USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 890 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 98 LYS NZ :NH3+ 167:sc= 1.84 (180deg=0.557) USER MOD Set 1.2: A 100 THR OG1 : rot 180:sc= 0.873 USER MOD Set 2.1: A 82 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 101 GLN : amide:sc= 0 X(o=0,f=0.13) USER MOD Set 3.1: A 75 SER OG : rot -155:sc= 0.712 USER MOD Set 3.2: A 79 MET CE :methyl 180:sc= -0.0485 (180deg=0) USER MOD Set 4.1: A 71 ASN : amide:sc= 2.04 K(o=2.9,f=-2.5!) USER MOD Set 4.2: A 73 TYR OH : rot 180:sc= 0.886 USER MOD Set 5.1: A 30 MET CE :methyl -170:sc= 0 (180deg=-0.0282) USER MOD Set 5.2: A 97 TYR OH : rot 180:sc= -1.08 USER MOD Set 6.1: A 22 SER OG : rot 180:sc=-0.00695 USER MOD Set 6.2: A 23 SER OG : rot 180:sc= 0.182 USER MOD Set 6.3: A 24 ASN : amide:sc=-0.00447 X(o=0.17,f=-0.24) USER MOD Set 7.1: A 15 SER OG : rot 101:sc= 1.23 USER MOD Set 7.2: A 48 HIS : no HD1:sc= -1.21 K(o=0.02,f=-2.5) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.319 K(o=-0.32,f=-3.9!) USER MOD Single : A 12 HIS : no HE2:sc= -0.185 K(o=-0.18,f=-2.2!) USER MOD Single : A 13 MET CE :methyl -155:sc= -0.036 (180deg=-0.535) USER MOD Single : A 17 ASN : amide:sc= 0.562 K(o=0.56,f=-4.5!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0163 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0683 K(o=-0.068,f=-4.1!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= -0.0102 (180deg=-0.127) USER MOD Single : A 35 MET CE :methyl 175:sc= -0.249 (180deg=-0.29) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -172:sc=-0.00623 (180deg=-0.0935) USER MOD Single : A 41 LYS NZ :NH3+ -175:sc= -0.0111 (180deg=-0.065) USER MOD Single : A 44 ASN : amide:sc= 0.832 K(o=0.83,f=0) USER MOD Single : A 45 THR OG1 : rot -103:sc= 1.24 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -67:sc= 0.347 USER MOD Single : A 60 GLN : amide:sc= -0.408 X(o=-0.41,f=-0.11) USER MOD Single : A 61 LYS NZ :NH3+ 167:sc=-0.000369 (180deg=-0.113) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0.688 K(o=0.69,f=-0.015) USER MOD Single : A 70 THR OG1 : rot 75:sc= 0.516 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.056 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 125:sc= 1.83 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot -42:sc= 0.286 USER MOD Single : A 104 LYS NZ :NH3+ -169:sc= -0.0111 (180deg=-0.15) USER MOD Single : A 105 HIS : no HD1:sc= -0.379 K(o=-0.38,f=-1) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot -75:sc= 0.741 USER MOD Single : A 119 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.3!) USER MOD Single : A 123 SER OG : rot 140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N SER A 3 -9.702 -11.424 7.796 1.00 0.00 N ATOM 41 CA SER A 3 -8.538 -12.265 8.005 1.00 0.00 C ATOM 42 C SER A 3 -7.337 -11.412 7.623 1.00 0.00 C ATOM 43 O SER A 3 -6.607 -11.723 6.686 1.00 0.00 O ATOM 44 CB SER A 3 -8.674 -13.543 7.171 1.00 0.00 C ATOM 45 OG SER A 3 -7.692 -14.483 7.561 1.00 0.00 O ATOM 0 HA SER A 3 -8.426 -12.601 9.036 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.669 -13.969 7.303 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.565 -13.309 6.112 1.00 0.00 H new ATOM 0 HG SER A 3 -7.787 -15.297 7.024 1.00 0.00 H new ATOM 51 N ALA A 4 -7.213 -10.264 8.300 1.00 0.00 N ATOM 52 CA ALA A 4 -6.187 -9.246 8.100 1.00 0.00 C ATOM 53 C ALA A 4 -6.368 -8.462 6.797 1.00 0.00 C ATOM 54 O ALA A 4 -6.381 -7.232 6.805 1.00 0.00 O ATOM 55 CB ALA A 4 -4.799 -9.875 8.177 1.00 0.00 C ATOM 0 H ALA A 4 -7.865 -10.011 9.043 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.294 -8.520 8.906 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.042 -9.105 8.026 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.661 -10.333 9.156 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.701 -10.637 7.403 1.00 0.00 H new ATOM 61 N ALA A 5 -6.504 -9.176 5.678 1.00 0.00 N ATOM 62 CA ALA A 5 -6.524 -8.644 4.326 1.00 0.00 C ATOM 63 C ALA A 5 -7.468 -7.460 4.150 1.00 0.00 C ATOM 64 O ALA A 5 -7.174 -6.561 3.373 1.00 0.00 O ATOM 65 CB ALA A 5 -6.872 -9.762 3.346 1.00 0.00 C ATOM 0 H ALA A 5 -6.608 -10.191 5.698 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.526 -8.259 4.119 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.887 -9.365 2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.124 -10.552 3.415 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.853 -10.169 3.591 1.00 0.00 H new ATOM 71 N ALA A 6 -8.594 -7.440 4.864 1.00 0.00 N ATOM 72 CA ALA A 6 -9.520 -6.318 4.830 1.00 0.00 C ATOM 73 C ALA A 6 -8.846 -5.044 5.347 1.00 0.00 C ATOM 74 O ALA A 6 -8.866 -4.006 4.687 1.00 0.00 O ATOM 75 CB ALA A 6 -10.760 -6.665 5.656 1.00 0.00 C ATOM 0 H ALA A 6 -8.885 -8.200 5.479 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.824 -6.128 3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.458 -5.828 5.634 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.241 -7.549 5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.466 -6.866 6.686 1.00 0.00 H new ATOM 81 N LYS A 7 -8.219 -5.120 6.523 1.00 0.00 N ATOM 82 CA LYS A 7 -7.512 -3.995 7.098 1.00 0.00 C ATOM 83 C LYS A 7 -6.311 -3.649 6.223 1.00 0.00 C ATOM 84 O LYS A 7 -6.107 -2.477 5.909 1.00 0.00 O ATOM 85 CB LYS A 7 -7.098 -4.332 8.535 1.00 0.00 C ATOM 86 CG LYS A 7 -8.268 -4.203 9.521 1.00 0.00 C ATOM 87 CD LYS A 7 -8.324 -2.843 10.236 1.00 0.00 C ATOM 88 CE LYS A 7 -8.533 -1.657 9.285 1.00 0.00 C ATOM 89 NZ LYS A 7 -8.721 -0.400 10.031 1.00 0.00 N ATOM 0 H LYS A 7 -8.192 -5.964 7.095 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.159 -3.119 7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.706 -5.349 8.570 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.290 -3.669 8.844 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.203 -4.361 8.984 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.192 -4.994 10.268 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.133 -2.859 10.966 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.397 -2.695 10.790 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.673 -1.564 8.622 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.403 -1.842 8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.860 0.384 9.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.556 -0.483 10.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.880 -0.213 10.613 1.00 0.00 H new ATOM 103 N PHE A 8 -5.536 -4.663 5.814 1.00 0.00 N ATOM 104 CA PHE A 8 -4.407 -4.463 4.912 1.00 0.00 C ATOM 105 C PHE A 8 -4.850 -3.675 3.681 1.00 0.00 C ATOM 106 O PHE A 8 -4.259 -2.647 3.361 1.00 0.00 O ATOM 107 CB PHE A 8 -3.779 -5.792 4.479 1.00 0.00 C ATOM 108 CG PHE A 8 -2.653 -5.614 3.474 1.00 0.00 C ATOM 109 CD1 PHE A 8 -1.561 -4.782 3.787 1.00 0.00 C ATOM 110 CD2 PHE A 8 -2.785 -6.119 2.166 1.00 0.00 C ATOM 111 CE1 PHE A 8 -0.628 -4.431 2.797 1.00 0.00 C ATOM 112 CE2 PHE A 8 -1.836 -5.791 1.183 1.00 0.00 C ATOM 113 CZ PHE A 8 -0.761 -4.943 1.496 1.00 0.00 C ATOM 0 H PHE A 8 -5.676 -5.632 6.099 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.650 -3.898 5.456 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.396 -6.311 5.358 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.550 -6.428 4.044 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.440 -4.411 4.794 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.618 -6.760 1.918 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.191 -3.768 3.036 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.933 -6.192 0.185 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.037 -4.685 0.737 1.00 0.00 H new ATOM 123 N GLU A 9 -5.909 -4.146 3.017 1.00 0.00 N ATOM 124 CA GLU A 9 -6.514 -3.468 1.887 1.00 0.00 C ATOM 125 C GLU A 9 -6.780 -2.025 2.292 1.00 0.00 C ATOM 126 O GLU A 9 -6.194 -1.123 1.714 1.00 0.00 O ATOM 127 CB GLU A 9 -7.798 -4.188 1.443 1.00 0.00 C ATOM 128 CG GLU A 9 -8.446 -3.512 0.225 1.00 0.00 C ATOM 129 CD GLU A 9 -9.851 -4.039 -0.041 1.00 0.00 C ATOM 130 OE1 GLU A 9 -10.710 -3.828 0.843 1.00 0.00 O ATOM 131 OE2 GLU A 9 -10.046 -4.630 -1.125 1.00 0.00 O ATOM 0 H GLU A 9 -6.371 -5.023 3.260 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.842 -3.482 1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.567 -5.225 1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.509 -4.204 2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.488 -2.435 0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.824 -3.678 -0.655 1.00 0.00 H new ATOM 138 N ARG A 10 -7.633 -1.805 3.293 1.00 0.00 N ATOM 139 CA ARG A 10 -8.071 -0.464 3.641 1.00 0.00 C ATOM 140 C ARG A 10 -6.911 0.494 3.940 1.00 0.00 C ATOM 141 O ARG A 10 -7.031 1.681 3.636 1.00 0.00 O ATOM 142 CB ARG A 10 -9.089 -0.503 4.794 1.00 0.00 C ATOM 143 CG ARG A 10 -10.531 -0.367 4.279 1.00 0.00 C ATOM 144 CD ARG A 10 -11.063 -1.639 3.602 1.00 0.00 C ATOM 145 NE ARG A 10 -11.761 -2.500 4.565 1.00 0.00 N ATOM 146 CZ ARG A 10 -12.514 -3.554 4.228 1.00 0.00 C ATOM 147 NH1 ARG A 10 -12.455 -4.072 2.996 1.00 0.00 N ATOM 148 NH2 ARG A 10 -13.339 -4.086 5.136 1.00 0.00 N ATOM 0 H ARG A 10 -8.031 -2.543 3.874 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.567 -0.059 2.759 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.984 -1.440 5.341 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.875 0.302 5.497 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.183 -0.109 5.113 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.579 0.459 3.570 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.742 -1.367 2.794 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.236 -2.188 3.152 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.666 -2.280 5.557 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.831 -3.664 2.300 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.034 -4.875 2.752 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.390 -3.688 6.074 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.918 -4.889 4.891 1.00 0.00 H new ATOM 162 N GLN A 11 -5.832 0.037 4.584 1.00 0.00 N ATOM 163 CA GLN A 11 -4.695 0.910 4.891 1.00 0.00 C ATOM 164 C GLN A 11 -3.772 1.091 3.682 1.00 0.00 C ATOM 165 O GLN A 11 -3.235 2.179 3.471 1.00 0.00 O ATOM 166 CB GLN A 11 -3.984 0.473 6.184 1.00 0.00 C ATOM 167 CG GLN A 11 -3.303 -0.904 6.167 1.00 0.00 C ATOM 168 CD GLN A 11 -1.848 -0.902 5.702 1.00 0.00 C ATOM 169 OE1 GLN A 11 -1.395 -0.010 4.997 1.00 0.00 O ATOM 170 NE2 GLN A 11 -1.084 -1.913 6.107 1.00 0.00 N ATOM 0 H GLN A 11 -5.722 -0.926 4.901 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.075 1.910 5.099 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.230 1.222 6.427 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.714 0.481 6.993 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.347 -1.326 7.171 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.875 -1.567 5.518 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.479 -2.647 6.694 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.103 -1.954 5.830 1.00 0.00 H new ATOM 179 N HIS A 12 -3.589 0.032 2.892 1.00 0.00 N ATOM 180 CA HIS A 12 -2.739 0.058 1.715 1.00 0.00 C ATOM 181 C HIS A 12 -3.574 0.461 0.501 1.00 0.00 C ATOM 182 O HIS A 12 -3.551 1.600 0.054 1.00 0.00 O ATOM 183 CB HIS A 12 -2.071 -1.318 1.545 1.00 0.00 C ATOM 184 CG HIS A 12 -1.148 -1.431 0.358 1.00 0.00 C ATOM 185 ND1 HIS A 12 0.051 -0.769 0.204 1.00 0.00 N ATOM 186 CD2 HIS A 12 -1.337 -2.222 -0.741 1.00 0.00 C ATOM 187 CE1 HIS A 12 0.591 -1.158 -0.964 1.00 0.00 C ATOM 188 NE2 HIS A 12 -0.238 -2.036 -1.557 1.00 0.00 N ATOM 0 H HIS A 12 -4.033 -0.871 3.058 1.00 0.00 H new ATOM 0 HA HIS A 12 -1.944 0.796 1.823 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -1.507 -1.546 2.449 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -2.850 -2.076 1.455 1.00 0.00 H new ATOM 0 HD1 HIS A 12 0.457 -0.102 0.860 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -2.182 -2.867 -0.934 1.00 0.00 H new ATOM 0 HE1 HIS A 12 1.537 -0.820 -1.362 1.00 0.00 H new ATOM 197 N MET A 13 -4.312 -0.487 -0.060 1.00 0.00 N ATOM 198 CA MET A 13 -4.993 -0.330 -1.328 1.00 0.00 C ATOM 199 C MET A 13 -6.080 0.745 -1.238 1.00 0.00 C ATOM 200 O MET A 13 -6.764 0.900 -0.231 1.00 0.00 O ATOM 201 CB MET A 13 -5.549 -1.704 -1.712 1.00 0.00 C ATOM 202 CG MET A 13 -6.400 -1.713 -2.981 1.00 0.00 C ATOM 203 SD MET A 13 -7.005 -3.364 -3.390 1.00 0.00 S ATOM 204 CE MET A 13 -8.195 -2.923 -4.659 1.00 0.00 C ATOM 0 H MET A 13 -4.454 -1.403 0.366 1.00 0.00 H new ATOM 0 HA MET A 13 -4.309 0.015 -2.104 1.00 0.00 H new ATOM 0 HB2 MET A 13 -4.716 -2.395 -1.844 1.00 0.00 H new ATOM 0 HB3 MET A 13 -6.149 -2.083 -0.885 1.00 0.00 H new ATOM 0 HG2 MET A 13 -7.247 -1.040 -2.852 1.00 0.00 H new ATOM 0 HG3 MET A 13 -5.811 -1.328 -3.813 1.00 0.00 H new ATOM 0 HE1 MET A 13 -8.963 -3.694 -4.722 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.659 -1.969 -4.407 1.00 0.00 H new ATOM 0 HE3 MET A 13 -7.687 -2.837 -5.620 1.00 0.00 H new ATOM 214 N ASP A 14 -6.245 1.478 -2.337 1.00 0.00 N ATOM 215 CA ASP A 14 -7.245 2.510 -2.503 1.00 0.00 C ATOM 216 C ASP A 14 -7.604 2.573 -3.986 1.00 0.00 C ATOM 217 O ASP A 14 -6.916 3.233 -4.763 1.00 0.00 O ATOM 218 CB ASP A 14 -6.709 3.857 -1.996 1.00 0.00 C ATOM 219 CG ASP A 14 -7.675 5.003 -2.287 1.00 0.00 C ATOM 220 OD1 ASP A 14 -8.898 4.738 -2.287 1.00 0.00 O ATOM 221 OD2 ASP A 14 -7.173 6.126 -2.508 1.00 0.00 O ATOM 0 H ASP A 14 -5.659 1.358 -3.163 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.137 2.283 -1.920 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.532 3.796 -0.922 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.748 4.065 -2.466 1.00 0.00 H new ATOM 226 N SER A 15 -8.670 1.871 -4.386 1.00 0.00 N ATOM 227 CA SER A 15 -9.105 1.814 -5.777 1.00 0.00 C ATOM 228 C SER A 15 -9.710 