 5.731 5.433 8.812 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.078 6.765 10.670 1.00 0.00 C ATOM 0 H THR A 75 4.757 6.614 6.699 1.00 0.00 H new ATOM 0 HA THR A 75 3.164 5.897 8.929 1.00 0.00 H new ATOM 0 HB THR A 75 5.700 7.512 8.754 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.935 5.414 7.854 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.090 6.717 11.072 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.617 7.709 10.959 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.490 5.938 11.067 1.00 0.00 H new ATOM 1219 N PHE A 76 3.204 9.100 8.136 1.00 0.00 N ATOM 1220 CA PHE A 76 2.437 10.328 8.311 1.00 0.00 C ATOM 1221 C PHE A 76 0.941 10.023 8.174 1.00 0.00 C ATOM 1222 O PHE A 76 0.151 10.314 9.075 1.00 0.00 O ATOM 1223 CB PHE A 76 2.914 11.369 7.289 1.00 0.00 C ATOM 1224 CG PHE A 76 2.541 12.811 7.573 1.00 0.00 C ATOM 1225 CD1 PHE A 76 3.223 13.527 8.576 1.00 0.00 C ATOM 1226 CD2 PHE A 76 1.677 13.493 6.696 1.00 0.00 C ATOM 1227 CE1 PHE A 76 3.040 14.915 8.703 1.00 0.00 C ATOM 1228 CE2 PHE A 76 1.505 14.882 6.814 1.00 0.00 C ATOM 1229 CZ PHE A 76 2.173 15.590 7.826 1.00 0.00 C ATOM 0 H PHE A 76 3.915 9.153 7.407 1.00 0.00 H new ATOM 0 HA PHE A 76 2.595 10.741 9.307 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.000 11.305 7.217 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.513 11.098 6.312 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.889 13.008 9.250 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.145 12.947 5.931 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.564 15.462 9.473 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.858 15.406 6.126 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.021 16.654 7.931 1.00 0.00 H new ATOM 1239 N LEU A 77 0.558 9.382 7.064 1.00 0.00 N ATOM 1240 CA LEU A 77 -0.831 8.993 6.833 1.00 0.00 C ATOM 1241 C LEU A 77 -1.337 8.037 7.920 1.00 0.00 C ATOM 1242 O LEU A 77 -2.460 8.172 8.395 1.00 0.00 O ATOM 1243 CB LEU A 77 -1.001 8.363 5.443 1.00 0.00 C ATOM 1244 CG LEU A 77 -0.595 9.269 4.268 1.00 0.00 C ATOM 1245 CD1 LEU A 77 -0.941 8.548 2.961 1.00 0.00 C ATOM 1246 CD2 LEU A 77 -1.296 10.633 4.300 1.00 0.00 C ATOM 0 H LEU A 77 1.196 9.123 6.311 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.434 9.900 6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.409 7.449 5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.044 8.074 5.316 1.00 0.00 H new ATOM 0 HG LEU A 77 0.475 9.461 4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.661 9.175 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.397 7.605 2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.012 8.351 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.971 11.229 3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.375 10.489 4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.041 11.152 5.224 1.00 0.00 H new ATOM 1258 N GLY A 78 -0.518 7.065 8.320 1.00 0.00 N ATOM 1259 CA GLY A 78 -0.862 6.074 9.324 1.00 0.00 C ATOM 1260 C GLY A 78 -1.132 6.737 10.672 1.00 0.00 C ATOM 1261 O GLY A 78 -2.124 6.443 11.331 1.00 0.00 O ATOM 0 H GLY A 78 0.423 6.947 7.943 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.743 5.517 9.005 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.049 5.354 9.424 1.00 0.00 H new ATOM 1265 N ALA A 79 -0.250 7.645 11.085 1.00 0.00 N ATOM 1266 CA ALA A 79 -0.404 8.398 12.314 1.00 0.00 C ATOM 1267 C ALA A 79 -1.665 9.259 12.238 1.00 0.00 C ATOM 1268 O ALA A 79 -2.480 9.226 13.154 1.00 0.00 O ATOM 1269 CB ALA A 79 0.859 9.225 12.569 1.00 0.00 C ATOM 0 H ALA A 79 0.597 7.876 10.566 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.527 7.722 13.160 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.743 9.791 13.493 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.718 8.560 12.656 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.017 9.914 11.739 1.00 0.00 H new ATOM 1275 N LEU A 80 -1.847 10.005 11.143 1.00 0.00 N ATOM 1276 CA LEU A 80 -3.048 10.804 10.913 1.00 0.00 C ATOM 1277 C LEU A 80 -4.298 9.945 11.125 1.00 0.00 C ATOM 1278 O LEU A 80 -5.161 10.247 11.958 1.00 0.00 O ATOM 1279 CB LEU A 80 -3.000 11.360 9.480 1.00 0.00 C ATOM 1280 CG LEU A 80 -4.254 12.145 9.076 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -4.222 13.538 9.693 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.324 12.281 7.557 1.00 0.00 C ATOM 0 H LEU A 80 -1.161 10.069 10.391 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.089 11.633 11.619 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.130 12.009 9.381 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.861 10.533 8.784 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.128 11.603 9.436 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.117 14.087 9.400 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.188 13.454 10.779 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.338 14.071 9.342 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.219 12.840 7.283 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.441 12.810 7.198 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.362 11.290 7.104 1.00 0.00 H new ATOM 1294 N ALA A 81 -4.359 8.863 10.345 1.00 0.00 N ATOM 1295 CA ALA A 81 -5.409 7.869 10.382 1.00 0.00 C ATOM 1296 C ALA A 81 -5.665 7.438 11.817 1.00 0.00 C ATOM 1297 O ALA A 81 -6.800 7.516 12.275 1.00 0.00 O ATOM 1298 CB ALA A 81 -5.010 6.671 9.515 1.00 0.00 C ATOM 0 H ALA A 81 -3.645 8.657 9.646 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.330 8.295 9.985 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.801 5.922 9.543 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.858 7.000 8.487 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.086 6.237 9.897 1.00 0.00 H new ATOM 1304 N MET A 82 -4.621 6.991 12.515 1.00 0.00 N ATOM 1305 CA MET A 82 -4.726 6.484 13.869 1.00 0.00 C ATOM 1306 C MET A 82 -5.274 7.539 14.824 1.00 0.00 C ATOM 1307 O MET A 82 -6.183 7.239 15.592 1.00 0.00 O ATOM 1308 CB MET A 82 -3.372 5.924 14.312 1.00 0.00 C ATOM 1309 CG MET A 82 -3.455 5.178 15.647 1.00 0.00 C ATOM 1310 SD MET A 82 -2.385 3.728 15.788 1.00 0.00 S ATOM 1311 CE MET A 82 -0.760 4.474 15.544 1.00 0.00 C ATOM 0 H MET A 82 -3.671 6.974 12.145 1.00 0.00 H new ATOM 0 HA MET A 82 -5.448 5.668 13.891 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.993 5.249 13.545 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.656 6.741 14.400 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.206 5.873 16.449 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.487 4.865 15.806 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.010 3.708 15.639 1.00 0.00 H new ATOM 0 HE2 MET A 82 -0.709 4.919 14.550 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.598 5.247 16.296 1.00 0.00 H new ATOM 1321 N ILE A 83 -4.735 8.762 14.796 1.00 0.00 N ATOM 1322 CA ILE A 83 -5.201 9.804 15.697 1.00 0.00 C ATOM 1323 C ILE A 83 -6.697 10.069 15.470 1.00 0.00 C ATOM 1324 O ILE A 83 -7.445 10.053 16.449 1.00 0.00 O ATOM 1325 CB ILE A 83 -4.361 11.094 15.603 1.00 0.00 C ATOM 1326 CG1 ILE A 83 -2.884 10.929 15.999 1.00 0.00 C ATOM 1327 CG2 ILE A 83 -4.956 12.165 16.532 1.00 0.00 C ATOM 1328 CD1 ILE A 83 -2.089 12.220 15.734 1.00 0.00 C ATOM 0 H ILE A 83 -3.985 9.046 14.165 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.067 9.444 16.717 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.394 11.376 14.551 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.815 10.667 17.055 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.444 10.106 15.436 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.361 13.076 16.465 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.982 12.378 16.231 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.947 11.801 17.559 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.049 12.073 16.024 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.139 12.467 14.673 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.516 13.036 16.317 1.00 0.00 H new ATOM 1340 N TYR A 84 -7.151 10.365 14.237 1.00 0.00 N ATOM 1341 CA TYR A 84 -8.572 10.706 14.071 1.00 0.00 C ATOM 1342 C TYR A 84 -9.500 9.483 14.118 1.00 0.00 C ATOM 1343 O TYR A 84 -10.560 9.547 14.740 1.00 0.00 O ATOM 1344 CB TYR A 84 -8.886 11.789 13.015 1.00 0.00 C ATOM 1345 CG TYR A 84 -8.525 11.624 11.545 1.00 0.00 C ATOM 1346 CD1 TYR A 84 -9.015 10.531 10.804 1.00 0.00 C ATOM 1347 CD2 TYR A 84 -8.090 12.768 10.843 1.00 0.00 C ATOM 1348 CE1 TYR A 84 -8.950 10.536 9.396 1.00 0.00 C ATOM 1349 CE2 TYR A 84 -7.991 12.765 9.443 1.00 0.00 C ATOM 1350 CZ TYR A 84 -8.418 11.645 8.715 1.00 0.00 C ATOM 1351 OH TYR A 84 -8.428 11.696 7.351 1.00 0.00 O ATOM 0 H TYR A 84 -6.589 10.375 13.386 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.838 11.254 14.975 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.961 11.962 13.055 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.403 12.705 13.354 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.443 9.683 11.318 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.829 13.661 11.392 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.310 9.684 8.838 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.587 13.624 8.927 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.162 11.144 7.008 1.00 0.00 H new ATOM 1361 N ASN A 85 -9.109 8.344 13.540 1.00 0.00 N ATOM 1362 CA ASN A 85 -9.877 7.106 13.675 1.00 0.00 C ATOM 1363 C ASN A 85 -9.557 6.482 15.028 1.00 0.00 C ATOM 1364 O ASN A 85 -8.863 5.470 15.096 1.00 0.00 O ATOM 1365 CB ASN A 85 -9.597 6.093 12.554 1.00 0.00 C ATOM 1366 CG ASN A 85 -9.959 6.617 11.174 1.00 0.00 C ATOM 1367 OD1 ASN A 85 -11.059 6.401 10.678 1.00 0.00 O ATOM 1368 ND2 ASN A 85 -9.011 7.285 10.530 1.00 0.00 N ATOM 0 H ASN A 85 -8.265 8.255 12.974 1.00 0.00 H new ATOM 0 HA ASN A 85 -10.934 7.362 13.599 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.540 5.826 12.569 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -10.159 5.180 12.749 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.186 7.638 9.589 