USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 852 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: B 38 GLN : amide:sc= 0.478 K(o=2.1,f=0.37) USER MOD Set 1.2: B 39 GLN : amide:sc= 1.59 K(o=2.1,f=0.37) USER MOD Set 2.1: A 44 THR OG1 : rot 49:sc= 2.17 USER MOD Set 2.2: B 8 GLN : amide:sc= 0.55 K(o=5.7,f=4.1) USER MOD Set 2.3: B 29 SER OG : rot -172:sc= 1.95 USER MOD Set 2.4: B 30 SER OG : rot 84:sc= 1 USER MOD Set 3.1: A 38 GLN : amide:sc= 0.021 K(o=1.2,f=-0.072) USER MOD Set 3.2: A 39 GLN : amide:sc= 1.16 K(o=1.2,f=-0.072) USER MOD Set 4.1: A 8 GLN : amide:sc= 0.537 X(o=5.4,f=4.9) USER MOD Set 4.2: A 29 SER OG : rot -165:sc= 1.9 USER MOD Set 4.3: A 30 SER OG : rot 180:sc= 0.684 USER MOD Set 4.4: B 43 SER OG : rot -116:sc= 1.05 USER MOD Set 4.5: B 44 THR OG1 : rot 53:sc= 1.21 USER MOD Single : A 1 GLY N :NH3+ 177:sc= 1.24 (180deg=1.19) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0161 USER MOD Single : A 3 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.0011) USER MOD Single : A 4 MET CE :methyl 175:sc= 0 (180deg=-0.0191) USER MOD Single : A 10 HIS : no HE2:sc= -0.302 K(o=-0.3,f=-1.9!) USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= 1.27 (180deg=1.19) USER MOD Single : A 14 CYS SG : rot 147:sc= 0.891 USER MOD Single : A 16 CYS SG : rot -158:sc= -2.88! USER MOD Single : A 17 CYS SG : rot -119:sc= 0.43 USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 0.6 (180deg=0.28) USER MOD Single : A 26 THR OG1 : rot 57:sc= 0.506 USER MOD Single : A 36 THR OG1 : rot 85:sc= 1.28 USER MOD Single : A 43 SER OG : rot -150:sc= 0.945 USER MOD Single : A 46 SER OG : rot 3:sc= 1.2 USER MOD Single : A 54 THR OG1 : rot 88:sc= 1.2 USER MOD Single : A 55 ASN : amide:sc= -0.525 K(o=-0.52,f=-2.7!) USER MOD Single : A 56 GLN : amide:sc= 1.56 K(o=1.6,f=-9!) USER MOD Single : B 1 GLY N :NH3+ -157:sc= 0.837 (180deg=0.488) USER MOD Single : B 2 SER OG : rot 180:sc= 0.0806 USER MOD Single : B 3 HIS : no HD1:sc= -0.158 X(o=-0.16,f=0) USER MOD Single : B 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 10 HIS : no HE2:sc= -0.563 K(o=-0.56,f=-2.7) USER MOD Single : B 11 LYS NZ :NH3+ 149:sc= 1.27 (180deg=1.06) USER MOD Single : B 14 CYS SG : rot 150:sc= 1.31 USER MOD Single : B 16 CYS SG : rot -166:sc= -2.7! USER MOD Single : B 17 CYS SG : rot -115:sc= 0.244 USER MOD Single : B 18 LYS NZ :NH3+ -177:sc= 0.341 (180deg=0.139) USER MOD Single : B 26 THR OG1 : rot -150:sc= 0 USER MOD Single : B 36 THR OG1 : rot 90:sc= 1.27 USER MOD Single : B 46 SER OG : rot 1:sc= 1.19 USER MOD Single : B 54 THR OG1 : rot 104:sc= 1.28 USER MOD Single : B 55 ASN : amide:sc= 1.18 K(o=1.2,f=-0.031) USER MOD Single : B 56 GLN : amide:sc= 0.965 K(o=0.97,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.513 0.810 -6.365 1.00 0.00 N ATOM 2 CA GLY A 1 -21.071 1.976 -7.144 1.00 0.00 C ATOM 3 C GLY A 1 -21.571 3.248 -6.481 1.00 0.00 C ATOM 4 O GLY A 1 -20.894 3.790 -5.611 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.214 -0.062 -6.846 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.088 0.845 -5.416 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.550 0.821 -6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.983 1.991 -7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.451 1.911 -8.163 1.00 0.00 H new ATOM 8 N SER A 2 -22.774 3.706 -6.844 1.00 0.00 N ATOM 9 CA SER A 2 -23.491 4.716 -6.074 1.00 0.00 C ATOM 10 C SER A 2 -23.645 4.206 -4.637 1.00 0.00 C ATOM 11 O SER A 2 -23.981 3.036 -4.458 1.00 0.00 O ATOM 12 CB SER A 2 -24.866 4.965 -6.712 1.00 0.00 C ATOM 13 OG SER A 2 -24.741 5.083 -8.118 1.00 0.00 O ATOM 0 H SER A 2 -23.271 3.387 -7.675 1.00 0.00 H new ATOM 0 HA SER A 2 -22.941 5.657 -6.068 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.542 4.145 -6.468 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.306 5.874 -6.302 1.00 0.00 H new ATOM 0 HG SER A 2 -25.624 5.240 -8.513 1.00 0.00 H new ATOM 19 N HIS A 3 -23.401 5.065 -3.638 1.00 0.00 N ATOM 20 CA HIS A 3 -23.368 4.701 -2.220 1.00 0.00 C ATOM 21 C HIS A 3 -22.515 3.440 -1.975 1.00 0.00 C ATOM 22 O HIS A 3 -22.998 2.428 -1.466 1.00 0.00 O ATOM 23 CB HIS A 3 -24.803 4.614 -1.670 1.00 0.00 C ATOM 24 CG HIS A 3 -24.864 4.494 -0.166 1.00 0.00 C ATOM 25 ND1 HIS A 3 -24.758 5.529 0.736 1.00 0.00 N ATOM 26 CD2 HIS A 3 -24.999 3.333 0.548 1.00 0.00 C ATOM 27 CE1 HIS A 3 -24.821 4.995 1.969 1.00 0.00 C ATOM 28 NE2 HIS A 3 -24.968 3.664 1.904 1.00 0.00 N ATOM 0 H HIS A 3 -23.217 6.055 -3.800 1.00 0.00 H new ATOM 0 HA HIS A 3 -22.865 5.485 -1.654 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -25.357 5.501 -1.979 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -25.303 3.754 -2.116 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -25.109 2.341 0.136 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -24.761 5.561 2.887 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -25.043 3.019 2.691 1.00 0.00 H new ATOM 36 N MET A 4 -21.227 3.510 -2.337 1.00 0.00 N ATOM 37 CA MET A 4 -20.244 2.448 -2.126 1.00 0.00 C ATOM 38 C MET A 4 -19.895 2.230 -0.642 1.00 0.00 C ATOM 39 O MET A 4 -18.741 2.350 -0.233 1.00 0.00 O ATOM 40 CB MET A 4 -18.996 2.666 -3.010 1.00 0.00 C ATOM 41 CG MET A 4 -18.359 4.060 -2.893 1.00 0.00 C ATOM 42 SD MET A 4 -16.680 4.224 -3.577 1.00 0.00 S ATOM 43 CE MET A 4 -16.931 3.638 -5.276 1.00 0.00 C ATOM 0 H MET A 4 -20.833 4.331 -2.797 1.00 0.00 H new ATOM 0 HA MET A 4 -20.710 1.515 -2.444 1.00 0.00 H new ATOM 0 HB2 MET A 4 -18.248 1.917 -2.749 1.00 0.00 H new ATOM 0 HB3 MET A 4 -19.271 2.494 -4.051 1.00 0.00 H new ATOM 0 HG2 MET A 4 -19.007 4.778 -3.395 1.00 0.00 H new ATOM 0 HG3 MET A 4 -18.331 4.338 -1.840 1.00 0.00 H new ATOM 0 HE1 MET A 4 -16.009 3.764 -5.844 1.00 0.00 H new ATOM 0 HE2 MET A 4 -17.206 2.583 -5.260 1.00 0.00 H new ATOM 0 HE3 MET A 4 -17.728 4.214 -5.746 1.00 0.00 H new ATOM 53 N ALA A 5 -20.872 1.794 0.160 1.00 0.00 N ATOM 54 CA ALA A 5 -20.699 1.169 1.464 1.00 0.00 C ATOM 55 C ALA A 5 -20.131 -0.261 1.319 1.00 0.00 C ATOM 56 O ALA A 5 -20.526 -1.175 2.043 1.00 0.00 O ATOM 57 CB ALA A 5 -22.046 1.189 2.202 1.00 0.00 C ATOM 0 H ALA A 5 -21.854 1.875 -0.102 1.00 0.00 H new ATOM 0 HA ALA A 5 -19.972 1.728 2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -21.931 0.724 3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -22.377 2.220 2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -22.787 0.638 1.623 1.00 0.00 H new ATOM 63 N GLU A 6 -19.275 -0.479 0.316 1.00 0.00 N ATOM 64 CA GLU A 6 -18.859 -1.790 -0.158 1.00 0.00 C ATOM 65 C GLU A 6 -17.654 -2.283 0.660 1.00 0.00 C ATOM 66 O GLU A 6 -16.813 -1.470 1.058 1.00 0.00 O ATOM 67 CB GLU A 6 -18.551 -1.706 -1.665 1.00 0.00 C ATOM 68 CG GLU A 6 -19.850 -1.638 -2.490 1.00 0.00 C ATOM 69 CD GLU A 6 -19.649 -1.116 -3.919 1.00 0.00 C ATOM 70 OE1 GLU A 6 -18.988 -1.801 -4.726 1.00 0.00 O ATOM 71 OE2 GLU A 6 -20.215 -0.041 -4.228 1.00 0.00 O ATOM 0 H GLU A 6 -18.841 0.284 -0.203 1.00 0.00 H new ATOM 0 HA GLU A 6 -19.659 -2.518 -0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.941 -0.825 -1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.967 -2.575 -1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -20.293 -2.633 -2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -20.563 -0.995 -1.975 1.00 0.00 H new ATOM 78 N PRO A 7 -17.540 -3.604 0.904 1.00 0.00 N ATOM 79 CA PRO A 7 -16.584 -4.212 1.833 1.00 0.00 C ATOM 80 C PRO A 7 -15.168 -4.300 1.234 1.00 0.00 C ATOM 81 O PRO A 7 -14.517 -5.344 1.308 1.00 0.00 O ATOM 82 CB PRO A 7 -17.203 -5.580 2.157 1.00 0.00 C ATOM 83 CG PRO A 7 -17.849 -5.972 0.831 1.00 0.00 C ATOM 84 CD PRO A 7 -18.394 -4.636 0.329 1.00 0.00 C ATOM 0 HA PRO A 7 -16.433 -3.620 2.736 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -16.449 -6.302 2.471 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -17.935 -5.514 2.961 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.126 -6.403 0.138 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -18.640 -6.709 0.966 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -18.376 -4.593 -0.760 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -19.431 -4.499 0.636 1.00 0.00 H new ATOM 92 N GLN A 8 -14.694 -3.201 0.638 1.00 0.00 N ATOM 93 CA GLN A 8 -13.386 -3.082 0.012 1.00 0.00 C ATOM 94 C GLN A 8 -12.632 -1.847 0.516 1.00 0.00 C ATOM 95 O GLN A 8 -11.465 -1.993 0.857 1.00 0.00 O ATOM 96 CB GLN A 8 -13.500 -3.089 -1.525 1.00 0.00 C ATOM 97 CG GLN A 8 -13.528 -4.494 -2.160 1.00 0.00 C ATOM 98 CD GLN A 8 -14.780 -5.315 -1.844 1.00 0.00 C ATOM 99 OE1 GLN A 8 -15.895 -4.804 -1.861 1.00 0.00 O ATOM 100 NE2 GLN A 8 -14.640 -6.607 -1.568 1.00 0.00 N ATOM 0 H GLN A 8 -15.237 -2.340 0.580 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.802 -3.956 0.301 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.407 -2.557 -1.811 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.660 -2.533 -1.941 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.442 -4.390 -3.242 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.652 -5.048 -1.822 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.711 -7.028 -1.555 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.462 -7.178 -1.369 1.00 0.00 H new ATOM 109 N ARG A 9 -13.224 -0.640 0.534 1.00 0.00 N ATOM 110 CA ARG A 9 -12.520 0.613 0.863 1.00 0.00 C ATOM 111 C ARG A 9 -12.014 0.599 2.310 1.00 0.00 C ATOM 112 O ARG A 9 -12.725 1.031 3.218 1.00 0.00 O ATOM 113 CB ARG A 9 -13.429 1.823 0.563 1.00 0.00 C ATOM 114 CG ARG A 9 -12.740 3.181 0.523 1.00 0.00 C ATOM 115 CD ARG A 9 -12.405 3.824 1.884 1.00 0.00 C ATOM 116 NE ARG A 9 -12.197 5.288 1.789 1.00 0.00 N ATOM 117 CZ ARG A 9 -13.163 6.216 1.667 1.00 0.00 C ATOM 118 NH1 ARG A 9 -14.439 5.835 1.588 1.00 0.00 N ATOM 119 NH2 ARG A 9 -12.863 7.515 1.625 1.00 0.00 N ATOM 0 H ARG A 9 -14.212 -0.505 0.319 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.636 0.703 0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.917 1.657 -0.397 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.215 1.858 1.318 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.814 3.077 -0.042 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.376 3.870 -0.032 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.214 3.621 2.586 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.506 3.359 2.290 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.234 5.622 1.819 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.678 4.844 1.620 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -15.175 6.535 1.495 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.890 7.816 1.686 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.606 8.207 1.532 1.00 0.00 H new ATOM 133 N HIS A 10 -10.791 0.115 2.538 1.00 0.00 N ATOM 134 CA HIS A 10 -10.285 -0.217 3.864 1.00 0.00 C ATOM 135 C HIS A 10 -8.989 0.537 4.149 1.00 0.00 C ATOM 136 O HIS A 10 -8.380 1.107 3.245 1.00 0.00 O ATOM 137 CB HIS A 10 -10.095 -1.735 3.971 1.00 0.00 C ATOM 138 CG HIS A 10 -11.356 -2.566 3.875 1.00 0.00 C ATOM 139 ND1 HIS A 10 -11.433 -3.875 3.466 1.00 0.00 N ATOM 140 CD2 HIS A 10 -12.632 -2.157 4.139 1.00 0.00 C ATOM 141 CE1 HIS A 10 -12.721 -4.249 3.532 1.00 0.00 C ATOM 142 NE2 HIS A 10 -13.495 -3.234 3.940 1.00 0.00 N ATOM 0 H HIS A 10 -10.117 -0.059 1.792 1.00 0.00 H new ATOM 0 HA HIS A 10 -11.008 0.093 4.619 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -9.412 -2.053 3.183 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -9.609 -1.955 4.922 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -10.652 -4.458 3.166 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -12.924 -1.165 4.450 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -13.085 -5.236 3.289 1.00 0.00 H new ATOM 150 N LYS A 11 -8.588 0.571 5.425 1.00 0.00 N ATOM 151 CA LYS A 11 -7.576 1.479 5.948 1.00 0.00 C ATOM 152 C LYS A 11 -6.669 0.720 6.904 1.00 0.00 C ATOM 153 O LYS A 11 -7.037 0.477 8.053 1.00 0.00 O ATOM 154 CB LYS A 11 -8.226 2.685 6.648 1.00 0.00 C ATOM 155 CG LYS A 11 -8.928 3.656 5.682 1.00 0.00 C ATOM 156 CD LYS A 11 -10.460 3.536 5.643 1.00 0.00 C ATOM 157 CE LYS A 11 -11.147 3.960 6.951 1.00 0.00 C ATOM 158 NZ LYS A 11 -10.933 5.388 7.281 1.00 0.00 N ATOM 0 H LYS A 11 -8.972 -0.051 6.136 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.981 1.866 5.120 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.951 2.323 7.377 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.461 3.228 7.203 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.665 4.676 5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.539 3.490 4.677 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.843 4.149 4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.729 2.504 5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.217 3.768 6.872 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.772 3.344 7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.710 5.725 7.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.031 5.496 7.