3.160 -6.198 1.00 0.00 C ATOM 229 O SER A 15 -10.926 3.300 -6.292 1.00 0.00 O ATOM 230 CB SER A 15 -10.070 0.642 -5.989 1.00 0.00 C ATOM 231 OG SER A 15 -10.173 0.356 -7.371 1.00 0.00 O ATOM 0 H SER A 15 -9.253 1.327 -3.750 1.00 0.00 H new ATOM 0 HA SER A 15 -8.243 1.634 -6.420 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.715 -0.237 -5.451 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.052 0.888 -5.584 1.00 0.00 H new ATOM 0 HG SER A 15 -9.622 -0.425 -7.585 1.00 0.00 H new ATOM 237 N GLY A 16 -8.849 4.156 -6.412 1.00 0.00 N ATOM 238 CA GLY A 16 -9.244 5.499 -6.797 1.00 0.00 C ATOM 239 C GLY A 16 -9.387 5.604 -8.312 1.00 0.00 C ATOM 240 O GLY A 16 -10.293 5.028 -8.908 1.00 0.00 O ATOM 0 H GLY A 16 -7.840 4.043 -6.319 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.189 5.757 -6.319 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.502 6.217 -6.446 1.00 0.00 H new ATOM 244 N ASN A 17 -8.496 6.371 -8.939 1.00 0.00 N ATOM 245 CA ASN A 17 -8.504 6.678 -10.361 1.00 0.00 C ATOM 246 C ASN A 17 -7.127 7.265 -10.684 1.00 0.00 C ATOM 247 O ASN A 17 -6.306 7.395 -9.779 1.00 0.00 O ATOM 248 CB ASN A 17 -9.659 7.650 -10.664 1.00 0.00 C ATOM 249 CG ASN A 17 -9.976 7.776 -12.151 1.00 0.00 C ATOM 250 OD1 ASN A 17 -9.344 7.149 -12.994 1.00 0.00 O ATOM 251 ND2 ASN A 17 -10.953 8.610 -12.495 1.00 0.00 N ATOM 0 H ASN A 17 -7.719 6.811 -8.446 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.673 5.800 -10.984 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.553 7.315 -10.138 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.407 8.635 -10.270 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.191 8.739 -13.478 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.465 9.121 -11.775 1.00 0.00 H new ATOM 258 N SER A 18 -6.857 7.617 -11.941 1.00 0.00 N ATOM 259 CA SER A 18 -5.630 8.286 -12.347 1.00 0.00 C ATOM 260 C SER A 18 -5.332 9.572 -11.550 1.00 0.00 C ATOM 261 O SER A 18 -4.201 9.715 -11.083 1.00 0.00 O ATOM 262 CB SER A 18 -5.644 8.505 -13.863 1.00 0.00 C ATOM 263 OG SER A 18 -6.129 7.331 -14.489 1.00 0.00 O ATOM 0 H SER A 18 -7.498 7.441 -12.715 1.00 0.00 H new ATOM 0 HA SER A 18 -4.795 7.630 -12.101 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.276 9.356 -14.116 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.641 8.736 -14.220 1.00 0.00 H new ATOM 0 HG SER A 18 -6.144 7.460 -15.460 1.00 0.00 H new ATOM 305 N SER A 22 -1.553 13.213 -5.728 1.00 0.00 N ATOM 306 CA SER A 22 -0.640 14.317 -5.459 1.00 0.00 C ATOM 307 C SER A 22 -0.501 14.548 -3.955 1.00 0.00 C ATOM 308 O SER A 22 -1.156 13.882 -3.150 1.00 0.00 O ATOM 309 CB SER A 22 -1.098 15.578 -6.203 1.00 0.00 C ATOM 310 OG SER A 22 -0.138 16.608 -6.042 1.00 0.00 O ATOM 0 HA SER A 22 0.351 14.061 -5.833 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.233 15.357 -7.262 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.064 15.906 -5.820 1.00 0.00 H new ATOM 0 HG SER A 22 -0.435 17.410 -6.521 1.00 0.00 H new ATOM 316 N SER A 23 0.391 15.468 -3.584 1.00 0.00 N ATOM 317 CA SER A 23 0.763 15.789 -2.215 1.00 0.00 C ATOM 318 C SER A 23 -0.495 16.096 -1.417 1.00 0.00 C ATOM 319 O SER A 23 -0.910 15.336 -0.539 1.00 0.00 O ATOM 320 CB SER A 23 1.711 16.993 -2.241 1.00 0.00 C ATOM 321 OG SER A 23 1.181 17.972 -3.119 1.00 0.00 O ATOM 0 H SER A 23 0.895 16.034 -4.267 1.00 0.00 H new ATOM 0 HA SER A 23 1.271 14.950 -1.740 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.824 17.406 -1.239 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.703 16.686 -2.573 1.00 0.00 H new ATOM 0 HG SER A 23 1.779 18.748 -3.142 1.00 0.00 H new ATOM 327 N ASN A 24 -1.119 17.225 -1.745 1.00 0.00 N ATOM 328 CA ASN A 24 -2.298 17.717 -1.052 1.00 0.00 C ATOM 329 C ASN A 24 -3.388 16.657 -0.981 1.00 0.00 C ATOM 330 O ASN A 24 -4.062 16.542 0.037 1.00 0.00 O ATOM 331 CB ASN A 24 -2.822 18.997 -1.712 1.00 0.00 C ATOM 332 CG ASN A 24 -1.812 20.134 -1.602 1.00 0.00 C ATOM 333 OD1 ASN A 24 -0.885 20.217 -2.398 1.00 0.00 O ATOM 334 ND2 ASN A 24 -1.969 21.008 -0.612 1.00 0.00 N ATOM 0 H ASN A 24 -0.813 17.828 -2.509 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.005 17.954 -0.029 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.041 18.803 -2.762 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.759 19.294 -1.241 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.306 21.775 -0.499 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.752 20.911 0.034 1.00 0.00 H new ATOM 341 N TYR A 25 -3.542 15.855 -2.035 1.00 0.00 N ATOM 342 CA TYR A 25 -4.499 14.773 -2.057 1.00 0.00 C ATOM 343 C TYR A 25 -4.168 13.705 -1.012 1.00 0.00 C ATOM 344 O TYR A 25 -5.069 13.177 -0.368 1.00 0.00 O ATOM 345 CB TYR A 25 -4.562 14.201 -3.474 1.00 0.00 C ATOM 346 CG TYR A 25 -5.804 14.644 -4.216 1.00 0.00 C ATOM 347 CD1 TYR A 25 -7.057 14.127 -3.839 1.00 0.00 C ATOM 348 CD2 TYR A 25 -5.725 15.622 -5.224 1.00 0.00 C ATOM 349 CE1 TYR A 25 -8.222 14.556 -4.495 1.00 0.00 C ATOM 350 CE2 TYR A 25 -6.892 16.047 -5.884 1.00 0.00 C ATOM 351 CZ TYR A 25 -8.140 15.512 -5.519 1.00 0.00 C ATOM 352 OH TYR A 25 -9.274 15.911 -6.161 1.00 0.00 O ATOM 0 H TYR A 25 -3.000 15.946 -2.895 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.485 15.153 -1.788 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.678 14.514 -4.030 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.539 13.112 -3.426 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.123 13.399 -3.044 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.768 16.046 -5.491 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.182 14.150 -4.211 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.830 16.784 -6.671 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.047 16.578 -6.842 1.00 0.00 H new ATOM 362 N CYS A 26 -2.890 13.384 -0.816 1.00 0.00 N ATOM 363 CA CYS A 26 -2.511 12.373 0.167 1.00 0.00 C ATOM 364 C CYS A 26 -2.708 12.924 1.576 1.00 0.00 C ATOM 365 O CYS A 26 -3.270 12.258 2.444 1.00 0.00 O ATOM 366 CB CYS A 26 -1.071 11.934 -0.058 1.00 0.00 C ATOM 367 SG CYS A 26 -0.401 10.822 1.194 1.00 0.00 S ATOM 0 H CYS A 26 -2.108 13.804 -1.319 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.149 11.497 0.050 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.005 11.443 -1.029 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.441 12.822 -0.106 1.00 0.00 H new ATOM 372 N ASN A 27 -2.297 14.176 1.793 1.00 0.00 N ATOM 373 CA ASN A 27 -2.542 14.867 3.059 1.00 0.00 C ATOM 374 C ASN A 27 -4.047 14.874 3.358 1.00 0.00 C ATOM 375 O ASN A 27 -4.480 14.535 4.459 1.00 0.00 O ATOM 376 CB ASN A 27 -1.970 16.290 3.033 1.00 0.00 C ATOM 377 CG ASN A 27 -0.446 16.266 3.032 1.00 0.00 C ATOM 378 OD1 ASN A 27 0.185 16.319 4.081 1.00 0.00 O ATOM 379 ND2 ASN A 27 0.162 16.145 1.855 1.00 0.00 N ATOM 0 H ASN A 27 -1.791 14.733 1.104 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.030 14.332 3.859 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.330 16.814 2.148 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.328 16.846 3.900 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.180 16.094 1.810 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.390 16.103 0.998 1.00 0.00 H new ATOM 386 N LEU A 28 -4.853 15.234 2.355 1.00 0.00 N ATOM 387 CA LEU A 28 -6.305 15.193 2.425 1.00 0.00 C ATOM 388 C LEU A 28 -6.783 13.791 2.799 1.00 0.00 C ATOM 389 O LEU A 28 -7.605 13.665 3.702 1.00 0.00 O ATOM 390 CB LEU A 28 -6.914 15.670 1.099 1.00 0.00 C ATOM 391 CG LEU A 28 -8.435 15.466 1.005 1.00 0.00 C ATOM 392 CD1 LEU A 28 -9.190 16.299 2.047 1.00 0.00 C ATOM 393 CD2 LEU A 28 -8.905 15.855 -0.401 1.00 0.00 C ATOM 0 H LEU A 28 -4.502 15.567 1.457 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.644 15.872 3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.690 16.729 0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.434 15.138 0.278 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.650 14.416 1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.261 16.125 1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.869 16.009 3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.978 17.357 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.983 15.713 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.662 16.901 -0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.404 15.228 -1.139 1.00 0.00 H new ATOM 405 N MET A 29 -6.298 12.742 2.126 1.00 0.00 N ATOM 406 CA MET A 29 -6.655 11.374 2.479 1.00 0.00 C ATOM 407 C MET A 29 -6.397 11.131 3.967 1.00 0.00 C ATOM 408 O MET A 29 -7.305 10.700 4.670 1.00 0.00 O ATOM 409 CB MET A 29 -5.918 10.347 1.605 1.00 0.00 C ATOM 410 CG MET A 29 -6.497 10.247 0.188 1.00 0.00 C ATOM 411 SD MET A 29 -8.122 9.458 0.068 1.00 0.00 S ATOM 412 CE MET A 29 -8.346 9.484 -1.724 1.00 0.00 C ATOM 0 H MET A 29 -5.658 12.819 1.335 1.00 0.00 H new ATOM 0 HA MET A 29 -7.720 11.241 2.286 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.864 10.619 1.544 1.00 0.00 H new ATOM 0 HB3 MET A 29 -5.967 9.368 2.083 1.00 0.00 H new ATOM 0 HG2 MET A 29 -6.568 11.252 -0.229 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.795 9.692 -0.435 1.00 0.00 H new ATOM 0 HE1 MET A 29 -9.305 9.032 -1.977 1.00 0.00 H new ATOM 0 HE2 MET A 29 -8.325 10.515 -2.078 1.00 0.00 H new ATOM 0 HE3 MET A 29 -7.543 8.921 -2.199 1.00 0.00 H new ATOM 422 N MET A 30 -5.192 11.434 4.462 1.00 0.00 N ATOM 423 CA MET A 30 -4.855 11.247 5.874 1.00 0.00 C ATOM 424 C MET A 30 -5.830 11.999 6.789 1.00 0.00 C ATOM 425 O MET A 30 -6.305 11.451 7.789 1.00 0.00 O ATOM 426 CB MET A 30 -3.414 11.690 6.157 1.00 0.00 C ATOM 427 CG MET A 30 -2.349 10.850 5.442 1.00 0.00 C ATOM 428 SD MET A 30 -2.382 9.074 5.788 1.00 0.00 S ATOM 429 CE MET A 30 -0.907 8.572 4.882 1.00 0.00 C ATOM 0 H MET A 30 -4.430 11.812 3.899 1.00 0.00 H new ATOM 0 HA MET A 30 -4.941 10.182 6.090 1.00 0.00 H new ATOM 0 HB2 MET A 30 -3.300 12.732 5.858 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.236 11.645 7.231 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.461 10.994 4.367 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.366 11.236 5.714 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.863 7.484 4.833 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.944 8.980 3.872 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.021 8.948 5.393 1.00 0.00 H new ATOM 439 N CYS A 31 -6.124 13.256 6.446 1.00 0.00 N ATOM 440 CA CYS A 31 -7.079 14.076 7.184 1.00 0.00 C ATOM 441 C CYS A 31 -8.462 13.426 7.211 1.00 0.00 C ATOM 442 O CYS A 31 -9.024 13.217 8.283 1.00 0.00 O ATOM 443 CB CYS A 31 -7.142 15.486 6.594 1.00 0.00 C ATOM 444 SG CYS A 31 -8.373 16.421 7.529 1.00 0.00 S ATOM 0 H CYS A 31 -5.704 13.731 5.647 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.735 14.153 8.215 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.167 15.970 6.655 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.412 15.447 5.539 1.00 0.00 H new ATOM 0 HG CYS A 31 -8.452 17.629 7.055 1.00 0.00 H new ATOM 450 N CYS A 32 -8.993 13.062 6.042 1.00 0.00 N ATOM 451 CA CYS A 32 -10.263 12.356 5.886 1.00 0.00 C ATOM 452 C CYS A 32 -10.272 11.055 6.693 1.00 0.00 C ATOM 453 O CYS A 32 -11.277 10.696 7.303 1.00 0.00 O ATOM 454 CB CYS A 32 -10.505 12.075 4.401 1.00 0.00 C ATOM 455 SG CYS A 32 -12.023 11.109 4.224 1.00 0.00 S ATOM 0 H CYS A 32 -8.536 13.257 5.151 1.00 0.00 H new ATOM 0 HA CYS A 32 -11.067 12.984 6.270 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -10.588 13.011 3.849 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -9.661 11.530 3.979 1.00 0.00 H new ATOM 0 HG CYS A 32 -12.239 10.867 2.965 1.00 0.00 H new ATOM 461 N ARG A 33 -9.128 10.372 6.736 1.00 0.00 N ATOM 462 CA ARG A 33 -8.914 9.173 7.532 1.00 0.00 C ATOM 463 C ARG A 33 -9.021 9.434 9.041 1.00 0.00 C ATOM 464 O ARG A 33 -9.158 8.483 9.808 1.00 0.00 O ATOM 465 CB ARG A 33 -7.535 8.571 7.195 1.00 0.00 C ATOM 466 CG ARG A 33 -7.613 7.151 6.628 1.00 0.00 C ATOM 467 CD ARG A 33 -8.336 6.168 7.560 1.00 0.00 C ATOM 468 NE ARG A 33 -7.879 4.793 7.332 1.00 0.00 N ATOM 469 CZ ARG A 33 -8.005 4.114 6.185 1.00 0.00 C ATOM 470 NH1 ARG A 33 -8.756 4.582 5.184 1.00 0.00 N ATOM 471 NH2 ARG A 33 -7.351 2.962 6.039 1.00 0.00 N ATOM 0 H ARG A 33 -8.304 10.649 6.202 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.705 8.468 7.278 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.032 9.215 6.474 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.921 8.561 8.096 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.128 7.178 5.668 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.604 6.786 6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.156 6.447 8.598 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.412 6.229 7.395 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.428 4.315 8.112 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.246 5.471 5.286 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.840 4.050 4.318 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.765 2.609 6.795 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.437 2.433 5.171 1.00 0.00 H new ATOM 485 N LYS A 34 -8.893 10.694 9.479 1.00 0.00 N ATOM 486 CA LYS A 34 -8.746 11.078 10.879 1.00 0.00 C ATOM 487 C LYS A 34 -7.552 10.339 11.502 1.00 0.00 C ATOM 488 O LYS A 34 -7.568 9.994 12.682 1.00 0.00 O ATOM 489 CB LYS A 34 -10.056 10.900 11.679 1.00 0.00 C ATOM 490 CG LYS A 34 -11.103 12.005 11.458 1.00 0.00 C ATOM 491 CD LYS A 34 -11.759 11.951 10.075 1.00 0.00 C ATOM 492 CE LYS A 34 -12.843 13.018 9.893 1.00 0.00 C ATOM 493 NZ LYS A 34 -13.977 12.827 10.814 1.00 0.00 N ATOM 0 H LYS A 34 -8.889 11.494 8.846 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.533 12.146 10.924 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.500 9.940 11.413 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.813 10.856 12.741 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.876 11.922 12.222 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.628 12.977 11.589 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.994 12.081 9.309 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.197 10.964 9.923 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.409 14.005 10.055 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.205 12.993 8.