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.108 7.445 10.976 1.00 0.00 H new ATOM 1375 N GLU A 86 -10.098 7.079 16.093 1.00 0.00 N ATOM 1376 CA GLU A 86 -9.981 6.613 17.472 1.00 0.00 C ATOM 1377 C GLU A 86 -9.996 5.084 17.605 1.00 0.00 C ATOM 1378 O GLU A 86 -9.183 4.525 18.336 1.00 0.00 O ATOM 1379 CB GLU A 86 -11.038 7.300 18.358 1.00 0.00 C ATOM 1380 CG GLU A 86 -12.498 6.867 18.125 1.00 0.00 C ATOM 1381 CD GLU A 86 -12.981 7.098 16.695 1.00 0.00 C ATOM 1382 OE1 GLU A 86 -13.390 8.243 16.410 1.00 0.00 O ATOM 1383 OE2 GLU A 86 -12.910 6.126 15.909 1.00 0.00 O ATOM 0 H GLU A 86 -10.650 7.933 16.012 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.995 6.907 17.831 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.786 7.112 19.402 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -10.970 8.377 18.202 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.598 5.809 18.367 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.145 7.414 18.811 1.00 0.00 H new ATOM 1390 N ALA A 87 -10.894 4.420 16.869 1.00 0.00 N ATOM 1391 CA ALA A 87 -11.014 2.970 16.761 1.00 0.00 C ATOM 1392 C ALA A 87 -9.663 2.247 16.691 1.00 0.00 C ATOM 1393 O ALA A 87 -9.491 1.196 17.305 1.00 0.00 O ATOM 1394 CB ALA A 87 -11.846 2.644 15.517 1.00 0.00 C ATOM 0 H ALA A 87 -11.590 4.908 16.306 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.500 2.611 17.668 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.947 1.563 15.420 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.834 3.093 15.612 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.350 3.043 14.632 1.00 0.00 H new ATOM 1400 N LEU A 88 -8.709 2.788 15.927 1.00 0.00 N ATOM 1401 CA LEU A 88 -7.399 2.174 15.759 1.00 0.00 C ATOM 1402 C LEU A 88 -6.625 2.087 17.074 1.00 0.00 C ATOM 1403 O LEU A 88 -5.837 1.159 17.238 1.00 0.00 O ATOM 1404 CB LEU A 88 -6.581 2.914 14.695 1.00 0.00 C ATOM 1405 CG LEU A 88 -7.015 2.585 13.258 1.00 0.00 C ATOM 1406 CD1 LEU A 88 -6.264 3.512 12.299 1.00 0.00 C ATOM 1407 CD2 LEU A 88 -6.692 1.130 12.888 1.00 0.00 C ATOM 0 H LEU A 88 -8.827 3.660 15.412 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.569 1.152 15.420 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.672 3.988 14.858 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.528 2.662 14.816 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.093 2.725 13.184 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.560 3.292 11.273 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.505 4.549 12.532 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.191 3.356 12.408 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.013 0.935 11.865 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.618 0.964 12.969 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.215 0.457 13.567 1.00 0.00 H new ATOM 1469 N ALA B 2 -14.910 12.646 2.249 1.00 0.00 N ATOM 1470 CA ALA B 2 -13.993 11.521 2.130 1.00 0.00 C ATOM 1471 C ALA B 2 -13.248 11.559 0.792 1.00 0.00 C ATOM 1472 O ALA B 2 -13.581 10.824 -0.135 1.00 0.00 O ATOM 1473 CB ALA B 2 -14.759 10.207 2.317 1.00 0.00 C ATOM 0 HA ALA B 2 -13.240 11.591 2.914 1.00 0.00 H new ATOM 0 HB1 ALA B 2 -14.069 9.368 2.227 1.00 0.00 H new ATOM 0 HB2 ALA B 2 -15.221 10.193 3.304 1.00 0.00 H new ATOM 0 HB3 ALA B 2 -15.532 10.125 1.553 1.00 0.00 H new ATOM 1479 N SER B 3 -12.231 12.417 0.694 1.00 0.00 N ATOM 1480 CA SER B 3 -11.353 12.531 -0.459 1.00 0.00 C ATOM 1481 C SER B 3 -10.710 11.179 -0.821 1.00 0.00 C ATOM 1482 O SER B 3 -10.665 10.287 0.028 1.00 0.00 O ATOM 1483 CB SER B 3 -10.268 13.549 -0.101 1.00 0.00 C ATOM 1484 OG SER B 3 -10.785 14.566 0.735 1.00 0.00 O ATOM 0 H SER B 3 -11.993 13.069 1.441 1.00 0.00 H new ATOM 0 HA SER B 3 -11.927 12.851 -1.329 1.00 0.00 H new ATOM 0 HB2 SER B 3 -9.442 13.045 0.401 1.00 0.00 H new ATOM 0 HB3 SER B 3 -9.865 13.992 -1.012 1.00 0.00 H new ATOM 0 HG SER B 3 -10.199 15.351 0.696 1.00 0.00 H new ATOM 1490 N PRO B 4 -10.152 11.021 -2.036 1.00 0.00 N ATOM 1491 CA PRO B 4 -9.512 9.786 -2.476 1.00 0.00 C ATOM 1492 C PRO B 4 -8.548 9.205 -1.440 1.00 0.00 C ATOM 1493 O PRO B 4 -8.654 8.030 -1.093 1.00 0.00 O ATOM 1494 CB PRO B 4 -8.814 10.120 -3.796 1.00 0.00 C ATOM 1495 CG PRO B 4 -9.692 11.236 -4.359 1.00 0.00 C ATOM 1496 CD PRO B 4 -10.110 12.008 -3.107 1.00 0.00 C ATOM 0 HA PRO B 4 -10.255 9.000 -2.609 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -7.787 10.451 -3.640 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -8.774 9.259 -4.463 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -9.144 11.867 -5.058 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -10.554 10.840 -4.896 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.399 12.803 -2.881 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -11.083 12.480 -3.244 1.00 0.00 H new ATOM 1504 N LEU B 5 -7.629 10.026 -0.914 1.00 0.00 N ATOM 1505 CA LEU B 5 -6.760 9.590 0.172 1.00 0.00 C ATOM 1506 C LEU B 5 -7.565 9.062 1.356 1.00 0.00 C ATOM 1507 O LEU B 5 -7.248 7.998 1.874 1.00 0.00 O ATOM 1508 CB LEU B 5 -5.818 10.706 0.655 1.00 0.00 C ATOM 1509 CG LEU B 5 -4.363 10.636 0.173 1.00 0.00 C ATOM 1510 CD1 LEU B 5 -3.562 11.655 0.997 1.00 0.00 C ATOM 1511 CD2 LEU B 5 -3.710 9.259 0.383 1.00 0.00 C ATOM 0 H LEU B 5 -7.474 10.985 -1.223 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.152 8.783 -0.238 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -6.235 11.663 0.341 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -5.816 10.702 1.745 1.00 0.00 H new ATOM 0 HG LEU B 5 -4.361 10.838 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.518 11.636 0.684 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -3.971 12.653 0.838 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -3.628 11.400 2.055 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.683 9.284 0.019 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.713 9.013 1.445 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -4.271 8.503 -0.166 1.00 0.00 H new ATOM 1523 N ASP B 6 -8.584 9.798 1.808 1.00 0.00 N ATOM 1524 CA ASP B 6 -9.344 9.404 2.984 1.00 0.00 C ATOM 1525 C ASP B 6 -10.015 8.056 2.743 1.00 0.00 C ATOM 1526 O ASP B 6 -10.003 7.196 3.616 1.00 0.00 O ATOM 1527 CB ASP B 6 -10.386 10.462 3.356 1.00 0.00 C ATOM 1528 CG ASP B 6 -10.961 10.184 4.742 1.00 0.00 C ATOM 1529 OD1 ASP B 6 -10.205 10.374 5.722 1.00 0.00 O ATOM 1530 OD2 ASP B 6 -12.146 9.788 4.794 1.00 0.00 O ATOM 0 H ASP B 6 -8.897 10.667 1.375 1.00 0.00 H new ATOM 0 HA ASP B 6 -8.652 9.314 3.821 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -9.930 11.452 3.337 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -11.188 10.466 2.618 1.00 0.00 H new ATOM 1535 N GLN B 7 -10.581 7.862 1.549 1.00 0.00 N ATOM 1536 CA GLN B 7 -11.192 6.596 1.173 1.00 0.00 C ATOM 1537 C GLN B 7 -10.147 5.474 1.133 1.00 0.00 C ATOM 1538 O GLN B 7 -10.396 4.386 1.649 1.00 0.00 O ATOM 1539 CB GLN B 7 -11.926 6.757 -0.167 1.00 0.00 C ATOM 1540 CG GLN B 7 -12.570 5.460 -0.684 1.00 0.00 C ATOM 1541 CD GLN B 7 -13.598 4.867 0.277 1.00 0.00 C ATOM 1542 OE1 GLN B 7 -14.793 5.096 0.132 1.00 0.00 O ATOM 1543 NE2 GLN B 7 -13.155 4.086 1.259 1.00 0.00 N ATOM 0 H GLN B 7 -10.626 8.577 0.823 1.00 0.00 H new ATOM 0 HA GLN B 7 -11.926 6.310 1.926 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -12.700 7.517 -0.057 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -11.222 7.124 -0.914 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -13.051 5.659 -1.641 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -11.788 4.723 -0.867 1.00 0.00 H new ATOM 0 HE21 GLN B 7 -12.155 3.910 1.359 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -13.815 3.663 1.911 1.00 0.00 H new ATOM 1552 N ALA B 8 -8.999 5.709 0.498 1.00 0.00 N ATOM 1553 CA ALA B 8 -7.946 4.707 0.356 1.00 0.00 C ATOM 1554 C ALA B 8 -7.382 4.309 1.726 1.00 0.00 C ATOM 1555 O ALA B 8 -7.252 3.128 2.046 1.00 0.00 O ATOM 1556 CB ALA B 8 -6.858 5.264 -0.558 1.00 0.00 C ATOM 0 H ALA B 8 -8.773 6.605 0.066 1.00 0.00 H new ATOM 0 HA ALA B 8 -8.357 3.802 -0.091 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -6.065 4.525 -0.672 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -7.285 5.492 -1.535 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -6.446 6.173 -0.121 1.00 0.00 H new ATOM 1562 N ILE B 9 -7.078 5.306 2.556 1.00 0.00 N ATOM 1563 CA ILE B 9 -6.736 5.113 3.956 1.00 0.00 C ATOM 1564 C ILE B 9 -7.844 4.281 4.605 1.00 0.00 C ATOM 1565 O ILE B 9 -7.573 3.217 5.151 1.00 0.00 O ATOM 1566 CB ILE B 9 -6.531 6.486 4.628 1.00 0.00 C ATOM 1567 CG1 ILE B 9 -5.214 7.115 4.134 1.00 0.00 C ATOM 1568 CG2 ILE B 9 -6.524 6.371 6.156 1.00 0.00 C ATOM 1569 CD1 ILE B 9 -5.093 8.600 4.494 1.00 0.00 C ATOM 0 H ILE B 9 -7.063 6.284 2.266 1.00 0.00 H new ATOM 0 HA ILE B 9 -5.798 4.569 4.073 1.00 0.00 H new ATOM 0 HB ILE B 9 -7.367 7.127 4.351 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -4.373 6.572 4.565 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -5.146 7.001 3.052 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -6.377 7.358 6.594 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -7.476 5.961 6.494 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -5.714 5.712 6.468 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -4.146 8.989 4.121 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -5.916 9.153 4.041 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -5.131 8.716 5.577 1.00 0.00 H new ATOM 1581 N GLY B 10 -9.092 4.745 4.502 1.00 0.00 N ATOM 1582 CA GLY B 10 -10.284 4.072 4.996 1.00 0.00 C ATOM 1583 C GLY B 10 -10.299 2.590 4.631 1.00 0.00 C ATOM 1584 O GLY B 10 -10.572 1.749 5.482 1.00 0.00 O ATOM 0 H GLY B 10 -9.302 5.636 4.053 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -10.337 4.179 6.079 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -11.170 4.555 4.584 1.00 0.00 H new ATOM 1588 N LEU B 11 -9.986 2.259 3.378 1.00 0.00 N ATOM 1589 CA LEU B 11 -9.824 0.885 2.927 1.00 0.00 C ATOM 1590 C LEU B 11 -8.778 0.151 3.780 1.00 0.00 C ATOM 1591 O LEU B 11 -9.093 -0.882 4.366 1.00 0.00 