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.907 5.947 6.404 1.00 0.00 H new ATOM 172 N ILE A 12 -5.490 0.332 6.425 1.00 0.00 N ATOM 173 CA ILE A 12 -4.441 -0.236 7.253 1.00 0.00 C ATOM 174 C ILE A 12 -3.664 0.949 7.823 1.00 0.00 C ATOM 175 O ILE A 12 -2.782 1.499 7.173 1.00 0.00 O ATOM 176 CB ILE A 12 -3.543 -1.198 6.447 1.00 0.00 C ATOM 177 CG1 ILE A 12 -4.367 -2.311 5.770 1.00 0.00 C ATOM 178 CG2 ILE A 12 -2.469 -1.771 7.394 1.00 0.00 C ATOM 179 CD1 ILE A 12 -3.534 -3.151 4.801 1.00 0.00 C ATOM 0 H ILE A 12 -5.238 0.406 5.439 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.853 -0.844 8.058 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.056 -0.653 5.639 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.792 -2.960 6.535 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.203 -1.863 5.232 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.824 -2.454 6.842 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.871 -0.956 7.801 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.953 -2.308 8.210 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.163 -3.920 4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.130 -2.509 4.018 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.714 -3.623 5.341 1.00 0.00 H new ATOM 191 N LEU A 13 -3.991 1.381 9.035 1.00 0.00 N ATOM 192 CA LEU A 13 -3.169 2.337 9.742 1.00 0.00 C ATOM 193 C LEU A 13 -1.816 1.696 10.008 1.00 0.00 C ATOM 194 O LEU A 13 -1.718 0.711 10.739 1.00 0.00 O ATOM 195 CB LEU A 13 -3.843 2.838 11.018 1.00 0.00 C ATOM 196 CG LEU A 13 -3.076 4.056 11.581 1.00 0.00 C ATOM 197 CD1 LEU A 13 -4.085 5.001 12.224 1.00 0.00 C ATOM 198 CD2 LEU A 13 -1.999 3.693 12.612 1.00 0.00 C ATOM 0 H LEU A 13 -4.822 1.080 9.544 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.027 3.226 9.128 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.876 3.114 10.808 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.871 2.041 11.761 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.553 4.520 10.745 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.564 5.869 12.628 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.806 5.327 11.475 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.607 4.483 13.029 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.506 4.601 12.959 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.462 3.185 13.458 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.263 3.034 12.152 1.00 0.00 H new ATOM 210 N CYS A 14 -0.789 2.277 9.401 1.00 0.00 N ATOM 211 CA CYS A 14 0.599 1.955 9.650 1.00 0.00 C ATOM 212 C CYS A 14 1.346 3.232 10.048 1.00 0.00 C ATOM 213 O CYS A 14 0.755 4.296 10.270 1.00 0.00 O ATOM 214 CB CYS A 14 1.179 1.302 8.388 1.00 0.00 C ATOM 215 SG CYS A 14 2.560 0.195 8.799 1.00 0.00 S ATOM 0 H CYS A 14 -0.910 3.008 8.700 1.00 0.00 H new ATOM 0 HA CYS A 14 0.704 1.248 10.473 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.399 0.740 7.874 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.521 2.075 7.699 1.00 0.00 H new ATOM 0 HG CYS A 14 2.578 -0.803 7.967 1.00 0.00 H new ATOM 221 N VAL A 15 2.670 3.124 10.098 1.00 0.00 N ATOM 222 CA VAL A 15 3.569 4.258 10.124 1.00 0.00 C ATOM 223 C VAL A 15 4.469 4.179 8.895 1.00 0.00 C ATOM 224 O VAL A 15 4.601 3.117 8.279 1.00 0.00 O ATOM 225 CB VAL A 15 4.364 4.315 11.442 1.00 0.00 C ATOM 226 CG1 VAL A 15 3.440 4.684 12.610 1.00 0.00 C ATOM 227 CG2 VAL A 15 5.112 3.005 11.735 1.00 0.00 C ATOM 0 H VAL A 15 3.151 2.225 10.122 1.00 0.00 H new ATOM 0 HA VAL A 15 3.003 5.189 10.087 1.00 0.00 H new ATOM 0 HB VAL A 15 5.120 5.092 11.327 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.018 4.720 13.534 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.991 5.660 12.425 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.654 3.935 12.703 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.656 3.099 12.675 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.396 2.186 11.810 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.815 2.799 10.928 1.00 0.00 H new ATOM 237 N CYS A 16 5.087 5.303 8.531 1.00 0.00 N ATOM 238 CA CYS A 16 6.059 5.308 7.463 1.00 0.00 C ATOM 239 C CYS A 16 7.282 4.511 7.906 1.00 0.00 C ATOM 240 O CYS A 16 7.878 4.817 8.938 1.00 0.00 O ATOM 241 CB CYS A 16 6.469 6.721 7.040 1.00 0.00 C ATOM 242 SG CYS A 16 7.330 6.435 5.476 1.00 0.00 S ATOM 0 H CYS A 16 4.926 6.212 8.964 1.00 0.00 H new ATOM 0 HA CYS A 16 5.599 4.847 6.589 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.604 7.372 6.913 1.00 0.00 H new ATOM 0 HB3 CYS A 16 7.117 7.193 7.779 1.00 0.00 H new ATOM 0 HG CYS A 16 8.117 7.438 5.224 1.00 0.00 H new ATOM 247 N CYS A 17 7.686 3.555 7.073 1.00 0.00 N ATOM 248 CA CYS A 17 8.809 2.647 7.273 1.00 0.00 C ATOM 249 C CYS A 17 10.088 3.383 7.696 1.00 0.00 C ATOM 250 O CYS A 17 10.856 2.866 8.504 1.00 0.00 O ATOM 251 CB CYS A 17 9.020 1.878 5.962 1.00 0.00 C ATOM 252 SG CYS A 17 10.259 0.576 6.172 1.00 0.00 S ATOM 0 H CYS A 17 7.209 3.385 6.188 1.00 0.00 H new ATOM 0 HA CYS A 17 8.581 1.962 8.089 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.077 1.439 5.637 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.338 2.566 5.179 1.00 0.00 H new ATOM 0 HG CYS A 17 11.261 0.798 5.375 1.00 0.00 H new ATOM 258 N LYS A 18 10.312 4.593 7.166 1.00 0.00 N ATOM 259 CA LYS A 18 11.543 5.347 7.353 1.00 0.00 C ATOM 260 C LYS A 18 11.356 6.706 8.035 1.00 0.00 C ATOM 261 O LYS A 18 12.352 7.335 8.380 1.00 0.00 O ATOM 262 CB LYS A 18 12.260 5.447 6.004 1.00 0.00 C ATOM 263 CG LYS A 18 11.423 6.061 4.862 1.00 0.00 C ATOM 264 CD LYS A 18 12.300 6.460 3.663 1.00 0.00 C ATOM 265 CE LYS A 18 12.602 5.338 2.655 1.00 0.00 C ATOM 266 NZ LYS A 18 13.304 4.172 3.232 1.00 0.00 N ATOM 0 H LYS A 18 9.626 5.077 6.586 1.00 0.00 H new ATOM 0 HA LYS A 18 12.169 4.803 8.060 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.163 6.044 6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.578 4.448 5.704 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.669 5.344 4.538 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.892 6.938 5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.810 7.277 3.133 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.246 6.848 4.041 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.664 5.000 2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.206 5.747 1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.544 3.502 2.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.175 4.489 3.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.687 3.703 3.926 1.00 0.00 H new ATOM 280 N CYS A 19 10.114 7.152 8.258 1.00 0.00 N ATOM 281 CA CYS A 19 9.800 8.399 8.939 1.00 0.00 C ATOM 282 C CYS A 19 9.055 8.203 10.263 1.00 0.00 C ATOM 283 O CYS A 19 8.908 9.176 10.998 1.00 0.00 O ATOM 284 CB CYS A 19 8.981 9.310 8.033 1.00 0.00 C ATOM 285 SG CYS A 19 9.099 9.108 6.238 1.00 0.00 S ATOM 0 H CYS A 19 9.285 6.638 7.960 1.00 0.00 H new ATOM 0 HA CYS A 19 10.760 8.859 9.175 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.933 9.191 8.308 1.00 0.00 H new ATOM 0 HB3 CYS A 19 9.257 10.338 8.266 1.00 0.00 H new ATOM 290 N ASP A 20 8.544 6.993 10.540 1.00 0.00 N ATOM 291 CA ASP A 20 7.685 6.661 11.683 1.00 0.00 C ATOM 292 C ASP A 20 6.429 7.552 11.780 1.00 0.00 C ATOM 293 O ASP A 20 5.805 7.672 12.832 1.00 0.00 O ATOM 294 CB ASP A 20 8.529 6.614 12.968 1.00 0.00 C ATOM 295 CG ASP A 20 7.799 5.948 14.141 1.00 0.00 C ATOM 296 OD1 ASP A 20 7.149 4.905 13.898 1.00 0.00 O ATOM 297 OD2 ASP A 20 7.955 6.451 15.276 1.00 0.00 O ATOM 0 H ASP A 20 8.728 6.185 9.946 1.00 0.00 H new ATOM 0 HA ASP A 20 7.272 5.664 11.529 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.454 6.073 12.769 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.808 7.629 13.250 1.00 0.00 H new ATOM 302 N GLY A 21 6.027 8.187 10.669 1.00 0.00 N ATOM 303 CA GLY A 21 4.874 9.086 10.664 1.00 0.00 C ATOM 304 C GLY A 21 3.604 8.295 10.407 1.00 0.00 C ATOM 305 O GLY A 21 3.634 7.327 9.659 1.00 0.00 O ATOM 0 H GLY A 21 6.487 8.091 9.764 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.802 9.605 11.620 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.000 9.849 9.896 1.00 0.00 H new ATOM 309 N ARG A 22 2.487 8.726 10.990 1.00 0.00 N ATOM 310 CA ARG A 22 1.192 8.045 10.935 1.00 0.00 C ATOM 311 C ARG A 22 0.694 8.036 9.494 1.00 0.00 C ATOM 312 O ARG A 22 0.508 9.114 8.929 1.00 0.00 O ATOM 313 CB ARG A 22 0.223 8.775 11.888 1.00 0.00 C ATOM 314 CG ARG A 22 -1.186 8.171 12.031 1.00 0.00 C ATOM 315 CD ARG A 22 -2.218 8.664 10.999 1.00 0.00 C ATOM 316 NE ARG A 22 -3.588 8.351 11.447 1.00 0.00 N ATOM 317 CZ ARG A 22 -4.710 8.406 10.715 1.00 0.00 C ATOM 318 NH1 ARG A 22 -4.751 8.976 9.515 1.00 0.00 N ATOM 319 NH2 ARG A 22 -5.835 7.853 11.154 1.00 0.00 N ATOM 0 H ARG A 22 2.456 9.589 11.533 1.00 0.00 H new ATOM 0 HA ARG A 22 1.270 7.007 11.258 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.680 8.812 12.877 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.120 9.805 11.546 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.109 7.086 11.954 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.560 8.394 13.030 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.113 9.739 10.856 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.029 8.194 10.034 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.693 8.061 12.419 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.908 9.392 9.119 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.625 8.997 8.990 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.852 7.380 12.057 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.682 7.902 10.588 1.00 0.00 H new ATOM 333 N ILE A 23 0.429 6.856 8.919 1.00 0.00 N ATOM 334 CA ILE A 23 -0.184 6.762 7.599 1.00 0.00 C ATOM 335 C ILE A 23 -1.396 5.834 7.684 1.00 0.00 C ATOM 336 O ILE A 23 -1.297 4.714 8.172 1.00 0.00 O ATOM 337 CB ILE A 23 0.783 6.263 6.500 1.00 0.00 C ATOM 338 CG1 ILE A 23 2.228 6.804 6.540 1.00 0.00 C ATOM 339 CG2 ILE A 23 0.131 6.668 5.161 1.00 0.00 C ATOM 340 CD1 ILE A 23 3.143 6.124 5.507 1.00 0.00 C ATOM 0 H ILE A 23 0.632 5.955 9.352 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.479 7.770 7.308 1.00 0.00 H new ATOM 0 HB ILE A 23 0.911 5.191 6.650 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.215 7.878 6.357 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.640 6.656 7.538 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.765 6.345 4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.847 6.195 5.075 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.014 7.751 5.126 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.147 6.542 5.579 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.181 5.053 5.704 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.750 6.294 4.505 1.00 0.00 H new ATOM 352 N GLU A 24 -2.536 6.280 7.161 1.00 0.00 N ATOM 353 CA GLU A 24 -3.756 5.493 7.081 1.00 0.00 C ATOM 354 C GLU A 24 -3.857 4.884 5.682 1.00 0.00 C ATOM 355 O GLU A 24 -4.425 5.471 4.753 1.00 0.00 O ATOM 356 CB GLU A 24 -4.901 6.398 7.512 1.00 0.00 C ATOM 357 CG GLU A 24 -6.259 5.706 7.546 1.00 0.00 C ATOM 358 CD GLU A 24 -7.356 6.589 8.165 1.00 0.00 C ATOM 359 OE1 GLU A 24 -7.024 7.630 8.792 1.00 0.00 O ATOM 360 OE2 GLU A 24 -8.537 6.191 8.043 1.00 0.00 O ATOM 0 H GLU A 24 -2.635 7.219 6.774 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.780 4.634 7.752 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.683 6.796 8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.955 7.248 6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.548 5.431 6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.177 4.781 8.116 1.00 0.00 H new ATOM 367 N LEU A 25 -3.210 3.725 5.524 1.00 0.00 N ATOM 368 CA LEU A 25 -2.932 3.125 4.230 1.00 0.00 C ATOM 369 C LEU A 25 -4.223 2.607 3.639 1.00 0.00 C ATOM 370 O LEU A 25 -4.726 1.552 4.034 1.00 0.00 O ATOM 371 CB LEU A 25 -1.914 1.987 4.306 1.00 0.00 C ATOM 372 CG LEU A 25 -0.620 2.339 5.045 1.00 0.00 C ATOM 373 CD1 LEU A 25 0.252 1.094 5.120 1.00 0.00 C ATOM 374 CD2 LEU A 25 0.125 3.425 4.274 1.00 0.00 C ATOM 0 H LEU A 25 -2.862 3.174 6.309 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.496 3.900 3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.379 1.134 4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.664 1.672 3.293 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.851 2.698 6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.178 1.330 5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.280 0.309 5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.483 0.750 4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.047 3.677 4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.364 3.062 3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.503 4.313 4.197 1.00 0.00 H new ATOM 386 N THR A 26 -4.783 3.386 2.726 1.00 0.00 N ATOM 387 CA THR A 26 -6.091 3.100 2.207 1.00 0.00 C ATOM 388 C THR A 26 -5.904 2.217 0.968 1.00 0.00 C ATOM 389 O THR A 26 -5.301 2.624 -0.028 1.00 0.00 O ATOM 390 CB THR A 26 -6.869 4.410 2.051 