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.761 13.450 10.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.291 11.836 10.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.680 13.060 11.783 1.00 0.00 H new ATOM 507 N MET A 35 -6.481 10.150 10.721 1.00 0.00 N ATOM 508 CA MET A 35 -5.226 9.591 11.214 1.00 0.00 C ATOM 509 C MET A 35 -4.218 10.712 11.472 1.00 0.00 C ATOM 510 O MET A 35 -3.014 10.492 11.444 1.00 0.00 O ATOM 511 CB MET A 35 -4.714 8.525 10.237 1.00 0.00 C ATOM 512 CG MET A 35 -5.507 7.225 10.411 1.00 0.00 C ATOM 513 SD MET A 35 -4.989 5.869 9.330 1.00 0.00 S ATOM 514 CE MET A 35 -5.885 4.507 10.109 1.00 0.00 C ATOM 0 H MET A 35 -6.465 10.382 9.728 1.00 0.00 H new ATOM 0 HA MET A 35 -5.384 9.092 12.170 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.810 8.884 9.212 1.00 0.00 H new ATOM 0 HB3 MET A 35 -3.654 8.340 10.412 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.419 6.899 11.447 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.562 7.432 10.230 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.754 3.600 9.519 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.497 4.345 11.115 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.945 4.753 10.164 1.00 0.00 H new ATOM 524 N THR A 36 -4.724 11.913 11.760 1.00 0.00 N ATOM 525 CA THR A 36 -3.989 13.126 12.067 1.00 0.00 C ATOM 526 C THR A 36 -3.725 13.275 13.568 1.00 0.00 C ATOM 527 O THR A 36 -3.316 14.343 14.023 1.00 0.00 O ATOM 528 CB THR A 36 -4.834 14.278 11.507 1.00 0.00 C ATOM 529 OG1 THR A 36 -6.212 13.966 11.655 1.00 0.00 O ATOM 530 CG2 THR A 36 -4.525 14.425 10.017 1.00 0.00 C ATOM 0 H THR A 36 -5.732 12.066 11.785 1.00 0.00 H new ATOM 0 HA THR A 36 -2.997 13.112 11.615 1.00 0.00 H new ATOM 0 HB THR A 36 -4.605 15.200 12.040 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.754 14.701 11.300 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.117 15.240 9.601 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.465 14.642 9.885 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.772 13.497 9.501 1.00 0.00 H new ATOM 538 N GLN A 37 -3.948 12.212 14.344 1.00 0.00 N ATOM 539 CA GLN A 37 -3.698 12.213 15.773 1.00 0.00 C ATOM 540 C GLN A 37 -2.195 12.375 16.023 1.00 0.00 C ATOM 541 O GLN A 37 -1.422 11.432 15.864 1.00 0.00 O ATOM 542 CB GLN A 37 -4.270 10.926 16.386 1.00 0.00 C ATOM 543 CG GLN A 37 -4.249 10.978 17.919 1.00 0.00 C ATOM 544 CD GLN A 37 -4.852 9.720 18.538 1.00 0.00 C ATOM 545 OE1 GLN A 37 -4.180 8.989 19.255 1.00 0.00 O ATOM 546 NE2 GLN A 37 -6.128 9.456 18.271 1.00 0.00 N ATOM 0 H GLN A 37 -4.309 11.326 13.990 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.197 13.052 16.257 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.293 10.780 16.040 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.691 10.069 16.042 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.222 11.096 18.264 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.803 11.852 18.260 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.664 10.083 17.670 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.571 8.627 18.667 1.00 0.00 H new ATOM 555 N GLY A 38 -1.767 13.581 16.401 1.00 0.00 N ATOM 556 CA GLY A 38 -0.378 13.863 16.727 1.00 0.00 C ATOM 557 C GLY A 38 0.445 14.102 15.464 1.00 0.00 C ATOM 558 O GLY A 38 1.045 15.162 15.321 1.00 0.00 O ATOM 0 H GLY A 38 -2.382 14.390 16.488 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.323 14.740 17.372 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.044 13.029 17.287 1.00 0.00 H new ATOM 562 N LYS A 39 0.481 13.126 14.552 1.00 0.00 N ATOM 563 CA LYS A 39 1.095 13.256 13.239 1.00 0.00 C ATOM 564 C LYS A 39 0.214 12.530 12.230 1.00 0.00 C ATOM 565 O LYS A 39 -0.462 11.567 12.583 1.00 0.00 O ATOM 566 CB LYS A 39 2.501 12.659 13.225 1.00 0.00 C ATOM 567 CG LYS A 39 3.439 13.334 14.235 1.00 0.00 C ATOM 568 CD LYS A 39 4.887 12.838 14.102 1.00 0.00 C ATOM 569 CE LYS A 39 5.051 11.336 14.379 1.00 0.00 C ATOM 570 NZ LYS A 39 4.544 10.960 15.711 1.00 0.00 N ATOM 0 H LYS A 39 0.073 12.205 14.715 1.00 0.00 H new ATOM 0 HA LYS A 39 1.183 14.312 12.984 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.441 11.593 13.446 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.922 12.754 12.224 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.412 14.414 14.089 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.082 13.140 15.246 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.245 13.054 13.096 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.519 13.397 14.792 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.521 10.767 13.616 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.104 11.067 14.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.795 9.971 15.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.969 11.578 16.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.510 11.065 15.731 1.00 0.00 H new ATOM 584 N CYS A 40 0.232 12.978 10.975 1.00 0.00 N ATOM 585 CA CYS A 40 -0.658 12.477 9.930 1.00 0.00 C ATOM 586 C CYS A 40 -0.108 11.213 9.272 1.00 0.00 C ATOM 587 O CYS A 40 -0.066 11.115 8.051 1.00 0.00 O ATOM 588 CB CYS A 40 -1.079 13.606 8.972 1.00 0.00 C ATOM 589 SG CYS A 40 0.031 14.199 7.670 1.00 0.00 S ATOM 0 H CYS A 40 0.871 13.705 10.653 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.591 12.143 10.383 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.997 13.282 8.483 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.334 14.468 9.589 1.00 0.00 H new ATOM 594 N LYS A 41 0.263 10.234 10.112 1.00 0.00 N ATOM 595 CA LYS A 41 1.045 9.043 9.764 1.00 0.00 C ATOM 596 C LYS A 41 2.487 9.446 9.372 1.00 0.00 C ATOM 597 O LYS A 41 2.758 10.633 9.194 1.00 0.00 O ATOM 598 CB LYS A 41 0.338 8.192 8.687 1.00 0.00 C ATOM 599 CG LYS A 41 -1.081 7.752 9.078 1.00 0.00 C ATOM 600 CD LYS A 41 -1.143 6.703 10.202 1.00 0.00 C ATOM 601 CE LYS A 41 -0.409 5.392 9.882 1.00 0.00 C ATOM 602 NZ LYS A 41 -0.836 4.813 8.596 1.00 0.00 N ATOM 0 H LYS A 41 0.012 10.255 11.100 1.00 0.00 H new ATOM 0 HA LYS A 41 1.118 8.401 10.642 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.289 8.763 7.760 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.940 7.306 8.484 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.646 8.631 9.388 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.578 7.349 8.196 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.717 7.133 11.109 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.188 6.478 10.416 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.665 5.576 9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.590 4.672 10.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.378 3.889 8.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.869 4.691 8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.563 5.450 7.821 1.00 0.00 H new ATOM 616 N PRO A 42 3.445 8.500 9.292 1.00 0.00 N ATOM 617 CA PRO A 42 4.807 8.794 8.855 1.00 0.00 C ATOM 618 C PRO A 42 4.999 8.535 7.352 1.00 0.00 C ATOM 619 O PRO A 42 5.477 9.390 6.605 1.00 0.00 O ATOM 620 CB PRO A 42 5.695 7.888 9.709 1.00 0.00 C ATOM 621 CG PRO A 42 4.825 6.662 9.993 1.00 0.00 C ATOM 622 CD PRO A 42 3.384 7.178 9.906 1.00 0.00 C ATOM 0 HA PRO A 42 5.056 9.847 8.986 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.608 7.614 9.180 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.997 8.383 10.632 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.007 5.871 9.266 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.038 6.245 10.977 1.00 0.00 H new ATOM 0 HD2 PRO A 42 2.767 6.504 9.311 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.933 7.233 10.897 1.00 0.00 H new ATOM 630 N VAL A 43 4.634 7.336 6.894 1.00 0.00 N ATOM 631 CA VAL A 43 4.777 6.873 5.527 1.00 0.00 C ATOM 632 C VAL A 43 3.593 5.959 5.233 1.00 0.00 C ATOM 633 O VAL A 43 3.039 5.379 6.167 1.00 0.00 O ATOM 634 CB VAL A 43 6.128 6.150 5.408 1.00 0.00 C ATOM 635 CG1 VAL A 43 6.153 4.787 6.117 1.00 0.00 C ATOM 636 CG2 VAL A 43 6.560 5.976 3.948 1.00 0.00 C ATOM 0 H VAL A 43 4.211 6.634 7.501 1.00 0.00 H new ATOM 0 HA VAL A 43 4.773 7.685 4.800 1.00 0.00 H new ATOM 0 HB VAL A 43 6.840 6.800 5.916 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.135 4.331 5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.948 4.925 7.179 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.394 4.137 5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.520 5.461 3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.812 5.389 3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.656 6.955 3.478 1.00 0.00 H new ATOM 646 N ASN A 44 3.195 5.830 3.967 1.00 0.00 N ATOM 647 CA ASN A 44 2.230 4.822 3.546 1.00 0.00 C ATOM 648 C ASN A 44 2.429 4.587 2.053 1.00 0.00 C ATOM 649 O ASN A 44 2.989 5.445 1.375 1.00 0.00 O ATOM 650 CB ASN A 44 0.795 5.276 3.858 1.00 0.00 C ATOM 651 CG ASN A 44 -0.164 4.093 3.961 1.00 0.00 C ATOM 652 OD1 ASN A 44 -0.156 3.391 4.964 1.00 0.00 O ATOM 653 ND2 ASN A 44 -0.997 3.858 2.953 1.00 0.00 N ATOM 0 H ASN A 44 3.534 6.422 3.208 1.00 0.00 H new ATOM 0 HA ASN A 44 2.388 3.891 4.091 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.786 5.834 4.794 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.451 5.956 3.078 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.651 3.077 3.003 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.983 4.459 2.129 1.00 0.00 H new ATOM 660 N THR A 45 1.976 3.451 1.533 1.00 0.00 N ATOM 661 CA THR A 45 1.976 3.174 0.108 1.00 0.00 C ATOM 662 C THR A 45 0.563 2.730 -0.219 1.00 0.00 C ATOM 663 O THR A 45 0.033 1.896 0.514 1.00 0.00 O ATOM 664 CB THR A 45 3.002 2.081 -0.228 1.00 0.00 C ATOM 665 OG1 THR A 45 4.287 2.466 0.214 1.00 0.00 O ATOM 666 CG2 THR A 45 3.041 1.794 -1.736 1.00 0.00 C ATOM 0 H THR A 45 1.596 2.692 2.098 1.00 0.00 H new ATOM 0 HA THR A 45 2.259 4.047 -0.480 1.00 0.00 H new ATOM 0 HB THR A 45 2.696 1.170 0.287 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.818 2.773 -0.551 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.777 1.016 -1.939 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.058 1.460 -2.068 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.316 2.702 -2.272 1.00 0.00 H new ATOM 674 N PHE A 46 -0.031 3.279 -1.281 1.00 0.00 N ATOM 675 CA PHE A 46 -1.357 2.892 -1.740 1.00 0.00 C ATOM 676 C PHE A 46 -1.282 2.324 -3.155 1.00 0.00 C ATOM 677 O PHE A 46 -0.243 2.443 -3.799 1.00 0.00 O ATOM 678 CB PHE A 46 -2.338 4.075 -1.642 1.00 0.00 C ATOM 679 CG PHE A 46 -2.306 4.878 -0.346 1.00 0.00 C ATOM 680 CD1 PHE A 46 -1.364 5.913 -0.180 1.00 0.00 C ATOM 681 CD2 PHE A 46 -3.318 4.705 0.618 1.00 0.00 C ATOM 682 CE1 PHE A 46 -1.437 6.766 0.936 1.00 0.00 C ATOM 683 CE2 PHE A 46 -3.384 5.550 1.738 1.00 0.00 C ATOM 684 CZ PHE A 46 -2.451 6.589 1.892 1.00 0.00 C ATOM 0 H PHE A 46 0.402 4.009 -1.847 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.741 2.106 -1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.137 4.755 -2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.349 3.693 -1.782 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.583 6.052 -0.913 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -4.047 3.918 0.495 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.713 7.558 1.058 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.153 5.401 2.482 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.513 7.250 2.744 1.00 0.00 H new ATOM 694 N VAL A 47 -2.362 1.699 -3.639 1.00 0.00 N ATOM 695 CA VAL A 47 -2.423 1.097 -4.968 1.00 0.00 C ATOM 696 C VAL A 47 -3.862 1.145 -5.469 1.00 0.00 C ATOM 697 O VAL A 47 -4.774 1.064 -4.649 1.00 0.00 O ATOM 698 CB VAL A 47 -1.877 -0.345 -4.915 1.00 0.00 C ATOM 699 CG1 VAL A 47 -2.890 -1.436 -4.545 1.00 0.00 C ATOM 700 CG2 VAL A 47 -1.258 -0.726 -6.267 1.00 0.00 C ATOM 0 H VAL A 47 -3.227 1.598 -3.108 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.800 1.655 -5.668 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.145 -0.315 -4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.394 -2.406 -4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.299 -1.232 -3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.698 -1.446 -5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.876 -1.746 -6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.017 -0.660 -7.046 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.441 -0.043 -6.498 1.00 0.00 H new ATOM 710 N HIS A 48 -4.073 1.273 -6.784 1.00 0.00 N ATOM 711 CA HIS A 48 -5.411 1.247 -7.366 1.00 0.00 C ATOM 712 C HIS A 48 -5.815 -0.216 -7.604 1.00 0.00 C ATOM 713 O HIS A 48 -5.818 -1.015 -6.670 1.00 0.00 O ATOM 714 CB HIS A 48 -5.452 2.149 -8.612 1.00 0.00 C ATOM 715 CG HIS A 48 -6.818 2.387 -9.227 1.00 0.00 C ATOM 716 ND1 HIS A 48 -8.000 1.713 -8.955 1.00 0.00 N ATOM 717 CD2 HIS A 48 -7.078 3.290 -10.220 1.00 0.00 C ATOM 718 CE1 HIS A 48 -8.956 2.213 -9.755 1.00 0.00 C ATOM 719 NE2 HIS A 48 -8.416 3.163 -10.537 1.00 0.00 N ATOM 0 H HIS A 48 -3.325 1.396 -7.466 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.159 1.662 -6.691 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.023 3.116 -8.348 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.806 1.710 -9.373 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.372 3.972 -10.670 