O ATOM 1592 CB LEU B 11 -9.501 0.867 1.421 1.00 0.00 C ATOM 1593 CG LEU B 11 -10.771 0.755 0.562 1.00 0.00 C ATOM 1594 CD1 LEU B 11 -10.596 1.466 -0.785 1.00 0.00 C ATOM 1595 CD2 LEU B 11 -11.090 -0.721 0.306 1.00 0.00 C ATOM 0 H LEU B 11 -9.837 2.949 2.642 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.758 0.340 3.062 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -8.962 1.776 1.155 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -8.840 0.029 1.202 1.00 0.00 H new ATOM 0 HG LEU B 11 -11.587 1.231 1.105 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -11.511 1.369 -1.369 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -10.385 2.522 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.768 1.014 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -11.991 -0.798 -0.303 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -10.256 -1.188 -0.218 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -11.251 -1.229 1.257 1.00 0.00 H new ATOM 1607 N LEU B 12 -7.549 0.669 3.883 1.00 0.00 N ATOM 1608 CA LEU B 12 -6.499 0.022 4.680 1.00 0.00 C ATOM 1609 C LEU B 12 -6.915 -0.139 6.154 1.00 0.00 C ATOM 1610 O LEU B 12 -6.680 -1.194 6.753 1.00 0.00 O ATOM 1611 CB LEU B 12 -5.158 0.768 4.547 1.00 0.00 C ATOM 1612 CG LEU B 12 -4.312 0.281 3.355 1.00 0.00 C ATOM 1613 CD1 LEU B 12 -5.010 0.503 2.014 1.00 0.00 C ATOM 1614 CD2 LEU B 12 -2.969 1.017 3.324 1.00 0.00 C ATOM 0 H LEU B 12 -7.257 1.533 3.426 1.00 0.00 H new ATOM 0 HA LEU B 12 -6.359 -0.982 4.279 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.352 1.835 4.436 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -4.586 0.642 5.466 1.00 0.00 H new ATOM 0 HG LEU B 12 -4.165 -0.790 3.496 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -4.371 0.143 1.207 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -5.954 -0.042 2.001 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.203 1.567 1.876 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -2.380 0.664 2.477 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -3.143 2.088 3.223 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -2.426 0.823 4.249 1.00 0.00 H new ATOM 1626 N ILE B 13 -7.526 0.896 6.742 1.00 0.00 N ATOM 1627 CA ILE B 13 -8.070 0.846 8.100 1.00 0.00 C ATOM 1628 C ILE B 13 -9.095 -0.284 8.210 1.00 0.00 C ATOM 1629 O ILE B 13 -8.966 -1.163 9.059 1.00 0.00 O ATOM 1630 CB ILE B 13 -8.712 2.191 8.500 1.00 0.00 C ATOM 1631 CG1 ILE B 13 -7.667 3.315 8.501 1.00 0.00 C ATOM 1632 CG2 ILE B 13 -9.388 2.090 9.882 1.00 0.00 C ATOM 1633 CD1 ILE B 13 -8.273 4.641 8.962 1.00 0.00 C ATOM 0 H ILE B 13 -7.657 1.798 6.284 1.00 0.00 H new ATOM 0 HA ILE B 13 -7.246 0.654 8.788 1.00 0.00 H new ATOM 0 HB ILE B 13 -9.476 2.429 7.760 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -6.840 3.044 9.157 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -7.254 3.431 7.499 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -9.833 3.051 10.141 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -10.166 1.327 9.852 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -8.644 1.821 10.632 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -7.506 5.415 8.951 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -9.084 4.924 8.290 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -8.662 4.531 9.974 1.00 0.00 H new ATOM 1645 N GLY B 14 -10.132 -0.238 7.374 1.00 0.00 N ATOM 1646 CA GLY B 14 -11.225 -1.193 7.381 1.00 0.00 C ATOM 1647 C GLY B 14 -10.679 -2.608 7.270 1.00 0.00 C ATOM 1648 O GLY B 14 -11.029 -3.476 8.062 1.00 0.00 O ATOM 0 H GLY B 14 -10.232 0.483 6.659 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -11.804 -1.089 8.298 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -11.902 -0.989 6.552 1.00 0.00 H new ATOM 1652 N ILE B 15 -9.784 -2.823 6.305 1.00 0.00 N ATOM 1653 CA ILE B 15 -9.090 -4.085 6.122 1.00 0.00 C ATOM 1654 C ILE B 15 -8.391 -4.515 7.413 1.00 0.00 C ATOM 1655 O ILE B 15 -8.504 -5.672 7.803 1.00 0.00 O ATOM 1656 CB ILE B 15 -8.111 -3.964 4.945 1.00 0.00 C ATOM 1657 CG1 ILE B 15 -8.865 -3.897 3.602 1.00 0.00 C ATOM 1658 CG2 ILE B 15 -7.106 -5.115 4.968 1.00 0.00 C ATOM 1659 CD1 ILE B 15 -9.285 -5.261 3.052 1.00 0.00 C ATOM 0 H ILE B 15 -9.522 -2.112 5.623 1.00 0.00 H new ATOM 0 HA ILE B 15 -9.812 -4.866 5.884 1.00 0.00 H new ATOM 0 HB ILE B 15 -7.556 -3.032 5.051 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -9.754 -3.279 3.727 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -8.232 -3.400 2.867 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -6.419 -5.015 4.128 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -6.544 -5.088 5.901 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -7.637 -6.064 4.891 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -9.809 -5.126 2.106 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -8.400 -5.877 2.892 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -9.946 -5.753 3.766 1.00 0.00 H new ATOM 1671 N PHE B 16 -7.663 -3.613 8.081 1.00 0.00 N ATOM 1672 CA PHE B 16 -7.052 -3.950 9.361 1.00 0.00 C ATOM 1673 C PHE B 16 -8.138 -4.423 10.332 1.00 0.00 C ATOM 1674 O PHE B 16 -8.142 -5.571 10.776 1.00 0.00 O ATOM 1675 CB PHE B 16 -6.280 -2.745 9.918 1.00 0.00 C ATOM 1676 CG PHE B 16 -5.415 -3.036 11.129 1.00 0.00 C ATOM 1677 CD1 PHE B 16 -4.280 -3.857 10.996 1.00 0.00 C ATOM 1678 CD2 PHE B 16 -5.695 -2.435 12.372 1.00 0.00 C ATOM 1679 CE1 PHE B 16 -3.390 -4.013 12.071 1.00 0.00 C ATOM 1680 CE2 PHE B 16 -4.814 -2.608 13.454 1.00 0.00 C ATOM 1681 CZ PHE B 16 -3.656 -3.393 13.302 1.00 0.00 C ATOM 0 H PHE B 16 -7.487 -2.661 7.759 1.00 0.00 H new ATOM 0 HA PHE B 16 -6.335 -4.760 9.225 1.00 0.00 H new ATOM 0 HB2 PHE B 16 -5.647 -2.343 9.127 1.00 0.00 H new ATOM 0 HB3 PHE B 16 -6.995 -1.966 10.181 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -4.093 -4.369 10.064 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -6.588 -1.840 12.494 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -2.499 -4.611 11.950 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -5.026 -2.138 14.403 1.00 0.00 H new ATOM 0 HZ PHE B 16 -2.974 -3.518 14.130 1.00 0.00 H new ATOM 1691 N HIS B 17 -9.090 -3.533 10.624 1.00 0.00 N ATOM 1692 CA HIS B 17 -10.121 -3.753 11.625 1.00 0.00 C ATOM 1693 C HIS B 17 -10.901 -5.046 11.363 1.00 0.00 C ATOM 1694 O HIS B 17 -11.255 -5.734 12.321 1.00 0.00 O ATOM 1695 CB HIS B 17 -11.043 -2.529 11.702 1.00 0.00 C ATOM 1696 CG HIS B 17 -11.892 -2.486 12.951 1.00 0.00 C ATOM 1697 ND1 HIS B 17 -12.393 -3.571 13.638 1.00 0.00 N ATOM 1698 CD2 HIS B 17 -12.263 -1.360 13.637 1.00 0.00 C ATOM 1699 CE1 HIS B 17 -13.055 -3.103 14.710 1.00 0.00 C ATOM 1700 NE2 HIS B 17 -13.002 -1.762 14.754 1.00 0.00 N ATOM 0 H HIS B 17 -9.162 -2.627 10.161 1.00 0.00 H new ATOM 0 HA HIS B 17 -9.641 -3.879 12.595 1.00 0.00 H new ATOM 0 HB2 HIS B 17 -10.436 -1.625 11.654 1.00 0.00 H new ATOM 0 HB3 HIS B 17 -11.696 -2.521 10.829 1.00 0.00 H new ATOM 0 HD1 HIS B 17 -12.282 -4.551 13.380 1.00 0.00 H new ATOM 0 HD2 HIS B 17 -12.027 -0.342 13.364 1.00 0.00 H new ATOM 0 HE1 HIS B 17 -13.561 -3.721 15.437 1.00 0.00 H new ATOM 1708 N LYS B 18 -11.159 -5.370 10.092 1.00 0.00 N ATOM 1709 CA LYS B 18 -11.813 -6.598 9.651 1.00 0.00 C ATOM 1710 C LYS B 18 -11.232 -7.822 10.365 1.00 0.00 C ATOM 1711 O LYS B 18 -11.980 -8.731 10.718 1.00 0.00 O ATOM 1712 CB LYS B 18 -11.679 -6.708 8.123 1.00 0.00 C ATOM 1713 CG LYS B 18 -12.376 -7.923 7.498 1.00 0.00 C ATOM 1714 CD LYS B 18 -12.080 -8.017 5.991 1.00 0.00 C ATOM 1715 CE LYS B 18 -12.768 -6.921 5.169 1.00 0.00 C ATOM 1716 NZ LYS B 18 -12.593 -7.153 3.724 1.00 0.00 N ATOM 0 H LYS B 18 -10.907 -4.758 9.316 1.00 0.00 H new ATOM 0 HA LYS B 18 -12.871 -6.564 9.912 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.085 -5.803 7.671 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -10.620 -6.744 7.868 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -12.041 -8.834 7.995 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -13.452 -7.850 7.657 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -11.003 -7.957 5.835 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -12.401 -8.992 5.625 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -13.831 -6.894 5.410 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -12.356 -5.948 5.437 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -12.721 -6.258 3.211 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -11.637 -7.521 3.545 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -13.297 -7.844 3.396 1.00 0.00 H new ATOM 1730 N TYR B 19 -9.911 -7.846 10.578 1.00 0.00 N ATOM 1731 CA TYR B 19 -9.252 -8.911 11.319 1.00 0.00 C ATOM 1732 C TYR B 19 -8.944 -8.435 12.741 1.00 0.00 C ATOM 1733 O TYR B 19 -9.454 -9.013 13.701 1.00 0.00 O ATOM 1734 CB TYR B 19 -8.017 -9.402 10.556 1.00 0.00 C ATOM 1735 CG TYR B 19 -8.349 -10.051 9.221 1.00 0.00 C ATOM 1736 CD1 TYR B 19 -8.519 -9.251 8.078 1.00 0.00 C ATOM 1737 CD2 TYR B 19 -8.589 -11.437 9.139 1.00 0.00 C ATOM 1738 CE1 TYR B 19 -8.894 -9.831 6.853 1.00 0.00 C ATOM 1739 CE2 TYR B 19 -9.014 -12.008 7.927 1.00 0.00 C ATOM 1740 CZ TYR B 19 -9.157 -11.209 6.782 1.00 0.00 C ATOM 1741 OH TYR B 19 -9.573 -11.774 5.614 1.00 0.00 O ATOM 0 H TYR B 19 -9.275 -7.124 10.239 1.00 0.00 H new ATOM 0 HA TYR B 19 -9.913 -9.773 11.412 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -7.346 -8.560 10.385 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -7.478 -10.118 11.176 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -8.361 -8.185 8.141 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -8.446 -12.061 10.009 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -8.980 -9.218 5.968 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -9.231 -13.065 7.877 1.00 0.00 H new ATOM 0 HH TYR B 19 -9.716 -11.073 4.944 1.00 0.00 H new ATOM 1751 N SER B 20 -8.146 -7.371 12.888 1.00 0.00 N ATOM 1752 CA SER B 20 -7.652 -6.898 14.176 1.00 0.00 C ATOM 1753 C SER B 20 -8.765 -6.727 15.204 1.00 0.00 C ATOM 1754 O SER B 20 -8.551 -6.985 16.386 1.00 0.00 O ATOM 1755 CB