USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 844 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 41 SER OG : rot 150:sc= -4.27! USER MOD Set 1.2: A 69 THR OG1 : rot -57:sc= -0.26! USER MOD Single : A 17 ASN : amide:sc= -4.24! C(o=-4.2!,f=-8.1!) USER MOD Single : A 22 GLN : amide:sc= -0.322 K(o=-0.32,f=-2.8!) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0478 F(o=-1.2,f=-0.048) USER MOD Single : A 29 MET CE :methyl -171:sc= -1.87 (180deg=-2.37) USER MOD Single : A 32 TYR OH : rot 176:sc= -1.64 USER MOD Single : A 33 ASN :FLIP amide:sc= -1.79! C(o=-4!,f=-1.8!) USER MOD Single : A 36 SER OG : rot 45:sc= 0.409 USER MOD Single : A 37 ASN : amide:sc= -0.518 X(o=-0.52,f=-0.15) USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0361) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -80:sc= -2.29! USER MOD Single : A 49 SER OG : rot 180:sc= -3.81! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc=-0.00325 K(o=-0.0032,f=-0.92) USER MOD Single : A 56 SER OG : rot -97:sc= 0.285 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -56:sc= 0.331 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 165:sc= -2.03! USER MOD Single : A 75 SER OG : rot 71:sc= 0.462 USER MOD Single : A 79 GLN :FLIP amide:sc= -0.488 F(o=-1.2,f=-0.49) USER MOD Single : A 80 SER OG : rot 180:sc= 0.00592 USER MOD Single : A 84 HIS : no HD1:sc= -2.65! C(o=-2.7!,f=-3.2!) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -140:sc= 0.262 (180deg=-1.32!) USER MOD Single : A 92 TYR OH : rot 42:sc= 0.0225 USER MOD Single : A 93 THR OG1 : rot 77:sc= -0.176 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -2.59! C(o=-2.6!,f=-7.6!) USER MOD Single : A 107 GLN : amide:sc= -1.26 K(o=-1.3,f=-2!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot -97:sc= -4.05! USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc=-0.000508 K(o=-0.00051,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -17.325 -3.569 17.482 1.00 0.00 N ATOM 2 CA GLY A 9 -15.937 -4.209 17.494 1.00 0.00 C ATOM 3 C GLY A 9 -14.729 -3.338 17.574 1.00 0.00 C ATOM 4 O GLY A 9 -13.624 -3.810 17.750 1.00 0.00 O ATOM 0 HA2 GLY A 9 -15.901 -4.896 18.339 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -15.847 -4.811 16.590 1.00 0.00 H new ATOM 7 N ALA A 10 -14.905 -2.051 17.447 1.00 0.00 N ATOM 8 CA ALA A 10 -13.738 -1.129 17.519 1.00 0.00 C ATOM 9 C ALA A 10 -12.701 -1.534 16.469 1.00 0.00 C ATOM 10 O ALA A 10 -12.804 -2.586 15.868 1.00 0.00 O ATOM 11 CB ALA A 10 -13.107 -1.205 18.911 1.00 0.00 C ATOM 0 H ALA A 10 -15.807 -1.599 17.297 1.00 0.00 H new ATOM 0 HA ALA A 10 -14.072 -0.109 17.328 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.253 -0.529 18.961 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.843 -0.915 19.661 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.774 -2.225 19.104 1.00 0.00 H new ATOM 17 N PRO A 11 -11.731 -0.677 16.280 1.00 0.00 N ATOM 18 CA PRO A 11 -10.626 -0.887 15.300 1.00 0.00 C ATOM 19 C PRO A 11 -9.535 -1.778 15.902 1.00 0.00 C ATOM 20 O PRO A 11 -9.108 -1.584 17.023 1.00 0.00 O ATOM 21 CB PRO A 11 -10.104 0.525 15.068 1.00 0.00 C ATOM 22 CG PRO A 11 -10.474 1.347 16.299 1.00 0.00 C ATOM 23 CD PRO A 11 -11.608 0.615 17.026 1.00 0.00 C ATOM 0 HA PRO A 11 -10.947 -1.383 14.384 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.024 0.517 14.920 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.546 0.956 14.170 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.611 1.462 16.955 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.790 2.349 16.009 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -11.369 0.450 18.077 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.537 1.185 16.996 1.00 0.00 H new ATOM 31 N VAL A 12 -9.079 -2.749 15.162 1.00 0.00 N ATOM 32 CA VAL A 12 -8.014 -3.652 15.685 1.00 0.00 C ATOM 33 C VAL A 12 -7.015 -3.941 14.563 1.00 0.00 C ATOM 34 O VAL A 12 -7.326 -3.774 13.402 1.00 0.00 O ATOM 35 CB VAL A 12 -8.641 -4.961 16.166 1.00 0.00 C ATOM 36 CG1 VAL A 12 -9.377 -4.719 17.486 1.00 0.00 C ATOM 37 CG2 VAL A 12 -9.630 -5.472 15.117 1.00 0.00 C ATOM 0 H VAL A 12 -9.398 -2.958 14.216 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.502 -3.175 16.521 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.858 -5.704 16.317 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.824 -5.652 17.830 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.672 -4.357 18.235 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.160 -3.975 17.335 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.076 -6.405 15.461 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.414 -4.730 14.964 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.106 -5.646 14.177 1.00 0.00 H new ATOM 47 N PRO A 13 -5.844 -4.368 14.945 1.00 0.00 N ATOM 48 CA PRO A 13 -4.746 -4.698 13.988 1.00 0.00 C ATOM 49 C PRO A 13 -5.003 -6.058 13.333 1.00 0.00 C ATOM 50 O PRO A 13 -4.676 -7.091 13.879 1.00 0.00 O ATOM 51 CB PRO A 13 -3.511 -4.740 14.879 1.00 0.00 C ATOM 52 CG PRO A 13 -3.995 -5.025 16.295 1.00 0.00 C ATOM 53 CD PRO A 13 -5.460 -4.584 16.376 1.00 0.00 C ATOM 0 HA PRO A 13 -4.651 -3.985 13.169 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.820 -5.514 14.544 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -2.973 -3.793 14.838 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.900 -6.086 16.527 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.391 -4.484 17.023 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.082 -5.345 16.847 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.572 -3.672 16.963 1.00 0.00 H new ATOM 61 N VAL A 14 -5.603 -6.056 12.168 1.00 0.00 N ATOM 62 CA VAL A 14 -5.905 -7.341 11.463 1.00 0.00 C ATOM 63 C VAL A 14 -4.773 -8.333 11.676 1.00 0.00 C ATOM 64 O VAL A 14 -3.608 -8.023 11.518 1.00 0.00 O ATOM 65 CB VAL A 14 -6.078 -7.082 9.960 1.00 0.00 C ATOM 66 CG1 VAL A 14 -4.811 -6.426 9.412 1.00 0.00 C ATOM 67 CG2 VAL A 14 -6.323 -8.383 9.178 1.00 0.00 C ATOM 0 H VAL A 14 -5.898 -5.215 11.672 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.827 -7.756 11.870 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.945 -6.433 9.836 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.930 -6.240 8.345 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.638 -5.481 9.928 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.960 -7.088 9.573 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.440 -8.154 8.119 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.475 -9.054 9.313 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.228 -8.864 9.547 1.00 0.00 H new ATOM 77 N ASP A 15 -5.121 -9.519 12.050 1.00 0.00 N ATOM 78 CA ASP A 15 -4.094 -10.565 12.303 1.00 0.00 C ATOM 79 C ASP A 15 -4.457 -11.846 11.546 1.00 0.00 C ATOM 80 O ASP A 15 -4.982 -12.782 12.117 1.00 0.00 O ATOM 81 CB ASP A 15 -4.067 -10.857 13.812 1.00 0.00 C ATOM 82 CG ASP A 15 -5.470 -11.256 14.269 1.00 0.00 C ATOM 83 OD1 ASP A 15 -6.300 -10.374 14.410 1.00 0.00 O ATOM 84 OD2 ASP A 15 -5.692 -12.439 14.468 1.00 0.00 O ATOM 0 H ASP A 15 -6.085 -9.819 12.195 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.118 -10.218 11.963 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.359 -11.658 14.028 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.729 -9.977 14.359 1.00 0.00 H new ATOM 89 N GLU A 16 -4.180 -11.895 10.267 1.00 0.00 N ATOM 90 CA GLU A 16 -4.511 -13.135 9.472 1.00 0.00 C ATOM 91 C GLU A 16 -5.886 -13.644 9.902 1.00 0.00 C ATOM 92 O GLU A 16 -6.139 -14.831 9.945 1.00 0.00 O ATOM 93 CB GLU A 16 -3.457 -14.215 9.744 1.00 0.00 C ATOM 94 CG GLU A 16 -3.570 -14.700 11.193 1.00 0.00 C ATOM 95 CD GLU A 16 -2.869 -16.052 11.334 1.00 0.00 C ATOM 96 OE1 GLU A 16 -3.398 -17.028 10.830 1.00 0.00 O ATOM 97 OE2 GLU A 16 -1.814 -16.089 11.945 1.00 0.00 O ATOM 0 H GLU A 16 -3.743 -11.142 9.736 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.518 -12.902 8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.596 -15.052 9.059 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.459 -13.816 9.562 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.119 -13.972 11.868 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.619 -14.791 11.477 1.00 0.00 H new ATOM 104 N ASN A 17 -6.775 -12.745 10.225 1.00 0.00 N ATOM 105 CA ASN A 17 -8.132 -13.158 10.659 1.00 0.00 C ATOM 106 C ASN A 17 -8.798 -13.965 9.548 1.00 0.00 C ATOM 107 O ASN A 17 -9.673 -14.772 9.793 1.00 0.00 O ATOM 108 CB ASN A 17 -8.960 -11.907 10.945 1.00 0.00 C ATOM 109 CG ASN A 17 -8.329 -11.126 12.096 1.00 0.00 C ATOM 110 OD1 ASN A 17 -7.579 -11.673 12.877 1.00 0.00 O ATOM 111 ND2 ASN A 17 -8.606 -9.859 12.237 1.00 0.00 N ATOM 0 H ASN A 17 -6.615 -11.738 10.206 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.063 -13.771 11.557 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.012 -11.282 10.054 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.983 -12.186 11.199 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.192 -9.329 13.004 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.237 -9.399 11.581 1.00 0.00 H new ATOM 118 N ASP A 18 -8.396 -13.753 8.326 1.00 0.00 N ATOM 119 CA ASP A 18 -9.017 -14.510 7.201 1.00 0.00 C ATOM 120 C ASP A 18 -7.977 -14.776 6.111 1.00 0.00 C ATOM 121 O ASP A 18 -7.260 -13.888 5.691 1.00 0.00 O ATOM 122 CB ASP A 18 -10.170 -13.692 6.616 1.00 0.00 C ATOM 123 CG ASP A 18 -10.882 -14.515 5.540 1.00 0.00 C ATOM 124 OD1 ASP A 18 -10.608 -15.701 5.451 1.00 0.00 O ATOM 125 OD2 ASP A 18 -11.689 -13.946 4.825 1.00 0.00 O ATOM 0 H ASP A 18 -7.668 -13.092 8.057 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.393 -15.463 7.575 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.872 -13.417 7.403 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.792 -12.764 6.188 1.00 0.00 H new ATOM 130 N GLU A 19 -7.893 -15.993 5.647 1.00 0.00 N ATOM 131 CA GLU A 19 -6.899 -16.322 4.577 1.00 0.00 C ATOM 132 C GLU A 19 -7.350 -15.689 3.245 1.00 0.00 C ATOM 133 O GLU A 19 -6.544 -15.432 2.372 1.00 0.00 O ATOM 134 CB GLU A 19 -6.781 -17.858 4.449 1.00 0.00 C ATOM 135 CG GLU A 19 -6.605 -18.268 2.986 1.00 0.00 C ATOM 136 CD GLU A 19 -5.285 -17.708 2.453 1.00 0.00 C ATOM 137 OE1 GLU A 19 -4.763 -16.791 3.066 1.00 0.00 O ATOM 138 OE2 GLU A 19 -4.818 -18.206 1.441 1.00 0.00 O ATOM 0 H GLU A 19 -8.468 -16.775 5.960 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.920 -15.918 4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.933 -18.212 5.035 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.673 -18.331 4.860 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.613 -19.354 2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.438 -17.894 2.390 1.00 0.00 H new ATOM 145 N GLY A 20 -8.623 -15.440 3.078 1.00 0.00 N ATOM 146 CA GLY A 20 -9.109 -14.830 1.808 1.00 0.00 C ATOM 147 C GLY A 20 -8.463 -13.456 1.611 1.00 0.00 C ATOM 148 O GLY A 20 -8.535 -12.877 0.547 1.00 0.00 O ATOM 0 H GLY A 20 -9.348 -15.634 3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.868 -15.479 0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.194 -14.731 1.833 1.00 0.00 H new ATOM 152 N LEU A 21 -7.849 -12.926 2.632 1.00 0.00 N ATOM 153 CA LEU A 21 -7.210 -11.577 2.508 1.00 0.00 C ATOM 154 C LEU A 21 -6.095 -11.616 1.453 1.00 0.00 C ATOM 155 O LEU A 21 -5.697 -10.597 0.925 1.00 0.00 O ATOM 156 CB LEU A 21 -6.621 -11.167 3.865 1.00 0.00 C ATOM 157 CG LEU A 21 -5.979 -9.777 3.767 1.00 0.00 C ATOM 158 CD1 LEU A 21 -4.600 -9.891 3.116 1.00 0.00 C ATOM 159 CD2 LEU A 21 -6.868 -8.851 2.931 1.00 0.00 C ATOM 0 H LEU A 21 -7.760 -13.365 3.548 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.963 -10.851 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.405 -11.161 4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.877 -11.898 4.182 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.872 -9.362 4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.147 -8.902 3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.965 -10.540 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.703 -10.312 2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.407 -7.866 2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.984 -9.265 1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.847 -8.763 3.403 1.00 0.00 H new ATOM 171 N GLN A 22 -5.590 -12.779 1.135 1.00 0.00 N ATOM 172 CA GLN A 22 -4.510 -12.865 0.119 1.00 0.00 C ATOM 173 C GLN A 22 -5.014 -12.314 -1.215 1.00 0.00 C ATOM 174 O GLN A 22 -4.245 -12.050 -2.118 1.00 0.00 O ATOM 175 CB GLN A 22 -4.064 -14.320 -0.025 1.00 0.00 C ATOM 176 CG GLN A 22 -2.646 -14.357 -0.577 1.00 0.00 C ATOM 177 CD GLN A 22 -2.673 -14.867 -2.019 1.00 0.00 C ATOM 178 OE1 GLN A 22 -3.712 -14.885 -2.650 1.00 0.00 O ATOM 179 NE2 GLN A 22 -1.568 -15.284 -2.570 1.00 0.00 N ATOM 0 H GLN A 22 -5.881 -13.670 1.537 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.654 -12.268 0.435 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.104 -14.822 0.942 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.740 -14.856 -0.691 