1.00 0.00 C ATOM 391 OG1 THR A 26 -6.838 5.119 3.284 1.00 0.00 O ATOM 392 CG2 THR A 26 -8.344 4.150 1.719 1.00 0.00 C ATOM 0 H THR A 26 -4.343 4.219 2.336 1.00 0.00 H new ATOM 0 HA THR A 26 -6.728 2.519 2.873 1.00 0.00 H new ATOM 0 HB THR A 26 -6.405 4.976 1.243 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.907 5.268 3.552 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.867 5.101 1.615 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.414 3.594 0.784 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.801 3.571 2.521 1.00 0.00 H new ATOM 400 N VAL A 27 -6.359 0.968 1.079 1.00 0.00 N ATOM 401 CA VAL A 27 -6.332 -0.045 0.027 1.00 0.00 C ATOM 402 C VAL A 27 -7.812 -0.426 -0.143 1.00 0.00 C ATOM 403 O VAL A 27 -8.469 -0.768 0.846 1.00 0.00 O ATOM 404 CB VAL A 27 -5.328 -1.200 0.373 1.00 0.00 C ATOM 405 CG1 VAL A 27 -3.989 -0.635 0.879 1.00 0.00 C ATOM 406 CG2 VAL A 27 -5.852 -2.169 1.447 1.00 0.00 C ATOM 0 H VAL A 27 -6.774 0.621 1.944 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.938 0.291 -0.932 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.200 -1.748 -0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.312 -1.457 1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.545 -0.006 0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.161 -0.041 1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.106 -2.941 1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.047 -1.620 2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.775 -2.633 1.099 1.00 0.00 H new ATOM 416 N GLU A 28 -8.391 -0.277 -1.343 1.00 0.00 N ATOM 417 CA GLU A 28 -9.723 -0.831 -1.577 1.00 0.00 C ATOM 418 C GLU A 28 -9.480 -2.312 -1.877 1.00 0.00 C ATOM 419 O GLU A 28 -9.000 -2.641 -2.962 1.00 0.00 O ATOM 420 CB GLU A 28 -10.597 -0.102 -2.632 1.00 0.00 C ATOM 421 CG GLU A 28 -10.553 1.413 -2.613 1.00 0.00 C ATOM 422 CD GLU A 28 -11.748 2.129 -3.247 1.00 0.00 C ATOM 423 OE1 GLU A 28 -12.727 2.408 -2.518 1.00 0.00 O ATOM 424 OE2 GLU A 28 -11.651 2.581 -4.413 1.00 0.00 O ATOM 0 H GLU A 28 -7.973 0.205 -2.138 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.347 -0.685 -0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.291 -0.440 -3.622 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.632 -0.415 -2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.467 1.741 -1.577 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.647 1.736 -3.126 1.00 0.00 H new ATOM 431 N SER A 29 -9.696 -3.192 -0.889 1.00 0.00 N ATOM 432 CA SER A 29 -9.634 -4.636 -1.089 1.00 0.00 C ATOM 433 C SER A 29 -10.420 -5.341 0.001 1.00 0.00 C ATOM 434 O SER A 29 -10.558 -4.820 1.107 1.00 0.00 O ATOM 435 CB SER A 29 -8.196 -5.160 -1.038 1.00 0.00 C ATOM 436 OG SER A 29 -8.126 -6.314 -1.851 1.00 0.00 O ATOM 0 H SER A 29 -9.918 -2.917 0.068 1.00 0.00 H new ATOM 0 HA SER A 29 -10.054 -4.839 -2.074 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.500 -4.400 -1.393 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.912 -5.398 -0.013 1.00 0.00 H new ATOM 0 HG SER A 29 -7.299 -6.802 -1.656 1.00 0.00 H new ATOM 442 N SER A 30 -10.880 -6.555 -0.294 1.00 0.00 N ATOM 443 CA SER A 30 -11.636 -7.385 0.631 1.00 0.00 C ATOM 444 C SER A 30 -10.852 -7.569 1.938 1.00 0.00 C ATOM 445 O SER A 30 -9.622 -7.644 1.925 1.00 0.00 O ATOM 446 CB SER A 30 -11.911 -8.723 -0.058 1.00 0.00 C ATOM 447 OG SER A 30 -12.488 -8.493 -1.334 1.00 0.00 O ATOM 0 H SER A 30 -10.733 -6.995 -1.202 1.00 0.00 H new ATOM 0 HA SER A 30 -12.583 -6.913 0.893 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.984 -9.286 -0.163 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.583 -9.326 0.552 1.00 0.00 H new ATOM 0 HG SER A 30 -12.662 -9.351 -1.774 1.00 0.00 H new ATOM 453 N ALA A 31 -11.552 -7.649 3.076 1.00 0.00 N ATOM 454 CA ALA A 31 -10.915 -7.583 4.390 1.00 0.00 C ATOM 455 C ALA A 31 -9.784 -8.600 4.552 1.00 0.00 C ATOM 456 O ALA A 31 -8.747 -8.279 5.127 1.00 0.00 O ATOM 457 CB ALA A 31 -11.962 -7.790 5.487 1.00 0.00 C ATOM 0 H ALA A 31 -12.565 -7.760 3.109 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.469 -6.592 4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.481 -7.740 6.464 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.722 -7.012 5.416 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.430 -8.766 5.363 1.00 0.00 H new ATOM 463 N GLU A 32 -9.952 -9.820 4.033 1.00 0.00 N ATOM 464 CA GLU A 32 -8.979 -10.873 4.273 1.00 0.00 C ATOM 465 C GLU A 32 -7.897 -10.976 3.200 1.00 0.00 C ATOM 466 O GLU A 32 -6.820 -11.528 3.433 1.00 0.00 O ATOM 467 CB GLU A 32 -9.688 -12.193 4.554 1.00 0.00 C ATOM 468 CG GLU A 32 -8.969 -12.847 5.745 1.00 0.00 C ATOM 469 CD GLU A 32 -9.654 -14.048 6.393 1.00 0.00 C ATOM 470 OE1 GLU A 32 -10.497 -14.697 5.740 1.00 0.00 O ATOM 471 OE2 GLU A 32 -9.302 -14.281 7.576 1.00 0.00 O ATOM 0 H GLU A 32 -10.744 -10.094 3.452 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.421 -10.599 5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.740 -12.024 4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.654 -12.843 3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.979 -13.160 5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.822 -12.086 6.512 1.00 0.00 H new ATOM 478 N ASP A 33 -8.136 -10.343 2.056 1.00 0.00 N ATOM 479 CA ASP A 33 -7.103 -9.973 1.114 1.00 0.00 C ATOM 480 C ASP A 33 -6.175 -8.961 1.815 1.00 0.00 C ATOM 481 O ASP A 33 -4.964 -9.165 1.892 1.00 0.00 O ATOM 482 CB ASP A 33 -7.810 -9.463 -0.149 1.00 0.00 C ATOM 483 CG ASP A 33 -6.869 -9.079 -1.275 1.00 0.00 C ATOM 484 OD1 ASP A 33 -6.443 -7.897 -1.259 1.00 0.00 O ATOM 485 OD2 ASP A 33 -6.689 -9.925 -2.182 1.00 0.00 O ATOM 0 H ASP A 33 -9.073 -10.071 1.759 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.461 -10.794 0.797 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.492 -10.235 -0.507 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.418 -8.597 0.113 1.00 0.00 H new ATOM 490 N LEU A 34 -6.762 -7.962 2.493 1.00 0.00 N ATOM 491 CA LEU A 34 -6.071 -6.957 3.314 1.00 0.00 C ATOM 492 C LEU A 34 -5.314 -7.583 4.489 1.00 0.00 C ATOM 493 O LEU A 34 -4.240 -7.137 4.867 1.00 0.00 O ATOM 494 CB LEU A 34 -7.072 -5.863 3.744 1.00 0.00 C ATOM 495 CG LEU A 34 -6.783 -5.091 5.060 1.00 0.00 C ATOM 496 CD1 LEU A 34 -7.424 -3.707 4.941 1.00 0.00 C ATOM 497 CD2 LEU A 34 -7.372 -5.735 6.325 1.00 0.00 C ATOM 0 H LEU A 34 -7.773 -7.828 2.483 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.298 -6.482 2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.138 -5.134 2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.054 -6.326 3.837 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.699 -5.078 5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.237 -3.140 5.853 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.993 -3.178 4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.499 -3.815 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.120 -5.127 7.194 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.456 -5.800 6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.959 -6.736 6.450 1.00 0.00 H new ATOM 509 N ARG A 35 -5.890 -8.628 5.058 1.00 0.00 N ATOM 510 CA ARG A 35 -5.380 -9.421 6.179 1.00 0.00 C ATOM 511 C ARG A 35 -4.212 -10.266 5.719 1.00 0.00 C ATOM 512 O ARG A 35 -3.209 -10.336 6.417 1.00 0.00 O ATOM 513 CB ARG A 35 -6.447 -10.351 6.767 1.00 0.00 C ATOM 514 CG ARG A 35 -6.041 -10.949 8.124 1.00 0.00 C ATOM 515 CD ARG A 35 -7.060 -11.990 8.606 1.00 0.00 C ATOM 516 NE ARG A 35 -6.701 -12.508 9.933 1.00 0.00 N ATOM 517 CZ ARG A 35 -7.229 -13.583 10.538 1.00 0.00 C ATOM 518 NH1 ARG A 35 -8.169 -14.337 9.965 1.00 0.00 N ATOM 519 NH2 ARG A 35 -6.799 -13.911 11.758 1.00 0.00 N ATOM 0 H ARG A 35 -6.791 -8.975 4.730 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.073 -8.717 6.953 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.379 -9.798 6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.643 -11.160 6.064 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.058 -11.412 8.039 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.955 -10.152 8.863 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.053 -11.541 8.644 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.109 -12.813 7.892 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.979 -12.001 10.445 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.512 -14.104 9.033 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.545 -15.147 10.459 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.081 -13.348 12.214 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.188 -14.725 12.234 1.00 0.00 H new ATOM 533 N THR A 36 -4.323 -10.907 4.563 1.00 0.00 N ATOM 534 CA THR A 36 -3.202 -11.622 3.961 1.00 0.00 C ATOM 535 C THR A 36 -2.034 -10.633 3.796 1.00 0.00 C ATOM 536 O THR A 36 -0.919 -10.881 4.257 1.00 0.00 O ATOM 537 CB THR A 36 -3.657 -12.286 2.648 1.00 0.00 C ATOM 538 OG1 THR A 36 -4.817 -13.069 2.874 1.00 0.00 O ATOM 539 CG2 THR A 36 -2.574 -13.221 2.098 1.00 0.00 C ATOM 0 H THR A 36 -5.185 -10.947 4.019 1.00 0.00 H new ATOM 0 HA THR A 36 -2.849 -12.435 4.595 1.00 0.00 H new ATOM 0 HB THR A 36 -3.858 -11.487 1.934 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.612 -12.499 2.817 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.923 -13.676 1.171 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.666 -12.651 1.903 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.363 -14.002 2.828 1.00 0.00 H new ATOM 547 N LEU A 37 -2.331 -9.448 3.259 1.00 0.00 N ATOM 548 CA LEU A 37 -1.430 -8.307 3.187 1.00 0.00 C ATOM 549 C LEU A 37 -0.925 -7.868 4.579 1.00 0.00 C ATOM 550 O LEU A 37 0.255 -7.571 4.732 1.00 0.00 O ATOM 551 CB LEU A 37 -2.146 -7.236 2.337 1.00 0.00 C ATOM 552 CG LEU A 37 -1.976 -5.769 2.726 1.00 0.00 C ATOM 553 CD1 LEU A 37 -0.540 -5.269 2.446 1.00 0.00 C ATOM 554 CD2 LEU A 37 -2.915 -4.933 1.853 1.00 0.00 C ATOM 0 H LEU A 37 -3.244 -9.254 2.847 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.491 -8.548 2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.807 -7.348 1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.212 -7.461 2.348 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.192 -5.673 3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.457 -4.221 2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.171 -5.862 3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.320 -5.371 1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.812 -3.879 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.658 -5.075 0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.945 -5.249 2.021 1.00 0.00 H new ATOM 566 N GLN A 38 -1.745 -7.902 5.631 1.00 0.00 N ATOM 567 CA GLN A 38 -1.321 -7.638 7.003 1.00 0.00 C ATOM 568 C GLN A 38 -0.297 -8.683 7.462 1.00 0.00 C ATOM 569 O GLN A 38 0.645 -8.342 8.178 1.00 0.00 O ATOM 570 CB GLN A 38 -2.558 -7.566 7.899 1.00 0.00 C ATOM 571 CG GLN A 38 -2.330 -7.379 9.399 1.00 0.00 C ATOM 572 CD GLN A 38 -3.670 -7.641 10.075 1.00 0.00 C ATOM 573 OE1 GLN A 38 -3.953 -8.762 10.494 1.00 0.00 O ATOM 574 NE2 GLN A 38 -4.551 -6.646 10.071 1.00 0.00 N ATOM 0 H GLN A 38 -2.739 -8.118 5.550 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.812 -6.676 7.067 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.181 -6.743 7.548 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.131 -8.483 7.757 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.569 -8.069 9.765 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.977 -6.371 9.615 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.282 -5.728 9.716 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.496 -6.800 10.423 1.00 0.00 H new ATOM 583 N GLN A 39 -0.420 -9.938 7.014 1.00 0.00 N ATOM 584 CA GLN A 39 0.593 -10.941 7.289 1.00 0.00 C ATOM 585 C GLN A 39 1.870 -10.617 6.503 1.00 0.00 C ATOM 586 O GLN A 39 2.962 -10.846 7.011 1.00 0.00 O ATOM 587 CB GLN A 39 0.106 -12.370 7.035 1.00 0.00 C ATOM 588 CG GLN A 39 -1.301 -12.686 7.566 1.00 0.00 C ATOM 589 CD GLN A 39 -1.656 -12.091 8.937 1.00 0.00 C ATOM 590 OE1 GLN A 39 -1.161 -12.530 9.967 1.00 0.00 O ATOM 591 NE2 GLN A 39 -2.539 -11.097 8.960 1.00 0.00 N ATOM 0 H GLN A 39 -1.210 -10.274 6.463 1.00 0.00 H new ATOM 0 HA GLN A 39 0.818 -10.902 8.355 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.122 -12.557 5.961 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.813 -13.064 7.490 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.030 -12.330 6.838 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.411 -13.769 7.623 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.937 -10.748 8.088 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.818 -10.683 9.850 1.00 0.00 H new ATOM 600 N LEU A 40 1.755 -10.020 5.308 1.00 0.00 N ATOM 601 CA LEU A 40 2.903 -9.475 4.575 1.00 0.00 C ATOM 602 C LEU A 40 3.571 -8.288 5.312 1.00 0.00 C ATOM 603 O LEU A 40 4.795 -8.157 5.253 1.00 0.00 O ATOM 604 CB LEU A 40 2.543 -9.144 3.113 1.00 0.00 C ATOM 605 CG LEU A 40 1.985 -10.340 2.309 1.00 0.00 C ATOM 606 CD1 LEU A 40 