SER B 20 -6.884 -5.588 13.992 1.00 0.00 C ATOM 1756 OG SER B 20 -6.090 -5.683 12.830 1.00 0.00 O ATOM 0 H SER B 20 -7.823 -6.809 12.100 1.00 0.00 H new ATOM 0 HA SER B 20 -6.980 -7.662 14.567 1.00 0.00 H new ATOM 0 HB2 SER B 20 -7.579 -4.753 13.906 1.00 0.00 H new ATOM 0 HB3 SER B 20 -6.257 -5.393 14.862 1.00 0.00 H new ATOM 0 HG SER B 20 -5.689 -4.810 12.636 1.00 0.00 H new ATOM 1847 N HIS B 27 -5.679 -2.592 18.130 1.00 0.00 N ATOM 1848 CA HIS B 27 -4.563 -1.833 17.576 1.00 0.00 C ATOM 1849 C HIS B 27 -3.475 -2.771 17.034 1.00 0.00 C ATOM 1850 O HIS B 27 -2.592 -2.334 16.291 1.00 0.00 O ATOM 1851 CB HIS B 27 -3.978 -0.956 18.696 1.00 0.00 C ATOM 1852 CG HIS B 27 -2.760 -0.152 18.308 1.00 0.00 C ATOM 1853 ND1 HIS B 27 -1.606 -0.043 19.050 1.00 0.00 N ATOM 1854 CD2 HIS B 27 -2.555 0.509 17.127 1.00 0.00 C ATOM 1855 CE1 HIS B 27 -0.725 0.668 18.325 1.00 0.00 C ATOM 1856 NE2 HIS B 27 -1.248 1.007 17.136 1.00 0.00 N ATOM 0 HA HIS B 27 -4.918 -1.218 16.749 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -4.752 -0.271 19.042 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -3.719 -1.596 19.540 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -3.274 0.625 16.330 1.00 0.00 H new ATOM 0 HE1 HIS B 27 0.269 0.931 18.655 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -0.785 1.524 16.389 1.00 0.00 H new ATOM 1864 N THR B 28 -3.530 -4.047 17.412 1.00 0.00 N ATOM 1865 CA THR B 28 -2.526 -5.054 17.120 1.00 0.00 C ATOM 1866 C THR B 28 -3.173 -6.307 16.525 1.00 0.00 C ATOM 1867 O THR B 28 -4.374 -6.521 16.686 1.00 0.00 O ATOM 1868 CB THR B 28 -1.770 -5.389 18.418 1.00 0.00 C ATOM 1869 OG1 THR B 28 -2.625 -5.323 19.543 1.00 0.00 O ATOM 1870 CG2 THR B 28 -0.622 -4.412 18.685 1.00 0.00 C ATOM 0 H THR B 28 -4.311 -4.417 17.953 1.00 0.00 H new ATOM 0 HA THR B 28 -1.824 -4.668 16.381 1.00 0.00 H new ATOM 0 HB THR B 28 -1.383 -6.398 18.277 1.00 0.00 H new ATOM 0 HG1 THR B 28 -2.118 -5.542 20.353 1.00 0.00 H new ATOM 0 HG21 THR B 28 -0.118 -4.688 19.611 1.00 0.00 H new ATOM 0 HG22 THR B 28 0.088 -4.451 17.859 1.00 0.00 H new ATOM 0 HG23 THR B 28 -1.018 -3.401 18.775 1.00 0.00 H new ATOM 1878 N LEU B 29 -2.372 -7.143 15.856 1.00 0.00 N ATOM 1879 CA LEU B 29 -2.789 -8.473 15.428 1.00 0.00 C ATOM 1880 C LEU B 29 -1.587 -9.398 15.225 1.00 0.00 C ATOM 1881 O LEU B 29 -0.460 -8.923 15.106 1.00 0.00 O ATOM 1882 CB LEU B 29 -3.697 -8.432 14.187 1.00 0.00 C ATOM 1883 CG LEU B 29 -3.314 -7.465 13.060 1.00 0.00 C ATOM 1884 CD1 LEU B 29 -1.833 -7.487 12.686 1.00 0.00 C ATOM 1885 CD2 LEU B 29 -4.131 -7.817 11.814 1.00 0.00 C ATOM 0 H LEU B 29 -1.413 -6.911 15.597 1.00 0.00 H new ATOM 0 HA LEU B 29 -3.390 -8.891 16.235 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -3.739 -9.437 13.768 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -4.705 -8.182 14.516 1.00 0.00 H new ATOM 0 HG LEU B 29 -3.527 -6.463 13.431 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.650 -6.774 11.882 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.234 -7.215 13.555 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.556 -8.488 12.354 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -3.869 -7.137 11.003 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -3.913 -8.842 11.513 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.194 -7.723 12.037 1.00 0.00 H new ATOM 1897 N SER B 30 -1.836 -10.713 15.212 1.00 0.00 N ATOM 1898 CA SER B 30 -0.811 -11.752 15.139 1.00 0.00 C ATOM 1899 C SER B 30 -0.770 -12.463 13.783 1.00 0.00 C ATOM 1900 O SER B 30 -1.758 -12.480 13.052 1.00 0.00 O ATOM 1901 CB SER B 30 -1.049 -12.766 16.262 1.00 0.00 C ATOM 1902 OG SER B 30 -0.851 -12.148 17.514 1.00 0.00 O ATOM 0 H SER B 30 -2.783 -11.090 15.253 1.00 0.00 H new ATOM 0 HA SER B 30 0.158 -11.267 15.258 1.00 0.00 H new ATOM 0 HB2 SER B 30 -2.062 -13.162 16.198 1.00 0.00 H new ATOM 0 HB3 SER B 30 -0.369 -13.611 16.152 1.00 0.00 H new ATOM 0 HG SER B 30 -1.006 -12.800 18.229 1.00 0.00 H new ATOM 1908 N LYS B 31 0.382 -13.082 13.495 1.00 0.00 N ATOM 1909 CA LYS B 31 0.742 -13.852 12.304 1.00 0.00 C ATOM 1910 C LYS B 31 -0.437 -14.427 11.512 1.00 0.00 C ATOM 1911 O LYS B 31 -0.585 -14.126 10.329 1.00 0.00 O ATOM 1912 CB LYS B 31 1.791 -14.927 12.650 1.00 0.00 C ATOM 1913 CG LYS B 31 1.584 -15.632 14.002 1.00 0.00 C ATOM 1914 CD LYS B 31 2.533 -16.828 14.181 1.00 0.00 C ATOM 1915 CE LYS B 31 4.004 -16.402 14.269 1.00 0.00 C ATOM 1916 NZ LYS B 31 4.888 -17.554 14.519 1.00 0.00 N ATOM 0 H LYS B 31 1.158 -13.051 14.156 1.00 0.00 H new ATOM 0 HA LYS B 31 1.184 -13.131 11.616 1.00 0.00 H new ATOM 0 HB2 LYS B 31 1.790 -15.680 11.862 1.00 0.00 H new ATOM 0 HB3 LYS B 31 2.778 -14.464 12.647 1.00 0.00 H new ATOM 0 HG2 LYS B 31 1.744 -14.919 14.811 1.00 0.00 H new ATOM 0 HG3 LYS B 31 0.552 -15.974 14.078 1.00 0.00 H new ATOM 0 HD2 LYS B 31 2.261 -17.372 15.086 1.00 0.00 H new ATOM 0 HD3 LYS B 31 2.407 -17.516 13.345 1.00 0.00 H new ATOM 0 HE2 LYS B 31 4.298 -15.912 13.341 1.00 0.00 H new ATOM 0 HE3 LYS B 31 4.124 -15.670 15.068 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 5.875 -17.229 14.573 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 4.623 -18.006 15.417 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 4.791 -18.241 13.744 1.00 0.00 H new ATOM 1930 N LYS B 32 -1.275 -15.249 12.149 1.00 0.00 N ATOM 1931 CA LYS B 32 -2.445 -15.859 11.538 1.00 0.00 C ATOM 1932 C LYS B 32 -3.256 -14.827 10.749 1.00 0.00 C ATOM 1933 O LYS B 32 -3.585 -15.039 9.582 1.00 0.00 O ATOM 1934 CB LYS B 32 -3.277 -16.511 12.655 1.00 0.00 C ATOM 1935 CG LYS B 32 -4.597 -17.134 12.179 1.00 0.00 C ATOM 1936 CD LYS B 32 -4.425 -18.136 11.031 1.00 0.00 C ATOM 1937 CE LYS B 32 -3.602 -19.363 11.445 1.00 0.00 C ATOM 1938 NZ LYS B 32 -3.559 -20.363 10.366 1.00 0.00 N ATOM 0 H LYS B 32 -1.150 -15.511 13.127 1.00 0.00 H new ATOM 0 HA LYS B 32 -2.142 -16.621 10.820 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -2.677 -17.284 13.135 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.496 -15.760 13.414 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -5.076 -17.636 13.020 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -5.269 -16.338 11.858 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -5.406 -18.460 10.685 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -3.938 -17.642 10.191 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -2.588 -19.055 11.700 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -4.034 -19.809 12.341 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -2.996 -21.182 10.674 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -4.526 -20.673 10.141 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -3.125 -19.942 9.520 1.00 0.00 H new ATOM 1952 N GLU B 33 -3.556 -13.694 11.385 1.00 0.00 N ATOM 1953 CA GLU B 33 -4.347 -12.640 10.784 1.00 0.00 C ATOM 1954 C GLU B 33 -3.592 -11.933 9.661 1.00 0.00 C ATOM 1955 O GLU B 33 -4.227 -11.431 8.742 1.00 0.00 O ATOM 1956 CB GLU B 33 -4.827 -11.656 11.851 1.00 0.00 C ATOM 1957 CG GLU B 33 -5.776 -12.363 12.830 1.00 0.00 C ATOM 1958 CD GLU B 33 -6.541 -11.406 13.736 1.00 0.00 C ATOM 1959 OE1 GLU B 33 -6.347 -10.179 13.594 1.00 0.00 O ATOM 1960 OE2 GLU B 33 -7.324 -11.928 14.556 1.00 0.00 O ATOM 0 H GLU B 33 -3.251 -13.489 12.337 1.00 0.00 H new ATOM 0 HA GLU B 33 -5.225 -13.098 10.328 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -3.973 -11.247 12.391 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -5.337 -10.816 11.379 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -6.489 -12.962 12.263 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -5.200 -13.052 13.447 1.00 0.00 H new ATOM 1967 N LEU B 34 -2.258 -11.891 9.700 1.00 0.00 N ATOM 1968 CA LEU B 34 -1.464 -11.294 8.628 1.00 0.00 C ATOM 1969 C LEU B 34 -1.456 -12.214 7.407 1.00 0.00 C ATOM 1970 O LEU B 34 -1.680 -11.764 6.283 1.00 0.00 O ATOM 1971 CB LEU B 34 -0.047 -10.997 9.119 1.00 0.00 C ATOM 1972 CG LEU B 34 -0.041 -9.829 10.117 1.00 0.00 C ATOM 1973 CD1 LEU B 34 1.188 -9.939 11.017 1.00 0.00 C ATOM 1974 CD2 LEU B 34 -0.030 -8.475 9.395 1.00 0.00 C ATOM 0 H LEU B 34 -1.704 -12.267 10.469 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.915 -10.347 8.331 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.371 -11.886 9.592 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.593 -10.757 8.270 1.00 0.00 H new ATOM 0 HG LEU B 34 -0.951 -9.885 10.715 1.00 0.00 H new ATOM 0 HD11 LEU B 34 1.195 -9.111 11.726 1.00 0.00 H new ATOM 0 HD12 LEU B 34 1.157 -10.883 11.561 1.00 0.00 H new ATOM 0 HD13 LEU B 34 2.090 -9.901 10.407 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -0.026 -7.671 10.130 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.862 -8.402 8.772 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.918 -8.389 8.769 1.00 0.00 H new ATOM 1986 N LYS B 35 -1.222 -13.510 7.630 1.00 0.00 N ATOM 1987 CA LYS B 35 -1.341 -14.518 6.589 1.00 0.00 C ATOM 1988 C LYS B 35 -2.745 -14.469 5.975 1.00 0.00 C ATOM 1989 O LYS B 35 -2.878 -14.419 4.753 1.00 0.00 O ATOM 1990 CB LYS B 35 -0.982 -15.901 7.147 1.00 0.00 C ATOM 1991 CG LYS B 35 0.544 -16.053 7.233 1.00 0.00 C ATOM 1992 CD LYS B 35 0.925 -17.334 7.985 1.00 0.00 C ATOM 1993 CE LYS B 35 2.369 -17.764 7.693 1.00 0.00 C ATOM 1994 NZ LYS B 35 3.334 -16.668 7.883 1.00 0.00 N ATOM 0 H LYS B 35 -0.945 -13.883 8.538 1.00 0.00 H new ATOM 0 HA LYS B 35 -0.633 -14.310 5.787 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -1.425 -16.030 8.135 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -1.398 -16.679 6.507 1.00 0.00 H new ATOM 0 HG2 LYS B 35 0.968 -16.076 6.229 1.00 0.00 H new ATOM 0 HG3 LYS B 35 0.972 -15.188 7.740 1.00 0.00 H new ATOM 0 HD2 LYS B 35 0.804 -17.175 9.057 1.00 0.00 H new ATOM 0 HD3 LYS B 35 0.244 -18.136 7.703 1.00 0.00 H new ATOM 0 HE2 LYS B 35 2.636 -18.596 8.345 1.00 0.00 H new ATOM 0 HE3 LYS B 35 2.436 -18.129 6.668 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 4.187 -17.034 8.351 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 3.591 -16.268 6.958 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 