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.204 -13.361 -0.540 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.022 -15.006 0.038 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.697 -15.269 -2.040 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.575 -15.626 -3.531 1.00 0.00 H new ATOM 188 N ARG A 23 -6.298 -12.124 -1.341 1.00 0.00 N ATOM 189 CA ARG A 23 -6.848 -11.578 -2.596 1.00 0.00 C ATOM 190 C ARG A 23 -6.590 -10.071 -2.636 1.00 0.00 C ATOM 191 O ARG A 23 -6.220 -9.517 -3.652 1.00 0.00 O ATOM 192 CB ARG A 23 -8.346 -11.869 -2.622 1.00 0.00 C ATOM 193 CG ARG A 23 -9.091 -10.886 -1.716 1.00 0.00 C ATOM 194 CD ARG A 23 -10.581 -11.231 -1.715 1.00 0.00 C ATOM 195 NE ARG A 23 -11.148 -10.979 -0.360 1.00 0.00 N ATOM 196 CZ ARG A 23 -12.191 -11.651 0.047 1.00 0.00 C ATOM 197 NH1 ARG A 23 -13.121 -11.991 -0.802 1.00 0.00 N ATOM 198 NH2 ARG A 23 -12.303 -11.980 1.305 1.00 0.00 N ATOM 0 H ARG A 23 -6.989 -12.328 -0.618 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.375 -12.035 -3.465 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.721 -11.791 -3.642 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.531 -12.891 -2.292 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.694 -10.935 -0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.942 -9.865 -2.068 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.105 -10.630 -2.458 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.724 -12.275 -1.992 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.721 -10.281 0.250 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.034 -11.732 -1.785 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.935 -12.516 -0.483 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.576 -11.712 1.969 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.117 -12.505 1.624 1.00 0.00 H new ATOM 212 N ALA A 24 -6.772 -9.403 -1.526 1.00 0.00 N ATOM 213 CA ALA A 24 -6.527 -7.938 -1.487 1.00 0.00 C ATOM 214 C ALA A 24 -5.103 -7.660 -1.971 1.00 0.00 C ATOM 215 O ALA A 24 -4.786 -6.583 -2.431 1.00 0.00 O ATOM 216 CB ALA A 24 -6.686 -7.434 -0.051 1.00 0.00 C ATOM 0 H ALA A 24 -7.081 -9.814 -0.645 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.242 -7.425 -2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.507 -6.359 -0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.697 -7.643 0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.968 -7.940 0.594 1.00 0.00 H new ATOM 222 N LEU A 25 -4.244 -8.637 -1.864 1.00 0.00 N ATOM 223 CA LEU A 25 -2.841 -8.465 -2.303 1.00 0.00 C ATOM 224 C LEU A 25 -2.802 -8.316 -3.832 1.00 0.00 C ATOM 225 O LEU A 25 -2.069 -7.508 -4.365 1.00 0.00 O ATOM 226 CB LEU A 25 -2.050 -9.697 -1.824 1.00 0.00 C ATOM 227 CG LEU A 25 -0.871 -9.999 -2.748 1.00 0.00 C ATOM 228 CD1 LEU A 25 -1.409 -10.696 -3.998 1.00 0.00 C ATOM 229 CD2 LEU A 25 -0.150 -8.703 -3.135 1.00 0.00 C ATOM 0 H LEU A 25 -4.464 -9.558 -1.485 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.392 -7.567 -1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.685 -9.525 -0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.712 -10.562 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.155 -10.643 -2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.583 -10.921 -4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.907 -11.622 -3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.121 -10.042 -4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.687 -8.935 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.845 -8.040 -3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.221 -8.211 -2.236 1.00 0.00 H new ATOM 241 N GLN A 26 -3.584 -9.087 -4.538 1.00 0.00 N ATOM 242 CA GLN A 26 -3.587 -8.984 -6.033 1.00 0.00 C ATOM 243 C GLN A 26 -4.134 -7.608 -6.450 1.00 0.00 C ATOM 244 O GLN A 26 -4.013 -7.200 -7.588 1.00 0.00 O ATOM 245 CB GLN A 26 -4.493 -10.091 -6.633 1.00 0.00 C ATOM 246 CG GLN A 26 -3.772 -11.454 -6.693 1.00 0.00 C ATOM 247 CD GLN A 26 -4.445 -12.344 -7.749 1.00 0.00 C ATOM 248 OE1 GLN A 26 -5.593 -11.988 -8.275 1.00 0.00 O flip ATOM 249 NE2 GLN A 26 -3.921 -13.382 -8.101 1.00 0.00 N flip ATOM 0 H GLN A 26 -4.220 -9.783 -4.149 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.569 -9.106 -6.402 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.398 -10.185 -6.032 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.805 -9.801 -7.636 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.720 -11.310 -6.940 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.807 -11.939 -5.718 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.029 -13.665 -7.697 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.374 -13.970 -8.801 1.00 0.00 H new ATOM 258 N PHE A 27 -4.738 -6.898 -5.538 1.00 0.00 N ATOM 259 CA PHE A 27 -5.303 -5.549 -5.874 1.00 0.00 C ATOM 260 C PHE A 27 -4.215 -4.487 -5.794 1.00 0.00 C ATOM 261 O PHE A 27 -4.070 -3.656 -6.669 1.00 0.00 O ATOM 262 CB PHE A 27 -6.392 -5.173 -4.873 1.00 0.00 C ATOM 263 CG PHE A 27 -7.689 -4.861 -5.581 1.00 0.00 C ATOM 264 CD1 PHE A 27 -7.705 -3.969 -6.663 1.00 0.00 C ATOM 265 CD2 PHE A 27 -8.882 -5.444 -5.138 1.00 0.00 C ATOM 266 CE1 PHE A 27 -8.915 -3.664 -7.298 1.00 0.00 C ATOM 267 CE2 PHE A 27 -10.092 -5.131 -5.768 1.00 0.00 C ATOM 268 CZ PHE A 27 -10.106 -4.241 -6.848 1.00 0.00 C ATOM 0 H PHE A 27 -4.868 -7.190 -4.569 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.712 -5.598 -6.883 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.544 -5.992 -4.170 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.074 -4.308 -4.291 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.786 -3.518 -7.006 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.869 -6.136 -4.309 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.928 -2.983 -8.136 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -11.013 -5.575 -5.421 1.00 0.00 H new ATOM 0 HZ PHE A 27 -11.039 -3.999 -7.335 1.00 0.00 H new ATOM 278 N ALA A 28 -3.473 -4.487 -4.729 1.00 0.00 N ATOM 279 CA ALA A 28 -2.414 -3.461 -4.548 1.00 0.00 C ATOM 280 C ALA A 28 -1.227 -3.730 -5.482 1.00 0.00 C ATOM 281 O ALA A 28 -0.575 -2.815 -5.946 1.00 0.00 O ATOM 282 CB ALA A 28 -1.953 -3.503 -3.096 1.00 0.00 C ATOM 0 H ALA A 28 -3.555 -5.160 -3.967 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.814 -2.477 -4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.174 -2.757 -2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.797 -3.290 -2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.558 -4.493 -2.868 1.00 0.00 H new ATOM 288 N MET A 29 -0.931 -4.971 -5.753 1.00 0.00 N ATOM 289 CA MET A 29 0.223 -5.283 -6.649 1.00 0.00 C ATOM 290 C MET A 29 -0.038 -4.746 -8.062 1.00 0.00 C ATOM 291 O MET A 29 0.880 -4.428 -8.790 1.00 0.00 O ATOM 292 CB MET A 29 0.421 -6.798 -6.713 1.00 0.00 C ATOM 293 CG MET A 29 1.827 -7.106 -7.232 1.00 0.00 C ATOM 294 SD MET A 29 2.865 -7.674 -5.862 1.00 0.00 S ATOM 295 CE MET A 29 2.665 -6.216 -4.811 1.00 0.00 C ATOM 0 H MET A 29 -1.435 -5.782 -5.395 1.00 0.00 H new ATOM 0 HA MET A 29 1.119 -4.807 -6.249 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.282 -7.236 -5.724 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.326 -7.246 -7.368 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.780 -7.870 -8.008 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.262 -6.216 -7.687 1.00 0.00 H new ATOM 0 HE1 MET A 29 3.354 -6.278 -3.968 1.00 0.00 H new ATOM 0 HE2 MET A 29 2.880 -5.318 -5.390 1.00 0.00 H new ATOM 0 HE3 MET A 29 1.641 -6.172 -4.440 1.00 0.00 H new ATOM 305 N ALA A 30 -1.277 -4.652 -8.460 1.00 0.00 N ATOM 306 CA ALA A 30 -1.579 -4.144 -9.830 1.00 0.00 C ATOM 307 C ALA A 30 -1.294 -2.643 -9.906 1.00 0.00 C ATOM 308 O ALA A 30 -0.741 -2.153 -10.872 1.00 0.00 O ATOM 309 CB ALA A 30 -3.052 -4.398 -10.152 1.00 0.00 C ATOM 0 H ALA A 30 -2.091 -4.904 -7.899 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.949 -4.664 -10.551 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.275 -4.028 -11.153 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.255 -5.468 -10.108 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.678 -3.880 -9.426 1.00 0.00 H new ATOM 315 N GLU A 31 -1.670 -1.907 -8.898 1.00 0.00 N ATOM 316 CA GLU A 31 -1.424 -0.436 -8.915 1.00 0.00 C ATOM 317 C GLU A 31 0.077 -0.168 -8.837 1.00 0.00 C ATOM 318 O GLU A 31 0.588 0.735 -9.466 1.00 0.00 O ATOM 319 CB GLU A 31 -2.117 0.223 -7.716 1.00 0.00 C ATOM 320 CG GLU A 31 -3.537 -0.331 -7.557 1.00 0.00 C ATOM 321 CD GLU A 31 -4.236 0.388 -6.402 1.00 0.00 C ATOM 322 OE1 GLU A 31 -4.782 1.454 -6.637 1.00 0.00 O ATOM 323 OE2 GLU A 31 -4.213 -0.137 -5.301 1.00 0.00 O ATOM 0 H GLU A 31 -2.137 -2.259 -8.062 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.825 -0.019 -9.839 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.543 0.039 -6.808 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.154 1.303 -7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.099 -0.191 -8.480 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.502 -1.403 -7.364 1.00 0.00 H new ATOM 330 N TYR A 32 0.790 -0.945 -8.072 1.00 0.00 N ATOM 331 CA TYR A 32 2.269 -0.718 -7.968 1.00 0.00 C ATOM 332 C TYR A 32 2.907 -0.938 -9.338 1.00 0.00 C ATOM 333 O TYR A 32 3.832 -0.255 -9.725 1.00 0.00 O ATOM 334 CB TYR A 32 2.900 -1.683 -6.956 1.00 0.00 C ATOM 335 CG TYR A 32 4.302 -1.208 -6.629 1.00 0.00 C ATOM 336 CD1 TYR A 32 4.490 -0.132 -5.750 1.00 0.00 C ATOM 337 CD2 TYR A 32 5.414 -1.842 -7.203 1.00 0.00 C ATOM 338 CE1 TYR A 32 5.785 0.308 -5.448 1.00 0.00 C ATOM 339 CE2 TYR A 32 6.707 -1.399 -6.897 1.00 0.00 C ATOM 340 CZ TYR A 32 6.891 -0.325 -6.020 1.00 0.00 C ATOM 341 OH TYR A 32 8.167 0.107 -5.720 1.00 0.00 O ATOM 0 H TYR A 32 0.424 -1.720 -7.518 1.00 0.00 H new ATOM 0 HA TYR A 32 2.442 0.303 -7.629 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.296 -1.726 -6.050 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.931 -2.692 -7.367 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.636 0.358 -5.306 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.273 -2.671 -7.880 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.929 1.138 -4.772 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.563 -1.887 -7.339 1.00 0.00 H new ATOM 0 HH TYR A 32 8.821 -0.482 -6.151 1.00 0.00 H new ATOM 351 N ASN A 33 2.418 -1.897 -10.070 1.00 0.00 N ATOM 352 CA ASN A 33 3.016 -2.165 -11.439 1.00 0.00 C ATOM 353 C ASN A 33 3.098 -0.842 -12.211 1.00 0.00 C ATOM 354 O ASN A 33 3.871 -0.702 -13.138 1.00 0.00 O ATOM 355 CB ASN A 33 2.198 -3.193 -12.284 1.00 0.00 C ATOM 356 CG ASN A 33 2.575 -3.045 -13.771 1.00 0.00 C ATOM 357 OD1 ASN A 33 2.194 -1.986 -14.442 1.00 0.00 O flip ATOM 358 ND2 ASN A 33 3.232 -3.903 -14.323 1.00 0.00 N flip ATOM 0 H ASN A 33 1.645 -2.506 -9.801 1.00 0.00 H new ATOM 0 HA ASN A 33 4.002 -2.600 -11.277 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.405 -4.208 -11.944 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.130 -3.024 -12.149 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.531 -4.729 -13.805 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.485 -3.798 -15.305 1.00 0.00 H new ATOM 365 N ARG A 34 2.299 0.125 -11.859 1.00 0.00 N ATOM 366 CA ARG A 34 2.328 1.411 -12.583 1.00 0.00 C ATOM 367 C ARG A 34 3.676 2.117 -12.373 1.00 0.00 C ATOM 368 O ARG A 34 4.251 2.659 -13.296 1.00 0.00 O ATOM 369 CB ARG A 34 1.185 2.267 -12.046 1.00 0.00 C ATOM 370 CG ARG A 34 1.597 2.958 -10.743 1.00 0.00 C ATOM 371 CD ARG A 34 0.393 3.705 -10.170 1.00 0.00 C ATOM 372 NE ARG A 34 0.006 4.800 -11.102 1.00 0.00 N ATOM 373 CZ ARG A 34 -0.790 5.748 -10.697 1.00 0.00 C ATOM 374 NH1 ARG A 34 -1.643 5.517 -9.736 1.00 0.00 N ATOM 375 NH2 ARG A 34 -0.735 6.929 -11.252 1.00 0.00 N ATOM 0 H ARG A 34 1.625 0.073 -11.095 1.00 0.00 H new ATOM 0 HA ARG A 34 2.209 1.248 -13.654 1.00 0.00 H new ATOM 0 HB2 ARG A 34 0.904 3.015 -12.788 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.307 1.644 -11.872 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.959 2.222 -10.025 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.417 3.652 -10.928 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.442 3.019 -10.029 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.637 4.115 -9.190 1.00 0.00 H new ATOM 0 HE ARG A 34 0.364 4.808 -12.057 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.686 4.595 -9.303 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.267 6.259 -9.418 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.069 7.109 -12.003 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.359 7.671 -10.935 1.00 0.00 H new ATOM 389 N ALA A 35 4.171 2.128 -11.167 1.00 0.00 N ATOM 390 CA ALA A 35 5.472 2.810 -10.886 1.00 0.00 C ATOM 391 C ALA A 35 6.616 2.134 -11.659 1.00 0.00 C ATOM 392 O ALA A 35 7.669 2.710 -11.841 1.00 0.00 O ATOM 393 CB ALA A 35 5.763 2.732 -9.387 1.00 0.00 C ATOM 0 H ALA A 35 3.730 1.692 -10.357 1.00 0.00 H new ATOM 0 HA ALA A 35 5.401 3.850 -11.204 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.710 