USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 809 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 CYS SG : rot 144:sc= 0.547 USER MOD Set 1.2: A 78 GLN : amide:sc= -4.21! C(o=-3.7!,f=-8.5!) USER MOD Set 2.1: A 32 CYS SG : rot -138:sc= 0.326! USER MOD Set 2.2: A 35 CYS SG : rot 117:sc= 0.524! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= 0 (180deg=-0.205) USER MOD Single : A 3 LYS NZ :NH3+ 150:sc= -0.0437 (180deg=-0.418) USER MOD Single : A 4 GLN : amide:sc= -0.0794 K(o=-0.079,f=-2!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -154:sc= -0.0207 (180deg=-0.233) USER MOD Single : A 9 THR OG1 : rot 180:sc=0.000456 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0296 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 171:sc= -0.153 (180deg=-0.356) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= 1.29 (180deg=1.22) USER MOD Single : A 43 HIS : no HE2:sc= -0.424 K(o=-0.42,f=-6.1!) USER MOD Single : A 44 SER OG : rot 113:sc= 1.17 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.94 X(o=-0.94,f=-0.59) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -3.6! C(o=-3.6!,f=-5.4!) USER MOD Single : A 67 SER OG : rot 91:sc= 0.252 USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0181) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00345 USER MOD Single : A 76 THR OG1 : rot 123:sc= 1.33 USER MOD Single : A 81 LYS NZ :NH3+ -145:sc=-0.00358 (180deg=-0.421) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.0872 X(o=-0.087,f=-0.3) USER MOD Single : A 85 LYS NZ :NH3+ 162:sc= 0.139 (180deg=0.0569) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN :FLIP amide:sc= -0.0607 F(o=-2.2!,f=-0.061) USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= -0.134 (180deg=-0.752) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 87:sc= -0.482! USER MOD Single : A 102 ASN : amide:sc= -0.0973 K(o=-0.097,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.513 -2.046 7.906 1.00 1.57 N ATOM 2 CA MET A 1 -6.567 -1.798 9.031 1.00 0.96 C ATOM 3 C MET A 1 -5.156 -1.581 8.474 1.00 0.65 C ATOM 4 O MET A 1 -4.560 -2.482 7.919 1.00 0.72 O ATOM 5 CB MET A 1 -6.549 -2.985 9.992 1.00 1.31 C ATOM 6 CG MET A 1 -7.975 -3.263 10.475 1.00 2.03 C ATOM 7 SD MET A 1 -8.174 -3.893 12.160 1.00 1.97 S ATOM 8 CE MET A 1 -9.981 -3.981 12.156 1.00 3.33 C ATOM 0 H1 MET A 1 -8.488 -1.891 8.232 1.00 1.57 H new ATOM 0 H2 MET A 1 -7.302 -1.393 7.124 1.00 1.57 H new ATOM 0 H3 MET A 1 -7.410 -3.027 7.575 1.00 1.57 H new ATOM 0 HA MET A 1 -6.897 -0.911 9.572 1.00 0.96 H new ATOM 0 HB2 MET A 1 -6.143 -3.865 9.494 1.00 1.31 H new ATOM 0 HB3 MET A 1 -5.900 -2.771 10.841 1.00 1.31 H new ATOM 0 HG2 MET A 1 -8.546 -2.338 10.391 1.00 2.03 H new ATOM 0 HG3 MET A 1 -8.429 -3.980 9.791 1.00 2.03 H new ATOM 0 HE1 MET A 1 -10.329 -4.353 13.120 1.00 3.33 H new ATOM 0 HE2 MET A 1 -10.393 -2.987 11.980 1.00 3.33 H new ATOM 0 HE3 MET A 1 -10.311 -4.656 11.366 1.00 3.33 H new ATOM 20 N VAL A 2 -4.654 -0.387 8.632 1.00 0.42 N ATOM 21 CA VAL A 2 -3.284 -0.093 8.121 1.00 0.28 C ATOM 22 C VAL A 2 -2.255 -0.965 8.847 1.00 0.34 C ATOM 23 O VAL A 2 -2.265 -1.061 10.059 1.00 0.42 O ATOM 24 CB VAL A 2 -2.967 1.380 8.354 1.00 0.55 C ATOM 25 CG1 VAL A 2 -1.559 1.676 7.845 1.00 0.72 C ATOM 26 CG2 VAL A 2 -3.969 2.239 7.578 1.00 0.51 C ATOM 0 H VAL A 2 -5.128 0.392 9.089 1.00 0.42 H new ATOM 0 HA VAL A 2 -3.241 -0.313 7.054 1.00 0.28 H new ATOM 0 HB VAL A 2 -3.032 1.606 9.418 1.00 0.55 H new ATOM 0 HG11 VAL A 2 -1.327 2.728 8.009 1.00 0.72 H new ATOM 0 HG12 VAL A 2 -0.840 1.058 8.383 1.00 0.72 H new ATOM 0 HG13 VAL A 2 -1.503 1.454 6.779 1.00 0.72 H new ATOM 0 HG21 VAL A 2 -3.747 3.294 7.741 1.00 0.51 H new ATOM 0 HG22 VAL A 2 -3.895 2.013 6.514 1.00 0.51 H new ATOM 0 HG23 VAL A 2 -4.979 2.023 7.925 1.00 0.51 H new ATOM 36 N LYS A 3 -1.388 -1.582 8.089 1.00 0.35 N ATOM 37 CA LYS A 3 -0.354 -2.460 8.718 1.00 0.50 C ATOM 38 C LYS A 3 0.988 -2.312 7.990 1.00 0.38 C ATOM 39 O LYS A 3 1.031 -2.166 6.783 1.00 0.22 O ATOM 40 CB LYS A 3 -0.820 -3.912 8.635 1.00 0.62 C ATOM 41 CG LYS A 3 -0.035 -4.751 9.644 1.00 0.87 C ATOM 42 CD LYS A 3 -0.460 -6.216 9.518 1.00 0.45 C ATOM 43 CE LYS A 3 0.613 -6.984 8.746 1.00 1.23 C ATOM 44 NZ LYS A 3 1.861 -7.094 9.554 1.00 2.60 N ATOM 0 H LYS A 3 -1.349 -1.519 7.072 1.00 0.35 H new ATOM 0 HA LYS A 3 -0.220 -2.167 9.759 1.00 0.50 H new ATOM 0 HB2 LYS A 3 -1.888 -3.976 8.844 1.00 0.62 H new ATOM 0 HB3 LYS A 3 -0.668 -4.298 7.627 1.00 0.62 H new ATOM 0 HG2 LYS A 3 1.035 -4.653 9.462 1.00 0.87 H new ATOM 0 HG3 LYS A 3 -0.220 -4.392 10.656 1.00 0.87 H new ATOM 0 HD2 LYS A 3 -0.598 -6.654 10.507 1.00 0.45 H new ATOM 0 HD3 LYS A 3 -1.417 -6.287 9.002 1.00 0.45 H new ATOM 0 HE2 LYS A 3 0.246 -7.979 8.495 1.00 1.23 H new ATOM 0 HE3 LYS A 3 0.826 -6.476 7.805 1.00 1.23 H new ATOM 0 HZ1 LYS A 3 2.360 -7.972 9.305 1.00 2.60 H new ATOM 0 HZ2 LYS A 3 2.476 -6.279 9.356 1.00 2.60 H new ATOM 0 HZ3 LYS A 3 1.620 -7.108 10.565 1.00 2.60 H new ATOM 58 N GLN A 4 2.054 -2.354 8.746 1.00 0.55 N ATOM 59 CA GLN A 4 3.406 -2.220 8.126 1.00 0.50 C ATOM 60 C GLN A 4 4.059 -3.597 7.981 1.00 0.45 C ATOM 61 O GLN A 4 4.104 -4.370 8.917 1.00 0.70 O ATOM 62 CB GLN A 4 4.276 -1.332 9.014 1.00 0.76 C ATOM 63 CG GLN A 4 5.653 -1.172 8.366 1.00 0.74 C ATOM 64 CD GLN A 4 6.398 -0.018 9.042 1.00 0.87 C ATOM 65 OE1 GLN A 4 5.852 0.693 9.862 1.00 1.17 O ATOM 66 NE2 GLN A 4 7.645 0.202 8.727 1.00 1.71 N ATOM 0 H GLN A 4 2.048 -2.474 9.759 1.00 0.55 H new ATOM 0 HA GLN A 4 3.307 -1.773 7.137 1.00 0.50 H new ATOM 0 HB2 GLN A 4 3.807 -0.357 9.146 1.00 0.76 H new ATOM 0 HB3 GLN A 4 4.376 -1.774 10.005 1.00 0.76 H new ATOM 0 HG2 GLN A 4 6.224 -2.096 8.464 1.00 0.74 H new ATOM 0 HG3 GLN A 4 5.545 -0.976 7.299 1.00 0.74 H new ATOM 0 HE21 GLN A 4 8.110 -0.391 8.039 1.00 1.71 H new ATOM 0 HE22 GLN A 4 8.155 0.967 9.168 1.00 1.71 H new ATOM 75 N ILE A 5 4.554 -3.869 6.807 1.00 0.29 N ATOM 76 CA ILE A 5 5.205 -5.191 6.573 1.00 0.30 C ATOM 77 C ILE A 5 6.657 -5.149 7.074 1.00 0.31 C ATOM 78 O ILE A 5 7.106 -4.144 7.589 1.00 0.34 O ATOM 79 CB ILE A 5 5.185 -5.502 5.058 1.00 0.27 C ATOM 80 CG1 ILE A 5 3.750 -5.333 4.488 1.00 0.30 C ATOM 81 CG2 ILE A 5 5.682 -6.937 4.805 1.00 0.37 C ATOM 82 CD1 ILE A 5 2.866 -6.541 4.842 1.00 0.43 C ATOM 0 H ILE A 5 4.538 -3.240 6.004 1.00 0.29 H new ATOM 0 HA ILE A 5 4.665 -5.968 7.114 1.00 0.30 H new ATOM 0 HB ILE A 5 5.848 -4.800 4.552 1.00 0.27 H new ATOM 0 HG12 ILE A 5 3.303 -4.422 4.886 1.00 0.30 H new ATOM 0 HG13 ILE A 5 3.797 -5.218 3.405 1.00 0.30 H new ATOM 0 HG21 ILE A 5 5.664 -7.145 3.735 1.00 0.37 H new ATOM 0 HG22 ILE A 5 6.701 -7.040 5.177 1.00 0.37 H new ATOM 0 HG23 ILE A 5 5.033 -7.643 5.323 1.00 0.37 H new ATOM 0 HD11 ILE A 5 1.868 -6.394 4.430 1.00 0.43 H new ATOM 0 HD12 ILE A 5 3.303 -7.447 4.422 1.00 0.43 H new ATOM 0 HD13 ILE A 5 2.800 -6.639 5.926 1.00 0.43 H new ATOM 94 N GLU A 6 7.354 -6.246 6.918 1.00 0.32 N ATOM 95 CA GLU A 6 8.777 -6.292 7.379 1.00 0.34 C ATOM 96 C GLU A 6 9.648 -6.995 6.333 1.00 0.38 C ATOM 97 O GLU A 6 10.734 -6.545 6.024 1.00 0.54 O ATOM 98 CB GLU A 6 8.849 -7.062 8.698 1.00 0.24 C ATOM 99 CG GLU A 6 7.949 -6.379 9.728 1.00 1.77 C ATOM 100 CD GLU A 6 8.545 -6.568 11.123 1.00 1.69 C ATOM 101 OE1 GLU A 6 8.765 -7.717 11.467 1.00 0.91 O ATOM 102 OE2 GLU A 6 8.747 -5.551 11.767 1.00 2.81 O ATOM 0 H GLU A 6 7.004 -7.106 6.495 1.00 0.32 H new ATOM 0 HA GLU A 6 9.143 -5.275 7.519 1.00 0.34 H new ATOM 0 HB2 GLU A 6 8.532 -8.094 8.548 1.00 0.24 H new ATOM 0 HB3 GLU A 6 9.877 -7.093 9.059 1.00 0.24 H new ATOM 0 HG2 GLU A 6 7.857 -5.317 9.500 1.00 1.77 H new ATOM 0 HG3 GLU A 6 6.945 -6.802 9.688 1.00 1.77 H new ATOM 109 N SER A 7 9.152 -8.083 5.811 1.00 0.31 N ATOM 110 CA SER A 7 9.938 -8.829 4.783 1.00 0.33 C ATOM 111 C SER A 7 9.002 -9.414 3.720 1.00 0.31 C ATOM 112 O SER A 7 7.803 -9.225 3.774 1.00 0.31 O ATOM 113 CB SER A 7 10.703 -9.962 5.466 1.00 0.33 C ATOM 114 OG SER A 7 9.690 -10.739 6.088 1.00 0.24 O ATOM 0 H SER A 7 8.245 -8.486 6.048 1.00 0.31 H new ATOM 0 HA SER A 7 10.636 -8.145 4.299 1.00 0.33 H new ATOM 0 HB2 SER A 7 11.271 -10.551 4.745 1.00 0.33 H new ATOM 0 HB3 SER A 7 11.416 -9.578 6.196 1.00 0.33 H new ATOM 0 HG SER A 7 10.099 -11.498 6.554 1.00 0.24 H new ATOM 120 N LYS A 8 9.571 -10.112 2.776 1.00 0.35 N ATOM 121 CA LYS A 8 8.727 -10.714 1.702 1.00 0.34 C ATOM 122 C LYS A 8 7.956 -11.914 2.248 1.00 0.23 C ATOM 123 O LYS A 8 6.819 -12.146 1.887 1.00 0.09 O ATOM 124 CB LYS A 8 9.624 -11.162 0.549 1.00 0.44 C ATOM 125 CG LYS A 8 8.753 -11.739 -0.571 1.00 0.42 C ATOM 126 CD LYS A 8 9.632 -12.035 -1.790 1.00 0.90 C ATOM 127 CE LYS A 8 9.496 -13.514 -2.157 1.00 0.15 C ATOM 128 NZ LYS A 8 10.054 -14.374 -1.076 1.00 1.37 N ATOM 0 H LYS A 8 10.572 -10.291 2.700 1.00 0.35 H new ATOM 0 HA LYS A 8 8.014 -9.970 1.347 1.00 0.34 H new ATOM 0 HB2 LYS A 8 10.206 -10.319 0.176 1.00 0.44 H new ATOM 0 HB3 LYS A 8 10.335 -11.912 0.896 1.00 0.44 H new ATOM 0 HG2 LYS A 8 8.261 -12.651 -0.232 1.00 0.42 H new ATOM 0 HG3 LYS A 8 7.967 -11.033 -0.837 1.00 0.42 H new ATOM 0 HD2 LYS A 8 9.332 -11.410 -2.631 1.00 0.90 H new ATOM 0 HD3 LYS A 8 10.673 -11.796 -1.570 1.00 0.90 H new ATOM 0 HE2 LYS A 8 8.446 -13.759 -2.319 1.00 0.15 H new ATOM 0 HE3 LYS A 8 10.018 -13.712 -3.093 1.00 0.15 H new ATOM 0 HZ1 LYS A 8 10.362 -15.282 -1.479 1.00 1.37 H new ATOM 0 HZ2 LYS A 8 10.867 -13.896 -0.637 1.00 1.37 H new ATOM 0 HZ3 LYS A 8 9.323 -14.545 -0.356 1.00 1.37 H new ATOM 142 N THR A 9 8.592 -12.649 3.107 1.00 0.39 N ATOM 143 CA THR A 9 7.917 -13.838 3.693 1.00 0.40 C ATOM 144 C THR A 9 6.565 -13.428 4.266 1.00 0.25 C ATOM 145 O THR A 9 5.604 -14.170 4.208 1.00 0.30 O ATOM 146 CB THR A 9 8.793 -14.421 4.805 1.00 0.55 C ATOM 147 OG1 THR A 9 10.047 -14.677 4.182 1.00 0.83 O ATOM 148 CG2 THR A 9 8.282 -15.786 5.259 1.00 0.59 C ATOM 0 H THR A 9 9.545 -12.482 3.430 1.00 0.39 H new ATOM 0 HA THR A 9 7.765 -14.590 2.919 1.00 0.40 H new ATOM 0 HB THR A 9 8.818 -13.740 5.656 1.00 0.55 H new ATOM 0 HG1 THR A 9 10.668 -15.054 4.840 1.00 0.83 H new ATOM 0 HG21 THR A 9 8.927 -16.171 6.049 1.00 0.59 H new ATOM 0 HG22 THR A 9 7.265 -15.686 5.637 1.00 0.59 H new ATOM 0 HG23 THR A 9 8.290 -16.476 4.415 1.00 0.59 H new ATOM 156 N ALA A 10 6.527 -12.252 4.807 1.00 0.20 N ATOM 157 CA ALA A 10 5.261 -11.749 5.390 1.00 0.17 C ATOM 158 C ALA A 10 4.353 -11.216 4.284 1.00 0.14 C ATOM 159 O ALA A 10 3.184 -11.535 4.230 1.00 0.14 O ATOM 160 CB ALA A 10 5.576 -10.626 6.367 1.00 0.34 C ATOM 0 H ALA A 10 7.320 -11.614 4.872 1.00 0.20 H new ATOM 0 HA ALA A 10 4.753 -12.563 5.908 1.00 0.17 H new ATOM 0 HB1 ALA A 10 4.649 -10.250 6.801 1.00 0.34 H new ATOM 0 HB2 ALA A 10 6.221 -11.004 7.160 1.00 0.34 H new ATOM 0 HB3 ALA A 10 6.084 -9.818 5.841 1.00 0.34 H new ATOM 166 N PHE A 11 4.917 -10.405 3.427 1.00 0.13 N ATOM 167 CA PHE A 11 4.110 -9.834 2.310 1.00 0.11 C ATOM 168 C PHE A 11 3.223 -10.917 1.696 1.00 0.10 C ATOM 169 O PHE A 11 2.164 -10.635 1.177 1.00 0.10 O ATOM 170 CB PHE A 11 5.060 -9.285 1.246 1.00 0.10 C ATOM 171 CG PHE A 11 4.250 -8.623 0.129 1.00 0.10 C ATOM 172 CD1 PHE A 11 3.546 -7.456 0.368 1.00 0.07 C ATOM 173 CD2 PHE A 11 4.213 -9.184 -1.138 1.00 0.13 C ATOM 174 CE1 PHE A 11 2.816 -6.861 -0.642 1.00 0.09 C ATOM 175 CE2 PHE A 11 3.483 -8.586 -2.145 1.00 0.14 C ATOM 176 CZ PHE A 11 2.787 -7.426 -1.897 1.00 0.12 C ATOM 0 H PHE A 11 5.895 -10.115 3.452 1.00 0.13 H new ATOM 0 HA PHE A 11 3.474 -9.035 2.691 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.743 -8.562 1.692 