USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 656 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 42 THR OG1 : rot 180:sc= -0.702 USER MOD Set 1.2: A 56 ASN : amide:sc= -1.08 K(o=-1.8,f=1.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 8 ASN : amide:sc= -1 K(o=-1,f=0.16) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -159:sc= -0.833 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -120:sc= -0.0308 (180deg=-0.341) USER MOD Single : A 41 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.72) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 66:sc= 0.575 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.874 USER MOD Single : A 62 LYS NZ :NH3+ 130:sc= 0.285 (180deg=0.00277) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 GLN : amide:sc= -0.451 K(o=-0.45,f=0.47) USER MOD Single : A 82 LYS NZ :NH3+ -98:sc= 1.27 (180deg=-0.537) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.737 12.281 27.981 1.00 0.00 N ATOM 2 CA MET A 1 -11.167 12.381 29.406 1.00 0.00 C ATOM 3 C MET A 1 -10.060 13.022 30.247 1.00 0.00 C ATOM 4 O MET A 1 -9.133 13.611 29.725 1.00 0.00 O ATOM 5 CB MET A 1 -11.408 10.937 29.848 1.00 0.00 C ATOM 6 CG MET A 1 -12.880 10.759 30.230 1.00 0.00 C ATOM 7 SD MET A 1 -13.355 9.027 30.011 1.00 0.00 S ATOM 8 CE MET A 1 -14.095 9.198 28.368 1.00 0.00 C ATOM 0 H1 MET A 1 -11.496 11.845 27.419 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.536 13.232 27.612 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.879 11.696 27.917 1.00 0.00 H new ATOM 0 HA MET A 1 -12.057 12.999 29.528 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.144 10.250 29.044 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.769 10.694 30.697 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.037 11.062 31.265 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.507 11.400 29.611 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.462 8.228 28.032 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.924 9.904 28.414 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.345 9.565 27.667 1.00 0.00 H new ATOM 20 N LYS A 2 -10.147 12.915 31.544 1.00 0.00 N ATOM 21 CA LYS A 2 -9.099 13.520 32.414 1.00 0.00 C ATOM 22 C LYS A 2 -7.738 12.879 32.129 1.00 0.00 C ATOM 23 O LYS A 2 -6.757 13.557 31.901 1.00 0.00 O ATOM 24 CB LYS A 2 -9.545 13.215 33.844 1.00 0.00 C ATOM 25 CG LYS A 2 -10.788 14.041 34.180 1.00 0.00 C ATOM 26 CD LYS A 2 -10.414 15.146 35.170 1.00 0.00 C ATOM 27 CE LYS A 2 -11.616 16.067 35.386 1.00 0.00 C ATOM 28 NZ LYS A 2 -11.253 16.900 36.567 1.00 0.00 N ATOM 0 H LYS A 2 -10.898 12.435 32.039 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.988 14.590 32.241 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.763 12.152 33.949 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.742 13.447 34.544 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.204 14.477 33.272 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.559 13.400 34.608 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.103 14.709 36.119 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.568 15.718 34.790 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.802 16.686 34.508 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.525 15.494 35.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.029 17.559 36.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.088 16.284 37.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.388 17.439 36.359 1.00 0.00 H new ATOM 42 N LEU A 3 -7.672 11.575 32.141 1.00 0.00 N ATOM 43 CA LEU A 3 -6.375 10.892 31.871 1.00 0.00 C ATOM 44 C LEU A 3 -6.225 10.608 30.374 1.00 0.00 C ATOM 45 O LEU A 3 -5.130 10.486 29.863 1.00 0.00 O ATOM 46 CB LEU A 3 -6.448 9.582 32.657 1.00 0.00 C ATOM 47 CG LEU A 3 -5.536 9.668 33.883 1.00 0.00 C ATOM 48 CD1 LEU A 3 -4.093 9.899 33.430 1.00 0.00 C ATOM 49 CD2 LEU A 3 -5.984 10.830 34.772 1.00 0.00 C ATOM 0 H LEU A 3 -8.460 10.954 32.326 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.520 11.501 32.166 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.475 9.389 32.968 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.145 8.748 32.023 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.595 8.736 34.446 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.443 9.960 34.303 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.773 9.071 32.797 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.033 10.830 32.867 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.335 10.891 35.645 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.925 11.762 34.210 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.012 10.666 35.095 1.00 0.00 H new ATOM 61 N LYS A 4 -7.321 10.502 29.668 1.00 0.00 N ATOM 62 CA LYS A 4 -7.254 10.221 28.201 1.00 0.00 C ATOM 63 C LYS A 4 -6.543 8.888 27.948 1.00 0.00 C ATOM 64 O LYS A 4 -5.753 8.433 28.750 1.00 0.00 O ATOM 65 CB LYS A 4 -6.455 11.380 27.598 1.00 0.00 C ATOM 66 CG LYS A 4 -6.707 11.443 26.090 1.00 0.00 C ATOM 67 CD LYS A 4 -6.239 12.796 25.549 1.00 0.00 C ATOM 68 CE LYS A 4 -7.110 13.199 24.358 1.00 0.00 C ATOM 69 NZ LYS A 4 -7.054 14.687 24.328 1.00 0.00 N ATOM 0 H LYS A 4 -8.264 10.598 30.045 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.246 10.142 27.756 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.748 12.320 28.066 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.392 11.244 27.794 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.175 10.635 25.588 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.768 11.304 25.882 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.301 13.553 26.331 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.194 12.736 25.245 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.732 12.771 23.430 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.134 12.845 24.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.629 15.040 23.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.426 15.066 25.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.068 14.995 24.205 1.00 0.00 H new ATOM 83 N VAL A 5 -6.820 8.258 26.840 1.00 0.00 N ATOM 84 CA VAL A 5 -6.161 6.954 26.538 1.00 0.00 C ATOM 85 C VAL A 5 -4.643 7.135 26.463 1.00 0.00 C ATOM 86 O VAL A 5 -4.140 7.935 25.700 1.00 0.00 O ATOM 87 CB VAL A 5 -6.721 6.534 25.180 1.00 0.00 C ATOM 88 CG1 VAL A 5 -6.386 7.602 24.137 1.00 0.00 C ATOM 89 CG2 VAL A 5 -6.099 5.199 24.763 1.00 0.00 C ATOM 0 H VAL A 5 -7.474 8.589 26.130 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.353 6.205 27.306 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.803 6.424 25.251 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.786 7.302 23.168 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.829 8.552 24.434 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.304 7.713 24.065 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.498 4.899 23.794 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.017 5.308 24.692 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.339 4.438 25.506 1.00 0.00 H new ATOM 99 N THR A 6 -3.909 6.395 27.250 1.00 0.00 N ATOM 100 CA THR A 6 -2.424 6.523 27.224 1.00 0.00 C ATOM 101 C THR A 6 -1.838 5.672 26.094 1.00 0.00 C ATOM 102 O THR A 6 -2.328 4.603 25.790 1.00 0.00 O ATOM 103 CB THR A 6 -1.959 6.003 28.585 1.00 0.00 C ATOM 104 OG1 THR A 6 -2.775 4.907 28.976 1.00 0.00 O ATOM 105 CG2 THR A 6 -2.066 7.118 29.626 1.00 0.00 C ATOM 0 H THR A 6 -4.274 5.708 27.909 1.00 0.00 H new ATOM 0 HA THR A 6 -2.101 7.549 27.047 1.00 0.00 H new ATOM 0 HB THR A 6 -0.921 5.677 28.513 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.477 4.572 29.847 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.734 6.744 30.595 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.438 7.957 29.326 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.102 7.448 29.700 1.00 0.00 H new ATOM 113 N VAL A 7 -0.789 6.137 25.471 1.00 0.00 N ATOM 114 CA VAL A 7 -0.173 5.354 24.363 1.00 0.00 C ATOM 115 C VAL A 7 0.227 3.962 24.860 1.00 0.00 C ATOM 116 O VAL A 7 0.774 3.810 25.934 1.00 0.00 O ATOM 117 CB VAL A 7 1.065 6.152 23.954 1.00 0.00 C ATOM 118 CG1 VAL A 7 1.994 6.306 25.159 1.00 0.00 C ATOM 119 CG2 VAL A 7 1.802 5.411 22.834 1.00 0.00 C ATOM 0 H VAL A 7 -0.333 7.025 25.682 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.859 5.210 23.528 1.00 0.00 H new ATOM 0 HB VAL A 7 0.762 7.138 23.601 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.877 6.875 24.867 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.470 6.832 25.957 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.298 5.321 25.512 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.685 5.979 22.542 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.105 4.426 23.188 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.141 5.300 21.975 1.00 0.00 H new ATOM 129 N ASN A 8 -0.041 2.947 24.087 1.00 0.00 N ATOM 130 CA ASN A 8 0.326 1.566 24.517 1.00 0.00 C ATOM 131 C ASN A 8 0.285 0.612 23.322 1.00 0.00 C ATOM 132 O ASN A 8 -0.116 -0.530 23.440 1.00 0.00 O ATOM 133 CB ASN A 8 -0.732 1.178 25.549 1.00 0.00 C ATOM 134 CG ASN A 8 -2.124 1.308 24.926 1.00 0.00 C ATOM 135 OD1 ASN A 8 -2.839 2.250 25.202 1.00 0.00 O ATOM 136 ND2 ASN A 8 -2.539 0.395 24.091 1.00 0.00 N ATOM 0 H ASN A 8 -0.498 3.012 23.177 1.00 0.00 H new ATOM 0 HA ASN A 8 1.334 1.516 24.929 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.567 0.155 25.887 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.653 1.820 26.426 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.465 0.472 23.670 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.938 -0.396 23.860 