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.990 1.902 -9.768 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -8.912 3.701 -11.247 1.00 0.00 H new ATOM 728 N GLU A 49 -6.139 -0.575 -8.851 1.00 0.00 N ATOM 729 CA GLU A 49 -6.472 -1.936 -9.265 1.00 0.00 C ATOM 730 C GLU A 49 -7.700 -2.463 -8.500 1.00 0.00 C ATOM 731 O GLU A 49 -8.462 -1.673 -7.945 1.00 0.00 O ATOM 732 CB GLU A 49 -5.219 -2.832 -9.182 1.00 0.00 C ATOM 733 CG GLU A 49 -4.273 -2.631 -10.375 1.00 0.00 C ATOM 734 CD GLU A 49 -3.541 -1.290 -10.420 1.00 0.00 C ATOM 735 OE1 GLU A 49 -3.308 -0.699 -9.342 1.00 0.00 O ATOM 736 OE2 GLU A 49 -3.194 -0.889 -11.551 1.00 0.00 O ATOM 0 H GLU A 49 -6.177 0.095 -9.619 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.777 -1.947 -10.312 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.683 -2.617 -8.257 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.526 -3.877 -9.138 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.531 -3.429 -10.366 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.848 -2.741 -11.294 1.00 0.00 H new ATOM 743 N SER A 50 -7.944 -3.780 -8.525 1.00 0.00 N ATOM 744 CA SER A 50 -9.099 -4.420 -7.909 1.00 0.00 C ATOM 745 C SER A 50 -8.644 -5.643 -7.115 1.00 0.00 C ATOM 746 O SER A 50 -7.639 -6.276 -7.447 1.00 0.00 O ATOM 747 CB SER A 50 -10.115 -4.809 -8.989 1.00 0.00 C ATOM 748 OG SER A 50 -11.224 -5.459 -8.397 1.00 0.00 O ATOM 0 H SER A 50 -7.322 -4.442 -8.989 1.00 0.00 H new ATOM 0 HA SER A 50 -9.582 -3.725 -7.223 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.447 -3.920 -9.525 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.646 -5.466 -9.722 1.00 0.00 H new ATOM 0 HG SER A 50 -11.870 -5.703 -9.093 1.00 0.00 H new ATOM 754 N LEU A 51 -9.412 -5.981 -6.075 1.00 0.00 N ATOM 755 CA LEU A 51 -9.123 -7.060 -5.142 1.00 0.00 C ATOM 756 C LEU A 51 -8.870 -8.359 -5.903 1.00 0.00 C ATOM 757 O LEU A 51 -7.949 -9.102 -5.575 1.00 0.00 O ATOM 758 CB LEU A 51 -10.282 -7.171 -4.136 1.00 0.00 C ATOM 759 CG LEU A 51 -10.186 -8.383 -3.189 1.00 0.00 C ATOM 760 CD1 LEU A 51 -10.721 -8.009 -1.803 1.00 0.00 C ATOM 761 CD2 LEU A 51 -11.011 -9.566 -3.718 1.00 0.00 C ATOM 0 H LEU A 51 -10.280 -5.491 -5.857 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.213 -6.850 -4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.318 -6.260 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.221 -7.228 -4.686 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.137 -8.671 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.649 -8.872 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.132 -7.188 -1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.763 -7.701 -1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.924 -10.407 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.057 -9.272 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.638 -9.860 -4.699 1.00 0.00 H new ATOM 773 N ALA A 52 -9.670 -8.622 -6.941 1.00 0.00 N ATOM 774 CA ALA A 52 -9.503 -9.793 -7.785 1.00 0.00 C ATOM 775 C ALA A 52 -8.093 -9.858 -8.375 1.00 0.00 C ATOM 776 O ALA A 52 -7.458 -10.912 -8.359 1.00 0.00 O ATOM 777 CB ALA A 52 -10.564 -9.785 -8.890 1.00 0.00 C ATOM 0 H ALA A 52 -10.450 -8.024 -7.214 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.636 -10.686 -7.174 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.437 -10.664 -9.522 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.557 -9.801 -8.441 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.453 -8.885 -9.494 1.00 0.00 H new ATOM 783 N ASP A 53 -7.589 -8.730 -8.883 1.00 0.00 N ATOM 784 CA ASP A 53 -6.255 -8.681 -9.464 1.00 0.00 C ATOM 785 C ASP A 53 -5.241 -8.915 -8.342 1.00 0.00 C ATOM 786 O ASP A 53 -4.310 -9.695 -8.507 1.00 0.00 O ATOM 787 CB ASP A 53 -6.019 -7.349 -10.197 1.00 0.00 C ATOM 788 CG ASP A 53 -4.562 -6.891 -10.126 1.00 0.00 C ATOM 789 OD1 ASP A 53 -3.786 -7.346 -10.993 1.00 0.00 O ATOM 790 OD2 ASP A 53 -4.252 -6.099 -9.211 1.00 0.00 O ATOM 0 H ASP A 53 -8.089 -7.841 -8.901 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.140 -9.461 -10.217 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.312 -7.456 -11.241 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.659 -6.581 -9.763 1.00 0.00 H new ATOM 795 N VAL A 54 -5.421 -8.253 -7.198 1.00 0.00 N ATOM 796 CA VAL A 54 -4.470 -8.392 -6.098 1.00 0.00 C ATOM 797 C VAL A 54 -4.432 -9.859 -5.633 1.00 0.00 C ATOM 798 O VAL A 54 -3.368 -10.392 -5.321 1.00 0.00 O ATOM 799 CB VAL A 54 -4.799 -7.404 -4.966 1.00 0.00 C ATOM 800 CG1 VAL A 54 -3.840 -7.580 -3.781 1.00 0.00 C ATOM 801 CG2 VAL A 54 -4.698 -5.952 -5.457 1.00 0.00 C ATOM 0 H VAL A 54 -6.203 -7.626 -7.012 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.467 -8.135 -6.438 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.819 -7.616 -4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.097 -6.868 -2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.924 -8.595 -3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.817 -7.402 -4.112 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.935 -5.273 -4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.685 -5.756 -5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.402 -5.794 -6.274 1.00 0.00 H new ATOM 811 N LYS A 55 -5.577 -10.546 -5.608 1.00 0.00 N ATOM 812 CA LYS A 55 -5.605 -11.962 -5.313 1.00 0.00 C ATOM 813 C LYS A 55 -4.926 -12.775 -6.414 1.00 0.00 C ATOM 814 O LYS A 55 -4.143 -13.668 -6.105 1.00 0.00 O ATOM 815 CB LYS A 55 -7.047 -12.419 -5.080 1.00 0.00 C ATOM 816 CG LYS A 55 -7.525 -12.052 -3.671 1.00 0.00 C ATOM 817 CD LYS A 55 -8.888 -12.699 -3.399 1.00 0.00 C ATOM 818 CE LYS A 55 -9.285 -12.515 -1.931 1.00 0.00 C ATOM 819 NZ LYS A 55 -10.608 -13.103 -1.657 1.00 0.00 N ATOM 0 H LYS A 55 -6.493 -10.135 -5.790 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.039 -12.137 -4.398 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.701 -11.958 -5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.116 -13.498 -5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.798 -12.389 -2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.600 -10.969 -3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.644 -12.253 -4.045 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.848 -13.761 -3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.538 -12.981 -1.289 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.299 -11.453 -1.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.849 -12.963 -0.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.324 -12.641 -2.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.586 -14.121 -1.869 1.00 0.00 H new ATOM 833 N ALA A 56 -5.184 -12.470 -7.689 1.00 0.00 N ATOM 834 CA ALA A 56 -4.455 -13.117 -8.774 1.00 0.00 C ATOM 835 C ALA A 56 -2.949 -13.012 -8.524 1.00 0.00 C ATOM 836 O ALA A 56 -2.244 -14.013 -8.566 1.00 0.00 O ATOM 837 CB ALA A 56 -4.857 -12.534 -10.132 1.00 0.00 C ATOM 0 H ALA A 56 -5.882 -11.789 -7.989 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.718 -14.175 -8.798 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.298 -13.035 -10.923 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.925 -12.685 -10.291 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.635 -11.467 -10.150 1.00 0.00 H new ATOM 843 N VAL A 57 -2.458 -11.814 -8.195 1.00 0.00 N ATOM 844 CA VAL A 57 -1.072 -11.603 -7.794 1.00 0.00 C ATOM 845 C VAL A 57 -0.695 -12.517 -6.621 1.00 0.00 C ATOM 846 O VAL A 57 0.311 -13.224 -6.687 1.00 0.00 O ATOM 847 CB VAL A 57 -0.838 -10.116 -7.478 1.00 0.00 C ATOM 848 CG1 VAL A 57 0.556 -9.876 -6.886 1.00 0.00 C ATOM 849 CG2 VAL A 57 -0.973 -9.270 -8.753 1.00 0.00 C ATOM 0 H VAL A 57 -3.017 -10.961 -8.201 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.415 -11.872 -8.621 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.592 -9.824 -6.747 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.684 -8.814 -6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.662 -10.444 -5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.315 -10.199 -7.599 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.805 -8.220 -8.513 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.236 -9.597 -9.486 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.974 -9.392 -9.166 1.00 0.00 H new ATOM 859 N CYS A 58 -1.504 -12.525 -5.557 1.00 0.00 N ATOM 860 CA CYS A 58 -1.287 -13.381 -4.393 1.00 0.00 C ATOM 861 C CYS A 58 -1.086 -14.846 -4.797 1.00 0.00 C ATOM 862 O CYS A 58 -0.349 -15.569 -4.134 1.00 0.00 O ATOM 863 CB CYS A 58 -2.452 -13.259 -3.405 1.00 0.00 C ATOM 864 SG CYS A 58 -2.250 -14.200 -1.878 1.00 0.00 S ATOM 0 H CYS A 58 -2.332 -11.934 -5.481 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.374 -13.040 -3.905 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.587 -12.207 -3.152 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.366 -13.588 -3.900 1.00 0.00 H new ATOM 869 N SER A 59 -1.718 -15.287 -5.892 1.00 0.00 N ATOM 870 CA SER A 59 -1.581 -16.645 -6.403 1.00 0.00 C ATOM 871 C SER A 59 -0.829 -16.735 -7.738 1.00 0.00 C ATOM 872 O SER A 59 -0.964 -17.737 -8.437 1.00 0.00 O ATOM 873 CB SER A 59 -2.977 -17.275 -6.478 1.00 0.00 C ATOM 874 OG SER A 59 -3.857 -16.446 -7.214 1.00 0.00 O ATOM 0 H SER A 59 -2.342 -14.702 -6.448 1.00 0.00 H new ATOM 0 HA SER A 59 -0.954 -17.208 -5.711 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.915 -18.257 -6.948 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.368 -17.428 -5.472 1.00 0.00 H new ATOM 0 HG SER A 59 -4.013 -15.614 -6.720 1.00 0.00 H new ATOM 880 N GLN A 60 -0.003 -15.741 -8.084 1.00 0.00 N ATOM 881 CA GLN A 60 0.733 -15.757 -9.346 1.00 0.00 C ATOM 882 C GLN A 60 2.040 -16.529 -9.212 1.00 0.00 C ATOM 883 O GLN A 60 2.186 -17.608 -9.783 1.00 0.00 O ATOM 884 CB GLN A 60 0.980 -14.338 -9.894 1.00 0.00 C ATOM 885 CG GLN A 60 -0.097 -13.894 -10.897 1.00 0.00 C ATOM 886 CD GLN A 60 0.274 -14.219 -12.343 1.00 0.00 C ATOM 887 OE1 GLN A 60 0.461 -13.319 -13.156 1.00 0.00 O ATOM 888 NE2 GLN A 60 0.392 -15.496 -12.695 1.00 0.00 N ATOM 0 H GLN A 60 0.170 -14.918 -7.507 1.00 0.00 H new ATOM 0 HA GLN A 60 0.107 -16.275 -10.072 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.010 -13.632 -9.064 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.957 -14.304 -10.377 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.040 -14.381 -10.650 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.257 -12.820 -10.800 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.233 -16.232 -12.006 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.641 -15.740 -13.653 1.00 0.00 H new ATOM 897 N LYS A 61 3.014 -15.943 -8.514 1.00 0.00 N ATOM 898 CA LYS A 61 4.386 -16.429 -8.521 1.00 0.00 C ATOM 899 C LYS A 61 5.039 -16.122 -7.179 1.00 0.00 C ATOM 900 O LYS A 61 5.473 -14.998 -6.926 1.00 0.00 O ATOM 901 CB LYS A 61 5.114 -15.791 -9.708 1.00 0.00 C ATOM 902 CG LYS A 61 6.437 -16.446 -10.128 1.00 0.00 C ATOM 903 CD LYS A 61 7.584 -16.153 -9.153 1.00 0.00 C ATOM 904 CE LYS A 61 8.945 -16.560 -9.729 1.00 0.00 C ATOM 905 NZ LYS A 61 9.370 -15.666 -10.822 1.00 0.00 N ATOM 0 H LYS A 61 2.870 -15.119 -7.930 1.00 0.00 H new ATOM 0 HA LYS A 61 4.430 -17.511 -8.647 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.441 -15.799 -10.566 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.311 -14.746 -9.467 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.296 -17.524 -10.201 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.712 -16.092 -11.122 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.595 -15.089 -8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.411 -16.687 -8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.693 -16.546 -8.937 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.891 -17.584 -10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.374 -15.831 -11.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.800 -15.859 -11.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.236 -14.676 -10.533 1.00 0.00 H new ATOM 919 N LYS A 62 5.096 -17.153 -6.337 1.00 0.00 N ATOM 920 CA LYS A 62 5.785 -17.159 -5.056 1.00 0.00 C ATOM 921 C LYS A 62 7.270 -16.872 -5.301 1.00 0.00 C ATOM 922 O LYS A 62 7.938 -17.663 -5.962 1.00 0.00 O ATOM 923 CB LYS A 62 5.556 -18.535 -4.404 1.00 0.00 C ATOM 924 CG LYS A 62 5.929 -18.642 -2.917 1.00 0.00 C ATOM 925 CD LYS A 62 7.433 -18.480 -2.670 1.00 0.00 C ATOM 926 CE LYS A 62 7.848 -19.034 -1.305 1.00 0.00 C ATOM 927 NZ LYS A 62 9.269 -18.748 -1.034 1.00 0.00 N ATOM 0 H LYS A 62 4.642 -18.043 -6.542 1.00 0.00 H new ATOM 0 HA LYS A 62 5.406 -16.391 -4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.504 -18.798 -4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.130 -19.278 -4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.389 -17.880 -2.356 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.604 -19.610 -2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.988 -18.994 -3.455 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.700 -17.425 -2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.228 -18.592 -0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.677 -20.110 -1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.529 -19.132 -0.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.858 -19.190 -1.