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.671 -10.091 0.838 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.568 -7.008 1.350 1.00 0.07 H new ATOM 0 HD2 PHE A 11 4.759 -10.094 -1.338 1.00 0.13 H new ATOM 0 HE1 PHE A 11 2.267 -5.951 -0.447 1.00 0.09 H new ATOM 0 HE2 PHE A 11 3.458 -9.030 -3.129 1.00 0.14 H new ATOM 0 HZ PHE A 11 2.218 -6.958 -2.687 1.00 0.12 H new ATOM 186 N GLN A 12 3.678 -12.134 1.768 1.00 0.10 N ATOM 187 CA GLN A 12 2.873 -13.253 1.191 1.00 0.10 C ATOM 188 C GLN A 12 1.711 -13.613 2.117 1.00 0.11 C ATOM 189 O GLN A 12 0.567 -13.651 1.704 1.00 0.10 O ATOM 190 CB GLN A 12 3.775 -14.470 1.000 1.00 0.10 C ATOM 191 CG GLN A 12 4.987 -14.066 0.156 1.00 0.97 C ATOM 192 CD GLN A 12 5.163 -15.063 -0.991 1.00 1.49 C ATOM 193 OE1 GLN A 12 5.382 -16.239 -0.778 1.00 2.29 O ATOM 194 NE2 GLN A 12 5.076 -14.634 -2.221 1.00 1.84 N ATOM 0 H GLN A 12 4.563 -12.405 2.196 1.00 0.10 H new ATOM 0 HA GLN A 12 2.464 -12.939 0.231 1.00 0.10 H new ATOM 0 HB2 GLN A 12 4.101 -14.852 1.967 1.00 0.10 H new ATOM 0 HB3 GLN A 12 3.225 -15.273 0.509 1.00 0.10 H new ATOM 0 HG2 GLN A 12 4.849 -13.060 -0.240 1.00 0.97 H new ATOM 0 HG3 GLN A 12 5.884 -14.045 0.775 1.00 0.97 H new ATOM 0 HE21 GLN A 12 4.892 -13.648 -2.405 1.00 1.84 H new ATOM 0 HE22 GLN A 12 5.192 -15.285 -2.998 1.00 1.84 H new ATOM 203 N GLU A 13 2.033 -13.867 3.345 1.00 0.13 N ATOM 204 CA GLU A 13 0.972 -14.240 4.329 1.00 0.14 C ATOM 205 C GLU A 13 -0.030 -13.092 4.509 1.00 0.10 C ATOM 206 O GLU A 13 -1.197 -13.320 4.757 1.00 0.09 O ATOM 207 CB GLU A 13 1.629 -14.557 5.671 1.00 0.19 C ATOM 208 CG GLU A 13 2.628 -15.701 5.483 1.00 0.75 C ATOM 209 CD GLU A 13 3.129 -16.168 6.851 1.00 1.01 C ATOM 210 OE1 GLU A 13 2.295 -16.658 7.594 1.00 1.15 O ATOM 211 OE2 GLU A 13 4.317 -16.007 7.077 1.00 2.00 O ATOM 0 H GLU A 13 2.982 -13.835 3.718 1.00 0.13 H new ATOM 0 HA GLU A 13 0.434 -15.112 3.957 1.00 0.14 H new ATOM 0 HB2 GLU A 13 2.137 -13.674 6.058 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.872 -14.836 6.404 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.155 -16.529 4.955 1.00 0.75 H new ATOM 0 HG3 GLU A 13 3.466 -15.370 4.870 1.00 0.75 H new ATOM 218 N ALA A 14 0.445 -11.884 4.381 1.00 0.10 N ATOM 219 CA ALA A 14 -0.473 -10.718 4.548 1.00 0.09 C ATOM 220 C ALA A 14 -1.545 -10.734 3.459 1.00 0.05 C ATOM 221 O ALA A 14 -2.688 -10.402 3.704 1.00 0.12 O ATOM 222 CB ALA A 14 0.335 -9.425 4.454 1.00 0.15 C ATOM 0 H ALA A 14 1.416 -11.653 4.171 1.00 0.10 H new ATOM 0 HA ALA A 14 -0.959 -10.779 5.522 1.00 0.09 H new ATOM 0 HB1 ALA A 14 -0.331 -8.570 4.575 1.00 0.15 H new ATOM 0 HB2 ALA A 14 1.091 -9.410 5.239 1.00 0.15 H new ATOM 0 HB3 ALA A 14 0.822 -9.370 3.480 1.00 0.15 H new ATOM 228 N LEU A 15 -1.155 -11.117 2.277 1.00 0.09 N ATOM 229 CA LEU A 15 -2.144 -11.166 1.165 1.00 0.05 C ATOM 230 C LEU A 15 -3.045 -12.390 1.329 1.00 0.07 C ATOM 231 O LEU A 15 -4.043 -12.529 0.650 1.00 0.08 O ATOM 232 CB LEU A 15 -1.399 -11.242 -0.169 1.00 0.07 C ATOM 233 CG LEU A 15 -0.582 -9.954 -0.372 1.00 0.06 C ATOM 234 CD1 LEU A 15 0.227 -10.071 -1.663 1.00 0.09 C ATOM 235 CD2 LEU A 15 -1.524 -8.749 -0.482 1.00 0.07 C ATOM 0 H LEU A 15 -0.205 -11.396 2.033 1.00 0.09 H new ATOM 0 HA LEU A 15 -2.761 -10.268 1.185 1.00 0.05 H new ATOM 0 HB2 LEU A 15 -0.740 -12.110 -0.181 1.00 0.07 H new ATOM 0 HB3 LEU A 15 -2.108 -11.369 -0.987 1.00 0.07 H new ATOM 0 HG LEU A 15 0.085 -9.815 0.479 1.00 0.06 H new ATOM 0 HD11 LEU A 15 0.808 -9.161 -1.812 1.00 0.09 H new ATOM 0 HD12 LEU A 15 0.901 -10.925 -1.594 1.00 0.09 H new ATOM 0 HD13 LEU A 15 -0.450 -10.211 -2.505 1.00 0.09 H new ATOM 0 HD21 LEU A 15 -0.938 -7.841 -0.626 1.00 0.07 H new ATOM 0 HD22 LEU A 15 -2.194 -8.887 -1.331 1.00 0.07 H new ATOM 0 HD23 LEU A 15 -2.111 -8.661 0.432 1.00 0.07 H new ATOM 247 N ASP A 16 -2.667 -13.254 2.229 1.00 0.14 N ATOM 248 CA ASP A 16 -3.489 -14.474 2.465 1.00 0.21 C ATOM 249 C ASP A 16 -4.449 -14.238 3.632 1.00 0.25 C ATOM 250 O ASP A 16 -5.391 -14.981 3.827 1.00 0.25 O ATOM 251 CB ASP A 16 -2.566 -15.648 2.789 1.00 0.28 C ATOM 252 CG ASP A 16 -3.382 -16.942 2.809 1.00 0.55 C ATOM 253 OD1 ASP A 16 -4.219 -17.067 1.930 1.00 1.26 O ATOM 254 OD2 ASP A 16 -3.122 -17.732 3.702 1.00 1.64 O ATOM 0 H ASP A 16 -1.831 -13.170 2.808 1.00 0.14 H new ATOM 0 HA ASP A 16 -4.068 -14.699 1.569 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -1.772 -15.717 2.046 1.00 0.28 H new ATOM 0 HB3 ASP A 16 -2.086 -15.492 3.755 1.00 0.28 H new ATOM 259 N ALA A 17 -4.186 -13.205 4.385 1.00 0.32 N ATOM 260 CA ALA A 17 -5.071 -12.896 5.545 1.00 0.39 C ATOM 261 C ALA A 17 -6.097 -11.826 5.155 1.00 0.42 C ATOM 262 O ALA A 17 -7.045 -11.580 5.873 1.00 0.52 O ATOM 263 CB ALA A 17 -4.216 -12.385 6.704 1.00 0.55 C ATOM 0 H ALA A 17 -3.403 -12.566 4.249 1.00 0.32 H new ATOM 0 HA ALA A 17 -5.601 -13.800 5.845 1.00 0.39 H new ATOM 0 HB1 ALA A 17 -4.857 -12.157 7.556 1.00 0.55 H new ATOM 0 HB2 ALA A 17 -3.493 -13.150 6.988 1.00 0.55 H new ATOM 0 HB3 ALA A 17 -3.687 -11.483 6.396 1.00 0.55 H new ATOM 269 N ALA A 18 -5.881 -11.212 4.024 1.00 0.37 N ATOM 270 CA ALA A 18 -6.833 -10.158 3.569 1.00 0.45 C ATOM 271 C ALA A 18 -7.933 -10.780 2.704 1.00 0.49 C ATOM 272 O ALA A 18 -8.648 -10.085 2.009 1.00 0.77 O ATOM 273 CB ALA A 18 -6.071 -9.117 2.750 1.00 0.41 C ATOM 0 H ALA A 18 -5.094 -11.392 3.400 1.00 0.37 H new ATOM 0 HA ALA A 18 -7.291 -9.686 4.439 1.00 0.45 H new ATOM 0 HB1 ALA A 18 -6.761 -8.343 2.414 1.00 0.41 H new ATOM 0 HB2 ALA A 18 -5.293 -8.667 3.367 1.00 0.41 H new ATOM 0 HB3 ALA A 18 -5.615 -9.598 1.884 1.00 0.41 H new ATOM 279 N GLY A 19 -8.047 -12.077 2.767 1.00 0.31 N ATOM 280 CA GLY A 19 -9.091 -12.759 1.954 1.00 0.46 C ATOM 281 C GLY A 19 -8.891 -12.452 0.470 1.00 0.48 C ATOM 282 O GLY A 19 -7.947 -12.912 -0.141 1.00 0.48 O ATOM 0 H GLY A 19 -7.468 -12.690 3.341 1.00 0.31 H new ATOM 0 HA2 GLY A 19 -9.045 -13.835 2.119 1.00 0.46 H new ATOM 0 HA3 GLY A 19 -10.081 -12.430 2.270 1.00 0.46 H new ATOM 286 N ASP A 20 -9.785 -11.679 -0.078 1.00 0.57 N ATOM 287 CA ASP A 20 -9.663 -11.328 -1.524 1.00 0.63 C ATOM 288 C ASP A 20 -10.257 -9.940 -1.784 1.00 0.63 C ATOM 289 O ASP A 20 -10.459 -9.550 -2.917 1.00 0.83 O ATOM 290 CB ASP A 20 -10.413 -12.369 -2.352 1.00 0.97 C ATOM 291 CG ASP A 20 -11.269 -13.232 -1.424 1.00 0.74 C ATOM 292 OD1 ASP A 20 -12.327 -12.748 -1.058 1.00 0.96 O ATOM 293 OD2 ASP A 20 -10.816 -14.327 -1.133 1.00 1.92 O ATOM 0 H ASP A 20 -10.588 -11.277 0.405 1.00 0.57 H new ATOM 0 HA ASP A 20 -8.610 -11.316 -1.805 1.00 0.63 H new ATOM 0 HB2 ASP A 20 -11.043 -11.876 -3.093 1.00 0.97 H new ATOM 0 HB3 ASP A 20 -9.706 -12.993 -2.899 1.00 0.97 H new ATOM 298 N LYS A 21 -10.521 -9.225 -0.726 1.00 0.63 N ATOM 299 CA LYS A 21 -11.098 -7.856 -0.892 1.00 0.62 C ATOM 300 C LYS A 21 -10.059 -6.933 -1.527 1.00 0.59 C ATOM 301 O LYS A 21 -9.049 -7.385 -2.027 1.00 1.07 O ATOM 302 CB LYS A 21 -11.499 -7.304 0.479 1.00 0.62 C ATOM 303 CG LYS A 21 -11.684 -8.464 1.462 1.00 1.15 C ATOM 304 CD LYS A 21 -12.426 -7.961 2.701 1.00 0.38 C ATOM 305 CE LYS A 21 -12.693 -9.142 3.637 1.00 0.80 C ATOM 306 NZ LYS A 21 -12.305 -8.800 5.033 1.00 1.51 N ATOM 0 H LYS A 21 -10.365 -9.522 0.237 1.00 0.63 H new ATOM 0 HA LYS A 21 -11.975 -7.909 -1.537 1.00 0.62 H new ATOM 0 HB2 LYS A 21 -10.733 -6.621 0.846 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -12.423 -6.732 0.397 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -12.245 -9.270 0.990 1.00 1.15 H new ATOM 0 HG3 LYS A 21 -10.715 -8.874 1.746 1.00 1.15 H new ATOM 0 HD2 LYS A 21 -11.834 -7.202 3.212 1.00 0.38 H new ATOM 0 HD3 LYS A 21 -13.366 -7.490 2.412 1.00 0.38 H new ATOM 0 HE2 LYS A 21 -13.749 -9.410 3.602 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -12.132 -10.014 3.301 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -12.493 -9.612 5.654 1.00 1.51 H new ATOM 0 HZ2 LYS A 21 -11.292 -8.567 5.065 1.00 1.51 H new ATOM 0 HZ3 LYS A 21 -12.859 -7.981 5.357 1.00 1.51 H new ATOM 320 N LEU A 22 -10.326 -5.658 -1.499 1.00 0.06 N ATOM 321 CA LEU A 22 -9.354 -4.701 -2.092 1.00 0.19 C ATOM 322 C LEU A 22 -8.106 -4.639 -1.209 1.00 0.15 C ATOM 323 O LEU A 22 -8.209 -4.443 -0.017 1.00 0.14 O ATOM 324 CB LEU A 22 -9.998 -3.314 -2.161 1.00 0.32 C ATOM 325 CG LEU A 22 -9.907 -2.772 -3.590 1.00 0.34 C ATOM 326 CD1 LEU A 22 -10.521 -1.370 -3.629 1.00 1.68 C ATOM 327 CD2 LEU A 22 -8.436 -2.687 -4.008 1.00 1.26 C ATOM 0 H LEU A 22 -11.165 -5.241 -1.096 1.00 0.06 H new ATOM 0 HA LEU A 22 -9.076 -5.027 -3.094 1.00 0.19 H new ATOM 0 HB2 LEU A 22 -11.041 -3.371 -1.849 1.00 0.32 H new ATOM 0 HB3 LEU A 22 -9.496 -2.635 -1.472 1.00 0.32 H new ATOM 0 HG LEU A 22 -10.443 -3.434 -4.271 1.00 0.34 H new ATOM 0 HD11 LEU A 22 -10.461 -0.975 -4.643 1.00 1.68 H new ATOM 0 HD12 LEU A 22 -11.565 -1.421 -3.321 1.00 1.68 H new ATOM 0 HD13 LEU A 22 -9.974 -0.714 -2.951 1.00 1.68 H new ATOM 0 HD21 LEU A 22 -8.369 -2.301 -5.025 1.00 1.26 H new ATOM 0 HD22 LEU A 22 -7.903 -2.019 -3.331 1.00 1.26 H new ATOM 0 HD23 LEU A 22 -7.988 -3.680 -3.966 1.00 1.26 H new ATOM 339 N VAL A 23 -6.954 -4.819 -1.807 1.00 0.18 N ATOM 340 CA VAL A 23 -5.691 -4.772 -1.005 1.00 0.21 C ATOM 341 C VAL A 23 -4.719 -3.766 -1.622 1.00 0.19 C ATOM 342 O VAL A 23 -4.060 -4.057 -2.601 1.00 0.28 O ATOM 343 CB VAL A 23 -5.060 -6.165 -0.993 1.00 0.27 C ATOM 344 CG1 VAL A 23 -3.780 -6.142 -0.153 1.00 0.71 C ATOM 345 CG2 VAL A 23 -6.047 -7.157 -0.376 1.00 0.28 C ATOM 0 H VAL A 23 -6.833 -4.995 -2.804 1.00 0.18 H new ATOM 0 HA VAL A 23 -5.915 -4.461 0.015 1.00 0.21 H new ATOM 0 HB VAL A 23 -4.820 -6.465 -2.013 1.00 0.27 H new ATOM 0 HG11 VAL A 23 -3.332 -7.136 -0.146 1.00 0.71 H new ATOM 0 HG12 VAL A 23 -3.076 -5.429 -0.582 1.00 0.71 H new ATOM 0 HG13 VAL A 23 -4.020 -5.845 0.868 1.00 0.71 H new ATOM 0 HG21 VAL A 23 -5.603 -8.152 -0.364 1.00 0.28 H new ATOM 0 HG22 VAL A 23 -6.280 -6.852 0.644 1.00 0.28 H new ATOM 0 HG23 VAL A 23 -6.962 -7.175 -0.967 1.00 0.28 H new ATOM 355 N VAL A 24 -4.651 -2.602 -1.031 1.00 0.14 N ATOM 356 CA VAL A 24 -3.736 -1.554 -1.572 1.00 0.13 C ATOM 357 C VAL A 24 -2.464 -1.470 -0.721 1.00 0.17 C ATOM 358 O VAL A 24 -2.483 -1.788 0.451 1.00 0.52 O ATOM 359 CB VAL A 24 -4.456 -0.209 -1.548 1.00 0.14 C ATOM 360 CG1 VAL A 24 -3.530 0.866 -2.110 1.00 0.17 C ATOM 361 CG2 VAL A 24 -5.711 -0.296 -2.419 1.00 0.13 C ATOM 0 H VAL A 24 -5.184 -2.333 -0.204 1.00 0.14 H new ATOM 0 HA VAL A 24 -3.457 -1.810 -2.594 1.00 0.13 H new ATOM 0 HB VAL A 24 -4.734 0.042 -0.524 1.00 0.14 H new ATOM 0 HG11 VAL A 24 -4.040 1.829 -2.095 1.00 0.17 H new ATOM 0 HG12 VAL A 24 -2.628 0.923 -1.501 1.00 0.17 H new ATOM 0 HG13 VAL A 24 -3.260 0.614 -3.136 1.00 0.17 H new ATOM 0 HG21 VAL A 24 -6.230 0.662 -2.406 1.00 0.13 H new ATOM 0 HG22 VAL A 24 -5.427 -0.541 -3.442 1.00 0.13 H new ATOM 0 HG23 VAL A 24 -6.371 -1.071 -2.030 1.00 0.13 H new ATOM 371 N VAL A 25 -1.384 -1.043 -1.334 1.00 0.22 N ATOM 372 CA VAL A 25 -0.099 -0.934 -0.582 1.00 0.18 C ATOM 373 C VAL A 25 0.532 0.434 -0.798 1.00 0.17 C ATOM 374 O VAL A 25 0.519 0.960 -1.893 1.00 0.29 O ATOM 375 CB VAL A 25 0.868 -1.995 -1.089 1.00 0.14 C ATOM 376 CG1 VAL A 25 1.972 -2.207 -0.053 1.00 0.35 C ATOM 377 CG2 VAL A 25 0.124 -3.307 -1.307 1.00 0.40 C ATOM 0 H VAL A 25 -1.340 -0.768 -2.315 1.00 0.22 H new ATOM 0 HA VAL A 25 -0.304 -1.074 0.479 1.00 0.18 H new ATOM 0 HB VAL A 25 1.304 -1.666 -2.032 1.00 0.14 H new ATOM 0 HG11 VAL A 25 2.667 -2.966 -0.412 1.00 0.35 H new ATOM 0 HG12 VAL A 25 2.507 -1.271 0.105 1.00 0.35 H new ATOM 0 HG13 VAL A 25 1.530 -2.535 0.888 1.00 0.35 H new ATOM 0 HG21 VAL A 25 0.820 -4.064 -1.670 1.00 0.40 H new ATOM 0 HG22 VAL A 25 -0.313 -3.638 -0.365 1.00 0.40 H new ATOM 0 HG23 VAL A 25 -0.667 -3.159 -2.042 1.00 0.40 H new ATOM 387 N ASP A 26 1.075 0.978 0.256 1.00 0.22 N ATOM 388 CA ASP A 26 1.740 2.304 0.140 1.00 0.19 C ATOM 389 C ASP A 26 3.258 2.120 0.187 1.00 0.13 C ATOM 390 O ASP A 26 3.860 2.158 1.244 1.00 0.12 O ATOM 391 CB ASP A 26 1.301 3.192 1.300 1.00 0.21 C ATOM 392 CG ASP A 26 2.141 4.471 1.303 1.00 0.26 C ATOM 393 OD1 ASP A 26 2.184 5.093 0.254 1.00 0.85 O ATOM 394 OD2 ASP A 26 2.693 4.754 2.353 1.00 1.21 O ATOM 0 H ASP A 26 1.087 0.563 1.188 1.00 0.22 H new ATOM 0 HA ASP A 26 1.460 2.771 -0.805 1.00 0.19 H new ATOM 0 HB2 ASP A 26 0.243 3.438 1.205 1.00 0.21 H new ATOM 0 HB3 ASP A 26 1.421 2.662 2.245 1.00 0.21 H new ATOM 399 N PHE A 27 3.842 1.907 -0.956 1.00 0.09 N ATOM 400 CA PHE A 27 5.319 1.728 -1.002 1.00 0.07 C ATOM 401 C PHE A 27 6.001 3.086 -0.825 1.00 0.04 C ATOM 402 O PHE A 27 6.256 3.784 -1.787 1.00 0.11 O ATOM 403 CB PHE A 27 5.706 1.130 -2.350 1.00 0.10 C ATOM 404 CG PHE A 27 5.385 -0.368 -2.361 1.00 0.09 C ATOM 405 CD1 PHE A 27 6.271 -1.279 -1.811 1.00 0.09 C ATOM 406 CD2 PHE A 27 4.203 -0.836 -2.923 1.00 0.08 C ATOM 407 CE1 PHE A 27 5.987 -2.629 -1.827 1.00 0.10 C ATOM 408 CE2 PHE A 27 3.926 -2.191 -2.931 1.00 0.08 C ATOM 409 CZ PHE A 27 4.818 -3.082 -2.386 1.00 0.09 C ATOM 0 H PHE A 27 3.365 1.849 -1.856 1.00 0.09 H new ATOM 0 HA PHE A 27 5.637 1.060 -0.202 1.00 0.07 H new ATOM 0 HB2 PHE A 27 5.165 1.634 -3.151 1.00 0.10 H new ATOM 0 HB3 PHE A 27 6.769 1.286 -2.536 1.00 0.10 H new ATOM 0 HD1 PHE A 27 7.191 -0.930 -1.366 1.00 0.09 H new ATOM 0 HD2 PHE A 27 3.499 -0.140 -3.355 1.00 0.08 H new ATOM 0 HE1 PHE A 27 6.686 -3.331 -1.398 1.00 0.10 H new ATOM 0 HE2 PHE A 27 3.005 -2.550 -3.367 1.00 0.08 H new ATOM 0 HZ PHE A 27 4.600 -4.140 -2.397 1.00 0.09 H new ATOM 419 N SER A 28 6.277 3.434 0.406 1.00 0.15 N ATOM 420 CA SER A 28 6.935 4.747 0.673 1.00 0.14 C ATOM 421 C SER A 28 8.025 4.586 1.736 1.00 0.11 C ATOM 422 O SER A 28 8.312 3.488 2.168 1.00 0.10 O ATOM 423 CB SER A 28 5.882 5.738 1.169 1.00 0.14 C ATOM 424 OG SER A 28 6.525 7.001 1.077 1.00 1.35 O ATOM 0 H SER A 28 6.077 2.870 1.232 1.00 0.15 H new ATOM 0 HA SER A 28 7.392 5.115 -0.246 1.00 0.14 H new ATOM 0 HB2 SER A 28 4.982 5.703 0.556 1.00 0.14 H new ATOM 0 HB3 SER A 28 5.579 5.519 2.193 1.00 0.14 H new ATOM 0 HG SER A 28 5.911 7.703 1.378 1.00 1.35 H new ATOM 430 N ALA A 29 8.606 5.692 2.131 1.00 0.10 N ATOM 431 CA ALA A 29 9.687 5.636 3.163 1.00 0.07 C ATOM 432 C ALA A 29 9.201 6.258 4.477 1.00 0.17 C ATOM 433 O ALA A 29 8.537 7.275 4.478 1.00 0.20 O ATOM 434 CB ALA A 29 10.896 6.413 2.654 1.00 0.13 C ATOM 0 H ALA A 29 8.381 6.625 1.786 1.00 0.10 H new ATOM 0 HA ALA A 29 9.957 4.596 3.345 1.00 0.07 H new ATOM 0 HB1 ALA A 29 11.691 6.379 3.399 1.00 0.13 H new ATOM 0 HB2 ALA A 29 11.250 5.967 1.725 1.00 0.13 H new ATOM 0 HB3 ALA A 29 10.612 7.450 2.474 1.00 0.13 H new ATOM 440 N THR A 30 9.547 5.631 5.569 1.00 0.28 N ATOM 441 CA THR A 30 9.119 6.171 6.893 1.00 0.43 C ATOM 442 C THR A 30 10.152 7.181 7.403 1.00 0.53 C ATOM 443 O THR A 30 9.804 8.229 7.911 1.00 0.80 O ATOM 444 CB THR A 30 8.998 5.015 7.890 1.00 0.56 C ATOM 445 OG1 THR A 30 8.414 5.597 9.051 1.00 0.74 O ATOM 446 CG2 THR A 30 10.370 4.514 8.337 1.00 0.59 C ATOM 0 H THR A 30 10.102 4.776 5.603 1.00 0.28 H new ATOM 0 HA THR A 30 8.156 6.670 6.787 1.00 0.43 H new ATOM 0 HB THR A 30 8.440 4.193 7.441 1.00 0.56 H new ATOM 0 HG1 THR A 30 8.303 4.910 9.741 1.00 0.74 H new ATOM 0 HG21 THR A 30 10.245 3.694 9.044 1.00 0.59 H new ATOM 0 HG22 THR A 30 10.930 4.164 7.470 1.00 0.59 H new ATOM 0 HG23 THR A 30 10.916 5.327 8.817 1.00 0.59 H new ATOM 454 N TRP A 31 11.401 6.841 7.254 1.00 0.38 N ATOM 455 CA TRP A 31 12.477 7.764 7.716 1.00 0.48 C ATOM 456 C TRP A 31 12.342 9.123 7.021 1.00 0.46 C ATOM 457 O TRP A 31 12.306 10.152 7.665 1.00 0.52 O ATOM 458 CB TRP A 31 13.829 7.150 7.366 1.00 0.50 C ATOM 459 CG TRP A 31 13.866 6.880 5.860 1.00 0.42 C ATOM 460 CD1 TRP A 31 13.332 5.805 5.291 1.00 0.36 C ATOM 461 CD2 TRP A 31 14.387 7.688 4.948 1.00 0.42 C ATOM 462 NE1 TRP A 31 13.552 5.993 3.985 1.00 0.30 N ATOM 463 CE2 TRP A 31 14.210 7.159 3.681 1.00 0.34 C ATOM 464 CE3 TRP A 31 15.029 8.915 5.084 1.00 0.51 C ATOM 465 CZ2 TRP A 31 14.661 7.836 2.573 1.00 0.35 C ATOM 466 CZ3 TRP A 31 15.481 9.588 3.968 1.00 0.53 C ATOM 467 CH2 TRP A 31 15.296 9.049 2.715 1.00 0.45 C ATOM 0 H TRP A 31 11.724 5.969 6.835 1.00 0.38 H new ATOM 0 HA TRP A 31 12.394 7.910 8.793 1.00 0.48 H new ATOM 0 HB2 TRP A 31 14.636 7.825 7.649 1.00 0.50 H new ATOM 0 HB3 TRP A 31 13.979 6.224 7.920 1.00 0.50 H new ATOM 0 HD1 TRP A 31 12.836 4.974 5.771 1.00 0.36 H new ATOM 0 HE1 TRP A 31 13.255 5.325 3.274 1.00 0.30 H new ATOM 0 HE3 TRP A 31 15.174 9.341 6.066 1.00 0.51 H new ATOM 0 HZ2 TRP A 31 14.517 7.415 1.589 1.00 0.35 H new ATOM 0 HZ3 TRP A 31 15.981 10.539 4.077 1.00 0.53 H new ATOM 0 HH2 TRP A 31 15.649 9.578 1.842 1.00 0.45 H new ATOM 478 N CYS A 32 12.269 9.095 5.716 1.00 0.41 N ATOM 479 CA CYS A 32 12.142 10.376 4.964 1.00 0.43 C ATOM 480 C CYS A 32 10.988 11.208 5.540 1.00 0.45 C ATOM 481 O CYS A 32 9.920 10.692 5.809 1.00 0.88 O ATOM 482 CB CYS A 32 11.876 10.077 3.491 1.00 0.39 C ATOM 483 SG CYS A 32 11.148 11.403 2.499 1.00 0.53 S ATOM 0 H CYS A 32 12.292 8.250 5.145 1.00 0.41 H new ATOM 0 HA CYS A 32 13.069 10.942 5.058 1.00 0.43 H new ATOM 0 HB2 CYS A 32 12.820 9.788 3.029 1.00 0.39 H new ATOM 0 HB3 CYS A 32 11.216 9.212 3.435 1.00 0.39 H new ATOM 0 HG CYS A 32 10.240 10.907 1.711 1.00 0.53 H new ATOM 489 N GLY A 33 11.230 12.476 5.713 1.00 0.33 N ATOM 490 CA GLY A 33 10.171 13.361 6.279 1.00 0.29 C ATOM 491 C GLY A 33 8.999 13.559 5.296 1.00 0.25 C ATOM 492 O GLY A 33 7.886 13.155 5.569 1.00 0.28 O ATOM 0 H GLY A 33 12.111 12.938 5.489 1.00 0.33 H new ATOM 0 HA2 GLY A 33 9.797 12.931 7.208 1.00 0.29 H new ATOM 0 HA3 GLY A 33 10.603 14.330 6.528 1.00 0.29 H new ATOM 496 N PRO A 34 9.279 14.182 4.168 1.00 0.19 N ATOM 497 CA PRO A 34 8.246 14.458 3.156 1.00 0.16 C ATOM 498 C PRO A 34 7.438 13.200 2.802 1.00 0.16 C ATOM 499 O PRO A 34 6.259 13.284 2.524 1.00 0.25 O ATOM 500 CB PRO A 34 9.012 14.979 1.936 1.00 0.15 C ATOM 501 CG PRO A 34 10.488 15.213 2.383 1.00 0.18 C ATOM 502 CD PRO A 34 10.634 14.639 3.806 1.00 0.22 C ATOM 0 HA PRO A 34 7.515 15.178 3.523 1.00 0.16 H new ATOM 0 HB2 PRO A 34 8.967 14.260 1.118 1.00 0.15 H new ATOM 0 HB3 PRO A 34 8.569 15.906 1.571 1.00 0.15 H new ATOM 0 HG2 PRO A 34 11.179 14.722 1.698 1.00 0.18 H new ATOM 0 HG3 PRO A 34 10.729 16.276 2.371 1.00 0.18 H new ATOM 0 HD2 PRO A 34 11.349 13.816 3.829 1.00 0.22 H new ATOM 0 HD3 PRO A 34 10.996 15.395 4.503 1.00 0.22 H new ATOM 510 N CYS A 35 8.079 12.066 2.819 1.00 0.14 N ATOM 511 CA CYS A 35 7.334 10.814 2.482 1.00 0.14 C ATOM 512 C CYS A 35 6.294 10.511 3.563 1.00 0.17 C ATOM 513 O CYS A 35 5.172 10.151 3.263 1.00 0.22 O ATOM 514 CB CYS A 35 8.313 9.651 2.381 1.00 0.15 C ATOM 515 SG CYS A 35 9.350 9.561 0.899 1.00 0.47 S ATOM 0 H CYS A 35 9.066 11.948 3.046 1.00 0.14 H new ATOM 0 HA CYS A 35 6.825 10.951 1.528 1.00 0.14 H new ATOM 0 HB2 CYS A 35 8.970 9.687 3.250 1.00 0.15 H new ATOM 0 HB3 CYS A 35 7.743 8.724 2.450 1.00 0.15 H new ATOM 0 HG CYS A 35 10.600 9.678 1.236 1.00 0.47 H new ATOM 521 N LYS A 36 6.684 10.660 4.802 1.00 0.21 N ATOM 522 CA LYS A 36 5.723 10.381 5.901 1.00 0.24 C ATOM 523 C LYS A 36 4.797 11.591 6.107 1.00 0.23 C ATOM 524 O LYS A 36 3.981 11.612 7.006 1.00 0.40 O ATOM 525 CB LYS A 36 6.500 10.085 7.187 1.00 0.27 C ATOM 526 CG LYS A 36 5.511 9.767 8.317 1.00 0.43 C ATOM 527 CD LYS A 36 5.994 8.539 9.090 1.00 0.57 C ATOM 528 CE LYS A 36 5.090 8.330 10.308 1.00 1.74 C ATOM 529 NZ LYS A 36 3.685 8.082 9.877 1.00 3.19 N ATOM 0 H LYS A 36 7.614 10.959 5.095 1.00 0.21 H new ATOM 0 HA LYS A 36 5.112 9.516 5.642 1.00 0.24 H new ATOM 0 HB2 LYS A 36 7.175 9.243 7.032 1.00 0.27 H new ATOM 0 HB3 LYS A 36 7.116 10.942 7.458 1.00 0.27 H new ATOM 0 HG2 LYS A 36 5.424 10.621 8.989 1.00 0.43 H new ATOM 0 HG3 LYS A 36 4.519 9.583 7.905 1.00 0.43 H new ATOM 0 HD2 LYS A 36 5.972 7.658 8.449 1.00 0.57 H new ATOM 0 HD3 LYS A 36 7.028 8.676 9.407 1.00 0.57 H new ATOM 0 HE2 LYS A 36 5.451 7.486 10.896 1.00 1.74 H new ATOM 0 HE3 LYS A 36 5.130 9.208 10.953 1.00 1.74 H new ATOM 0 HZ1 LYS A 36 3.116 7.793 10.698 1.00 3.19 H new ATOM 0 HZ2 LYS A 36 3.288 8.953 9.470 1.00 3.19 H new ATOM 0 HZ3 LYS A 36 3.669 7.327 9.162 1.00 3.19 H new ATOM 543 N MET A 37 4.945 12.576 5.266 1.00 0.12 N ATOM 544 CA MET A 37 4.076 13.783 5.398 1.00 0.16 C ATOM 545 C MET A 37 2.705 13.510 4.769 1.00 0.16 C ATOM 546 O MET A 37 1.705 14.065 5.181 1.00 0.12 O ATOM 547 CB MET A 37 4.741 14.963 4.693 1.00 0.21 C ATOM 548 CG MET A 37 4.012 16.251 5.083 1.00 0.38 C ATOM 549 SD MET A 37 4.601 17.797 4.349 1.00 1.27 S ATOM 550 CE MET A 37 3.209 18.834 4.862 1.00 1.47 C ATOM 0 H MET A 37 5.620 12.601 4.502 1.00 0.12 H new ATOM 0 HA MET A 37 3.941 14.018 6.454 1.00 0.16 H new ATOM 0 HB2 MET A 37 5.792 15.026 4.974 1.00 0.21 H new ATOM 0 HB3 MET A 37 4.707 14.824 3.612 1.00 0.21 H new ATOM 0 HG2 MET A 37 2.960 16.134 4.823 1.00 0.38 H new ATOM 0 HG3 MET A 37 4.063 16.352 6.167 1.00 0.38 H new ATOM 0 HE1 MET A 37 3.365 19.853 4.509 1.00 1.47 H new ATOM 0 HE2 MET A 37 2.286 18.440 4.437 1.00 1.47 H new ATOM 0 HE3 MET A 37 3.137 18.834 5.950 1.00 1.47 H new ATOM 560 N ILE A 38 2.692 12.657 3.780 1.00 0.22 N ATOM 561 CA ILE A 38 1.399 12.321 3.107 1.00 0.22 C ATOM 562 C ILE A 38 0.831 11.024 3.688 1.00 0.32 C ATOM 563 O ILE A 38 -0.184 10.532 3.243 1.00 0.29 O ATOM 564 CB ILE A 38 1.652 12.135 1.608 1.00 0.32 C ATOM 565 CG1 ILE A 38 2.299 13.412 1.023 1.00 0.43 C ATOM 566 CG2 ILE A 38 0.324 11.842 0.898 1.00 0.56 C ATOM 567 CD1 ILE A 38 1.430 14.644 1.326 1.00 1.28 C ATOM 0 H ILE A 38 3.514 12.180 3.409 1.00 0.22 H new ATOM 0 HA ILE A 38 0.685 13.128 3.269 1.00 0.22 H new ATOM 0 HB ILE A 38 2.331 11.296 1.455 1.00 0.32 H new ATOM 0 HG12 ILE A 38 3.294 13.549 1.446 1.00 0.43 H new ATOM 0 HG13 ILE A 38 2.423 13.303 -0.054 1.00 0.43 H new ATOM 0 HG21 ILE A 38 0.503 11.710 -0.169 1.00 0.56 H new ATOM 0 HG22 ILE A 38 -0.115 10.932 1.308 1.00 0.56 H new ATOM 0 HG23 ILE A 38 -0.361 12.676 1.050 1.00 0.56 H new ATOM 0 HD11 ILE A 38 1.901 15.533 0.907 1.00 1.28 H new ATOM 0 HD12 ILE A 38 0.444 14.512 0.881 1.00 1.28 H new ATOM 0 HD13 ILE A 38 1.329 14.761 2.405 1.00 1.28 H new ATOM 579 N LYS A 39 1.504 10.493 4.663 1.00 0.54 N ATOM 580 CA LYS A 39 1.012 9.239 5.288 1.00 0.69 C ATOM 581 C LYS A 39 -0.266 9.473 6.116 1.00 0.62 C ATOM 582 O LYS A 39 -1.186 8.706 6.029 1.00 0.55 O ATOM 583 CB LYS A 39 2.090 8.650 6.184 1.00 0.99 C ATOM 584 CG LYS A 39 2.538 7.305 5.599 1.00 1.90 C ATOM 585 CD LYS A 39 3.578 6.674 6.519 1.00 2.22 C ATOM 586 CE LYS A 39 4.627 5.954 5.672 1.00 3.50 C ATOM 587 NZ LYS A 39 5.542 5.159 6.538 1.00 3.71 N ATOM 0 H LYS A 39 2.368 10.869 5.053 1.00 0.54 H new ATOM 0 HA LYS A 39 0.772 8.545 4.483 1.00 0.69 H new ATOM 0 HB2 LYS A 39 2.937 9.332 6.254 1.00 0.99 H new ATOM 0 HB3 LYS A 39 1.707 8.513 7.195 1.00 0.99 H new ATOM 0 HG2 LYS A 39 1.681 6.640 5.490 1.00 1.90 H new ATOM 0 HG3 LYS A 39 2.957 7.450 4.603 1.00 1.90 H new ATOM 0 HD2 LYS A 39 4.052 7.441 7.132 1.00 2.22 H new ATOM 0 HD3 LYS A 39 3.099 5.971 7.201 1.00 2.22 H new ATOM 0 HE2 LYS A 39 4.135 5.298 4.954 1.00 3.50 H new ATOM 0 HE3 LYS A 39 5.201 6.681 5.098 