1.00 0.00 H new ATOM 143 N GLY A 9 0.694 1.070 22.172 1.00 0.00 N ATOM 144 CA GLY A 9 0.677 0.190 20.970 1.00 0.00 C ATOM 145 C GLY A 9 0.783 1.048 19.708 1.00 0.00 C ATOM 146 O GLY A 9 0.861 2.260 19.776 1.00 0.00 O ATOM 0 H GLY A 9 1.040 2.016 22.012 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.505 -0.517 21.012 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.242 -0.396 20.948 1.00 0.00 H new ATOM 150 N ALA A 10 0.785 0.433 18.558 1.00 0.00 N ATOM 151 CA ALA A 10 0.884 1.218 17.294 1.00 0.00 C ATOM 152 C ALA A 10 -0.503 1.699 16.861 1.00 0.00 C ATOM 153 O ALA A 10 -1.503 1.067 17.138 1.00 0.00 O ATOM 154 CB ALA A 10 1.461 0.244 16.265 1.00 0.00 C ATOM 0 H ALA A 10 0.722 -0.578 18.438 1.00 0.00 H new ATOM 0 HA ALA A 10 1.507 2.106 17.407 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.564 0.749 15.304 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.439 -0.102 16.600 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.791 -0.609 16.156 1.00 0.00 H new ATOM 160 N GLY A 11 -0.570 2.813 16.185 1.00 0.00 N ATOM 161 CA GLY A 11 -1.892 3.333 15.736 1.00 0.00 C ATOM 162 C GLY A 11 -1.681 4.540 14.820 1.00 0.00 C ATOM 163 O GLY A 11 -1.837 4.454 13.618 1.00 0.00 O ATOM 0 H GLY A 11 0.233 3.385 15.924 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.441 2.554 15.208 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.494 3.618 16.598 1.00 0.00 H new ATOM 167 N LYS A 12 -1.326 5.664 15.379 1.00 0.00 N ATOM 168 CA LYS A 12 -1.104 6.875 14.538 1.00 0.00 C ATOM 169 C LYS A 12 -0.033 6.597 13.480 1.00 0.00 C ATOM 170 O LYS A 12 -0.275 6.709 12.296 1.00 0.00 O ATOM 171 CB LYS A 12 -0.630 7.953 15.514 1.00 0.00 C ATOM 172 CG LYS A 12 -0.451 9.276 14.765 1.00 0.00 C ATOM 173 CD LYS A 12 0.339 10.254 15.637 1.00 0.00 C ATOM 174 CE LYS A 12 -0.492 11.519 15.872 1.00 0.00 C ATOM 175 NZ LYS A 12 -0.820 11.496 17.325 1.00 0.00 N ATOM 0 H LYS A 12 -1.180 5.797 16.380 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.004 7.177 14.003 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.355 8.074 16.319 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.311 7.653 15.975 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.073 9.106 13.825 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.424 9.699 14.515 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.588 9.788 16.590 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.281 10.510 15.152 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.069 12.415 15.608 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.396 11.517 15.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.389 12.332 17.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.359 10.635 17.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.060 11.505 17.880 1.00 0.00 H new ATOM 189 N ALA A 13 1.150 6.237 13.898 1.00 0.00 N ATOM 190 CA ALA A 13 2.232 5.955 12.911 1.00 0.00 C ATOM 191 C ALA A 13 3.435 5.316 13.609 1.00 0.00 C ATOM 192 O ALA A 13 3.819 5.712 14.693 1.00 0.00 O ATOM 193 CB ALA A 13 2.609 7.321 12.336 1.00 0.00 C ATOM 0 H ALA A 13 1.414 6.126 14.877 1.00 0.00 H new ATOM 0 HA ALA A 13 1.911 5.260 12.135 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.403 7.199 11.599 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.737 7.769 11.860 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.957 7.970 13.139 1.00 0.00 H new ATOM 199 N GLY A 14 4.035 4.332 12.996 1.00 0.00 N ATOM 200 CA GLY A 14 5.212 3.671 13.624 1.00 0.00 C ATOM 201 C GLY A 14 6.498 4.227 13.012 1.00 0.00 C ATOM 202 O GLY A 14 6.815 5.392 13.160 1.00 0.00 O ATOM 0 H GLY A 14 3.760 3.958 12.088 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.206 3.841 14.701 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.161 2.593 13.472 1.00 0.00 H new ATOM 206 N GLU A 15 7.243 3.406 12.325 1.00 0.00 N ATOM 207 CA GLU A 15 8.508 3.890 11.703 1.00 0.00 C ATOM 208 C GLU A 15 8.462 3.690 10.186 1.00 0.00 C ATOM 209 O GLU A 15 8.984 4.485 9.429 1.00 0.00 O ATOM 210 CB GLU A 15 9.610 3.029 12.324 1.00 0.00 C ATOM 211 CG GLU A 15 9.681 3.296 13.829 1.00 0.00 C ATOM 212 CD GLU A 15 11.111 3.070 14.321 1.00 0.00 C ATOM 213 OE1 GLU A 15 12.024 3.245 13.531 1.00 0.00 O ATOM 214 OE2 GLU A 15 11.271 2.725 15.480 1.00 0.00 O ATOM 0 H GLU A 15 7.031 2.421 12.167 1.00 0.00 H new ATOM 0 HA GLU A 15 8.674 4.953 11.878 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.408 1.974 12.140 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.569 3.256 11.858 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.369 4.318 14.043 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.994 2.636 14.359 1.00 0.00 H new ATOM 221 N GLY A 16 7.842 2.633 9.736 1.00 0.00 N ATOM 222 CA GLY A 16 7.765 2.383 8.269 1.00 0.00 C ATOM 223 C GLY A 16 6.299 2.373 7.816 1.00 0.00 C ATOM 224 O GLY A 16 5.982 1.924 6.733 1.00 0.00 O ATOM 0 H GLY A 16 7.386 1.933 10.321 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.316 3.154 7.731 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.235 1.429 8.029 1.00 0.00 H new ATOM 228 N GLU A 17 5.404 2.867 8.629 1.00 0.00 N ATOM 229 CA GLU A 17 3.966 2.883 8.230 1.00 0.00 C ATOM 230 C GLU A 17 3.597 4.254 7.657 1.00 0.00 C ATOM 231 O GLU A 17 3.780 5.273 8.292 1.00 0.00 O ATOM 232 CB GLU A 17 3.190 2.612 9.519 1.00 0.00 C ATOM 233 CG GLU A 17 3.535 1.217 10.039 1.00 0.00 C ATOM 234 CD GLU A 17 3.440 1.202 11.566 1.00 0.00 C ATOM 235 OE1 GLU A 17 2.467 1.726 12.083 1.00 0.00 O ATOM 236 OE2 GLU A 17 4.341 0.668 12.190 1.00 0.00 O ATOM 0 H GLU A 17 5.605 3.259 9.549 1.00 0.00 H new ATOM 0 HA GLU A 17 3.741 2.144 7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.437 3.363 10.269 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.119 2.688 9.334 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.853 0.480 9.615 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.541 0.939 9.724 1.00 0.00 H new ATOM 243 N ILE A 18 3.081 4.285 6.459 1.00 0.00 N ATOM 244 CA ILE A 18 2.706 5.590 5.841 1.00 0.00 C ATOM 245 C ILE A 18 1.324 6.041 6.341 1.00 0.00 C ATOM 246 O ILE A 18 0.337 5.375 6.098 1.00 0.00 O ATOM 247 CB ILE A 18 2.662 5.313 4.339 1.00 0.00 C ATOM 248 CG1 ILE A 18 4.029 4.801 3.876 1.00 0.00 C ATOM 249 CG2 ILE A 18 2.323 6.602 3.590 1.00 0.00 C ATOM 250 CD1 ILE A 18 3.838 3.749 2.781 1.00 0.00 C ATOM 0 H ILE A 18 2.903 3.464 5.881 1.00 0.00 H new ATOM 0 HA ILE A 18 3.409 6.383 6.094 1.00 0.00 H new ATOM 0 HB ILE A 18 1.900 4.562 4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.630 5.628 3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.572 4.370 4.718 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.292 6.403 2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.351 6.969 3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.084 7.354 3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.811 3.385 2.452 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.253 2.917 3.174 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.313 4.194 1.936 1.00 0.00 H new ATOM 262 N PRO A 19 1.289 7.163 7.024 1.00 0.00 N ATOM 263 CA PRO A 19 0.003 7.687 7.547 1.00 0.00 C ATOM 264 C PRO A 19 -0.839 8.270 6.407 1.00 0.00 C ATOM 265 O PRO A 19 -0.347 9.004 5.572 1.00 0.00 O ATOM 266 CB PRO A 19 0.429 8.781 8.523 1.00 0.00 C ATOM 267 CG PRO A 19 1.780 9.219 8.055 1.00 0.00 C ATOM 268 CD PRO A 19 2.421 8.037 7.372 1.00 0.00 C ATOM 0 HA PRO A 19 -0.612 6.920 8.018 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.278 9.611 8.518 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.469 8.403 9.545 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.695 10.061 7.368 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.388 9.554 8.895 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.976 8.342 6.485 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.127 7.531 8.031 1.00 0.00 H new ATOM 276 N ALA A 20 -2.104 7.950 6.365 1.00 0.00 N ATOM 277 CA ALA A 20 -2.975 8.486 5.279 1.00 0.00 C ATOM 278 C ALA A 20 -3.405 9.924 5.604 1.00 0.00 C ATOM 279 O ALA A 20 -3.944 10.177 6.664 1.00 0.00 O ATOM 280 CB ALA A 20 -4.191 7.558 5.253 1.00 0.00 C ATOM 0 H ALA A 20 -2.572 7.341 7.036 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.463 8.517 4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.883 7.886 4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.867 6.539 5.042 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.691 7.587 6.221 1.00 0.00 H new ATOM 286 N PRO A 21 -3.156 10.828 4.685 1.00 0.00 N ATOM 287 CA PRO A 21 -3.533 12.247 4.901 1.00 0.00 C ATOM 288 C PRO A 21 -5.047 12.424 4.760 1.00 0.00 C ATOM 289 O PRO A 21 -5.672 11.826 3.907 1.00 0.00 O ATOM 290 CB PRO A 21 -2.797 12.990 3.792 1.00 0.00 C ATOM 291 CG PRO A 21 -2.589 11.975 2.714 1.00 0.00 C ATOM 292 CD PRO A 21 -2.512 10.625 3.378 1.00 0.00 C ATOM 0 HA PRO A 21 -3.273 12.611 5.895 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.381 13.836 3.429 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.847 13.388 4.148 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.409 12.004 1.996 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.673 12.184 2.161 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.029 9.864 2.793 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.479 10.295 3.490 1.00 0.00 H new ATOM 300 N LEU A 22 -5.639 13.247 5.588 1.00 0.00 N ATOM 301 CA LEU A 22 -7.117 13.473 5.511 1.00 0.00 C ATOM 302 C LEU A 22 -7.874 12.167 5.769 1.00 0.00 C ATOM 303 O LEU A 22 -7.618 11.153 5.150 1.00 0.00 O ATOM 304 CB LEU A 22 -7.383 13.977 4.088 1.00 0.00 C ATOM 305 CG LEU A 22 -8.427 15.094 4.129 1.00 0.00 C ATOM 306 