3.227 -9.174 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.963 3.226 -8.835 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.823 1.687 -9.082 1.00 0.00 H new ATOM 399 N SER A 36 6.430 0.920 -12.115 1.00 0.00 N ATOM 400 CA SER A 36 7.522 0.230 -12.865 1.00 0.00 C ATOM 401 C SER A 36 7.585 0.757 -14.298 1.00 0.00 C ATOM 402 O SER A 36 8.384 0.313 -15.100 1.00 0.00 O ATOM 403 CB SER A 36 7.304 -1.292 -12.842 1.00 0.00 C ATOM 404 OG SER A 36 5.931 -1.573 -12.634 1.00 0.00 O ATOM 0 H SER A 36 5.573 0.380 -12.001 1.00 0.00 H new ATOM 0 HA SER A 36 8.476 0.440 -12.382 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.637 -1.731 -13.782 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.902 -1.743 -12.050 1.00 0.00 H new ATOM 0 HG SER A 36 5.388 -0.996 -13.211 1.00 0.00 H new ATOM 410 N ASN A 37 6.756 1.707 -14.624 1.00 0.00 N ATOM 411 CA ASN A 37 6.784 2.272 -16.016 1.00 0.00 C ATOM 412 C ASN A 37 7.224 3.737 -15.970 1.00 0.00 C ATOM 413 O ASN A 37 7.307 4.404 -16.982 1.00 0.00 O ATOM 414 CB ASN A 37 5.409 2.169 -16.694 1.00 0.00 C ATOM 415 CG ASN A 37 5.608 2.060 -18.208 1.00 0.00 C ATOM 416 OD1 ASN A 37 5.004 2.792 -18.965 1.00 0.00 O ATOM 417 ND2 ASN A 37 6.437 1.170 -18.685 1.00 0.00 N ATOM 0 H ASN A 37 6.063 2.119 -13.999 1.00 0.00 H new ATOM 0 HA ASN A 37 7.495 1.688 -16.601 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.870 1.298 -16.321 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.805 3.044 -16.456 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.576 1.091 -19.692 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.945 0.554 -18.050 1.00 0.00 H new ATOM 424 N ASP A 38 7.513 4.241 -14.799 1.00 0.00 N ATOM 425 CA ASP A 38 7.955 5.646 -14.667 1.00 0.00 C ATOM 426 C ASP A 38 9.247 5.866 -15.448 1.00 0.00 C ATOM 427 O ASP A 38 9.617 5.085 -16.302 1.00 0.00 O ATOM 428 CB ASP A 38 8.197 5.917 -13.188 1.00 0.00 C ATOM 429 CG ASP A 38 9.411 5.116 -12.714 1.00 0.00 C ATOM 430 OD1 ASP A 38 9.911 4.318 -13.490 1.00 0.00 O ATOM 431 OD2 ASP A 38 9.824 5.315 -11.583 1.00 0.00 O ATOM 0 H ASP A 38 7.458 3.725 -13.921 1.00 0.00 H new ATOM 0 HA ASP A 38 7.196 6.320 -15.064 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.364 6.982 -13.025 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.317 5.640 -12.608 1.00 0.00 H new ATOM 436 N LYS A 39 9.940 6.923 -15.144 1.00 0.00 N ATOM 437 CA LYS A 39 11.228 7.210 -15.842 1.00 0.00 C ATOM 438 C LYS A 39 12.323 7.214 -14.780 1.00 0.00 C ATOM 439 O LYS A 39 13.259 7.987 -14.832 1.00 0.00 O ATOM 440 CB LYS A 39 11.162 8.589 -16.508 1.00 0.00 C ATOM 441 CG LYS A 39 10.508 9.596 -15.559 1.00 0.00 C ATOM 442 CD LYS A 39 9.100 9.926 -16.059 1.00 0.00 C ATOM 443 CE LYS A 39 9.132 11.232 -16.854 1.00 0.00 C ATOM 444 NZ LYS A 39 9.656 10.967 -18.224 1.00 0.00 N ATOM 0 H LYS A 39 9.671 7.608 -14.438 1.00 0.00 H new ATOM 0 HA LYS A 39 11.426 6.462 -16.610 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.165 8.923 -16.772 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.593 8.528 -17.435 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.461 9.184 -14.551 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.109 10.504 -15.505 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.726 9.116 -16.685 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.416 10.018 -15.216 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.131 11.659 -16.912 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.762 11.963 -16.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.615 11.841 -18.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.642 10.642 -18.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.078 10.233 -18.681 1.00 0.00 H new ATOM 458 N TYR A 40 12.176 6.380 -13.784 1.00 0.00 N ATOM 459 CA TYR A 40 13.145 6.347 -12.675 1.00 0.00 C ATOM 460 C TYR A 40 12.936 5.025 -11.931 1.00 0.00 C ATOM 461 O TYR A 40 12.443 4.072 -12.502 1.00 0.00 O ATOM 462 CB TYR A 40 12.807 7.543 -11.763 1.00 0.00 C ATOM 463 CG TYR A 40 13.153 8.906 -12.441 1.00 0.00 C ATOM 464 CD1 TYR A 40 14.502 9.305 -12.639 1.00 0.00 C ATOM 465 CD2 TYR A 40 12.128 9.790 -12.875 1.00 0.00 C ATOM 466 CE1 TYR A 40 14.799 10.530 -13.247 1.00 0.00 C ATOM 467 CE2 TYR A 40 12.450 11.012 -13.479 1.00 0.00 C ATOM 468 CZ TYR A 40 13.779 11.380 -13.667 1.00 0.00 C ATOM 469 OH TYR A 40 14.085 12.585 -14.265 1.00 0.00 O ATOM 0 H TYR A 40 11.409 5.713 -13.701 1.00 0.00 H new ATOM 0 HA TYR A 40 14.181 6.414 -13.007 1.00 0.00 H new ATOM 0 HB2 TYR A 40 11.746 7.521 -11.513 1.00 0.00 H new ATOM 0 HB3 TYR A 40 13.358 7.453 -10.827 1.00 0.00 H new ATOM 0 HD1 TYR A 40 15.305 8.658 -12.318 1.00 0.00 H new ATOM 0 HD2 TYR A 40 11.092 9.517 -12.738 1.00 0.00 H new ATOM 0 HE1 TYR A 40 15.829 10.819 -13.392 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.660 11.674 -13.802 1.00 0.00 H new ATOM 0 HH TYR A 40 13.257 13.054 -14.498 1.00 0.00 H new ATOM 479 N SER A 41 13.287 4.931 -10.676 1.00 0.00 N ATOM 480 CA SER A 41 13.053 3.606 -9.983 1.00 0.00 C ATOM 481 C SER A 41 12.068 3.783 -8.826 1.00 0.00 C ATOM 482 O SER A 41 12.110 4.756 -8.109 1.00 0.00 O ATOM 483 CB SER A 41 14.378 2.998 -9.465 1.00 0.00 C ATOM 484 OG SER A 41 15.201 4.032 -8.948 1.00 0.00 O ATOM 0 H SER A 41 13.707 5.670 -10.112 1.00 0.00 H new ATOM 0 HA SER A 41 12.630 2.916 -10.713 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.173 2.259 -8.690 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.893 2.478 -10.273 1.00 0.00 H new ATOM 0 HG SER A 41 15.763 3.674 -8.230 1.00 0.00 H new ATOM 490 N SER A 42 11.170 2.852 -8.632 1.00 0.00 N ATOM 491 CA SER A 42 10.198 2.997 -7.513 1.00 0.00 C ATOM 492 C SER A 42 10.485 1.911 -6.465 1.00 0.00 C ATOM 493 O SER A 42 11.008 0.864 -6.792 1.00 0.00 O ATOM 494 CB SER A 42 8.768 2.830 -8.040 1.00 0.00 C ATOM 495 OG SER A 42 8.675 3.391 -9.341 1.00 0.00 O ATOM 0 H SER A 42 11.069 2.007 -9.194 1.00 0.00 H new ATOM 0 HA SER A 42 10.299 3.986 -7.066 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.500 1.774 -8.068 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.062 3.320 -7.370 1.00 0.00 H new ATOM 0 HG SER A 42 8.580 4.364 -9.272 1.00 0.00 H new ATOM 501 N ARG A 43 10.158 2.126 -5.210 1.00 0.00 N ATOM 502 CA ARG A 43 10.438 1.067 -4.202 1.00 0.00 C ATOM 503 C ARG A 43 9.888 1.496 -2.839 1.00 0.00 C ATOM 504 O ARG A 43 10.083 2.615 -2.405 1.00 0.00 O ATOM 505 CB ARG A 43 11.957 0.859 -4.098 1.00 0.00 C ATOM 506 CG ARG A 43 12.645 2.216 -3.958 1.00 0.00 C ATOM 507 CD ARG A 43 14.143 2.006 -3.728 1.00 0.00 C ATOM 508 NE ARG A 43 14.347 0.815 -2.857 1.00 0.00 N ATOM 509 CZ ARG A 43 15.102 -0.171 -3.262 1.00 0.00 C ATOM 510 NH1 ARG A 43 14.741 -0.889 -4.288 1.00 0.00 N ATOM 511 NH2 ARG A 43 16.215 -0.437 -2.637 1.00 0.00 N ATOM 0 H ARG A 43 9.718 2.974 -4.851 1.00 0.00 H new ATOM 0 HA ARG A 43 9.959 0.137 -4.507 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.191 0.230 -3.240 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.326 0.341 -4.983 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.484 2.812 -4.856 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.212 2.771 -3.126 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.652 1.865 -4.681 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.578 2.890 -3.262 1.00 0.00 H new ATOM 0 HE ARG A 43 13.897 0.769 -1.943 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.869 -0.681 -4.775 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.330 -1.659 -4.604 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.495 0.125 -1.833 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.806 -1.207 -2.952 1.00 0.00 H new ATOM 525 N VAL A 44 9.206 0.617 -2.153 1.00 0.00 N ATOM 526 CA VAL A 44 8.663 0.987 -0.823 1.00 0.00 C ATOM 527 C VAL A 44 9.765 0.822 0.222 1.00 0.00 C ATOM 528 O VAL A 44 10.663 0.018 0.074 1.00 0.00 O ATOM 529 CB VAL A 44 7.468 0.075 -0.476 1.00 0.00 C ATOM 530 CG1 VAL A 44 7.977 -1.284 0.016 1.00 0.00 C ATOM 531 CG2 VAL A 44 6.629 0.730 0.624 1.00 0.00 C ATOM 0 H VAL A 44 9.005 -0.335 -2.458 1.00 0.00 H new ATOM 0 HA VAL A 44 8.322 2.022 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 44 6.857 -0.070 -1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.129 -1.924 0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.573 -1.754 -0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.592 -1.142 0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.784 0.086 0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.244 0.877 1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.260 1.694 0.275 1.00 0.00 H new ATOM 541 N VAL A 45 9.698 1.576 1.278 1.00 0.00 N ATOM 542 CA VAL A 45 10.735 1.462 2.337 1.00 0.00 C ATOM 543 C VAL A 45 10.251 0.451 3.379 1.00 0.00 C ATOM 544 O VAL A 45 10.993 -0.395 3.835 1.00 0.00 O ATOM 545 CB VAL A 45 10.944 2.826 3.001 1.00 0.00 C ATOM 546 CG1 VAL A 45 12.308 2.853 3.698 1.00 0.00 C ATOM 547 CG2 VAL A 45 10.895 3.924 1.935 1.00 0.00 C ATOM 0 H VAL A 45 8.970 2.268 1.455 1.00 0.00 H new ATOM 0 HA VAL A 45 11.679 1.132 1.904 1.00 0.00 H new ATOM 0 HB VAL A 45 10.158 2.996 3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.456 3.824 4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.344 2.071 4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 45 13.095 2.683 2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.044 4.896 2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.682 3.753 1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.925 3.906 1.439 1.00 0.00 H new ATOM 557 N ARG A 46 9.000 0.537 3.749 1.00 0.00 N ATOM 558 CA ARG A 46 8.444 -0.415 4.760 1.00 0.00 C ATOM 559 C ARG A 46 7.001 -0.018 5.087 1.00 0.00 C ATOM 560 O ARG A 46 6.604 1.115 4.904 1.00 0.00 O ATOM 561 CB ARG A 46 9.286 -0.352 6.035 1.00 0.00 C ATOM 562 CG ARG A 46 9.300 -1.726 6.705 1.00 0.00 C ATOM 563 CD ARG A 46 8.722 -1.612 8.118 1.00 0.00 C ATOM 564 NE ARG A 46 9.563 -0.683 8.924 1.00 0.00 N ATOM 565 CZ ARG A 46 9.891 -0.995 10.148 1.00 0.00 C ATOM 566 NH1 ARG A 46 9.155 -1.833 10.825 1.00 0.00 N ATOM 567 NH2 ARG A 46 10.952 -0.468 10.693 1.00 0.00 N ATOM 0 H ARG A 46 8.337 1.226 3.395 1.00 0.00 H new ATOM 0 HA ARG A 46 8.465 -1.428 4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.303 -0.041 5.797 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.877 0.393 6.717 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.716 -2.434 6.118 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.319 -2.111 6.748 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.696 -1.246 8.075 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.691 -2.594 8.590 1.00 0.00 H new ATOM 0 HE ARG A 46 9.882 0.197 8.519 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.325 -2.243 10.397 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.410 -2.078 11.782 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.525 0.188 10.163 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.208 -0.712 11.650 1.00 0.00 H new ATOM 581 N VAL A 47 6.217 -0.935 5.589 1.00 0.00 N ATOM 582 CA VAL A 47 4.804 -0.589 5.945 1.00 0.00 C ATOM 583 C VAL A 47 4.821 0.072 7.328 1.00 0.00 C ATOM 584 O VAL A 47 5.658 -0.226 8.156 1.00 0.00 O ATOM 585 CB VAL A 47 3.924 -1.866 5.944 1.00 0.00 C ATOM 586 CG1 VAL A 47 2.952 -1.868 7.132 1.00 0.00 C ATOM 587 CG2 VAL A 47 3.107 -1.911 4.647 1.00 0.00 C ATOM 0 H VAL A 47 6.488 -1.902 5.768 1.00 0.00 H new ATOM 0 HA VAL A 47 4.378 0.098 5.214 1.00 0.00 H new ATOM 0 HB VAL A 47 4.579 -2.734 6.022 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.348 -2.775 7.106 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.516 -1.835 8.064 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.301 -0.996 7.071 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.486 -2.807 4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.471 -1.028 4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.783 -1.931 3.792 1.00 0.00 H new ATOM 597 N ILE A 48 3.918 0.978 7.582 1.00 0.00 N ATOM 598 CA ILE A 48 3.916 1.657 8.910 1.00 0.00 C ATOM 599 C ILE A 48 2.933 0.967 9.861 1.00 0.00 C ATOM 600 O ILE A 48 3.105 0.996 11.063 1.00 0.00 O ATOM 601 CB ILE A 48 3.512 3.122 8.738 1.00 0.00 C ATOM 602 CG1 ILE A 48 4.632 3.879 8.021 1.00 0.00 C ATOM 603 CG2 ILE A 48 3.277 3.747 10.115 1.00 0.00 C ATOM 604 CD1 ILE A 48 4.024 4.962 7.125 1.00 0.00 C ATOM 0 H ILE A 48 3.188 1.276 6.935 1.00 0.00 H new ATOM 0 HA ILE A 48 4.919 1.599 9.334 1.00 0.00 H new ATOM 0 HB ILE A 48 2.598 3.181 8.148 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.305 4.331 8.750 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.227 3.189 7.423 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.989 4.791 9.996 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.481 3.207 10.629 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.193 3.688 10.702 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.821 5.502 6.614 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.369 4.498 6.387 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.448 