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.423 -17.720 -1.039 1.00 0.00 H new ATOM 941 N VAL A 63 7.788 -15.760 -4.772 1.00 0.00 N ATOM 942 CA VAL A 63 9.209 -15.442 -4.801 1.00 0.00 C ATOM 943 C VAL A 63 9.805 -15.646 -3.411 1.00 0.00 C ATOM 944 O VAL A 63 9.144 -15.434 -2.394 1.00 0.00 O ATOM 945 CB VAL A 63 9.463 -14.009 -5.303 1.00 0.00 C ATOM 946 CG1 VAL A 63 9.028 -13.856 -6.762 1.00 0.00 C ATOM 947 CG2 VAL A 63 8.769 -12.933 -4.459 1.00 0.00 C ATOM 0 H VAL A 63 7.222 -15.050 -4.307 1.00 0.00 H new ATOM 0 HA VAL A 63 9.698 -16.116 -5.505 1.00 0.00 H new ATOM 0 HB VAL A 63 10.538 -13.855 -5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.218 -12.835 -7.093 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.592 -14.550 -7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.964 -14.074 -6.849 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.992 -11.948 -4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.692 -13.097 -4.474 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.130 -12.987 -3.432 1.00 0.00 H new ATOM 957 N THR A 64 11.074 -16.042 -3.361 1.00 0.00 N ATOM 958 CA THR A 64 11.821 -16.061 -2.119 1.00 0.00 C ATOM 959 C THR A 64 12.110 -14.608 -1.748 1.00 0.00 C ATOM 960 O THR A 64 13.010 -13.984 -2.307 1.00 0.00 O ATOM 961 CB THR A 64 13.095 -16.893 -2.285 1.00 0.00 C ATOM 962 OG1 THR A 64 12.764 -18.124 -2.899 1.00 0.00 O ATOM 963 CG2 THR A 64 13.764 -17.164 -0.935 1.00 0.00 C ATOM 0 H THR A 64 11.604 -16.355 -4.175 1.00 0.00 H new ATOM 0 HA THR A 64 11.256 -16.530 -1.313 1.00 0.00 H new ATOM 0 HB THR A 64 13.795 -16.333 -2.904 1.00 0.00 H new ATOM 0 HG1 THR A 64 13.575 -18.662 -3.011 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.666 -17.757 -1.088 1.00 0.00 H new ATOM 0 HG22 THR A 64 14.028 -16.218 -0.463 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.075 -17.711 -0.291 1.00 0.00 H new ATOM 971 N CYS A 65 11.300 -14.066 -0.841 1.00 0.00 N ATOM 972 CA CYS A 65 11.405 -12.710 -0.334 1.00 0.00 C ATOM 973 C CYS A 65 12.837 -12.426 0.119 1.00 0.00 C ATOM 974 O CYS A 65 13.523 -13.346 0.573 1.00 0.00 O ATOM 975 CB CYS A 65 10.471 -12.555 0.867 1.00 0.00 C ATOM 976 SG CYS A 65 8.775 -13.160 0.675 1.00 0.00 S ATOM 0 H CYS A 65 10.525 -14.584 -0.427 1.00 0.00 H new ATOM 0 HA CYS A 65 11.131 -12.011 -1.125 1.00 0.00 H new ATOM 0 HB2 CYS A 65 10.921 -13.072 1.715 1.00 0.00 H new ATOM 0 HB3 CYS A 65 10.426 -11.497 1.126 1.00 0.00 H new ATOM 981 N LYS A 66 13.271 -11.159 0.084 1.00 0.00 N ATOM 982 CA LYS A 66 14.629 -10.735 0.449 1.00 0.00 C ATOM 983 C LYS A 66 14.830 -10.676 1.972 1.00 0.00 C ATOM 984 O LYS A 66 15.312 -9.698 2.537 1.00 0.00 O ATOM 985 CB LYS A 66 14.972 -9.406 -0.232 1.00 0.00 C ATOM 986 CG LYS A 66 14.963 -9.547 -1.758 1.00 0.00 C ATOM 987 CD LYS A 66 15.541 -8.280 -2.398 1.00 0.00 C ATOM 988 CE LYS A 66 15.588 -8.426 -3.922 1.00 0.00 C ATOM 989 NZ LYS A 66 16.199 -7.243 -4.552 1.00 0.00 N ATOM 0 H LYS A 66 12.675 -10.384 -0.205 1.00 0.00 H new ATOM 0 HA LYS A 66 15.326 -11.490 0.085 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.254 -8.644 0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 66 15.954 -9.068 0.099 1.00 0.00 H new ATOM 0 HG2 LYS A 66 15.549 -10.416 -2.056 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.945 -9.713 -2.111 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.932 -7.418 -2.127 1.00 0.00 H new ATOM 0 HD3 LYS A 66 16.544 -8.095 -2.013 1.00 0.00 H new ATOM 0 HE2 LYS A 66 16.157 -9.317 -4.187 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.578 -8.566 -4.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.217 -7.370 -5.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.641 -6.397 -4.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.171 -7.125 -4.200 1.00 0.00 H new ATOM 1003 N ASP A 67 14.453 -11.778 2.606 1.00 0.00 N ATOM 1004 CA ASP A 67 14.511 -12.128 4.003 1.00 0.00 C ATOM 1005 C ASP A 67 14.582 -13.653 4.186 1.00 0.00 C ATOM 1006 O ASP A 67 15.053 -14.113 5.222 1.00 0.00 O ATOM 1007 CB ASP A 67 13.283 -11.549 4.698 1.00 0.00 C ATOM 1008 CG ASP A 67 11.948 -12.002 4.116 1.00 0.00 C ATOM 1009 OD1 ASP A 67 11.622 -13.199 4.277 1.00 0.00 O ATOM 1010 OD2 ASP A 67 11.277 -11.136 3.516 1.00 0.00 O ATOM 0 H ASP A 67 14.046 -12.545 2.071 1.00 0.00 H new ATOM 0 HA ASP A 67 15.414 -11.711 4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.316 -11.823 5.752 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.334 -10.461 4.650 1.00 0.00 H new ATOM 1015 N GLY A 68 14.113 -14.447 3.210 1.00 0.00 N ATOM 1016 CA GLY A 68 14.150 -15.902 3.279 1.00 0.00 C ATOM 1017 C GLY A 68 13.370 -16.476 4.466 1.00 0.00 C ATOM 1018 O GLY A 68 13.731 -17.534 4.976 1.00 0.00 O ATOM 0 H GLY A 68 13.697 -14.088 2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.744 -16.312 2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 68 15.188 -16.229 3.344 1.00 0.00 H new ATOM 1022 N GLN A 69 12.295 -15.799 4.884 1.00 0.00 N ATOM 1023 CA GLN A 69 11.436 -16.210 5.986 1.00 0.00 C ATOM 1024 C GLN A 69 9.995 -16.343 5.513 1.00 0.00 C ATOM 1025 O GLN A 69 9.358 -17.370 5.744 1.00 0.00 O ATOM 1026 CB GLN A 69 11.520 -15.179 7.120 1.00 0.00 C ATOM 1027 CG GLN A 69 10.584 -15.470 8.308 1.00 0.00 C ATOM 1028 CD GLN A 69 10.813 -16.835 8.953 1.00 0.00 C ATOM 1029 OE1 GLN A 69 11.480 -16.936 9.977 1.00 0.00 O ATOM 1030 NE2 GLN A 69 10.249 -17.898 8.384 1.00 0.00 N ATOM 0 H GLN A 69 11.995 -14.926 4.449 1.00 0.00 H new ATOM 0 HA GLN A 69 11.774 -17.179 6.353 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.547 -15.137 7.483 1.00 0.00 H new ATOM 0 HB3 GLN A 69 11.284 -14.194 6.718 1.00 0.00 H new ATOM 0 HG2 GLN A 69 10.718 -14.695 9.063 1.00 0.00 H new ATOM 0 HG3 GLN A 69 9.550 -15.408 7.968 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.699 -17.789 7.532 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.367 -18.822 8.800 1.00 0.00 H new ATOM 1039 N THR A 70 9.458 -15.268 4.945 1.00 0.00 N ATOM 1040 CA THR A 70 8.072 -15.165 4.556 1.00 0.00 C ATOM 1041 C THR A 70 7.858 -15.732 3.154 1.00 0.00 C ATOM 1042 O THR A 70 8.789 -15.947 2.377 1.00 0.00 O ATOM 1043 CB THR A 70 7.671 -13.687 4.633 1.00 0.00 C ATOM 1044 OG1 THR A 70 8.723 -12.904 4.104 1.00 0.00 O ATOM 1045 CG2 THR A 70 7.434 -13.266 6.086 1.00 0.00 C ATOM 0 H THR A 70 9.997 -14.426 4.741 1.00 0.00 H new ATOM 0 HA THR A 70 7.444 -15.751 5.228 1.00 0.00 H new ATOM 0 HB THR A 70 6.752 -13.541 4.066 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.731 -12.984 3.127 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.151 -12.214 6.118 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.635 -13.871 6.514 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.348 -13.413 6.661 1.00 0.00 H new ATOM 1053 N ASN A 71 6.585 -15.950 2.853 1.00 0.00 N ATOM 1054 CA ASN A 71 6.037 -16.280 1.554 1.00 0.00 C ATOM 1055 C ASN A 71 5.459 -14.984 0.991 1.00 0.00 C ATOM 1056 O ASN A 71 4.558 -14.387 1.578 1.00 0.00 O ATOM 1057 CB ASN A 71 4.940 -17.349 1.707 1.00 0.00 C ATOM 1058 CG ASN A 71 3.793 -16.881 2.610 1.00 0.00 C ATOM 1059 OD1 ASN A 71 4.030 -16.489 3.751 1.00 0.00 O ATOM 1060 ND2 ASN A 71 2.559 -16.886 2.113 1.00 0.00 N ATOM 0 H ASN A 71 5.859 -15.896 3.567 1.00 0.00 H new ATOM 0 HA ASN A 71 6.796 -16.687 0.886 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.544 -17.604 0.724 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.377 -18.258 2.120 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.779 -16.559 2.682 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.393 -17.217 1.163 1.00 0.00 H new ATOM 1067 N CYS A 72 5.998 -14.527 -0.133 1.00 0.00 N ATOM 1068 CA CYS A 72 5.473 -13.384 -0.860 1.00 0.00 C ATOM 1069 C CYS A 72 5.467 -13.692 -2.346 1.00 0.00 C ATOM 1070 O CYS A 72 6.169 -14.594 -2.800 1.00 0.00 O ATOM 1071 CB CYS A 72 6.215 -12.081 -0.528 1.00 0.00 C ATOM 1072 SG CYS A 72 7.977 -12.076 -0.907 1.00 0.00 S ATOM 0 H CYS A 72 6.820 -14.946 -0.567 1.00 0.00 H new ATOM 0 HA CYS A 72 4.446 -13.211 -0.539 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.741 -11.264 -1.073 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.089 -11.871 0.534 1.00 0.00 H new ATOM 1077 N TYR A 73 4.603 -12.989 -3.079 1.00 0.00 N ATOM 1078 CA TYR A 73 4.221 -13.301 -4.443 1.00 0.00 C ATOM 1079 C TYR A 73 4.375 -12.048 -5.295 1.00 0.00 C ATOM 1080 O TYR A 73 3.863 -10.989 -4.927 1.00 0.00 O ATOM 1081 CB TYR A 73 2.776 -13.823 -4.462 1.00 0.00 C ATOM 1082 CG TYR A 73 2.508 -14.924 -3.451 1.00 0.00 C ATOM 1083 CD1 TYR A 73 2.258 -14.590 -2.108 1.00 0.00 C ATOM 1084 CD2 TYR A 73 2.589 -16.278 -3.825 1.00 0.00 C ATOM 1085 CE1 TYR A 73 2.239 -15.589 -1.126 1.00 0.00 C ATOM 1086 CE2 TYR A 73 2.460 -17.286 -2.852 1.00 0.00 C ATOM 1087 CZ TYR A 73 2.299 -16.939 -1.500 1.00 0.00 C ATOM 1088 OH TYR A 73 2.235 -17.903 -0.537 1.00 0.00 O ATOM 0 H TYR A 73 4.136 -12.157 -2.719 1.00 0.00 H new ATOM 0 HA TYR A 73 4.863 -14.080 -4.854 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.097 -12.992 -4.269 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.548 -14.196 -5.460 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.080 -13.561 -1.833 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.750 -16.544 -4.859 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.178 -15.320 -0.082 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.485 -18.325 -3.144 1.00 0.00 H new ATOM 0 HH TYR A 73 2.288 -18.788 -0.956 1.00 0.00 H new ATOM 1098 N GLN A 74 5.130 -12.159 -6.390 1.00 0.00 N ATOM 1099 CA GLN A 74 5.354 -11.072 -7.330 1.00 0.00 C ATOM 1100 C GLN A 74 4.150 -10.845 -8.239 1.00 0.00 C ATOM 1101 O GLN A 74 3.430 -11.775 -8.598 1.00 0.00 O ATOM 1102 CB GLN A 74 6.632 -11.347 -8.134 1.00 0.00 C ATOM 1103 CG GLN A 74 6.738 -10.555 -9.441 1.00 0.00 C ATOM 1104 CD GLN A 74 8.067 -10.716 -10.164 1.00 0.00 C ATOM 1105 OE1 GLN A 74 8.955 -11.441 -9.726 1.00 0.00 O ATOM 1106 NE2 GLN A 74 8.205 -10.032 -11.294 1.00 0.00 N ATOM 0 H GLN A 74 5.608 -13.022 -6.648 1.00 0.00 H new ATOM 0 HA GLN A 74 5.485 -10.148 -6.767 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.496 -11.115 -7.511 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.681 -12.412 -8.363 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.935 -10.868 -10.108 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.580 -9.498 -9.226 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.445 -9.439 -11.627 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.071 -10.100 -11.829 1.00 0.00 H new ATOM 1115 N SER A 75 4.010 -9.590 -8.664 1.00 0.00 N ATOM 1116 CA SER A 75 3.106 -9.179 -9.725 1.00 0.00 C ATOM 1117 C SER A 75 3.803 -9.326 -11.071 1.00 0.00 C ATOM 1118 O SER A 75 4.934 -8.868 -11.248 1.00 0.00 O ATOM 1119 CB SER A 75 2.634 -7.738 -9.537 1.00 0.00 C ATOM 1120 OG SER A 75 1.374 -7.600 -10.155 1.00 0.00 O ATOM 0 H SER A 75 4.539 -8.814 -8.266 1.00 0.00 H new ATOM 0 HA SER A 75 2.227 -9.822 -9.690 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.565 -7.496 -8.476 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.350 -7.044 -9.976 1.00 0.00 H new ATOM 0 HG SER A 75 1.232 -6.663 -10.403 1.00 0.00 H new ATOM 1126 N LYS A 76 3.116 -9.947 -12.028 1.00 0.00 N ATOM 1127 CA LYS A 76 3.592 -10.071 -13.393 1.00 0.00 C ATOM 1128 C LYS A 76 3.519 -8.732 -14.128 1.00 0.00 C ATOM 1129 O LYS A 76 4.255 -8.531 -15.091 1.00 0.00 O ATOM 1130 CB LYS A 76 2.788 -11.184 -14.077 1.00 0.00 C ATOM 1131 CG LYS A 76 3.389 -11.627 -15.415 1.00 0.00 C ATOM 1132 CD LYS A 76 2.632 -12.861 -15.919 1.00 0.00 C ATOM 1133 CE LYS A 76 3.230 -13.361 -17.238 1.00 0.00 C ATOM 1134 NZ LYS A 76 2.532 -14.567 -17.716 1.00 0.00 N ATOM 0 H LYS A 76 2.206 -10.380 -11.870 1.00 0.00 H new ATOM 0 HA LYS A 76 4.646 -10.347 -13.410 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.730 -12.044 -13.410 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.767 -10.838 -14.241 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.320 -10.820 -16.144 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.447 -11.858 -15.294 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.677 -13.652 -15.171 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.580 -12.615 -16.061 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.163 -12.576 -17.991 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.289 -13.581 -17.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.958 -14.883 -18.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.618 -15.322 -17.