CD1 LEU A 22 -8.029 16.199 3.150 1.00 0.00 C ATOM 307 CD2 LEU A 22 -9.793 14.528 3.735 1.00 0.00 C ATOM 0 H LEU A 22 -5.161 13.775 6.318 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.455 14.188 6.261 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.459 14.345 3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.735 13.158 3.461 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.482 15.506 5.137 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.773 16.996 3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.056 16.601 3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.975 15.789 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.538 15.323 3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.740 14.117 2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.076 13.740 4.433 1.00 0.00 H new ATOM 319 N ALA A 23 -8.808 12.182 6.679 1.00 0.00 N ATOM 320 CA ALA A 23 -9.581 10.941 6.974 1.00 0.00 C ATOM 321 C ALA A 23 -10.251 10.421 5.699 1.00 0.00 C ATOM 322 O ALA A 23 -10.263 11.080 4.679 1.00 0.00 O ATOM 323 CB ALA A 23 -10.632 11.361 8.001 1.00 0.00 C ATOM 0 H ALA A 23 -9.070 12.999 7.231 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.946 10.138 7.349 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.243 10.499 8.270 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.136 11.746 8.892 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.267 12.137 7.575 1.00 0.00 H new ATOM 329 N GLY A 24 -10.808 9.242 5.751 1.00 0.00 N ATOM 330 CA GLY A 24 -11.476 8.678 4.544 1.00 0.00 C ATOM 331 C GLY A 24 -11.940 7.251 4.841 1.00 0.00 C ATOM 332 O GLY A 24 -11.781 6.753 5.938 1.00 0.00 O ATOM 0 H GLY A 24 -10.829 8.645 6.578 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.327 9.298 4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.787 8.680 3.699 1.00 0.00 H new ATOM 336 N THR A 25 -12.510 6.588 3.872 1.00 0.00 N ATOM 337 CA THR A 25 -12.980 5.191 4.105 1.00 0.00 C ATOM 338 C THR A 25 -12.548 4.284 2.950 1.00 0.00 C ATOM 339 O THR A 25 -12.464 4.706 1.813 1.00 0.00 O ATOM 340 CB THR A 25 -14.506 5.291 4.169 1.00 0.00 C ATOM 341 OG1 THR A 25 -14.875 6.238 5.161 1.00 0.00 O ATOM 342 CG2 THR A 25 -15.093 3.923 4.521 1.00 0.00 C ATOM 0 H THR A 25 -12.671 6.951 2.932 1.00 0.00 H new ATOM 0 HA THR A 25 -12.561 4.762 5.015 1.00 0.00 H new ATOM 0 HB THR A 25 -14.892 5.611 3.201 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.852 6.305 5.202 1.00 0.00 H new ATOM 0 HG21 THR A 25 -16.180 3.994 4.567 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.809 3.198 3.759 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.710 3.601 5.489 1.00 0.00 H new ATOM 350 N VAL A 26 -12.272 3.040 3.234 1.00 0.00 N ATOM 351 CA VAL A 26 -11.842 2.105 2.153 1.00 0.00 C ATOM 352 C VAL A 26 -13.067 1.495 1.467 1.00 0.00 C ATOM 353 O VAL A 26 -14.000 1.060 2.113 1.00 0.00 O ATOM 354 CB VAL A 26 -11.028 1.014 2.858 1.00 0.00 C ATOM 355 CG1 VAL A 26 -10.358 0.125 1.809 1.00 0.00 C ATOM 356 CG2 VAL A 26 -9.954 1.653 3.742 1.00 0.00 C ATOM 0 H VAL A 26 -12.325 2.630 4.167 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.259 2.611 1.383 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.694 0.415 3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.778 -0.652 2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.121 -0.337 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.697 0.730 1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.380 0.871 4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.287 2.257 3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.429 2.287 4.491 1.00 0.00 H new ATOM 366 N SER A 27 -13.071 1.454 0.163 1.00 0.00 N ATOM 367 CA SER A 27 -14.235 0.868 -0.562 1.00 0.00 C ATOM 368 C SER A 27 -13.836 -0.459 -1.215 1.00 0.00 C ATOM 369 O SER A 27 -14.673 -1.281 -1.532 1.00 0.00 O ATOM 370 CB SER A 27 -14.603 1.901 -1.625 1.00 0.00 C ATOM 371 OG SER A 27 -13.419 2.531 -2.100 1.00 0.00 O ATOM 0 H SER A 27 -12.319 1.801 -0.432 1.00 0.00 H new ATOM 0 HA SER A 27 -15.072 0.656 0.103 1.00 0.00 H new ATOM 0 HB2 SER A 27 -15.128 1.419 -2.450 1.00 0.00 H new ATOM 0 HB3 SER A 27 -15.281 2.645 -1.206 1.00 0.00 H new ATOM 0 HG SER A 27 -13.648 3.391 -2.511 1.00 0.00 H new ATOM 377 N LYS A 28 -12.566 -0.674 -1.420 1.00 0.00 N ATOM 378 CA LYS A 28 -12.118 -1.948 -2.054 1.00 0.00 C ATOM 379 C LYS A 28 -10.591 -2.057 -2.007 1.00 0.00 C ATOM 380 O LYS A 28 -9.882 -1.201 -2.501 1.00 0.00 O ATOM 381 CB LYS A 28 -12.607 -1.862 -3.500 1.00 0.00 C ATOM 382 CG LYS A 28 -13.497 -3.066 -3.812 1.00 0.00 C ATOM 383 CD LYS A 28 -13.241 -3.530 -5.248 1.00 0.00 C ATOM 384 CE LYS A 28 -12.884 -5.017 -5.247 1.00 0.00 C ATOM 385 NZ LYS A 28 -12.276 -5.266 -6.585 1.00 0.00 N ATOM 0 H LYS A 28 -11.819 -0.024 -1.177 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.512 -2.825 -1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.163 -0.937 -3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.757 -1.839 -4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.289 -3.877 -3.114 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.546 -2.799 -3.686 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.126 -3.358 -5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.430 -2.951 -5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.185 -5.255 -4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.768 -5.636 -5.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.004 -6.267 -6.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.966 -5.037 -7.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.433 -4.668 -6.700 1.00 0.00 H new ATOM 399 N ILE A 29 -10.080 -3.103 -1.419 1.00 0.00 N ATOM 400 CA ILE A 29 -8.599 -3.271 -1.340 1.00 0.00 C ATOM 401 C ILE A 29 -8.070 -3.893 -2.637 1.00 0.00 C ATOM 402 O ILE A 29 -8.720 -4.714 -3.252 1.00 0.00 O ATOM 403 CB ILE A 29 -8.373 -4.211 -0.155 1.00 0.00 C ATOM 404 CG1 ILE A 29 -6.872 -4.404 0.066 1.00 0.00 C ATOM 405 CG2 ILE A 29 -9.023 -5.567 -0.440 1.00 0.00 C ATOM 406 CD1 ILE A 29 -6.537 -4.151 1.537 1.00 0.00 C ATOM 0 H ILE A 29 -10.624 -3.851 -0.989 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.077 -2.323 -1.210 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.821 -3.776 0.739 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.579 -5.415 -0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.309 -3.720 -0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.860 -6.234 0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.094 -5.432 -0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.579 -6.002 -1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.467 -4.288 1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.815 -3.131 1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.089 -4.853 2.162 1.00 0.00 H new ATOM 418 N LEU A 30 -6.897 -3.504 -3.059 1.00 0.00 N ATOM 419 CA LEU A 30 -6.334 -4.071 -4.319 1.00 0.00 C ATOM 420 C LEU A 30 -5.015 -4.800 -4.041 1.00 0.00 C ATOM 421 O LEU A 30 -4.617 -5.681 -4.777 1.00 0.00 O ATOM 422 CB LEU A 30 -6.095 -2.862 -5.224 1.00 0.00 C ATOM 423 CG LEU A 30 -7.222 -2.764 -6.253 1.00 0.00 C ATOM 424 CD1 LEU A 30 -7.250 -4.037 -7.101 1.00 0.00 C ATOM 425 CD2 LEU A 30 -8.561 -2.601 -5.531 1.00 0.00 C ATOM 0 H LEU A 30 -6.305 -2.820 -2.587 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.005 -4.800 -4.774 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.053 -1.951 -4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.134 -2.957 -5.729 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.051 -1.902 -6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.053 -3.968 -7.835 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.296 -4.152 -7.616 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.420 -4.900 -6.457 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.364 -2.531 -6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.733 -3.462 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.541 -1.693 -4.928 1.00 0.00 H new ATOM 437 N VAL A 31 -4.330 -4.440 -2.989 1.00 0.00 N ATOM 438 CA VAL A 31 -3.036 -5.114 -2.675 1.00 0.00 C ATOM 439 C VAL A 31 -3.193 -6.023 -1.451 1.00 0.00 C ATOM 440 O VAL A 31 -4.153 -5.927 -0.714 1.00 0.00 O ATOM 441 CB VAL A 31 -2.058 -3.976 -2.381 1.00 0.00 C ATOM 442 CG1 VAL A 31 -2.562 -3.164 -1.185 1.00 0.00 C ATOM 443 CG2 VAL A 31 -0.680 -4.556 -2.059 1.00 0.00 C ATOM 0 H VAL A 31 -4.609 -3.710 -2.334 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.690 -5.746 -3.493 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.984 -3.328 -3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.864 -2.353 -0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.543 -2.749 -1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.638 -3.812 -0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.017 -3.744 -1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.753 -5.205 -1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.320 -5.132 -2.911 1.00 0.00 H new ATOM 453 N LYS A 32 -2.253 -6.902 -1.228 1.00 0.00 N ATOM 454 CA LYS A 32 -2.348 -7.814 -0.050 1.00 0.00 C ATOM 455 C LYS A 32 -0.994 -7.913 0.656 1.00 0.00 C ATOM 456 O LYS A 32 0.017 -7.466 0.149 1.00 0.00 O ATOM 457 CB LYS A 32 -2.756 -9.173 -0.624 1.00 0.00 C ATOM 458 CG LYS A 32 -1.730 -9.622 -1.669 1.00 0.00 C ATOM 459 CD LYS A 32 -2.442 -9.920 -2.992 1.00 0.00 C ATOM 460 CE LYS A 32 -2.496 -11.434 -3.213 1.00 0.00 C ATOM 461 NZ LYS A 32 -3.150 -11.605 -4.540 1.00 0.00 N ATOM 0 H LYS A 32 -1.424 -7.028 -1.809 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.065 -7.455 0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.822 -9.911 0.175 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.745 -9.105 -1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.980 -8.844 -1.815 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.204 -10.510 -1.319 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.451 -9.508 -2.975 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.915 -9.440 -3.817 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.497 -11.870 -3.206 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.065 -11.928 -2.