5.658 7.735 1.00 0.00 H new ATOM 616 N SER A 49 1.905 0.355 9.340 1.00 0.00 N ATOM 617 CA SER A 49 0.918 -0.326 10.230 1.00 0.00 C ATOM 618 C SER A 49 -0.379 -0.586 9.468 1.00 0.00 C ATOM 619 O SER A 49 -0.806 0.205 8.650 1.00 0.00 O ATOM 620 CB SER A 49 0.614 0.574 11.440 1.00 0.00 C ATOM 621 OG SER A 49 0.894 1.923 11.102 1.00 0.00 O ATOM 0 H SER A 49 1.705 0.296 8.342 1.00 0.00 H new ATOM 0 HA SER A 49 1.338 -1.274 10.566 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.431 0.469 11.732 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.216 0.269 12.296 1.00 0.00 H new ATOM 0 HG SER A 49 0.701 2.500 11.870 1.00 0.00 H new ATOM 627 N ALA A 50 -1.006 -1.695 9.740 1.00 0.00 N ATOM 628 CA ALA A 50 -2.284 -2.022 9.047 1.00 0.00 C ATOM 629 C ALA A 50 -3.411 -2.090 10.080 1.00 0.00 C ATOM 630 O ALA A 50 -3.297 -2.755 11.091 1.00 0.00 O ATOM 631 CB ALA A 50 -2.148 -3.374 8.342 1.00 0.00 C ATOM 0 H ALA A 50 -0.688 -2.392 10.414 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.512 -1.253 8.309 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.082 -3.615 7.834 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.340 -3.324 7.612 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.925 -4.147 9.077 1.00 0.00 H new ATOM 637 N LYS A 51 -4.497 -1.408 9.840 1.00 0.00 N ATOM 638 CA LYS A 51 -5.623 -1.439 10.819 1.00 0.00 C ATOM 639 C LYS A 51 -6.938 -1.731 10.091 1.00 0.00 C ATOM 640 O LYS A 51 -7.211 -1.188 9.040 1.00 0.00 O ATOM 641 CB LYS A 51 -5.724 -0.086 11.533 1.00 0.00 C ATOM 642 CG LYS A 51 -4.361 0.284 12.121 1.00 0.00 C ATOM 643 CD LYS A 51 -4.543 0.779 13.557 1.00 0.00 C ATOM 644 CE LYS A 51 -4.546 2.310 13.575 1.00 0.00 C ATOM 645 NZ LYS A 51 -3.209 2.806 14.007 1.00 0.00 N ATOM 0 H LYS A 51 -4.654 -0.833 9.013 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.436 -2.224 11.552 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.051 0.683 10.833 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.472 -0.135 12.324 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.699 -0.582 12.104 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.889 1.058 11.515 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.478 0.398 13.968 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.739 0.399 14.188 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.785 2.695 12.584 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.317 2.675 14.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.212 3.846 14.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.998 2.449 14.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.483 2.469 13.343 1.00 0.00 H new ATOM 659 N ARG A 52 -7.750 -2.588 10.643 1.00 0.00 N ATOM 660 CA ARG A 52 -9.047 -2.922 9.990 1.00 0.00 C ATOM 661 C ARG A 52 -10.200 -2.412 10.849 1.00 0.00 C ATOM 662 O ARG A 52 -10.188 -2.511 12.060 1.00 0.00 O ATOM 663 CB ARG A 52 -9.170 -4.447 9.839 1.00 0.00 C ATOM 664 CG ARG A 52 -8.759 -5.116 11.153 1.00 0.00 C ATOM 665 CD ARG A 52 -9.193 -6.582 11.141 1.00 0.00 C ATOM 666 NE ARG A 52 -10.633 -6.671 10.767 1.00 0.00 N ATOM 667 CZ ARG A 52 -11.128 -7.804 10.349 1.00 0.00 C ATOM 668 NH1 ARG A 52 -10.956 -8.171 9.108 1.00 0.00 N ATOM 669 NH2 ARG A 52 -11.792 -8.571 11.170 1.00 0.00 N ATOM 0 H ARG A 52 -7.571 -3.074 11.522 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.085 -2.451 9.008 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.194 -4.718 9.584 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.535 -4.797 9.025 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.679 -5.047 11.285 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.217 -4.598 11.995 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.587 -7.146 10.432 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.033 -7.028 12.123 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.231 -5.848 10.838 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.435 -7.573 8.467 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.342 -9.056 8.780 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.925 -8.285 12.140 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.178 -9.456 10.842 1.00 0.00 H new ATOM 683 N GLN A 53 -11.201 -1.875 10.217 1.00 0.00 N ATOM 684 CA GLN A 53 -12.378 -1.358 10.968 1.00 0.00 C ATOM 685 C GLN A 53 -13.652 -1.947 10.359 1.00 0.00 C ATOM 686 O GLN A 53 -13.673 -2.347 9.210 1.00 0.00 O ATOM 687 CB GLN A 53 -12.416 0.170 10.864 1.00 0.00 C ATOM 688 CG GLN A 53 -13.332 0.735 11.952 1.00 0.00 C ATOM 689 CD GLN A 53 -12.976 2.201 12.208 1.00 0.00 C ATOM 690 OE1 GLN A 53 -11.845 2.517 12.518 1.00 0.00 O ATOM 691 NE2 GLN A 53 -13.898 3.115 12.089 1.00 0.00 N ATOM 0 H GLN A 53 -11.257 -1.770 9.204 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.306 -1.645 12.017 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -11.411 0.577 10.973 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -12.776 0.469 9.880 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -14.374 0.651 11.644 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -13.223 0.158 12.870 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -14.848 2.850 11.829 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.669 4.095 12.256 1.00 0.00 H new ATOM 700 N LEU A 54 -14.716 -2.003 11.115 1.00 0.00 N ATOM 701 CA LEU A 54 -15.981 -2.571 10.568 1.00 0.00 C ATOM 702 C LEU A 54 -17.066 -1.478 10.560 1.00 0.00 C ATOM 703 O LEU A 54 -17.090 -0.626 11.424 1.00 0.00 O ATOM 704 CB LEU A 54 -16.440 -3.733 11.449 1.00 0.00 C ATOM 705 CG LEU A 54 -16.865 -3.198 12.817 1.00 0.00 C ATOM 706 CD1 LEU A 54 -18.389 -3.209 12.918 1.00 0.00 C ATOM 707 CD2 LEU A 54 -16.274 -4.082 13.917 1.00 0.00 C ATOM 0 H LEU A 54 -14.764 -1.682 12.082 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.812 -2.929 9.552 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -17.272 -4.255 10.976 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.633 -4.457 11.564 1.00 0.00 H new ATOM 0 HG LEU A 54 -16.501 -2.178 12.937 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -18.692 -2.828 13.893 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -18.810 -2.578 12.135 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -18.754 -4.229 12.798 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.577 -3.701 14.892 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.637 -5.103 13.798 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.186 -4.073 13.846 1.00 0.00 H new ATOM 719 N VAL A 55 -17.970 -1.493 9.604 1.00 0.00 N ATOM 720 CA VAL A 55 -19.037 -0.466 9.555 1.00 0.00 C ATOM 721 C VAL A 55 -20.030 -0.968 8.520 1.00 0.00 C ATOM 722 O VAL A 55 -20.047 -0.468 7.414 1.00 0.00 O ATOM 723 CB VAL A 55 -18.452 0.860 9.069 1.00 0.00 C ATOM 724 CG1 VAL A 55 -17.678 1.534 10.204 1.00 0.00 C ATOM 725 CG2 VAL A 55 -17.509 0.584 7.899 1.00 0.00 C ATOM 0 H VAL A 55 -18.005 -2.184 8.854 1.00 0.00 H new ATOM 0 HA VAL A 55 -19.492 -0.308 10.533 1.00 0.00 H new ATOM 0 HB VAL A 55 -19.257 1.521 8.749 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -17.264 2.478 9.851 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -18.350 1.723 11.041 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.868 0.881 10.530 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -17.085 1.523 7.544 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -16.705 -0.075 8.227 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -18.063 0.107 7.090 1.00 0.00 H new ATOM 735 N SER A 56 -20.799 -2.003 8.831 1.00 0.00 N ATOM 736 CA SER A 56 -21.730 -2.589 7.825 1.00 0.00 C ATOM 737 C SER A 56 -20.981 -3.724 7.129 1.00 0.00 C ATOM 738 O SER A 56 -21.520 -4.779 6.857 1.00 0.00 O ATOM 739 CB SER A 56 -22.124 -1.534 6.815 1.00 0.00 C ATOM 740 OG SER A 56 -23.415 -1.813 6.297 1.00 0.00 O ATOM 0 H SER A 56 -20.812 -2.458 9.744 1.00 0.00 H new ATOM 0 HA SER A 56 -22.638 -2.958 8.302 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.117 -0.550 7.284 1.00 0.00 H new ATOM 0 HB3 SER A 56 -21.396 -1.506 6.004 1.00 0.00 H new ATOM 0 HG SER A 56 -23.330 -2.289 5.445 1.00 0.00 H new ATOM 746 N GLY A 57 -19.716 -3.509 6.874 1.00 0.00 N ATOM 747 CA GLY A 57 -18.869 -4.542 6.237 1.00 0.00 C ATOM 748 C GLY A 57 -17.463 -4.394 6.844 1.00 0.00 C ATOM 749 O GLY A 57 -17.330 -3.985 7.986 1.00 0.00 O ATOM 0 H GLY A 57 -19.231 -2.638 7.089 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -19.268 -5.539 6.423 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -18.840 -4.407 5.156 1.00 0.00 H new ATOM 753 N ILE A 58 -16.413 -4.680 6.111 1.00 0.00 N ATOM 754 CA ILE A 58 -15.051 -4.510 6.699 1.00 0.00 C ATOM 755 C ILE A 58 -14.201 -3.636 5.776 1.00 0.00 C ATOM 756 O ILE A 58 -14.395 -3.610 4.579 1.00 0.00 O ATOM 757 CB ILE A 58 -14.368 -5.873 6.884 1.00 0.00 C ATOM 758 CG1 ILE A 58 -15.428 -6.972 7.012 1.00 0.00 C ATOM 759 CG2 ILE A 58 -13.518 -5.838 8.156 1.00 0.00 C ATOM 760 CD1 ILE A 58 -16.333 -6.675 8.210 1.00 0.00 C ATOM 0 H ILE A 58 -16.440 -5.018 5.149 1.00 0.00 H new ATOM 0 HA ILE A 58 -15.149 -4.032 7.674 1.00 0.00 H new ATOM 0 HB ILE A 58 -13.736 -6.083 6.021 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -16.022 -7.027 6.100 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -14.947 -7.942 7.138 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -13.030 -6.803 8.294 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -12.762 -5.058 8.067 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.156 -5.628 9.014 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -17.086 -7.458 8.300 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -15.733 -6.643 9.120 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -16.825 -5.713 8.065 1.00 0.00 H new ATOM 772 N LYS A 59 -13.261 -2.920 6.324 1.00 0.00 N ATOM 773 CA LYS A 59 -12.396 -2.047 5.475 1.00 0.00 C ATOM 774 C LYS A 59 -10.976 -2.042 6.047 1.00 0.00 C ATOM 775 O LYS A 59 -10.782 -1.919 7.239 1.00 0.00 O ATOM 776 CB LYS A 59 -12.950 -0.617 5.472 1.00 0.00 C ATOM 777 CG LYS A 59 -11.928 0.327 4.834 1.00 0.00 C ATOM 778 CD LYS A 59 -12.401 1.773 4.998 1.00 0.00 C ATOM 779 CE LYS A 59 -12.030 2.281 6.393 1.00 0.00 C ATOM 780 NZ LYS A 59 -12.475 3.696 6.541 1.00 0.00 N ATOM 0 H LYS A 59 -13.052 -2.899 7.322 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.382 -2.429 4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.889 -0.581 4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -13.168 -0.298 6.491 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.953 0.196 5.303 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.807 0.090 3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.943 2.404 4.237 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.480 1.832 4.854 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.500 1.659 7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.953 2.210 6.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.223 4.042 7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.007 4.284 5.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.506 3.751 6.415 1.00 0.00 H new ATOM 794 N TYR A 60 -9.978 -2.171 5.214 1.00 0.00 N ATOM 795 CA TYR A 60 -8.583 -2.169 5.735 1.00 0.00 C ATOM 796 C TYR A 60 -7.954 -0.800 5.484 1.00 0.00 C ATOM 797 O TYR A 60 -8.314 -0.100 4.561 1.00 0.00 O ATOM 798 CB TYR A 60 -7.766 -3.254 5.027 1.00 0.00 C ATOM 799 CG TYR A 60 -8.435 -4.595 5.221 1.00 0.00 C ATOM 800 CD1 TYR A 60 -9.654 -4.867 4.588 1.00 0.00 C ATOM 801 CD2 TYR A 60 -7.836 -5.566 6.034 1.00 0.00 C ATOM 802 CE1 TYR A 60 -10.273 -6.109 4.769 1.00 0.00 C ATOM 803 CE2 TYR A 60 -8.457 -6.807 6.213 1.00 0.00 C ATOM 804 CZ TYR A 60 -9.676 -7.080 5.580 1.00 0.00 C ATOM 805 OH TYR A 60 -10.287 -8.304 5.757 1.00 0.00 O ATOM 0 H TYR A 60 -10.068 -2.277 4.204 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.592 -2.374 6.806 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.684 -3.027 3.964 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.752 -3.280 5.427 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -10.116 -4.119 3.961 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.896 -5.357 6.522 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.214 -6.318 4.281 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.996 -7.555 6.840 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.739 -8.861 6.348 1.00 0.00 H new ATOM 815 N ILE A 61 -7.020 -0.412 6.305 1.00 0.00 N ATOM 816 CA ILE A 61 -6.366 0.915 6.124 1.00 0.00 C ATOM 817 C ILE A 61 -4.881 0.787 6.463 1.00 0.00 C ATOM 818 O ILE A 61 -4.509 0.632 7.609 1.00 0.00 O ATOM 819 CB ILE A 61 -7.024 1.935 7.062 1.00 0.00 C ATOM 820 CG1 ILE A 61 -7.174 1.322 8.456 1.00 0.00 C ATOM 821 CG2 ILE A 61 -8.410 2.317 6.528 1.00 0.00 C ATOM 822 CD1 ILE A 61 -7.301 2.440 9.494 1.00 0.00 C ATOM 0 H ILE A 61 -6.679 -0.958 7.097 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.478 1.249 5.093 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.399 2.826 7.115 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.053 0.679 8.489 