1.521 -9.872 0.929 1.00 0.00 C ATOM 607 CD2 LEU A 40 2.999 -11.476 2.127 1.00 0.00 C ATOM 0 H LEU A 40 0.865 -9.902 4.825 1.00 0.00 H new ATOM 0 HA LEU A 40 3.657 -10.261 4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.806 -8.341 3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.432 -8.766 2.609 1.00 0.00 H new ATOM 0 HG LEU A 40 1.151 -10.734 2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.129 -10.721 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.739 -9.121 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.363 -9.439 0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.542 -12.283 1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.873 -11.102 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.304 -11.852 3.104 1.00 0.00 H new ATOM 619 N PHE A 41 2.828 -7.471 6.082 1.00 0.00 N ATOM 620 CA PHE A 41 3.445 -6.506 7.015 1.00 0.00 C ATOM 621 C PHE A 41 4.206 -7.247 8.112 1.00 0.00 C ATOM 622 O PHE A 41 5.362 -6.930 8.379 1.00 0.00 O ATOM 623 CB PHE A 41 2.443 -5.526 7.656 1.00 0.00 C ATOM 624 CG PHE A 41 1.954 -4.380 6.788 1.00 0.00 C ATOM 625 CD1 PHE A 41 0.829 -4.554 5.968 1.00 0.00 C ATOM 626 CD2 PHE A 41 2.558 -3.109 6.862 1.00 0.00 C ATOM 627 CE1 PHE A 41 0.311 -3.488 5.224 1.00 0.00 C ATOM 628 CE2 PHE A 41 2.060 -2.043 6.090 1.00 0.00 C ATOM 629 CZ PHE A 41 0.946 -2.242 5.259 1.00 0.00 C ATOM 0 H PHE A 41 1.808 -7.458 6.078 1.00 0.00 H new ATOM 0 HA PHE A 41 4.126 -5.905 6.413 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.575 -6.096 7.987 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.905 -5.103 8.548 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.357 -5.523 5.910 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.405 -2.953 7.513 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.577 -3.627 4.624 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.534 -1.074 6.137 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.579 -1.432 4.646 1.00 0.00 H new ATOM 639 N LEU A 42 3.561 -8.235 8.743 1.00 0.00 N ATOM 640 CA LEU A 42 4.168 -9.031 9.809 1.00 0.00 C ATOM 641 C LEU A 42 5.392 -9.828 9.321 1.00 0.00 C ATOM 642 O LEU A 42 6.277 -10.126 10.118 1.00 0.00 O ATOM 643 CB LEU A 42 3.095 -9.954 10.410 1.00 0.00 C ATOM 644 CG LEU A 42 2.039 -9.210 11.256 1.00 0.00 C ATOM 645 CD1 LEU A 42 0.832 -10.118 11.517 1.00 0.00 C ATOM 646 CD2 LEU A 42 2.609 -8.739 12.602 1.00 0.00 C ATOM 0 H LEU A 42 2.601 -8.503 8.526 1.00 0.00 H new ATOM 0 HA LEU A 42 4.542 -8.357 10.579 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.592 -10.485 9.602 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.582 -10.706 11.032 1.00 0.00 H new ATOM 0 HG LEU A 42 1.733 -8.333 10.686 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.095 -9.581 12.114 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.385 -10.411 10.567 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.156 -11.009 12.055 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.833 -8.221 13.165 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.956 -9.601 13.172 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.444 -8.061 12.426 1.00 0.00 H new ATOM 658 N SER A 43 5.444 -10.150 8.024 1.00 0.00 N ATOM 659 CA SER A 43 6.579 -10.673 7.276 1.00 0.00 C ATOM 660 C SER A 43 7.677 -9.605 7.179 1.00 0.00 C ATOM 661 O SER A 43 8.623 -9.655 7.966 1.00 0.00 O ATOM 662 CB SER A 43 6.038 -11.159 5.920 1.00 0.00 C ATOM 663 OG SER A 43 6.970 -11.279 4.870 1.00 0.00 O ATOM 0 H SER A 43 4.624 -10.041 7.427 1.00 0.00 H new ATOM 0 HA SER A 43 7.055 -11.520 7.770 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.569 -12.131 6.070 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.254 -10.472 5.601 1.00 0.00 H new ATOM 0 HG SER A 43 6.520 -11.122 4.014 1.00 0.00 H new ATOM 669 N THR A 44 7.575 -8.651 6.235 1.00 0.00 N ATOM 670 CA THR A 44 8.561 -7.585 6.049 1.00 0.00 C ATOM 671 C THR A 44 8.004 -6.194 5.761 1.00 0.00 C ATOM 672 O THR A 44 8.733 -5.215 5.909 1.00 0.00 O ATOM 673 CB THR A 44 9.666 -7.944 5.020 1.00 0.00 C ATOM 674 OG1 THR A 44 9.280 -8.259 3.683 1.00 0.00 O ATOM 675 CG2 THR A 44 10.450 -9.151 5.506 1.00 0.00 C ATOM 0 H THR A 44 6.797 -8.603 5.577 1.00 0.00 H new ATOM 0 HA THR A 44 9.008 -7.520 7.041 1.00 0.00 H new ATOM 0 HB THR A 44 10.223 -7.008 4.965 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.663 -7.574 3.350 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.224 -9.398 4.780 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.913 -8.922 6.466 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.776 -10.000 5.622 1.00 0.00 H new ATOM 683 N LEU A 45 6.758 -6.107 5.307 1.00 0.00 N ATOM 684 CA LEU A 45 6.271 -4.907 4.632 1.00 0.00 C ATOM 685 C LEU A 45 6.082 -3.717 5.569 1.00 0.00 C ATOM 686 O LEU A 45 5.636 -3.841 6.709 1.00 0.00 O ATOM 687 CB LEU A 45 4.981 -5.220 3.846 1.00 0.00 C ATOM 688 CG LEU A 45 4.635 -4.168 2.772 1.00 0.00 C ATOM 689 CD1 LEU A 45 4.153 -4.868 1.502 1.00 0.00 C ATOM 690 CD2 LEU A 45 3.530 -3.207 3.223 1.00 0.00 C ATOM 0 H LEU A 45 6.067 -6.852 5.394 1.00 0.00 H new ATOM 0 HA LEU A 45 7.047 -4.603 3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.086 -6.194 3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.150 -5.297 4.547 1.00 0.00 H new ATOM 0 HG LEU A 45 5.544 -3.594 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.909 -4.122 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.940 -5.522 1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.266 -5.460 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.327 -2.488 2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.624 -3.772 3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.852 -2.677 4.119 1.00 0.00 H new ATOM 702 N SER A 46 6.366 -2.520 5.057 1.00 0.00 N ATOM 703 CA SER A 46 5.863 -1.257 5.574 1.00 0.00 C ATOM 704 C SER A 46 5.816 -0.260 4.412 1.00 0.00 C ATOM 705 O SER A 46 6.356 -0.524 3.334 1.00 0.00 O ATOM 706 CB SER A 46 6.712 -0.791 6.756 1.00 0.00 C ATOM 707 OG SER A 46 6.459 -1.640 7.858 1.00 0.00 O ATOM 0 H SER A 46 6.972 -2.404 4.245 1.00 0.00 H new ATOM 0 HA SER A 46 4.852 -1.359 5.969 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.770 -0.816 6.495 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.471 0.241 7.011 1.00 0.00 H new ATOM 0 HG SER A 46 5.844 -2.353 7.587 1.00 0.00 H new ATOM 713 N PHE A 47 5.128 0.868 4.608 1.00 0.00 N ATOM 714 CA PHE A 47 4.763 1.781 3.543 1.00 0.00 C ATOM 715 C PHE A 47 5.570 3.064 3.672 1.00 0.00 C ATOM 716 O PHE A 47 6.149 3.368 4.715 1.00 0.00 O ATOM 717 CB PHE A 47 3.258 2.039 3.562 1.00 0.00 C ATOM 718 CG PHE A 47 2.706 2.542 2.238 1.00 0.00 C ATOM 719 CD1 PHE A 47 2.653 3.921 1.954 1.00 0.00 C ATOM 720 CD2 PHE A 47 2.245 1.618 1.282 1.00 0.00 C ATOM 721 CE1 PHE A 47 2.187 4.368 0.705 1.00 0.00 C ATOM 722 CE2 PHE A 47 1.772 2.065 0.036 1.00 0.00 C ATOM 723 CZ PHE A 47 1.753 3.439 -0.257 1.00 0.00 C ATOM 0 H PHE A 47 4.808 1.169 5.528 1.00 0.00 H new ATOM 0 HA PHE A 47 4.999 1.337 2.576 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.744 1.117 3.833 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.034 2.769 4.340 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.971 4.637 2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.255 0.562 1.506 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.162 5.425 0.485 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.423 1.352 -0.696 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.405 3.781 -1.220 1.00 0.00 H new ATOM 733 N VAL A 48 5.623 3.776 2.555 1.00 0.00 N ATOM 734 CA VAL A 48 6.610 4.771 2.211 1.00 0.00 C ATOM 735 C VAL A 48 5.789 5.877 1.565 1.00 0.00 C ATOM 736 O VAL A 48 5.453 5.814 0.383 1.00 0.00 O ATOM 737 CB VAL A 48 7.716 4.115 1.329 1.00 0.00 C ATOM 738 CG1 VAL A 48 9.145 4.683 1.165 1.00 0.00 C ATOM 739 CG2 VAL A 48 8.088 2.808 1.980 1.00 0.00 C ATOM 0 H VAL A 48 4.926 3.660 1.819 1.00 0.00 H new ATOM 0 HA VAL A 48 7.177 5.194 3.040 1.00 0.00 H new ATOM 0 HB VAL A 48 7.216 4.201 0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.718 4.039 0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.091 5.686 0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.634 4.725 2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.862 2.316 1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.462 2.996 2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.209 2.165 2.034 1.00 0.00 H new ATOM 749 N CYS A 49 5.347 6.821 2.406 1.00 0.00 N ATOM 750 CA CYS A 49 4.476 7.927 2.009 1.00 0.00 C ATOM 751 C CYS A 49 5.108 8.670 0.823 1.00 0.00 C ATOM 752 O CYS A 49 6.335 8.731 0.758 1.00 0.00 O ATOM 753 CB CYS A 49 4.279 8.857 3.219 1.00 0.00 C ATOM 754 SG CYS A 49 5.773 9.242 4.186 1.00 0.00 S ATOM 0 H CYS A 49 5.590 6.835 3.396 1.00 0.00 H new ATOM 0 HA CYS A 49 3.500 7.558 1.692 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.849 9.794 2.865 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.547 8.402 3.886 1.00 0.00 H new ATOM 759 N PRO A 50 4.331 9.284 -0.094 1.00 0.00 N ATOM 760 CA PRO A 50 4.894 9.882 -1.308 1.00 0.00 C ATOM 761 C PRO A 50 5.990 10.923 -1.029 1.00 0.00 C ATOM 762 O PRO A 50 6.941 11.033 -1.806 1.00 0.00 O ATOM 763 CB PRO A 50 3.707 10.454 -2.093 1.00 0.00 C ATOM 764 CG PRO A 50 2.558 10.493 -1.083 1.00 0.00 C ATOM 765 CD PRO A 50 2.876 9.332 -0.144 1.00 0.00 C ATOM 0 HA PRO A 50 5.418 9.126 -1.894 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.929 11.449 -2.479 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.460 9.828 -2.950 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.523 11.443 -0.550 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.591 10.364 -1.569 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.451 9.496 0.846 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.462 8.396 -0.518 1.00 0.00 H new ATOM 773 N TRP A 51 5.908 11.624 0.109 1.00 0.00 N ATOM 774 CA TRP A 51 6.984 12.455 0.632 1.00 0.00 C ATOM 775 C TRP A 51 8.275 11.642 0.797 1.00 0.00 C ATOM 776 O TRP A 51 9.280 11.963 0.160 1.00 0.00 O ATOM 777 CB TRP A 51 6.538 13.100 1.956 1.00 0.00 C ATOM 778 CG TRP A 51 7.609 13.814 2.729 1.00 0.00 C ATOM 779 CD1 TRP A 51 8.711 14.392 2.201 1.00 0.00 C ATOM 780 CD2 TRP A 51 7.732 13.989 4.175 1.00 0.00 C ATOM 781 NE1 TRP A 51 9.528 14.856 3.207 1.00 0.00 N ATOM 782 CE2 TRP A 51 8.965 14.654 4.450 1.00 0.00 C ATOM 783 CE3 TRP A 51 6.930 13.642 5.286 1.00 0.00 C ATOM 784 CZ2 TRP A 51 9.383 14.952 5.756 1.00 0.00 C ATOM 785 CZ3 TRP A 51 7.335 13.944 6.599 1.00 0.00 C ATOM 786 CH2 TRP A 51 8.559 14.597 6.836 1.00 0.00 C ATOM 0 H TRP A 51 5.075 11.625 0.697 1.00 0.00 H new ATOM 0 HA TRP A 51 7.203 13.251 -0.080 1.00 0.00 H new ATOM 0 HB2 TRP A 51 5.738 13.808 1.742 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.114 12.323 2.592 1.00 0.00 H new ATOM 0 HD1 TRP A 51 8.920 14.477 1.145 1.00 0.00 H new ATOM 0 HE1 TRP A 51 10.436 15.294 3.053 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.990 13.136 5.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 10.327 15.448 5.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.702 13.673 7.431 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.864 14.825 7.847 1.00 0.00 H new ATOM 797 N CYS A 52 8.265 10.597 1.635 1.00 0.00 N ATOM 798 CA CYS A 52 9.455 9.797 1.892 1.00 0.00 C ATOM 799 C CYS A 52 9.886 9.016 0.657 1.00 0.00 C ATOM 800 O CYS A 52 11.076 8.786 0.486 1.00 0.00 O ATOM 801 CB CYS A 52 9.254 8.851 3.078 1.00 0.00 C ATOM 802 SG CYS A 52 8.734 7.198 2.824 1.00 0.00 S ATOM 0 H CYS A 52 7.437 10.290 2.146 1.00 0.00 H new ATOM 0 HA CYS A 52 10.253 10.495 2.146 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.199 8.810 3.620 1.00 0.00 H new ATOM 0 HB3 CYS A 52 8.526 9.318 3.741 1.00 0.00 H new ATOM 807 N ALA A 53 8.944 8.630 -0.210 1.00 0.00 N ATOM 808 CA ALA A 53 9.271 7.970 -1.459 1.00 0.00 C ATOM 809 C ALA A 53 10.062 8.915 -2.374 1.00 0.00 C ATOM 810 O ALA A 53 10.969 8.474 -3.076 1.00 0.00 O ATOM 811 CB ALA A 53 7.990 7.487 -2.145 1.00 0.00 C ATOM 0 H ALA A 53 7.945 8.769 -0.059 1.00 0.00 H new ATOM 0 HA ALA A 53 9.898 7.103 -1.249 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.244 6.992 -3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.471 6.785 -1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.342 8.340 -2.348 1.00 0.00 H new ATOM 817 N THR A 54 9.722 10.210 -2.354 1.00 0.00 N ATOM 818 CA THR A 54 10.400 11.247 -3.125 1.00 0.00 C ATOM 819 C THR A 54 11.743 11.637 -2.483 1.00 0.00 C ATOM 820 O THR A 54 12.725 11.816 -3.196 1.00 0.00 O ATOM 821 CB THR A 54 9.469 12.469 -3.268 1.00 0.00 C ATOM 822 OG1 THR A 54 8.198 12.081 -3.749 1.00 0.00 O ATOM 823 CG2 THR A 54 10.019 13.513 -4.245 1.00 0.00 C ATOM 0 H THR A 54 8.952 10.568 -1.789 1.00 0.00 H new ATOM 0 HA THR A 54 10.627 10.857 -4.117 1.00 0.00 H new ATOM 0 HB THR A 54 9.398 12.903 -2.271 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.624 11.833 -2.994 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.326 14.352 -4.309 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.987 