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.223 -12.618 -4.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.102 -11.186 -4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.582 -11.130 -5.271 1.00 0.00 H new ATOM 475 N GLU A 33 -0.965 -8.495 1.824 1.00 0.00 N ATOM 476 CA GLU A 33 0.323 -8.620 2.565 1.00 0.00 C ATOM 477 C GLU A 33 1.214 -9.679 1.910 1.00 0.00 C ATOM 478 O GLU A 33 0.743 -10.560 1.219 1.00 0.00 O ATOM 479 CB GLU A 33 -0.071 -9.053 3.977 1.00 0.00 C ATOM 480 CG GLU A 33 -0.823 -10.383 3.911 1.00 0.00 C ATOM 481 CD GLU A 33 -2.076 -10.304 4.786 1.00 0.00 C ATOM 482 OE1 GLU A 33 -3.106 -9.897 4.276 1.00 0.00 O ATOM 483 OE2 GLU A 33 -1.984 -10.652 5.952 1.00 0.00 O ATOM 0 H GLU A 33 -1.778 -8.890 2.297 1.00 0.00 H new ATOM 0 HA GLU A 33 0.888 -7.688 2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.818 -9.156 4.599 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.698 -8.291 4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.099 -10.606 2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.179 -11.194 4.251 1.00 0.00 H new ATOM 490 N GLY A 34 2.498 -9.598 2.122 1.00 0.00 N ATOM 491 CA GLY A 34 3.421 -10.598 1.513 1.00 0.00 C ATOM 492 C GLY A 34 3.405 -10.450 -0.009 1.00 0.00 C ATOM 493 O GLY A 34 3.719 -11.371 -0.735 1.00 0.00 O ATOM 0 H GLY A 34 2.949 -8.882 2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.433 -10.452 1.892 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.117 -11.607 1.794 1.00 0.00 H new ATOM 497 N ASP A 35 3.040 -9.296 -0.498 1.00 0.00 N ATOM 498 CA ASP A 35 3.003 -9.091 -1.974 1.00 0.00 C ATOM 499 C ASP A 35 3.986 -7.990 -2.376 1.00 0.00 C ATOM 500 O ASP A 35 4.473 -7.247 -1.547 1.00 0.00 O ATOM 501 CB ASP A 35 1.568 -8.665 -2.280 1.00 0.00 C ATOM 502 CG ASP A 35 1.005 -9.536 -3.404 1.00 0.00 C ATOM 503 OD1 ASP A 35 0.558 -10.633 -3.110 1.00 0.00 O ATOM 504 OD2 ASP A 35 1.030 -9.092 -4.540 1.00 0.00 O ATOM 0 H ASP A 35 2.766 -8.487 0.060 1.00 0.00 H new ATOM 0 HA ASP A 35 3.286 -9.989 -2.524 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.951 -8.762 -1.387 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.544 -7.615 -2.572 1.00 0.00 H new ATOM 509 N THR A 36 4.280 -7.876 -3.641 1.00 0.00 N ATOM 510 CA THR A 36 5.231 -6.819 -4.091 1.00 0.00 C ATOM 511 C THR A 36 4.481 -5.727 -4.858 1.00 0.00 C ATOM 512 O THR A 36 3.741 -6.000 -5.782 1.00 0.00 O ATOM 513 CB THR A 36 6.217 -7.541 -5.011 1.00 0.00 C ATOM 514 OG1 THR A 36 6.511 -8.822 -4.473 1.00 0.00 O ATOM 515 CG2 THR A 36 7.505 -6.725 -5.124 1.00 0.00 C ATOM 0 H THR A 36 3.904 -8.467 -4.382 1.00 0.00 H new ATOM 0 HA THR A 36 5.735 -6.332 -3.256 1.00 0.00 H new ATOM 0 HB THR A 36 5.775 -7.654 -6.001 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.141 -9.287 -5.062 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.206 -7.241 -5.780 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.278 -5.742 -5.537 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.950 -6.609 -4.136 1.00 0.00 H new ATOM 523 N VAL A 37 4.665 -4.492 -4.479 1.00 0.00 N ATOM 524 CA VAL A 37 3.961 -3.384 -5.185 1.00 0.00 C ATOM 525 C VAL A 37 4.953 -2.564 -6.014 1.00 0.00 C ATOM 526 O VAL A 37 6.142 -2.574 -5.766 1.00 0.00 O ATOM 527 CB VAL A 37 3.360 -2.525 -4.072 1.00 0.00 C ATOM 528 CG1 VAL A 37 4.476 -2.018 -3.157 1.00 0.00 C ATOM 529 CG2 VAL A 37 2.628 -1.331 -4.689 1.00 0.00 C ATOM 0 H VAL A 37 5.272 -4.202 -3.712 1.00 0.00 H new ATOM 0 HA VAL A 37 3.202 -3.754 -5.874 1.00 0.00 H new ATOM 0 HB VAL A 37 2.658 -3.124 -3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.046 -1.406 -2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.999 -2.867 -2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.178 -1.420 -3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.199 -0.718 -3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.331 -0.734 -5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.832 -1.690 -5.341 1.00 0.00 H new ATOM 539 N LYS A 38 4.469 -1.850 -6.994 1.00 0.00 N ATOM 540 CA LYS A 38 5.379 -1.022 -7.836 1.00 0.00 C ATOM 541 C LYS A 38 5.126 0.465 -7.569 1.00 0.00 C ATOM 542 O LYS A 38 4.283 0.825 -6.770 1.00 0.00 O ATOM 543 CB LYS A 38 5.019 -1.380 -9.279 1.00 0.00 C ATOM 544 CG LYS A 38 6.259 -1.914 -10.002 1.00 0.00 C ATOM 545 CD LYS A 38 5.826 -2.816 -11.159 1.00 0.00 C ATOM 546 CE LYS A 38 5.971 -4.283 -10.748 1.00 0.00 C ATOM 547 NZ LYS A 38 7.435 -4.553 -10.794 1.00 0.00 N ATOM 0 H LYS A 38 3.482 -1.804 -7.248 1.00 0.00 H new ATOM 0 HA LYS A 38 6.431 -1.211 -7.623 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.228 -2.130 -9.292 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.634 -0.501 -9.797 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.859 -1.085 -10.378 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.886 -2.472 -9.307 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.792 -2.605 -11.431 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.435 -2.613 -12.040 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.569 -4.455 -9.749 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.427 -4.939 -11.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.627 -5.313 -11.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.938 -3.691 -11.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.764 -4.844 -9.851 1.00 0.00 H new ATOM 561 N ALA A 39 5.847 1.332 -8.224 1.00 0.00 N ATOM 562 CA ALA A 39 5.640 2.793 -7.997 1.00 0.00 C ATOM 563 C ALA A 39 4.587 3.338 -8.966 1.00 0.00 C ATOM 564 O ALA A 39 4.708 3.205 -10.168 1.00 0.00 O ATOM 565 CB ALA A 39 7.000 3.436 -8.266 1.00 0.00 C ATOM 0 H ALA A 39 6.569 1.095 -8.905 1.00 0.00 H new ATOM 0 HA ALA A 39 5.282 3.005 -6.989 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.928 4.514 -8.119 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.739 3.025 -7.579 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.304 3.229 -9.292 1.00 0.00 H new ATOM 571 N GLY A 40 3.559 3.955 -8.453 1.00 0.00 N ATOM 572 CA GLY A 40 2.502 4.512 -9.347 1.00 0.00 C ATOM 573 C GLY A 40 1.449 3.438 -9.630 1.00 0.00 C ATOM 574 O GLY A 40 0.783 3.461 -10.646 1.00 0.00 O ATOM 0 H GLY A 40 3.404 4.098 -7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.035 5.379 -8.879 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.946 4.855 -10.281 1.00 0.00 H new ATOM 578 N GLN A 41 1.292 2.497 -8.740 1.00 0.00 N ATOM 579 CA GLN A 41 0.281 1.423 -8.963 1.00 0.00 C ATOM 580 C GLN A 41 -0.842 1.526 -7.926 1.00 0.00 C ATOM 581 O GLN A 41 -0.608 1.473 -6.736 1.00 0.00 O ATOM 582 CB GLN A 41 1.052 0.115 -8.789 1.00 0.00 C ATOM 583 CG GLN A 41 0.131 -1.067 -9.101 1.00 0.00 C ATOM 584 CD GLN A 41 0.589 -2.296 -8.315 1.00 0.00 C ATOM 585 OE1 GLN A 41 0.335 -2.403 -7.132 1.00 0.00 O ATOM 586 NE2 GLN A 41 1.257 -3.234 -8.927 1.00 0.00 N ATOM 0 H GLN A 41 1.819 2.425 -7.869 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.188 1.495 -9.944 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.917 0.100 -9.452 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.430 0.036 -7.770 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.898 -0.818 -8.840 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.146 -1.280 -10.170 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.470 -3.143 -9.920 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.567 -4.058 -8.412 1.00 0.00 H new ATOM 595 N THR A 42 -2.061 1.669 -8.370 1.00 0.00 N ATOM 596 CA THR A 42 -3.202 1.771 -7.411 1.00 0.00 C ATOM 597 C THR A 42 -3.232 0.547 -6.494 1.00 0.00 C ATOM 598 O THR A 42 -3.536 -0.551 -6.919 1.00 0.00 O ATOM 599 CB THR A 42 -4.452 1.811 -8.289 1.00 0.00 C ATOM 600 OG1 THR A 42 -4.295 2.806 -9.291 1.00 0.00 O ATOM 601 CG2 THR A 42 -5.672 2.139 -7.428 1.00 0.00 C ATOM 0 H THR A 42 -2.318 1.720 -9.356 1.00 0.00 H new ATOM 0 HA THR A 42 -3.125 2.648 -6.768 1.00 0.00 H new ATOM 0 HB THR A 42 -4.595 0.839 -8.762 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.096 2.831 -9.855 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.563 2.167 -8.055 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.792 1.374 -6.661 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.532 3.110 -6.953 1.00 0.00 H new ATOM 609 N VAL A 43 -2.919 0.724 -5.240 1.00 0.00 N ATOM 610 CA VAL A 43 -2.931 -0.434 -4.303 1.00 0.00 C ATOM 611 C VAL A 43 -4.263 -0.502 -3.553 1.00 0.00 C ATOM 612 O VAL A 43 -4.637 -1.535 -3.036 1.00 0.00 O ATOM 613 CB VAL A 43 -1.782 -0.175 -3.329 1.00 0.00 C ATOM 614 CG1 VAL A 43 -0.463 -0.119 -4.099 1.00 0.00 C ATOM 615 CG2 VAL A 43 -2.011 1.158 -2.612 1.00 0.00 C ATOM 0 H VAL A 43 -2.656 1.618 -4.825 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.815 -1.383 -4.827 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.740 -0.980 -2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.356 0.066 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.299 -1.068 -4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.504 0.685 -4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.192 1.343 -1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.053 1.963 -3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.951 