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.312 0.696 8.684 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.871 3.042 7.199 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.309 2.755 5.535 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.036 1.426 6.470 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.408 2.004 10.487 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.409 3.065 9.466 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.177 3.048 9.269 1.00 0.00 H new ATOM 834 N LEU A 62 -4.027 0.831 5.477 1.00 0.00 N ATOM 835 CA LEU A 62 -2.578 0.692 5.750 1.00 0.00 C ATOM 836 C LEU A 62 -1.869 2.029 5.463 1.00 0.00 C ATOM 837 O LEU A 62 -2.297 2.793 4.625 1.00 0.00 O ATOM 838 CB LEU A 62 -2.050 -0.449 4.855 1.00 0.00 C ATOM 839 CG LEU A 62 -1.029 0.049 3.848 1.00 0.00 C ATOM 840 CD1 LEU A 62 0.352 0.031 4.508 1.00 0.00 C ATOM 841 CD2 LEU A 62 -1.047 -0.885 2.647 1.00 0.00 C ATOM 0 H LEU A 62 -4.275 0.957 4.496 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.385 0.448 6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.599 -1.221 5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.884 -0.913 4.328 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.261 1.063 3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.099 0.386 3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.345 0.681 5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.596 -0.987 4.813 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.319 -0.544 1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.793 -1.895 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.042 -0.885 2.201 1.00 0.00 H new ATOM 853 N GLN A 63 -0.781 2.296 6.142 1.00 0.00 N ATOM 854 CA GLN A 63 -0.025 3.568 5.908 1.00 0.00 C ATOM 855 C GLN A 63 1.364 3.195 5.383 1.00 0.00 C ATOM 856 O GLN A 63 2.223 2.785 6.129 1.00 0.00 O ATOM 857 CB GLN A 63 0.115 4.345 7.231 1.00 0.00 C ATOM 858 CG GLN A 63 -0.888 3.815 8.261 1.00 0.00 C ATOM 859 CD GLN A 63 -1.225 4.920 9.264 1.00 0.00 C ATOM 860 OE1 GLN A 63 -0.444 5.213 10.148 1.00 0.00 O ATOM 861 NE2 GLN A 63 -2.363 5.551 9.163 1.00 0.00 N ATOM 0 H GLN A 63 -0.381 1.684 6.853 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.552 4.196 5.190 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.130 4.245 7.615 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.057 5.407 7.058 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.795 3.476 7.760 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.470 2.953 8.781 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.018 5.305 8.421 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.597 6.290 9.826 1.00 0.00 H new ATOM 870 N VAL A 64 1.581 3.291 4.099 1.00 0.00 N ATOM 871 CA VAL A 64 2.879 2.895 3.523 1.00 0.00 C ATOM 872 C VAL A 64 3.783 4.115 3.317 1.00 0.00 C ATOM 873 O VAL A 64 3.325 5.215 3.113 1.00 0.00 O ATOM 874 CB VAL A 64 2.585 2.273 2.152 1.00 0.00 C ATOM 875 CG1 VAL A 64 1.370 1.353 2.239 1.00 0.00 C ATOM 876 CG2 VAL A 64 2.296 3.382 1.132 1.00 0.00 C ATOM 0 H VAL A 64 0.898 3.633 3.423 1.00 0.00 H new ATOM 0 HA VAL A 64 3.386 2.201 4.194 1.00 0.00 H new ATOM 0 HB VAL A 64 3.455 1.696 1.838 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.172 0.918 1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.567 0.557 2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.502 1.927 2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.088 2.936 0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.432 3.961 1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.163 4.038 1.052 1.00 0.00 H new ATOM 886 N GLU A 65 5.064 3.905 3.311 1.00 0.00 N ATOM 887 CA GLU A 65 6.008 5.017 3.047 1.00 0.00 C ATOM 888 C GLU A 65 6.746 4.652 1.759 1.00 0.00 C ATOM 889 O GLU A 65 7.805 4.058 1.788 1.00 0.00 O ATOM 890 CB GLU A 65 7.001 5.140 4.204 1.00 0.00 C ATOM 891 CG GLU A 65 8.067 6.184 3.854 1.00 0.00 C ATOM 892 CD GLU A 65 7.962 7.369 4.817 1.00 0.00 C ATOM 893 OE1 GLU A 65 7.035 7.387 5.609 1.00 0.00 O ATOM 894 OE2 GLU A 65 8.813 8.242 4.746 1.00 0.00 O ATOM 0 H GLU A 65 5.502 3.000 3.480 1.00 0.00 H new ATOM 0 HA GLU A 65 5.488 5.970 2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.479 5.429 5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.471 4.176 4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.060 5.739 3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.934 6.524 2.827 1.00 0.00 H new ATOM 901 N ILE A 66 6.170 4.951 0.626 1.00 0.00 N ATOM 902 CA ILE A 66 6.826 4.557 -0.654 1.00 0.00 C ATOM 903 C ILE A 66 7.772 5.656 -1.143 1.00 0.00 C ATOM 904 O ILE A 66 7.467 6.828 -1.061 1.00 0.00 O ATOM 905 CB ILE A 66 5.759 4.271 -1.717 1.00 0.00 C ATOM 906 CG1 ILE A 66 4.869 5.503 -1.917 1.00 0.00 C ATOM 907 CG2 ILE A 66 4.901 3.087 -1.259 1.00 0.00 C ATOM 908 CD1 ILE A 66 3.707 5.149 -2.851 1.00 0.00 C ATOM 0 H ILE A 66 5.283 5.446 0.531 1.00 0.00 H new ATOM 0 HA ILE A 66 7.413 3.655 -0.479 1.00 0.00 H new ATOM 0 HB ILE A 66 6.247 4.032 -2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.485 5.847 -0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 66 5.452 6.321 -2.339 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.139 2.877 -2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.533 2.209 -1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.419 3.331 -0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.074 6.025 -2.993 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.100 4.825 -3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.118 4.344 -2.411 1.00 0.00 H new ATOM 920 N GLY A 67 8.925 5.288 -1.650 1.00 0.00 N ATOM 921 CA GLY A 67 9.879 6.317 -2.134 1.00 0.00 C ATOM 922 C GLY A 67 10.327 5.994 -3.561 1.00 0.00 C ATOM 923 O GLY A 67 10.116 4.904 -4.073 1.00 0.00 O ATOM 0 H GLY A 67 9.239 4.322 -1.746 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.409 7.300 -2.106 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.745 6.359 -1.474 1.00 0.00 H new ATOM 927 N ARG A 68 10.957 6.943 -4.201 1.00 0.00 N ATOM 928 CA ARG A 68 11.444 6.728 -5.593 1.00 0.00 C ATOM 929 C ARG A 68 12.971 6.826 -5.594 1.00 0.00 C ATOM 930 O ARG A 68 13.565 7.131 -4.585 1.00 0.00 O ATOM 931 CB ARG A 68 10.863 7.803 -6.513 1.00 0.00 C ATOM 932 CG ARG A 68 9.400 8.052 -6.144 1.00 0.00 C ATOM 933 CD ARG A 68 8.581 8.259 -7.420 1.00 0.00 C ATOM 934 NE ARG A 68 7.748 7.052 -7.676 1.00 0.00 N ATOM 935 CZ ARG A 68 6.544 6.974 -7.179 1.00 0.00 C ATOM 936 NH1 ARG A 68 6.375 6.705 -5.912 1.00 0.00 N ATOM 937 NH2 ARG A 68 5.509 7.163 -7.950 1.00 0.00 N ATOM 0 H ARG A 68 11.156 7.866 -3.815 1.00 0.00 H new ATOM 0 HA ARG A 68 11.130 5.747 -5.950 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.435 8.726 -6.419 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.938 7.486 -7.553 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.007 7.206 -5.580 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.320 8.929 -5.501 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.945 9.138 -7.318 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.245 8.442 -8.265 1.00 0.00 H new ATOM 0 HE ARG A 68 8.118 6.287 -8.239 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.185 6.556 -5.310 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.433 6.644 -5.525 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.642 7.371 -8.940 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.567 7.102 -7.563 1.00 0.00 H new ATOM 951 N THR A 69 13.613 6.588 -6.713 1.00 0.00 N ATOM 952 CA THR A 69 15.102 6.684 -6.747 1.00 0.00 C ATOM 953 C THR A 69 15.546 7.213 -8.130 1.00 0.00 C ATOM 954 O THR A 69 14.770 7.200 -9.079 1.00 0.00 O ATOM 955 CB THR A 69 15.746 5.312 -6.475 1.00 0.00 C ATOM 956 OG1 THR A 69 16.699 5.024 -7.488 1.00 0.00 O ATOM 957 CG2 THR A 69 14.676 4.215 -6.448 1.00 0.00 C ATOM 0 H THR A 69 13.172 6.333 -7.597 1.00 0.00 H new ATOM 0 HA THR A 69 15.430 7.372 -5.967 1.00 0.00 H new ATOM 0 HB THR A 69 16.241 5.343 -5.505 1.00 0.00 H new ATOM 0 HG1 THR A 69 16.263 5.056 -8.365 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.148 3.251 -6.255 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.954 4.430 -5.660 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.164 4.182 -7.410 1.00 0.00 H new ATOM 965 N THR A 70 16.780 7.685 -8.258 1.00 0.00 N ATOM 966 CA THR A 70 17.243 8.238 -9.566 1.00 0.00 C ATOM 967 C THR A 70 17.766 7.131 -10.490 1.00 0.00 C ATOM 968 O THR A 70 18.703 7.346 -11.235 1.00 0.00 O ATOM 969 CB THR A 70 18.373 9.238 -9.305 1.00 0.00 C ATOM 970 OG1 THR A 70 18.594 10.013 -10.476 1.00 0.00 O ATOM 971 CG2 THR A 70 19.656 8.489 -8.937 1.00 0.00 C ATOM 0 H THR A 70 17.474 7.706 -7.510 1.00 0.00 H new ATOM 0 HA THR A 70 16.397 8.721 -10.054 1.00 0.00 H new ATOM 0 HB THR A 70 18.093 9.892 -8.479 1.00 0.00 H new ATOM 0 HG1 THR A 70 18.776 9.418 -11.233 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.456 9.206 -8.753 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.486 7.896 -8.038 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.941 7.831 -9.758 1.00 0.00 H new ATOM 979 N CYS A 71 17.180 5.963 -10.491 1.00 0.00 N ATOM 980 CA CYS A 71 17.695 4.910 -11.432 1.00 0.00 C ATOM 981 C CYS A 71 16.548 4.467 -12.347 1.00 0.00 C ATOM 982 O CYS A 71 15.418 4.410 -11.912 1.00 0.00 O ATOM 983 CB CYS A 71 18.249 3.691 -10.667 1.00 0.00 C ATOM 984 SG CYS A 71 19.235 4.254 -9.257 1.00 0.00 S ATOM 0 H CYS A 71 16.392 5.692 -9.903 1.00 0.00 H new ATOM 0 HA CYS A 71 18.511 5.333 -12.018 1.00 0.00 H new ATOM 0 HB2 CYS A 71 17.428 3.062 -10.322 1.00 0.00 H new ATOM 0 HB3 CYS A 71 18.861 3.080 -11.331 1.00 0.00 H new ATOM 989 N PRO A 72 16.857 4.171 -13.590 1.00 0.00 N ATOM 990 CA PRO A 72 15.836 3.738 -14.587 1.00 0.00 C ATOM 991 C PRO A 72 15.492 2.263 -14.396 1.00 0.00 C ATOM 992 O PRO A 72 15.886 1.411 -15.167 1.00 0.00 O ATOM 993 CB PRO A 72 16.518 3.982 -15.919 1.00 0.00 C ATOM 994 CG PRO A 72 18.020 3.969 -15.668 1.00 0.00 C ATOM 995 CD PRO A 72 18.243 4.219 -14.171 1.00 0.00 C ATOM 0 HA PRO A 72 14.891 4.273 -14.499 1.00 0.00 H new ATOM 0 HB2 PRO A 72 16.242 3.211 -16.639 1.00 0.00 H new ATOM 0 HB3 PRO A 72 16.207 4.938 -16.340 1.00 0.00 H new ATOM 0 HG2 PRO A 72 18.449 3.012 -15.964 1.00 0.00 H new ATOM 0 HG3 PRO A 72 18.514 4.738 -16.262 1.00 0.00 H new ATOM 0 HD2 PRO A 72 18.888 3.459 -13.730 1.00 0.00 H new ATOM 0 HD3 PRO A 72 18.718 5.183 -13.993 1.00 0.00 H new ATOM 1003 N LYS A 73 14.754 1.966 -13.369 1.00 0.00 N ATOM 1004 CA LYS A 73 14.364 0.549 -13.103 1.00 0.00 C ATOM 1005 C LYS A 73 15.613 -0.296 -12.837 1.00 0.00 C ATOM 1006 O LYS A 73 15.567 -1.510 -12.834 1.00 0.00 O ATOM 1007 CB LYS A 73 13.614 -0.010 -14.318 1.00 0.00 C ATOM 1008 CG LYS A 73 13.369 -1.508 -14.123 1.00 0.00 C ATOM 1009 CD LYS A 73 12.092 -1.920 -14.859 1.00 0.00 C ATOM 1010 CE LYS A 73 12.146 -3.415 -15.176 1.00 0.00 C ATOM 1011 NZ LYS A 73 11.554 -4.187 -14.045 1.00 0.00 N ATOM 0 H LYS A 73 14.399 2.645 -12.695 1.00 0.00 H new ATOM 0 HA LYS A 73 13.717 0.513 -12.226 1.00 0.00 H new ATOM 0 HB2 LYS A 73 12.665 0.511 -14.444 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.193 0.159 -15.226 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.218 -2.078 -14.501 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.279 -1.737 -13.061 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.219 -1.699 -14.246 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.989 -1.346 -15.780 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.600 -3.622 -16.096 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.178 -3.725 -15.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.591 -5.204 -14.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.093 -3.998 -13.