13.868 -3.891 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.136 13.063 -5.231 1.00 0.00 H new ATOM 831 N ASN A 55 11.786 11.833 -1.156 1.00 0.00 N ATOM 832 CA ASN A 55 12.975 12.329 -0.441 1.00 0.00 C ATOM 833 C ASN A 55 14.006 11.225 -0.210 1.00 0.00 C ATOM 834 O ASN A 55 15.195 11.433 -0.436 1.00 0.00 O ATOM 835 CB ASN A 55 12.578 12.921 0.929 1.00 0.00 C ATOM 836 CG ASN A 55 11.928 14.298 0.864 1.00 0.00 C ATOM 837 OD1 ASN A 55 11.944 15.054 1.830 1.00 0.00 O ATOM 838 ND2 ASN A 55 11.308 14.646 -0.254 1.00 0.00 N ATOM 0 H ASN A 55 10.991 11.651 -0.543 1.00 0.00 H new ATOM 0 HA ASN A 55 13.419 13.099 -1.071 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.891 12.233 1.421 1.00 0.00 H new ATOM 0 HB3 ASN A 55 13.469 12.984 1.554 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.839 15.549 -0.317 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.300 14.011 -1.052 1.00 0.00 H new ATOM 845 N GLN A 56 13.512 10.073 0.243 1.00 0.00 N ATOM 846 CA GLN A 56 14.243 8.913 0.740 1.00 0.00 C ATOM 847 C GLN A 56 15.334 9.304 1.750 1.00 0.00 C ATOM 848 O GLN A 56 14.965 10.004 2.717 1.00 0.00 O ATOM 849 CB GLN A 56 14.709 8.067 -0.457 1.00 0.00 C ATOM 850 CG GLN A 56 15.117 6.643 -0.044 1.00 0.00 C ATOM 851 CD GLN A 56 16.524 6.293 -0.515 1.00 0.00 C ATOM 852 OE1 GLN A 56 16.700 5.408 -1.347 1.00 0.00 O ATOM 853 NE2 GLN A 56 17.538 6.951 0.023 1.00 0.00 N ATOM 0 H GLN A 56 12.504 9.917 0.273 1.00 0.00 H new ATOM 0 HA GLN A 56 13.588 8.273 1.332 1.00 0.00 H new ATOM 0 HB2 GLN A 56 13.908 8.013 -1.194 1.00 0.00 H new ATOM 0 HB3 GLN A 56 15.554 8.559 -0.939 1.00 0.00 H new ATOM 0 HG2 GLN A 56 15.064 6.551 1.041 1.00 0.00 H new ATOM 0 HG3 GLN A 56 14.407 5.928 -0.459 1.00 0.00 H new ATOM 0 HE21 GLN A 56 17.363 7.682 0.712 1.00 0.00 H new ATOM 0 HE22 GLN A 56 18.494 6.727 -0.252 1.00 0.00 H new TER 862 GLN A 56 ATOM 863 N GLY B 1 20.149 8.668 5.253 1.00 0.00 N ATOM 864 CA GLY B 1 21.034 8.650 6.433 1.00 0.00 C ATOM 865 C GLY B 1 21.673 7.278 6.498 1.00 0.00 C ATOM 866 O GLY B 1 20.952 6.304 6.682 1.00 0.00 O ATOM 0 H1 GLY B 1 20.002 9.650 4.944 1.00 0.00 H new ATOM 0 H2 GLY B 1 20.587 8.125 4.482 1.00 0.00 H new ATOM 0 H3 GLY B 1 19.233 8.242 5.500 1.00 0.00 H new ATOM 0 HA2 GLY B 1 21.796 9.425 6.353 1.00 0.00 H new ATOM 0 HA3 GLY B 1 20.467 8.853 7.341 1.00 0.00 H new ATOM 870 N SER B 2 22.978 7.194 6.203 1.00 0.00 N ATOM 871 CA SER B 2 23.500 6.135 5.333 1.00 0.00 C ATOM 872 C SER B 2 22.734 6.133 3.991 1.00 0.00 C ATOM 873 O SER B 2 21.948 7.049 3.712 1.00 0.00 O ATOM 874 CB SER B 2 23.513 4.776 6.061 1.00 0.00 C ATOM 875 OG SER B 2 24.305 3.844 5.348 1.00 0.00 O ATOM 0 H SER B 2 23.685 7.842 6.551 1.00 0.00 H new ATOM 0 HA SER B 2 24.544 6.334 5.089 1.00 0.00 H new ATOM 0 HB2 SER B 2 23.906 4.900 7.070 1.00 0.00 H new ATOM 0 HB3 SER B 2 22.495 4.399 6.159 1.00 0.00 H new ATOM 0 HG SER B 2 24.306 2.986 5.822 1.00 0.00 H new ATOM 881 N HIS B 3 22.987 5.130 3.147 1.00 0.00 N ATOM 882 CA HIS B 3 22.244 4.886 1.920 1.00 0.00 C ATOM 883 C HIS B 3 21.990 3.384 1.799 1.00 0.00 C ATOM 884 O HIS B 3 22.808 2.643 1.257 1.00 0.00 O ATOM 885 CB HIS B 3 22.956 5.489 0.697 1.00 0.00 C ATOM 886 CG HIS B 3 22.035 5.603 -0.495 1.00 0.00 C ATOM 887 ND1 HIS B 3 21.536 6.777 -1.019 1.00 0.00 N ATOM 888 CD2 HIS B 3 21.502 4.568 -1.218 1.00 0.00 C ATOM 889 CE1 HIS B 3 20.724 6.451 -2.040 1.00 0.00 C ATOM 890 NE2 HIS B 3 20.659 5.119 -2.188 1.00 0.00 N ATOM 0 H HIS B 3 23.732 4.452 3.306 1.00 0.00 H new ATOM 0 HA HIS B 3 21.279 5.392 1.957 1.00 0.00 H new ATOM 0 HB2 HIS B 3 23.342 6.476 0.952 1.00 0.00 H new ATOM 0 HB3 HIS B 3 23.813 4.869 0.435 1.00 0.00 H new ATOM 0 HD2 HIS B 3 21.698 3.517 -1.066 1.00 0.00 H new ATOM 0 HE1 HIS B 3 20.196 7.164 -2.657 1.00 0.00 H new ATOM 0 HE2 HIS B 3 20.103 4.608 -2.874 1.00 0.00 H new ATOM 898 N MET B 4 20.850 2.951 2.338 1.00 0.00 N ATOM 899 CA MET B 4 20.328 1.594 2.242 1.00 0.00 C ATOM 900 C MET B 4 20.191 1.199 0.767 1.00 0.00 C ATOM 901 O MET B 4 19.755 2.010 -0.056 1.00 0.00 O ATOM 902 CB MET B 4 18.972 1.546 2.974 1.00 0.00 C ATOM 903 CG MET B 4 19.143 1.433 4.497 1.00 0.00 C ATOM 904 SD MET B 4 19.856 2.887 5.327 1.00 0.00 S ATOM 905 CE MET B 4 20.199 2.180 6.960 1.00 0.00 C ATOM 0 H MET B 4 20.241 3.567 2.877 1.00 0.00 H new ATOM 0 HA MET B 4 21.006 0.880 2.710 1.00 0.00 H new ATOM 0 HB2 MET B 4 18.401 2.444 2.739 1.00 0.00 H new ATOM 0 HB3 MET B 4 18.394 0.697 2.610 1.00 0.00 H new ATOM 0 HG2 MET B 4 18.168 1.229 4.938 1.00 0.00 H new ATOM 0 HG3 MET B 4 19.776 0.571 4.709 1.00 0.00 H new ATOM 0 HE1 MET B 4 20.642 2.942 7.601 1.00 0.00 H new ATOM 0 HE2 MET B 4 19.269 1.827 7.406 1.00 0.00 H new ATOM 0 HE3 MET B 4 20.892 1.345 6.857 1.00 0.00 H new ATOM 915 N ALA B 5 20.549 -0.039 0.416 1.00 0.00 N ATOM 916 CA ALA B 5 20.589 -0.553 -0.940 1.00 0.00 C ATOM 917 C ALA B 5 19.985 -1.952 -1.080 1.00 0.00 C ATOM 918 O ALA B 5 20.244 -2.667 -2.047 1.00 0.00 O ATOM 919 CB ALA B 5 22.028 -0.478 -1.458 1.00 0.00 C ATOM 0 H ALA B 5 20.830 -0.735 1.106 1.00 0.00 H new ATOM 0 HA ALA B 5 19.952 0.076 -1.562 1.00 0.00 H new ATOM 0 HB1 ALA B 5 22.068 -0.862 -2.477 1.00 0.00 H new ATOM 0 HB2 ALA B 5 22.365 0.559 -1.448 1.00 0.00 H new ATOM 0 HB3 ALA B 5 22.677 -1.077 -0.819 1.00 0.00 H new ATOM 925 N GLU B 6 19.181 -2.333 -0.096 1.00 0.00 N ATOM 926 CA GLU B 6 18.742 -3.706 0.115 1.00 0.00 C ATOM 927 C GLU B 6 17.439 -3.976 -0.665 1.00 0.00 C ATOM 928 O GLU B 6 16.654 -3.044 -0.886 1.00 0.00 O ATOM 929 CB GLU B 6 18.575 -3.966 1.625 1.00 0.00 C ATOM 930 CG GLU B 6 19.885 -3.820 2.430 1.00 0.00 C ATOM 931 CD GLU B 6 20.392 -2.376 2.497 1.00 0.00 C ATOM 932 OE1 GLU B 6 19.585 -1.488 2.840 1.00 0.00 O ATOM 933 OE2 GLU B 6 21.533 -2.113 2.063 1.00 0.00 O ATOM 0 H GLU B 6 18.807 -1.681 0.594 1.00 0.00 H new ATOM 0 HA GLU B 6 19.494 -4.397 -0.265 1.00 0.00 H new ATOM 0 HB2 GLU B 6 17.835 -3.273 2.024 1.00 0.00 H new ATOM 0 HB3 GLU B 6 18.180 -4.972 1.770 1.00 0.00 H new ATOM 0 HG2 GLU B 6 19.725 -4.190 3.443 1.00 0.00 H new ATOM 0 HG3 GLU B 6 20.653 -4.448 1.979 1.00 0.00 H new ATOM 940 N PRO B 7 17.176 -5.237 -1.072 1.00 0.00 N ATOM 941 CA PRO B 7 16.016 -5.633 -1.875 1.00 0.00 C ATOM 942 C PRO B 7 14.729 -5.687 -1.037 1.00 0.00 C ATOM 943 O PRO B 7 14.050 -6.714 -0.964 1.00 0.00 O ATOM 944 CB PRO B 7 16.412 -6.979 -2.498 1.00 0.00 C ATOM 945 CG PRO B 7 17.282 -7.602 -1.411 1.00 0.00 C ATOM 946 CD PRO B 7 18.042 -6.394 -0.867 1.00 0.00 C ATOM 0 HA PRO B 7 15.776 -4.907 -2.652 1.00 0.00 H new ATOM 0 HB2 PRO B 7 15.541 -7.594 -2.723 1.00 0.00 H new ATOM 0 HB3 PRO B 7 16.960 -6.849 -3.431 1.00 0.00 H new ATOM 0 HG2 PRO B 7 16.683 -8.087 -0.640 1.00 0.00 H new ATOM 0 HG3 PRO B 7 17.956 -8.358 -1.814 1.00 0.00 H new ATOM 0 HD2 PRO B 7 18.273 -6.524 0.190 1.00 0.00 H new ATOM 0 HD3 PRO B 7 18.991 -6.266 -1.387 1.00 0.00 H new ATOM 954 N GLN B 8 14.385 -4.548 -0.433 1.00 0.00 N ATOM 955 CA GLN B 8 13.147 -4.301 0.282 1.00 0.00 C ATOM 956 C GLN B 8 12.505 -3.018 -0.251 1.00 0.00 C ATOM 957 O GLN B 8 11.335 -3.049 -0.605 1.00 0.00 O ATOM 958 CB GLN B 8 13.385 -4.242 1.804 1.00 0.00 C ATOM 959 CG GLN B 8 13.348 -5.614 2.506 1.00 0.00 C ATOM 960 CD GLN B 8 14.480 -6.572 2.123 1.00 0.00 C ATOM 961 OE1 GLN B 8 15.630 -6.173 1.965 1.00 0.00 O ATOM 962 NE2 GLN B 8 14.193 -7.862 1.990 1.00 0.00 N ATOM 0 H GLN B 8 15.000 -3.735 -0.434 1.00 0.00 H new ATOM 0 HA GLN B 8 12.458 -5.128 0.111 1.00 0.00 H new ATOM 0 HB2 GLN B 8 14.353 -3.778 1.991 1.00 0.00 H new ATOM 0 HB3 GLN B 8 12.630 -3.597 2.253 1.00 0.00 H new ATOM 0 HG2 GLN B 8 13.378 -5.454 3.584 1.00 0.00 H new ATOM 0 HG3 GLN B 8 12.395 -6.094 2.281 1.00 0.00 H new ATOM 0 HE21 GLN B 8 13.236 -8.188 2.123 1.00 0.00 H new ATOM 0 HE22 GLN B 8 14.930 -8.527 1.755 1.00 0.00 H new ATOM 971 N ARG B 9 13.229 -1.891 -0.312 1.00 0.00 N ATOM 972 CA ARG B 9 12.713 -0.592 -0.767 1.00 0.00 C ATOM 973 C ARG B 9 12.197 -0.686 -2.212 1.00 0.00 C ATOM 974 O ARG B 9 12.984 -0.496 -3.141 1.00 0.00 O ATOM 975 CB ARG B 9 13.831 0.457 -0.605 1.00 0.00 C ATOM 976 CG ARG B 9 13.449 1.883 -1.041 1.00 0.00 C ATOM 977 CD ARG B 9 14.174 2.403 -2.299 1.00 0.00 C ATOM 978 NE ARG B 9 15.529 2.924 -2.026 1.00 0.00 N ATOM 979 CZ ARG B 9 16.697 2.271 -1.947 1.00 0.00 C ATOM 980 NH1 ARG B 9 16.804 0.967 -2.194 1.00 0.00 N ATOM 981 NH2 ARG B 9 17.772 2.967 -1.601 1.00 0.00 N ATOM 0 H ARG B 9 14.212 -1.857 -0.040 1.00 0.00 H new ATOM 0 HA ARG B 9 11.859 -0.287 -0.161 1.00 0.00 H new ATOM 0 HB2 ARG B 9 14.137 0.482 0.441 1.00 0.00 H new ATOM 0 HB3 ARG B 9 14.697 0.136 -1.183 1.00 0.00 H new ATOM 0 HG2 ARG B 9 12.375 1.915 -1.222 1.00 0.00 H new ATOM 0 HG3 ARG B 9 13.654 2.565 -0.216 1.00 0.00 H new ATOM 0 HD2 ARG B 9 14.244 1.596 -3.028 1.00 0.00 H new ATOM 0 HD3 ARG B 9 13.575 3.192 -2.754 1.00 0.00 H new ATOM 0 HE ARG B 9 15.584 3.931 -1.875 1.00 0.00 H new ATOM 0 HH11 ARG B 9 15.978 0.428 -2.454 1.00 0.00 H new ATOM 0 HH12 ARG B 9 17.712 0.507 -2.123 1.00 0.00 H new ATOM 0 HH21 ARG B 9 17.692 3.965 -1.405 1.00 0.00 H new ATOM 0 HH22 ARG B 9 18.678 2.504 -1.530 1.00 0.00 H new ATOM 995 N HIS B 10 10.904 -0.972 -2.422 1.00 0.00 N ATOM 996 CA HIS B 10 10.352 -1.326 -3.726 1.00 0.00 C ATOM 997 C HIS B 10 9.158 -0.439 -4.082 1.00 0.00 C ATOM 998 O HIS B 10 8.635 0.283 -3.236 1.00 0.00 O ATOM 999 CB HIS B 10 9.960 -2.810 -3.728 1.00 0.00 C ATOM 1000 CG HIS B 10 11.101 -3.794 -3.593 1.00 0.00 C ATOM 1001 ND1 HIS B 10 11.019 -5.073 -3.096 1.00 0.00 N ATOM 1002 CD2 HIS B 10 12.407 -3.581 -3.926 1.00 0.00 C ATOM 1003 CE1 HIS B 10 12.242 -5.621 -3.182 1.00 0.00 C ATOM 1004 NE2 HIS B 10 13.127 -4.749 -3.685 1.00 0.00 N ATOM 0 H HIS B 10 10.207 -0.962 -1.677 1.00 0.00 H new ATOM 0 HA HIS B 10 11.113 -1.159 -4.488 1.00 0.00 H new ATOM 0 HB2 HIS B 10 9.259 -2.982 -2.911 1.00 0.00 H new ATOM 0 HB3 HIS B 10 9.428 -3.024 -4.655 1.00 0.00 H new ATOM 0 HD1 HIS B 10 10.181 -5.524 -2.729 1.00 0.00 H new ATOM 0 HD2 HIS B 10 12.815 -2.659 -4.313 1.00 0.00 H new ATOM 0 HE1 HIS B 10 12.481 -6.631 -2.885 1.00 0.00 H new ATOM 1012 N LYS B 11 8.741 -0.485 -5.356 1.00 0.00 N ATOM 1013 CA LYS B 11 7.762 0.419 -5.948 1.00 0.00 C ATOM 1014 C LYS B 11 6.818 -0.374 -6.841 1.00 0.00 C ATOM 1015 O LYS B 11 7.204 -0.791 -7.932 1.00 0.00 O ATOM 1016 CB LYS B 11 8.448 1.546 -6.742 1.00 0.00 C ATOM 1017 CG LYS B 11 9.135 2.591 -5.846 1.00 0.00 C ATOM 1018 CD LYS B 11 10.657 2.441 -5.703 1.00 0.00 C ATOM 1019 CE LYS B 11 11.433 2.810 -6.978 1.00 0.00 C ATOM 1020 NZ LYS B 11 11.282 4.235 -7.352 1.00 0.00 N ATOM 0 H LYS B 11 9.091 -1.177 -6.018 1.00 0.00 H new ATOM 0 HA LYS B 11 7.191 0.889 -5.148 1.00 0.00 H new ATOM 0 HB2 LYS B 11 9.188 1.110 -7.413 1.00 0.00 H new ATOM 0 HB3 LYS B 11 7.707 2.044 -7.366 1.00 0.00 H new ATOM 0 HG2 LYS B 11 8.921 3.583 -6.244 1.00 0.00 H new ATOM 0 HG3 LYS B 11 8.688 2.543 -4.853 1.00 0.00 H new ATOM 0 HD2 LYS B 11 11.001 3.072 -4.883 1.00 0.00 H new ATOM 0 HD3 LYS B 11 10.889 1.411 -5.432 1.00 0.00 H new ATOM 0 HE2 LYS B 11 12.490 2.588 -6.831 1.00 0.00 H new ATOM 0 HE3 LYS B 11 11.088 2.185 -7.801 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 12.147 4.563 -7.827 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 10.472 4.341 -7.996 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 11.120 4.803 -6.496 1.00 0.00 H new ATOM 1034 N ILE B 12 5.588 -0.590 -6.376 1.00 0.00 N ATOM 1035 CA ILE B 12 4.508 -1.151 -7.172 1.00 0.00 C ATOM 1036 C ILE B 12 3.806 0.034 -7.833 1.00 0.00 C ATOM 1037 O ILE B 12 2.971 0.693 -7.225 1.00 0.00 O ATOM 1038 CB ILE B 12 3.545 -1.994 -6.306 1.00 0.00 C ATOM 1039 CG1 ILE B 12 4.291 -3.121 -5.565 1.00 0.00 C ATOM 1040 CG2 ILE B 12 2.420 -2.552 -7.203 1.00 0.00 C ATOM 1041 CD1 ILE B 12 3.408 -3.845 -4.546 1.00 0.00 C ATOM 0 H ILE B 12 5.314 -0.375 -5.417 1.00 0.00 H new ATOM 0 HA ILE B 12 4.888 -1.840 -7.927 1.00 0.00 H new ATOM 0 HB ILE B 12 3.105 -1.358 -5.538 1.00 0.00 H new ATOM 0 HG12 ILE B 12 4.666 -3.842 -6.292 1.00 0.00 H new ATOM 0 HG13 ILE B 12 5.159 -2.702 -5.055 1.00 0.00 H new ATOM 0 HG21 ILE B 12 1.736 -3.148 -6.600 1.00 0.00 H new ATOM 0 HG22 ILE B 12 1.875 -1.726 -7.660 1.00 0.00 H new ATOM 0 HG23 ILE B 12 2.853 -3.177 -7.984 1.00 0.00 H new ATOM 0 HD11 ILE B 12 3.986 -4.628 -4.055 1.00 0.00 H new ATOM 0 HD12 ILE B 12 3.054 -3.133 -3.800 1.00 0.00 H new ATOM 0 HD13 ILE B 12 2.554 -4.290 -5.056 1.00 0.00 H new ATOM 1053 N LEU B 13 4.144 0.342 -9.080 1.00 0.00 N ATOM 1054 CA LEU B 13 3.372 1.282 -9.863 1.00 0.00 C ATOM 1055 C LEU B 13 1.982 0.700 -10.079 1.00 0.00 C ATOM 1056 O LEU B 13 1.826 -0.323 -10.742 1.00 0.00 O ATOM 1057 CB LEU B 13 4.075 1.644 -11.172 1.00 0.00 C ATOM 1058 CG LEU B 13 3.380 2.848 -11.848 1.00 0.00 C ATOM 1059 CD1 LEU B 13 4.438 3.676 -12.573 1.00 0.00 C ATOM 1060 CD2 LEU B 13 2.286 2.450 -12.849 1.00 0.00 C ATOM 0 H LEU B 13 4.951 -0.050 -9.566 1.00 0.00 H new ATOM 0 HA LEU B 13 3.277 2.224 -9.322 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.120 1.884 -10.976 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.066 0.787 -11.845 