1.118 -2.062 1.00 0.00 H new ATOM 625 N LEU A 44 -4.982 0.588 -3.477 1.00 0.00 N ATOM 626 CA LEU A 44 -6.282 0.553 -2.742 1.00 0.00 C ATOM 627 C LEU A 44 -7.297 1.518 -3.359 1.00 0.00 C ATOM 628 O LEU A 44 -6.990 2.285 -4.248 1.00 0.00 O ATOM 629 CB LEU A 44 -5.941 0.987 -1.317 1.00 0.00 C ATOM 630 CG LEU A 44 -5.706 -0.250 -0.448 1.00 0.00 C ATOM 631 CD1 LEU A 44 -4.334 -0.148 0.221 1.00 0.00 C ATOM 632 CD2 LEU A 44 -6.794 -0.333 0.626 1.00 0.00 C ATOM 0 H LEU A 44 -4.731 1.488 -3.885 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.736 -0.437 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.051 1.616 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.753 1.586 -0.904 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.742 -1.145 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.165 -1.029 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.560 -0.088 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.298 0.746 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.627 -1.214 1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.759 0.561 1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.771 -0.405 0.149 1.00 0.00 H new ATOM 644 N VAL A 45 -8.510 1.484 -2.875 1.00 0.00 N ATOM 645 CA VAL A 45 -9.564 2.396 -3.403 1.00 0.00 C ATOM 646 C VAL A 45 -10.190 3.171 -2.240 1.00 0.00 C ATOM 647 O VAL A 45 -10.835 2.599 -1.383 1.00 0.00 O ATOM 648 CB VAL A 45 -10.595 1.478 -4.061 1.00 0.00 C ATOM 649 CG1 VAL A 45 -11.686 2.325 -4.719 1.00 0.00 C ATOM 650 CG2 VAL A 45 -9.910 0.619 -5.124 1.00 0.00 C ATOM 0 H VAL A 45 -8.817 0.858 -2.131 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.175 3.128 -4.111 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.041 0.833 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.421 1.671 -5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.176 2.938 -3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.239 2.970 -5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.645 -0.035 -5.593 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.464 1.264 -5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.132 0.015 -4.658 1.00 0.00 H new ATOM 660 N LEU A 46 -9.996 4.460 -2.187 1.00 0.00 N ATOM 661 CA LEU A 46 -10.573 5.249 -1.059 1.00 0.00 C ATOM 662 C LEU A 46 -11.692 6.170 -1.548 1.00 0.00 C ATOM 663 O LEU A 46 -11.847 6.407 -2.729 1.00 0.00 O ATOM 664 CB LEU A 46 -9.404 6.071 -0.514 1.00 0.00 C ATOM 665 CG LEU A 46 -9.227 5.785 0.979 1.00 0.00 C ATOM 666 CD1 LEU A 46 -8.486 4.458 1.158 1.00 0.00 C ATOM 667 CD2 LEU A 46 -8.418 6.912 1.624 1.00 0.00 C ATOM 0 H LEU A 46 -9.466 5.000 -2.871 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.016 4.604 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.490 5.823 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.589 7.134 -0.672 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.205 5.723 1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.359 4.253 2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.063 3.655 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.508 4.520 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.293 6.707 2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.439 6.975 1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.945 7.857 1.496 1.00 0.00 H new ATOM 679 N GLU A 47 -12.469 6.691 -0.639 1.00 0.00 N ATOM 680 CA GLU A 47 -13.581 7.603 -1.032 1.00 0.00 C ATOM 681 C GLU A 47 -13.751 8.695 0.026 1.00 0.00 C ATOM 682 O GLU A 47 -14.616 8.620 0.877 1.00 0.00 O ATOM 683 CB GLU A 47 -14.824 6.713 -1.087 1.00 0.00 C ATOM 684 CG GLU A 47 -14.974 6.127 -2.494 1.00 0.00 C ATOM 685 CD GLU A 47 -15.806 7.075 -3.358 1.00 0.00 C ATOM 686 OE1 GLU A 47 -16.503 7.903 -2.794 1.00 0.00 O ATOM 687 OE2 GLU A 47 -15.734 6.957 -4.570 1.00 0.00 O ATOM 0 H GLU A 47 -12.382 6.524 0.363 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.397 8.100 -1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.741 5.910 -0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.710 7.292 -0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.992 5.977 -2.943 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.454 5.150 -2.443 1.00 0.00 H new ATOM 694 N ALA A 48 -12.928 9.707 -0.013 1.00 0.00 N ATOM 695 CA ALA A 48 -13.040 10.797 0.997 1.00 0.00 C ATOM 696 C ALA A 48 -14.039 11.855 0.526 1.00 0.00 C ATOM 697 O ALA A 48 -14.829 11.623 -0.368 1.00 0.00 O ATOM 698 CB ALA A 48 -11.636 11.390 1.094 1.00 0.00 C ATOM 0 H ALA A 48 -12.184 9.826 -0.700 1.00 0.00 H new ATOM 0 HA ALA A 48 -13.397 10.433 1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.634 12.203 1.820 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.936 10.617 1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.335 11.774 0.119 1.00 0.00 H new ATOM 704 N MET A 49 -14.011 13.016 1.118 1.00 0.00 N ATOM 705 CA MET A 49 -14.958 14.087 0.700 1.00 0.00 C ATOM 706 C MET A 49 -14.389 14.853 -0.494 1.00 0.00 C ATOM 707 O MET A 49 -14.297 16.064 -0.483 1.00 0.00 O ATOM 708 CB MET A 49 -15.089 15.001 1.918 1.00 0.00 C ATOM 709 CG MET A 49 -13.719 15.594 2.261 1.00 0.00 C ATOM 710 SD MET A 49 -13.744 17.384 1.988 1.00 0.00 S ATOM 711 CE MET A 49 -12.774 17.848 3.444 1.00 0.00 C ATOM 0 H MET A 49 -13.374 13.270 1.873 1.00 0.00 H new ATOM 0 HA MET A 49 -15.924 13.689 0.390 1.00 0.00 H new ATOM 0 HB2 MET A 49 -15.802 15.800 1.712 1.00 0.00 H new ATOM 0 HB3 MET A 49 -15.477 14.439 2.768 1.00 0.00 H new ATOM 0 HG2 MET A 49 -13.468 15.378 3.300 1.00 0.00 H new ATOM 0 HG3 MET A 49 -12.948 15.133 1.644 1.00 0.00 H new ATOM 0 HE1 MET A 49 -12.663 18.932 3.477 1.00 0.00 H new ATOM 0 HE2 MET A 49 -13.285 17.508 4.345 1.00 0.00 H new ATOM 0 HE3 MET A 49 -11.789 17.384 3.388 1.00 0.00 H new ATOM 721 N LYS A 50 -14.007 14.153 -1.526 1.00 0.00 N ATOM 722 CA LYS A 50 -13.445 14.833 -2.724 1.00 0.00 C ATOM 723 C LYS A 50 -13.333 13.842 -3.884 1.00 0.00 C ATOM 724 O LYS A 50 -13.870 14.060 -4.953 1.00 0.00 O ATOM 725 CB LYS A 50 -12.059 15.316 -2.293 1.00 0.00 C ATOM 726 CG LYS A 50 -11.558 16.376 -3.276 1.00 0.00 C ATOM 727 CD LYS A 50 -10.029 16.351 -3.319 1.00 0.00 C ATOM 728 CE LYS A 50 -9.528 17.385 -4.331 1.00 0.00 C ATOM 729 NZ LYS A 50 -8.043 17.285 -4.278 1.00 0.00 N ATOM 0 H LYS A 50 -14.060 13.136 -1.590 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.072 15.656 -3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -12.104 15.731 -1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.364 14.477 -2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.963 16.186 -4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.908 17.363 -2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.624 16.568 -2.331 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.679 15.357 -3.596 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.903 17.172 -5.332 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.866 18.388 -4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.625 17.964 -4.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.715 17.500 -3.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.751 16.321 -4.537 1.00 0.00 H new ATOM 743 N MET A 51 -12.638 12.749 -3.684 1.00 0.00 N ATOM 744 CA MET A 51 -12.491 11.733 -4.777 1.00 0.00 C ATOM 745 C MET A 51 -11.529 10.623 -4.349 1.00 0.00 C ATOM 746 O MET A 51 -11.932 9.512 -4.066 1.00 0.00 O ATOM 747 CB MET A 51 -11.910 12.491 -5.980 1.00 0.00 C ATOM 748 CG MET A 51 -12.870 12.379 -7.166 1.00 0.00 C ATOM 749 SD MET A 51 -11.937 11.976 -8.664 1.00 0.00 S ATOM 750 CE MET A 51 -12.965 12.904 -9.831 1.00 0.00 C ATOM 0 H MET A 51 -12.165 12.515 -2.811 1.00 0.00 H new ATOM 0 HA MET A 51 -13.446 11.265 -5.014 1.00 0.00 H new ATOM 0 HB2 MET A 51 -11.754 13.539 -5.722 1.00 0.00 H new ATOM 0 HB3 MET A 51 -10.936 12.080 -6.247 1.00 0.00 H new ATOM 0 HG2 MET A 51 -13.616 11.609 -6.972 1.00 0.00 H new ATOM 0 HG3 MET A 51 -13.408 13.317 -7.302 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.563 12.793 -10.838 1.00 0.00 H new ATOM 0 HE2 MET A 51 -13.985 12.520 -9.803 1.00 0.00 H new ATOM 0 HE3 MET A 51 -12.967 13.959 -9.556 1.00 0.00 H new ATOM 760 N GLU A 52 -10.256 10.914 -4.310 1.00 0.00 N ATOM 761 CA GLU A 52 -9.261 9.877 -3.912 1.00 0.00 C ATOM 762 C GLU A 52 -9.430 8.626 -4.789 1.00 0.00 C ATOM 763 O GLU A 52 -8.858 8.537 -5.857 1.00 0.00 O ATOM 764 CB GLU A 52 -9.565 9.571 -2.442 1.00 0.00 C ATOM 765 CG GLU A 52 -9.092 10.735 -1.569 1.00 0.00 C ATOM 766 CD GLU A 52 -7.640 10.498 -1.147 1.00 0.00 C ATOM 767 OE1 GLU A 52 -6.802 10.374 -2.024 1.00 0.00 O ATOM 768 OE2 GLU A 52 -7.392 10.446 0.046 1.00 0.00 O ATOM 0 H GLU A 52 -9.862 11.827 -4.537 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.232 10.213 -4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.635 9.412 -2.306 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.066 8.650 -2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.174 11.673 -2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.728 10.825 -0.688 1.00 0.00 H new ATOM 775 N THR A 53 -10.213 7.669 -4.359 1.00 0.00 N ATOM 776 CA THR A 53 -10.420 6.437 -5.179 1.00 0.00 C ATOM 777 C THR A 53 -9.076 5.818 -5.596 1.00 0.00 C ATOM 778 O THR A 53 -8.536 4.981 -4.907 1.00 0.00 O ATOM 779 CB THR A 53 -11.214 6.905 -6.399 1.00 0.00 C ATOM 780 OG1 THR A 53 -12.490 7.368 -5.982 1.00 0.00 O ATOM 781 CG2 THR A 53 -11.388 5.743 -7.379 1.00 0.00 C ATOM 0 H THR A 53 -10.719 7.688 -3.473 1.00 0.00 H new ATOM 0 HA THR A 53 -10.946 5.661 -4.624 1.00 0.00 H new ATOM 0 HB THR A 53 -10.675 7.714 -6.892 1.00 0.00 H new ATOM 0 HG1 THR A 53 -12.383 8.173 -5.433 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.954 