2.906 -15.927 8.474 1.00 0.00 H new ATOM 2008 N GLU B 36 -3.788 -14.436 6.812 1.00 0.00 N ATOM 2009 CA GLU B 36 -5.143 -14.219 6.326 1.00 0.00 C ATOM 2010 C GLU B 36 -5.232 -12.934 5.506 1.00 0.00 C ATOM 2011 O GLU B 36 -5.668 -12.987 4.365 1.00 0.00 O ATOM 2012 CB GLU B 36 -6.157 -14.171 7.470 1.00 0.00 C ATOM 2013 CG GLU B 36 -6.552 -15.567 7.952 1.00 0.00 C ATOM 2014 CD GLU B 36 -7.488 -15.472 9.152 1.00 0.00 C ATOM 2015 OE1 GLU B 36 -6.972 -15.201 10.258 1.00 0.00 O ATOM 2016 OE2 GLU B 36 -8.707 -15.651 8.940 1.00 0.00 O ATOM 0 H GLU B 36 -3.714 -14.557 7.822 1.00 0.00 H new ATOM 0 HA GLU B 36 -5.389 -15.068 5.687 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -5.736 -13.607 8.302 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -7.048 -13.637 7.141 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -7.040 -16.112 7.144 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -5.659 -16.131 8.223 1.00 0.00 H new ATOM 2023 N LEU B 37 -4.850 -11.789 6.077 1.00 0.00 N ATOM 2024 CA LEU B 37 -4.910 -10.499 5.404 1.00 0.00 C ATOM 2025 C LEU B 37 -4.346 -10.612 3.994 1.00 0.00 C ATOM 2026 O LEU B 37 -5.058 -10.345 3.027 1.00 0.00 O ATOM 2027 CB LEU B 37 -4.144 -9.428 6.196 1.00 0.00 C ATOM 2028 CG LEU B 37 -5.007 -8.738 7.258 1.00 0.00 C ATOM 2029 CD1 LEU B 37 -4.120 -8.052 8.298 1.00 0.00 C ATOM 2030 CD2 LEU B 37 -5.877 -7.668 6.596 1.00 0.00 C ATOM 0 H LEU B 37 -4.488 -11.736 7.029 1.00 0.00 H new ATOM 0 HA LEU B 37 -5.956 -10.197 5.345 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -3.282 -9.888 6.679 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -3.760 -8.678 5.505 1.00 0.00 H new ATOM 0 HG LEU B 37 -5.628 -9.493 7.740 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -4.746 -7.566 9.046 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.486 -8.795 8.782 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -3.495 -7.306 7.808 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -6.490 -7.178 7.353 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.239 -6.929 6.112 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -6.523 -8.134 5.851 1.00 0.00 H new ATOM 2042 N ILE B 38 -3.081 -11.012 3.862 1.00 0.00 N ATOM 2043 CA ILE B 38 -2.477 -11.073 2.542 1.00 0.00 C ATOM 2044 C ILE B 38 -3.215 -12.098 1.668 1.00 0.00 C ATOM 2045 O ILE B 38 -3.654 -11.758 0.575 1.00 0.00 O ATOM 2046 CB ILE B 38 -0.946 -11.227 2.632 1.00 0.00 C ATOM 2047 CG1 ILE B 38 -0.273 -10.850 1.302 1.00 0.00 C ATOM 2048 CG2 ILE B 38 -0.508 -12.621 3.089 1.00 0.00 C ATOM 2049 CD1 ILE B 38 1.246 -10.698 1.436 1.00 0.00 C ATOM 0 H ILE B 38 -2.473 -11.290 4.633 1.00 0.00 H new ATOM 0 HA ILE B 38 -2.604 -10.124 2.021 1.00 0.00 H new ATOM 0 HB ILE B 38 -0.614 -10.530 3.402 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -0.494 -11.614 0.557 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -0.698 -9.915 0.936 1.00 0.00 H new ATOM 0 HG21 ILE B 38 0.580 -12.665 3.132 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -0.919 -12.825 4.078 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -0.873 -13.367 2.383 1.00 0.00 H new ATOM 0 HD11 ILE B 38 1.672 -10.431 0.469 1.00 0.00 H new ATOM 0 HD12 ILE B 38 1.471 -9.915 2.160 1.00 0.00 H new ATOM 0 HD13 ILE B 38 1.677 -11.640 1.775 1.00 0.00 H new ATOM 2061 N GLN B 39 -3.425 -13.329 2.143 1.00 0.00 N ATOM 2062 CA GLN B 39 -4.036 -14.370 1.324 1.00 0.00 C ATOM 2063 C GLN B 39 -5.443 -13.979 0.836 1.00 0.00 C ATOM 2064 O GLN B 39 -5.744 -14.103 -0.349 1.00 0.00 O ATOM 2065 CB GLN B 39 -4.028 -15.689 2.108 1.00 0.00 C ATOM 2066 CG GLN B 39 -4.560 -16.866 1.279 1.00 0.00 C ATOM 2067 CD GLN B 39 -4.643 -18.142 2.109 1.00 0.00 C ATOM 2068 OE1 GLN B 39 -5.728 -18.652 2.371 1.00 0.00 O ATOM 2069 NE2 GLN B 39 -3.500 -18.667 2.542 1.00 0.00 N ATOM 0 H GLN B 39 -3.180 -13.625 3.088 1.00 0.00 H new ATOM 0 HA GLN B 39 -3.447 -14.500 0.416 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -3.011 -15.908 2.434 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -4.634 -15.578 3.007 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -5.547 -16.620 0.888 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -3.909 -17.031 0.420 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -2.613 -18.221 2.308 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -3.511 -19.516 3.108 1.00 0.00 H new ATOM 2078 N LYS B 40 -6.318 -13.550 1.747 1.00 0.00 N ATOM 2079 CA LYS B 40 -7.699 -13.205 1.442 1.00 0.00 C ATOM 2080 C LYS B 40 -7.757 -11.876 0.682 1.00 0.00 C ATOM 2081 O LYS B 40 -8.411 -11.782 -0.354 1.00 0.00 O ATOM 2082 CB LYS B 40 -8.553 -13.081 2.723 1.00 0.00 C ATOM 2083 CG LYS B 40 -9.155 -14.366 3.330 1.00 0.00 C ATOM 2084 CD LYS B 40 -8.269 -15.131 4.322 1.00 0.00 C ATOM 2085 CE LYS B 40 -7.392 -16.195 3.657 1.00 0.00 C ATOM 2086 NZ LYS B 40 -8.170 -17.341 3.160 1.00 0.00 N ATOM 0 H LYS B 40 -6.079 -13.432 2.732 1.00 0.00 H new ATOM 0 HA LYS B 40 -8.104 -14.009 0.828 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -7.937 -12.609 3.488 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -9.375 -12.398 2.509 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -10.085 -14.103 3.835 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -9.415 -15.040 2.514 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.631 -14.422 4.849 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -8.902 -15.608 5.070 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -6.846 -15.744 2.828 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -6.650 -16.548 4.373 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -7.521 -18.083 2.827 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -8.762 -17.718 3.928 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -8.777 -17.034 2.373 1.00 0.00 H new ATOM 2100 N GLU B 41 -7.130 -10.828 1.226 1.00 0.00 N ATOM 2101 CA GLU B 41 -7.322 -9.466 0.744 1.00 0.00 C ATOM 2102 C GLU B 41 -6.353 -9.075 -0.376 1.00 0.00 C ATOM 2103 O GLU B 41 -6.618 -8.096 -1.071 1.00 0.00 O ATOM 2104 CB GLU B 41 -7.233 -8.468 1.903 1.00 0.00 C ATOM 2105 CG GLU B 41 -8.014 -8.874 3.164 1.00 0.00 C ATOM 2106 CD GLU B 41 -9.510 -9.070 2.942 1.00 0.00 C ATOM 2107 OE1 GLU B 41 -10.097 -8.252 2.202 1.00 0.00 O ATOM 2108 OE2 GLU B 41 -10.046 -10.017 3.559 1.00 0.00 O ATOM 0 H GLU B 41 -6.480 -10.904 2.008 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.322 -9.432 0.311 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.185 -8.334 2.169 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.601 -7.501 1.560 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -7.593 -9.800 3.555 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -7.869 -8.110 3.928 1.00 0.00 H new ATOM 2115 N LEU B 42 -5.243 -9.798 -0.551 1.00 0.00 N ATOM 2116 CA LEU B 42 -4.304 -9.645 -1.657 1.00 0.00 C ATOM 2117 C LEU B 42 -4.183 -10.995 -2.359 1.00 0.00 C ATOM 2118 O LEU B 42 -3.137 -11.637 -2.317 1.00 0.00 O ATOM 2119 CB LEU B 42 -2.947 -9.133 -1.147 1.00 0.00 C ATOM 2120 CG LEU B 42 -2.976 -7.650 -0.763 1.00 0.00 C ATOM 2121 CD1 LEU B 42 -1.773 -7.316 0.117 1.00 0.00 C ATOM 2122 CD2 LEU B 42 -2.940 -6.771 -2.017 1.00 0.00 C ATOM 0 H LEU B 42 -4.967 -10.533 0.101 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.664 -8.903 -2.369 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.644 -9.722 -0.281 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.192 -9.289 -1.918 1.00 0.00 H new ATOM 0 HG LEU B 42 -3.898 -7.455 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -1.801 -6.260 0.386 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -1.805 -7.922 1.023 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -0.853 -7.527 -0.428 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -2.961 -5.721 -1.726 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.027 -6.974 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -3.806 -6.992 -2.641 1.00 0.00 H new ATOM 2243 N ASP B 50 8.378 -11.404 -5.872 1.00 0.00 N ATOM 2244 CA ASP B 50 9.046 -11.790 -4.634 1.00 0.00 C ATOM 2245 C ASP B 50 8.322 -11.219 -3.420 1.00 0.00 C ATOM 2246 O ASP B 50 8.094 -11.939 -2.456 1.00 0.00 O ATOM 2247 CB ASP B 50 10.526 -11.369 -4.628 1.00 0.00 C ATOM 2248 CG ASP B 50 10.759 -9.858 -4.618 1.00 0.00 C ATOM 2249 OD1 ASP B 50 9.984 -9.145 -5.296 1.00 0.00 O ATOM 2250 OD2 ASP B 50 11.704 -9.437 -3.919 1.00 0.00 O ATOM 0 HA ASP B 50 9.011 -12.878 -4.576 1.00 0.00 H new ATOM 0 HB2 ASP B 50 11.010 -11.804 -3.753 1.00 0.00 H new ATOM 0 HB3 ASP B 50 11.014 -11.793 -5.506 1.00 0.00 H new ATOM 2255 N ALA B 51 7.969 -9.932 -3.460 1.00 0.00 N ATOM 2256 CA ALA B 51 7.467 -9.191 -2.311 1.00 0.00 C ATOM 2257 C ALA B 51 6.462 -9.984 -1.476 1.00 0.00 C ATOM 2258 O ALA B 51 6.640 -10.135 -0.273 1.00 0.00 O ATOM 2259 CB ALA B 51 6.833 -7.890 -2.788 1.00 0.00 C ATOM 0 H ALA B 51 8.027 -9.370 -4.309 1.00 0.00 H new ATOM 0 HA ALA B 51 8.319 -8.988 -1.662 1.00 0.00 H new ATOM 0 HB1 ALA B 51 6.456 -7.333 -1.930 1.00 0.00 H new ATOM 0 HB2 ALA B 51 7.580 -7.291 -3.310 1.00 0.00 H new ATOM 0 HB3 ALA B 51 6.009 -8.114 -3.466 1.00 0.00 H new ATOM 2265 N GLU B 52 5.405 -10.487 -2.116 1.00 0.00 N ATOM 2266 CA GLU B 52 4.339 -11.230 -1.456 1.00 0.00 C ATOM 2267 C GLU B 52 4.894 -12.477 -0.759 1.00 0.00 C ATOM 2268 O GLU B 52 4.527 -12.786 0.375 1.00 0.00 O ATOM 2269 CB GLU B 52 3.272 -11.569 -2.511 1.00 0.00 C ATOM 2270 CG GLU B 52 2.069 -12.349 -1.959 1.00 0.00 C ATOM 2271 CD GLU B 52 1.104 -12.787 -3.061 1.00 0.00 C ATOM 2272 OE1 GLU B 52 1.328 -12.382 -4.223 1.00 0.00 O ATOM 2273 OE2 GLU B 52 0.176 -13.552 -2.723 1.00 0.00 O ATOM 0 H GLU B 52 5.267 -10.386 -3.122 1.00 0.00 H new ATOM 0 HA GLU B 52 3.880 -10.629 -0.671 1.00 0.00 H new ATOM 0 HB2 GLU B 52 2.915 -10.643 -2.962 1.00 0.00 H new ATOM 0 HB3 GLU B 52 3.736 -12.152 -3.306 1.00 0.00 H new ATOM 0 HG2 GLU B 52 2.425 -13.228 -1.421 1.00 0.00 H new ATOM 0 HG3 GLU B 52 1.536 -11.728 -1.239 1.00 0.00 H new ATOM 2280 N ILE B 53 5.785 -13.187 -1.448 1.00 0.00 N ATOM 2281 CA ILE B 53 6.392 -14.413 -0.965 1.00 0.00 C ATOM 2282 C ILE B 53 