1.00 3.50 H new ATOM 0 HZ1 LYS A 39 6.436 4.988 6.034 1.00 3.71 H new ATOM 0 HZ2 LYS A 39 5.734 5.684 7.415 1.00 3.71 H new ATOM 0 HZ3 LYS A 39 5.096 4.249 6.770 1.00 3.71 H new ATOM 601 N PRO A 40 -0.306 10.532 6.913 1.00 0.72 N ATOM 602 CA PRO A 40 -1.494 10.802 7.735 1.00 0.83 C ATOM 603 C PRO A 40 -2.756 10.854 6.864 1.00 0.69 C ATOM 604 O PRO A 40 -3.855 10.990 7.364 1.00 0.84 O ATOM 605 CB PRO A 40 -1.218 12.147 8.414 1.00 0.98 C ATOM 606 CG PRO A 40 0.277 12.493 8.142 1.00 1.00 C ATOM 607 CD PRO A 40 0.779 11.521 7.056 1.00 0.82 C ATOM 0 HA PRO A 40 -1.673 10.018 8.471 1.00 0.83 H new ATOM 0 HB2 PRO A 40 -1.872 12.922 8.016 1.00 0.98 H new ATOM 0 HB3 PRO A 40 -1.412 12.086 9.485 1.00 0.98 H new ATOM 0 HG2 PRO A 40 0.379 13.526 7.810 1.00 1.00 H new ATOM 0 HG3 PRO A 40 0.867 12.391 9.053 1.00 1.00 H new ATOM 0 HD2 PRO A 40 0.969 12.040 6.116 1.00 0.82 H new ATOM 0 HD3 PRO A 40 1.714 11.044 7.352 1.00 0.82 H new ATOM 615 N PHE A 41 -2.564 10.745 5.574 1.00 0.46 N ATOM 616 CA PHE A 41 -3.732 10.757 4.646 1.00 0.42 C ATOM 617 C PHE A 41 -4.084 9.315 4.242 1.00 0.32 C ATOM 618 O PHE A 41 -5.237 8.932 4.235 1.00 0.36 O ATOM 619 CB PHE A 41 -3.371 11.572 3.402 1.00 0.33 C ATOM 620 CG PHE A 41 -3.405 13.062 3.747 1.00 0.44 C ATOM 621 CD1 PHE A 41 -2.371 13.641 4.461 1.00 0.48 C ATOM 622 CD2 PHE A 41 -4.471 13.849 3.349 1.00 0.50 C ATOM 623 CE1 PHE A 41 -2.404 14.986 4.771 1.00 0.58 C ATOM 624 CE2 PHE A 41 -4.502 15.193 3.661 1.00 0.59 C ATOM 625 CZ PHE A 41 -3.470 15.760 4.371 1.00 0.64 C ATOM 0 H PHE A 41 -1.653 10.649 5.126 1.00 0.46 H new ATOM 0 HA PHE A 41 -4.593 11.207 5.140 1.00 0.42 H new ATOM 0 HB2 PHE A 41 -2.380 11.292 3.045 1.00 0.33 H new ATOM 0 HB3 PHE A 41 -4.073 11.357 2.596 1.00 0.33 H new ATOM 0 HD1 PHE A 41 -1.533 13.037 4.778 1.00 0.48 H new ATOM 0 HD2 PHE A 41 -5.284 13.409 2.791 1.00 0.50 H new ATOM 0 HE1 PHE A 41 -1.593 15.431 5.328 1.00 0.58 H new ATOM 0 HE2 PHE A 41 -5.338 15.800 3.347 1.00 0.59 H new ATOM 0 HZ PHE A 41 -3.496 16.812 4.615 1.00 0.64 H new ATOM 635 N PHE A 42 -3.073 8.550 3.916 1.00 0.20 N ATOM 636 CA PHE A 42 -3.313 7.123 3.522 1.00 0.11 C ATOM 637 C PHE A 42 -3.371 6.243 4.776 1.00 0.23 C ATOM 638 O PHE A 42 -3.920 5.160 4.763 1.00 0.33 O ATOM 639 CB PHE A 42 -2.158 6.656 2.633 1.00 0.08 C ATOM 640 CG PHE A 42 -2.269 5.146 2.397 1.00 0.07 C ATOM 641 CD1 PHE A 42 -3.138 4.653 1.445 1.00 0.07 C ATOM 642 CD2 PHE A 42 -1.501 4.254 3.132 1.00 0.07 C ATOM 643 CE1 PHE A 42 -3.241 3.297 1.226 1.00 0.08 C ATOM 644 CE2 PHE A 42 -1.609 2.898 2.913 1.00 0.08 C ATOM 645 CZ PHE A 42 -2.479 2.420 1.960 1.00 0.08 C ATOM 0 H PHE A 42 -2.097 8.847 3.905 1.00 0.20 H new ATOM 0 HA PHE A 42 -4.258 7.045 2.984 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -2.182 7.186 1.681 1.00 0.08 H new ATOM 0 HB3 PHE A 42 -1.204 6.891 3.105 1.00 0.08 H new ATOM 0 HD1 PHE A 42 -3.742 5.336 0.867 1.00 0.07 H new ATOM 0 HD2 PHE A 42 -0.815 4.625 3.879 1.00 0.07 H new ATOM 0 HE1 PHE A 42 -3.922 2.922 0.476 1.00 0.08 H new ATOM 0 HE2 PHE A 42 -1.010 2.209 3.490 1.00 0.08 H new ATOM 0 HZ PHE A 42 -2.563 1.357 1.789 1.00 0.08 H new ATOM 655 N HIS A 43 -2.795 6.745 5.826 1.00 0.22 N ATOM 656 CA HIS A 43 -2.767 5.985 7.106 1.00 0.35 C ATOM 657 C HIS A 43 -4.052 6.250 7.902 1.00 0.44 C ATOM 658 O HIS A 43 -4.411 5.493 8.780 1.00 0.52 O ATOM 659 CB HIS A 43 -1.549 6.455 7.912 1.00 0.41 C ATOM 660 CG HIS A 43 -1.243 5.454 9.028 1.00 0.55 C ATOM 661 ND1 HIS A 43 -2.045 4.596 9.463 1.00 0.57 N ATOM 662 CD2 HIS A 43 -0.082 5.280 9.763 1.00 0.67 C ATOM 663 CE1 HIS A 43 -1.522 3.902 10.390 1.00 0.68 C ATOM 664 NE2 HIS A 43 -0.266 4.269 10.650 1.00 0.75 N ATOM 0 H HIS A 43 -2.338 7.656 5.856 1.00 0.22 H new ATOM 0 HA HIS A 43 -2.700 4.915 6.907 1.00 0.35 H new ATOM 0 HB2 HIS A 43 -0.685 6.556 7.255 1.00 0.41 H new ATOM 0 HB3 HIS A 43 -1.742 7.440 8.338 1.00 0.41 H new ATOM 0 HD1 HIS A 43 -2.996 4.470 9.117 1.00 0.57 H new ATOM 0 HD2 HIS A 43 0.824 5.856 9.649 1.00 0.67 H new ATOM 0 HE1 HIS A 43 -2.036 3.106 10.908 1.00 0.68 H new ATOM 672 N SER A 44 -4.716 7.327 7.572 1.00 0.46 N ATOM 673 CA SER A 44 -5.977 7.664 8.299 1.00 0.58 C ATOM 674 C SER A 44 -7.143 6.835 7.757 1.00 0.56 C ATOM 675 O SER A 44 -8.190 6.760 8.367 1.00 0.65 O ATOM 676 CB SER A 44 -6.280 9.150 8.113 1.00 0.64 C ATOM 677 OG SER A 44 -5.526 9.787 9.134 1.00 1.95 O ATOM 0 H SER A 44 -4.444 7.982 6.839 1.00 0.46 H new ATOM 0 HA SER A 44 -5.849 7.438 9.358 1.00 0.58 H new ATOM 0 HB2 SER A 44 -5.983 9.497 7.123 1.00 0.64 H new ATOM 0 HB3 SER A 44 -7.345 9.356 8.217 1.00 0.64 H new ATOM 0 HG SER A 44 -4.810 10.319 8.728 1.00 1.95 H new ATOM 683 N LEU A 45 -6.936 6.232 6.623 1.00 0.45 N ATOM 684 CA LEU A 45 -8.023 5.399 6.029 1.00 0.44 C ATOM 685 C LEU A 45 -8.201 4.118 6.844 1.00 0.43 C ATOM 686 O LEU A 45 -9.128 3.363 6.631 1.00 0.43 O ATOM 687 CB LEU A 45 -7.649 5.041 4.592 1.00 0.37 C ATOM 688 CG LEU A 45 -7.202 6.306 3.857 1.00 0.45 C ATOM 689 CD1 LEU A 45 -6.878 5.956 2.404 1.00 0.27 C ATOM 690 CD2 LEU A 45 -8.336 7.333 3.885 1.00 0.63 C ATOM 0 H LEU A 45 -6.072 6.276 6.083 1.00 0.45 H new ATOM 0 HA LEU A 45 -8.957 5.960 6.040 1.00 0.44 H new ATOM 0 HB2 LEU A 45 -6.849 4.301 4.586 1.00 0.37 H new ATOM 0 HB3 LEU A 45 -8.502 4.593 4.083 1.00 0.37 H new ATOM 0 HG LEU A 45 -6.318 6.720 4.343 1.00 0.45 H new ATOM 0 HD11 LEU A 45 -6.559 6.854 1.876 1.00 0.27 H new ATOM 0 HD12 LEU A 45 -6.078 5.216 2.378 1.00 0.27 H new ATOM 0 HD13 LEU A 45 -7.766 5.548 1.921 1.00 0.27 H new ATOM 0 HD21 LEU A 45 -8.022 8.236 3.362 1.00 0.63 H new ATOM 0 HD22 LEU A 45 -9.216 6.917 3.394 1.00 0.63 H new ATOM 0 HD23 LEU A 45 -8.579 7.578 4.919 1.00 0.63 H new ATOM 702 N SER A 46 -7.303 3.903 7.765 1.00 0.44 N ATOM 703 CA SER A 46 -7.392 2.679 8.611 1.00 0.45 C ATOM 704 C SER A 46 -8.781 2.571 9.250 1.00 0.43 C ATOM 705 O SER A 46 -9.311 1.488 9.411 1.00 0.43 O ATOM 706 CB SER A 46 -6.337 2.760 9.712 1.00 0.44 C ATOM 707 OG SER A 46 -7.077 2.602 10.913 1.00 1.10 O ATOM 0 H SER A 46 -6.515 4.518 7.968 1.00 0.44 H new ATOM 0 HA SER A 46 -7.222 1.801 7.988 1.00 0.45 H new ATOM 0 HB2 SER A 46 -5.585 1.979 9.602 1.00 0.44 H new ATOM 0 HB3 SER A 46 -5.811 3.714 9.691 1.00 0.44 H new ATOM 0 HG SER A 46 -6.468 2.640 11.680 1.00 1.10 H new ATOM 713 N GLU A 47 -9.340 3.700 9.602 1.00 0.46 N ATOM 714 CA GLU A 47 -10.692 3.691 10.242 1.00 0.47 C ATOM 715 C GLU A 47 -11.772 4.091 9.232 1.00 0.40 C ATOM 716 O GLU A 47 -12.845 3.521 9.209 1.00 0.32 O ATOM 717 CB GLU A 47 -10.692 4.682 11.405 1.00 0.65 C ATOM 718 CG GLU A 47 -10.029 4.029 12.619 1.00 0.89 C ATOM 719 CD GLU A 47 -11.030 3.095 13.301 1.00 2.03 C ATOM 720 OE1 GLU A 47 -11.938 3.631 13.915 1.00 2.14 O ATOM 721 OE2 GLU A 47 -10.831 1.899 13.170 1.00 3.06 O ATOM 0 H GLU A 47 -8.923 4.622 9.476 1.00 0.46 H new ATOM 0 HA GLU A 47 -10.910 2.685 10.600 1.00 0.47 H new ATOM 0 HB2 GLU A 47 -10.156 5.589 11.126 1.00 0.65 H new ATOM 0 HB3 GLU A 47 -11.713 4.977 11.647 1.00 0.65 H new ATOM 0 HG2 GLU A 47 -9.146 3.470 12.309 1.00 0.89 H new ATOM 0 HG3 GLU A 47 -9.693 4.794 13.319 1.00 0.89 H new ATOM 728 N LYS A 48 -11.468 5.064 8.417 1.00 0.49 N ATOM 729 CA LYS A 48 -12.473 5.513 7.409 1.00 0.53 C ATOM 730 C LYS A 48 -12.976 4.318 6.594 1.00 0.43 C ATOM 731 O LYS A 48 -14.150 4.002 6.609 1.00 0.42 O ATOM 732 CB LYS A 48 -11.823 6.531 6.473 1.00 0.65 C ATOM 733 CG LYS A 48 -12.809 7.669 6.209 1.00 0.95 C ATOM 734 CD LYS A 48 -12.199 8.636 5.191 1.00 1.65 C ATOM 735 CE LYS A 48 -13.293 9.565 4.663 1.00 1.54 C ATOM 736 NZ LYS A 48 -12.719 10.560 3.714 1.00 2.67 N ATOM 0 H LYS A 48 -10.579 5.563 8.404 1.00 0.49 H new ATOM 0 HA LYS A 48 -13.319 5.969 7.924 1.00 0.53 H new ATOM 0 HB2 LYS A 48 -10.909 6.922 6.919 1.00 0.65 H new ATOM 0 HB3 LYS A 48 -11.541 6.053 5.535 1.00 0.65 H new ATOM 0 HG2 LYS A 48 -13.751 7.270 5.831 1.00 0.95 H new ATOM 0 HG3 LYS A 48 -13.035 8.194 7.137 1.00 0.95 H new ATOM 0 HD2 LYS A 48 -11.404 9.218 5.656 1.00 1.65 H new ATOM 0 HD3 LYS A 48 -11.748 8.081 4.368 1.00 1.65 H new ATOM 0 HE2 LYS A 48 -14.065 8.980 4.163 1.00 1.54 H new ATOM 0 HE3 LYS A 48 -13.773 10.081 5.495 1.00 1.54 H new ATOM 0 HZ1 LYS A 48 -13.475 11.183 3.365 1.00 2.67 H new ATOM 0 HZ2 LYS A 48 -11.999 11.130 4.202 1.00 2.67 H new ATOM 0 HZ3 LYS A 48 -12.282 10.063 2.912 1.00 2.67 H new ATOM 750 N TYR A 49 -12.075 3.680 5.903 1.00 0.44 N ATOM 751 CA TYR A 49 -12.477 2.501 5.079 1.00 0.36 C ATOM 752 C TYR A 49 -12.207 1.203 5.848 1.00 0.26 C ATOM 753 O TYR A 49 -11.087 0.735 5.906 1.00 0.27 O ATOM 754 CB TYR A 49 -11.665 2.503 3.788 1.00 0.35 C ATOM 755 CG TYR A 49 -12.259 3.525 2.813 1.00 0.52 C ATOM 756 CD1 TYR A 49 -13.368 3.209 2.055 1.00 0.60 C ATOM 757 CD2 TYR A 49 -11.691 4.775 2.680 1.00 0.61 C ATOM 758 CE1 TYR A 49 -13.902 4.131 1.176 1.00 0.76 C ATOM 759 CE2 TYR A 49 -12.224 5.696 1.800 1.00 0.76 C ATOM 760 CZ TYR A 49 -13.333 5.381 1.042 1.00 0.83 C ATOM 761 OH TYR A 49 -13.865 6.302 0.162 1.00 0.98 O ATOM 0 H TYR A 49 -11.084 3.919 5.871 1.00 0.44 H new ATOM 0 HA TYR A 49 -13.542 2.562 4.854 1.00 0.36 H new ATOM 0 HB2 TYR A 49 -10.625 2.749 4.000 1.00 0.35 H new ATOM 0 HB3 TYR A 49 -11.672 1.510 3.340 1.00 0.35 H new ATOM 0 HD1 TYR A 49 -13.822 2.234 2.150 1.00 0.60 H new ATOM 0 HD2 TYR A 49 -10.823 5.035 3.268 1.00 0.61 H new ATOM 0 HE1 TYR A 49 -14.771 3.872 0.589 1.00 0.76 H new ATOM 0 HE2 TYR A 49 -11.769 6.671 1.704 1.00 0.76 H new ATOM 0 HH TYR A 49 -13.340 7.129 0.197 1.00 0.98 H new ATOM 771 N SER A 50 -13.240 0.649 6.424 1.00 0.16 N ATOM 772 CA SER A 50 -13.057 -0.617 7.194 1.00 0.10 C ATOM 773 C SER A 50 -13.333 -1.828 6.299 1.00 0.09 C ATOM 774 O SER A 50 -13.099 -2.956 6.684 1.00 0.16 O ATOM 775 CB SER A 50 -14.024 -0.626 8.376 1.00 0.14 C ATOM 776 OG SER A 50 -15.307 -0.720 7.776 1.00 0.11 O ATOM 0 H SER A 50 -14.193 1.012 6.396 1.00 0.16 H new ATOM 0 HA SER A 50 -12.029 -0.673 7.552 1.00 0.10 H new ATOM 0 HB2 SER A 50 -13.833 -1.468 9.041 1.00 0.14 H new ATOM 0 HB3 SER A 50 -13.930 0.280 8.975 1.00 0.14 H new ATOM 0 HG SER A 50 -15.994 -0.734 8.474 1.00 0.11 H new ATOM 782 N ASN A 51 -13.825 -1.566 5.121 1.00 0.14 N ATOM 783 CA ASN A 51 -14.123 -2.690 4.185 1.00 0.24 C ATOM 784 C ASN A 51 -12.950 -2.897 3.222 1.00 0.28 C ATOM 785 O ASN A 51 -13.091 -3.531 2.195 1.00 0.58 O ATOM 786 CB ASN A 51 -15.382 -2.353 3.388 1.00 0.32 C ATOM 787 CG ASN A 51 -15.837 -3.590 2.612 1.00 0.44 C ATOM 788 OD1 ASN A 51 -16.367 -4.528 3.171 1.00 0.77 O ATOM 789 ND2 ASN A 51 -15.648 -3.631 1.320 1.00 1.49 N ATOM 0 H ASN A 51 -14.033 -0.633 4.766 1.00 0.14 H new ATOM 0 HA ASN A 51 -14.277 -3.605 4.756 1.00 0.24 H new ATOM 0 HB2 ASN A 51 -16.173 -2.020 4.060 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.181 -1.532 2.700 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -15.945 -4.448 0.787 1.00 1.49 H new ATOM 0 HD22 ASN A 51 -15.203 -2.846 0.844 1.00 1.49 H new ATOM 796 N VAL A 52 -11.816 -2.352 3.577 1.00 0.08 N ATOM 797 CA VAL A 52 -10.617 -2.498 2.697 1.00 0.07 C ATOM 798 C VAL A 52 -9.361 -2.715 3.549 1.00 0.07 C ATOM 799 O VAL A 52 -9.281 -2.234 4.662 1.00 0.09 O ATOM 800 CB VAL A 52 -10.447 -1.220 1.870 1.00 0.12 C ATOM 801 CG1 VAL A 52 -9.219 -1.365 0.969 1.00 0.30 C ATOM 802 CG2 VAL A 52 -11.692 -1.002 1.003 1.00 0.14 C ATOM 0 H VAL A 52 -11.668 -1.816 4.432 1.00 0.08 H new ATOM 0 HA VAL A 52 -10.756 -3.357 2.040 1.00 0.07 H new ATOM 0 HB VAL A 52 -10.316 -0.367 2.536 1.00 0.12 H new ATOM 0 HG11 VAL A 52 -9.093 -0.458 0.378 1.00 0.30 H new ATOM 0 HG12 VAL A 52 -8.333 -1.524 1.584 