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.527 -14.348 -17.870 1.00 0.00 H new ATOM 1148 N SER A 77 2.662 -7.816 -13.665 1.00 0.00 N ATOM 1149 CA SER A 77 2.473 -6.510 -14.260 1.00 0.00 C ATOM 1150 C SER A 77 2.896 -5.427 -13.271 1.00 0.00 C ATOM 1151 O SER A 77 3.008 -5.681 -12.072 1.00 0.00 O ATOM 1152 CB SER A 77 0.995 -6.350 -14.623 1.00 0.00 C ATOM 1153 OG SER A 77 0.584 -7.414 -15.461 1.00 0.00 O ATOM 0 H SER A 77 2.073 -7.976 -12.848 1.00 0.00 H new ATOM 0 HA SER A 77 3.083 -6.414 -15.158 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.389 -6.335 -13.717 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.837 -5.397 -15.128 1.00 0.00 H new ATOM 0 HG SER A 77 -0.363 -7.305 -15.687 1.00 0.00 H new ATOM 1159 N THR A 78 3.112 -4.209 -13.765 1.00 0.00 N ATOM 1160 CA THR A 78 3.330 -3.035 -12.948 1.00 0.00 C ATOM 1161 C THR A 78 1.974 -2.410 -12.603 1.00 0.00 C ATOM 1162 O THR A 78 1.036 -2.473 -13.400 1.00 0.00 O ATOM 1163 CB THR A 78 4.213 -2.079 -13.761 1.00 0.00 C ATOM 1164 OG1 THR A 78 3.647 -1.909 -15.047 1.00 0.00 O ATOM 1165 CG2 THR A 78 5.619 -2.652 -13.968 1.00 0.00 C ATOM 0 H THR A 78 3.139 -4.016 -14.766 1.00 0.00 H new ATOM 0 HA THR A 78 3.828 -3.272 -12.008 1.00 0.00 H new ATOM 0 HB THR A 78 4.275 -1.140 -13.211 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.205 -1.298 -15.572 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.217 -1.949 -14.548 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.091 -2.817 -12.999 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.551 -3.598 -14.504 1.00 0.00 H new ATOM 1173 N MET A 79 1.865 -1.820 -11.410 1.00 0.00 N ATOM 1174 CA MET A 79 0.683 -1.114 -10.947 1.00 0.00 C ATOM 1175 C MET A 79 1.117 0.270 -10.485 1.00 0.00 C ATOM 1176 O MET A 79 2.247 0.434 -10.023 1.00 0.00 O ATOM 1177 CB MET A 79 0.014 -1.868 -9.788 1.00 0.00 C ATOM 1178 CG MET A 79 -0.723 -3.132 -10.241 1.00 0.00 C ATOM 1179 SD MET A 79 0.267 -4.552 -10.760 1.00 0.00 S ATOM 1180 CE MET A 79 -1.069 -5.712 -11.124 1.00 0.00 C ATOM 0 H MET A 79 2.621 -1.824 -10.726 1.00 0.00 H new ATOM 0 HA MET A 79 -0.043 -1.040 -11.756 1.00 0.00 H new ATOM 0 HB2 MET A 79 0.772 -2.140 -9.053 1.00 0.00 H new ATOM 0 HB3 MET A 79 -0.690 -1.203 -9.288 1.00 0.00 H new ATOM 0 HG2 MET A 79 -1.366 -3.455 -9.422 1.00 0.00 H new ATOM 0 HG3 MET A 79 -1.375 -2.859 -11.070 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.647 -6.658 -11.463 1.00 0.00 H new ATOM 0 HE2 MET A 79 -1.660 -5.880 -10.224 1.00 0.00 H new ATOM 0 HE3 MET A 79 -1.707 -5.299 -11.905 1.00 0.00 H new ATOM 1190 N ARG A 80 0.221 1.255 -10.605 1.00 0.00 N ATOM 1191 CA ARG A 80 0.433 2.588 -10.069 1.00 0.00 C ATOM 1192 C ARG A 80 0.407 2.530 -8.540 1.00 0.00 C ATOM 1193 O ARG A 80 -0.640 2.742 -7.928 1.00 0.00 O ATOM 1194 CB ARG A 80 -0.590 3.582 -10.648 1.00 0.00 C ATOM 1195 CG ARG A 80 -2.073 3.236 -10.409 1.00 0.00 C ATOM 1196 CD ARG A 80 -2.854 3.028 -11.711 1.00 0.00 C ATOM 1197 NE ARG A 80 -2.546 1.723 -12.310 1.00 0.00 N ATOM 1198 CZ ARG A 80 -1.707 1.468 -13.324 1.00 0.00 C ATOM 1199 NH1 ARG A 80 -1.088 2.456 -13.977 1.00 0.00 N ATOM 1200 NH2 ARG A 80 -1.488 0.195 -13.661 1.00 0.00 N ATOM 0 H ARG A 80 -0.674 1.141 -11.081 1.00 0.00 H new ATOM 0 HA ARG A 80 1.414 2.956 -10.370 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -0.393 4.566 -10.222 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.424 3.661 -11.722 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.137 2.331 -9.804 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.540 4.037 -9.835 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -3.923 3.097 -11.512 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.609 3.822 -12.416 1.00 0.00 H new ATOM 0 HE ARG A 80 -3.026 0.918 -11.908 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.250 3.426 -13.707 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.453 2.240 -14.746 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.954 -0.555 -13.151 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.854 -0.028 -14.429 1.00 0.00 H new ATOM 1214 N ILE A 81 1.550 2.242 -7.917 1.00 0.00 N ATOM 1215 CA ILE A 81 1.671 2.362 -6.480 1.00 0.00 C ATOM 1216 C ILE A 81 1.989 3.819 -6.150 1.00 0.00 C ATOM 1217 O ILE A 81 2.878 4.435 -6.741 1.00 0.00 O ATOM 1218 CB ILE A 81 2.701 1.395 -5.877 1.00 0.00 C ATOM 1219 CG1 ILE A 81 3.940 1.208 -6.760 1.00 0.00 C ATOM 1220 CG2 ILE A 81 2.052 0.045 -5.549 1.00 0.00 C ATOM 1221 CD1 ILE A 81 5.114 0.583 -6.002 1.00 0.00 C ATOM 0 H ILE A 81 2.397 1.926 -8.390 1.00 0.00 H new ATOM 0 HA ILE A 81 0.724 2.075 -6.022 1.00 0.00 H new ATOM 0 HB ILE A 81 3.051 1.852 -4.952 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.684 0.576 -7.610 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.245 2.174 -7.162 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.800 -0.624 -5.123 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.246 0.194 -4.830 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.648 -0.395 -6.460 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.964 0.473 -6.675 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.392 1.227 -5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.822 -0.397 -5.623 1.00 0.00 H new ATOM 1233 N THR A 82 1.228 4.358 -5.205 1.00 0.00 N ATOM 1234 CA THR A 82 1.306 5.723 -4.733 1.00 0.00 C ATOM 1235 C THR A 82 2.040 5.684 -3.400 1.00 0.00 C ATOM 1236 O THR A 82 1.422 5.474 -2.356 1.00 0.00 O ATOM 1237 CB THR A 82 -0.113 6.300 -4.656 1.00 0.00 C ATOM 1238 OG1 THR A 82 -0.703 6.183 -5.935 1.00 0.00 O ATOM 1239 CG2 THR A 82 -0.102 7.776 -4.255 1.00 0.00 C ATOM 0 H THR A 82 0.504 3.822 -4.727 1.00 0.00 H new ATOM 0 HA THR A 82 1.859 6.383 -5.401 1.00 0.00 H new ATOM 0 HB THR A 82 -0.674 5.749 -3.901 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.613 6.545 -5.910 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.125 8.149 -4.211 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.366 7.884 -3.276 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.462 8.349 -4.991 1.00 0.00 H new ATOM 1247 N ASP A 83 3.363 5.839 -3.448 1.00 0.00 N ATOM 1248 CA ASP A 83 4.219 5.909 -2.282 1.00 0.00 C ATOM 1249 C ASP A 83 4.113 7.307 -1.707 1.00 0.00 C ATOM 1250 O ASP A 83 4.396 8.269 -2.417 1.00 0.00 O ATOM 1251 CB ASP A 83 5.665 5.579 -2.670 1.00 0.00 C ATOM 1252 CG ASP A 83 5.838 4.087 -2.926 1.00 0.00 C ATOM 1253 OD1 ASP A 83 5.794 3.338 -1.926 1.00 0.00 O ATOM 1254 OD2 ASP A 83 5.990 3.721 -4.111 1.00 0.00 O ATOM 0 H ASP A 83 3.875 5.921 -4.327 1.00 0.00 H new ATOM 0 HA ASP A 83 3.907 5.181 -1.533 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.942 6.139 -3.563 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.339 5.895 -1.874 1.00 0.00 H new ATOM 1259 N CYS A 84 3.689 7.425 -0.448 1.00 0.00 N ATOM 1260 CA CYS A 84 3.484 8.699 0.219 1.00 0.00 C ATOM 1261 C CYS A 84 4.370 8.795 1.466 1.00 0.00 C ATOM 1262 O CYS A 84 4.357 7.861 2.270 1.00 0.00 O ATOM 1263 CB CYS A 84 1.996 8.904 0.532 1.00 0.00 C ATOM 1264 SG CYS A 84 1.572 10.656 0.558 1.00 0.00 S ATOM 0 H CYS A 84 3.476 6.620 0.142 1.00 0.00 H new ATOM 0 HA CYS A 84 3.782 9.510 -0.446 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.390 8.391 -0.215 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.759 8.455 1.497 1.00 0.00 H new ATOM 1269 N ARG A 85 5.154 9.876 1.638 1.00 0.00 N ATOM 1270 CA ARG A 85 6.096 10.002 2.760 1.00 0.00 C ATOM 1271 C ARG A 85 6.041 11.402 3.381 1.00 0.00 C ATOM 1272 O ARG A 85 5.827 12.367 2.655 1.00 0.00 O ATOM 1273 CB ARG A 85 7.505 9.660 2.259 1.00 0.00 C ATOM 1274 CG ARG A 85 8.527 9.580 3.401 1.00 0.00 C ATOM 1275 CD ARG A 85 9.861 9.047 2.871 1.00 0.00 C ATOM 1276 NE ARG A 85 10.846 8.930 3.953 1.00 0.00 N ATOM 1277 CZ ARG A 85 12.083 8.434 3.804 1.00 0.00 C ATOM 1278 NH1 ARG A 85 12.504 8.019 2.605 1.00 0.00 N ATOM 1279 NH2 ARG A 85 12.895 8.357 4.864 1.00 0.00 N ATOM 0 H ARG A 85 5.151 10.678 1.008 1.00 0.00 H new ATOM 0 HA ARG A 85 5.817 9.304 3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.479 8.707 1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.825 10.414 1.540 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.669 10.566 3.843 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.153 8.928 4.190 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.709 8.073 2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.242 9.714 2.098 1.00 0.00 H new ATOM 0 HE ARG A 85 10.571 9.248 4.882 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.883 8.079 1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.446 7.643 2.497 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.572 8.674 5.778 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.837 7.981 4.758 1.00 0.00 H new ATOM 1293 N GLU A 86 6.198 11.519 4.708 1.00 0.00 N ATOM 1294 CA GLU A 86 6.079 12.770 5.463 1.00 0.00 C ATOM 1295 C GLU A 86 7.157 13.828 5.133 1.00 0.00 C ATOM 1296 O GLU A 86 7.907 14.240 6.016 1.00 0.00 O ATOM 1297 CB GLU A 86 6.045 12.440 6.970 1.00 0.00 C ATOM 1298 CG GLU A 86 7.306 11.721 7.500 1.00 0.00 C ATOM 1299 CD GLU A 86 7.200 11.369 8.981 1.00 0.00 C ATOM 1300 OE1 GLU A 86 6.579 12.160 9.724 1.00 0.00 O ATOM 1301 OE2 GLU A 86 7.747 10.306 9.348 1.00 0.00 O ATOM 0 H GLU A 86 6.418 10.719 5.301 1.00 0.00 H new ATOM 0 HA GLU A 86 5.146 13.242 5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.909 13.366 7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.175 11.816 7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.470 10.810 6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.176 12.358 7.343 1.00 0.00 H new ATOM 1308 N THR A 87 7.239 14.318 3.895 1.00 0.00 N ATOM 1309 CA THR A 87 8.362 15.133 3.450 1.00 0.00 C ATOM 1310 C THR A 87 7.960 16.614 3.433 1.00 0.00 C ATOM 1311 O THR A 87 7.138 17.042 4.247 1.00 0.00 O ATOM 1312 CB THR A 87 8.861 14.589 2.097 1.00 0.00 C ATOM 1313 OG1 THR A 87 8.565 13.210 1.973 1.00 0.00 O ATOM 1314 CG2 THR A 87 10.378 14.725 1.954 1.00 0.00 C ATOM 0 H THR A 87 6.531 14.160 3.178 1.00 0.00 H new ATOM 0 HA THR A 87 9.202 15.070 4.142 1.00 0.00 H new ATOM 0 HB THR A 87 8.356 15.175 1.329 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.888 12.883 1.107 1.00 0.00 H new ATOM 0 HG21 THR A 87 10.689 14.330 0.987 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.657 15.776 2.024 1.00 0.00 H new ATOM 0 HG23 THR A 87 10.870 14.166 2.750 1.00 0.00 H new ATOM 1322 N GLY A 88 8.538 17.411 2.523 1.00 0.00 N ATOM 1323 CA GLY A 88 8.314 18.846 2.423 1.00 0.00 C ATOM 1324 C GLY A 88 8.900 19.550 3.641 1.00 0.00 C ATOM 1325 O GLY A 88 9.983 20.127 3.578 1.00 0.00 O ATOM 0 H GLY A 88 9.190 17.059 1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.774 19.232 1.513 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.246 19.052 2.352 1.00 0.00 H new ATOM 1329 N SER A 89 8.183 19.457 4.756 1.00 0.00 N ATOM 1330 CA SER A 89 8.563 19.986 6.054 1.00 0.00 C ATOM 1331 C SER A 89 7.614 19.434 7.124 1.00 0.00 C ATOM 1332 O SER A 89 7.298 20.136 8.081 1.00 0.00 O ATOM 1333 CB SER A 89 8.551 21.523 5.998 1.00 0.00 C ATOM 1334 OG SER A 89 7.370 21.989 5.366 1.00 0.00 O ATOM 0 H SER A 89 7.278 18.987 4.776 1.00 0.00 H new ATOM 0 HA SER A 89 9.573 19.673 6.318 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.615 21.930 7.007 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.426 21.880 5.455 1.00 0.00 H new ATOM 0 HG SER A 89 7.378 22.969 5.340 1.00 0.00 H new ATOM 1340 N SER A 90 7.138 18.191 6.952 1.00 0.00 N ATOM 1341 CA SER A 90 6.068 17.644 7.777 1.00 0.00 C ATOM 1342 C SER A 90 6.269 17.823 9.290 1.00 0.00 C ATOM 1343 O SER A 90 7.153 17.199 9.874 1.00 0.00 O ATOM 1344 CB SER A 90 5.902 16.165 7.435 1.00 0.00 C ATOM 1345 OG SER A 90 4.604 15.731 7.779 1.00 0.00 O ATOM 0 H SER A 90 7.486 17.547 6.241 1.00 0.00 H new ATOM 0 HA SER A 90 5.167 18.212 7.545 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.076 16.008 6.371 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.645 15.574 7.970 1.00 0.00 H new ATOM 0 HG SER A 90 4.172 15.337 6.993 1.00 0.00 H new ATOM 1351 N LYS A 91 5.412 18.629 9.927 1.00 0.00 N ATOM 1352 CA LYS A 91 5.322 18.750 11.374 1.00 0.00 C ATOM 1353 C LYS A 91 3.926 19.261 11.738 1.00 0.00 C ATOM 1354 O LYS A 91 3.633 20.440 11.543 1.00 0.00 O ATOM 1355 CB LYS A 91 6.424 19.684 11.896 1.00 0.00 C ATOM 1356 CG LYS A 91 6.400 19.772 13.429 1.00 0.00 C ATOM 1357 CD LYS A 91 7.566 20.630 13.929 1.00 0.00 C ATOM 1358 CE LYS A 91 7.532 20.725 15.458 1.00 0.00 C ATOM 1359 NZ LYS A 91 8.650 21.536 15.970 1.00 0.00 N ATOM 0 H LYS A 91 4.749 19.226 9.433 1.00 0.00 H new ATOM 0 HA LYS A 91 5.472 17.779 11.846 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.398 19.322 11.565 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.293 20.679 11.470 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.455 20.201 13.761 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.464 18.772 13.859 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.512 20.196 13.605 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.507 21.627 13.493 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.586 21.164 15.776 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.579 19.724 15.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.599 21.581 17.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.552 21.103 15.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.589 22.497 15.578 1.00 0.00 H new ATOM 1373 N TYR A 92 3.065 18.382 12.266 1.00 0.00 N ATOM 1374 CA TYR A 92 1.730 18.745 12.742 1.00 0.00 C ATOM 1375 C TYR A 92 1.770 20.033 13.584 1.00 0.00 C ATOM 1376 O TYR A 92 2.645 20.147 14.441 1.00 0.00 O ATOM 1377 CB TYR A 92 1.118 17.578 13.528 1.00 0.00 C ATOM 1378 CG TYR A 92 -0.398 17.517 13.474 1.00 0.00 C ATOM 1379 CD1 TYR A 92 -1.049 17.042 12.320 1.00 0.00 C ATOM 1380 CD2 TYR A 92 -1.159 18.044 14.534 1.00 0.00 C ATOM 1381 CE1 TYR A 92 -2.439 17.184 12.182 1.00 0.00 C ATOM 1382 CE2 TYR A 92 -2.556 18.144 14.414 1.00 0.00 C ATOM 1383 CZ TYR A 92 -3.194 17.733 13.232 1.00 0.00 C ATOM 1384 OH TYR A 92 -4.533 17.934 13.082 1.00 0.00 O ATOM 0 H TYR A 92 3.280 17.391 12.374 1.00 0.00 H new ATOM 0 HA TYR A 92 1.096 18.947 11.879 1.00 0.00 H new ATOM 0 HB2 TYR A 92 1.522 16.643 13.141 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.430 17.653 14.570 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.477 16.566 11.537 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -0.670 18.372 15.439 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.927 16.872 11.270 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -3.140 18.538 15.233 1.00 0.00 H new ATOM 0 HH TYR A 92 -4.900 18.320 13.905 1.00 0.00 H new ATOM 1394 N PRO A 93 0.876 21.015 13.363 1.00 0.00 N ATOM 1395 CA PRO A 93 -0.291 20.988 12.486 1.00 0.00 C ATOM 1396 C PRO A 93 0.071 20.984 11.000 1.00 0.00 C ATOM 1397 O PRO A 93 -0.670 20.427 10.193 1.00 0.00 O ATOM 1398 CB PRO A 93 -1.098 22.239 12.847 1.00 0.00 C ATOM 1399 CG PRO A 93 -0.031 23.215 13.339 1.00 0.00 C ATOM 1400 CD PRO A 93 0.953 22.291 14.056 1.00 0.00 C ATOM 0 HA PRO A 93 -0.854 20.067 12.636 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.637 22.633 11.985 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.839 22.031 13.618 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.441 23.750 12.515 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.446 23.966 14.011 1.00 0.00 H new ATOM 0 HD2 PRO A 93 1.965 22.695 14.021 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.690 22.181 15.108 1.00 0.00 H new ATOM 1408 N ASN A 94 1.225 21.544 10.631 1.00 0.00 N ATOM 