7.202 -14.048 0.284 1.00 0.00 C ATOM 2283 O ILE B 53 7.032 -14.628 1.355 1.00 0.00 O ATOM 2284 CB ILE B 53 7.279 -15.047 -2.063 1.00 0.00 C ATOM 2285 CG1 ILE B 53 6.575 -15.340 -3.407 1.00 0.00 C ATOM 2286 CG2 ILE B 53 7.855 -16.373 -1.544 1.00 0.00 C ATOM 2287 CD1 ILE B 53 6.040 -14.127 -4.183 1.00 0.00 C ATOM 0 H ILE B 53 6.108 -12.915 -2.377 1.00 0.00 H new ATOM 0 HA ILE B 53 5.637 -15.157 -0.713 1.00 0.00 H new ATOM 0 HB ILE B 53 8.042 -14.297 -2.270 1.00 0.00 H new ATOM 0 HG12 ILE B 53 7.276 -15.873 -4.049 1.00 0.00 H new ATOM 0 HG13 ILE B 53 5.742 -16.016 -3.215 1.00 0.00 H new ATOM 0 HG21 ILE B 53 8.481 -16.824 -2.314 1.00 0.00 H new ATOM 0 HG22 ILE B 53 8.454 -16.185 -0.653 1.00 0.00 H new ATOM 0 HG23 ILE B 53 7.039 -17.052 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE B 53 5.569 -14.465 -5.106 1.00 0.00 H new ATOM 0 HD12 ILE B 53 5.306 -13.600 -3.573 1.00 0.00 H new ATOM 0 HD13 ILE B 53 6.864 -13.455 -4.421 1.00 0.00 H new ATOM 2299 N VAL B 54 8.072 -13.046 0.138 1.00 0.00 N ATOM 2300 CA VAL B 54 8.923 -12.542 1.200 1.00 0.00 C ATOM 2301 C VAL B 54 8.077 -12.102 2.393 1.00 0.00 C ATOM 2302 O VAL B 54 8.426 -12.429 3.519 1.00 0.00 O ATOM 2303 CB VAL B 54 9.835 -11.426 0.658 1.00 0.00 C ATOM 2304 CG1 VAL B 54 10.665 -10.775 1.773 1.00 0.00 C ATOM 2305 CG2 VAL B 54 10.800 -12.011 -0.381 1.00 0.00 C ATOM 0 H VAL B 54 8.202 -12.556 -0.747 1.00 0.00 H new ATOM 0 HA VAL B 54 9.577 -13.336 1.561 1.00 0.00 H new ATOM 0 HB VAL B 54 9.192 -10.667 0.212 1.00 0.00 H new ATOM 0 HG11 VAL B 54 11.295 -9.993 1.349 1.00 0.00 H new ATOM 0 HG12 VAL B 54 9.997 -10.340 2.517 1.00 0.00 H new ATOM 0 HG13 VAL B 54 11.293 -11.529 2.247 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.445 -11.220 -0.764 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.411 -12.784 0.085 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.230 -12.445 -1.203 1.00 0.00 H new ATOM 2315 N LYS B 55 6.969 -11.392 2.174 1.00 0.00 N ATOM 2316 CA LYS B 55 6.042 -11.014 3.235 1.00 0.00 C ATOM 2317 C LYS B 55 5.537 -12.263 3.959 1.00 0.00 C ATOM 2318 O LYS B 55 5.643 -12.355 5.184 1.00 0.00 O ATOM 2319 CB LYS B 55 4.883 -10.178 2.666 1.00 0.00 C ATOM 2320 CG LYS B 55 4.951 -8.685 3.023 1.00 0.00 C ATOM 2321 CD LYS B 55 6.066 -7.880 2.334 1.00 0.00 C ATOM 2322 CE LYS B 55 7.475 -8.032 2.922 1.00 0.00 C ATOM 2323 NZ LYS B 55 7.508 -7.754 4.371 1.00 0.00 N ATOM 0 H LYS B 55 6.691 -11.063 1.250 1.00 0.00 H new ATOM 0 HA LYS B 55 6.565 -10.393 3.963 1.00 0.00 H new ATOM 0 HB2 LYS B 55 4.874 -10.281 1.581 1.00 0.00 H new ATOM 0 HB3 LYS B 55 3.941 -10.586 3.033 1.00 0.00 H new ATOM 0 HG2 LYS B 55 3.993 -8.228 2.775 1.00 0.00 H new ATOM 0 HG3 LYS B 55 5.078 -8.595 4.102 1.00 0.00 H new ATOM 0 HD2 LYS B 55 6.100 -8.171 1.284 1.00 0.00 H new ATOM 0 HD3 LYS B 55 5.795 -6.825 2.363 1.00 0.00 H new ATOM 0 HE2 LYS B 55 7.835 -9.044 2.740 1.00 0.00 H new ATOM 0 HE3 LYS B 55 8.156 -7.354 2.408 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 8.408 -7.294 4.616 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 6.718 -7.126 4.622 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 7.421 -8.646 4.898 1.00 0.00 H new ATOM 2337 N LEU B 56 4.996 -13.226 3.204 1.00 0.00 N ATOM 2338 CA LEU B 56 4.503 -14.477 3.768 1.00 0.00 C ATOM 2339 C LEU B 56 5.566 -15.141 4.650 1.00 0.00 C ATOM 2340 O LEU B 56 5.237 -15.602 5.741 1.00 0.00 O ATOM 2341 CB LEU B 56 4.020 -15.429 2.662 1.00 0.00 C ATOM 2342 CG LEU B 56 2.651 -15.037 2.082 1.00 0.00 C ATOM 2343 CD1 LEU B 56 2.455 -15.709 0.719 1.00 0.00 C ATOM 2344 CD2 LEU B 56 1.516 -15.475 3.020 1.00 0.00 C ATOM 0 H LEU B 56 4.890 -13.156 2.192 1.00 0.00 H new ATOM 0 HA LEU B 56 3.647 -14.245 4.401 1.00 0.00 H new ATOM 0 HB2 LEU B 56 4.757 -15.446 1.859 1.00 0.00 H new ATOM 0 HB3 LEU B 56 3.962 -16.441 3.062 1.00 0.00 H new ATOM 0 HG LEU B 56 2.625 -13.953 1.973 1.00 0.00 H new ATOM 0 HD11 LEU B 56 1.484 -15.429 0.311 1.00 0.00 H new ATOM 0 HD12 LEU B 56 3.242 -15.385 0.037 1.00 0.00 H new ATOM 0 HD13 LEU B 56 2.500 -16.792 0.837 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.557 -15.187 2.590 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.547 -16.557 3.148 1.00 0.00 H new ATOM 0 HD23 LEU B 56 1.638 -14.992 3.989 1.00 0.00 H new ATOM 2356 N MET B 57 6.827 -15.187 4.199 1.00 0.00 N ATOM 2357 CA MET B 57 7.898 -15.730 5.028 1.00 0.00 C ATOM 2358 C MET B 57 8.110 -14.824 6.252 1.00 0.00 C ATOM 2359 O MET B 57 7.881 -15.228 7.392 1.00 0.00 O ATOM 2360 CB MET B 57 9.212 -15.886 4.240 1.00 0.00 C ATOM 2361 CG MET B 57 9.175 -16.724 2.954 1.00 0.00 C ATOM 2362 SD MET B 57 8.381 -18.355 2.979 1.00 0.00 S ATOM 2363 CE MET B 57 6.749 -17.957 2.309 1.00 0.00 C ATOM 0 H MET B 57 7.122 -14.859 3.279 1.00 0.00 H new ATOM 0 HA MET B 57 7.600 -16.726 5.356 1.00 0.00 H new ATOM 0 HB2 MET B 57 9.569 -14.889 3.981 1.00 0.00 H new ATOM 0 HB3 MET B 57 9.953 -16.327 4.907 1.00 0.00 H new ATOM 0 HG2 MET B 57 8.676 -16.129 2.189 1.00 0.00 H new ATOM 0 HG3 MET B 57 10.205 -16.866 2.626 1.00 0.00 H new ATOM 0 HE1 MET B 57 6.286 -18.862 1.917 1.00 0.00 H new ATOM 0 HE2 MET B 57 6.123 -17.542 3.099 1.00 0.00 H new ATOM 0 HE3 MET B 57 6.853 -17.226 1.507 1.00 0.00 H new ATOM 2373 N ASP B 58 8.556 -13.590 5.988 1.00 0.00 N ATOM 2374 CA ASP B 58 8.938 -12.554 6.941 1.00 0.00 C ATOM 2375 C ASP B 58 7.988 -12.496 8.126 1.00 0.00 C ATOM 2376 O ASP B 58 8.442 -12.391 9.262 1.00 0.00 O ATOM 2377 CB ASP B 58 8.983 -11.189 6.239 1.00 0.00 C ATOM 2378 CG ASP B 58 9.260 -10.042 7.211 1.00 0.00 C ATOM 2379 OD1 ASP B 58 10.240 -10.165 7.975 1.00 0.00 O ATOM 2380 OD2 ASP B 58 8.488 -9.057 7.165 1.00 0.00 O ATOM 0 H ASP B 58 8.666 -13.270 5.026 1.00 0.00 H new ATOM 0 HA ASP B 58 9.928 -12.804 7.323 1.00 0.00 H new ATOM 0 HB2 ASP B 58 9.755 -11.204 5.470 1.00 0.00 H new ATOM 0 HB3 ASP B 58 8.034 -11.012 5.734 1.00 0.00 H new ATOM 2385 N ASP B 59 6.682 -12.588 7.862 1.00 0.00 N ATOM 2386 CA ASP B 59 5.642 -12.618 8.879 1.00 0.00 C ATOM 2387 C ASP B 59 6.053 -13.438 10.108 1.00 0.00 C ATOM 2388 O ASP B 59 5.906 -12.965 11.237 1.00 0.00 O ATOM 2389 CB ASP B 59 4.374 -13.221 8.270 1.00 0.00 C ATOM 2390 CG ASP B 59 3.269 -13.312 9.311 1.00 0.00 C ATOM 2391 OD1 ASP B 59 2.831 -12.230 9.749 1.00 0.00 O ATOM 2392 OD2 ASP B 59 2.901 -14.453 9.665 1.00 0.00 O ATOM 0 H ASP B 59 6.316 -12.645 6.912 1.00 0.00 H new ATOM 0 HA ASP B 59 5.468 -11.595 9.212 1.00 0.00 H new ATOM 0 HB2 ASP B 59 4.041 -12.610 7.431 1.00 0.00 H new ATOM 0 HB3 ASP B 59 4.591 -14.213 7.875 1.00 0.00 H new ATOM 2397 N LEU B 60 6.565 -14.656 9.905 1.00 0.00 N ATOM 2398 CA LEU B 60 6.897 -15.533 11.022 1.00 0.00 C ATOM 2399 C LEU B 60 7.976 -14.917 11.917 1.00 0.00 C ATOM 2400 O LEU B 60 7.912 -15.041 13.138 1.00 0.00 O ATOM 2401 CB LEU B 60 7.232 -16.953 10.534 1.00 0.00 C ATOM 2402 CG LEU B 60 8.614 -17.124 9.877 1.00 0.00 C ATOM 2403 CD1 LEU B 60 9.674 -17.578 10.890 1.00 0.00 C ATOM 2404 CD2 LEU B 60 8.532 -18.174 8.763 1.00 0.00 C ATOM 0 H LEU B 60 6.756 -15.051 8.984 1.00 0.00 H new ATOM 0 HA LEU B 60 6.015 -15.635 11.655 1.00 0.00 H new ATOM 0 HB2 LEU B 60 7.167 -17.634 11.383 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.469 -17.261 9.819 1.00 0.00 H new ATOM 0 HG LEU B 60 8.905 -16.153 9.475 1.00 0.00 H new ATOM 0 HD11 LEU B 60 10.635 -17.687 10.387 1.00 0.00 H new ATOM 0 HD12 LEU B 60 9.762 -16.835 11.683 1.00 0.00 H new ATOM 0 HD13 LEU B 60 9.379 -18.535 11.321 1.00 0.00 H new ATOM 0 HD21 LEU B 60 9.512 -18.292 8.301 1.00 0.00 H new ATOM 0 HD22 LEU B 60 8.213 -19.127 9.184 1.00 0.00 H new ATOM 0 HD23 LEU B 60 7.813 -17.851 8.011 1.00 0.00 H new ATOM 2416 N ASP B 61 8.955 -14.234 11.313 1.00 0.00 N ATOM 2417 CA ASP B 61 10.035 -13.584 12.040 1.00 0.00 C ATOM 2418 C ASP B 61 9.511 -12.298 12.676 1.00 0.00 C ATOM 2419 O ASP B 61 9.726 -12.043 13.856 1.00 0.00 O ATOM 2420 CB ASP B 61 11.208 -13.302 11.097 1.00 0.00 C ATOM 2421 CG ASP B 61 12.370 -12.675 11.858 1.00 0.00 C ATOM 2422 OD1 ASP B 61 13.170 -13.456 12.418 1.00 0.00 O ATOM 2423 OD2 ASP B 61 12.433 -11.427 11.878 1.00 0.00 O ATOM 0 H ASP B 61 9.015 -14.120 10.301 1.00 0.00 H new ATOM 0 HA ASP B 61 10.397 -14.240 12.832 1.00 0.00 H new ATOM 0 HB2 ASP B 61 11.533 -14.229 10.625 1.00 0.00 H new ATOM 0 HB3 ASP B 61 10.887 -12.634 10.298 1.00 0.00 H new ATOM 2428 N ARG B 62 8.789 -11.494 11.896 1.00 0.00 N ATOM 2429 CA ARG B 62 8.171 -10.268 12.371 1.00 0.00 C ATOM 2430 C ARG B 62 7.364 -10.539 13.646 1.00 0.00 C ATOM 2431 O ARG B 62 7.428 -9.773 14.604 1.00 0.00 O ATOM 2432 CB ARG B 62 7.317 -9.668 11.245 1.00 0.00 C ATOM 2433 CG ARG B 62 6.879 -8.242 11.594 1.00 0.00 C ATOM 2434 CD ARG B 62 6.053 -7.586 10.482 1.00 0.00 C ATOM 2435 NE ARG B 62 6.850 -7.415 9.258 1.00 0.00 N ATOM 2436 CZ ARG B 62 6.880 -6.340 8.457 1.00 0.00 C ATOM 2437 NH1 ARG B 62 6.121 -5.264 8.689 1.00 0.00 N ATOM 2438 NH2 ARG B 62 7.680 -6.370 7.388 1.00 0.00 N ATOM 0 H ARG B 62 8.618 -11.682 10.908 1.00 0.00 H new ATOM 0 HA ARG B 62 8.934 -9.537 12.637 1.00 0.00 H new ATOM 0 HB2 ARG B 62 7.886 -9.661 10.315 1.00 0.00 H new ATOM 0 HB3 ARG B 62 6.439 -10.292 11.077 1.00 0.00 H new ATOM 0 HG2 ARG B 62 6.293 -8.261 12.513 1.00 0.00 H new ATOM 0 HG3 ARG B 62 7.762 -7.634 11.792 1.00 0.00 H new ATOM 0 HD2 ARG B 62 5.177 -8.198 10.266 1.00 0.00 H new ATOM 0 HD3 ARG B 62 5.688 -6.616 10.820 1.00 0.00 H new ATOM 0 HE ARG B 62 7.444 -8.199 8.989 1.00 0.00 H new ATOM 0 HH11 ARG B 62 5.496 -5.245 9.495 1.00 0.00 H new ATOM 0 HH12 ARG B 62 6.167 -4.462 8.060 1.00 0.00 H new ATOM 0 HH21 ARG B 62 8.248 -7.196 7.199 1.00 0.00 H new ATOM 0 HH22 ARG B 62 7.723 -5.567 6.761 1.00 0.00 H new ATOM 2452 N ASN B 63 6.636 -11.660 13.680 1.00 0.00 N ATOM 2453 CA ASN B 63 5.822 -12.023 14.836 1.00 0.00 C ATOM 2454 C ASN B 63 6.613 -12.718 15.949 1.00 0.00 C ATOM 2455 O ASN B 63 6.001 -13.335 16.818 1.00 0.00 O ATOM 2456 CB ASN B 63 4.594 -12.833 14.410 1.00 0.00 C ATOM 2457 CG ASN B 63 3.560 -11.954 13.721 1.00 0.00 C ATOM 2458 OD1 ASN B 63 2.549 -11.594 14.315 1.00 0.00 O ATOM 2459 ND2 ASN B 63 3.784 -11.624 12.456 1.00 