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.564 -3.898 -13.908 1.00 0.00 H new ATOM 1025 N SER A 74 16.732 0.332 -12.608 1.00 0.00 N ATOM 1026 CA SER A 74 17.979 -0.448 -12.338 1.00 0.00 C ATOM 1027 C SER A 74 18.436 -0.209 -10.894 1.00 0.00 C ATOM 1028 O SER A 74 19.611 -0.060 -10.627 1.00 0.00 O ATOM 1029 CB SER A 74 19.080 0.003 -13.298 1.00 0.00 C ATOM 1030 OG SER A 74 18.958 1.395 -13.536 1.00 0.00 O ATOM 0 H SER A 74 16.841 1.346 -12.595 1.00 0.00 H new ATOM 0 HA SER A 74 17.778 -1.509 -12.483 1.00 0.00 H new ATOM 0 HB2 SER A 74 20.060 -0.220 -12.875 1.00 0.00 H new ATOM 0 HB3 SER A 74 19.006 -0.545 -14.237 1.00 0.00 H new ATOM 0 HG SER A 74 19.783 1.731 -13.945 1.00 0.00 H new ATOM 1036 N SER A 75 17.523 -0.172 -9.958 1.00 0.00 N ATOM 1037 CA SER A 75 17.928 0.057 -8.533 1.00 0.00 C ATOM 1038 C SER A 75 18.081 -1.295 -7.833 1.00 0.00 C ATOM 1039 O SER A 75 17.554 -1.511 -6.760 1.00 0.00 O ATOM 1040 CB SER A 75 16.849 0.879 -7.824 1.00 0.00 C ATOM 1041 OG SER A 75 15.658 0.111 -7.721 1.00 0.00 O ATOM 0 H SER A 75 16.522 -0.289 -10.114 1.00 0.00 H new ATOM 0 HA SER A 75 18.874 0.597 -8.501 1.00 0.00 H new ATOM 0 HB2 SER A 75 17.193 1.171 -6.832 1.00 0.00 H new ATOM 0 HB3 SER A 75 16.655 1.798 -8.377 1.00 0.00 H new ATOM 0 HG SER A 75 15.789 -0.611 -7.071 1.00 0.00 H new ATOM 1047 N GLY A 76 18.800 -2.207 -8.432 1.00 0.00 N ATOM 1048 CA GLY A 76 18.985 -3.543 -7.801 1.00 0.00 C ATOM 1049 C GLY A 76 19.545 -3.365 -6.387 1.00 0.00 C ATOM 1050 O GLY A 76 19.711 -2.261 -5.909 1.00 0.00 O ATOM 0 H GLY A 76 19.266 -2.083 -9.331 1.00 0.00 H new ATOM 0 HA2 GLY A 76 18.034 -4.074 -7.763 1.00 0.00 H new ATOM 0 HA3 GLY A 76 19.665 -4.149 -8.400 1.00 0.00 H new ATOM 1054 N ASP A 77 19.841 -4.445 -5.717 1.00 0.00 N ATOM 1055 CA ASP A 77 20.390 -4.340 -4.336 1.00 0.00 C ATOM 1056 C ASP A 77 21.888 -4.654 -4.359 1.00 0.00 C ATOM 1057 O ASP A 77 22.455 -4.928 -5.398 1.00 0.00 O ATOM 1058 CB ASP A 77 19.675 -5.330 -3.405 1.00 0.00 C ATOM 1059 CG ASP A 77 19.041 -6.463 -4.220 1.00 0.00 C ATOM 1060 OD1 ASP A 77 18.086 -6.193 -4.928 1.00 0.00 O ATOM 1061 OD2 ASP A 77 19.521 -7.580 -4.117 1.00 0.00 O ATOM 0 H ASP A 77 19.726 -5.396 -6.067 1.00 0.00 H new ATOM 0 HA ASP A 77 20.231 -3.327 -3.966 1.00 0.00 H new ATOM 0 HB2 ASP A 77 20.384 -5.742 -2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 77 18.907 -4.811 -2.832 1.00 0.00 H new ATOM 1066 N LEU A 78 22.531 -4.614 -3.222 1.00 0.00 N ATOM 1067 CA LEU A 78 23.987 -4.908 -3.177 1.00 0.00 C ATOM 1068 C LEU A 78 24.685 -4.214 -4.351 1.00 0.00 C ATOM 1069 O LEU A 78 25.365 -4.840 -5.139 1.00 0.00 O ATOM 1070 CB LEU A 78 24.195 -6.418 -3.269 1.00 0.00 C ATOM 1071 CG LEU A 78 23.714 -7.077 -1.974 1.00 0.00 C ATOM 1072 CD1 LEU A 78 22.188 -6.989 -1.889 1.00 0.00 C ATOM 1073 CD2 LEU A 78 24.139 -8.548 -1.959 1.00 0.00 C ATOM 0 H LEU A 78 22.107 -4.389 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 78 24.410 -4.539 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 78 23.646 -6.821 -4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 78 25.249 -6.642 -3.434 1.00 0.00 H new ATOM 0 HG LEU A 78 24.156 -6.561 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 78 21.847 -7.459 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 78 21.883 -5.943 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 78 21.746 -7.503 -2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 78 23.796 -9.016 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 78 23.698 -9.063 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 78 25.225 -8.613 -2.017 1.00 0.00 H new ATOM 1085 N GLN A 79 24.519 -2.924 -4.471 1.00 0.00 N ATOM 1086 CA GLN A 79 25.173 -2.185 -5.593 1.00 0.00 C ATOM 1087 C GLN A 79 25.280 -0.708 -5.234 1.00 0.00 C ATOM 1088 O GLN A 79 26.272 -0.254 -4.698 1.00 0.00 O ATOM 1089 CB GLN A 79 24.353 -2.341 -6.874 1.00 0.00 C ATOM 1090 CG GLN A 79 25.130 -3.195 -7.876 1.00 0.00 C ATOM 1091 CD GLN A 79 26.391 -2.446 -8.316 1.00 0.00 C ATOM 1092 OE1 GLN A 79 27.514 -2.660 -7.686 1.00 0.00 O flip ATOM 1093 NE2 GLN A 79 26.353 -1.658 -9.240 1.00 0.00 N flip ATOM 0 H GLN A 79 23.959 -2.349 -3.841 1.00 0.00 H new ATOM 0 HA GLN A 79 26.169 -2.596 -5.757 1.00 0.00 H new ATOM 0 HB2 GLN A 79 23.394 -2.807 -6.650 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.139 -1.362 -7.303 1.00 0.00 H new ATOM 0 HG2 GLN A 79 25.400 -4.149 -7.424 1.00 0.00 H new ATOM 0 HG3 GLN A 79 24.506 -3.418 -8.741 1.00 0.00 H new ATOM 0 HE21 GLN A 79 25.475 -1.491 -9.732 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.199 -1.163 -9.524 1.00 0.00 H new ATOM 1102 N SER A 80 24.264 0.042 -5.525 1.00 0.00 N ATOM 1103 CA SER A 80 24.293 1.499 -5.208 1.00 0.00 C ATOM 1104 C SER A 80 22.903 2.112 -5.448 1.00 0.00 C ATOM 1105 O SER A 80 21.925 1.682 -4.868 1.00 0.00 O ATOM 1106 CB SER A 80 25.340 2.183 -6.091 1.00 0.00 C ATOM 1107 OG SER A 80 25.575 3.499 -5.614 1.00 0.00 O ATOM 0 H SER A 80 23.408 -0.287 -5.971 1.00 0.00 H new ATOM 0 HA SER A 80 24.558 1.645 -4.161 1.00 0.00 H new ATOM 0 HB2 SER A 80 26.268 1.611 -6.083 1.00 0.00 H new ATOM 0 HB3 SER A 80 24.994 2.216 -7.124 1.00 0.00 H new ATOM 0 HG SER A 80 26.246 3.936 -6.178 1.00 0.00 H new ATOM 1113 N CYS A 81 22.802 3.120 -6.281 1.00 0.00 N ATOM 1114 CA CYS A 81 21.469 3.754 -6.534 1.00 0.00 C ATOM 1115 C CYS A 81 20.990 4.442 -5.252 1.00 0.00 C ATOM 1116 O CYS A 81 21.461 4.149 -4.172 1.00 0.00 O ATOM 1117 CB CYS A 81 20.445 2.691 -6.960 1.00 0.00 C ATOM 1118 SG CYS A 81 20.351 2.641 -8.768 1.00 0.00 S ATOM 0 H CYS A 81 23.582 3.530 -6.795 1.00 0.00 H new ATOM 0 HA CYS A 81 21.567 4.487 -7.335 1.00 0.00 H new ATOM 0 HB2 CYS A 81 20.735 1.714 -6.572 1.00 0.00 H new ATOM 0 HB3 CYS A 81 19.466 2.923 -6.540 1.00 0.00 H new ATOM 1123 N GLU A 82 20.061 5.357 -5.357 1.00 0.00 N ATOM 1124 CA GLU A 82 19.571 6.055 -4.135 1.00 0.00 C ATOM 1125 C GLU A 82 18.189 6.653 -4.405 1.00 0.00 C ATOM 1126 O GLU A 82 17.849 6.989 -5.530 1.00 0.00 O ATOM 1127 CB GLU A 82 20.545 7.180 -3.767 1.00 0.00 C ATOM 1128 CG GLU A 82 21.955 6.607 -3.620 1.00 0.00 C ATOM 1129 CD GLU A 82 22.893 7.693 -3.088 1.00 0.00 C ATOM 1130 OE1 GLU A 82 22.425 8.543 -2.348 1.00 0.00 O ATOM 1131 OE2 GLU A 82 24.065 7.656 -3.429 1.00 0.00 O ATOM 0 H GLU A 82 19.624 5.648 -6.231 1.00 0.00 H new ATOM 0 HA GLU A 82 19.505 5.342 -3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 82 20.533 7.952 -4.537 1.00 0.00 H new ATOM 0 HB3 GLU A 82 20.235 7.654 -2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 82 21.944 5.755 -2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 82 22.313 6.242 -4.582 1.00 0.00 H new ATOM 1138 N PHE A 83 17.381 6.788 -3.381 1.00 0.00 N ATOM 1139 CA PHE A 83 16.012 7.367 -3.596 1.00 0.00 C ATOM 1140 C PHE A 83 16.119 8.703 -4.358 1.00 0.00 C ATOM 1141 O PHE A 83 15.152 9.175 -4.917 1.00 0.00 O ATOM 1142 CB PHE A 83 15.241 7.577 -2.276 1.00 0.00 C ATOM 1143 CG PHE A 83 14.793 6.227 -1.722 1.00 0.00 C ATOM 1144 CD1 PHE A 83 15.700 5.391 -1.054 1.00 0.00 C ATOM 1145 CD2 PHE A 83 13.459 5.814 -1.881 1.00 0.00 C ATOM 1146 CE1 PHE A 83 15.275 4.153 -0.547 1.00 0.00 C ATOM 1147 CE2 PHE A 83 13.035 4.579 -1.372 1.00 0.00 C ATOM 1148 CZ PHE A 83 13.942 3.749 -0.703 1.00 0.00 C ATOM 0 H PHE A 83 17.602 6.528 -2.420 1.00 0.00 H new ATOM 0 HA PHE A 83 15.449 6.645 -4.186 1.00 0.00 H new ATOM 0 HB2 PHE A 83 15.875 8.087 -1.550 1.00 0.00 H new ATOM 0 HB3 PHE A 83 14.375 8.216 -2.447 1.00 0.00 H new ATOM 0 HD1 PHE A 83 16.727 5.700 -0.930 1.00 0.00 H new ATOM 0 HD2 PHE A 83 12.757 6.452 -2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 83 15.977 3.511 -0.036 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.008 4.268 -1.496 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.615 2.799 -0.308 1.00 0.00 H new ATOM 1158 N HIS A 84 17.294 9.282 -4.416 1.00 0.00 N ATOM 1159 CA HIS A 84 17.509 10.555 -5.184 1.00 0.00 C ATOM 1160 C HIS A 84 17.127 11.813 -4.386 1.00 0.00 C ATOM 1161 O HIS A 84 16.233 12.534 -4.776 1.00 0.00 O ATOM 1162 CB HIS A 84 16.683 10.528 -6.475 1.00 0.00 C ATOM 1163 CG HIS A 84 17.087 11.682 -7.351 1.00 0.00 C ATOM 1164 ND1 HIS A 84 18.392 12.141 -7.417 1.00 0.00 N ATOM 1165 CD2 HIS A 84 16.366 12.479 -8.205 1.00 0.00 C ATOM 1166 CE1 HIS A 84 18.417 13.171 -8.283 1.00 0.00 C ATOM 1167 NE2 HIS A 84 17.207 13.418 -8.792 1.00 0.00 N ATOM 0 H HIS A 84 18.130 8.921 -3.956 1.00 0.00 H new ATOM 0 HA HIS A 84 18.576 10.609 -5.400 1.00 0.00 H new ATOM 0 HB2 HIS A 84 16.840 9.586 -7.000 1.00 0.00 H new ATOM 0 HB3 HIS A 84 15.620 10.589 -6.241 1.00 0.00 H new ATOM 0 HD2 HIS A 84 15.306 12.390 -8.393 1.00 0.00 H new ATOM 0 HE1 HIS A 84 19.306 13.729 -8.535 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.954 14.140 -9.466 1.00 0.00 H new ATOM 1175 N ASP A 85 17.827 12.123 -3.317 1.00 0.00 N ATOM 1176 CA ASP A 85 17.514 13.382 -2.559 1.00 0.00 C ATOM 1177 C ASP A 85 18.322 13.462 -1.250 1.00 0.00 C ATOM 1178 O ASP A 85 19.469 13.865 -1.248 1.00 0.00 O ATOM 1179 CB ASP A 85 16.015 13.482 -2.243 1.00 0.00 C ATOM 1180 CG ASP A 85 15.737 14.855 -1.623 1.00 0.00 C ATOM 1181 OD1 ASP A 85 16.238 15.833 -2.156 1.00 0.00 O ATOM 1182 OD2 ASP A 85 15.033 14.911 -0.631 1.00 0.00 O ATOM 0 H ASP A 85 18.593 11.566 -2.939 1.00 0.00 H new ATOM 0 HA ASP A 85 17.797 14.218 -3.198 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.427 13.351 -3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 85 15.720 12.690 -1.555 1.00 0.00 H new ATOM 1187 N GLU A 86 17.729 13.108 -0.135 1.00 0.00 N ATOM 1188 CA GLU A 86 18.455 13.192 1.172 1.00 0.00 C ATOM 1189 C GLU A 86 17.962 12.043 2.108 1.00 0.00 C ATOM 1190 O GLU A 86 17.644 10.985 1.601 1.00 0.00 O ATOM 1191 CB GLU A 86 18.233 14.599 1.756 1.00 0.00 C ATOM 1192 CG GLU A 86 18.253 15.634 0.628 1.00 0.00 C ATOM 1193 CD GLU A 86 18.203 17.039 1.230 1.00 0.00 C ATOM 1194 OE1 GLU A 86 17.326 17.284 2.042 1.00 0.00 O ATOM 1195 OE2 GLU A 86 19.044 17.847 0.869 1.00 0.00 O ATOM 0 H GLU A 86 16.771 12.764 -0.074 1.00 0.00 H new ATOM 0 HA GLU A 86 19.529 13.053 1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.279 14.639 2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.010 14.827 2.486 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.154 15.516 0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.403 15.480 -0.037 1.00 0.00 H new ATOM 1202 N PRO A 87 17.939 12.217 3.431 1.00 0.00 N ATOM 1203 CA PRO A 87 17.522 11.115 4.372 1.00 0.00 C ATOM 1204 C PRO A 87 15.999 10.869 4.467 1.00 0.00 C ATOM 1205 O PRO A 87 15.289 10.976 3.494 1.00 0.00 O ATOM 1206 CB PRO A 87 18.121 11.556 5.705 1.00 0.00 C ATOM 1207 CG PRO A 87 18.305 13.063 5.643 1.00 0.00 C ATOM 1208 CD PRO A 87 18.330 13.467 4.168 1.00 0.00 C ATOM 0 HA PRO A 87 17.878 10.146 4.022 1.00 0.00 H new ATOM 0 HB2 PRO A 87 17.464 11.283 6.530 1.00 0.00 H new ATOM 0 HB3 PRO A 87 19.075 11.059 5.880 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.493 13.569 6.165 1.00 0.00 H new ATOM 0 HG3 PRO A 87 19.232 13.356 6.136 1.00 0.00 H new ATOM 0 HD2 PRO A 87 17.633 14.281 3.967 1.00 0.00 H new ATOM 0 HD3 PRO A 87 19.319 13.812 3.867 1.00 0.00 H new ATOM 1216 N GLU A 88 15.524 10.454 5.634 1.00 0.00 N ATOM 1217 CA GLU A 88 14.067 10.113 5.824 1.00 0.00 C ATOM 1218 C GLU A 88 13.164 11.284 5.437 1.00 0.00 C ATOM 1219 O GLU A 88 12.096 11.094 4.891 1.00 0.00 O ATOM 1220 CB GLU A 88 13.828 9.718 7.294 1.00 0.00 C ATOM 1221 CG GLU A 88 13.501 10.953 8.149 1.00 0.00 C ATOM 1222 CD GLU A 88 14.007 10.728 9.577 1.00 0.00 C ATOM 1223 OE1 GLU A 88 13.330 10.038 10.322 1.00 0.00 O ATOM 1224 OE2 GLU A 88 15.061 11.249 9.901 1.00 0.00 O ATOM 0 H GLU A 88 16.095 10.337 6.471 1.00 0.00 H new ATOM 0 HA GLU A 88 13.817 9.277 5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.008 9.002 7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.714 9.221 7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.968 11.840 7.721 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.426 11.131 8.156 1.00 0.00 H new ATOM 1231 N MET A 89 13.580 12.487 5.686 1.00 0.00 N ATOM 1232 CA MET A 89 12.733 13.651 5.299 1.00 0.00 C ATOM 1233 C MET A 89 13.061 14.011 3.852 1.00 0.00 C ATOM 1234 O MET A 89 12.855 15.124 3.408 1.00 0.00 O ATOM 1235 CB MET A 89 13.042 14.843 6.207 1.00 0.00 C ATOM 1236 CG MET A 89 13.427 14.335 7.599 1.00 0.00 C ATOM 1237 SD MET A 89 13.316 15.692 8.789 1.00 0.00 S ATOM 1238 CE MET A 89 12.439 14.777 10.082 1.00 0.00 C ATOM 0 H MET A 89 14.464 12.720 6.138 1.00 0.00 H new ATOM 0 HA MET A 89 11.677 13.400 5.400 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.855 15.434 5.786 1.00 0.00 H new ATOM 0 HB3 MET A 89 12.173 15.498 6.274 1.00 0.00 H new ATOM 0 HG2 MET A 89 12.765 13.521 7.897 1.00 0.00 H new ATOM 0 HG3 MET A 89 14.440 13.933 7.584 1.00 0.00 H new ATOM 0 HE1 MET A 89 12.260 15.433 10.934 1.00 0.00 H new ATOM 0 HE2 MET A 89 11.486 14.420 9.692 1.00 0.00 H new ATOM 0 HE3 MET A 89 13.043 13.927 10.399 1.00 0.00 H new ATOM 1248 N ALA A 90 13.611 13.074 3.129 1.00 0.00 N ATOM 1249 CA ALA A 90 14.007 13.333 1.730 1.00 0.00 C ATOM 1250 C ALA A 90 13.522 12.212 0.808 1.00 0.00 C ATOM 1251 O ALA A 90 13.286 11.106 1.244 1.00 0.00 O ATOM 1252 CB ALA A 90 15.525 13.333 1.699 1.00 0.00 C ATOM 0 H ALA A 90 13.802 12.128 3.460 1.00 0.00 H new ATOM 0 HA ALA A 90 13.576 14.276 1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 90 15.868 13.521 0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 90 15.902 14.114 2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 90 15.896 12.364 2.034 1.00 0.00 H new ATOM 1258 N LYS A 91 13.431 12.493 -0.473 1.00 0.00 N ATOM 1259 CA LYS A 91 13.024 11.467 -1.480 1.00 0.00 C ATOM 1260 C LYS A 91 12.144 10.394 -0.850 1.00 0.00 C ATOM 1261 O LYS A 91 12.597 9.314 -0.528 1.00 0.00 O ATOM 1262 CB LYS A 91 14.283 10.815 -2.070 1.00 0.00 C ATOM 1263 CG LYS A 91 15.207 10.341 -0.938 1.00 0.00 C ATOM 1264 CD LYS A 91 16.650 10.286 -1.436 1.00 0.00 C ATOM 1265 CE LYS A 91 17.479 9.399 -0.502 1.00 0.00 C ATOM 1266 NZ LYS A 91 18.821 10.012 -0.293 1.00 0.00 N ATOM 0 H LYS A 91 13.627 13.413 -0.867 1.00 0.00 H new ATOM 0 HA LYS A 91 12.450 11.960 -2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.004 9.971 -2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.808 11.528 -2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 91 15.132 11.018 -0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 91 14.895 9.356 -0.590 1.00 0.00 H new ATOM 0 HD2 LYS A 91 16.681 9.892 -2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 91 17.072 11.290 -1.471 1.00 0.00 H new ATOM 0 HE2 LYS A 91 16.968 9.282 0.454 1.00 0.00 H new ATOM 0 HE3 LYS A 91 17.586 8.402 -0.