1.00 0.00 H new ATOM 0 HG LEU B 13 2.888 3.416 -11.058 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.964 4.530 -13.056 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.178 4.030 -11.855 1.00 0.00 H new ATOM 0 HD13 LEU B 13 4.929 3.060 -13.326 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.845 3.348 -13.282 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.722 1.842 -13.641 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.514 1.878 -12.335 1.00 0.00 H new ATOM 1072 N CYS B 14 0.988 1.371 -9.509 1.00 0.00 N ATOM 1073 CA CYS B 14 -0.418 1.115 -9.740 1.00 0.00 C ATOM 1074 C CYS B 14 -1.087 2.400 -10.241 1.00 0.00 C ATOM 1075 O CYS B 14 -0.429 3.402 -10.545 1.00 0.00 O ATOM 1076 CB CYS B 14 -1.043 0.596 -8.437 1.00 0.00 C ATOM 1077 SG CYS B 14 -2.481 -0.456 -8.791 1.00 0.00 S ATOM 0 H CYS B 14 1.151 2.134 -8.851 1.00 0.00 H new ATOM 0 HA CYS B 14 -0.562 0.353 -10.506 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -0.302 0.030 -7.872 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -1.346 1.437 -7.813 1.00 0.00 H new ATOM 0 HG CYS B 14 -2.601 -1.355 -7.860 1.00 0.00 H new ATOM 1083 N VAL B 15 -2.416 2.373 -10.288 1.00 0.00 N ATOM 1084 CA VAL B 15 -3.240 3.559 -10.405 1.00 0.00 C ATOM 1085 C VAL B 15 -4.123 3.654 -9.164 1.00 0.00 C ATOM 1086 O VAL B 15 -4.304 2.668 -8.443 1.00 0.00 O ATOM 1087 CB VAL B 15 -4.056 3.556 -11.713 1.00 0.00 C ATOM 1088 CG1 VAL B 15 -3.134 3.745 -12.924 1.00 0.00 C ATOM 1089 CG2 VAL B 15 -4.903 2.285 -11.880 1.00 0.00 C ATOM 0 H VAL B 15 -2.954 1.508 -10.245 1.00 0.00 H new ATOM 0 HA VAL B 15 -2.609 4.446 -10.458 1.00 0.00 H new ATOM 0 HB VAL B 15 -4.749 4.396 -11.653 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -3.728 3.740 -13.838 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -2.610 4.697 -12.837 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -2.408 2.933 -12.959 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -5.456 2.337 -12.818 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -4.251 1.412 -11.892 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -5.604 2.203 -11.049 1.00 0.00 H new ATOM 1099 N CYS B 16 -4.680 4.840 -8.914 1.00 0.00 N ATOM 1100 CA CYS B 16 -5.681 4.995 -7.884 1.00 0.00 C ATOM 1101 C CYS B 16 -6.931 4.222 -8.296 1.00 0.00 C ATOM 1102 O CYS B 16 -7.481 4.467 -9.369 1.00 0.00 O ATOM 1103 CB CYS B 16 -6.028 6.459 -7.608 1.00 0.00 C ATOM 1104 SG CYS B 16 -7.032 6.365 -6.107 1.00 0.00 S ATOM 0 H CYS B 16 -4.449 5.698 -9.414 1.00 0.00 H new ATOM 0 HA CYS B 16 -5.272 4.597 -6.955 1.00 0.00 H new ATOM 0 HB2 CYS B 16 -5.134 7.064 -7.458 1.00 0.00 H new ATOM 0 HB3 CYS B 16 -6.580 6.906 -8.435 1.00 0.00 H new ATOM 0 HG CYS B 16 -7.634 7.501 -5.916 1.00 0.00 H new ATOM 1109 N CYS B 17 -7.407 3.366 -7.394 1.00 0.00 N ATOM 1110 CA CYS B 17 -8.587 2.521 -7.535 1.00 0.00 C ATOM 1111 C CYS B 17 -9.804 3.300 -8.050 1.00 0.00 C ATOM 1112 O CYS B 17 -10.583 2.769 -8.839 1.00 0.00 O ATOM 1113 CB CYS B 17 -8.876 1.897 -6.162 1.00 0.00 C ATOM 1114 SG CYS B 17 -10.201 0.670 -6.290 1.00 0.00 S ATOM 0 H CYS B 17 -6.950 3.237 -6.491 1.00 0.00 H new ATOM 0 HA CYS B 17 -8.391 1.748 -8.278 1.00 0.00 H new ATOM 0 HB2 CYS B 17 -7.973 1.427 -5.772 1.00 0.00 H new ATOM 0 HB3 CYS B 17 -9.161 2.676 -5.455 1.00 0.00 H new ATOM 0 HG CYS B 17 -11.230 1.069 -5.603 1.00 0.00 H new ATOM 1120 N LYS B 18 -9.963 4.560 -7.621 1.00 0.00 N ATOM 1121 CA LYS B 18 -11.141 5.366 -7.899 1.00 0.00 C ATOM 1122 C LYS B 18 -10.855 6.651 -8.682 1.00 0.00 C ATOM 1123 O LYS B 18 -11.802 7.288 -9.134 1.00 0.00 O ATOM 1124 CB LYS B 18 -11.882 5.619 -6.584 1.00 0.00 C ATOM 1125 CG LYS B 18 -11.044 6.273 -5.465 1.00 0.00 C ATOM 1126 CD LYS B 18 -11.935 6.827 -4.340 1.00 0.00 C ATOM 1127 CE LYS B 18 -12.365 5.821 -3.262 1.00 0.00 C ATOM 1128 NZ LYS B 18 -13.170 4.691 -3.771 1.00 0.00 N ATOM 0 H LYS B 18 -9.261 5.047 -7.063 1.00 0.00 H new ATOM 0 HA LYS B 18 -11.784 4.802 -8.575 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.743 6.256 -6.789 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -12.269 4.669 -6.216 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -10.351 5.540 -5.053 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -10.443 7.080 -5.884 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -11.404 7.645 -3.854 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -12.832 7.252 -4.790 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -11.474 5.426 -2.774 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -12.940 6.347 -2.499 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -13.462 4.087 -2.976 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -14.014 5.057 -4.256 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -12.601 4.133 -4.439 1.00 0.00 H new ATOM 1142 N CYS B 19 -9.584 7.020 -8.879 1.00 0.00 N ATOM 1143 CA CYS B 19 -9.189 8.196 -9.638 1.00 0.00 C ATOM 1144 C CYS B 19 -8.444 7.852 -10.932 1.00 0.00 C ATOM 1145 O CYS B 19 -8.205 8.758 -11.725 1.00 0.00 O ATOM 1146 CB CYS B 19 -8.336 9.118 -8.784 1.00 0.00 C ATOM 1147 SG CYS B 19 -8.598 9.140 -6.992 1.00 0.00 S ATOM 0 H CYS B 19 -8.793 6.496 -8.506 1.00 0.00 H new ATOM 0 HA CYS B 19 -10.111 8.702 -9.923 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -7.292 8.860 -8.962 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -8.480 10.134 -9.151 1.00 0.00 H new ATOM 1152 N ASP B 20 -8.036 6.587 -11.121 1.00 0.00 N ATOM 1153 CA ASP B 20 -7.211 6.100 -12.233 1.00 0.00 C ATOM 1154 C ASP B 20 -5.895 6.885 -12.405 1.00 0.00 C ATOM 1155 O ASP B 20 -5.279 6.883 -13.469 1.00 0.00 O ATOM 1156 CB ASP B 20 -8.063 6.006 -13.508 1.00 0.00 C ATOM 1157 CG ASP B 20 -7.393 5.185 -14.616 1.00 0.00 C ATOM 1158 OD1 ASP B 20 -6.815 4.126 -14.278 1.00 0.00 O ATOM 1159 OD2 ASP B 20 -7.523 5.590 -15.793 1.00 0.00 O ATOM 0 H ASP B 20 -8.285 5.842 -10.470 1.00 0.00 H new ATOM 0 HA ASP B 20 -6.871 5.092 -11.995 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -9.026 5.558 -13.263 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -8.264 7.011 -13.879 1.00 0.00 H new ATOM 1164 N GLY B 21 -5.434 7.565 -11.346 1.00 0.00 N ATOM 1165 CA GLY B 21 -4.220 8.380 -11.414 1.00 0.00 C ATOM 1166 C GLY B 21 -3.009 7.534 -11.068 1.00 0.00 C ATOM 1167 O GLY B 21 -3.106 6.652 -10.226 1.00 0.00 O ATOM 0 H GLY B 21 -5.887 7.565 -10.432 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -4.108 8.798 -12.414 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -4.297 9.220 -10.724 1.00 0.00 H new ATOM 1171 N ARG B 22 -1.865 7.826 -11.683 1.00 0.00 N ATOM 1172 CA ARG B 22 -0.619 7.064 -11.562 1.00 0.00 C ATOM 1173 C ARG B 22 -0.108 7.158 -10.129 1.00 0.00 C ATOM 1174 O ARG B 22 0.172 8.268 -9.674 1.00 0.00 O ATOM 1175 CB ARG B 22 0.386 7.632 -12.585 1.00 0.00 C ATOM 1176 CG ARG B 22 1.763 6.945 -12.653 1.00 0.00 C ATOM 1177 CD ARG B 22 2.824 7.515 -11.691 1.00 0.00 C ATOM 1178 NE ARG B 22 4.178 7.105 -12.108 1.00 0.00 N ATOM 1179 CZ ARG B 22 5.300 7.160 -11.376 1.00 0.00 C ATOM 1180 NH1 ARG B 22 5.368 7.818 -10.223 1.00 0.00 N ATOM 1181 NH2 ARG B 22 6.396 6.516 -11.764 1.00 0.00 N ATOM 0 H ARG B 22 -1.775 8.630 -12.304 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.771 6.007 -11.778 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.069 7.581 -13.574 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.542 8.687 -12.360 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.634 5.884 -12.440 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.140 7.022 -13.673 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.758 8.603 -11.671 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.629 7.165 -10.677 1.00 0.00 H new ATOM 0 HE ARG B 22 4.271 6.740 -13.056 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.547 8.306 -9.865 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.241 7.835 -9.696 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.390 5.972 -12.627 1.00 0.00 H new ATOM 0 HH22 ARG B 22 7.244 6.565 -11.199 1.00 0.00 H new ATOM 1195 N ILE B 23 0.065 6.023 -9.438 1.00 0.00 N ATOM 1196 CA ILE B 23 0.667 6.007 -8.110 1.00 0.00 C ATOM 1197 C ILE B 23 1.820 5.005 -8.103 1.00 0.00 C ATOM 1198 O ILE B 23 1.638 3.834 -8.422 1.00 0.00 O ATOM 1199 CB ILE B 23 -0.329 5.667 -6.976 1.00 0.00 C ATOM 1200 CG1 ILE B 23 -1.734 6.294 -7.078 1.00 0.00 C ATOM 1201 CG2 ILE B 23 0.351 6.141 -5.675 1.00 0.00 C ATOM 1202 CD1 ILE B 23 -2.693 5.772 -5.995 1.00 0.00 C ATOM 0 H ILE B 23 -0.207 5.103 -9.784 1.00 0.00 H new ATOM 0 HA ILE B 23 1.020 7.018 -7.907 1.00 0.00 H new ATOM 0 HB ILE B 23 -0.528 4.596 -7.027 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -1.652 7.378 -6.994 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -2.152 6.082 -8.062 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -0.300 5.931 -4.827 1.00 0.00 H new ATOM 0 HG22 ILE B 23 1.296 5.614 -5.546 1.00 0.00 H new ATOM 0 HG23 ILE B 23 0.538 7.213 -5.732 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -3.668 6.246 -6.113 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -2.800 4.692 -6.094 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -2.292 6.008 -5.009 1.00 0.00 H new ATOM 1214 N GLU B 24 3.006 5.450 -7.695 1.00 0.00 N ATOM 1215 CA GLU B 24 4.180 4.607 -7.531 1.00 0.00 C ATOM 1216 C GLU B 24 4.253 4.140 -6.076 1.00 0.00 C ATOM 1217 O GLU B 24 4.855 4.789 -5.214 1.00 0.00 O ATOM 1218 CB GLU B 24 5.373 5.399 -8.046 1.00 0.00 C ATOM 1219 CG GLU B 24 6.695 4.641 -7.998 1.00 0.00 C ATOM 1220 CD GLU B 24 7.844 5.425 -8.653 1.00 0.00 C ATOM 1221 OE1 GLU B 24 7.569 6.410 -9.388 1.00 0.00 O ATOM 1222 OE2 GLU B 24 9.004 5.006 -8.439 1.00 0.00 O ATOM 0 H GLU B 24 3.178 6.429 -7.465 1.00 0.00 H new ATOM 0 HA GLU B 24 4.151 3.685 -8.111 1.00 0.00 H new ATOM 0 HB2 GLU B 24 5.177 5.701 -9.075 1.00 0.00 H new ATOM 0 HB3 GLU B 24 5.469 6.312 -7.459 1.00 0.00 H new ATOM 0 HG2 GLU B 24 6.950 4.427 -6.960 1.00 0.00 H new ATOM 0 HG3 GLU B 24 6.579 3.682 -8.503 1.00 0.00 H new ATOM 1229 N LEU B 25 3.548 3.037 -5.797 1.00 0.00 N ATOM 1230 CA LEU B 25 3.268 2.572 -4.449 1.00 0.00 C ATOM 1231 C LEU B 25 4.545 2.041 -3.834 1.00 0.00 C ATOM 1232 O LEU B 25 4.960 0.913 -4.112 1.00 0.00 O ATOM 1233 CB LEU B 25 2.187 1.489 -4.405 1.00 0.00 C ATOM 1234 CG LEU B 25 0.900 1.843 -5.157 1.00 0.00 C ATOM 1235 CD1 LEU B 25 -0.028 0.636 -5.133 1.00 0.00 C ATOM 1236 CD2 LEU B 25 0.209 3.012 -4.457 1.00 0.00 C ATOM 0 H LEU B 25 3.152 2.437 -6.521 1.00 0.00 H new ATOM 0 HA LEU B 25 2.888 3.422 -3.882 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.595 0.569 -4.823 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.939 1.283 -3.364 1.00 0.00 H new ATOM 0 HG LEU B 25 1.136 2.118 -6.185 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.949 0.874 -5.665 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.462 -0.209 -5.616 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.262 0.378 -4.100 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -0.707 3.266 -4.991 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.034 2.730 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU B 25 0.874 3.875 -4.448 1.00 0.00 H new ATOM 1248 N THR B 26 5.193 2.875 -3.034 1.00 0.00 N ATOM 1249 CA THR B 26 6.468 2.527 -2.464 1.00 0.00 C ATOM 1250 C THR B 26 6.176 1.746 -1.173 1.00 0.00 C ATOM 1251 O THR B 26 5.590 2.273 -0.224 1.00 0.00 O ATOM 1252 CB THR B 26 7.343 3.784 -2.372 1.00 0.00 C ATOM 1253 OG1 THR B 26 7.361 4.444 -3.632 1.00 0.00 O ATOM 1254 CG2 THR B 26 8.793 3.436 -2.010 1.00 0.00 C ATOM 0 H THR B 26 4.848 3.798 -2.770 1.00 0.00 H new ATOM 0 HA THR B 26 7.078 1.860 -3.072 1.00 0.00 H new ATOM 0 HB THR B 26 6.919 4.421 -1.595 1.00 0.00 H new ATOM 0 HG1 THR B 26 8.214 4.913 -3.743 1.00 0.00 H new ATOM 0 HG21 THR B 26 9.383 4.350 -1.954 1.00 0.00 H new ATOM 0 HG22 THR B 26 8.816 2.929 -1.045 1.00 0.00 H new ATOM 0 HG23 THR B 26 9.211 2.780 -2.774 1.00 0.00 H new ATOM 1262 N VAL B 27 6.510 0.453 -1.187 1.00 0.00 N ATOM 1263 CA VAL B 27 6.363 -0.483 -0.073 1.00 0.00 C ATOM 1264 C VAL B 27 7.791 -1.007 0.139 1.00 0.00 C ATOM 1265 O VAL B 27 8.414 -1.496 -0.809 1.00 0.00 O ATOM 1266 CB VAL B 27 5.241 -1.549 -0.341 1.00 0.00 C ATOM 1267 CG1 VAL B 27 3.975 -0.886 -0.907 1.00 0.00 C ATOM 1268 CG2 VAL B 27 5.665 -2.657 -1.320 1.00 0.00 C ATOM 0 H VAL B 27 6.909 0.011 -2.015 1.00 0.00 H new ATOM 0 HA VAL B 27 5.995 -0.040 0.853 1.00 0.00 H new ATOM 0 HB VAL B 27 5.047 -2.003 0.631 1.00 0.00 H new ATOM 0 HG11 VAL B 27 3.214 -1.646 -1.084 1.00 0.00 H new ATOM 0 HG12 VAL B 27 3.598 -0.154 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL B 27 4.214 -0.387 -1.846 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.840 -3.357 -1.457 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.928 -2.213 -2.280 1.00 0.00 H new ATOM 0 HG23 VAL B 27 6.528 -3.188 -0.917 1.00 0.00 H new ATOM 1278 N GLU B 28 8.374 -0.812 1.327 1.00 0.00 N ATOM 1279 CA GLU B 28 9.666 -1.428 1.622 1.00 0.00 C ATOM 1280 C GLU B 28 9.319 -2.846 2.083 1.00 0.00 C ATOM 1281 O GLU B 28 8.841 -3.022 3.203 