1.00 0.30 H new ATOM 0 HG13 VAL A 52 -9.355 -2.217 0.303 1.00 0.30 H new ATOM 0 HG21 VAL A 52 -11.571 -0.093 0.415 1.00 0.14 H new ATOM 0 HG22 VAL A 52 -11.823 -1.852 0.334 1.00 0.14 H new ATOM 0 HG23 VAL A 52 -12.569 -0.906 1.643 1.00 0.14 H new ATOM 812 N ILE A 53 -8.406 -3.433 3.006 1.00 0.06 N ATOM 813 CA ILE A 53 -7.145 -3.681 3.771 1.00 0.08 C ATOM 814 C ILE A 53 -6.036 -2.778 3.227 1.00 0.12 C ATOM 815 O ILE A 53 -5.805 -2.722 2.032 1.00 0.32 O ATOM 816 CB ILE A 53 -6.737 -5.158 3.635 1.00 0.07 C ATOM 817 CG1 ILE A 53 -7.935 -6.060 4.000 1.00 0.25 C ATOM 818 CG2 ILE A 53 -5.593 -5.458 4.609 1.00 0.27 C ATOM 819 CD1 ILE A 53 -8.999 -6.019 2.892 1.00 1.44 C ATOM 0 H ILE A 53 -8.445 -3.853 2.077 1.00 0.06 H new ATOM 0 HA ILE A 53 -7.307 -3.456 4.825 1.00 0.08 H new ATOM 0 HB ILE A 53 -6.422 -5.350 2.609 1.00 0.07 H new ATOM 0 HG12 ILE A 53 -7.594 -7.085 4.147 1.00 0.25 H new ATOM 0 HG13 ILE A 53 -8.371 -5.731 4.943 1.00 0.25 H new ATOM 0 HG21 ILE A 53 -5.301 -6.504 4.516 1.00 0.27 H new ATOM 0 HG22 ILE A 53 -4.740 -4.821 4.376 1.00 0.27 H new ATOM 0 HG23 ILE A 53 -5.923 -5.263 5.629 1.00 0.27 H new ATOM 0 HD11 ILE A 53 -9.836 -6.661 3.167 1.00 1.44 H new ATOM 0 HD12 ILE A 53 -9.353 -4.996 2.765 1.00 1.44 H new ATOM 0 HD13 ILE A 53 -8.564 -6.371 1.957 1.00 1.44 H new ATOM 831 N PHE A 54 -5.373 -2.092 4.123 1.00 0.13 N ATOM 832 CA PHE A 54 -4.286 -1.160 3.694 1.00 0.15 C ATOM 833 C PHE A 54 -2.930 -1.617 4.233 1.00 0.17 C ATOM 834 O PHE A 54 -2.780 -1.866 5.410 1.00 0.25 O ATOM 835 CB PHE A 54 -4.600 0.228 4.244 1.00 0.14 C ATOM 836 CG PHE A 54 -5.946 0.684 3.698 1.00 0.10 C ATOM 837 CD1 PHE A 54 -6.022 1.378 2.507 1.00 0.17 C ATOM 838 CD2 PHE A 54 -7.108 0.405 4.391 1.00 0.04 C ATOM 839 CE1 PHE A 54 -7.243 1.788 2.016 1.00 0.19 C ATOM 840 CE2 PHE A 54 -8.330 0.815 3.898 1.00 0.10 C ATOM 841 CZ PHE A 54 -8.395 1.506 2.710 1.00 0.16 C ATOM 0 H PHE A 54 -5.536 -2.136 5.129 1.00 0.13 H new ATOM 0 HA PHE A 54 -4.236 -1.146 2.605 1.00 0.15 H new ATOM 0 HB2 PHE A 54 -4.624 0.205 5.333 1.00 0.14 H new ATOM 0 HB3 PHE A 54 -3.819 0.932 3.957 1.00 0.14 H new ATOM 0 HD1 PHE A 54 -5.120 1.601 1.957 1.00 0.17 H new ATOM 0 HD2 PHE A 54 -7.060 -0.137 5.324 1.00 0.04 H new ATOM 0 HE1 PHE A 54 -7.294 2.332 1.084 1.00 0.19 H new ATOM 0 HE2 PHE A 54 -9.235 0.594 4.444 1.00 0.10 H new ATOM 0 HZ PHE A 54 -9.351 1.827 2.323 1.00 0.16 H new ATOM 851 N LEU A 55 -1.973 -1.728 3.347 1.00 0.23 N ATOM 852 CA LEU A 55 -0.607 -2.145 3.784 1.00 0.26 C ATOM 853 C LEU A 55 0.331 -0.939 3.719 1.00 0.17 C ATOM 854 O LEU A 55 -0.024 0.108 3.218 1.00 0.27 O ATOM 855 CB LEU A 55 -0.066 -3.227 2.850 1.00 0.38 C ATOM 856 CG LEU A 55 -0.744 -4.573 3.133 1.00 0.37 C ATOM 857 CD1 LEU A 55 -2.251 -4.459 2.902 1.00 0.79 C ATOM 858 CD2 LEU A 55 -0.182 -5.619 2.170 1.00 0.53 C ATOM 0 H LEU A 55 -2.077 -1.550 2.348 1.00 0.23 H new ATOM 0 HA LEU A 55 -0.664 -2.532 4.801 1.00 0.26 H new ATOM 0 HB2 LEU A 55 -0.237 -2.938 1.813 1.00 0.38 H new ATOM 0 HB3 LEU A 55 1.012 -3.322 2.981 1.00 0.38 H new ATOM 0 HG LEU A 55 -0.555 -4.860 4.167 1.00 0.37 H new ATOM 0 HD11 LEU A 55 -2.724 -5.420 3.105 1.00 0.79 H new ATOM 0 HD12 LEU A 55 -2.665 -3.702 3.568 1.00 0.79 H new ATOM 0 HD13 LEU A 55 -2.440 -4.174 1.867 1.00 0.79 H new ATOM 0 HD21 LEU A 55 -0.656 -6.582 2.361 1.00 0.53 H new ATOM 0 HD22 LEU A 55 -0.382 -5.313 1.143 1.00 0.53 H new ATOM 0 HD23 LEU A 55 0.894 -5.709 2.318 1.00 0.53 H new ATOM 870 N GLU A 56 1.512 -1.126 4.206 1.00 0.31 N ATOM 871 CA GLU A 56 2.506 -0.011 4.192 1.00 0.22 C ATOM 872 C GLU A 56 3.916 -0.600 4.147 1.00 0.18 C ATOM 873 O GLU A 56 4.385 -1.153 5.123 1.00 0.17 O ATOM 874 CB GLU A 56 2.340 0.830 5.457 1.00 0.26 C ATOM 875 CG GLU A 56 2.963 2.209 5.225 1.00 0.29 C ATOM 876 CD GLU A 56 2.921 3.010 6.528 1.00 0.64 C ATOM 877 OE1 GLU A 56 1.871 3.578 6.780 1.00 1.85 O ATOM 878 OE2 GLU A 56 3.942 3.010 7.196 1.00 0.74 O ATOM 0 H GLU A 56 1.843 -1.999 4.616 1.00 0.31 H new ATOM 0 HA GLU A 56 2.345 0.619 3.317 1.00 0.22 H new ATOM 0 HB2 GLU A 56 1.284 0.931 5.706 1.00 0.26 H new ATOM 0 HB3 GLU A 56 2.821 0.337 6.302 1.00 0.26 H new ATOM 0 HG2 GLU A 56 3.993 2.103 4.883 1.00 0.29 H new ATOM 0 HG3 GLU A 56 2.420 2.738 4.442 1.00 0.29 H new ATOM 885 N VAL A 57 4.565 -0.467 3.019 1.00 0.17 N ATOM 886 CA VAL A 57 5.942 -1.045 2.897 1.00 0.14 C ATOM 887 C VAL A 57 7.009 0.041 3.031 1.00 0.15 C ATOM 888 O VAL A 57 6.906 1.099 2.441 1.00 0.20 O ATOM 889 CB VAL A 57 6.081 -1.719 1.535 1.00 0.13 C ATOM 890 CG1 VAL A 57 7.548 -2.093 1.313 1.00 0.22 C ATOM 891 CG2 VAL A 57 5.229 -2.987 1.511 1.00 0.17 C ATOM 0 H VAL A 57 4.211 0.008 2.189 1.00 0.17 H new ATOM 0 HA VAL A 57 6.086 -1.770 3.698 1.00 0.14 H new ATOM 0 HB VAL A 57 5.748 -1.040 0.750 1.00 0.13 H new ATOM 0 HG11 VAL A 57 7.658 -2.576 0.342 1.00 0.22 H new ATOM 0 HG12 VAL A 57 8.161 -1.192 1.342 1.00 0.22 H new ATOM 0 HG13 VAL A 57 7.872 -2.778 2.097 1.00 0.22 H new ATOM 0 HG21 VAL A 57 5.325 -3.472 0.540 1.00 0.17 H new ATOM 0 HG22 VAL A 57 5.568 -3.668 2.292 1.00 0.17 H new ATOM 0 HG23 VAL A 57 4.185 -2.727 1.685 1.00 0.17 H new ATOM 901 N ASP A 58 8.015 -0.253 3.811 1.00 0.14 N ATOM 902 CA ASP A 58 9.116 0.730 3.999 1.00 0.17 C ATOM 903 C ASP A 58 10.300 0.358 3.099 1.00 0.10 C ATOM 904 O ASP A 58 10.926 -0.666 3.286 1.00 0.13 O ATOM 905 CB ASP A 58 9.558 0.706 5.460 1.00 0.25 C ATOM 906 CG ASP A 58 10.515 1.872 5.722 1.00 0.29 C ATOM 907 OD1 ASP A 58 10.597 2.712 4.842 1.00 1.20 O ATOM 908 OD2 ASP A 58 11.109 1.854 6.787 1.00 0.85 O ATOM 0 H ASP A 58 8.120 -1.129 4.323 1.00 0.14 H new ATOM 0 HA ASP A 58 8.766 1.728 3.734 1.00 0.17 H new ATOM 0 HB2 ASP A 58 8.690 0.780 6.115 1.00 0.25 H new ATOM 0 HB3 ASP A 58 10.049 -0.240 5.687 1.00 0.25 H new ATOM 913 N VAL A 59 10.579 1.196 2.141 1.00 0.06 N ATOM 914 CA VAL A 59 11.714 0.903 1.214 1.00 0.06 C ATOM 915 C VAL A 59 13.058 1.108 1.926 1.00 0.14 C ATOM 916 O VAL A 59 14.073 1.312 1.288 1.00 0.13 O ATOM 917 CB VAL A 59 11.630 1.843 0.014 1.00 0.06 C ATOM 918 CG1 VAL A 59 10.343 1.555 -0.762 1.00 0.14 C ATOM 919 CG2 VAL A 59 11.608 3.293 0.508 1.00 0.07 C ATOM 0 H VAL A 59 10.077 2.065 1.958 1.00 0.06 H new ATOM 0 HA VAL A 59 11.647 -0.135 0.887 1.00 0.06 H new ATOM 0 HB VAL A 59 12.493 1.689 -0.634 1.00 0.06 H new ATOM 0 HG11 VAL A 59 10.278 2.224 -1.620 1.00 0.14 H new ATOM 0 HG12 VAL A 59 10.350 0.521 -1.107 1.00 0.14 H new ATOM 0 HG13 VAL A 59 9.483 1.715 -0.112 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.548 3.968 -0.346 1.00 0.07 H new ATOM 0 HG22 VAL A 59 10.742 3.445 1.152 1.00 0.07 H new ATOM 0 HG23 VAL A 59 12.519 3.500 1.070 1.00 0.07 H new ATOM 929 N ASP A 60 13.038 1.046 3.231 1.00 0.24 N ATOM 930 CA ASP A 60 14.305 1.237 4.001 1.00 0.34 C ATOM 931 C ASP A 60 14.855 -0.115 4.463 1.00 0.27 C ATOM 932 O ASP A 60 15.974 -0.471 4.149 1.00 0.37 O ATOM 933 CB ASP A 60 14.016 2.108 5.220 1.00 0.41 C ATOM 934 CG ASP A 60 15.318 2.744 5.710 1.00 0.58 C ATOM 935 OD1 ASP A 60 15.658 3.777 5.157 1.00 1.22 O ATOM 936 OD2 ASP A 60 15.898 2.162 6.612 1.00 0.75 O ATOM 0 H ASP A 60 12.206 0.873 3.795 1.00 0.24 H new ATOM 0 HA ASP A 60 15.045 1.718 3.361 1.00 0.34 H new ATOM 0 HB2 ASP A 60 13.294 2.883 4.964 1.00 0.41 H new ATOM 0 HB3 ASP A 60 13.571 1.507 6.013 1.00 0.41 H new ATOM 941 N ASP A 61 14.052 -0.837 5.200 1.00 0.24 N ATOM 942 CA ASP A 61 14.501 -2.173 5.701 1.00 0.33 C ATOM 943 C ASP A 61 13.798 -3.291 4.927 1.00 0.28 C ATOM 944 O ASP A 61 14.182 -4.441 5.011 1.00 0.37 O ATOM 945 CB ASP A 61 14.155 -2.289 7.185 1.00 0.52 C ATOM 946 CG ASP A 61 14.673 -3.624 7.723 1.00 0.89 C ATOM 947 OD1 ASP A 61 15.870 -3.827 7.601 1.00 1.81 O ATOM 948 OD2 ASP A 61 13.844 -4.365 8.224 1.00 0.48 O ATOM 0 H ASP A 61 13.109 -0.563 5.476 1.00 0.24 H new ATOM 0 HA ASP A 61 15.577 -2.268 5.558 1.00 0.33 H new ATOM 0 HB2 ASP A 61 14.600 -1.463 7.740 1.00 0.52 H new ATOM 0 HB3 ASP A 61 13.076 -2.222 7.325 1.00 0.52 H new ATOM 953 N CYS A 62 12.784 -2.924 4.186 1.00 0.26 N ATOM 954 CA CYS A 62 12.031 -3.949 3.397 1.00 0.30 C ATOM 955 C CYS A 62 12.346 -3.808 1.904 1.00 0.25 C ATOM 956 O CYS A 62 11.536 -4.144 1.063 1.00 0.25 O ATOM 957 CB CYS A 62 10.534 -3.743 3.621 1.00 0.38 C ATOM 958 SG CYS A 62 10.004 -3.247 5.279 1.00 0.47 S ATOM 0 H CYS A 62 12.446 -1.966 4.092 1.00 0.26 H new ATOM 0 HA CYS A 62 12.327 -4.945 3.725 1.00 0.30 H new ATOM 0 HB2 CYS A 62 10.188 -2.987 2.916 1.00 0.38 H new ATOM 0 HB3 CYS A 62 10.024 -4.672 3.368 1.00 0.38 H new ATOM 0 HG CYS A 62 8.711 -3.113 5.299 1.00 0.47 H new ATOM 964 N GLN A 63 13.517 -3.314 1.609 1.00 0.28 N ATOM 965 CA GLN A 63 13.899 -3.147 0.181 1.00 0.23 C ATOM 966 C GLN A 63 13.719 -4.466 -0.572 1.00 0.27 C ATOM 967 O GLN A 63 13.768 -4.505 -1.786 1.00 0.26 O ATOM 968 CB GLN A 63 15.362 -2.697 0.093 1.00 0.25 C ATOM 969 CG GLN A 63 16.259 -3.715 0.808 1.00 1.47 C ATOM 970 CD GLN A 63 16.521 -4.905 -0.118 1.00 2.84 C ATOM 971 OE1 GLN A 63 16.110 -6.016 0.149 1.00 3.99 O ATOM 972 NE2 GLN A 63 17.200 -4.715 -1.217 1.00 3.26 N ATOM 0 H GLN A 63 14.219 -3.022 2.289 1.00 0.28 H new ATOM 0 HA GLN A 63 13.257 -2.392 -0.273 1.00 0.23 H new ATOM 0 HB2 GLN A 63 15.662 -2.603 -0.951 1.00 0.25 H new ATOM 0 HB3 GLN A 63 15.478 -1.713 0.547 1.00 0.25 H new ATOM 0 HG2 GLN A 63 17.202 -3.248 1.093 1.00 1.47 H new ATOM 0 HG3 GLN A 63 15.781 -4.054 1.727 1.00 1.47 H new ATOM 0 HE21 GLN A 63 17.548 -3.784 -1.447 1.00 3.26 H new ATOM 0 HE22 GLN A 63 17.382 -5.497 -1.845 1.00 3.26 H new ATOM 981 N ASP A 64 13.512 -5.519 0.166 1.00 0.35 N ATOM 982 CA ASP A 64 13.325 -6.841 -0.485 1.00 0.42 C ATOM 983 C ASP A 64 11.966 -6.896 -1.178 1.00 0.39 C ATOM 984 O ASP A 64 11.825 -7.463 -2.244 1.00 0.52 O ATOM 985 CB ASP A 64 13.404 -7.939 0.575 1.00 0.52 C ATOM 986 CG ASP A 64 12.741 -7.446 1.863 1.00 0.62 C ATOM 987 OD1 ASP A 64 11.678 -6.862 1.736 1.00 0.91 O ATOM 988 OD2 ASP A 64 13.334 -7.683 2.902 1.00 1.18 O ATOM 0 H ASP A 64 13.465 -5.521 1.185 1.00 0.35 H new ATOM 0 HA ASP A 64 14.107 -6.990 -1.229 1.00 0.42 H new ATOM 0 HB2 ASP A 64 12.907 -8.841 0.219 1.00 0.52 H new ATOM 0 HB3 ASP A 64 14.444 -8.203 0.766 1.00 0.52 H new ATOM 993 N VAL A 65 10.998 -6.302 -0.553 1.00 0.33 N ATOM 994 CA VAL A 65 9.637 -6.293 -1.141 1.00 0.28 C ATOM 995 C VAL A 65 9.529 -5.206 -2.208 1.00 0.25 C ATOM 996 O VAL A 65 8.804 -5.344 -3.172 1.00 0.32 O ATOM 997 CB VAL A 65 8.626 -6.033 -0.044 1.00 0.24 C ATOM 998 CG1 VAL A 65 7.218 -6.317 -0.574 1.00 0.19 C ATOM 999 CG2 VAL A 65 8.917 -6.959 1.139 1.00 0.25 C ATOM 0 H VAL A 65 11.089 -5.821 0.342 1.00 0.33 H new ATOM 0 HA VAL A 65 9.439 -7.259 -1.606 1.00 0.28 H new ATOM 0 HB VAL A 65 8.693 -4.994 0.277 1.00 0.24 H new ATOM 0 HG11 VAL A 65 6.488 -6.131 0.214 1.00 0.19 H new ATOM 0 HG12 VAL A 65 7.010 -5.665 -1.423 1.00 0.19 H new ATOM 0 HG13 VAL A 65 7.152 -7.358 -0.891 1.00 0.19 H new ATOM 0 HG21 VAL A 65 8.192 -6.776 1.932 1.00 0.25 H new ATOM 0 HG22 VAL A 65 8.845 -7.997 0.815 1.00 0.25 H new ATOM 0 HG23 VAL A 65 9.922 -6.765 1.515 1.00 0.25 H new ATOM 1009 N ALA A 66 10.248 -4.147 -2.005 1.00 0.19 N ATOM 1010 CA ALA A 66 10.213 -3.040 -2.994 1.00 0.15 C ATOM 1011 C ALA A 66 10.917 -3.472 -4.280 1.00 0.20 C ATOM 1012 O ALA A 66 10.584 -3.022 -5.358 1.00 0.42 O ATOM 1013 CB ALA A 66 10.918 -1.819 -2.408 1.00 0.14 C ATOM 0 H ALA A 66 10.857 -3.997 -1.201 1.00 0.19 H new ATOM 0 HA ALA A 66 9.177 -2.790 -3.222 1.00 0.15 H new ATOM 0 HB1 ALA A 66 10.895 -1.004 -3.131 1.00 0.14 H new ATOM 0 HB2 ALA A 66 10.410 -1.509 -1.495 1.00 0.14 H new ATOM 0 HB3 ALA A 