6.081 -8.247 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.409 5.388 -7.700 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.925 4.931 -6.889 1.00 0.00 H new ATOM 789 N GLU A 54 -8.534 6.209 -6.720 1.00 0.00 N ATOM 790 CA GLU A 54 -7.237 5.620 -7.166 1.00 0.00 C ATOM 791 C GLU A 54 -6.124 5.904 -6.150 1.00 0.00 C ATOM 792 O GLU A 54 -5.573 6.985 -6.105 1.00 0.00 O ATOM 793 CB GLU A 54 -6.931 6.312 -8.495 1.00 0.00 C ATOM 794 CG GLU A 54 -6.198 5.339 -9.422 1.00 0.00 C ATOM 795 CD GLU A 54 -5.608 6.109 -10.604 1.00 0.00 C ATOM 796 OE1 GLU A 54 -5.096 7.194 -10.384 1.00 0.00 O ATOM 797 OE2 GLU A 54 -5.679 5.601 -11.712 1.00 0.00 O ATOM 0 H GLU A 54 -8.932 6.909 -7.347 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.297 4.536 -7.263 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.856 6.649 -8.963 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.319 7.198 -8.323 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.406 4.826 -8.876 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.886 4.573 -9.780 1.00 0.00 H new ATOM 804 N ILE A 55 -5.777 4.933 -5.346 1.00 0.00 N ATOM 805 CA ILE A 55 -4.686 5.142 -4.349 1.00 0.00 C ATOM 806 C ILE A 55 -3.408 4.446 -4.833 1.00 0.00 C ATOM 807 O ILE A 55 -3.166 3.291 -4.533 1.00 0.00 O ATOM 808 CB ILE A 55 -5.189 4.511 -3.047 1.00 0.00 C ATOM 809 CG1 ILE A 55 -6.387 5.304 -2.520 1.00 0.00 C ATOM 810 CG2 ILE A 55 -4.072 4.531 -2.000 1.00 0.00 C ATOM 811 CD1 ILE A 55 -5.983 6.764 -2.307 1.00 0.00 C ATOM 0 H ILE A 55 -6.201 4.006 -5.337 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.449 6.197 -4.209 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.489 3.481 -3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.215 5.245 -3.227 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.737 4.873 -1.582 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.433 4.082 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.217 3.965 -2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.770 5.561 -1.810 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.838 7.327 -1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.169 6.815 -1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.654 7.192 -3.254 1.00 0.00 H new ATOM 823 N ASN A 56 -2.600 5.145 -5.588 1.00 0.00 N ATOM 824 CA ASN A 56 -1.334 4.547 -6.112 1.00 0.00 C ATOM 825 C ASN A 56 -0.293 4.425 -4.999 1.00 0.00 C ATOM 826 O ASN A 56 -0.086 5.337 -4.222 1.00 0.00 O ATOM 827 CB ASN A 56 -0.853 5.524 -7.187 1.00 0.00 C ATOM 828 CG ASN A 56 -1.963 5.745 -8.216 1.00 0.00 C ATOM 829 OD1 ASN A 56 -2.508 6.827 -8.318 1.00 0.00 O ATOM 830 ND2 ASN A 56 -2.324 4.759 -8.991 1.00 0.00 N ATOM 0 H ASN A 56 -2.764 6.112 -5.866 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.489 3.543 -6.506 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.573 6.473 -6.730 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.038 5.131 -7.677 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.062 4.897 -9.681 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.868 3.851 -8.907 1.00 0.00 H new ATOM 837 N ALA A 57 0.369 3.304 -4.921 1.00 0.00 N ATOM 838 CA ALA A 57 1.405 3.117 -3.863 1.00 0.00 C ATOM 839 C ALA A 57 2.448 4.241 -3.936 1.00 0.00 C ATOM 840 O ALA A 57 2.491 4.981 -4.897 1.00 0.00 O ATOM 841 CB ALA A 57 2.052 1.769 -4.178 1.00 0.00 C ATOM 0 H ALA A 57 0.238 2.507 -5.544 1.00 0.00 H new ATOM 0 HA ALA A 57 0.979 3.143 -2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.828 1.557 -3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.295 0.985 -4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.495 1.802 -5.173 1.00 0.00 H new ATOM 847 N PRO A 58 3.263 4.328 -2.912 1.00 0.00 N ATOM 848 CA PRO A 58 4.316 5.372 -2.870 1.00 0.00 C ATOM 849 C PRO A 58 5.457 5.023 -3.831 1.00 0.00 C ATOM 850 O PRO A 58 5.849 5.821 -4.660 1.00 0.00 O ATOM 851 CB PRO A 58 4.801 5.337 -1.423 1.00 0.00 C ATOM 852 CG PRO A 58 4.481 3.958 -0.938 1.00 0.00 C ATOM 853 CD PRO A 58 3.279 3.480 -1.711 1.00 0.00 C ATOM 0 HA PRO A 58 3.953 6.355 -3.171 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.870 5.539 -1.361 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.298 6.093 -0.820 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.328 3.290 -1.093 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.272 3.965 0.132 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.366 2.425 -1.970 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.362 3.592 -1.132 1.00 0.00 H new ATOM 861 N THR A 59 5.996 3.838 -3.725 1.00 0.00 N ATOM 862 CA THR A 59 7.114 3.442 -4.633 1.00 0.00 C ATOM 863 C THR A 59 7.247 1.915 -4.670 1.00 0.00 C ATOM 864 O THR A 59 6.631 1.211 -3.894 1.00 0.00 O ATOM 865 CB THR A 59 8.382 4.073 -4.037 1.00 0.00 C ATOM 866 OG1 THR A 59 8.032 5.073 -3.086 1.00 0.00 O ATOM 867 CG2 THR A 59 9.210 4.706 -5.156 1.00 0.00 C ATOM 0 H THR A 59 5.712 3.127 -3.051 1.00 0.00 H new ATOM 0 HA THR A 59 6.942 3.779 -5.655 1.00 0.00 H new ATOM 0 HB THR A 59 8.964 3.297 -3.540 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.847 5.468 -2.711 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.110 5.154 -4.734 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.491 3.940 -5.879 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.621 5.476 -5.654 1.00 0.00 H new ATOM 875 N ASP A 60 8.048 1.400 -5.564 1.00 0.00 N ATOM 876 CA ASP A 60 8.220 -0.080 -5.650 1.00 0.00 C ATOM 877 C ASP A 60 8.713 -0.635 -4.311 1.00 0.00 C ATOM 878 O ASP A 60 9.559 -0.053 -3.662 1.00 0.00 O ATOM 879 CB ASP A 60 9.279 -0.296 -6.733 1.00 0.00 C ATOM 880 CG ASP A 60 8.725 0.141 -8.089 1.00 0.00 C ATOM 881 OD1 ASP A 60 8.644 1.337 -8.315 1.00 0.00 O ATOM 882 OD2 ASP A 60 8.392 -0.727 -8.880 1.00 0.00 O ATOM 0 H ASP A 60 8.591 1.940 -6.238 1.00 0.00 H new ATOM 0 HA ASP A 60 7.284 -0.588 -5.884 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.177 0.274 -6.496 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.568 -1.346 -6.769 1.00 0.00 H new ATOM 887 N GLY A 61 8.193 -1.756 -3.894 1.00 0.00 N ATOM 888 CA GLY A 61 8.639 -2.344 -2.599 1.00 0.00 C ATOM 889 C GLY A 61 7.712 -3.494 -2.207 1.00 0.00 C ATOM 890 O GLY A 61 6.697 -3.727 -2.832 1.00 0.00 O ATOM 0 H GLY A 61 7.480 -2.289 -4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.664 -2.704 -2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.635 -1.580 -1.821 1.00 0.00 H new ATOM 894 N LYS A 62 8.053 -4.217 -1.174 1.00 0.00 N ATOM 895 CA LYS A 62 7.190 -5.353 -0.740 1.00 0.00 C ATOM 896 C LYS A 62 6.508 -5.014 0.589 1.00 0.00 C ATOM 897 O LYS A 62 7.035 -4.274 1.396 1.00 0.00 O ATOM 898 CB LYS A 62 8.145 -6.534 -0.571 1.00 0.00 C ATOM 899 CG LYS A 62 7.339 -7.816 -0.354 1.00 0.00 C ATOM 900 CD LYS A 62 8.233 -8.880 0.284 1.00 0.00 C ATOM 901 CE LYS A 62 8.462 -8.536 1.757 1.00 0.00 C ATOM 902 NZ LYS A 62 7.442 -9.327 2.498 1.00 0.00 N ATOM 0 H LYS A 62 8.892 -4.070 -0.612 1.00 0.00 H new ATOM 0 HA LYS A 62 6.399 -5.572 -1.457 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.776 -6.634 -1.454 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.808 -6.361 0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.481 -7.614 0.288 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.948 -8.177 -1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.767 -9.862 0.197 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.187 -8.932 -0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.472 -8.800 2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.341 -7.468 1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.901 -9.846 3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.723 -8.686 2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.988 -10.002 1.850 1.00 0.00 H new ATOM 916 N VAL A 63 5.338 -5.544 0.822 1.00 0.00 N ATOM 917 CA VAL A 63 4.627 -5.244 2.099 1.00 0.00 C ATOM 918 C VAL A 63 5.224 -6.064 3.247 1.00 0.00 C ATOM 919 O VAL A 63 5.283 -7.278 3.195 1.00 0.00 O ATOM 920 CB VAL A 63 3.164 -5.635 1.840 1.00 0.00 C ATOM 921 CG1 VAL A 63 2.391 -5.733 3.161 1.00 0.00 C ATOM 922 CG2 VAL A 63 2.512 -4.568 0.966 1.00 0.00 C ATOM 0 H VAL A 63 4.844 -6.170 0.186 1.00 0.00 H new ATOM 0 HA VAL A 63 4.718 -4.197 2.390 1.00 0.00 H new ATOM 0 HB VAL A 63 3.141 -6.604 1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.357 -6.011 2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.852 -6.489 3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.414 -4.769 3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.473 -4.838 0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.550 -3.606 1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.046 -4.497 0.019 1.00 0.00 H new ATOM 932 N GLU A 64 5.649 -5.407 4.289 1.00 0.00 N ATOM 933 CA GLU A 64 6.221 -6.137 5.452 1.00 0.00 C ATOM 934 C GLU A 64 5.180 -6.233 6.575 1.00 0.00 C ATOM 935 O GLU A 64 5.391 -6.895 7.572 1.00 0.00 O ATOM 936 CB GLU A 64 7.418 -5.298 5.897 1.00 0.00 C ATOM 937 CG GLU A 64 8.487 -5.313 4.802 1.00 0.00 C ATOM 938 CD GLU A 64 9.873 -5.419 5.442 1.00 0.00 C ATOM 939 OE1 GLU A 64 10.255 -4.490 6.136 1.00 0.00 O ATOM 940 OE2 GLU A 64 10.527 -6.424 5.226 1.00 0.00 O ATOM 0 H GLU A 64 5.624 -4.392 4.385 1.00 0.00 H new ATOM 0 HA GLU A 64 6.513 -7.157 5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.103 -4.274 6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.828 -5.694 6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.321 -6.154 4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.420 -4.406 4.202 1.00 0.00 H new ATOM 947 N LYS A 65 4.054 -5.577 6.424 1.00 0.00 N ATOM 948 CA LYS A 65 3.003 -5.634 7.483 1.00 0.00 C ATOM 949 C LYS A 65 1.775 -4.832 7.043 1.00 0.00 C ATOM 950 O LYS A 65 1.881 -3.876 6.302 1.00 0.00 O ATOM 951 CB LYS A 65 3.640 -4.996 8.720 1.00 0.00 C ATOM 952 CG LYS A 65 3.175 -5.739 9.974 1.00 0.00 C ATOM 953 CD LYS A 65 3.814 -5.104 11.210 1.00 0.00 C ATOM 954 CE LYS A 65 3.560 -5.992 12.429 1.00 0.00 C ATOM 955 NZ LYS A 65 2.454 -5.322 13.169 1.00 0.00 N ATOM 0 H LYS A 65 3.820 -5.005 5.612 1.00 0.00 H new ATOM 0 HA LYS A 65 2.672 -6.654 7.679 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.727 -5.035 8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.362 -3.944 8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.089 -5.698 10.052 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.451 -6.792 9.909 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.886 -4.979 11.055 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.398 -4.110 11.378 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.280 -7.002 12.130 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.453 -6.079 13.