1409 CA ASN A 94 1.708 21.559 9.256 1.00 0.00 C ATOM 1410 C ASN A 94 2.312 20.200 8.903 1.00 0.00 C ATOM 1411 O ASN A 94 3.459 20.110 8.464 1.00 0.00 O ATOM 1412 CB ASN A 94 2.730 22.691 9.071 1.00 0.00 C ATOM 1413 CG ASN A 94 2.100 24.060 9.285 1.00 0.00 C ATOM 1414 OD1 ASN A 94 2.151 24.611 10.381 1.00 0.00 O ATOM 1415 ND2 ASN A 94 1.495 24.628 8.245 1.00 0.00 N ATOM 0 H ASN A 94 1.855 22.004 11.289 1.00 0.00 H new ATOM 0 HA ASN A 94 0.874 21.745 8.579 1.00 0.00 H new ATOM 0 HB2 ASN A 94 3.553 22.556 9.772 1.00 0.00 H new ATOM 0 HB3 ASN A 94 3.154 22.638 8.068 1.00 0.00 H new ATOM 0 HD21 ASN A 94 1.058 25.544 8.347 1.00 0.00 H new ATOM 0 HD22 ASN A 94 1.468 24.147 7.346 1.00 0.00 H new ATOM 1422 N CYS A 95 1.547 19.123 9.094 1.00 0.00 N ATOM 1423 CA CYS A 95 1.949 17.828 8.570 1.00 0.00 C ATOM 1424 C CYS A 95 1.814 17.907 7.059 1.00 0.00 C ATOM 1425 O CYS A 95 0.817 18.412 6.546 1.00 0.00 O ATOM 1426 CB CYS A 95 1.126 16.688 9.155 1.00 0.00 C ATOM 1427 SG CYS A 95 1.665 15.036 8.647 1.00 0.00 S ATOM 0 H CYS A 95 0.661 19.126 9.600 1.00 0.00 H new ATOM 0 HA CYS A 95 2.978 17.607 8.854 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.164 16.750 10.243 1.00 0.00 H new ATOM 0 HB3 CYS A 95 0.084 16.822 8.864 1.00 0.00 H new ATOM 1432 N ALA A 96 2.866 17.492 6.369 1.00 0.00 N ATOM 1433 CA ALA A 96 3.011 17.593 4.934 1.00 0.00 C ATOM 1434 C ALA A 96 3.420 16.213 4.449 1.00 0.00 C ATOM 1435 O ALA A 96 3.968 15.423 5.219 1.00 0.00 O ATOM 1436 CB ALA A 96 4.071 18.644 4.593 1.00 0.00 C ATOM 0 H ALA A 96 3.673 17.058 6.818 1.00 0.00 H new ATOM 0 HA ALA A 96 2.086 17.907 4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.177 18.716 3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.767 19.611 4.993 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.026 18.354 5.032 1.00 0.00 H new ATOM 1442 N TYR A 97 3.148 15.911 3.185 1.00 0.00 N ATOM 1443 CA TYR A 97 3.435 14.602 2.639 1.00 0.00 C ATOM 1444 C TYR A 97 3.772 14.708 1.161 1.00 0.00 C ATOM 1445 O TYR A 97 3.012 15.315 0.403 1.00 0.00 O ATOM 1446 CB TYR A 97 2.240 13.671 2.873 1.00 0.00 C ATOM 1447 CG TYR A 97 2.479 12.600 3.906 1.00 0.00 C ATOM 1448 CD1 TYR A 97 2.199 12.822 5.263 1.00 0.00 C ATOM 1449 CD2 TYR A 97 2.927 11.343 3.492 1.00 0.00 C ATOM 1450 CE1 TYR A 97 2.277 11.752 6.168 1.00 0.00 C ATOM 1451 CE2 TYR A 97 2.896 10.251 4.367 1.00 0.00 C ATOM 1452 CZ TYR A 97 2.532 10.452 5.704 1.00 0.00 C ATOM 1453 OH TYR A 97 2.347 9.367 6.504 1.00 0.00 O ATOM 0 H TYR A 97 2.727 16.562 2.522 1.00 0.00 H new ATOM 0 HA TYR A 97 4.303 14.181 3.147 1.00 0.00 H new ATOM 0 HB2 TYR A 97 1.383 14.270 3.180 1.00 0.00 H new ATOM 0 HB3 TYR A 97 1.975 13.195 1.929 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.926 13.808 5.608 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.301 11.213 2.487 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.140 11.929 7.225 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.150 9.263 4.014 1.00 0.00 H new ATOM 0 HH TYR A 97 2.574 8.553 6.009 1.00 0.00 H new ATOM 1463 N LYS A 98 4.907 14.120 0.771 1.00 0.00 N ATOM 1464 CA LYS A 98 5.249 13.879 -0.610 1.00 0.00 C ATOM 1465 C LYS A 98 4.436 12.690 -1.095 1.00 0.00 C ATOM 1466 O LYS A 98 4.443 11.665 -0.422 1.00 0.00 O ATOM 1467 CB LYS A 98 6.749 13.619 -0.776 1.00 0.00 C ATOM 1468 CG LYS A 98 7.177 13.299 -2.219 1.00 0.00 C ATOM 1469 CD LYS A 98 6.927 14.478 -3.171 1.00 0.00 C ATOM 1470 CE LYS A 98 7.492 14.214 -4.573 1.00 0.00 C ATOM 1471 NZ LYS A 98 6.823 13.084 -5.242 1.00 0.00 N ATOM 0 H LYS A 98 5.618 13.797 1.427 1.00 0.00 H new ATOM 0 HA LYS A 98 5.016 14.762 -1.205 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.299 14.495 -0.432 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.036 12.789 -0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.236 13.040 -2.234 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.630 12.425 -2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 98 5.856 14.666 -3.241 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.383 15.379 -2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.381 15.111 -5.182 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.560 14.009 -4.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 7.075 13.079 -6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 7.129 12.191 -4.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.792 13.183 -5.143 1.00 0.00 H new ATOM 1485 N THR A 99 3.789 12.816 -2.254 1.00 0.00 N ATOM 1486 CA THR A 99 3.107 11.730 -2.941 1.00 0.00 C ATOM 1487 C THR A 99 3.877 11.443 -4.223 1.00 0.00 C ATOM 1488 O THR A 99 4.081 12.356 -5.024 1.00 0.00 O ATOM 1489 CB THR A 99 1.671 12.157 -3.260 1.00 0.00 C ATOM 1490 OG1 THR A 99 1.055 12.601 -2.076 1.00 0.00 O ATOM 1491 CG2 THR A 99 0.826 11.016 -3.824 1.00 0.00 C ATOM 0 H THR A 99 3.726 13.704 -2.751 1.00 0.00 H new ATOM 0 HA THR A 99 3.067 10.834 -2.322 1.00 0.00 H new ATOM 0 HB THR A 99 1.730 12.943 -4.013 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.293 12.001 -1.339 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.181 11.377 -4.031 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.277 10.651 -4.746 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.778 10.205 -3.097 1.00 0.00 H new ATOM 1499 N THR A 100 4.299 10.195 -4.411 1.00 0.00 N ATOM 1500 CA THR A 100 5.048 9.734 -5.563 1.00 0.00 C ATOM 1501 C THR A 100 4.306 8.538 -6.158 1.00 0.00 C ATOM 1502 O THR A 100 4.285 7.466 -5.552 1.00 0.00 O ATOM 1503 CB THR A 100 6.459 9.337 -5.113 1.00 0.00 C ATOM 1504 OG1 THR A 100 7.065 10.396 -4.395 1.00 0.00 O ATOM 1505 CG2 THR A 100 7.312 9.018 -6.342 1.00 0.00 C ATOM 0 H THR A 100 4.118 9.453 -3.735 1.00 0.00 H new ATOM 0 HA THR A 100 5.137 10.515 -6.318 1.00 0.00 H new ATOM 0 HB THR A 100 6.387 8.462 -4.467 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.964 10.127 -4.113 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.316 8.735 -6.025 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.861 8.194 -6.894 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.368 9.897 -6.984 1.00 0.00 H new ATOM 1513 N GLN A 101 3.702 8.716 -7.337 1.00 0.00 N ATOM 1514 CA GLN A 101 3.001 7.647 -8.029 1.00 0.00 C ATOM 1515 C GLN A 101 3.927 6.990 -9.050 1.00 0.00 C ATOM 1516 O GLN A 101 4.257 7.622 -10.052 1.00 0.00 O ATOM 1517 CB GLN A 101 1.704 8.181 -8.651 1.00 0.00 C ATOM 1518 CG GLN A 101 0.807 7.031 -9.126 1.00 0.00 C ATOM 1519 CD GLN A 101 -0.564 7.538 -9.561 1.00 0.00 C ATOM 1520 OE1 GLN A 101 -1.538 7.424 -8.827 1.00 0.00 O ATOM 1521 NE2 GLN A 101 -0.656 8.117 -10.754 1.00 0.00 N ATOM 0 H GLN A 101 3.689 9.607 -7.833 1.00 0.00 H new ATOM 0 HA GLN A 101 2.712 6.872 -7.319 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.168 8.786 -7.920 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.941 8.833 -9.492 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.286 6.514 -9.957 1.00 0.00 H new ATOM 0 HG3 GLN A 101 0.690 6.303 -8.323 1.00 0.00 H new ATOM 0 HE21 GLN A 101 0.171 8.199 -11.346 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -1.553 8.479 -11.077 1.00 0.00 H new ATOM 1530 N VAL A 102 4.354 5.743 -8.810 1.00 0.00 N ATOM 1531 CA VAL A 102 5.213 4.996 -9.709 1.00 0.00 C ATOM 1532 C VAL A 102 4.468 3.770 -10.238 1.00 0.00 C ATOM 1533 O VAL A 102 3.792 3.072 -9.483 1.00 0.00 O ATOM 1534 CB VAL A 102 6.531 4.621 -9.012 1.00 0.00 C ATOM 1535 CG1 VAL A 102 7.229 5.855 -8.440 1.00 0.00 C ATOM 1536 CG2 VAL A 102 6.410 3.581 -7.894 1.00 0.00 C ATOM 0 H VAL A 102 4.102 5.225 -7.968 1.00 0.00 H new ATOM 0 HA VAL A 102 5.474 5.620 -10.564 1.00 0.00 H new ATOM 0 HB VAL A 102 7.119 4.165 -9.809 1.00 0.00 H new ATOM 0 HG11 VAL A 102 8.157 5.555 -7.954 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.451 6.554 -9.246 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.577 6.337 -7.711 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.395 3.388 -7.469 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.747 3.959 -7.116 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.002 2.655 -8.301 1.00 0.00 H new ATOM 1546 N GLU A 103 4.604 3.505 -11.539 1.00 0.00 N ATOM 1547 CA GLU A 103 4.141 2.273 -12.153 1.00 0.00 C ATOM 1548 C GLU A 103 5.266 1.251 -12.065 1.00 0.00 C ATOM 1549 O GLU A 103 6.170 1.266 -12.896 1.00 0.00 O ATOM 1550 CB GLU A 103 3.702 2.528 -13.598 1.00 0.00 C ATOM 1551 CG GLU A 103 2.463 3.431 -13.638 1.00 0.00 C ATOM 1552 CD GLU A 103 1.945 3.586 -15.064 1.00 0.00 C ATOM 1553 OE1 GLU A 103 1.238 2.655 -15.511 1.00 0.00 O ATOM 1554 OE2 GLU A 103 2.259 4.630 -15.674 1.00 0.00 O ATOM 0 H GLU A 103 5.043 4.150 -12.196 1.00 0.00 H new ATOM 0 HA GLU A 103 3.268 1.884 -11.629 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.516 2.994 -14.153 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.483 1.580 -14.089 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.681 3.009 -13.007 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.709 4.411 -13.228 1.00 0.00 H new ATOM 1561 N LYS A 104 5.219 0.376 -11.058 1.00 0.00 N ATOM 1562 CA LYS A 104 6.208 -0.673 -10.864 1.00 0.00 C ATOM 1563 C LYS A 104 5.492 -1.919 -10.369 1.00 0.00 C ATOM 1564 O LYS A 104 4.320 -1.845 -10.002 1.00 0.00 O ATOM 1565 CB LYS A 104 7.299 -0.242 -9.879 1.00 0.00 C ATOM 1566 CG LYS A 104 8.111 0.947 -10.405 1.00 0.00 C ATOM 1567 CD LYS A 104 9.322 1.211 -9.502 1.00 0.00 C ATOM 1568 CE LYS A 104 10.185 2.363 -10.032 1.00 0.00 C ATOM 1569 NZ LYS A 104 10.787 2.045 -11.340 1.00 0.00 N ATOM 0 H LYS A 104 4.484 0.380 -10.351 1.00 0.00 H new ATOM 0 HA LYS A 104 6.706 -0.880 -11.811 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.842 0.024 -8.926 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.968 -1.082 -9.688 1.00 0.00 H new ATOM 0 HG2 LYS A 104 8.446 0.745 -11.422 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.481 1.835 -10.447 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.980 1.446 -8.494 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.926 0.307 -9.430 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.575 3.261 -10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.974 2.585 -9.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.504 2.761 -11.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.235 1.108 -11.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.047 2.042 -12.071 1.00 0.00 H new ATOM 1583 N HIS A 105 6.166 -3.071 -10.405 1.00 0.00 N ATOM 1584 CA HIS A 105 5.536 -4.329 -10.049 1.00 0.00 C ATOM 1585 C HIS A 105 5.750 -4.598 -8.574 1.00 0.00 C ATOM 1586 O HIS A 105 6.824 -4.340 -8.028 1.00 0.00 O ATOM 1587 CB HIS A 105 5.950 -5.486 -10.961 1.00 0.00 C ATOM 1588 CG HIS A 105 7.381 -5.939 -10.892 1.00 0.00 C ATOM 1589 ND1 HIS A 105 8.320 -5.791 -11.895 1.00 0.00 N ATOM 1590 CD2 HIS A 105 7.889 -6.798 -9.959 1.00 0.00 C ATOM 1591 CE1 HIS A 105 9.388 -6.538 -11.566 1.00 0.00 C ATOM 1592 NE2 HIS A 105 9.147 -7.157 -10.395 1.00 0.00 N ATOM 0 H HIS A 105 7.146 -3.151 -10.677 1.00 0.00 H new ATOM 0 HA HIS A 105 4.462 -4.244 -10.217 1.00 0.00 H new ATOM 0 HB2 HIS A 105 5.314 -6.341 -10.731 1.00 0.00 H new ATOM 0 HB3 HIS A 105 5.737 -5.197 -11.990 1.00 0.00 H new ATOM 0 HD2 HIS A 105 7.400 -7.131 -9.055 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.294 -6.627 -12.147 1.00 0.00 H new ATOM 0 HE2 HIS A 105 9.788 -7.786 -9.911 1.00 0.00 H new ATOM 1601 N ILE A 106 4.673 -5.050 -7.941 1.00 0.00 N ATOM 1602 CA ILE A 106 4.609 -5.246 -6.499 1.00 0.00 C ATOM 1603 C ILE A 106 4.902 -6.695 -6.135 1.00 0.00 C ATOM 1604 O ILE A 106 4.724 -7.599 -6.949 1.00 0.00 O ATOM 1605 CB ILE A 106 3.267 -4.746 -5.932 1.00 0.00 C ATOM 1606 CG1 ILE A 106 2.069 -5.584 -6.409 1.00 0.00 C ATOM 1607 CG2 ILE A 106 3.069 -3.269 -6.299 1.00 0.00 C ATOM 1608 CD1 ILE A 106 0.765 -5.168 -5.724 1.00 0.00 C ATOM 0 H ILE A 106 3.808 -5.294 -8.423 1.00 0.00 H new ATOM 0 HA ILE A 106 5.387 -4.643 -6.030 1.00 0.00 H new ATOM 0 HB ILE A 106 3.310 -4.856 -4.848 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.960 -5.478 -7.488 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.262 -6.638 -6.210 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.119 -2.918 -5.896 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.882 -2.677 -5.878 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.066 -3.161 -7.384 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.053 -5.787 -6.092 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.862 -5.299 -4.646 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.556 -4.121 -5.945 1.00 0.00 H new ATOM 1620 N ILE A 107 5.385 -6.887 -4.911 1.00 0.00 N ATOM 1621 CA ILE A 107 5.622 -8.165 -4.283 1.00 0.00 C ATOM 1622 C ILE A 107 4.854 -8.100 -2.967 1.00 0.00 C ATOM 1623 O ILE A 107 5.144 -7.244 -2.126 1.00 0.00 O ATOM 1624 CB ILE A 107 7.134 -8.394 -4.092 1.00 0.00 C ATOM 1625 CG1 ILE A 107 7.930 -8.571 -5.401 1.00 0.00 C ATOM 1626 CG2 ILE A 107 7.359 -9.690 -3.299 1.00 0.00 C ATOM 1627 CD1 ILE A 107 8.300 -7.280 -6.130 1.00 0.00 C ATOM 0 H ILE A 107 5.633 -6.105 -4.304 1.00 0.00 H new ATOM 0 HA ILE A 107 5.282 -9.010 -4.881 1.00 0.00 H new ATOM 0 HB ILE A 107 7.487 -7.496 -3.586 1.00 0.00 H new ATOM 0 HG12 ILE A 107 8.847 -9.116 -5.176 1.00 0.00 H new ATOM 0 HG13 ILE A 107 7.347 -9.195 -6.078 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.428 -9.853 -3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 107 6.878 -9.608 -2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 107 6.931 -10.530 -3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 107 8.857 -7.520 -7.036 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.392 -6.739 -6.395 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.916 -6.659 -5.480 1.00 0.00 H new ATOM 1639 N VAL A 108 3.846 -8.963 -2.814 1.00 0.00 N ATOM 1640 CA VAL A 108 