66 11.953 -2.072 -2.179 1.00 0.14 H new ATOM 1019 N SER A 67 11.874 -4.336 -4.132 1.00 0.28 N ATOM 1020 CA SER A 67 12.617 -4.821 -5.322 1.00 0.31 C ATOM 1021 C SER A 67 11.794 -5.877 -6.061 1.00 0.30 C ATOM 1022 O SER A 67 12.103 -6.242 -7.178 1.00 0.33 O ATOM 1023 CB SER A 67 13.944 -5.428 -4.873 1.00 0.35 C ATOM 1024 OG SER A 67 14.766 -4.304 -4.595 1.00 1.22 O ATOM 0 H SER A 67 12.175 -4.728 -3.240 1.00 0.28 H new ATOM 0 HA SER A 67 12.803 -3.984 -5.995 1.00 0.31 H new ATOM 0 HB2 SER A 67 13.816 -6.056 -3.991 1.00 0.35 H new ATOM 0 HB3 SER A 67 14.378 -6.056 -5.651 1.00 0.35 H new ATOM 0 HG SER A 67 14.666 -4.051 -3.654 1.00 1.22 H new ATOM 1030 N GLU A 68 10.763 -6.346 -5.417 1.00 0.26 N ATOM 1031 CA GLU A 68 9.906 -7.371 -6.057 1.00 0.25 C ATOM 1032 C GLU A 68 8.932 -6.695 -7.015 1.00 0.24 C ATOM 1033 O GLU A 68 8.581 -7.236 -8.045 1.00 0.22 O ATOM 1034 CB GLU A 68 9.137 -8.128 -4.970 1.00 0.27 C ATOM 1035 CG GLU A 68 7.984 -8.912 -5.602 1.00 0.76 C ATOM 1036 CD GLU A 68 8.482 -9.637 -6.855 1.00 1.25 C ATOM 1037 OE1 GLU A 68 9.491 -10.311 -6.723 1.00 1.92 O ATOM 1038 OE2 GLU A 68 7.825 -9.477 -7.870 1.00 2.10 O ATOM 0 H GLU A 68 10.480 -6.063 -4.479 1.00 0.26 H new ATOM 0 HA GLU A 68 10.522 -8.073 -6.619 1.00 0.25 H new ATOM 0 HB2 GLU A 68 9.807 -8.809 -4.445 1.00 0.27 H new ATOM 0 HB3 GLU A 68 8.750 -7.427 -4.230 1.00 0.27 H new ATOM 0 HG2 GLU A 68 7.586 -9.632 -4.887 1.00 0.76 H new ATOM 0 HG3 GLU A 68 7.169 -8.235 -5.861 1.00 0.76 H new ATOM 1045 N CYS A 69 8.518 -5.521 -6.648 1.00 0.24 N ATOM 1046 CA CYS A 69 7.574 -4.765 -7.518 1.00 0.23 C ATOM 1047 C CYS A 69 8.366 -3.949 -8.542 1.00 0.25 C ATOM 1048 O CYS A 69 7.802 -3.310 -9.407 1.00 0.28 O ATOM 1049 CB CYS A 69 6.735 -3.828 -6.650 1.00 0.19 C ATOM 1050 SG CYS A 69 5.409 -4.570 -5.668 1.00 0.16 S ATOM 0 H CYS A 69 8.789 -5.049 -5.785 1.00 0.24 H new ATOM 0 HA CYS A 69 6.919 -5.460 -8.043 1.00 0.23 H new ATOM 0 HB2 CYS A 69 7.408 -3.307 -5.969 1.00 0.19 H new ATOM 0 HB3 CYS A 69 6.292 -3.073 -7.300 1.00 0.19 H new ATOM 0 HG CYS A 69 5.311 -3.948 -4.531 1.00 0.16 H new ATOM 1056 N GLU A 70 9.665 -3.992 -8.412 1.00 0.25 N ATOM 1057 CA GLU A 70 10.535 -3.235 -9.360 1.00 0.27 C ATOM 1058 C GLU A 70 10.237 -1.736 -9.287 1.00 0.26 C ATOM 1059 O GLU A 70 10.132 -1.074 -10.300 1.00 0.27 O ATOM 1060 CB GLU A 70 10.290 -3.736 -10.783 1.00 0.28 C ATOM 1061 CG GLU A 70 10.211 -5.265 -10.772 1.00 1.67 C ATOM 1062 CD GLU A 70 10.854 -5.814 -12.047 1.00 1.68 C ATOM 1063 OE1 GLU A 70 10.119 -5.948 -13.010 1.00 2.11 O ATOM 1064 OE2 GLU A 70 12.047 -6.068 -11.985 1.00 1.86 O ATOM 0 H GLU A 70 10.161 -4.517 -7.692 1.00 0.25 H new ATOM 0 HA GLU A 70 11.577 -3.396 -9.084 1.00 0.27 H new ATOM 0 HB2 GLU A 70 9.364 -3.315 -11.175 1.00 0.28 H new ATOM 0 HB3 GLU A 70 11.094 -3.406 -11.441 1.00 0.28 H new ATOM 0 HG2 GLU A 70 10.722 -5.661 -9.894 1.00 1.67 H new ATOM 0 HG3 GLU A 70 9.171 -5.586 -10.708 1.00 1.67 H new ATOM 1071 N VAL A 71 10.110 -1.231 -8.088 1.00 0.26 N ATOM 1072 CA VAL A 71 9.832 0.231 -7.939 1.00 0.26 C ATOM 1073 C VAL A 71 11.138 0.989 -7.693 1.00 0.58 C ATOM 1074 O VAL A 71 12.077 0.451 -7.141 1.00 0.89 O ATOM 1075 CB VAL A 71 8.888 0.465 -6.758 1.00 0.37 C ATOM 1076 CG1 VAL A 71 7.835 1.498 -7.152 1.00 0.51 C ATOM 1077 CG2 VAL A 71 8.187 -0.842 -6.389 1.00 0.52 C ATOM 0 H VAL A 71 10.185 -1.756 -7.217 1.00 0.26 H new ATOM 0 HA VAL A 71 9.367 0.593 -8.856 1.00 0.26 H new ATOM 0 HB VAL A 71 9.463 0.824 -5.904 1.00 0.37 H new ATOM 0 HG11 VAL A 71 7.160 1.668 -6.313 1.00 0.51 H new ATOM 0 HG12 VAL A 71 8.326 2.434 -7.418 1.00 0.51 H new ATOM 0 HG13 VAL A 71 7.267 1.130 -8.006 1.00 0.51 H new ATOM 0 HG21 VAL A 71 7.516 -0.670 -5.547 1.00 0.52 H new ATOM 0 HG22 VAL A 71 7.613 -1.201 -7.243 1.00 0.52 H new ATOM 0 HG23 VAL A 71 8.931 -1.589 -6.113 1.00 0.52 H new ATOM 1087 N LYS A 72 11.167 2.224 -8.107 1.00 0.62 N ATOM 1088 CA LYS A 72 12.399 3.038 -7.902 1.00 0.96 C ATOM 1089 C LYS A 72 12.015 4.485 -7.586 1.00 0.79 C ATOM 1090 O LYS A 72 12.806 5.393 -7.749 1.00 0.97 O ATOM 1091 CB LYS A 72 13.248 2.996 -9.171 1.00 1.36 C ATOM 1092 CG LYS A 72 14.624 2.421 -8.832 1.00 1.96 C ATOM 1093 CD LYS A 72 15.497 2.427 -10.089 1.00 1.90 C ATOM 1094 CE LYS A 72 16.837 1.759 -9.771 1.00 2.69 C ATOM 1095 NZ LYS A 72 17.696 2.669 -8.962 1.00 3.71 N ATOM 0 H LYS A 72 10.398 2.703 -8.575 1.00 0.62 H new ATOM 0 HA LYS A 72 12.970 2.630 -7.068 1.00 0.96 H new ATOM 0 HB2 LYS A 72 12.761 2.383 -9.930 1.00 1.36 H new ATOM 0 HB3 LYS A 72 13.351 3.998 -9.588 1.00 1.36 H new ATOM 0 HG2 LYS A 72 15.094 3.012 -8.046 1.00 1.96 H new ATOM 0 HG3 LYS A 72 14.523 1.405 -8.450 1.00 1.96 H new ATOM 0 HD2 LYS A 72 14.995 1.896 -10.898 1.00 1.90 H new ATOM 0 HD3 LYS A 72 15.658 3.450 -10.430 1.00 1.90 H new ATOM 0 HE2 LYS A 72 16.667 0.831 -9.226 1.00 2.69 H new ATOM 0 HE3 LYS A 72 17.348 1.496 -10.697 1.00 2.69 H new ATOM 0 HZ1 LYS A 72 18.637 2.242 -8.842 1.00 3.71 H new ATOM 0 HZ2 LYS A 72 17.790 3.583 -9.450 1.00 3.71 H new ATOM 0 HZ3 LYS A 72 17.262 2.818 -8.029 1.00 3.71 H new ATOM 1109 N CYS A 73 10.803 4.666 -7.140 1.00 0.46 N ATOM 1110 CA CYS A 73 10.340 6.043 -6.807 1.00 0.31 C ATOM 1111 C CYS A 73 9.189 5.980 -5.810 1.00 0.27 C ATOM 1112 O CYS A 73 8.272 5.197 -5.965 1.00 0.41 O ATOM 1113 CB CYS A 73 9.876 6.741 -8.084 1.00 0.41 C ATOM 1114 SG CYS A 73 9.021 5.732 -9.320 1.00 0.65 S ATOM 0 H CYS A 73 10.117 3.926 -6.992 1.00 0.46 H new ATOM 0 HA CYS A 73 11.163 6.602 -6.361 1.00 0.31 H new ATOM 0 HB2 CYS A 73 9.214 7.558 -7.800 1.00 0.41 H new ATOM 0 HB3 CYS A 73 10.749 7.189 -8.560 1.00 0.41 H new ATOM 0 HG CYS A 73 8.694 6.475 -10.336 1.00 0.65 H new ATOM 1120 N THR A 74 9.269 6.812 -4.806 1.00 0.11 N ATOM 1121 CA THR A 74 8.201 6.832 -3.765 1.00 0.10 C ATOM 1122 C THR A 74 7.567 8.239 -3.702 1.00 0.07 C ATOM 1123 O THR A 74 8.200 9.212 -4.061 1.00 0.06 O ATOM 1124 CB THR A 74 8.852 6.499 -2.417 1.00 0.15 C ATOM 1125 OG1 THR A 74 10.103 7.177 -2.446 1.00 0.14 O ATOM 1126 CG2 THR A 74 9.206 5.018 -2.321 1.00 0.25 C ATOM 0 H THR A 74 10.028 7.478 -4.662 1.00 0.11 H new ATOM 0 HA THR A 74 7.423 6.107 -4.002 1.00 0.10 H new ATOM 0 HB THR A 74 8.182 6.769 -1.601 1.00 0.15 H new ATOM 0 HG1 THR A 74 10.584 7.012 -1.608 1.00 0.14 H new ATOM 0 HG21 THR A 74 9.666 4.816 -1.354 1.00 0.25 H new ATOM 0 HG22 THR A 74 8.301 4.420 -2.425 1.00 0.25 H new ATOM 0 HG23 THR A 74 9.905 4.759 -3.116 1.00 0.25 H new ATOM 1134 N PRO A 75 6.322 8.328 -3.247 1.00 0.08 N ATOM 1135 CA PRO A 75 5.500 7.174 -2.819 1.00 0.11 C ATOM 1136 C PRO A 75 4.909 6.440 -4.035 1.00 0.10 C ATOM 1137 O PRO A 75 4.624 7.052 -5.048 1.00 0.13 O ATOM 1138 CB PRO A 75 4.361 7.793 -2.003 1.00 0.13 C ATOM 1139 CG PRO A 75 4.408 9.334 -2.246 1.00 0.12 C ATOM 1140 CD PRO A 75 5.671 9.628 -3.078 1.00 0.09 C ATOM 0 HA PRO A 75 6.088 6.448 -2.257 1.00 0.11 H new ATOM 0 HB2 PRO A 75 3.399 7.383 -2.312 1.00 0.13 H new ATOM 0 HB3 PRO A 75 4.479 7.566 -0.943 1.00 0.13 H new ATOM 0 HG2 PRO A 75 3.514 9.667 -2.773 1.00 0.12 H new ATOM 0 HG3 PRO A 75 4.438 9.872 -1.298 1.00 0.12 H new ATOM 0 HD2 PRO A 75 5.416 10.070 -4.041 1.00 0.09 H new ATOM 0 HD3 PRO A 75 6.325 10.334 -2.567 1.00 0.09 H new ATOM 1148 N THR A 76 4.742 5.145 -3.903 1.00 0.07 N ATOM 1149 CA THR A 76 4.156 4.354 -5.031 1.00 0.06 C ATOM 1150 C THR A 76 2.984 3.514 -4.511 1.00 0.07 C ATOM 1151 O THR A 76 3.147 2.694 -3.632 1.00 0.08 O ATOM 1152 CB THR A 76 5.232 3.438 -5.632 1.00 0.06 C ATOM 1153 OG1 THR A 76 6.006 4.292 -6.469 1.00 0.12 O ATOM 1154 CG2 THR A 76 4.626 2.396 -6.575 1.00 0.09 C ATOM 0 H THR A 76 4.984 4.606 -3.071 1.00 0.07 H new ATOM 0 HA THR A 76 3.795 5.033 -5.804 1.00 0.06 H new ATOM 0 HB THR A 76 5.775 2.932 -4.834 1.00 0.06 H new ATOM 0 HG1 THR A 76 6.946 4.257 -6.192 1.00 0.12 H new ATOM 0 HG21 THR A 76 5.419 1.767 -6.980 1.00 0.09 H new ATOM 0 HG22 THR A 76 3.917 1.777 -6.026 1.00 0.09 H new ATOM 0 HG23 THR A 76 4.110 2.901 -7.392 1.00 0.09 H new ATOM 1162 N PHE A 77 1.825 3.740 -5.064 1.00 0.08 N ATOM 1163 CA PHE A 77 0.636 2.967 -4.601 1.00 0.08 C ATOM 1164 C PHE A 77 0.434 1.729 -5.475 1.00 0.03 C ATOM 1165 O PHE A 77 0.503 1.806 -6.687 1.00 0.02 O ATOM 1166 CB PHE A 77 -0.600 3.854 -4.690 1.00 0.11 C ATOM 1167 CG PHE A 77 -0.578 4.858 -3.542 1.00 0.17 C ATOM 1168 CD1 PHE A 77 -0.720 4.426 -2.237 1.00 0.14 C ATOM 1169 CD2 PHE A 77 -0.415 6.211 -3.790 1.00 0.26 C ATOM 1170 CE1 PHE A 77 -0.702 5.333 -1.196 1.00 0.20 C ATOM 1171 CE2 PHE A 77 -0.396 7.114 -2.748 1.00 0.32 C ATOM 1172 CZ PHE A 77 -0.540 6.676 -1.453 1.00 0.28 C ATOM 0 H PHE A 77 1.649 4.417 -5.807 1.00 0.08 H new ATOM 0 HA PHE A 77 0.796 2.649 -3.571 1.00 0.08 H new ATOM 0 HB2 PHE A 77 -0.620 4.377 -5.646 1.00 0.11 H new ATOM 0 HB3 PHE A 77 -1.503 3.246 -4.641 1.00 0.11 H new ATOM 0 HD1 PHE A 77 -0.846 3.373 -2.030 1.00 0.14 H new ATOM 0 HD2 PHE A 77 -0.302 6.561 -4.806 1.00 0.26 H new ATOM 0 HE1 PHE A 77 -0.815 4.989 -0.179 1.00 0.20 H new ATOM 0 HE2 PHE A 77 -0.268 8.167 -2.950 1.00 0.32 H new ATOM 0 HZ PHE A 77 -0.526 7.385 -0.638 1.00 0.28 H new ATOM 1182 N GLN A 78 0.190 0.613 -4.835 1.00 0.05 N ATOM 1183 CA GLN A 78 -0.027 -0.657 -5.606 1.00 0.07 C ATOM 1184 C GLN A 78 -1.382 -1.277 -5.251 1.00 0.02 C ATOM 1185 O GLN A 78 -1.871 -1.114 -4.153 1.00 0.08 O ATOM 1186 CB GLN A 78 1.090 -1.630 -5.257 1.00 0.18 C ATOM 1187 CG GLN A 78 1.664 -2.241 -6.539 1.00 0.92 C ATOM 1188 CD GLN A 78 2.556 -1.209 -7.232 1.00 0.99 C ATOM 1189 OE1 GLN A 78 2.097 -0.182 -7.690 1.00 2.30 O ATOM 1190 NE2 GLN A 78 3.837 -1.442 -7.326 1.00 0.77 N ATOM 0 H GLN A 78 0.131 0.523 -3.821 1.00 0.05 H new ATOM 0 HA GLN A 78 -0.020 -0.440 -6.674 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.876 -1.114 -4.706 1.00 0.18 H new ATOM 0 HB3 GLN A 78 0.709 -2.417 -4.607 1.00 0.18 H new ATOM 0 HG2 GLN A 78 2.239 -3.137 -6.304 1.00 0.92 H new ATOM 0 HG3 GLN A 78 0.856 -2.546 -7.204 1.00 0.92 H new ATOM 0 HE21 GLN A 78 4.228 -2.303 -6.943 1.00 0.77 H new ATOM 0 HE22 GLN A 78 4.447 -0.763 -7.782 1.00 0.77 H new ATOM 1199 N PHE A 79 -1.953 -1.982 -6.202 1.00 0.08 N ATOM 1200 CA PHE A 79 -3.288 -2.624 -5.965 1.00 0.11 C ATOM 1201 C PHE A 79 -3.199 -4.145 -6.167 1.00 0.15 C ATOM 1202 O PHE A 79 -2.725 -4.606 -7.188 1.00 0.17 O ATOM 1203 CB PHE A 79 -4.292 -2.055 -6.970 1.00 0.15 C ATOM 1204 CG PHE A 79 -4.669 -0.619 -6.582 1.00 0.12 C ATOM 1205 CD1 PHE A 79 -3.727 0.397 -6.630 1.00 0.11 C ATOM 1206 CD2 PHE A 79 -5.961 -0.319 -6.181 1.00 0.11 C ATOM 1207 CE1 PHE A 79 -4.076 1.689 -6.283 1.00 0.11 C ATOM 1208 CE2 PHE A 79 -6.305 0.971 -5.835 1.00 0.11 C ATOM 1209 CZ PHE A 79 -5.366 1.973 -5.886 1.00 0.12 C ATOM 0 H PHE A 79 -1.554 -2.140 -7.128 1.00 0.08 H new ATOM 0 HA PHE A 79 -3.603 -2.419 -4.942 1.00 0.11 H new ATOM 0 HB2 PHE A 79 -3.863 -2.069 -7.972 1.00 0.15 H new ATOM 0 HB3 PHE A 79 -5.185 -2.679 -6.997 1.00 0.15 H new ATOM 0 HD1 PHE A 79 -2.716 0.178 -6.940 1.00 0.11 H new ATOM 0 HD2 PHE A 79 -6.704 -1.101 -6.139 1.00 0.11 H new ATOM 0 HE1 PHE A 79 -3.338 2.476 -6.323 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -7.315 1.194 -5.523 1.00 0.11 H new ATOM 0 HZ PHE A 79 -5.638 2.983 -5.615 1.00 0.12 H new ATOM 1219 N PHE A 80 -3.659 -4.890 -5.187 1.00 0.24 N ATOM 1220 CA PHE A 80 -3.628 -6.386 -5.308 1.00 0.31 C ATOM 1221 C PHE A 80 -5.020 -6.962 -5.035 1.00 0.35 C ATOM 1222 O PHE A 80 -5.736 -6.490 -4.170 1.00 0.32 O ATOM 1223 CB PHE A 80 -2.642 -6.958 -4.290 1.00 0.34 C ATOM 1224 CG PHE A 80 -1.213 -6.630 -4.723 1.00 0.31 C ATOM 1225 CD1 PHE A 80 -0.611 -7.322 -5.760 1.00 0.35 C ATOM 1226 CD2 PHE A 80 -0.505 -5.638 -4.080 1.00 0.28 C ATOM 1227 CE1 PHE A 80 0.680 -7.020 -6.142 1.00 0.31 C ATOM 1228 CE2 PHE A 80 0.785 -5.335 -4.463 1.00 0.27 C ATOM 1229 CZ PHE A 80 1.377 -6.027 -5.494 1.00 0.26 C ATOM 0 H PHE A 80 -4.051 -4.532 -4.316 1.00 0.24 H new ATOM 0 HA PHE A 80 -3.317 -6.655 -6.318 1.00 0.31 H new ATOM 0 HB2 PHE A 80 -2.839 -6.540 -3.303 1.00 0.34 H new ATOM 0 HB3 PHE A 80 -2.770 -8.037 -4.211 1.00 0.34 H new ATOM 0 HD1 PHE A 80 -1.155 -8.102 -6.272 1.00 0.35 H new ATOM 0 HD2 PHE A 80 -0.964 -5.093 -3.269 1.00 0.28 H new ATOM 0 HE1 PHE A 80 1.144 -7.564 -6.951 1.00 0.31 H new ATOM 0 HE2 PHE A 80 1.330 -4.554 -3.953 1.00 0.27 H new ATOM 0 HZ PHE A 80 2.387 -5.791 -5.794 1.00 0.26 H new ATOM 1239 N LYS A 81 -5.372 -7.966 -5.786 1.00 0.43 N ATOM 1240 CA LYS A 81 -6.702 -8.611 -5.591 1.00 0.48 C ATOM 1241 C LYS A 81 -6.544 -10.125 -5.707 1.00 0.58 C ATOM 1242 O LYS A 81 -5.885 -10.609 -6.603 1.00 0.55 O ATOM 1243 CB LYS A 81 -7.674 -8.113 -6.657 1.00 0.48 C ATOM 1244 CG LYS A 81 -9.097 -8.167 -6.095 1.00 0.61 C ATOM 1245 CD LYS A 81 -10.083 -7.720 -7.174 1.00 0.80 C ATOM 1246 CE LYS A 81 -11.413 -7.356 -6.512 1.00 0.78 C ATOM 1247 NZ LYS A 81 -11.885 -8.471 -5.645 1.00 1.28 N ATOM 0 H LYS A 81 -4.798 -8.369 -6.527 1.00 0.43 H new ATOM 0 HA LYS A 81 -7.092 -8.358 -4.605 1.00 0.48 H new ATOM 0 HB2 LYS A 81 -7.423 -7.093 -6.949 1.00 0.48 H new ATOM 0 HB3 LYS A 81 -7.599 -8.729 -7.553 1.00 0.48 H new ATOM 0 HG2 LYS A 81 -9.333 -9.180 -5.767 1.00 0.61 H new ATOM 0 HG3 LYS A 81 -9.180 -7.522 -5.220 1.00 0.61 H new ATOM 0 HD2 LYS A 81 -9.685 -6.862 -7.716 1.00 0.80 H new ATOM 0 HD3 LYS A 81 -10.231 -8.517 -7.903 1.00 0.80 H new ATOM 0 HE2 LYS A 81 -11.294 -6.450 -5.918 1.00 0.78 H new ATOM 0 HE3 LYS A 81 -12.160 -7.140 -7.276 1.00 0.78 H new ATOM 0 HZ1 LYS A 81 -12.923 -8.524 -5.682 1.00 1.28 H new ATOM 0 HZ2 LYS A 81 -11.480 -9.368 -5.982 1.00 1.28 H new ATOM 0 HZ3 LYS A 81 -11.582 -8.301 -4.665 1.00 1.28 H new ATOM 1261 N LYS A 82 -7.148 -10.840 -4.802 1.00 0.74 N ATOM 1262 CA LYS A 82 -7.020 -12.326 -4.843 1.00 0.85 C ATOM 1263 C LYS A 82 -5.536 -12.715 -4.884 1.00 0.77 C ATOM 1264 O LYS A 82 -5.197 -13.859 -5.113 1.00 0.85 O ATOM 1265 CB LYS A 82 -7.736 -12.872 -6.081 1.00 0.93 C ATOM 1266 CG LYS A 82 -9.249 -12.780 -5.865 1.00 1.61 C ATOM 1267 CD LYS A 82 -9.903 -12.223 -7.129 1.00 2.66 C ATOM 1268 CE LYS A 82 -11.422 -12.214 -6.946 1.00 3.21 C ATOM 1269 NZ LYS A 82 -12.070 -13.122 -7.933 1.00 3.61 N ATOM 0 H LYS A 82 -7.719 -10.468 -4.043 1.00 0.74 H new ATOM 0 HA LYS A 82 -7.477 -12.752 -3.950 1.00 0.85 H new ATOM 0 HB2 LYS A 82 -7.447 -12.303 -6.964 1.00 0.93 H new ATOM 0 HB3 LYS A 82 -7.444 -13.907 -6.259 1.00 0.93 H new ATOM 0 HG2 LYS A 82 -9.656 -13.764 -5.634 1.00 1.61 H new ATOM 0 HG3 LYS A 82 -9.469 -12.136 -5.013 1.00 1.61 H new ATOM 0 HD2 LYS A 82 -9.542 -11.213 -7.325 1.00 2.66 H new ATOM 0 HD3 LYS A 82 -9.632 -12.832 -7.992 1.00 2.66 H new ATOM 0 HE2 LYS A 82 -11.674 -12.528 -5.933 1.00 3.21 H new ATOM 0 HE3 LYS A 82 -11.803 -11.200 -7.070 1.00 3.21 H new ATOM 0 HZ1 LYS A 82 -13.101 -13.105 -7.796 1.00 3.61 H new ATOM 0 HZ2 LYS A 82 -11.844 -12.805 -8.897 1.00 3.61 H new ATOM 0 HZ3 LYS A 82 -11.719 -14.091 -7.796 1.00 3.61 H new ATOM 1283 N GLY A 83 -4.683 -11.740 -4.664 1.00 0.61 N ATOM 1284 CA GLY A 83 -3.215 -12.022 -4.669 1.00 0.52 C ATOM 1285 C GLY A 83 -2.559 -11.546 -5.972 1.00 0.38 C ATOM 1286 O GLY A 83 -1.353 -11.418 -6.046 1.00 0.72 O ATOM 0 H GLY A 83 -4.940 -10.770 -4.483 1.00 0.61 H new ATOM 0 HA2 GLY A 83 -2.745 -11.526 -3.820 1.00 0.52 H new ATOM 0 HA3 GLY A 83 -3.048 -13.092 -4.545 1.00 0.52 H new ATOM 1290 N GLN A 84 -3.362 -11.295 -6.973 1.00 0.64 N ATOM 1291 CA GLN A 84 -2.791 -10.840 -8.276 1.00 0.46 C ATOM 1292 C GLN A 84 -2.857 -9.317 -8.415 1.00 0.35 C ATOM 1293 O GLN A 84 -3.769 -8.681 -7.930 1.00 0.21 O ATOM 1294 CB GLN A 84 -3.580 -11.485 -9.410 1.00 0.58 C ATOM 1295 CG GLN A 84 -2.719 -11.497 -10.671 1.00 1.80 C ATOM 1296 CD GLN A 84 -3.611 -11.295 -11.898 1.00 2.46 C ATOM 1297 OE1 GLN A 84 -4.405 -10.377 -11.956 1.00 3.15 O ATOM 1298 NE2 GLN A 84 -3.511 -12.126 -12.898 1.00 2.87 N ATOM 0 H GLN A 84 -4.378 -11.384 -6.946 1.00 0.64 H new ATOM 0 HA GLN A 84 -1.743 -11.137 -8.318 1.00 0.46 H new ATOM 0 HB2 GLN A 84 -3.865 -12.502 -9.139 1.00 0.58 H new ATOM 0 HB3 GLN A 84 -4.502 -10.932 -9.589 1.00 0.58 H new ATOM 0 HG2 GLN A 84 -1.968 -10.708 -10.620 1.00 1.80 H new ATOM 0 HG3 GLN A 84 -2.183 -12.443 -10.749 1.00 1.80 H new ATOM 0 HE21 GLN A 84 -2.846 -12.898 -12.855 1.00 2.87 H new ATOM 0 HE22 GLN A 84 -4.098 -12.004 -13.723 1.00 2.87 H new ATOM 1307 N LYS A 85 -1.879 -8.772 -9.087 1.00 0.44 N ATOM 1308 CA LYS A 85 -1.848 -7.300 -9.291 1.00 0.36 C ATOM 1309 C LYS A 85 -2.882 -6.896 -10.347 1.00 0.33 C ATOM 1310 O LYS A 85 -3.061 -7.584 -11.332 1.00 0.37 O ATOM 1311 CB LYS A 85 -0.451 -6.907 -9.765 1.00 0.36 C ATOM 1312 CG LYS A 85 -0.318 -5.385 -9.731 1.00 0.34 C ATOM 1313 CD LYS A 85 1.127 -4.995 -10.071 1.00 0.61 C ATOM 1314 CE LYS A 85 1.137 -4.208 -11.381 1.00 1.47 C ATOM 1315 NZ LYS A 85 2.537 -3.914 -11.802 1.00 1.57 N ATOM 0 H LYS A 85 -1.101 -9.285 -9.503 1.00 0.44 H new ATOM 0 HA LYS A 85 -2.086 -6.792 -8.357 1.00 0.36 H new ATOM 0 HB2 LYS A 85 0.305 -7.364 -9.126 1.00 0.36 H new ATOM 0 HB3 LYS A 85 -0.280 -7.276 -10.776 1.00 0.36 H new ATOM 0 HG2 LYS A 85 -1.007 -4.932 -10.444 1.00 0.34 H new ATOM 0 HG3 LYS A 85 -0.587 -5.007 -8.745 1.00 0.34 H new ATOM 0 HD2 LYS A 85 1.553 -4.394 -9.268 1.00 0.61 H new ATOM 0 HD3 LYS A 85 1.746 -5.888 -10.164 1.00 0.61 H new ATOM 0 HE2 LYS A 85 0.629 -4.778 -12.159 1.00 1.47 H new ATOM 0 HE3 LYS A 85 0.585 -3.276 -11.257 1.00 1.47 H new ATOM 0 HZ1 LYS A 85 2.550 -3.661 -12.811 1.00 1.57 H new ATOM 0 HZ2 LYS A 85 2.909 -3.121 -11.241 1.00 1.57 H new ATOM 0 HZ3 LYS A 85 3.130 -4.755 -11.648 1.00 1.57 H new ATOM 1329 N VAL A 86 -3.539 -5.792 -10.114 1.00 0.29 N ATOM 1330 CA VAL A 86 -4.571 -5.330 -11.093 1.00 0.27 C ATOM 1331 C VAL A 86 -4.484 -3.811 -11.305 1.00 0.20 C ATOM 1332 O VAL A 86 -5.002 -3.290 -12.273 1.00 0.26 O ATOM 1333 CB VAL A 86 -5.955 -5.689 -10.555 1.00 0.30 C ATOM 1334 CG1 VAL A 86 -6.249 -7.159 -10.865 1.00 0.47 C ATOM 1335 CG2 VAL A 86 -5.971 -5.485 -9.039 1.00 0.32 C ATOM 0 H VAL A 86 -3.410 -5.194 -9.298 1.00 0.29 H new ATOM 0 HA VAL A 86 -4.395 -5.820 -12.050 1.00 0.27 H new ATOM 0 HB VAL A 86 -6.708 -5.055 -11.022 1.00 0.30 H new ATOM 0 HG11 VAL A 86 -7.236 -7.421 -10.483 1.00 0.47 H new ATOM 0 HG12 VAL A 86 -6.224 -7.316 -11.943 1.00 0.47 H new ATOM 0 HG13 VAL A 86 -5.497 -7.789 -10.389 1.00 0.47 H new ATOM 0 HG21 VAL A 86 -6.956 -5.739 -8.648 1.00 0.32 H new ATOM 0 HG22 VAL A 86 -5.221 -6.127 -8.578 1.00 0.32 H new ATOM 0 HG23 VAL A 86 -5.748 -4.443 -8.810 1.00 0.32 H new ATOM 1345 N GLY A 87 -3.831 -3.131 -10.399 1.00 0.13 N ATOM 1346 CA GLY A 87 -3.715 -1.652 -10.547 1.00 0.09 C ATOM 1347 C GLY A 87 -2.392 -1.154 -9.965 1.00 0.10 C ATOM 1348 O GLY A 87 -1.813 -1.783 -9.101 1.00 0.24 O ATOM 0 H GLY A 87 -3.380 -3.529 -9.575 1.00 0.13 H new ATOM 0 HA2 GLY A 87 -3.780 -1.381 -11.601 1.00 0.09 H new ATOM 0 HA3 GLY A 87 -4.548 -1.164 -10.040 1.00 0.09 H new ATOM 1352 N GLU A 88 -1.938 -0.031 -10.453 1.00 0.14 N ATOM 1353 CA GLU A 88 -0.658 0.526 -9.934 1.00 0.14 C ATOM 1354 C GLU A 88 -0.448 1.951 -10.457 1.00 0.18 C ATOM 1355 O GLU A 88 -0.435 2.183 -11.650 1.00 0.28 O ATOM 1356 CB GLU A 88 0.497 -0.374 -10.396 1.00 0.29 C ATOM 1357 CG GLU A 88 1.789 0.451 -10.504 1.00 0.99 C ATOM 1358 CD GLU A 88 2.996 -0.492 -10.549 1.00 1.17 C ATOM 1359 OE1 GLU A 88 2.957 -1.461 -9.808 1.00 1.80 O ATOM 1360 OE2 GLU A 88 3.889 -0.190 -11.323 1.00 1.71 O ATOM 0 H GLU A 88 -2.393 0.519 -11.181 1.00 0.14 H new ATOM 0 HA GLU A 88 -0.691 0.559 -8.845 1.00 0.14 H new ATOM 0 HB2 GLU A 88 0.636 -1.194 -9.691 1.00 0.29 H new ATOM 0 HB3 GLU A 88 0.258 -0.821 -11.361 1.00 0.29 H new ATOM 0 HG2 GLU A 88 1.764 1.070 -11.401 1.00 0.99 H new ATOM 0 HG3 GLU A 88 1.874 1.127 -9.653 1.00 0.99 H new ATOM 1367 N PHE A 89 -0.289 2.870 -9.548 1.00 0.10 N ATOM 1368 CA PHE A 89 -0.059 4.277 -9.956 1.00 0.16 C ATOM 1369 C PHE A 89 0.728 5.007 -8.864 1.00 0.17 C ATOM 1370 O PHE A 89 0.415 4.899 -7.692 1.00 0.15 O ATOM 1371 CB PHE A 89 -1.412 4.936 -10.176 1.00 0.17 C ATOM 1372 CG PHE A 89 -1.911 5.586 -8.883 1.00 0.17 C ATOM 1373 CD1 PHE A 89 -1.448 6.834 -8.494 1.00 0.20 C ATOM 1374 CD2 PHE A 89 -2.836 4.935 -8.085 1.00 0.14 C ATOM 1375 CE1 PHE A 89 -1.905 7.416 -7.328 1.00 0.19 C ATOM 1376 CE2 PHE A 89 -3.291 5.519 -6.922 1.00 0.14 C ATOM 1377 CZ PHE A 89 -2.827 6.759 -6.544 1.00 0.16 C ATOM 0 H PHE A 89 -0.309 2.705 -8.542 1.00 0.10 H new ATOM 0 HA PHE A 89 0.521 4.319 -10.878 1.00 0.16 H new ATOM 0 HB2 PHE A 89 -1.333 5.688 -10.961 1.00 0.17 H new ATOM 0 HB3 PHE A 89 -2.133 4.193 -10.518 1.00 0.17 H new ATOM 0 HD1 PHE A 89 -0.726 7.354 -9.106 1.00 0.20 H new ATOM 0 HD2 PHE A 89 -3.204 3.962 -8.376 1.00 0.14 H new ATOM 0 HE1 PHE A 89 -1.539 8.388 -7.031 1.00 0.19 H new ATOM 0 HE2 PHE A 89 -4.013 5.003 -6.306 1.00 0.14 H new ATOM 0 HZ PHE A 89 -3.186 7.216 -5.634 1.00 0.16 H new ATOM 1387 N SER A 90 1.740 5.732 -9.271 1.00 0.20 N ATOM 1388 CA SER A 90 2.573 6.462 -8.268 1.00 0.22 C ATOM 1389 C SER A 90 2.246 7.954 -8.267 1.00 0.32 C ATOM 1390 O SER A 90 1.495 8.430 -9.097 1.00 0.46 O ATOM 1391 CB SER A 90 4.047 6.267 -8.613 1.00 0.28 C ATOM 1392 OG SER A 90 4.245 7.079 -9.761 1.00 0.43 O ATOM 0 H SER A 90 2.023 5.849 -10.244 1.00 0.20 H new ATOM 0 HA SER A 90 2.358 6.063 -7.277 1.00 0.22 H new ATOM 0 HB2 SER A 90 4.693 6.575 -7.791 1.00 0.28 H new ATOM 0 HB3 SER A 90 4.273 5.221 -8.821 1.00 0.28 H new ATOM 0 HG SER A 90 5.179 7.013 -10.052 1.00 0.43 H new ATOM 1398 N GLY A 91 2.825 8.656 -7.324 1.00 0.26 N ATOM 1399 CA GLY A 91 2.577 10.125 -7.225 1.00 0.37 C ATOM 1400 C GLY A 91 1.901 10.459 -5.895 1.00 0.40 C ATOM 1401 O GLY A 91 1.082 9.707 -5.407 1.00 0.37 O ATOM 0 H GLY A 91 3.457 8.275 -6.620 1.00 0.26 H new ATOM 0 HA2 GLY A 91 3.519 10.666 -7.308 1.00 0.37 H new ATOM 0 HA3 GLY A 91 1.948 10.451 -8.053 1.00 0.37 H new ATOM 1405 N ALA A 92 2.258 11.582 -5.335 1.00 0.50 N ATOM 1406 CA ALA A 92 1.643 11.980 -4.035 1.00 0.55 C ATOM 1407 C ALA A 92 0.192 12.435 -4.243 1.00 0.58 C ATOM 1408 O ALA A 92 -0.328 13.221 -3.477 1.00 1.21 O ATOM 1409 CB ALA A 92 2.454 13.124 -3.429 1.00 0.64 C ATOM 0 H ALA A 92 2.942 12.236 -5.716 1.00 0.50 H new ATOM 0 HA ALA A 92 1.646 11.122 -3.363 1.00 0.55 H new ATOM 0 HB1 ALA A 92 2.011 13.421 -2.478 1.00 0.64 H new ATOM 0 HB2 ALA A 92 3.480 12.795 -3.264 1.00 0.64 H new ATOM 0 HB3 ALA A 92 2.451 13.974 -4.112 1.00 0.64 H new ATOM 1415 N ASN A 93 -0.431 11.931 -5.277 1.00 0.46 N ATOM 1416 CA ASN A 93 -1.847 12.323 -5.541 1.00 0.49 C ATOM 1417 C ASN A 93 -2.793 11.455 -4.705 1.00 0.58 C ATOM 1418 O ASN A 93 -3.180 10.378 -5.114 1.00 1.15 O ATOM 1419 CB ASN A 93 -2.151 12.132 -7.026 1.00 0.53 C ATOM 1420 CG ASN A 93 -3.317 13.042 -7.423 1.00 0.51 C ATOM 1421 OD1 ASN A 93 -4.185 13.390 -6.514 1.00 0.56 O flip ATOM 1422 ND2 ASN A 93 -3.444 13.443 -8.563 1.00 0.44 N flip ATOM 0 H ASN A 93 -0.026 11.273 -5.943 1.00 0.46 H new ATOM 0 HA ASN A 93 -1.992 13.368 -5.268 1.00 0.49 H new ATOM 0 HB2 ASN A 93 -1.270 12.368 -7.623 1.00 0.53 H new ATOM 0 HB3 ASN A 93 -2.402 11.091 -7.227 1.00 0.53 H new ATOM 0 HD21 ASN A 93 -2.767 13.173 -9.277 1.00 0.44 H new ATOM 0 HD22 ASN A 93 -4.227 14.049 -8.806 1.00 0.44 H new ATOM 1429 N LYS A 