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.222 -5.873 14.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.752 -4.365 13.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.615 -5.260 12.558 1.00 0.00 H new ATOM 969 N VAL A 66 0.611 -5.213 7.491 1.00 0.00 N ATOM 970 CA VAL A 66 -0.617 -4.469 7.092 1.00 0.00 C ATOM 971 C VAL A 66 -1.290 -3.852 8.321 1.00 0.00 C ATOM 972 O VAL A 66 -1.263 -4.407 9.402 1.00 0.00 O ATOM 973 CB VAL A 66 -1.525 -5.519 6.452 1.00 0.00 C ATOM 974 CG1 VAL A 66 -1.757 -6.667 7.437 1.00 0.00 C ATOM 975 CG2 VAL A 66 -2.866 -4.880 6.084 1.00 0.00 C ATOM 0 H VAL A 66 0.457 -6.005 8.115 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.397 -3.648 6.409 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.050 -5.907 5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.405 -7.414 6.979 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.802 -7.124 7.695 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.230 -6.282 8.340 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.513 -5.629 5.628 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.342 -4.489 6.983 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.700 -4.066 5.378 1.00 0.00 H new ATOM 985 N LEU A 67 -1.895 -2.706 8.163 1.00 0.00 N ATOM 986 CA LEU A 67 -2.572 -2.050 9.319 1.00 0.00 C ATOM 987 C LEU A 67 -4.062 -1.870 9.025 1.00 0.00 C ATOM 988 O LEU A 67 -4.905 -2.509 9.623 1.00 0.00 O ATOM 989 CB LEU A 67 -1.886 -0.692 9.458 1.00 0.00 C ATOM 990 CG LEU A 67 -0.833 -0.763 10.563 1.00 0.00 C ATOM 991 CD1 LEU A 67 0.435 -0.038 10.106 1.00 0.00 C ATOM 992 CD2 LEU A 67 -1.377 -0.095 11.827 1.00 0.00 C ATOM 0 H LEU A 67 -1.950 -2.195 7.282 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.498 -2.641 10.232 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.419 -0.410 8.514 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.622 0.077 9.692 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.597 -1.806 10.776 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.187 -0.088 10.894 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.821 -0.514 9.205 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.201 1.005 9.894 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.627 -0.145 12.616 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.612 0.948 11.615 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.280 -0.612 12.152 1.00 0.00 H new ATOM 1004 N VAL A 68 -4.395 -1.004 8.108 1.00 0.00 N ATOM 1005 CA VAL A 68 -5.833 -0.785 7.777 1.00 0.00 C ATOM 1006 C VAL A 68 -6.362 -1.951 6.940 1.00 0.00 C ATOM 1007 O VAL A 68 -5.610 -2.675 6.318 1.00 0.00 O ATOM 1008 CB VAL A 68 -5.862 0.513 6.968 1.00 0.00 C ATOM 1009 CG1 VAL A 68 -5.363 1.668 7.839 1.00 0.00 C ATOM 1010 CG2 VAL A 68 -4.959 0.373 5.742 1.00 0.00 C ATOM 0 H VAL A 68 -3.735 -0.439 7.574 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.458 -0.722 8.668 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.883 0.715 6.645 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.383 2.593 7.263 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.007 1.770 8.712 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.342 1.465 8.163 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.981 1.298 5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.938 0.170 6.064 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.314 -0.449 5.121 1.00 0.00 H new ATOM 1020 N LYS A 69 -7.653 -2.143 6.921 1.00 0.00 N ATOM 1021 CA LYS A 69 -8.227 -3.265 6.124 1.00 0.00 C ATOM 1022 C LYS A 69 -9.361 -2.754 5.231 1.00 0.00 C ATOM 1023 O LYS A 69 -9.522 -1.567 5.033 1.00 0.00 O ATOM 1024 CB LYS A 69 -8.766 -4.252 7.160 1.00 0.00 C ATOM 1025 CG LYS A 69 -8.357 -5.674 6.772 1.00 0.00 C ATOM 1026 CD LYS A 69 -6.906 -5.919 7.193 1.00 0.00 C ATOM 1027 CE LYS A 69 -6.632 -7.424 7.227 1.00 0.00 C ATOM 1028 NZ LYS A 69 -6.295 -7.784 5.822 1.00 0.00 N ATOM 0 H LYS A 69 -8.334 -1.573 7.422 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.488 -3.725 5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.376 -4.007 8.148 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.852 -4.178 7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.014 -6.398 7.254 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.464 -5.814 5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.226 -5.430 6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.722 -5.483 8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.811 -7.661 7.903 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.504 -7.976 7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.094 -8.803 5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.098 -7.553 5.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.458 -7.248 5.518 1.00 0.00 H new ATOM 1042 N GLU A 70 -10.148 -3.643 4.691 1.00 0.00 N ATOM 1043 CA GLU A 70 -11.271 -3.210 3.813 1.00 0.00 C ATOM 1044 C GLU A 70 -12.511 -2.902 4.655 1.00 0.00 C ATOM 1045 O GLU A 70 -12.672 -3.411 5.746 1.00 0.00 O ATOM 1046 CB GLU A 70 -11.534 -4.401 2.889 1.00 0.00 C ATOM 1047 CG GLU A 70 -11.898 -3.895 1.493 1.00 0.00 C ATOM 1048 CD GLU A 70 -13.394 -4.104 1.246 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -14.180 -3.579 2.016 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -13.726 -4.787 0.291 1.00 0.00 O ATOM 0 H GLU A 70 -10.062 -4.651 4.820 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.033 -2.305 3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.650 -5.037 2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.343 -5.012 3.288 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.648 -2.838 1.402 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.317 -4.426 0.739 1.00 0.00 H new ATOM 1057 N ARG A 71 -13.389 -2.072 4.159 1.00 0.00 N ATOM 1058 CA ARG A 71 -14.619 -1.734 4.936 1.00 0.00 C ATOM 1059 C ARG A 71 -14.238 -1.199 6.319 1.00 0.00 C ATOM 1060 O ARG A 71 -14.997 -1.296 7.262 1.00 0.00 O ATOM 1061 CB ARG A 71 -15.385 -3.052 5.063 1.00 0.00 C ATOM 1062 CG ARG A 71 -16.839 -2.766 5.448 1.00 0.00 C ATOM 1063 CD ARG A 71 -17.637 -4.072 5.431 1.00 0.00 C ATOM 1064 NE ARG A 71 -18.888 -3.749 4.691 1.00 0.00 N ATOM 1065 CZ ARG A 71 -19.820 -4.654 4.559 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -19.998 -5.244 3.409 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -20.573 -4.969 5.577 1.00 0.00 N ATOM 0 H ARG A 71 -13.309 -1.614 3.251 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.216 -0.963 4.449 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -15.348 -3.598 4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.917 -3.685 5.816 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.882 -2.314 6.439 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.277 -2.051 4.752 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -17.080 -4.868 4.937 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -17.854 -4.415 6.443 1.00 0.00 H new ATOM 0 HE ARG A 71 -19.017 -2.821 4.287 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -19.409 -4.998 2.613 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -20.726 -5.951 3.306 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -20.434 -4.508 6.476 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -21.301 -5.676 5.473 1.00 0.00 H new ATOM 1081 N ASP A 72 -13.068 -0.637 6.445 1.00 0.00 N ATOM 1082 CA ASP A 72 -12.639 -0.098 7.767 1.00 0.00 C ATOM 1083 C ASP A 72 -12.402 1.412 7.672 1.00 0.00 C ATOM 1084 O ASP A 72 -11.418 1.862 7.122 1.00 0.00 O ATOM 1085 CB ASP A 72 -11.333 -0.826 8.085 1.00 0.00 C ATOM 1086 CG ASP A 72 -11.410 -1.423 9.491 1.00 0.00 C ATOM 1087 OD1 ASP A 72 -12.502 -1.781 9.903 1.00 0.00 O ATOM 1088 OD2 ASP A 72 -10.376 -1.514 10.133 1.00 0.00 O ATOM 0 H ASP A 72 -12.390 -0.527 5.691 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.392 -0.253 8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.156 -1.614 7.353 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.493 -0.134 8.018 1.00 0.00 H new ATOM 1093 N ALA A 73 -13.297 2.197 8.207 1.00 0.00 N ATOM 1094 CA ALA A 73 -13.121 3.676 8.148 1.00 0.00 C ATOM 1095 C ALA A 73 -11.773 4.068 8.760 1.00 0.00 C ATOM 1096 O ALA A 73 -11.372 3.553 9.785 1.00 0.00 O ATOM 1097 CB ALA A 73 -14.274 4.247 8.974 1.00 0.00 C ATOM 0 H ALA A 73 -14.142 1.879 8.682 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.129 4.055 7.126 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.214 5.335 8.979 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -15.223 3.938 8.536 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.208 3.875 9.997 1.00 0.00 H