0.00 N ATOM 0 H ASN B 63 6.597 -12.332 12.914 1.00 0.00 H new ATOM 0 HA ASN B 63 5.475 -11.087 15.274 1.00 0.00 H new ATOM 0 HB2 ASN B 63 4.900 -13.633 13.736 1.00 0.00 H new ATOM 0 HB3 ASN B 63 4.147 -13.306 15.284 1.00 0.00 H new ATOM 0 HD21 ASN B 63 3.106 -11.055 11.950 1.00 0.00 H new ATOM 0 HD22 ASN B 63 4.635 -11.939 11.990 1.00 0.00 H new ATOM 2517 N GLU B 67 2.721 -10.230 18.150 1.00 0.00 N ATOM 2518 CA GLU B 67 1.795 -9.424 17.376 1.00 0.00 C ATOM 2519 C GLU B 67 2.532 -8.226 16.783 1.00 0.00 C ATOM 2520 O GLU B 67 3.617 -7.876 17.247 1.00 0.00 O ATOM 2521 CB GLU B 67 0.610 -9.000 18.259 1.00 0.00 C ATOM 2522 CG GLU B 67 1.047 -8.286 19.551 1.00 0.00 C ATOM 2523 CD GLU B 67 -0.136 -7.845 20.410 1.00 0.00 C ATOM 2524 OE1 GLU B 67 -1.247 -8.372 20.184 1.00 0.00 O ATOM 2525 OE2 GLU B 67 0.097 -6.979 21.281 1.00 0.00 O ATOM 0 HA GLU B 67 1.392 -10.006 16.547 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -0.043 -8.339 17.688 1.00 0.00 H new ATOM 0 HB3 GLU B 67 0.024 -9.882 18.518 1.00 0.00 H new ATOM 0 HG2 GLU B 67 1.684 -8.953 20.132 1.00 0.00 H new ATOM 0 HG3 GLU B 67 1.649 -7.414 19.294 1.00 0.00 H new ATOM 2532 N VAL B 68 1.930 -7.600 15.771 1.00 0.00 N ATOM 2533 CA VAL B 68 2.385 -6.356 15.171 1.00 0.00 C ATOM 2534 C VAL B 68 1.280 -5.318 15.364 1.00 0.00 C ATOM 2535 O VAL B 68 0.103 -5.683 15.423 1.00 0.00 O ATOM 2536 CB VAL B 68 2.733 -6.561 13.683 1.00 0.00 C ATOM 2537 CG1 VAL B 68 3.647 -7.775 13.488 1.00 0.00 C ATOM 2538 CG2 VAL B 68 1.498 -6.698 12.790 1.00 0.00 C ATOM 0 H VAL B 68 1.082 -7.962 15.335 1.00 0.00 H new ATOM 0 HA VAL B 68 3.299 -6.007 15.652 1.00 0.00 H new ATOM 0 HB VAL B 68 3.259 -5.657 13.376 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.874 -7.893 12.428 1.00 0.00 H new ATOM 0 HG12 VAL B 68 4.573 -7.626 14.043 1.00 0.00 H new ATOM 0 HG13 VAL B 68 3.145 -8.671 13.853 1.00 0.00 H new ATOM 0 HG21 VAL B 68 1.811 -6.840 11.756 1.00 0.00 H new ATOM 0 HG22 VAL B 68 0.910 -7.557 13.112 1.00 0.00 H new ATOM 0 HG23 VAL B 68 0.893 -5.795 12.865 1.00 0.00 H new ATOM 2548 N ASN B 69 1.655 -4.042 15.475 1.00 0.00 N ATOM 2549 CA ASN B 69 0.728 -2.919 15.584 1.00 0.00 C ATOM 2550 C ASN B 69 0.295 -2.406 14.212 1.00 0.00 C ATOM 2551 O ASN B 69 0.815 -2.841 13.185 1.00 0.00 O ATOM 2552 CB ASN B 69 1.327 -1.803 16.454 1.00 0.00 C ATOM 2553 CG ASN B 69 2.436 -0.989 15.780 1.00 0.00 C ATOM 2554 OD1 ASN B 69 2.306 -0.533 14.646 1.00 0.00 O ATOM 2555 ND2 ASN B 69 3.544 -0.771 16.480 1.00 0.00 N ATOM 0 H ASN B 69 2.634 -3.757 15.492 1.00 0.00 H new ATOM 0 HA ASN B 69 -0.175 -3.276 16.079 1.00 0.00 H new ATOM 0 HB2 ASN B 69 0.527 -1.125 16.752 1.00 0.00 H new ATOM 0 HB3 ASN B 69 1.725 -2.247 17.367 1.00 0.00 H new ATOM 0 HD21 ASN B 69 4.301 -0.219 16.077 1.00 0.00 H new ATOM 0 HD22 ASN B 69 3.637 -1.156 17.420 1.00 0.00 H new ATOM 2562 N PHE B 70 -0.640 -1.451 14.209 1.00 0.00 N ATOM 2563 CA PHE B 70 -1.142 -0.816 13.000 1.00 0.00 C ATOM 2564 C PHE B 70 -0.028 -0.394 12.033 1.00 0.00 C ATOM 2565 O PHE B 70 0.018 -0.903 10.916 1.00 0.00 O ATOM 2566 CB PHE B 70 -2.076 0.346 13.360 1.00 0.00 C ATOM 2567 CG PHE B 70 -2.686 1.041 12.157 1.00 0.00 C ATOM 2568 CD1 PHE B 70 -3.494 0.316 11.260 1.00 0.00 C ATOM 2569 CD2 PHE B 70 -2.455 2.411 11.933 1.00 0.00 C ATOM 2570 CE1 PHE B 70 -4.063 0.953 10.145 1.00 0.00 C ATOM 2571 CE2 PHE B 70 -3.016 3.045 10.810 1.00 0.00 C ATOM 2572 CZ PHE B 70 -3.812 2.315 9.910 1.00 0.00 C ATOM 0 H PHE B 70 -1.072 -1.096 15.062 1.00 0.00 H new ATOM 0 HA PHE B 70 -1.720 -1.562 12.455 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -2.878 -0.029 13.996 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -1.520 1.078 13.947 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -3.677 -0.735 11.430 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -1.847 2.976 12.624 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -4.694 0.396 9.468 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -2.835 4.096 10.638 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.229 2.800 9.040 1.00 0.00 H new ATOM 2582 N GLN B 71 0.887 0.509 12.412 1.00 0.00 N ATOM 2583 CA GLN B 71 1.907 0.942 11.456 1.00 0.00 C ATOM 2584 C GLN B 71 2.813 -0.222 11.054 1.00 0.00 C ATOM 2585 O GLN B 71 3.267 -0.261 9.917 1.00 0.00 O ATOM 2586 CB GLN B 71 2.707 2.174 11.909 1.00 0.00 C ATOM 2587 CG GLN B 71 3.811 2.603 10.906 1.00 0.00 C ATOM 2588 CD GLN B 71 3.368 2.788 9.450 1.00 0.00 C ATOM 2589 OE1 GLN B 71 4.018 2.312 8.520 1.00 0.00 O ATOM 2590 NE2 GLN B 71 2.267 3.496 9.224 1.00 0.00 N ATOM 0 H GLN B 71 0.941 0.938 13.336 1.00 0.00 H new ATOM 0 HA GLN B 71 1.368 1.273 10.569 1.00 0.00 H new ATOM 0 HB2 GLN B 71 2.021 3.007 12.059 1.00 0.00 H new ATOM 0 HB3 GLN B 71 3.167 1.963 12.874 1.00 0.00 H new ATOM 0 HG2 GLN B 71 4.244 3.541 11.254 1.00 0.00 H new ATOM 0 HG3 GLN B 71 4.605 1.856 10.930 1.00 0.00 H new ATOM 0 HE21 GLN B 71 1.740 3.883 10.007 1.00 0.00 H new ATOM 0 HE22 GLN B 71 1.948 3.652 8.268 1.00 0.00 H new ATOM 2599 N GLU B 72 3.079 -1.183 11.938 1.00 0.00 N ATOM 2600 CA GLU B 72 3.852 -2.358 11.549 1.00 0.00 C ATOM 2601 C GLU B 72 3.120 -3.162 10.460 1.00 0.00 C ATOM 2602 O GLU B 72 3.739 -3.589 9.485 1.00 0.00 O ATOM 2603 CB GLU B 72 4.187 -3.202 12.777 1.00 0.00 C ATOM 2604 CG GLU B 72 5.144 -2.456 13.718 1.00 0.00 C ATOM 2605 CD GLU B 72 5.408 -3.246 14.995 1.00 0.00 C ATOM 2606 OE1 GLU B 72 4.405 -3.643 15.629 1.00 0.00 O ATOM 2607 OE2 GLU B 72 6.600 -3.438 15.314 1.00 0.00 O ATOM 0 H GLU B 72 2.776 -1.172 12.912 1.00 0.00 H new ATOM 0 HA GLU B 72 4.797 -2.034 11.113 1.00 0.00 H new ATOM 0 HB2 GLU B 72 3.270 -3.453 13.310 1.00 0.00 H new ATOM 0 HB3 GLU B 72 4.641 -4.142 12.463 1.00 0.00 H new ATOM 0 HG2 GLU B 72 6.087 -2.269 13.204 1.00 0.00 H new ATOM 0 HG3 GLU B 72 4.721 -1.484 13.972 1.00 0.00 H new ATOM 2614 N TYR B 73 1.801 -3.328 10.583 1.00 0.00 N ATOM 2615 CA TYR B 73 0.972 -3.882 9.515 1.00 0.00 C ATOM 2616 C TYR B 73 1.113 -3.026 8.246 1.00 0.00 C ATOM 2617 O TYR B 73 1.406 -3.539 7.167 1.00 0.00 O ATOM 2618 CB TYR B 73 -0.487 -4.016 9.987 1.00 0.00 C ATOM 2619 CG TYR B 73 -1.556 -3.756 8.936 1.00 0.00 C ATOM 2620 CD1 TYR B 73 -1.909 -4.755 8.010 1.00 0.00 C ATOM 2621 CD2 TYR B 73 -2.240 -2.526 8.922 1.00 0.00 C ATOM 2622 CE1 TYR B 73 -2.967 -4.536 7.108 1.00 0.00 C ATOM 2623 CE2 TYR B 73 -3.266 -2.293 7.992 1.00 0.00 C ATOM 2624 CZ TYR B 73 -3.656 -3.311 7.108 1.00 0.00 C ATOM 2625 OH TYR B 73 -4.720 -3.124 6.275 1.00 0.00 O ATOM 0 H TYR B 73 1.280 -3.082 11.425 1.00 0.00 H new ATOM 0 HA TYR B 73 1.314 -4.886 9.264 1.00 0.00 H new ATOM 0 HB2 TYR B 73 -0.630 -5.023 10.380 1.00 0.00 H new ATOM 0 HB3 TYR B 73 -0.645 -3.325 10.815 1.00 0.00 H new ATOM 0 HD1 TYR B 73 -1.368 -5.690 7.991 1.00 0.00 H new ATOM 0 HD2 TYR B 73 -1.974 -1.756 9.631 1.00 0.00 H new ATOM 0 HE1 TYR B 73 -3.251 -5.312 6.413 1.00 0.00 H new ATOM 0 HE2 TYR B 73 -3.755 -1.331 7.957 1.00 0.00 H new ATOM 0 HH TYR B 73 -5.285 -2.403 6.623 1.00 0.00 H new ATOM 2635 N ILE B 74 0.949 -1.709 8.373 1.00 0.00 N ATOM 2636 CA ILE B 74 1.128 -0.786 7.259 1.00 0.00 C ATOM 2637 C ILE B 74 2.562 -0.863 6.702 1.00 0.00 C ATOM 2638 O ILE B 74 2.780 -0.562 5.533 1.00 0.00 O ATOM 2639 CB ILE B 74 0.749 0.645 7.676 1.00 0.00 C ATOM 2640 CG1 ILE B 74 -0.704 0.821 8.157 1.00 0.00 C ATOM 2641 CG2 ILE B 74 1.017 1.633 6.547 1.00 0.00 C ATOM 2642 CD1 ILE B 74 -1.753 0.716 7.045 1.00 0.00 C ATOM 0 H ILE B 74 0.689 -1.256 9.249 1.00 0.00 H new ATOM 0 HA ILE B 74 0.456 -1.082 6.453 1.00 0.00 H new ATOM 0 HB ILE B 74 1.388 0.851 8.535 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -0.918 0.067 8.914 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -0.799 1.794 8.640 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.740 2.637 6.869 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.076 1.613 6.290 1.00 0.00 H new ATOM 0 HG23 ILE B 74 0.427 1.356 5.674 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -2.748 0.852 7.469 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -1.569 1.488 6.297 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -1.689 -0.266 6.576 1.00 0.00 H new ATOM 2654 N THR B 75 3.549 -1.276 7.499 1.00 0.00 N ATOM 2655 CA THR B 75 4.910 -1.519 7.045 1.00 0.00 C ATOM 2656 C THR B 75 4.997 -2.859 6.321 1.00 0.00 C ATOM 2657 O THR B 75 5.765 -2.987 5.376 1.00 0.00 O ATOM 2658 CB THR B 75 5.903 -1.384 8.208 1.00 0.00 C ATOM 2659 OG1 THR B 75 5.764 -0.109 8.800 1.00 0.00 O ATOM 2660 CG2 THR B 75 7.357 -1.517 7.743 1.00 0.00 C ATOM 0 H THR B 75 3.418 -1.453 8.495 1.00 0.00 H new ATOM 0 HA THR B 75 5.193 -0.757 6.318 1.00 0.00 H new ATOM 0 HB THR B 75 5.679 -2.184 8.914 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.958 -0.093 9.357 1.00 0.00 H new ATOM 0 HG21 THR B 75 8.024 -1.415 8.599 1.00 0.00 H new ATOM 0 HG22 THR B 75 7.504 -2.494 7.283 1.00 0.00 H new ATOM 0 HG23 THR B 75 7.579 -0.737 7.015 1.00 0.00 H new ATOM 2668 N PHE B 76 4.209 -3.859 6.718 1.00 0.00 N ATOM 2669 CA PHE B 76 4.082 -5.095 5.953 1.00 0.00 C ATOM 2670 C PHE B 76 3.584 -4.750 4.541 1.00 0.00 C ATOM 2671 O PHE B 76 4.240 -5.055 3.543 1.00 0.00 O ATOM 2672 CB PHE B 76 3.156 -6.072 6.698 1.00 0.00 C ATOM 2673 CG PHE B 76 3.226 -7.521 6.259 1.00 0.00 C ATOM 2674 CD1 PHE B 76 4.262 -8.342 6.744 1.00 0.00 C ATOM 2675 CD2 PHE B 76 2.160 -8.097 5.542 1.00 0.00 C ATOM 2676 CE1 PHE B 76 4.235 -9.727 6.514 1.00 0.00 C ATOM 2677 CE2 PHE B 76 2.120 -9.487 5.334 1.00 0.00 C ATOM 2678 CZ PHE B 76 3.156 -10.302 5.823 1.00 0.00 C ATOM 0 H PHE B 76 3.648 -3.834 7.569 1.00 0.00 H new ATOM 0 HA PHE B 76 5.045 -5.596 5.850 1.00 0.00 H new ATOM 0 HB2 PHE B 76 3.390 -6.024 7.761 1.00 0.00 H new ATOM 0 HB3 PHE B 76 2.128 -5.727 6.582 1.00 0.00 H new ATOM 0 HD1 PHE B 76 5.081 -7.905 7.295 1.00 0.00 H new ATOM 0 HD2 PHE B 76 1.372 -7.470 5.151 1.00 0.00 H new ATOM 0 HE1 PHE B 76 5.043 -10.350 6.868 1.00 0.00 H new ATOM 0 HE2 PHE B 76 1.293 -9.929 4.798 1.00 0.00 H new ATOM 0 HZ PHE B 76 3.122 -11.370 5.667 1.00 0.00 H new ATOM 2688 N LEU B 77 2.449 -4.048 4.462 1.00 0.00 N ATOM 2689 CA LEU B 77 