1.00 0.00 O ATOM 1282 CB GLU B 28 10.572 -0.625 2.591 1.00 0.00 C ATOM 1283 CG GLU B 28 10.563 0.873 2.385 1.00 0.00 C ATOM 1284 CD GLU B 28 11.783 1.634 2.907 1.00 0.00 C ATOM 1285 OE1 GLU B 28 12.733 1.848 2.118 1.00 0.00 O ATOM 1286 OE2 GLU B 28 11.737 2.175 4.038 1.00 0.00 O ATOM 0 H GLU B 28 7.982 -0.247 2.080 1.00 0.00 H new ATOM 0 HA GLU B 28 10.307 -1.444 0.740 1.00 0.00 H new ATOM 0 HB2 GLU B 28 10.261 -0.837 3.614 1.00 0.00 H new ATOM 0 HB3 GLU B 28 11.596 -0.984 2.488 1.00 0.00 H new ATOM 0 HG2 GLU B 28 10.466 1.071 1.318 1.00 0.00 H new ATOM 0 HG3 GLU B 28 9.674 1.280 2.867 1.00 0.00 H new ATOM 1293 N SER B 29 9.439 -3.836 1.188 1.00 0.00 N ATOM 1294 CA SER B 29 9.250 -5.241 1.527 1.00 0.00 C ATOM 1295 C SER B 29 9.964 -6.114 0.511 1.00 0.00 C ATOM 1296 O SER B 29 10.141 -5.718 -0.639 1.00 0.00 O ATOM 1297 CB SER B 29 7.773 -5.640 1.517 1.00 0.00 C ATOM 1298 OG SER B 29 7.617 -6.722 2.415 1.00 0.00 O ATOM 0 H SER B 29 9.671 -3.678 0.207 1.00 0.00 H new ATOM 0 HA SER B 29 9.653 -5.382 2.530 1.00 0.00 H new ATOM 0 HB2 SER B 29 7.147 -4.800 1.817 1.00 0.00 H new ATOM 0 HB3 SER B 29 7.461 -5.927 0.513 1.00 0.00 H new ATOM 0 HG SER B 29 6.709 -7.083 2.338 1.00 0.00 H new ATOM 1304 N SER B 30 10.316 -7.327 0.924 1.00 0.00 N ATOM 1305 CA SER B 30 11.040 -8.290 0.106 1.00 0.00 C ATOM 1306 C SER B 30 10.282 -8.547 -1.202 1.00 0.00 C ATOM 1307 O SER B 30 9.050 -8.515 -1.226 1.00 0.00 O ATOM 1308 CB SER B 30 11.222 -9.575 0.919 1.00 0.00 C ATOM 1309 OG SER B 30 11.613 -9.246 2.248 1.00 0.00 O ATOM 0 H SER B 30 10.100 -7.675 1.858 1.00 0.00 H new ATOM 0 HA SER B 30 12.022 -7.901 -0.164 1.00 0.00 H new ATOM 0 HB2 SER B 30 10.292 -10.144 0.933 1.00 0.00 H new ATOM 0 HB3 SER B 30 11.977 -10.209 0.453 1.00 0.00 H new ATOM 0 HG SER B 30 10.817 -9.048 2.784 1.00 0.00 H new ATOM 1315 N ALA B 31 10.999 -8.812 -2.300 1.00 0.00 N ATOM 1316 CA ALA B 31 10.402 -8.828 -3.636 1.00 0.00 C ATOM 1317 C ALA B 31 9.181 -9.743 -3.729 1.00 0.00 C ATOM 1318 O ALA B 31 8.183 -9.373 -4.342 1.00 0.00 O ATOM 1319 CB ALA B 31 11.444 -9.251 -4.675 1.00 0.00 C ATOM 0 H ALA B 31 11.998 -9.019 -2.287 1.00 0.00 H new ATOM 0 HA ALA B 31 10.062 -7.813 -3.840 1.00 0.00 H new ATOM 0 HB1 ALA B 31 10.988 -9.259 -5.665 1.00 0.00 H new ATOM 0 HB2 ALA B 31 12.275 -8.546 -4.664 1.00 0.00 H new ATOM 0 HB3 ALA B 31 11.811 -10.249 -4.436 1.00 0.00 H new ATOM 1325 N GLU B 32 9.225 -10.924 -3.105 1.00 0.00 N ATOM 1326 CA GLU B 32 8.151 -11.889 -3.273 1.00 0.00 C ATOM 1327 C GLU B 32 7.055 -11.784 -2.216 1.00 0.00 C ATOM 1328 O GLU B 32 5.932 -12.252 -2.419 1.00 0.00 O ATOM 1329 CB GLU B 32 8.722 -13.294 -3.425 1.00 0.00 C ATOM 1330 CG GLU B 32 7.986 -13.974 -4.591 1.00 0.00 C ATOM 1331 CD GLU B 32 8.612 -15.249 -5.149 1.00 0.00 C ATOM 1332 OE1 GLU B 32 9.254 -16.000 -4.386 1.00 0.00 O ATOM 1333 OE2 GLU B 32 8.409 -15.446 -6.372 1.00 0.00 O ATOM 0 H GLU B 32 9.981 -11.225 -2.491 1.00 0.00 H new ATOM 0 HA GLU B 32 7.634 -11.642 -4.200 1.00 0.00 H new ATOM 0 HB2 GLU B 32 9.793 -13.252 -3.621 1.00 0.00 H new ATOM 0 HB3 GLU B 32 8.589 -13.863 -2.505 1.00 0.00 H new ATOM 0 HG2 GLU B 32 6.973 -14.208 -4.263 1.00 0.00 H new ATOM 0 HG3 GLU B 32 7.899 -13.254 -5.405 1.00 0.00 H new ATOM 1340 N ASP B 33 7.345 -11.072 -1.131 1.00 0.00 N ATOM 1341 CA ASP B 33 6.346 -10.523 -0.243 1.00 0.00 C ATOM 1342 C ASP B 33 5.525 -9.493 -1.040 1.00 0.00 C ATOM 1343 O ASP B 33 4.301 -9.591 -1.109 1.00 0.00 O ATOM 1344 CB ASP B 33 7.083 -9.972 0.983 1.00 0.00 C ATOM 1345 CG ASP B 33 6.171 -9.394 2.046 1.00 0.00 C ATOM 1346 OD1 ASP B 33 5.827 -8.196 1.900 1.00 0.00 O ATOM 1347 OD2 ASP B 33 5.948 -10.116 3.047 1.00 0.00 O ATOM 0 H ASP B 33 8.301 -10.861 -0.846 1.00 0.00 H new ATOM 0 HA ASP B 33 5.627 -11.252 0.131 1.00 0.00 H new ATOM 0 HB2 ASP B 33 7.678 -10.771 1.425 1.00 0.00 H new ATOM 0 HB3 ASP B 33 7.779 -9.199 0.658 1.00 0.00 H new ATOM 1352 N LEU B 34 6.209 -8.620 -1.797 1.00 0.00 N ATOM 1353 CA LEU B 34 5.618 -7.641 -2.720 1.00 0.00 C ATOM 1354 C LEU B 34 4.793 -8.317 -3.819 1.00 0.00 C ATOM 1355 O LEU B 34 3.740 -7.839 -4.217 1.00 0.00 O ATOM 1356 CB LEU B 34 6.714 -6.694 -3.264 1.00 0.00 C ATOM 1357 CG LEU B 34 6.498 -6.074 -4.672 1.00 0.00 C ATOM 1358 CD1 LEU B 34 7.227 -4.731 -4.733 1.00 0.00 C ATOM 1359 CD2 LEU B 34 7.063 -6.907 -5.833 1.00 0.00 C ATOM 0 H LEU B 34 7.228 -8.576 -1.781 1.00 0.00 H new ATOM 0 HA LEU B 34 4.906 -7.024 -2.171 1.00 0.00 H new ATOM 0 HB2 LEU B 34 6.835 -5.877 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU B 34 7.655 -7.244 -3.280 1.00 0.00 H new ATOM 0 HG LEU B 34 5.417 -6.005 -4.794 1.00 0.00 H new ATOM 0 HD11 LEU B 34 7.084 -4.284 -5.717 1.00 0.00 H new ATOM 0 HD12 LEU B 34 6.826 -4.064 -3.970 1.00 0.00 H new ATOM 0 HD13 LEU B 34 8.291 -4.886 -4.556 1.00 0.00 H new ATOM 0 HD21 LEU B 34 6.866 -6.397 -6.776 1.00 0.00 H new ATOM 0 HD22 LEU B 34 8.138 -7.029 -5.704 1.00 0.00 H new ATOM 0 HD23 LEU B 34 6.586 -7.887 -5.844 1.00 0.00 H new ATOM 1371 N ARG B 35 5.290 -9.444 -4.301 1.00 0.00 N ATOM 1372 CA ARG B 35 4.726 -10.286 -5.358 1.00 0.00 C ATOM 1373 C ARG B 35 3.482 -10.982 -4.848 1.00 0.00 C ATOM 1374 O ARG B 35 2.482 -11.022 -5.552 1.00 0.00 O ATOM 1375 CB ARG B 35 5.717 -11.348 -5.850 1.00 0.00 C ATOM 1376 CG ARG B 35 5.299 -11.999 -7.177 1.00 0.00 C ATOM 1377 CD ARG B 35 6.244 -13.148 -7.551 1.00 0.00 C ATOM 1378 NE ARG B 35 5.920 -13.699 -8.874 1.00 0.00 N ATOM 1379 CZ ARG B 35 6.478 -14.780 -9.441 1.00 0.00 C ATOM 1380 NH1 ARG B 35 7.399 -15.517 -8.815 1.00 0.00 N ATOM 1381 NH2 ARG B 35 6.101 -15.128 -10.673 1.00 0.00 N ATOM 0 H ARG B 35 6.164 -9.828 -3.941 1.00 0.00 H new ATOM 0 HA ARG B 35 4.488 -9.631 -6.196 1.00 0.00 H new ATOM 0 HB2 ARG B 35 6.699 -10.891 -5.971 1.00 0.00 H new ATOM 0 HB3 ARG B 35 5.817 -12.122 -5.089 1.00 0.00 H new ATOM 0 HG2 ARG B 35 4.279 -12.375 -7.096 1.00 0.00 H new ATOM 0 HG3 ARG B 35 5.301 -11.250 -7.969 1.00 0.00 H new ATOM 0 HD2 ARG B 35 7.274 -12.791 -7.546 1.00 0.00 H new ATOM 0 HD3 ARG B 35 6.177 -13.936 -6.801 1.00 0.00 H new ATOM 0 HE ARG B 35 5.203 -13.214 -9.413 1.00 0.00 H new ATOM 0 HH11 ARG B 35 7.701 -15.265 -7.874 1.00 0.00 H new ATOM 0 HH12 ARG B 35 7.801 -16.332 -9.278 1.00 0.00 H new ATOM 0 HH21 ARG B 35 5.400 -14.576 -11.167 1.00 0.00 H new ATOM 0 HH22 ARG B 35 6.514 -15.946 -11.121 1.00 0.00 H new ATOM 1395 N THR B 36 3.523 -11.528 -3.639 1.00 0.00 N ATOM 1396 CA THR B 36 2.341 -12.099 -3.004 1.00 0.00 C ATOM 1397 C THR B 36 1.258 -11.012 -2.931 1.00 0.00 C ATOM 1398 O THR B 36 0.128 -11.213 -3.375 1.00 0.00 O ATOM 1399 CB THR B 36 2.722 -12.691 -1.636 1.00 0.00 C ATOM 1400 OG1 THR B 36 3.812 -13.584 -1.779 1.00 0.00 O ATOM 1401 CG2 THR B 36 1.555 -13.479 -1.031 1.00 0.00 C ATOM 0 H THR B 36 4.370 -11.588 -3.074 1.00 0.00 H new ATOM 0 HA THR B 36 1.932 -12.926 -3.584 1.00 0.00 H new ATOM 0 HB THR B 36 2.984 -11.858 -0.984 1.00 0.00 H new ATOM 0 HG1 THR B 36 4.653 -13.093 -1.673 1.00 0.00 H new ATOM 0 HG21 THR B 36 1.853 -13.886 -0.065 1.00 0.00 H new ATOM 0 HG22 THR B 36 0.699 -12.817 -0.898 1.00 0.00 H new ATOM 0 HG23 THR B 36 1.282 -14.295 -1.700 1.00 0.00 H new ATOM 1409 N LEU B 37 1.644 -9.815 -2.488 1.00 0.00 N ATOM 1410 CA LEU B 37 0.830 -8.608 -2.506 1.00 0.00 C ATOM 1411 C LEU B 37 0.361 -8.238 -3.932 1.00 0.00 C ATOM 1412 O LEU B 37 -0.794 -7.868 -4.119 1.00 0.00 O ATOM 1413 CB LEU B 37 1.629 -7.535 -1.736 1.00 0.00 C ATOM 1414 CG LEU B 37 1.604 -6.099 -2.255 1.00 0.00 C ATOM 1415 CD1 LEU B 37 0.221 -5.449 -2.034 1.00 0.00 C ATOM 1416 CD2 LEU B 37 2.612 -5.282 -1.445 1.00 0.00 C ATOM 0 H LEU B 37 2.571 -9.658 -2.092 1.00 0.00 H new ATOM 0 HA LEU B 37 -0.126 -8.738 -1.998 1.00 0.00 H new ATOM 0 HB2 LEU B 37 1.264 -7.523 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU B 37 2.670 -7.857 -1.701 1.00 0.00 H new ATOM 0 HG LEU B 37 1.836 -6.115 -3.320 1.00 0.00 H new ATOM 0 HD11 LEU B 37 0.234 -4.427 -2.414 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.540 -6.023 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -0.009 -5.437 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU B 37 2.612 -4.251 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU B 37 2.335 -5.305 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU B 37 3.608 -5.708 -1.568 1.00 0.00 H new ATOM 1428 N GLN B 38 1.183 -8.415 -4.968 1.00 0.00 N ATOM 1429 CA GLN B 38 0.794 -8.229 -6.366 1.00 0.00 C ATOM 1430 C GLN B 38 -0.304 -9.232 -6.747 1.00 0.00 C ATOM 1431 O GLN B 38 -1.221 -8.881 -7.489 1.00 0.00 O ATOM 1432 CB GLN B 38 2.046 -8.310 -7.246 1.00 0.00 C ATOM 1433 CG GLN B 38 1.849 -8.362 -8.764 1.00 0.00 C ATOM 1434 CD GLN B 38 3.140 -8.901 -9.373 1.00 0.00 C ATOM 1435 OE1 GLN B 38 3.242 -10.085 -9.688 1.00 0.00 O ATOM 1436 NE2 GLN B 38 4.171 -8.065 -9.436 1.00 0.00 N ATOM 0 H GLN B 38 2.157 -8.697 -4.856 1.00 0.00 H new ATOM 0 HA GLN B 38 0.359 -7.242 -6.524 1.00 0.00 H new ATOM 0 HB2 GLN B 38 2.672 -7.447 -7.019 1.00 0.00 H new ATOM 0 HB3 GLN B 38 2.607 -9.197 -6.950 1.00 0.00 H new ATOM 0 HG2 GLN B 38 1.006 -9.004 -9.020 1.00 0.00 H new ATOM 0 HG3 GLN B 38 1.624 -7.370 -9.156 1.00 0.00 H new ATOM 0 HE21 GLN B 38 4.053 -7.088 -9.167 1.00 0.00 H new ATOM 0 HE22 GLN B 38 5.081 -8.400 -9.753 1.00 0.00 H new ATOM 1445 N GLN B 39 -0.271 -10.455 -6.203 1.00 0.00 N ATOM 1446 CA GLN B 39 -1.353 -11.402 -6.409 1.00 0.00 C ATOM 1447 C GLN B 39 -2.605 -10.942 -5.651 1.00 0.00 C ATOM 1448 O GLN B 39 -3.711 -11.155 -6.136 1.00 0.00 O ATOM 1449 CB GLN B 39 -0.966 -12.842 -6.059 1.00 0.00 C ATOM 1450 CG GLN B 39 0.409 -13.295 -6.574 1.00 0.00 C ATOM 1451 CD GLN B 39 0.806 -12.803 -7.974 1.00 0.00 C ATOM 1452 OE1 GLN B 39 0.269 -13.246 -8.981 1.00 0.00 O ATOM 1453 NE2 GLN B 39 1.776 -11.896 -8.039 1.00 0.00 N ATOM 0 H GLN B 39 0.492 -10.802 -5.622 1.00 0.00 H new ATOM 0 HA GLN B 39 -1.577 -11.416 -7.476 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -0.984 -12.953 -4.975 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -1.725 -13.513 -6.461 1.00 0.00 H new ATOM 0 HG2 GLN B 39 1.167 -12.960 -5.866 1.00 0.00 H new ATOM 0 HG3 GLN B 39 0.432 -14.385 -6.575 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.205 -11.545 -7.182 1.00 0.00 H new ATOM 0 HE22 GLN B 39 2.091 -11.551 -8.945 1.00 0.00 H new ATOM 1462 N LEU B 40 -2.454 -10.253 -4.509 1.00 0.00 N ATOM 1463 CA LEU B 40 -3.569 -9.590 -3.827 1.00 0.00 C ATOM 1464 C LEU B 40 -4.154 -8.423 -4.653 1.00 0.00 C ATOM 1465 O LEU B 40 -5.366 -8.204 -4.603 1.00 0.00 O ATOM 1466 CB LEU B 40 -3.197 -9.167 -2.392 1.00 0.00 C ATOM 1467 CG LEU B 40 -2.723 -10.329 -1.491 1.00 0.00 C ATOM 1468 CD1 LEU B 40 -2.233 -9.789 -0.147 1.00 0.00 C ATOM 1469 CD2 LEU B 40 -3.806 -11.383 -1.230 1.00 0.00 C ATOM 0 H LEU B 40 -1.557 -10.142 -4.036 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.366 -10.328 -3.739 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -2.410 -8.415 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.063 -8.693 -1.929 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.914 -10.817 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.902 -10.618 0.479 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -1.402 -9.103 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.046 -9.261 0.351 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -3.403 -12.168 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.658 -10.915 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -4.128 -11.816 -2.177 1.00 0.00 H new ATOM 1481 N PHE B 41 -3.359 -7.722 -5.483 1.00 0.00 N ATOM 1482 CA PHE B 41 -3.917 -6.796 -6.488 1.00 0.00 C ATOM 1483 C PHE B 41 -4.739 -7.574 -7.512 1.00 0.00 C ATOM 1484 O PHE B 41 -5.875 -7.207 -7.799 1.00 0.00 O ATOM 1485 CB PHE B 41 -2.856 -5.939 -7.209 1.00 0.00 C ATOM 1486 CG PHE B 41 -2.291 -4.760 -6.436 1.00 0.00 C ATOM 1487 CD1 PHE B 41 -1.175 -4.939 -5.605 1.00 0.00 C ATOM 1488 CD2 PHE B 41 -2.816 -3.463 -6.608 1.00 0.00 C ATOM 1489 CE1 PHE B 41 -0.591 -3.854 -4.941 1.00 0.00 C ATOM 1490 CE2 PHE B 41 -2.255 -2.376 -5.912 1.00 0.00 C ATOM 1491 CZ PHE B 41 -1.155 -2.580 -5.063 1.00 0.00 C ATOM 0 H PHE B 41 -2.341 -7.777 -5.479 1.00 0.00 H new ATOM 0 HA PHE B 41 -4.550 -6.098 -5.939 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -2.028 -6.589 -7.491 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -3.294 -5.562 -8.133 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -0.761 -5.928 -5.476 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -3.650 -3.303 -7.275 1.00 0.00 H new ATOM 0 HE1 PHE B 41 0.292 -4.000 -4.337 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -2.670 -1.386 -6.031 1.00 0.00 H new ATOM 0 HZ PHE B 41 -0.744 -1.752 -4.504 1.00 0.00 H new ATOM 1501 N LEU B 42 -4.168 -8.653 -8.058 1.00 0.00 N ATOM 1502 CA LEU B 42 -4.837 -9.488 -9.055 1.00 0.00 C ATOM 1503 C LEU B 42 -6.103 -10.170 -8.500 1.00 0.00 C ATOM 1504 O LEU B 42 -7.022 -10.447 -9.266 1.00 0.00 O ATOM 1505 CB LEU B 42 -3.829 -10.511 -9.599 1.00 0.00 C ATOM 1506 CG LEU B 42 -2.744 -9.890 -10.507 1.00 0.00 C ATOM 1507 CD1 LEU B 42 -1.608 -10.894 -10.727 