new ATOM 1103 N VAL A 74 -11.072 4.976 8.139 1.00 0.00 N ATOM 1104 CA VAL A 74 -9.750 5.399 8.687 1.00 0.00 C ATOM 1105 C VAL A 74 -9.674 6.928 8.763 1.00 0.00 C ATOM 1106 O VAL A 74 -10.006 7.623 7.824 1.00 0.00 O ATOM 1107 CB VAL A 74 -8.717 4.855 7.698 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -8.907 5.517 6.331 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -7.308 5.152 8.217 1.00 0.00 C ATOM 0 H VAL A 74 -11.355 5.443 7.278 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.581 5.024 9.696 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.850 3.778 7.597 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.169 5.125 5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.909 5.303 5.959 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -8.779 6.595 6.428 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.572 4.765 7.513 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.178 6.229 8.322 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.169 4.674 9.187 1.00 0.00 H new ATOM 1119 N GLN A 75 -9.244 7.456 9.877 1.00 0.00 N ATOM 1120 CA GLN A 75 -9.151 8.938 10.012 1.00 0.00 C ATOM 1121 C GLN A 75 -7.803 9.436 9.484 1.00 0.00 C ATOM 1122 O GLN A 75 -6.997 8.672 8.991 1.00 0.00 O ATOM 1123 CB GLN A 75 -9.272 9.207 11.512 1.00 0.00 C ATOM 1124 CG GLN A 75 -10.675 9.727 11.826 1.00 0.00 C ATOM 1125 CD GLN A 75 -11.205 9.043 13.087 1.00 0.00 C ATOM 1126 OE1 GLN A 75 -10.662 9.214 14.160 1.00 0.00 O ATOM 1127 NE2 GLN A 75 -12.253 8.269 13.003 1.00 0.00 N ATOM 0 H GLN A 75 -8.953 6.926 10.699 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.924 9.453 9.441 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.078 8.293 12.073 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.524 9.937 11.823 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.650 10.807 11.969 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.342 9.532 10.987 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.710 8.125 12.102 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.615 7.809 13.838 1.00 0.00 H new ATOM 1136 N GLY A 76 -7.553 10.713 9.583 1.00 0.00 N ATOM 1137 CA GLY A 76 -6.258 11.259 9.087 1.00 0.00 C ATOM 1138 C GLY A 76 -5.187 11.095 10.166 1.00 0.00 C ATOM 1139 O GLY A 76 -5.354 11.523 11.291 1.00 0.00 O ATOM 0 H GLY A 76 -8.189 11.401 9.986 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.956 10.738 8.178 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.370 12.312 8.829 1.00 0.00 H new ATOM 1143 N GLY A 77 -4.088 10.475 9.834 1.00 0.00 N ATOM 1144 CA GLY A 77 -3.007 10.282 10.842 1.00 0.00 C ATOM 1145 C GLY A 77 -3.007 8.827 11.319 1.00 0.00 C ATOM 1146 O GLY A 77 -3.153 8.550 12.493 1.00 0.00 O ATOM 0 H GLY A 77 -3.892 10.094 8.909 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.040 10.533 10.406 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.159 10.953 11.687 1.00 0.00 H new ATOM 1150 N GLN A 78 -2.846 7.896 10.418 1.00 0.00 N ATOM 1151 CA GLN A 78 -2.838 6.461 10.824 1.00 0.00 C ATOM 1152 C GLN A 78 -2.036 5.627 9.822 1.00 0.00 C ATOM 1153 O GLN A 78 -2.255 5.693 8.628 1.00 0.00 O ATOM 1154 CB GLN A 78 -4.308 6.039 10.817 1.00 0.00 C ATOM 1155 CG GLN A 78 -4.582 5.135 12.020 1.00 0.00 C ATOM 1156 CD GLN A 78 -4.302 3.680 11.639 1.00 0.00 C ATOM 1157 OE1 GLN A 78 -3.202 3.195 11.813 1.00 0.00 O ATOM 1158 NE2 GLN A 78 -5.259 2.958 11.120 1.00 0.00 N ATOM 0 H GLN A 78 -2.720 8.066 9.420 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.375 6.313 11.799 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.951 6.919 10.855 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.542 5.513 9.892 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.953 5.429 12.860 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.617 5.245 12.343 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.183 3.365 10.974 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.082 1.987 10.861 1.00 0.00 H new ATOM 1167 N GLY A 79 -1.108 4.844 10.300 1.00 0.00 N ATOM 1168 CA GLY A 79 -0.286 4.005 9.381 1.00 0.00 C ATOM 1169 C GLY A 79 -1.197 3.195 8.456 1.00 0.00 C ATOM 1170 O GLY A 79 -2.123 2.542 8.893 1.00 0.00 O ATOM 0 H GLY A 79 -0.883 4.749 11.290 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.375 4.639 8.790 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.349 3.333 9.959 1.00 0.00 H new ATOM 1174 N LEU A 80 -0.934 3.229 7.178 1.00 0.00 N ATOM 1175 CA LEU A 80 -1.776 2.457 6.218 1.00 0.00 C ATOM 1176 C LEU A 80 -1.164 1.072 5.993 1.00 0.00 C ATOM 1177 O LEU A 80 -1.697 0.068 6.423 1.00 0.00 O ATOM 1178 CB LEU A 80 -1.748 3.269 4.923 1.00 0.00 C ATOM 1179 CG LEU A 80 -2.862 4.318 4.948 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -2.556 5.414 3.927 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -4.195 3.654 4.599 1.00 0.00 C ATOM 0 H LEU A 80 -0.171 3.759 6.756 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.793 2.308 6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.779 3.756 4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.876 2.609 4.065 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.924 4.757 5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.350 6.161 3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.606 5.888 4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.493 4.976 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.989 4.401 4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.133 3.214 3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.415 2.874 5.328 1.00 0.00 H new ATOM 1193 N ILE A 81 -0.045 1.014 5.324 1.00 0.00 N ATOM 1194 CA ILE A 81 0.612 -0.301 5.072 1.00 0.00 C ATOM 1195 C ILE A 81 2.113 -0.195 5.357 1.00 0.00 C ATOM 1196 O ILE A 81 2.729 0.826 5.120 1.00 0.00 O ATOM 1197 CB ILE A 81 0.361 -0.593 3.592 1.00 0.00 C ATOM 1198 CG1 ILE A 81 -1.140 -0.778 3.357 1.00 0.00 C ATOM 1199 CG2 ILE A 81 1.102 -1.870 3.190 1.00 0.00 C ATOM 1200 CD1 ILE A 81 -1.644 -1.979 4.160 1.00 0.00 C ATOM 0 H ILE A 81 0.444 1.822 4.940 1.00 0.00 H new ATOM 0 HA ILE A 81 0.221 -1.093 5.711 1.00 0.00 H new ATOM 0 HB ILE A 81 0.723 0.241 2.991 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.678 0.122 3.654 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.336 -0.930 2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.923 -2.078 2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.171 -1.738 3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.741 -2.705 3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.713 -2.108 3.990 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.115 -2.877 3.841 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.463 -1.809 5.221 1.00 0.00 H new ATOM 1212 N LYS A 82 2.707 -1.240 5.866 1.00 0.00 N ATOM 1213 CA LYS A 82 4.167 -1.192 6.167 1.00 0.00 C ATOM 1214 C LYS A 82 4.981 -1.624 4.944 1.00 0.00 C ATOM 1215 O LYS A 82 4.642 -2.570 4.261 1.00 0.00 O ATOM 1216 CB LYS A 82 4.366 -2.178 7.319 1.00 0.00 C ATOM 1217 CG LYS A 82 5.821 -2.127 7.789 1.00 0.00 C ATOM 1218 CD LYS A 82 5.886 -2.427 9.287 1.00 0.00 C ATOM 1219 CE LYS A 82 6.432 -1.204 10.031 1.00 0.00 C ATOM 1220 NZ LYS A 82 5.951 -1.361 11.432 1.00 0.00 N ATOM 0 H LYS A 82 2.246 -2.123 6.086 1.00 0.00 H new ATOM 0 HA LYS A 82 4.499 -0.187 6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.698 -1.930 8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.112 -3.188 6.996 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.418 -2.852 7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.245 -1.144 7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.894 -2.680 9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.525 -3.291 9.468 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.521 -1.169 9.989 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.066 -0.277 9.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.095 -0.787 11.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.730 -2.361 11.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.691 -1.045 12.091 1.00 0.00 H new ATOM 1234 N ILE A 83 6.055 -0.935 4.665 1.00 0.00 N ATOM 1235 CA ILE A 83 6.896 -1.303 3.489 1.00 0.00 C ATOM 1236 C ILE A 83 8.376 -1.313 3.883 1.00 0.00 C ATOM 1237 O ILE A 83 8.813 -0.536 4.708 1.00 0.00 O ATOM 1238 CB ILE A 83 6.626 -0.212 2.452 1.00 0.00 C ATOM 1239 CG1 ILE A 83 7.490 -0.463 1.214 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.973 1.154 3.046 1.00 0.00 C ATOM 1241 CD1 ILE A 83 6.633 -0.320 -0.045 1.00 0.00 C ATOM 0 H ILE A 83 6.387 -0.133 5.201 1.00 0.00 H new ATOM 0 HA ILE A 83 6.661 -2.296 3.106 1.00 0.00 H new ATOM 0 HB ILE A 83 5.573 -0.229 2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.318 0.246 1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.926 -1.461 1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.781 1.932 2.307 1.00 0.00 H new ATOM 0 HG22 ILE A 83 6.360 1.333 3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 83 8.026 1.172 3.326 1.00 0.00 H new ATOM 0 HD11 ILE A 83 7.249 -0.499 -0.926 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.821 -1.046 -0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.218 0.687 -0.090 1.00 0.00 H new ATOM 1253 N GLY A 84 9.149 -2.188 3.302 1.00 0.00 N ATOM 1254 CA GLY A 84 10.599 -2.244 3.648 1.00 0.00 C ATOM 1255 C GLY A 84 11.415 -1.571 2.544 1.00 0.00 C ATOM 1256 O GLY A 84 12.630 -1.558 2.655 1.00 0.00 O ATOM 1257 OXT GLY A 84 10.812 -1.078 1.605 1.00 0.00 O ATOM 0 H GLY A 84 8.842 -2.865 2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.776 -1.745 4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.915 -3.280 3.768 1.00 0.00 H new TER 1261 GLY A 84