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 19.547 9.267 -0.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.017 10.687 -1.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.837 10.510 0.620 1.00 0.00 H new ATOM 1280 N TYR A 92 10.883 10.675 -0.696 1.00 0.00 N ATOM 1281 CA TYR A 92 9.963 9.659 -0.105 1.00 0.00 C ATOM 1282 C TYR A 92 8.514 10.065 -0.372 1.00 0.00 C ATOM 1283 O TYR A 92 8.241 11.148 -0.849 1.00 0.00 O ATOM 1284 CB TYR A 92 10.185 9.528 1.409 1.00 0.00 C ATOM 1285 CG TYR A 92 11.436 8.684 1.660 1.00 0.00 C ATOM 1286 CD1 TYR A 92 11.625 7.470 0.974 1.00 0.00 C ATOM 1287 CD2 TYR A 92 12.415 9.109 2.579 1.00 0.00 C ATOM 1288 CE1 TYR A 92 12.770 6.698 1.205 1.00 0.00 C ATOM 1289 CE2 TYR A 92 13.557 8.334 2.803 1.00 0.00 C ATOM 1290 CZ TYR A 92 13.733 7.128 2.120 1.00 0.00 C ATOM 1291 OH TYR A 92 14.860 6.364 2.345 1.00 0.00 O ATOM 0 H TYR A 92 10.447 11.561 -0.952 1.00 0.00 H new ATOM 0 HA TYR A 92 10.172 8.695 -0.570 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.300 10.514 1.859 1.00 0.00 H new ATOM 0 HB3 TYR A 92 9.317 9.063 1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 92 10.883 7.132 0.266 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.283 10.038 3.113 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.909 5.768 0.674 1.00 0.00 H new ATOM 0 HE2 TYR A 92 14.305 8.669 3.506 1.00 0.00 H new ATOM 0 HH TYR A 92 15.202 6.026 1.491 1.00 0.00 H new ATOM 1301 N THR A 93 7.583 9.202 -0.072 1.00 0.00 N ATOM 1302 CA THR A 93 6.154 9.541 -0.315 1.00 0.00 C ATOM 1303 C THR A 93 5.262 8.726 0.625 1.00 0.00 C ATOM 1304 O THR A 93 5.222 7.507 0.568 1.00 0.00 O ATOM 1305 CB THR A 93 5.792 9.218 -1.766 1.00 0.00 C ATOM 1306 OG1 THR A 93 6.964 9.274 -2.568 1.00 0.00 O ATOM 1307 CG2 THR A 93 4.772 10.238 -2.278 1.00 0.00 C ATOM 0 H THR A 93 7.750 8.279 0.330 1.00 0.00 H new ATOM 0 HA THR A 93 6.000 10.604 -0.128 1.00 0.00 H new ATOM 0 HB THR A 93 5.361 8.218 -1.820 1.00 0.00 H new ATOM 0 HG1 THR A 93 7.500 8.467 -2.421 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.514 10.008 -3.312 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.874 10.195 -1.662 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.200 11.239 -2.225 1.00 0.00 H new ATOM 1315 N THR A 94 4.538 9.393 1.482 1.00 0.00 N ATOM 1316 CA THR A 94 3.636 8.673 2.422 1.00 0.00 C ATOM 1317 C THR A 94 2.309 8.396 1.711 1.00 0.00 C ATOM 1318 O THR A 94 1.876 9.168 0.879 1.00 0.00 O ATOM 1319 CB THR A 94 3.398 9.546 3.661 1.00 0.00 C ATOM 1320 OG1 THR A 94 2.884 8.741 4.713 1.00 0.00 O ATOM 1321 CG2 THR A 94 2.395 10.655 3.333 1.00 0.00 C ATOM 0 H THR A 94 4.533 10.409 1.571 1.00 0.00 H new ATOM 0 HA THR A 94 4.086 7.730 2.734 1.00 0.00 H new ATOM 0 HB THR A 94 4.342 9.996 3.969 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.733 9.297 5.506 1.00 0.00 H new ATOM 0 HG21 THR A 94 2.231 11.271 4.217 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.788 11.275 2.527 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.450 10.210 3.020 1.00 0.00 H new ATOM 1329 N CYS A 95 1.654 7.314 2.028 1.00 0.00 N ATOM 1330 CA CYS A 95 0.355 7.018 1.359 1.00 0.00 C ATOM 1331 C CYS A 95 -0.428 6.052 2.244 1.00 0.00 C ATOM 1332 O CYS A 95 0.127 5.437 3.129 1.00 0.00 O ATOM 1333 CB CYS A 95 0.602 6.376 -0.016 1.00 0.00 C ATOM 1334 SG CYS A 95 -0.976 6.169 -0.882 1.00 0.00 S ATOM 0 H CYS A 95 1.959 6.626 2.716 1.00 0.00 H new ATOM 0 HA CYS A 95 -0.207 7.941 1.214 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.273 7.001 -0.605 1.00 0.00 H new ATOM 0 HB3 CYS A 95 1.091 5.410 0.105 1.00 0.00 H new ATOM 1339 N THR A 96 -1.705 5.907 2.030 1.00 0.00 N ATOM 1340 CA THR A 96 -2.474 4.966 2.891 1.00 0.00 C ATOM 1341 C THR A 96 -3.462 4.173 2.036 1.00 0.00 C ATOM 1342 O THR A 96 -4.300 4.733 1.366 1.00 0.00 O ATOM 1343 CB THR A 96 -3.229 5.751 3.966 1.00 0.00 C ATOM 1344 OG1 THR A 96 -2.309 6.542 4.706 1.00 0.00 O ATOM 1345 CG2 THR A 96 -3.938 4.777 4.907 1.00 0.00 C ATOM 0 H THR A 96 -2.242 6.389 1.310 1.00 0.00 H new ATOM 0 HA THR A 96 -1.784 4.273 3.373 1.00 0.00 H new ATOM 0 HB THR A 96 -3.967 6.398 3.493 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.791 7.047 5.394 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.476 5.337 5.672 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.643 4.170 4.339 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.202 4.129 5.382 1.00 0.00 H new ATOM 1353 N PHE A 97 -3.368 2.872 2.049 1.00 0.00 N ATOM 1354 CA PHE A 97 -4.314 2.063 1.218 1.00 0.00 C ATOM 1355 C PHE A 97 -5.613 1.836 1.985 1.00 0.00 C ATOM 1356 O PHE A 97 -5.624 1.746 3.194 1.00 0.00 O ATOM 1357 CB PHE A 97 -3.714 0.692 0.881 1.00 0.00 C ATOM 1358 CG PHE A 97 -2.347 0.836 0.255 1.00 0.00 C ATOM 1359 CD1 PHE A 97 -1.827 2.098 -0.061 1.00 0.00 C ATOM 1360 CD2 PHE A 97 -1.601 -0.314 -0.015 1.00 0.00 C ATOM 1361 CE1 PHE A 97 -0.560 2.204 -0.645 1.00 0.00 C ATOM 1362 CE2 PHE A 97 -0.337 -0.209 -0.601 1.00 0.00 C ATOM 1363 CZ PHE A 97 0.186 1.050 -0.917 1.00 0.00 C ATOM 0 H PHE A 97 -2.689 2.337 2.590 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.503 2.615 0.297 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.641 0.091 1.787 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.376 0.160 0.198 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.403 2.988 0.146 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.002 -1.286 0.230 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.157 3.176 -0.886 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.237 -1.100 -0.810 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.163 1.132 -1.370 1.00 0.00 H new ATOM 1373 N VAL A 98 -6.712 1.724 1.293 1.00 0.00 N ATOM 1374 CA VAL A 98 -7.996 1.476 1.994 1.00 0.00 C ATOM 1375 C VAL A 98 -8.728 0.337 1.277 1.00 0.00 C ATOM 1376 O VAL A 98 -9.279 0.522 0.210 1.00 0.00 O ATOM 1377 CB VAL A 98 -8.846 2.745 1.961 1.00 0.00 C ATOM 1378 CG1 VAL A 98 -10.026 2.592 2.924 1.00 0.00 C ATOM 1379 CG2 VAL A 98 -7.997 3.945 2.386 1.00 0.00 C ATOM 0 H VAL A 98 -6.774 1.793 0.277 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.814 1.201 3.033 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.217 2.905 0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.634 3.497 2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.634 1.739 2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.652 2.431 3.935 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.606 4.849 2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.624 3.786 3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.156 4.056 1.702 1.00 0.00 H new ATOM 1389 N VAL A 99 -8.728 -0.844 1.840 1.00 0.00 N ATOM 1390 CA VAL A 99 -9.412 -1.986 1.167 1.00 0.00 C ATOM 1391 C VAL A 99 -10.873 -2.056 1.608 1.00 0.00 C ATOM 1392 O VAL A 99 -11.241 -1.568 2.657 1.00 0.00 O ATOM 1393 CB VAL A 99 -8.708 -3.294 1.535 1.00 0.00 C ATOM 1394 CG1 VAL A 99 -9.302 -4.439 0.711 1.00 0.00 C ATOM 1395 CG2 VAL A 99 -7.212 -3.170 1.236 1.00 0.00 C ATOM 0 H VAL A 99 -8.286 -1.065 2.732 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.370 -1.837 0.088 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.849 -3.498 2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.802 -5.372 0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -10.367 -4.526 0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.160 -4.235 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.710 -4.101 1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.069 -2.967 0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.790 -2.353 1.822 1.00 0.00 H new ATOM 1405 N TYR A 100 -11.710 -2.658 0.810 1.00 0.00 N ATOM 1406 CA TYR A 100 -13.148 -2.759 1.177 1.00 0.00 C ATOM 1407 C TYR A 100 -13.578 -4.229 1.135 1.00 0.00 C ATOM 1408 O TYR A 100 -13.097 -5.003 0.331 1.00 0.00 O ATOM 1409 CB TYR A 100 -13.968 -1.947 0.175 1.00 0.00 C ATOM 1410 CG TYR A 100 -15.283 -1.477 0.840 1.00 0.00 C ATOM 1411 CD1 TYR A 100 -16.272 -2.415 1.234 1.00 0.00 C ATOM 1412 CD2 TYR A 100 -15.529 -0.107 1.068 1.00 0.00 C ATOM 1413 CE1 TYR A 100 -17.460 -1.981 1.834 1.00 0.00 C ATOM 1414 CE2 TYR A 100 -16.723 0.312 1.669 1.00 0.00 C ATOM 1415 CZ TYR A 100 -17.685 -0.622 2.050 1.00 0.00 C ATOM 1416 OH TYR A 100 -18.859 -0.200 2.642 1.00 0.00 O ATOM 0 H TYR A 100 -11.459 -3.085 -0.082 1.00 0.00 H new ATOM 0 HA TYR A 100 -13.310 -2.370 2.182 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.394 -1.086 -0.167 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -14.189 -2.552 -0.704 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -16.107 -3.470 1.070 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -14.791 0.625 0.777 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -18.206 -2.703 2.131 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -16.899 1.364 1.838 1.00 0.00 H new ATOM 0 HH TYR A 100 -18.854 0.777 2.719 1.00 0.00 H new ATOM 1426 N SER A 101 -14.482 -4.621 1.988 1.00 0.00 N ATOM 1427 CA SER A 101 -14.944 -6.040 1.991 1.00 0.00 C ATOM 1428 C SER A 101 -16.438 -6.070 2.314 1.00 0.00 C ATOM 1429 O SER A 101 -16.835 -6.000 3.457 1.00 0.00 O ATOM 1430 CB SER A 101 -14.172 -6.844 3.044 1.00 0.00 C ATOM 1431 OG SER A 101 -14.523 -8.215 2.941 1.00 0.00 O ATOM 0 H SER A 101 -14.923 -4.020 2.685 1.00 0.00 H new ATOM 0 HA SER A 101 -14.765 -6.485 1.012 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.099 -6.720 2.898 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.403 -6.472 4.042 1.00 0.00 H new ATOM 0 HG SER A 101 -14.029 -8.730 3.612 1.00 0.00 H new ATOM 1437 N ILE A 102 -17.270 -6.168 1.317 1.00 0.00 N ATOM 1438 CA ILE A 102 -18.739 -6.189 1.591 1.00 0.00 C ATOM 1439 C ILE A 102 -19.180 -7.633 1.876 1.00 0.00 C ATOM 1440 O ILE A 102 -19.039 -8.488 1.018 1.00 0.00 O ATOM 1441 CB ILE A 102 -19.535 -5.652 0.384 1.00 0.00 C ATOM 1442 CG1 ILE A 102 -18.652 -5.566 -0.866 1.00 0.00 C ATOM 1443 CG2 ILE A 102 -20.070 -4.259 0.711 1.00 0.00 C ATOM 1444 CD1 ILE A 102 -19.462 -4.971 -2.020 1.00 0.00 C ATOM 0 H ILE A 102 -17.005 -6.234 0.334 1.00 0.00 H new ATOM 0 HA ILE A 102 -18.938 -5.551 2.453 1.00 0.00 H new ATOM 0 HB ILE A 102 -20.357 -6.339 0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -17.777 -4.948 -0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -18.287 -6.557 -1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -20.633 -3.876 -0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -20.723 -4.315 1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -19.236 -3.590 0.925 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -18.836 -4.909 -2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -20.323 -5.607 -2.226 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -19.805 -3.973 -1.747 1.00 0.00 H new ATOM 1456 N PRO A 103 -19.696 -7.880 3.068 1.00 0.00 N ATOM 1457 CA PRO A 103 -20.156 -9.238 3.472 1.00 0.00 C ATOM 1458 C PRO A 103 -21.571 -9.532 2.959 1.00 0.00 C ATOM 1459 O PRO A 103 -21.932 -10.673 2.752 1.00 0.00 O ATOM 1460 CB PRO A 103 -20.116 -9.180 4.996 1.00 0.00 C ATOM 1461 CG PRO A 103 -20.249 -7.715 5.389 1.00 0.00 C ATOM 1462 CD PRO A 103 -19.883 -6.866 4.164 1.00 0.00 C ATOM 0 HA PRO A 103 -19.538 -10.035 3.059 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -20.926 -9.770 5.426 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.183 -9.597 5.374 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -21.266 -7.498 5.714 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -19.590 -7.483 6.226 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -20.672 -6.154 3.920 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -18.974 -6.289 4.334 1.00 0.00 H new ATOM 1470 N TRP A 104 -22.384 -8.529 2.769 1.00 0.00 N ATOM 1471 CA TRP A 104 -23.784 -8.806 2.290 1.00 0.00 C ATOM 1472 C TRP A 104 -23.830 -9.128 0.782 1.00 0.00 C ATOM 1473 O TRP A 104 -24.573 -9.991 0.361 1.00 0.00 O ATOM 1474 CB TRP A 104 -24.695 -7.611 2.565 1.00 0.00 C ATOM 1475 CG TRP A 104 -24.255 -6.436 1.758 1.00 0.00 C ATOM 1476 CD1 TRP A 104 -24.459 -6.281 0.430 1.00 0.00 C ATOM 1477 CD2 TRP A 104 -23.553 -5.248 2.206 1.00 0.00 C ATOM 1478 NE1 TRP A 104 -23.940 -5.062 0.036 1.00 0.00 N ATOM 1479 CE2 TRP A 104 -23.372 -4.384 1.101 1.00 0.00 C ATOM 1480 CE3 TRP A 104 -23.067 -4.840 3.457 1.00 0.00 C ATOM 1481 CZ2 TRP A 104 -22.734 -3.151 1.235 1.00 0.00 C ATOM 1482 CZ3 TRP A 104 -22.424 -3.600 3.600 1.00 0.00 C ATOM 1483 CH2 TRP A 104 -22.262 -2.754 2.492 1.00 0.00 C ATOM 0 H TRP A 104 -22.154 -7.547 2.919 1.00 0.00 H new ATOM 0 HA TRP A 104 -24.134 -9.678 2.842 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -25.726 -7.865 2.319 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -24.672 -7.363 3.626 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -24.948 -6.994 -0.217 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -23.972 -4.707 -0.920 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -23.188 -5.484 4.