1.879 -3.614 3.187 1.00 0.00 C ATOM 2690 C LEU B 77 2.811 -2.644 2.450 1.00 0.00 C ATOM 2691 O LEU B 77 2.995 -2.729 1.239 1.00 0.00 O ATOM 2692 CB LEU B 77 0.512 -2.954 3.407 1.00 0.00 C ATOM 2693 CG LEU B 77 -0.541 -3.851 4.078 1.00 0.00 C ATOM 2694 CD1 LEU B 77 -1.878 -3.101 4.075 1.00 0.00 C ATOM 2695 CD2 LEU B 77 -0.709 -5.197 3.363 1.00 0.00 C ATOM 0 H LEU B 77 1.904 -3.767 5.277 1.00 0.00 H new ATOM 0 HA LEU B 77 1.756 -4.502 2.567 1.00 0.00 H new ATOM 0 HB2 LEU B 77 0.650 -2.062 4.018 1.00 0.00 H new ATOM 0 HB3 LEU B 77 0.125 -2.624 2.443 1.00 0.00 H new ATOM 0 HG LEU B 77 -0.208 -4.070 5.093 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -2.643 -3.718 4.547 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -1.773 -2.168 4.628 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -2.171 -2.883 3.048 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -1.464 -5.791 3.878 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -1.022 -5.025 2.333 1.00 0.00 H new ATOM 0 HD23 LEU B 77 0.240 -5.733 3.369 1.00 0.00 H new ATOM 2707 N GLY B 78 3.392 -1.696 3.176 1.00 0.00 N ATOM 2708 CA GLY B 78 4.258 -0.675 2.622 1.00 0.00 C ATOM 2709 C GLY B 78 5.514 -1.300 2.025 1.00 0.00 C ATOM 2710 O GLY B 78 5.919 -0.951 0.920 1.00 0.00 O ATOM 0 H GLY B 78 3.269 -1.618 4.186 1.00 0.00 H new ATOM 0 HA2 GLY B 78 3.724 -0.115 1.854 1.00 0.00 H new ATOM 0 HA3 GLY B 78 4.534 0.036 3.400 1.00 0.00 H new ATOM 2714 N ALA B 79 6.113 -2.256 2.732 1.00 0.00 N ATOM 2715 CA ALA B 79 7.243 -3.022 2.236 1.00 0.00 C ATOM 2716 C ALA B 79 6.827 -3.835 1.012 1.00 0.00 C ATOM 2717 O ALA B 79 7.530 -3.819 0.005 1.00 0.00 O ATOM 2718 CB ALA B 79 7.790 -3.914 3.351 1.00 0.00 C ATOM 0 H ALA B 79 5.821 -2.519 3.673 1.00 0.00 H new ATOM 0 HA ALA B 79 8.040 -2.345 1.926 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.638 -4.487 2.976 1.00 0.00 H new ATOM 0 HB2 ALA B 79 8.113 -3.294 4.187 1.00 0.00 H new ATOM 0 HB3 ALA B 79 7.010 -4.597 3.686 1.00 0.00 H new ATOM 2724 N LEU B 80 5.683 -4.530 1.075 1.00 0.00 N ATOM 2725 CA LEU B 80 5.149 -5.265 -0.070 1.00 0.00 C ATOM 2726 C LEU B 80 5.128 -4.361 -1.309 1.00 0.00 C ATOM 2727 O LEU B 80 5.716 -4.679 -2.349 1.00 0.00 O ATOM 2728 CB LEU B 80 3.738 -5.781 0.263 1.00 0.00 C ATOM 2729 CG LEU B 80 3.082 -6.563 -0.881 1.00 0.00 C ATOM 2730 CD1 LEU B 80 3.609 -7.993 -0.890 1.00 0.00 C ATOM 2731 CD2 LEU B 80 1.565 -6.590 -0.693 1.00 0.00 C ATOM 0 H LEU B 80 5.109 -4.596 1.916 1.00 0.00 H new ATOM 0 HA LEU B 80 5.788 -6.121 -0.287 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.793 -6.421 1.144 1.00 0.00 H new ATOM 0 HB3 LEU B 80 3.103 -4.934 0.523 1.00 0.00 H new ATOM 0 HG LEU B 80 3.321 -6.075 -1.826 1.00 0.00 H new ATOM 0 HD11 LEU B 80 3.142 -8.548 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU B 80 4.690 -7.982 -1.032 1.00 0.00 H new ATOM 0 HD13 LEU B 80 3.373 -8.474 0.059 1.00 0.00 H new ATOM 0 HD21 LEU B 80 1.107 -7.147 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU B 80 1.324 -7.072 0.255 1.00 0.00 H new ATOM 0 HD23 LEU B 80 1.181 -5.570 -0.689 1.00 0.00 H new ATOM 2743 N ALA B 81 4.448 -3.221 -1.155 1.00 0.00 N ATOM 2744 CA ALA B 81 4.336 -2.191 -2.167 1.00 0.00 C ATOM 2745 C ALA B 81 5.717 -1.800 -2.682 1.00 0.00 C ATOM 2746 O ALA B 81 5.968 -1.914 -3.880 1.00 0.00 O ATOM 2747 CB ALA B 81 3.607 -0.977 -1.587 1.00 0.00 C ATOM 0 H ALA B 81 3.950 -2.992 -0.295 1.00 0.00 H new ATOM 0 HA ALA B 81 3.760 -2.576 -3.008 1.00 0.00 H new ATOM 0 HB1 ALA B 81 3.524 -0.203 -2.350 1.00 0.00 H new ATOM 0 HB2 ALA B 81 2.610 -1.273 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA B 81 4.167 -0.589 -0.736 1.00 0.00 H new ATOM 2753 N MET B 82 6.588 -1.342 -1.780 1.00 0.00 N ATOM 2754 CA MET B 82 7.932 -0.877 -2.083 1.00 0.00 C ATOM 2755 C MET B 82 8.690 -1.904 -2.919 1.00 0.00 C ATOM 2756 O MET B 82 9.307 -1.545 -3.916 1.00 0.00 O ATOM 2757 CB MET B 82 8.666 -0.564 -0.773 1.00 0.00 C ATOM 2758 CG MET B 82 10.013 0.127 -1.005 1.00 0.00 C ATOM 2759 SD MET B 82 11.018 0.400 0.479 1.00 0.00 S ATOM 2760 CE MET B 82 9.931 1.463 1.456 1.00 0.00 C ATOM 0 H MET B 82 6.364 -1.285 -0.787 1.00 0.00 H new ATOM 0 HA MET B 82 7.873 0.035 -2.678 1.00 0.00 H new ATOM 0 HB2 MET B 82 8.037 0.073 -0.151 1.00 0.00 H new ATOM 0 HB3 MET B 82 8.827 -1.490 -0.220 1.00 0.00 H new ATOM 0 HG2 MET B 82 10.592 -0.471 -1.709 1.00 0.00 H new ATOM 0 HG3 MET B 82 9.830 1.091 -1.481 1.00 0.00 H new ATOM 0 HE1 MET B 82 10.475 1.842 2.321 1.00 0.00 H new ATOM 0 HE2 MET B 82 9.594 2.299 0.844 1.00 0.00 H new ATOM 0 HE3 MET B 82 9.068 0.889 1.793 1.00 0.00 H new ATOM 2770 N ILE B 83 8.664 -3.174 -2.501 1.00 0.00 N ATOM 2771 CA ILE B 83 9.380 -4.218 -3.209 1.00 0.00 C ATOM 2772 C ILE B 83 8.793 -4.376 -4.615 1.00 0.00 C ATOM 2773 O ILE B 83 9.506 -4.131 -5.585 1.00 0.00 O ATOM 2774 CB ILE B 83 9.392 -5.542 -2.424 1.00 0.00 C ATOM 2775 CG1 ILE B 83 10.120 -5.433 -1.073 1.00 0.00 C ATOM 2776 CG2 ILE B 83 10.076 -6.638 -3.260 1.00 0.00 C ATOM 2777 CD1 ILE B 83 9.773 -6.617 -0.158 1.00 0.00 C ATOM 0 H ILE B 83 8.154 -3.494 -1.678 1.00 0.00 H new ATOM 0 HA ILE B 83 10.425 -3.925 -3.306 1.00 0.00 H new ATOM 0 HB ILE B 83 8.350 -5.792 -2.223 1.00 0.00 H new ATOM 0 HG12 ILE B 83 11.197 -5.401 -1.239 1.00 0.00 H new ATOM 0 HG13 ILE B 83 9.845 -4.499 -0.583 1.00 0.00 H new ATOM 0 HG21 ILE B 83 10.082 -7.573 -2.700 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.530 -6.778 -4.193 1.00 0.00 H new ATOM 0 HG23 ILE B 83 11.101 -6.341 -3.480 1.00 0.00 H new ATOM 0 HD11 ILE B 83 10.302 -6.512 0.789 1.00 0.00 H new ATOM 0 HD12 ILE B 83 8.699 -6.632 0.026 1.00 0.00 H new ATOM 0 HD13 ILE B 83 10.071 -7.548 -0.639 1.00 0.00 H new ATOM 2789 N TYR B 84 7.533 -4.826 -4.757 1.00 0.00 N ATOM 2790 CA TYR B 84 7.079 -5.183 -6.104 1.00 0.00 C ATOM 2791 C TYR B 84 6.902 -3.960 -7.013 1.00 0.00 C ATOM 2792 O TYR B 84 7.169 -4.046 -8.211 1.00 0.00 O ATOM 2793 CB TYR B 84 5.968 -6.254 -6.163 1.00 0.00 C ATOM 2794 CG TYR B 84 4.642 -6.064 -5.443 1.00 0.00 C ATOM 2795 CD1 TYR B 84 3.849 -4.920 -5.658 1.00 0.00 C ATOM 2796 CD2 TYR B 84 4.041 -7.202 -4.872 1.00 0.00 C ATOM 2797 CE1 TYR B 84 2.514 -4.885 -5.207 1.00 0.00 C ATOM 2798 CE2 TYR B 84 2.726 -7.161 -4.388 1.00 0.00 C ATOM 2799 CZ TYR B 84 1.955 -6.000 -4.559 1.00 0.00 C ATOM 2800 OH TYR B 84 0.638 -6.014 -4.203 1.00 0.00 O ATOM 0 H TYR B 84 6.853 -4.945 -4.006 1.00 0.00 H new ATOM 0 HA TYR B 84 7.906 -5.730 -6.558 1.00 0.00 H new ATOM 0 HB2 TYR B 84 5.737 -6.413 -7.216 1.00 0.00 H new ATOM 0 HB3 TYR B 84 6.402 -7.181 -5.789 1.00 0.00 H new ATOM 0 HD1 TYR B 84 4.266 -4.066 -6.171 1.00 0.00 H new ATOM 0 HD2 TYR B 84 4.603 -8.122 -4.806 1.00 0.00 H new ATOM 0 HE1 TYR B 84 1.918 -3.997 -5.360 1.00 0.00 H new ATOM 0 HE2 TYR B 84 2.307 -8.020 -3.885 1.00 0.00 H new ATOM 0 HH TYR B 84 0.126 -5.453 -4.822 1.00 0.00 H new ATOM 2810 N ASN B 85 6.537 -2.795 -6.467 1.00 0.00 N ATOM 2811 CA ASN B 85 6.561 -1.554 -7.238 1.00 0.00 C ATOM 2812 C ASN B 85 7.994 -1.035 -7.269 1.00 0.00 C ATOM 2813 O ASN B 85 8.294 -0.015 -6.648 1.00 0.00 O ATOM 2814 CB ASN B 85 5.613 -0.481 -6.682 1.00 0.00 C ATOM 2815 CG ASN B 85 4.158 -0.922 -6.676 1.00 0.00 C ATOM 2816 OD1 ASN B 85 3.404 -0.641 -7.600 1.00 0.00 O ATOM 2817 ND2 ASN B 85 3.749 -1.598 -5.612 1.00 0.00 N ATOM 0 H ASN B 85 6.224 -2.689 -5.502 1.00 0.00 H new ATOM 0 HA ASN B 85 6.206 -1.774 -8.245 1.00 0.00 H new ATOM 0 HB2 ASN B 85 5.915 -0.228 -5.666 1.00 0.00 H new ATOM 0 HB3 ASN B 85 5.710 0.426 -7.278 1.00 0.00 H new ATOM 0 HD21 ASN B 85 2.778 -1.902 -5.543 1.00 0.00 H new ATOM 0 HD22 ASN B 85 4.405 -1.814 -4.862 1.00 0.00 H new ATOM 2824 N GLU B 86 8.854 -1.726 -8.028 1.00 0.00 N ATOM 2825 CA GLU B 86 10.264 -1.397 -8.241 1.00 0.00 C ATOM 2826 C GLU B 86 10.502 0.113 -8.297 1.00 0.00 C ATOM 2827 O GLU B 86 11.425 0.620 -7.662 1.00 0.00 O ATOM 2828 CB GLU B 86 10.755 -2.039 -9.547 1.00 0.00 C ATOM 2829 CG GLU B 86 10.775 -3.573 -9.498 1.00 0.00 C ATOM 2830 CD GLU B 86 11.776 -4.117 -8.481 1.00 0.00 C ATOM 2831 OE1 GLU B 86 12.911 -3.596 -8.460 1.00 0.00 O ATOM 2832 OE2 GLU B 86 11.395 -5.048 -7.740 1.00 0.00 O ATOM 0 H GLU B 86 8.571 -2.567 -8.532 1.00 0.00 H new ATOM 0 HA GLU B 86 10.823 -1.791 -7.392 1.00 0.00 H new ATOM 0 HB2 GLU B 86 10.112 -1.717 -10.366 1.00 0.00 H new ATOM 0 HB3 GLU B 86 11.759 -1.676 -9.767 1.00 0.00 H new ATOM 0 HG2 GLU B 86 9.778 -3.938 -9.251 1.00 0.00 H new ATOM 0 HG3 GLU B 86 11.020 -3.961 -10.487 1.00 0.00 H new ATOM 2839 N ALA B 87 9.641 0.813 -9.042 1.00 0.00 N ATOM 2840 CA ALA B 87 9.599 2.263 -9.165 1.00 0.00 C ATOM 2841 C ALA B 87 9.948 2.996 -7.863 1.00 0.00 C ATOM 2842 O ALA B 87 10.757 3.917 -7.877 1.00 0.00 O ATOM 2843 CB ALA B 87 8.207 2.677 -9.647 1.00 0.00 C ATOM 0 H ALA B 87 8.921 0.356 -9.601 1.00 0.00 H new ATOM 0 HA ALA B 87 10.362 2.552 -9.887 1.00 0.00 H new ATOM 0 HB1 ALA B 87 8.163 3.762 -9.743 1.00 0.00 H new ATOM 0 HB2 ALA B 87 8.006 2.218 -10.615 1.00 0.00 H new ATOM 0 HB3 ALA B 87 7.459 2.346 -8.926 1.00 0.00 H new ATOM 2849 N LEU B 88 9.335 2.602 -6.740 1.00 0.00 N ATOM 2850 CA LEU B 88 9.523 3.269 -5.456 1.00 0.00 C ATOM 2851 C LEU B 88 10.958 3.140 -4.936 1.00 0.00 C ATOM 2852 O LEU B 88 11.403 3.989 -4.168 1.00 0.00 O ATOM 2853 CB LEU B 88 8.534 2.712 -4.420 1.00 0.00 C ATOM 2854 CG LEU B 88 7.065 3.074 -4.704 1.00 0.00 C ATOM 2855 CD1 LEU B 88 6.166 2.317 -3.721 1.00 0.00 C ATOM 2856 CD2 LEU B 88 6.804 4.579 -4.546 1.00 0.00 C ATOM 0 H LEU B 88 8.694 1.809 -6.701 1.00 0.00 H new ATOM 0 HA LEU B 88 9.330 4.330 -5.613 1.00 0.00 H new ATOM 0 HB2 LEU B 88 8.631 1.627 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU B 88 8.806 3.087 -3.433 1.00 0.00 H new ATOM 0 HG LEU B 88 6.846 2.796 -5.735 1.00 0.00 H new ATOM 0 HD11 LEU B 88 5.123 2.567 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU B 88 6.311 1.244 -3.847 1.00 0.00 H new ATOM 0 HD13 LEU B 88 6.423 2.600 -2.700 1.00 0.00 H new ATOM 0 HD21 LEU B 88 5.755 4.790 -4.756 1.00 0.00 H new ATOM 0 HD22 LEU B 88 7.039 4.884 -3.526 1.00 0.00 H new ATOM 0 HD23 LEU B 88 7.432 5.132 -5.244 1.00 0.00 H new