1.00 0.00 C ATOM 1508 CD2 LEU B 42 -3.302 -9.465 -11.874 1.00 0.00 C ATOM 0 H LEU B 42 -3.228 -8.970 -7.819 1.00 0.00 H new ATOM 0 HA LEU B 42 -5.183 -8.851 -9.869 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -3.345 -11.013 -8.761 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -4.367 -11.275 -10.161 1.00 0.00 H new ATOM 0 HG LEU B 42 -2.375 -8.999 -9.999 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -0.848 -10.448 -11.368 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -1.164 -11.157 -9.767 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -2.003 -11.792 -11.203 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -2.502 -9.034 -12.476 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -3.713 -10.335 -12.386 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -4.088 -8.723 -11.732 1.00 0.00 H new ATOM 1520 N SER B 43 -6.154 -10.411 -7.186 1.00 0.00 N ATOM 1521 CA SER B 43 -7.317 -10.795 -6.395 1.00 0.00 C ATOM 1522 C SER B 43 -8.348 -9.662 -6.410 1.00 0.00 C ATOM 1523 O SER B 43 -9.326 -9.755 -7.152 1.00 0.00 O ATOM 1524 CB SER B 43 -6.811 -11.164 -4.990 1.00 0.00 C ATOM 1525 OG SER B 43 -7.761 -11.161 -3.947 1.00 0.00 O ATOM 0 H SER B 43 -5.317 -10.336 -6.608 1.00 0.00 H new ATOM 0 HA SER B 43 -7.833 -11.663 -6.806 1.00 0.00 H new ATOM 0 HB2 SER B 43 -6.366 -12.158 -5.040 1.00 0.00 H new ATOM 0 HB3 SER B 43 -6.013 -10.470 -4.724 1.00 0.00 H new ATOM 0 HG SER B 43 -7.522 -10.475 -3.289 1.00 0.00 H new ATOM 1531 N THR B 44 -8.149 -8.605 -5.606 1.00 0.00 N ATOM 1532 CA THR B 44 -9.072 -7.478 -5.502 1.00 0.00 C ATOM 1533 C THR B 44 -8.431 -6.105 -5.320 1.00 0.00 C ATOM 1534 O THR B 44 -9.085 -5.095 -5.576 1.00 0.00 O ATOM 1535 CB THR B 44 -10.132 -7.697 -4.398 1.00 0.00 C ATOM 1536 OG1 THR B 44 -9.626 -8.008 -3.110 1.00 0.00 O ATOM 1537 CG2 THR B 44 -11.062 -8.848 -4.753 1.00 0.00 C ATOM 0 H THR B 44 -7.330 -8.514 -5.005 1.00 0.00 H new ATOM 0 HA THR B 44 -9.544 -7.460 -6.484 1.00 0.00 H new ATOM 0 HB THR B 44 -10.632 -6.730 -4.352 1.00 0.00 H new ATOM 0 HG1 THR B 44 -8.969 -7.331 -2.845 1.00 0.00 H new ATOM 0 HG21 THR B 44 -11.797 -8.980 -3.959 1.00 0.00 H new ATOM 0 HG22 THR B 44 -11.574 -8.626 -5.689 1.00 0.00 H new ATOM 0 HG23 THR B 44 -10.481 -9.764 -4.865 1.00 0.00 H new ATOM 1545 N LEU B 45 -7.199 -6.060 -4.820 1.00 0.00 N ATOM 1546 CA LEU B 45 -6.639 -4.847 -4.237 1.00 0.00 C ATOM 1547 C LEU B 45 -6.355 -3.760 -5.269 1.00 0.00 C ATOM 1548 O LEU B 45 -5.921 -4.018 -6.393 1.00 0.00 O ATOM 1549 CB LEU B 45 -5.379 -5.198 -3.421 1.00 0.00 C ATOM 1550 CG LEU B 45 -4.940 -4.104 -2.430 1.00 0.00 C ATOM 1551 CD1 LEU B 45 -4.528 -4.743 -1.104 1.00 0.00 C ATOM 1552 CD2 LEU B 45 -3.749 -3.292 -2.950 1.00 0.00 C ATOM 0 H LEU B 45 -6.565 -6.859 -4.808 1.00 0.00 H new ATOM 0 HA LEU B 45 -7.392 -4.425 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -5.563 -6.119 -2.869 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -4.558 -5.398 -4.110 1.00 0.00 H new ATOM 0 HG LEU B 45 -5.791 -3.435 -2.301 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -4.218 -3.965 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -5.373 -5.290 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -3.699 -5.430 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -3.477 -2.534 -2.216 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -2.901 -3.956 -3.117 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -4.021 -2.808 -3.888 1.00 0.00 H new ATOM 1564 N SER B 46 -6.544 -2.506 -4.868 1.00 0.00 N ATOM 1565 CA SER B 46 -5.937 -1.342 -5.494 1.00 0.00 C ATOM 1566 C SER B 46 -5.801 -0.256 -4.425 1.00 0.00 C ATOM 1567 O SER B 46 -6.379 -0.366 -3.340 1.00 0.00 O ATOM 1568 CB SER B 46 -6.744 -0.910 -6.718 1.00 0.00 C ATOM 1569 OG SER B 46 -6.594 -1.883 -7.733 1.00 0.00 O ATOM 0 H SER B 46 -7.141 -2.268 -4.076 1.00 0.00 H new ATOM 0 HA SER B 46 -4.941 -1.565 -5.876 1.00 0.00 H new ATOM 0 HB2 SER B 46 -7.796 -0.798 -6.456 1.00 0.00 H new ATOM 0 HB3 SER B 46 -6.399 0.061 -7.073 1.00 0.00 H new ATOM 0 HG SER B 46 -6.018 -2.607 -7.410 1.00 0.00 H new ATOM 1575 N PHE B 47 -4.996 0.772 -4.702 1.00 0.00 N ATOM 1576 CA PHE B 47 -4.585 1.751 -3.716 1.00 0.00 C ATOM 1577 C PHE B 47 -5.333 3.054 -3.949 1.00 0.00 C ATOM 1578 O PHE B 47 -5.913 3.297 -5.008 1.00 0.00 O ATOM 1579 CB PHE B 47 -3.067 1.940 -3.751 1.00 0.00 C ATOM 1580 CG PHE B 47 -2.497 2.531 -2.472 1.00 0.00 C ATOM 1581 CD1 PHE B 47 -2.097 1.675 -1.429 1.00 0.00 C ATOM 1582 CD2 PHE B 47 -2.375 3.926 -2.308 1.00 0.00 C ATOM 1583 CE1 PHE B 47 -1.618 2.206 -0.219 1.00 0.00 C ATOM 1584 CE2 PHE B 47 -1.904 4.457 -1.095 1.00 0.00 C ATOM 1585 CZ PHE B 47 -1.530 3.598 -0.047 1.00 0.00 C ATOM 0 H PHE B 47 -4.611 0.942 -5.631 1.00 0.00 H new ATOM 0 HA PHE B 47 -4.837 1.395 -2.717 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -2.594 0.976 -3.938 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -2.809 2.590 -4.588 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -2.158 0.605 -1.559 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.644 4.589 -3.117 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -1.317 1.544 0.579 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -1.829 5.527 -0.968 1.00 0.00 H new ATOM 0 HZ PHE B 47 -1.176 4.007 0.888 1.00 0.00 H new ATOM 1595 N VAL B 48 -5.343 3.859 -2.898 1.00 0.00 N ATOM 1596 CA VAL B 48 -6.272 4.930 -2.627 1.00 0.00 C ATOM 1597 C VAL B 48 -5.381 6.034 -2.082 1.00 0.00 C ATOM 1598 O VAL B 48 -5.026 6.045 -0.903 1.00 0.00 O ATOM 1599 CB VAL B 48 -7.400 4.418 -1.685 1.00 0.00 C ATOM 1600 CG1 VAL B 48 -8.774 5.107 -1.534 1.00 0.00 C ATOM 1601 CG2 VAL B 48 -7.877 3.101 -2.242 1.00 0.00 C ATOM 0 H VAL B 48 -4.646 3.768 -2.159 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.829 5.310 -3.483 1.00 0.00 H new ATOM 0 HB VAL B 48 -6.878 4.525 -0.734 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -9.381 4.555 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -8.632 6.128 -1.179 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -9.280 5.126 -2.499 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -8.671 2.705 -1.610 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -8.258 3.250 -3.252 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -7.047 2.395 -2.267 1.00 0.00 H new ATOM 1611 N CYS B 49 -4.903 6.878 -3.001 1.00 0.00 N ATOM 1612 CA CYS B 49 -3.967 7.965 -2.711 1.00 0.00 C ATOM 1613 C CYS B 49 -4.538 8.825 -1.577 1.00 0.00 C ATOM 1614 O CYS B 49 -5.757 8.965 -1.517 1.00 0.00 O ATOM 1615 CB CYS B 49 -3.765 8.782 -3.998 1.00 0.00 C ATOM 1616 SG CYS B 49 -5.272 9.140 -4.956 1.00 0.00 S ATOM 0 H CYS B 49 -5.162 6.823 -3.986 1.00 0.00 H new ATOM 0 HA CYS B 49 -3.000 7.581 -2.386 1.00 0.00 H new ATOM 0 HB2 CYS B 49 -3.292 9.728 -3.735 1.00 0.00 H new ATOM 0 HB3 CYS B 49 -3.068 8.245 -4.641 1.00 0.00 H new ATOM 1621 N PRO B 50 -3.724 9.447 -0.698 1.00 0.00 N ATOM 1622 CA PRO B 50 -4.235 10.114 0.506 1.00 0.00 C ATOM 1623 C PRO B 50 -5.306 11.184 0.220 1.00 0.00 C ATOM 1624 O PRO B 50 -6.219 11.380 1.029 1.00 0.00 O ATOM 1625 CB PRO B 50 -3.005 10.668 1.238 1.00 0.00 C ATOM 1626 CG PRO B 50 -1.883 10.621 0.198 1.00 0.00 C ATOM 1627 CD PRO B 50 -2.268 9.435 -0.681 1.00 0.00 C ATOM 0 HA PRO B 50 -4.773 9.402 1.132 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -3.178 11.685 1.589 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -2.760 10.066 2.113 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -1.828 11.546 -0.376 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -0.908 10.477 0.664 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -1.859 9.537 -1.686 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -1.884 8.499 -0.275 1.00 0.00 H new ATOM 1635 N TRP B 51 -5.241 11.808 -0.963 1.00 0.00 N ATOM 1636 CA TRP B 51 -6.289 12.637 -1.536 1.00 0.00 C ATOM 1637 C TRP B 51 -7.616 11.868 -1.599 1.00 0.00 C ATOM 1638 O TRP B 51 -8.554 12.245 -0.897 1.00 0.00 O ATOM 1639 CB TRP B 51 -5.833 13.135 -2.917 1.00 0.00 C ATOM 1640 CG TRP B 51 -6.882 13.800 -3.756 1.00 0.00 C ATOM 1641 CD1 TRP B 51 -7.679 14.820 -3.364 1.00 0.00 C ATOM 1642 CD2 TRP B 51 -7.268 13.501 -5.133 1.00 0.00 C ATOM 1643 NE1 TRP B 51 -8.545 15.152 -4.385 1.00 0.00 N ATOM 1644 CE2 TRP B 51 -8.332 14.375 -5.504 1.00 0.00 C ATOM 1645 CE3 TRP B 51 -6.823 12.583 -6.111 1.00 0.00 C ATOM 1646 CZ2 TRP B 51 -8.927 14.338 -6.775 1.00 0.00 C ATOM 1647 CZ3 TRP B 51 -7.405 12.543 -7.391 1.00 0.00 C ATOM 1648 CH2 TRP B 51 -8.458 13.414 -7.724 1.00 0.00 C ATOM 0 H TRP B 51 -4.420 11.741 -1.565 1.00 0.00 H new ATOM 0 HA TRP B 51 -6.467 13.506 -0.902 1.00 0.00 H new ATOM 0 HB2 TRP B 51 -5.011 13.837 -2.775 1.00 0.00 H new ATOM 0 HB3 TRP B 51 -5.435 12.287 -3.474 1.00 0.00 H new ATOM 0 HD1 TRP B 51 -7.643 15.302 -2.398 1.00 0.00 H new ATOM 0 HE1 TRP B 51 -9.255 15.882 -4.320 1.00 0.00 H new ATOM 0 HE3 TRP B 51 -6.022 11.900 -5.871 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 -9.735 15.011 -7.020 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 -7.041 11.838 -8.124 1.00 0.00 H new ATOM 0 HH2 TRP B 51 -8.905 13.373 -8.706 1.00 0.00 H new ATOM 1659 N CYS B 52 -7.706 10.803 -2.403 1.00 0.00 N ATOM 1660 CA CYS B 52 -8.928 10.016 -2.554 1.00 0.00 C ATOM 1661 C CYS B 52 -9.283 9.246 -1.282 1.00 0.00 C ATOM 1662 O CYS B 52 -10.450 8.971 -1.026 1.00 0.00 O ATOM 1663 CB CYS B 52 -8.808 9.060 -3.744 1.00 0.00 C ATOM 1664 SG CYS B 52 -8.322 7.388 -3.499 1.00 0.00 S ATOM 0 H CYS B 52 -6.928 10.464 -2.969 1.00 0.00 H new ATOM 0 HA CYS B 52 -9.740 10.718 -2.742 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -9.777 9.044 -4.243 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -8.098 9.503 -4.442 1.00 0.00 H new ATOM 1669 N ALA B 53 -8.294 8.910 -0.449 1.00 0.00 N ATOM 1670 CA ALA B 53 -8.559 8.287 0.833 1.00 0.00 C ATOM 1671 C ALA B 53 -9.439 9.214 1.670 1.00 0.00 C ATOM 1672 O ALA B 53 -10.469 8.779 2.191 1.00 0.00 O ATOM 1673 CB ALA B 53 -7.250 7.968 1.555 1.00 0.00 C ATOM 0 H ALA B 53 -7.305 9.063 -0.647 1.00 0.00 H new ATOM 0 HA ALA B 53 -9.086 7.345 0.678 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -7.469 7.501 2.515 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -6.656 7.286 0.947 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -6.691 8.889 1.719 1.00 0.00 H new ATOM 1679 N THR B 54 -9.031 10.486 1.742 1.00 0.00 N ATOM 1680 CA THR B 54 -9.697 11.552 2.476 1.00 0.00 C ATOM 1681 C THR B 54 -11.018 11.957 1.801 1.00 0.00 C ATOM 1682 O THR B 54 -12.046 12.036 2.468 1.00 0.00 O ATOM 1683 CB THR B 54 -8.731 12.751 2.592 1.00 0.00 C ATOM 1684 OG1 THR B 54 -7.461 12.334 3.059 1.00 0.00 O ATOM 1685 CG2 THR B 54 -9.250 13.827 3.550 1.00 0.00 C ATOM 0 H THR B 54 -8.188 10.808 1.266 1.00 0.00 H new ATOM 0 HA THR B 54 -9.955 11.198 3.474 1.00 0.00 H new ATOM 0 HB THR B 54 -8.654 13.171 1.589 1.00 0.00 H new ATOM 0 HG1 THR B 54 -6.830 12.307 2.310 1.00 0.00 H new ATOM 0 HG21 THR B 54 -8.535 14.648 3.597 1.00 0.00 H new ATOM 0 HG22 THR B 54 -10.209 14.201 3.192 1.00 0.00 H new ATOM 0 HG23 THR B 54 -9.376 13.399 4.544 1.00 0.00 H new ATOM 1693 N ASN B 55 -10.991 12.248 0.493 1.00 0.00 N ATOM 1694 CA ASN B 55 -12.096 12.896 -0.230 1.00 0.00 C ATOM 1695 C ASN B 55 -13.109 11.897 -0.790 1.00 0.00 C ATOM 1696 O ASN B 55 -14.198 12.307 -1.188 1.00 0.00 O ATOM 1697 CB ASN B 55 -11.558 13.771 -1.377 1.00 0.00 C ATOM 1698 CG ASN B 55 -10.786 14.973 -0.854 1.00 0.00 C ATOM 1699 OD1 ASN B 55 -11.309 16.074 -0.746 1.00 0.00 O ATOM 1700 ND2 ASN B 55 -9.530 14.776 -0.488 1.00 0.00 N ATOM 0 H ASN B 55 -10.190 12.037 -0.102 1.00 0.00 H new ATOM 0 HA ASN B 55 -12.613 13.517 0.502 1.00 0.00 H new ATOM 0 HB2 ASN B 55 -10.910 13.173 -2.018 1.00 0.00 H new ATOM 0 HB3 ASN B 55 -12.389 14.113 -1.994 1.00 0.00 H new ATOM 0 HD21 ASN B 55 -8.982 15.548 -0.109 1.00 0.00 H new ATOM 0 HD22 ASN B 55 -9.110 13.852 -0.585 1.00 0.00 H new ATOM 1707 N GLN B 56 -12.754 10.609 -0.784 1.00 0.00 N ATOM 1708 CA GLN B 56 -13.419 9.515 -1.489 1.00 0.00 C ATOM 1709 C GLN B 56 -13.276 9.701 -3.006 1.00 0.00 C ATOM 1710 O GLN B 56 -12.197 10.184 -3.421 1.00 0.00 O ATOM 1711 CB GLN B 56 -14.854 9.331 -0.960 1.00 0.00 C ATOM 1712 CG GLN B 56 -15.426 7.935 -1.233 1.00 0.00 C ATOM 1713 CD GLN B 56 -16.672 7.710 -0.387 1.00 0.00 C ATOM 1714 OE1 GLN B 56 -16.568 7.291 0.764 1.00 0.00 O ATOM 1715 NE2 GLN B 56 -17.853 7.998 -0.917 1.00 0.00 N ATOM 0 H GLN B 56 -11.945 10.285 -0.254 1.00 0.00 H new ATOM 0 HA GLN B 56 -12.932 8.562 -1.283 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -14.865 9.517 0.114 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -15.502 10.078 -1.419 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -15.671 7.833 -2.290 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -14.679 7.175 -1.004 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -17.911 8.344 -1.875 1.00 0.00 H new ATOM 0 HE22 GLN B 56 -18.703 7.873 -0.367 1.00 0.00 H new TER 1724 GLN B 56 HETATM 1725 ZN ZN A 57 7.534 7.670 4.962 1.00 0.00 ZN HETATM 1726 ZN ZN B 57 -7.122 7.645 -5.673 1.00 0.00 ZN