94 -3.145 11.945 -3.548 1.00 0.23 N ATOM 1430 CA LYS A 94 -4.056 11.159 -2.671 1.00 0.35 C ATOM 1431 C LYS A 94 -5.510 11.317 -3.131 1.00 0.17 C ATOM 1432 O LYS A 94 -6.289 10.389 -3.051 1.00 0.05 O ATOM 1433 CB LYS A 94 -3.912 11.643 -1.225 1.00 0.58 C ATOM 1434 CG LYS A 94 -4.187 13.149 -1.156 1.00 0.74 C ATOM 1435 CD LYS A 94 -3.053 13.830 -0.383 1.00 0.61 C ATOM 1436 CE LYS A 94 -3.415 15.298 -0.147 1.00 0.91 C ATOM 1437 NZ LYS A 94 -4.149 15.850 -1.321 1.00 1.19 N ATOM 0 H LYS A 94 -2.845 12.846 -3.175 1.00 0.23 H new ATOM 0 HA LYS A 94 -3.786 10.105 -2.732 1.00 0.35 H new ATOM 0 HB2 LYS A 94 -4.608 11.106 -0.580 1.00 0.58 H new ATOM 0 HB3 LYS A 94 -2.908 11.429 -0.858 1.00 0.58 H new ATOM 0 HG2 LYS A 94 -4.260 13.565 -2.161 1.00 0.74 H new ATOM 0 HG3 LYS A 94 -5.142 13.335 -0.664 1.00 0.74 H new ATOM 0 HD2 LYS A 94 -2.892 13.325 0.570 1.00 0.61 H new ATOM 0 HD3 LYS A 94 -2.121 13.759 -0.943 1.00 0.61 H new ATOM 0 HE2 LYS A 94 -4.030 15.388 0.749 1.00 0.91 H new ATOM 0 HE3 LYS A 94 -2.509 15.878 0.029 1.00 0.91 H new ATOM 0 HZ1 LYS A 94 -4.164 16.888 -1.264 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 -3.671 15.559 -2.198 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 -5.124 15.489 -1.322 1.00 1.19 H new ATOM 1451 N GLU A 95 -5.845 12.486 -3.602 1.00 0.23 N ATOM 1452 CA GLU A 95 -7.238 12.705 -4.072 1.00 0.20 C ATOM 1453 C GLU A 95 -7.594 11.663 -5.137 1.00 0.12 C ATOM 1454 O GLU A 95 -8.749 11.464 -5.457 1.00 0.24 O ATOM 1455 CB GLU A 95 -7.354 14.108 -4.667 1.00 0.29 C ATOM 1456 CG GLU A 95 -6.694 15.112 -3.718 1.00 1.55 C ATOM 1457 CD GLU A 95 -7.330 16.489 -3.919 1.00 1.64 C ATOM 1458 OE1 GLU A 95 -6.989 17.101 -4.918 1.00 2.12 O ATOM 1459 OE2 GLU A 95 -8.118 16.853 -3.063 1.00 2.03 O ATOM 0 H GLU A 95 -5.222 13.290 -3.681 1.00 0.23 H new ATOM 0 HA GLU A 95 -7.926 12.606 -3.232 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -6.873 14.143 -5.644 1.00 0.29 H new ATOM 0 HB3 GLU A 95 -8.402 14.367 -4.818 1.00 0.29 H new ATOM 0 HG2 GLU A 95 -6.818 14.789 -2.684 1.00 1.55 H new ATOM 0 HG3 GLU A 95 -5.622 15.162 -3.910 1.00 1.55 H new ATOM 1466 N LYS A 96 -6.586 11.019 -5.662 1.00 0.10 N ATOM 1467 CA LYS A 96 -6.834 9.983 -6.707 1.00 0.23 C ATOM 1468 C LYS A 96 -7.152 8.636 -6.047 1.00 0.23 C ATOM 1469 O LYS A 96 -7.980 7.888 -6.527 1.00 0.23 O ATOM 1470 CB LYS A 96 -5.585 9.850 -7.580 1.00 0.35 C ATOM 1471 CG LYS A 96 -5.864 8.868 -8.720 1.00 0.50 C ATOM 1472 CD LYS A 96 -4.722 8.942 -9.739 1.00 0.55 C ATOM 1473 CE LYS A 96 -5.185 9.744 -10.958 1.00 0.78 C ATOM 1474 NZ LYS A 96 -4.038 10.010 -11.875 1.00 1.14 N ATOM 0 H LYS A 96 -5.607 11.164 -5.415 1.00 0.10 H new ATOM 0 HA LYS A 96 -7.684 10.280 -7.321 1.00 0.23 H new ATOM 0 HB2 LYS A 96 -5.305 10.823 -7.984 1.00 0.35 H new ATOM 0 HB3 LYS A 96 -4.745 9.499 -6.981 1.00 0.35 H new ATOM 0 HG2 LYS A 96 -5.954 7.854 -8.329 1.00 0.50 H new ATOM 0 HG3 LYS A 96 -6.812 9.110 -9.200 1.00 0.50 H new ATOM 0 HD2 LYS A 96 -3.848 9.413 -9.290 1.00 0.55 H new ATOM 0 HD3 LYS A 96 -4.423 7.938 -10.041 1.00 0.55 H new ATOM 0 HE2 LYS A 96 -5.962 9.194 -11.489 1.00 0.78 H new ATOM 0 HE3 LYS A 96 -5.626 10.687 -10.634 1.00 0.78 H new ATOM 0 HZ1 LYS A 96 -4.369 10.555 -12.697 1.00 1.14 H new ATOM 0 HZ2 LYS A 96 -3.309 10.553 -11.370 1.00 1.14 H new ATOM 0 HZ3 LYS A 96 -3.635 9.107 -12.198 1.00 1.14 H new ATOM 1488 N LEU A 97 -6.482 8.357 -4.958 1.00 0.23 N ATOM 1489 CA LEU A 97 -6.733 7.064 -4.244 1.00 0.23 C ATOM 1490 C LEU A 97 -8.235 6.771 -4.180 1.00 0.26 C ATOM 1491 O LEU A 97 -8.697 5.808 -4.747 1.00 0.37 O ATOM 1492 CB LEU A 97 -6.199 7.169 -2.815 1.00 0.31 C ATOM 1493 CG LEU A 97 -4.671 7.033 -2.816 1.00 0.28 C ATOM 1494 CD1 LEU A 97 -4.148 7.423 -1.432 1.00 0.37 C ATOM 1495 CD2 LEU A 97 -4.265 5.578 -3.113 1.00 0.33 C ATOM 0 H LEU A 97 -5.778 8.961 -4.534 1.00 0.23 H new ATOM 0 HA LEU A 97 -6.231 6.262 -4.785 1.00 0.23 H new ATOM 0 HB2 LEU A 97 -6.487 8.126 -2.379 1.00 0.31 H new ATOM 0 HB3 LEU A 97 -6.642 6.390 -2.194 1.00 0.31 H new ATOM 0 HG LEU A 97 -4.250 7.682 -3.584 1.00 0.28 H new ATOM 0 HD11 LEU A 97 -3.062 7.332 -1.415 1.00 0.37 H new ATOM 0 HD12 LEU A 97 -4.429 8.453 -1.214 1.00 0.37 H new ATOM 0 HD13 LEU A 97 -4.580 6.762 -0.680 1.00 0.37 H new ATOM 0 HD21 LEU A 97 -3.178 5.496 -3.111 1.00 0.33 H new ATOM 0 HD22 LEU A 97 -4.680 4.921 -2.349 1.00 0.33 H new ATOM 0 HD23 LEU A 97 -4.649 5.285 -4.090 1.00 0.33 H new ATOM 1507 N GLU A 98 -8.957 7.617 -3.480 1.00 0.25 N ATOM 1508 CA GLU A 98 -10.440 7.414 -3.336 1.00 0.27 C ATOM 1509 C GLU A 98 -11.048 6.834 -4.611 1.00 0.26 C ATOM 1510 O GLU A 98 -11.474 5.696 -4.640 1.00 0.26 O ATOM 1511 CB GLU A 98 -11.099 8.756 -3.027 1.00 0.31 C ATOM 1512 CG GLU A 98 -12.521 8.509 -2.517 1.00 0.34 C ATOM 1513 CD GLU A 98 -13.434 9.634 -3.004 1.00 1.03 C ATOM 1514 OE1 GLU A 98 -13.250 10.733 -2.509 1.00 1.18 O ATOM 1515 OE2 GLU A 98 -14.265 9.331 -3.845 1.00 2.20 O ATOM 0 H GLU A 98 -8.586 8.438 -3.002 1.00 0.25 H new ATOM 0 HA GLU A 98 -10.614 6.707 -2.525 1.00 0.27 H new ATOM 0 HB2 GLU A 98 -10.519 9.296 -2.278 1.00 0.31 H new ATOM 0 HB3 GLU A 98 -11.123 9.378 -3.922 1.00 0.31 H new ATOM 0 HG2 GLU A 98 -12.887 7.547 -2.876 1.00 0.34 H new ATOM 0 HG3 GLU A 98 -12.527 8.466 -1.428 1.00 0.34 H new ATOM 1522 N ALA A 99 -11.078 7.625 -5.630 1.00 0.27 N ATOM 1523 CA ALA A 99 -11.660 7.141 -6.917 1.00 0.29 C ATOM 1524 C ALA A 99 -10.992 5.829 -7.339 1.00 0.25 C ATOM 1525 O ALA A 99 -11.645 4.926 -7.826 1.00 0.27 O ATOM 1526 CB ALA A 99 -11.439 8.196 -7.998 1.00 0.32 C ATOM 0 H ALA A 99 -10.729 8.583 -5.639 1.00 0.27 H new ATOM 0 HA ALA A 99 -12.728 6.967 -6.783 1.00 0.29 H new ATOM 0 HB1 ALA A 99 -11.863 7.846 -8.940 1.00 0.32 H new ATOM 0 HB2 ALA A 99 -11.926 9.126 -7.704 1.00 0.32 H new ATOM 0 HB3 ALA A 99 -10.370 8.370 -8.123 1.00 0.32 H new ATOM 1532 N THR A 100 -9.704 5.749 -7.142 1.00 0.23 N ATOM 1533 CA THR A 100 -8.986 4.500 -7.528 1.00 0.22 C ATOM 1534 C THR A 100 -9.574 3.304 -6.771 1.00 0.23 C ATOM 1535 O THR A 100 -9.860 2.281 -7.356 1.00 0.25 O ATOM 1536 CB THR A 100 -7.501 4.651 -7.198 1.00 0.20 C ATOM 1537 OG1 THR A 100 -7.166 5.964 -7.633 1.00 0.25 O ATOM 1538 CG2 THR A 100 -6.642 3.714 -8.045 1.00 0.12 C ATOM 0 H THR A 100 -9.124 6.483 -6.736 1.00 0.23 H new ATOM 0 HA THR A 100 -9.104 4.328 -8.598 1.00 0.22 H new ATOM 0 HB THR A 100 -7.330 4.444 -6.141 1.00 0.20 H new ATOM 0 HG1 THR A 100 -7.361 6.605 -6.918 1.00 0.25 H new ATOM 0 HG21 THR A 100 -5.592 3.848 -7.784 1.00 0.12 H new ATOM 0 HG22 THR A 100 -6.934 2.681 -7.855 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.786 3.943 -9.101 1.00 0.12 H new ATOM 1546 N ILE A 101 -9.736 3.450 -5.485 1.00 0.23 N ATOM 1547 CA ILE A 101 -10.332 2.331 -4.711 1.00 0.23 C ATOM 1548 C ILE A 101 -11.700 2.028 -5.297 1.00 0.23 C ATOM 1549 O ILE A 101 -12.076 0.886 -5.463 1.00 0.22 O ATOM 1550 CB ILE A 101 -10.466 2.739 -3.234 1.00 0.22 C ATOM 1551 CG1 ILE A 101 -9.170 2.393 -2.487 1.00 0.32 C ATOM 1552 CG2 ILE A 101 -11.637 1.979 -2.597 1.00 0.18 C ATOM 1553 CD1 ILE A 101 -8.021 3.230 -3.054 1.00 1.31 C ATOM 0 H ILE A 101 -9.486 4.280 -4.947 1.00 0.23 H new ATOM 0 HA ILE A 101 -9.698 1.446 -4.769 1.00 0.23 H new ATOM 0 HB ILE A 101 -10.649 3.812 -3.170 1.00 0.22 H new ATOM 0 HG12 ILE A 101 -9.287 2.590 -1.421 1.00 0.32 H new ATOM 0 HG13 ILE A 101 -8.948 1.331 -2.593 1.00 0.32 H new ATOM 0 HG21 ILE A 101 -11.732 2.268 -1.550 1.00 0.18 H new ATOM 0 HG22 ILE A 101 -12.559 2.222 -3.126 1.00 0.18 H new ATOM 0 HG23 ILE A 101 -11.453 0.907 -2.662 1.00 0.18 H new ATOM 0 HD11 ILE A 101 -7.099 2.987 -2.526 1.00 1.31 H new ATOM 0 HD12 ILE A 101 -7.900 3.011 -4.115 1.00 1.31 H new ATOM 0 HD13 ILE A 101 -8.244 4.289 -2.925 1.00 1.31 H new ATOM 1565 N ASN A 102 -12.408 3.071 -5.607 1.00 0.24 N ATOM 1566 CA ASN A 102 -13.755 2.896 -6.207 1.00 0.23 C ATOM 1567 C ASN A 102 -13.620 2.128 -7.520 1.00 0.28 C ATOM 1568 O ASN A 102 -14.587 1.628 -8.059 1.00 0.31 O ATOM 1569 CB ASN A 102 -14.358 4.272 -6.480 1.00 0.20 C ATOM 1570 CG ASN A 102 -15.883 4.177 -6.451 1.00 0.42 C ATOM 1571 OD1 ASN A 102 -16.450 3.103 -6.388 1.00 0.66 O ATOM 1572 ND2 ASN A 102 -16.585 5.275 -6.499 1.00 0.73 N ATOM 0 H ASN A 102 -12.113 4.038 -5.471 1.00 0.24 H new ATOM 0 HA ASN A 102 -14.400 2.342 -5.525 1.00 0.23 H new ATOM 0 HB2 ASN A 102 -14.014 4.986 -5.732 1.00 0.20 H new ATOM 0 HB3 ASN A 102 -14.025 4.641 -7.450 1.00 0.20 H new ATOM 0 HD21 ASN A 102 -17.604 5.230 -6.484 1.00 0.73 H new ATOM 0 HD22 ASN A 102 -16.115 6.179 -6.552 1.00 0.73 H new ATOM 1579 N GLU A 103 -12.409 2.053 -8.004 1.00 0.28 N ATOM 1580 CA GLU A 103 -12.167 1.332 -9.283 1.00 0.31 C ATOM 1581 C GLU A 103 -12.261 -0.185 -9.079 1.00 0.33 C ATOM 1582 O GLU A 103 -12.891 -0.874 -9.857 1.00 0.32 O ATOM 1583 CB GLU A 103 -10.770 1.691 -9.799 1.00 0.34 C ATOM 1584 CG GLU A 103 -10.739 1.519 -11.318 1.00 0.40 C ATOM 1585 CD GLU A 103 -9.287 1.550 -11.800 1.00 1.56 C ATOM 1586 OE1 GLU A 103 -8.461 1.964 -11.004 1.00 2.39 O ATOM 1587 OE2 GLU A 103 -9.088 1.159 -12.939 1.00 2.22 O ATOM 0 H GLU A 103 -11.580 2.459 -7.569 1.00 0.28 H new ATOM 0 HA GLU A 103 -12.926 1.630 -10.006 1.00 0.31 H new ATOM 0 HB2 GLU A 103 -10.523 2.718 -9.532 1.00 0.34 H new ATOM 0 HB3 GLU A 103 -10.021 1.051 -9.333 1.00 0.34 H new ATOM 0 HG2 GLU A 103 -11.207 0.576 -11.598 1.00 0.40 H new ATOM 0 HG3 GLU A 103 -11.311 2.314 -11.797 1.00 0.40 H new ATOM 1594 N LEU A 104 -11.632 -0.674 -8.034 1.00 0.35 N ATOM 1595 CA LEU A 104 -11.659 -2.154 -7.781 1.00 0.37 C ATOM 1596 C LEU A 104 -12.584 -2.499 -6.603 1.00 0.37 C ATOM 1597 O LEU A 104 -12.662 -3.642 -6.196 1.00 0.45 O ATOM 1598 CB LEU A 104 -10.242 -2.632 -7.464 1.00 0.37 C ATOM 1599 CG LEU A 104 -9.256 -1.991 -8.445 1.00 0.35 C ATOM 1600 CD1 LEU A 104 -7.858 -2.551 -8.183 1.00 0.33 C ATOM 1601 CD2 LEU A 104 -9.672 -2.333 -9.879 1.00 0.42 C ATOM 0 H LEU A 104 -11.108 -0.123 -7.354 1.00 0.35 H new ATOM 0 HA LEU A 104 -12.039 -2.651 -8.674 1.00 0.37 H new ATOM 0 HB2 LEU A 104 -9.978 -2.367 -6.440 1.00 0.37 H new ATOM 0 HB3 LEU A 104 -10.189 -3.718 -7.536 1.00 0.37 H new ATOM 0 HG LEU A 104 -9.255 -0.909 -8.312 1.00 0.35 H new ATOM 0 HD11 LEU A 104 -7.149 -2.100 -8.877 1.00 0.33 H new ATOM 0 HD12 LEU A 104 -7.560 -2.321 -7.160 1.00 0.33 H new ATOM 0 HD13 LEU A 104 -7.867 -3.632 -8.324 1.00 0.33 H new ATOM 0 HD21 LEU A 104 -8.972 -1.878 -10.579 1.00 0.42 H new ATOM 0 HD22 LEU A 104 -9.666 -3.415 -10.011 1.00 0.42 H new ATOM 0 HD23 LEU A 104 -10.675 -1.950 -10.068 1.00 0.42 H new ATOM 1613 N VAL A 105 -13.264 -1.515 -6.079 1.00 0.32 N ATOM 1614 CA VAL A 105 -14.183 -1.796 -4.931 1.00 0.31 C ATOM 1615 C VAL A 105 -15.266 -2.795 -5.351 1.00 0.34 C ATOM 1616 O VAL A 105 -15.729 -3.495 -4.465 1.00 1.47 O ATOM 1617 CB VAL A 105 -14.838 -0.493 -4.478 1.00 0.29 C ATOM 1618 CG1 VAL A 105 -15.981 -0.144 -5.434 1.00 0.40 C ATOM 1619 CG2 VAL A 105 -15.397 -0.673 -3.067 1.00 0.39 C ATOM 1620 OXT VAL A 105 -15.570 -2.801 -6.533 1.00 0.98 O ATOM 0 H VAL A 105 -13.227 -0.543 -6.387 1.00 0.32 H new ATOM 0 HA VAL A 105 -13.608 -2.225 -4.110 1.00 0.31 H new ATOM 0 HB VAL A 105 -14.100 0.309 -4.480 1.00 0.29 H new ATOM 0 HG11 VAL A 105 -16.452 0.786 -5.114 1.00 0.40 H new ATOM 0 HG12 VAL A 105 -15.587 -0.023 -6.443 1.00 0.40 H new ATOM 0 HG13 VAL A 105 -16.719 -0.946 -5.426 1.00 0.40 H new ATOM 0 HG21 VAL A 105 -15.865 0.255 -2.740 1.00 0.39 H new ATOM 0 HG22 VAL A 105 -16.138 -1.472 -3.068 1.00 0.39 H new ATOM 0 HG23 VAL A 105 -14.587 -0.930 -2.385 1.00 0.39 H new TER 1630 VAL A 105