2.944 -8.937 -1.670 1.00 0.00 C ATOM 1641 C VAL A 108 3.090 -10.213 -0.848 1.00 0.00 C ATOM 1642 O VAL A 108 3.152 -11.300 -1.414 1.00 0.00 O ATOM 1643 CB VAL A 108 1.491 -8.703 -2.115 1.00 0.00 C ATOM 1644 CG1 VAL A 108 1.355 -7.335 -2.794 1.00 0.00 C ATOM 1645 CG2 VAL A 108 0.952 -9.796 -3.047 1.00 0.00 C ATOM 0 H VAL A 108 3.636 -9.701 -3.486 1.00 0.00 H new ATOM 0 HA VAL A 108 3.219 -8.098 -1.031 1.00 0.00 H new ATOM 0 HB VAL A 108 0.889 -8.736 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.321 -7.184 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.643 -6.551 -2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.005 -7.297 -3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.078 -9.566 -3.320 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.565 -9.841 -3.947 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.985 -10.758 -2.536 1.00 0.00 H new ATOM 1655 N ALA A 109 3.151 -10.091 0.478 1.00 0.00 N ATOM 1656 CA ALA A 109 3.118 -11.216 1.397 1.00 0.00 C ATOM 1657 C ALA A 109 1.661 -11.558 1.698 1.00 0.00 C ATOM 1658 O ALA A 109 0.866 -10.653 1.972 1.00 0.00 O ATOM 1659 CB ALA A 109 3.893 -10.876 2.669 1.00 0.00 C ATOM 0 H ALA A 109 3.226 -9.188 0.947 1.00 0.00 H new ATOM 0 HA ALA A 109 3.596 -12.087 0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.863 -11.725 3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.929 -10.652 2.415 1.00 0.00 H new ATOM 0 HB3 ALA A 109 3.441 -10.008 3.149 1.00 0.00 H new ATOM 1665 N CYS A 110 1.320 -12.852 1.631 1.00 0.00 N ATOM 1666 CA CYS A 110 -0.030 -13.347 1.882 1.00 0.00 C ATOM 1667 C CYS A 110 -0.046 -14.225 3.127 1.00 0.00 C ATOM 1668 O CYS A 110 0.890 -14.989 3.360 1.00 0.00 O ATOM 1669 CB CYS A 110 -0.609 -14.109 0.685 1.00 0.00 C ATOM 1670 SG CYS A 110 -0.803 -13.143 -0.828 1.00 0.00 S ATOM 0 H CYS A 110 1.986 -13.589 1.398 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.666 -12.477 2.043 1.00 0.00 H new ATOM 0 HB2 CYS A 110 0.037 -14.961 0.472 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -1.583 -14.510 0.967 1.00 0.00 H new ATOM 1675 N GLY A 111 -1.099 -14.085 3.932 1.00 0.00 N ATOM 1676 CA GLY A 111 -1.220 -14.747 5.221 1.00 0.00 C ATOM 1677 C GLY A 111 -1.434 -16.255 5.096 1.00 0.00 C ATOM 1678 O GLY A 111 -1.581 -16.793 3.998 1.00 0.00 O ATOM 0 H GLY A 111 -1.901 -13.499 3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.320 -14.560 5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.054 -14.311 5.771 1.00 0.00 H new ATOM 1682 N GLY A 112 -1.468 -16.937 6.246 1.00 0.00 N ATOM 1683 CA GLY A 112 -1.825 -18.341 6.326 1.00 0.00 C ATOM 1684 C GLY A 112 -3.267 -18.549 5.869 1.00 0.00 C ATOM 1685 O GLY A 112 -4.043 -17.600 5.799 1.00 0.00 O ATOM 0 H GLY A 112 -1.245 -16.519 7.149 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -1.151 -18.930 5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -1.706 -18.695 7.350 1.00 0.00 H new ATOM 1689 N LYS A 113 -3.596 -19.803 5.553 1.00 0.00 N ATOM 1690 CA LYS A 113 -4.833 -20.207 4.891 1.00 0.00 C ATOM 1691 C LYS A 113 -6.083 -19.470 5.417 1.00 0.00 C ATOM 1692 O LYS A 113 -6.299 -19.442 6.628 1.00 0.00 O ATOM 1693 CB LYS A 113 -4.993 -21.735 4.971 1.00 0.00 C ATOM 1694 CG LYS A 113 -5.079 -22.280 6.406 1.00 0.00 C ATOM 1695 CD LYS A 113 -5.205 -23.808 6.391 1.00 0.00 C ATOM 1696 CE LYS A 113 -5.338 -24.343 7.821 1.00 0.00 C ATOM 1697 NZ LYS A 113 -5.487 -25.808 7.836 1.00 0.00 N ATOM 0 H LYS A 113 -2.984 -20.592 5.760 1.00 0.00 H new ATOM 0 HA LYS A 113 -4.751 -19.912 3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -5.893 -22.025 4.429 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -4.150 -22.205 4.464 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -4.191 -21.987 6.967 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -5.937 -21.843 6.917 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -6.074 -24.103 5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.331 -24.247 5.911 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -4.459 -24.059 8.400 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -6.200 -23.883 8.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -5.575 -26.138 8.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -6.339 -26.076 7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -4.652 -26.246 7.397 1.00 0.00 H new ATOM 1711 N PRO A 114 -6.943 -18.917 4.540 1.00 0.00 N ATOM 1712 CA PRO A 114 -6.791 -18.841 3.093 1.00 0.00 C ATOM 1713 C PRO A 114 -5.702 -17.836 2.714 1.00 0.00 C ATOM 1714 O PRO A 114 -5.501 -16.843 3.404 1.00 0.00 O ATOM 1715 CB PRO A 114 -8.150 -18.386 2.561 1.00 0.00 C ATOM 1716 CG PRO A 114 -8.730 -17.575 3.721 1.00 0.00 C ATOM 1717 CD PRO A 114 -8.186 -18.290 4.957 1.00 0.00 C ATOM 0 HA PRO A 114 -6.492 -19.800 2.671 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -8.047 -17.782 1.660 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -8.786 -19.234 2.305 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -8.408 -16.534 3.684 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -9.820 -17.573 3.705 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -8.014 -17.586 5.771 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -8.895 -19.033 5.322 1.00 0.00 H new ATOM 1725 N SER A 115 -5.006 -18.090 1.604 1.00 0.00 N ATOM 1726 CA SER A 115 -3.942 -17.202 1.147 1.00 0.00 C ATOM 1727 C SER A 115 -4.556 -15.876 0.696 1.00 0.00 C ATOM 1728 O SER A 115 -5.112 -15.794 -0.398 1.00 0.00 O ATOM 1729 CB SER A 115 -3.131 -17.855 0.022 1.00 0.00 C ATOM 1730 OG SER A 115 -1.988 -17.067 -0.258 1.00 0.00 O ATOM 0 H SER A 115 -5.162 -18.903 1.008 1.00 0.00 H new ATOM 0 HA SER A 115 -3.252 -17.010 1.968 1.00 0.00 H new ATOM 0 HB2 SER A 115 -2.829 -18.861 0.314 1.00 0.00 H new ATOM 0 HB3 SER A 115 -3.745 -17.954 -0.873 1.00 0.00 H new ATOM 0 HG SER A 115 -2.256 -16.267 -0.757 1.00 0.00 H new ATOM 1736 N VAL A 116 -4.480 -14.854 1.552 1.00 0.00 N ATOM 1737 CA VAL A 116 -4.986 -13.516 1.287 1.00 0.00 C ATOM 1738 C VAL A 116 -3.860 -12.506 1.531 1.00 0.00 C ATOM 1739 O VAL A 116 -3.056 -12.715 2.443 1.00 0.00 O ATOM 1740 CB VAL A 116 -6.231 -13.236 2.152 1.00 0.00 C ATOM 1741 CG1 VAL A 116 -7.379 -14.180 1.770 1.00 0.00 C ATOM 1742 CG2 VAL A 116 -5.961 -13.343 3.661 1.00 0.00 C ATOM 0 H VAL A 116 -4.051 -14.943 2.473 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.303 -13.425 0.248 1.00 0.00 H new ATOM 0 HB VAL A 116 -6.511 -12.203 1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.248 -13.966 2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -7.638 -14.032 0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -7.067 -15.213 1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -6.879 -13.134 4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -5.617 -14.350 3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -5.195 -12.621 3.946 1.00 0.00 H new ATOM 1752 N PRO A 117 -3.766 -11.435 0.724 1.00 0.00 N ATOM 1753 CA PRO A 117 -2.702 -10.444 0.816 1.00 0.00 C ATOM 1754 C PRO A 117 -2.771 -9.731 2.165 1.00 0.00 C ATOM 1755 O PRO A 117 -3.852 -9.306 2.567 1.00 0.00 O ATOM 1756 CB PRO A 117 -2.951 -9.480 -0.350 1.00 0.00 C ATOM 1757 CG PRO A 117 -4.463 -9.570 -0.551 1.00 0.00 C ATOM 1758 CD PRO A 117 -4.732 -11.048 -0.291 1.00 0.00 C ATOM 0 HA PRO A 117 -1.707 -10.885 0.753 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -2.635 -8.465 -0.109 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -2.406 -9.780 -1.245 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -5.005 -8.929 0.144 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -4.759 -9.273 -1.557 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.753 -11.208 0.055 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.607 -11.637 -1.199 1.00 0.00 H new ATOM 1766 N VAL A 118 -1.638 -9.608 2.864 1.00 0.00 N ATOM 1767 CA VAL A 118 -1.593 -9.051 4.209 1.00 0.00 C ATOM 1768 C VAL A 118 -0.474 -8.041 4.428 1.00 0.00 C ATOM 1769 O VAL A 118 -0.575 -7.221 5.341 1.00 0.00 O ATOM 1770 CB VAL A 118 -1.598 -10.181 5.250 1.00 0.00 C ATOM 1771 CG1 VAL A 118 -0.340 -11.052 5.192 1.00 0.00 C ATOM 1772 CG2 VAL A 118 -1.770 -9.637 6.670 1.00 0.00 C ATOM 0 H VAL A 118 -0.727 -9.894 2.507 1.00 0.00 H new ATOM 0 HA VAL A 118 -2.500 -8.462 4.341 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.453 -10.807 4.995 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.402 -11.832 5.951 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -0.260 -11.510 4.206 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.539 -10.435 5.378 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.769 -10.465 7.379 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.949 -8.959 6.902 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.715 -9.099 6.742 1.00 0.00 H new ATOM 1782 N HIS A 119 0.589 -8.085 3.626 1.00 0.00 N ATOM 1783 CA HIS A 119 1.667 -7.111 3.720 1.00 0.00 C ATOM 1784 C HIS A 119 2.190 -6.771 2.331 1.00 0.00 C ATOM 1785 O HIS A 119 2.305 -7.640 1.471 1.00 0.00 O ATOM 1786 CB HIS A 119 2.793 -7.630 4.631 1.00 0.00 C ATOM 1787 CG HIS A 119 2.825 -7.008 6.005 1.00 0.00 C ATOM 1788 ND1 HIS A 119 1.729 -6.705 6.789 1.00 0.00 N ATOM 1789 CD2 HIS A 119 3.952 -6.680 6.707 1.00 0.00 C ATOM 1790 CE1 HIS A 119 2.182 -6.197 7.949 1.00 0.00 C ATOM 1791 NE2 HIS A 119 3.528 -6.173 7.920 1.00 0.00 N ATOM 0 H HIS A 119 0.724 -8.790 2.901 1.00 0.00 H new ATOM 0 HA HIS A 119 1.276 -6.198 4.169 1.00 0.00 H new ATOM 0 HB2 HIS A 119 2.688 -8.710 4.737 1.00 0.00 H new ATOM 0 HB3 HIS A 119 3.750 -7.450 4.142 1.00 0.00 H new ATOM 0 HD1 HIS A 119 0.751 -6.842 6.534 1.00 0.00 H new ATOM 0 HD2 HIS A 119 4.974 -6.795 6.377 1.00 0.00 H new ATOM 0 HE1 HIS A 119 1.566 -5.863 8.771 1.00 0.00 H new ATOM 1800 N PHE A 120 2.529 -5.500 2.130 1.00 0.00 N ATOM 1801 CA PHE A 120 3.286 -5.051 0.977 1.00 0.00 C ATOM 1802 C PHE A 120 4.736 -5.411 1.283 1.00 0.00 C ATOM 1803 O PHE A 120 5.337 -4.795 2.161 1.00 0.00 O ATOM 1804 CB PHE A 120 3.096 -3.538 0.814 1.00 0.00 C ATOM 1805 CG PHE A 120 3.969 -2.916 -0.254 1.00 0.00 C ATOM 1806 CD1 PHE A 120 3.636 -3.057 -1.613 1.00 0.00 C ATOM 1807 CD2 PHE A 120 5.131 -2.212 0.115 1.00 0.00 C ATOM 1808 CE1 PHE A 120 4.430 -2.443 -2.596 1.00 0.00 C ATOM 1809 CE2 PHE A 120 5.922 -1.597 -0.869 1.00 0.00 C ATOM 1810 CZ PHE A 120 5.563 -1.699 -2.221 1.00 0.00 C ATOM 0 H PHE A 120 2.280 -4.749 2.774 1.00 0.00 H new ATOM 0 HA PHE A 120 2.966 -5.514 0.044 1.00 0.00 H new ATOM 0 HB2 PHE A 120 2.051 -3.338 0.576 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.305 -3.052 1.767 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.771 -3.636 -1.901 1.00 0.00 H new ATOM 0 HD2 PHE A 120 5.414 -2.145 1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 120 4.170 -2.542 -3.640 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.806 -1.046 -0.585 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.158 -1.205 -2.975 1.00 0.00 H new ATOM 1820 N ASP A 121 5.272 -6.448 0.633 1.00 0.00 N ATOM 1821 CA ASP A 121 6.622 -6.911 0.922 1.00 0.00 C ATOM 1822 C ASP A 121 7.622 -5.946 0.296 1.00 0.00 C ATOM 1823 O ASP A 121 8.521 -5.461 0.976 1.00 0.00 O ATOM 1824 CB ASP A 121 6.816 -8.340 0.406 1.00 0.00 C ATOM 1825 CG ASP A 121 8.155 -8.930 0.839 1.00 0.00 C ATOM 1826 OD1 ASP A 121 9.131 -8.744 0.079 1.00 0.00 O ATOM 1827 OD2 ASP A 121 8.171 -9.568 1.913 1.00 0.00 O ATOM 0 H ASP A 121 4.790 -6.978 -0.093 1.00 0.00 H new ATOM 0 HA ASP A 121 6.786 -6.932 1.999 1.00 0.00 H new ATOM 0 HB2 ASP A 121 6.007 -8.971 0.774 1.00 0.00 H new ATOM 0 HB3 ASP A 121 6.754 -8.344 -0.682 1.00 0.00 H new ATOM 1832 N ALA A 122 7.459 -5.671 -1.003 1.00 0.00 N ATOM 1833 CA ALA A 122 8.331 -4.767 -1.742 1.00 0.00 C ATOM 1834 C ALA A 122 7.718 -4.451 -3.108 1.00 0.00 C ATOM 1835 O ALA A 122 6.615 -4.898 -3.423 1.00 0.00 O ATOM 1836 CB ALA A 122 9.717 -5.410 -1.910 1.00 0.00 C ATOM 0 H ALA A 122 6.713 -6.074 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 122 8.440 -3.835 -1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 122 10.368 -4.733 -2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 122 10.148 -5.607 -0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 122 9.619 -6.347 -2.458 1.00 0.00 H new ATOM 1842 N SER A 123 8.458 -3.717 -3.941 1.00 0.00 N ATOM 1843 CA SER A 123 8.163 -3.523 -5.348 1.00 0.00 C ATOM 1844 C SER A 123 9.477 -3.295 -6.081 1.00 0.00 C ATOM 1845 O SER A 123 10.495 -3.017 -5.446 1.00 0.00 O ATOM 1846 CB SER A 123 7.217 -2.337 -5.554 1.00 0.00 C ATOM 1847 OG SER A 123 7.725 -1.185 -4.909 1.00 0.00 O ATOM 0 H SER A 123 9.302 -3.230 -3.639 1.00 0.00 H new ATOM 0 HA SER A 123 7.661 -4.406 -5.743 1.00 0.00 H new ATOM 0 HB2 SER A 123 7.095 -2.141 -6.619 1.00 0.00 H new ATOM 0 HB3 SER A 123 6.230 -2.578 -5.159 1.00 0.00 H new ATOM 0 HG SER A 123 7.576 -0.400 -5.477 1.00 0.00 H new ATOM 1853 N VAL A 124 9.447 -3.402 -7.410 1.00 0.00 N ATOM 1854 CA VAL A 124 10.570 -3.069 -8.279 1.00 0.00 C ATOM 1855 C VAL A 124 10.070 -2.867 -9.715 1.00 0.00 C ATOM 1856 O VAL A 124 10.762 -2.148 -10.467 1.00 0.00 O ATOM 1857 CB VAL A 124 11.696 -4.118 -8.152 1.00 0.00 C ATOM 1858 CG1 VAL A 124 11.278 -5.497 -8.667 1.00 0.00 C ATOM 1859 CG2 VAL A 124 12.979 -3.673 -8.865 1.00 0.00 C ATOM 1860 OXT VAL A 124 8.978 -3.394 -10.029 1.00 0.00 O ATOM 0 H VAL A 124 8.626 -3.729 -7.919 1.00 0.00 H new ATOM 0 HA VAL A 124 11.016 -2.125 -7.965 1.00 0.00 H new ATOM 0 HB VAL A 124 11.897 -4.201 -7.084 1.00 0.00 H new ATOM 0 HG11 VAL A 124 12.108 -6.195 -8.554 1.00 0.00 H new ATOM 0 HG12 VAL A 124 10.422 -5.855 -8.095 1.00 0.00 H new ATOM 0 HG13 VAL A 124 11.006 -5.425 -9.720 1.00 0.00 H new ATOM 0 HG21 VAL A 124 13.744 -4.441 -8.750 1.00 0.00 H new ATOM 0 HG22 VAL A 124 12.773 -3.522 -9.925 1.00 0.00 H new ATOM 0 HG23 VAL A 124 13.333 -2.739 -8.428 1.00 0.00 H new