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -22.605 -2.508 0.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -22.052 -3.296 4.567 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -21.774 -1.798 2.609 1.00 0.00 H new ATOM 1494 N LEU A 105 -23.054 -8.464 -0.037 1.00 0.00 N ATOM 1495 CA LEU A 105 -23.095 -8.778 -1.496 1.00 0.00 C ATOM 1496 C LEU A 105 -21.996 -9.791 -1.807 1.00 0.00 C ATOM 1497 O LEU A 105 -21.945 -10.350 -2.883 1.00 0.00 O ATOM 1498 CB LEU A 105 -22.912 -7.527 -2.373 1.00 0.00 C ATOM 1499 CG LEU A 105 -24.151 -7.321 -3.235 1.00 0.00 C ATOM 1500 CD1 LEU A 105 -24.288 -8.493 -4.196 1.00 0.00 C ATOM 1501 CD2 LEU A 105 -25.413 -7.230 -2.381 1.00 0.00 C ATOM 0 H LEU A 105 -22.403 -7.728 0.237 1.00 0.00 H new ATOM 0 HA LEU A 105 -24.079 -9.187 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -22.744 -6.652 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -22.031 -7.640 -3.005 1.00 0.00 H new ATOM 0 HG LEU A 105 -24.037 -6.385 -3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -25.173 -8.353 -4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -23.404 -8.548 -4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -24.385 -9.419 -3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -26.279 -7.083 -3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -25.536 -8.153 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -25.327 -6.389 -1.693 1.00 0.00 H new ATOM 1513 N ASN A 106 -21.111 -10.029 -0.867 1.00 0.00 N ATOM 1514 CA ASN A 106 -20.009 -11.013 -1.091 1.00 0.00 C ATOM 1515 C ASN A 106 -19.045 -10.446 -2.129 1.00 0.00 C ATOM 1516 O ASN A 106 -18.981 -10.914 -3.250 1.00 0.00 O ATOM 1517 CB ASN A 106 -20.565 -12.361 -1.595 1.00 0.00 C ATOM 1518 CG ASN A 106 -19.407 -13.260 -2.035 1.00 0.00 C ATOM 1519 OD1 ASN A 106 -18.258 -12.875 -1.959 1.00 0.00 O ATOM 1520 ND2 ASN A 106 -19.666 -14.457 -2.490 1.00 0.00 N ATOM 0 H ASN A 106 -21.107 -9.581 0.049 1.00 0.00 H new ATOM 0 HA ASN A 106 -19.495 -11.186 -0.146 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -21.137 -12.848 -0.806 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -21.248 -12.196 -2.428 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -18.903 -15.068 -2.781 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -20.631 -14.781 -2.554 1.00 0.00 H new ATOM 1527 N GLN A 107 -18.286 -9.447 -1.771 1.00 0.00 N ATOM 1528 CA GLN A 107 -17.321 -8.875 -2.762 1.00 0.00 C ATOM 1529 C GLN A 107 -16.259 -8.031 -2.066 1.00 0.00 C ATOM 1530 O GLN A 107 -16.340 -7.742 -0.887 1.00 0.00 O ATOM 1531 CB GLN A 107 -18.059 -8.017 -3.790 1.00 0.00 C ATOM 1532 CG GLN A 107 -17.420 -8.214 -5.165 1.00 0.00 C ATOM 1533 CD GLN A 107 -17.120 -6.848 -5.787 1.00 0.00 C ATOM 1534 OE1 GLN A 107 -15.990 -6.402 -5.786 1.00 0.00 O ATOM 1535 NE2 GLN A 107 -18.092 -6.161 -6.321 1.00 0.00 N ATOM 0 H GLN A 107 -18.288 -9.005 -0.852 1.00 0.00 H new ATOM 0 HA GLN A 107 -16.832 -9.707 -3.269 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -19.113 -8.294 -3.823 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -18.015 -6.966 -3.503 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -16.501 -8.793 -5.072 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -18.090 -8.781 -5.812 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -19.041 -6.536 -6.322 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -17.903 -5.249 -6.738 1.00 0.00 H new ATOM 1544 N ILE A 108 -15.259 -7.636 -2.802 1.00 0.00 N ATOM 1545 CA ILE A 108 -14.168 -6.807 -2.218 1.00 0.00 C ATOM 1546 C ILE A 108 -13.899 -5.618 -3.141 1.00 0.00 C ATOM 1547 O ILE A 108 -14.180 -5.664 -4.323 1.00 0.00 O ATOM 1548 CB ILE A 108 -12.899 -7.656 -2.089 1.00 0.00 C ATOM 1549 CG1 ILE A 108 -11.767 -6.805 -1.510 1.00 0.00 C ATOM 1550 CG2 ILE A 108 -12.488 -8.174 -3.470 1.00 0.00 C ATOM 1551 CD1 ILE A 108 -10.445 -7.565 -1.629 1.00 0.00 C ATOM 0 H ILE A 108 -15.150 -7.854 -3.792 1.00 0.00 H new ATOM 0 HA ILE A 108 -14.462 -6.447 -1.232 1.00 0.00 H new ATOM 0 HB ILE A 108 -13.096 -8.498 -1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.702 -5.856 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -11.971 -6.571 -0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -11.585 -8.778 -3.378 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -13.292 -8.783 -3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -12.294 -7.330 -4.132 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -9.638 -6.959 -1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -10.513 -8.502 -1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -10.240 -7.776 -2.678 1.00 0.00 H new ATOM 1563 N LYS A 109 -13.363 -4.550 -2.618 1.00 0.00 N ATOM 1564 CA LYS A 109 -13.090 -3.367 -3.478 1.00 0.00 C ATOM 1565 C LYS A 109 -11.730 -2.759 -3.122 1.00 0.00 C ATOM 1566 O LYS A 109 -11.147 -3.059 -2.097 1.00 0.00 O ATOM 1567 CB LYS A 109 -14.186 -2.321 -3.263 1.00 0.00 C ATOM 1568 CG LYS A 109 -14.927 -2.075 -4.579 1.00 0.00 C ATOM 1569 CD LYS A 109 -15.770 -0.803 -4.458 1.00 0.00 C ATOM 1570 CE LYS A 109 -16.608 -0.625 -5.725 1.00 0.00 C ATOM 1571 NZ LYS A 109 -16.612 0.812 -6.118 1.00 0.00 N ATOM 0 H LYS A 109 -13.104 -4.446 -1.637 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.077 -3.680 -4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.884 -2.663 -2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.749 -1.391 -2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -14.214 -1.975 -5.397 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.565 -2.927 -4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -16.420 -0.866 -3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -15.123 0.062 -4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -16.200 -1.233 -6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -17.628 -0.969 -5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -17.182 0.935 -6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -17.020 1.381 -5.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.637 1.125 -6.300 1.00 0.00 H new ATOM 1585 N LEU A 110 -11.239 -1.889 -3.959 1.00 0.00 N ATOM 1586 CA LEU A 110 -9.940 -1.228 -3.701 1.00 0.00 C ATOM 1587 C LEU A 110 -10.182 0.280 -3.758 1.00 0.00 C ATOM 1588 O LEU A 110 -9.975 0.922 -4.768 1.00 0.00 O ATOM 1589 CB LEU A 110 -8.928 -1.640 -4.776 1.00 0.00 C ATOM 1590 CG LEU A 110 -7.573 -0.939 -4.561 1.00 0.00 C ATOM 1591 CD1 LEU A 110 -7.550 0.382 -5.330 1.00 0.00 C ATOM 1592 CD2 LEU A 110 -7.334 -0.668 -3.071 1.00 0.00 C ATOM 0 H LEU A 110 -11.696 -1.606 -4.826 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.540 -1.517 -2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.789 -2.721 -4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.318 -1.389 -5.762 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.782 -1.593 -4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.591 0.876 -5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.691 0.187 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.352 1.027 -4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.372 -0.173 -2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.127 -0.027 -2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.333 -1.611 -2.525 1.00 0.00 H new ATOM 1604 N LEU A 111 -10.653 0.835 -2.684 1.00 0.00 N ATOM 1605 CA LEU A 111 -10.950 2.288 -2.640 1.00 0.00 C ATOM 1606 C LEU A 111 -9.845 3.049 -3.359 1.00 0.00 C ATOM 1607 O LEU A 111 -10.049 3.601 -4.422 1.00 0.00 O ATOM 1608 CB LEU A 111 -11.026 2.734 -1.182 1.00 0.00 C ATOM 1609 CG LEU A 111 -12.075 3.840 -1.040 1.00 0.00 C ATOM 1610 CD1 LEU A 111 -13.301 3.288 -0.306 1.00 0.00 C ATOM 1611 CD2 LEU A 111 -11.486 5.006 -0.243 1.00 0.00 C ATOM 0 H LEU A 111 -10.849 0.334 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 111 -11.901 2.491 -3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.285 1.888 -0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.053 3.096 -0.850 1.00 0.00 H new ATOM 0 HG LEU A 111 -12.369 4.190 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -14.049 4.075 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -13.722 2.458 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -13.006 2.938 0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -12.234 5.793 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.191 4.658 0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.613 5.399 -0.765 1.00 0.00 H new ATOM 1623 N GLU A 112 -8.672 3.075 -2.800 1.00 0.00 N ATOM 1624 CA GLU A 112 -7.556 3.798 -3.481 1.00 0.00 C ATOM 1625 C GLU A 112 -6.397 4.007 -2.512 1.00 0.00 C ATOM 1626 O GLU A 112 -6.428 3.569 -1.378 1.00 0.00 O ATOM 1627 CB GLU A 112 -8.043 5.171 -3.977 1.00 0.00 C ATOM 1628 CG GLU A 112 -9.075 5.728 -2.993 1.00 0.00 C ATOM 1629 CD GLU A 112 -8.834 7.226 -2.791 1.00 0.00 C ATOM 1630 OE1 GLU A 112 -7.706 7.656 -2.971 1.00 0.00 O ATOM 1631 OE2 GLU A 112 -9.781 7.918 -2.458 1.00 0.00 O ATOM 0 H GLU A 112 -8.434 2.634 -1.912 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.222 3.198 -4.327 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -7.201 5.858 -4.066 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -8.484 5.076 -4.969 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -10.083 5.559 -3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -9.002 5.206 -2.039 1.00 0.00 H new ATOM 1638 N SER A 113 -5.377 4.679 -2.959 1.00 0.00 N ATOM 1639 CA SER A 113 -4.205 4.932 -2.081 1.00 0.00 C ATOM 1640 C SER A 113 -4.206 6.400 -1.657 1.00 0.00 C ATOM 1641 O SER A 113 -3.721 7.263 -2.360 1.00 0.00 O ATOM 1642 CB SER A 113 -2.930 4.609 -2.844 1.00 0.00 C ATOM 1643 OG SER A 113 -2.032 3.914 -1.993 1.00 0.00 O ATOM 0 H SER A 113 -5.304 5.066 -3.900 1.00 0.00 H new ATOM 0 HA SER A 113 -4.259 4.302 -1.193 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.161 4.002 -3.719 1.00 0.00 H new ATOM 0 HB3 SER A 113 -2.468 5.527 -3.206 1.00 0.00 H new ATOM 0 HG SER A 113 -1.388 4.546 -1.611 1.00 0.00 H new ATOM 1649 N LYS A 114 -4.763 6.687 -0.516 1.00 0.00 N ATOM 1650 CA LYS A 114 -4.813 8.103 -0.039 1.00 0.00 C ATOM 1651 C LYS A 114 -3.390 8.593 0.289 1.00 0.00 C ATOM 1652 O LYS A 114 -2.890 8.356 1.372 1.00 0.00 O ATOM 1653 CB LYS A 114 -5.675 8.201 1.228 1.00 0.00 C ATOM 1654 CG LYS A 114 -6.667 9.358 1.073 1.00 0.00 C ATOM 1655 CD LYS A 114 -7.856 9.144 2.015 1.00 0.00 C ATOM 1656 CE LYS A 114 -8.739 10.394 2.011 1.00 0.00 C ATOM 1657 NZ LYS A 114 -9.824 10.234 1.002 1.00 0.00 N ATOM 0 H LYS A 114 -5.188 6.004 0.111 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.246 8.721 -0.825 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.211 7.266 1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.043 8.363 2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.176 10.304 1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.013 9.418 0.041 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.434 8.276 1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.502 8.939 3.025 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -9.168 10.552 3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.140 11.275 1.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -10.424 11.084 1.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -9.405 10.103 0.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -10.402 9.403 1.242 1.00 0.00 H new ATOM 1671 N CYS A 115 -2.726 9.274 -0.619 1.00 0.00 N ATOM 1672 CA CYS A 115 -1.349 9.762 -0.310 1.00 0.00 C ATOM 1673 C CYS A 115 -1.287 11.276 -0.517 1.00 0.00 C ATOM 1674 O CYS A 115 -2.092 11.851 -1.220 1.00 0.00 O ATOM 1675 CB CYS A 115 -0.298 9.085 -1.210 1.00 0.00 C ATOM 1676 SG CYS A 115 -1.033 7.731 -2.163 1.00 0.00 S ATOM 0 H CYS A 115 -3.076 9.509 -1.548 1.00 0.00 H new ATOM 0 HA CYS A 115 -1.126 9.512 0.727 1.00 0.00 H new ATOM 0 HB2 CYS A 115 0.132 9.821 -1.889 1.00 0.00 H new ATOM 0 HB3 CYS A 115 0.518 8.702 -0.597 1.00 0.00 H new ATOM 1681 N GLN A 116 -0.336 11.926 0.099 1.00 0.00 N ATOM 1682 CA GLN A 116 -0.222 13.407 -0.051 1.00 0.00 C ATOM 1683 C GLN A 116 -1.486 14.066 0.508 1.00 0.00 C ATOM 1684 CB GLN A 116 -0.066 13.774 -1.535 1.00 0.00 C ATOM 1685 CG GLN A 116 -0.296 15.277 -1.716 1.00 0.00 C ATOM 1686 CD GLN A 116 0.085 15.682 -3.141 1.00 0.00 C ATOM 1687 OE1 GLN A 116 0.426 14.844 -3.953 1.00 0.00 O ATOM 1688 NE2 GLN A 116 0.041 16.941 -3.483 1.00 0.00 N ATOM 0 H GLN A 116 0.367 11.496 0.700 1.00 0.00 H new ATOM 0 HA GLN A 116 0.653 13.760 0.496 1.00 0.00 H new ATOM 0 HB2 GLN A 116 0.930 13.503 -1.885 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -0.779 13.211 -2.137 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -1.341 15.522 -1.524 1.00 0.00 H new ATOM 0 HG3 GLN A 116 0.300 15.837 -0.995 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -0.245 17.645 -2.802 1.00 0.00 H new ATOM 0 HE22 GLN A 116 0.293 17.221 -4.431 1.00 0.00 H new TER 1697 GLN A 116