USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 584 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 114 GLN : amide:sc= -0.122 X(o=-0.26,f=0.2) USER MOD Set 1.2: A 117 GLN : amide:sc= -0.14 X(o=-0.26,f=0.2) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -108:sc= -1.6 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -139:sc= -0.289 (180deg=-1.33!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.827 K(o=-0.83,f=-2.2) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.29) USER MOD Single : A 121 LYS NZ :NH3+ 165:sc=-0.00333 (180deg=-0.128) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 47 10.830 11.456 -11.946 1.00 0.00 N ATOM 2 CA ALA A 47 9.553 10.839 -11.491 1.00 0.00 C ATOM 3 C ALA A 47 9.641 10.554 -9.996 1.00 0.00 C ATOM 4 O ALA A 47 10.693 10.175 -9.481 1.00 0.00 O ATOM 5 CB ALA A 47 9.270 9.530 -12.232 1.00 0.00 C ATOM 0 HA ALA A 47 8.742 11.536 -11.703 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.331 9.106 -11.876 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.197 9.726 -13.302 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.080 8.825 -12.047 1.00 0.00 H new ATOM 13 N GLY A 48 8.520 10.740 -9.303 1.00 0.00 N ATOM 14 CA GLY A 48 8.477 10.500 -7.863 1.00 0.00 C ATOM 15 C GLY A 48 8.379 9.008 -7.567 1.00 0.00 C ATOM 16 O GLY A 48 7.330 8.508 -7.162 1.00 0.00 O ATOM 0 H GLY A 48 7.638 11.053 -9.710 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.371 10.911 -7.394 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.623 11.019 -7.428 1.00 0.00 H new ATOM 20 N ALA A 49 9.488 8.303 -7.772 1.00 0.00 N ATOM 21 CA ALA A 49 9.520 6.864 -7.523 1.00 0.00 C ATOM 22 C ALA A 49 10.741 6.496 -6.687 1.00 0.00 C ATOM 23 O ALA A 49 11.866 6.457 -7.186 1.00 0.00 O ATOM 24 CB ALA A 49 9.570 6.093 -8.843 1.00 0.00 C ATOM 0 H ALA A 49 10.367 8.698 -8.106 1.00 0.00 H new ATOM 0 HA ALA A 49 8.613 6.596 -6.981 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.593 5.023 -8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.687 6.330 -9.436 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.465 6.376 -9.396 1.00 0.00 H new ATOM 30 N GLY A 50 10.507 6.226 -5.406 1.00 0.00 N ATOM 31 CA GLY A 50 11.594 5.860 -4.502 1.00 0.00 C ATOM 32 C GLY A 50 11.063 5.592 -3.098 1.00 0.00 C ATOM 33 O GLY A 50 11.069 4.458 -2.622 1.00 0.00 O ATOM 0 H GLY A 50 9.584 6.253 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.103 4.973 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.332 6.662 -4.470 1.00 0.00 H new ATOM 37 N LYS A 51 10.602 6.653 -2.441 1.00 0.00 N ATOM 38 CA LYS A 51 10.067 6.525 -1.088 1.00 0.00 C ATOM 39 C LYS A 51 8.947 7.535 -0.861 1.00 0.00 C ATOM 40 O LYS A 51 9.086 8.718 -1.171 1.00 0.00 O ATOM 41 CB LYS A 51 11.169 6.759 -0.052 1.00 0.00 C ATOM 42 CG LYS A 51 12.348 5.831 -0.343 1.00 0.00 C ATOM 43 CD LYS A 51 13.379 5.945 0.782 1.00 0.00 C ATOM 44 CE LYS A 51 14.698 5.312 0.334 1.00 0.00 C ATOM 45 NZ LYS A 51 15.479 4.800 1.496 1.00 0.00 N ATOM 0 H LYS A 51 10.588 7.601 -2.818 1.00 0.00 H new ATOM 0 HA LYS A 51 9.673 5.515 -0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.495 7.799 -0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.785 6.573 0.951 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.001 4.801 -0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 51 12.805 6.094 -1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.536 6.992 1.041 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.011 5.447 1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.494 4.495 -0.358 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.291 6.048 -0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.367 4.377 1.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.694 5.585 2.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.922 4.080 1.998 1.00 0.00 H new ATOM 59 N ALA A 52 7.834 7.053 -0.316 1.00 0.00 N ATOM 60 CA ALA A 52 6.689 7.919 -0.049 1.00 0.00 C ATOM 61 C ALA A 52 7.048 8.968 1.000 1.00 0.00 C ATOM 62 O ALA A 52 8.164 8.993 1.517 1.00 0.00 O ATOM 63 CB ALA A 52 5.499 7.096 0.451 1.00 0.00 C ATOM 0 H ALA A 52 7.700 6.077 -0.052 1.00 0.00 H new ATOM 0 HA ALA A 52 6.418 8.416 -0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.655 7.758 0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.219 6.363 -0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.774 6.580 1.371 1.00 0.00 H new ATOM 69 N GLY A 53 6.086 9.832 1.307 1.00 0.00 N ATOM 70 CA GLY A 53 6.305 10.884 2.298 1.00 0.00 C ATOM 71 C GLY A 53 4.986 11.538 2.692 1.00 0.00 C ATOM 72 O GLY A 53 4.504 11.371 3.812 1.00 0.00 O ATOM 0 H GLY A 53 5.155 9.827 0.890 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.786 10.464 3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.983 11.636 1.893 1.00 0.00 H new ATOM 76 N GLU A 54 4.407 12.284 1.756 1.00 0.00 N ATOM 77 CA GLU A 54 3.139 12.963 2.012 1.00 0.00 C ATOM 78 C GLU A 54 2.123 12.618 0.927 1.00 0.00 C ATOM 79 O GLU A 54 2.292 12.978 -0.238 1.00 0.00 O ATOM 80 CB GLU A 54 3.339 14.480 2.043 1.00 0.00 C ATOM 81 CG GLU A 54 3.764 14.909 3.449 1.00 0.00 C ATOM 82 CD GLU A 54 4.523 16.230 3.369 1.00 0.00 C ATOM 83 OE1 GLU A 54 4.075 17.106 2.648 1.00 0.00 O ATOM 84 OE2 GLU A 54 5.541 16.346 4.031 1.00 0.00 O ATOM 0 H GLU A 54 4.790 12.434 0.822 1.00 0.00 H new ATOM 0 HA GLU A 54 2.767 12.627 2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.097 14.773 1.317 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.415 14.985 1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.888 15.019 4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.394 14.142 3.900 1.00 0.00 H new ATOM 91 N GLY A 55 1.067 11.916 1.325 1.00 0.00 N ATOM 92 CA GLY A 55 0.025 11.525 0.379 1.00 0.00 C ATOM 93 C GLY A 55 0.109 10.035 0.071 1.00 0.00 C ATOM 94 O GLY A 55 -0.876 9.305 0.186 1.00 0.00 O ATOM 0 H GLY A 55 0.910 11.608 2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.956 11.761 0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.129 12.098 -0.542 1.00 0.00 H new ATOM 98 N GLU A 56 1.298 9.591 -0.323 1.00 0.00 N ATOM 99 CA GLU A 56 1.507 8.182 -0.648 1.00 0.00 C ATOM 100 C GLU A 56 1.775 7.378 0.621 1.00 0.00 C ATOM 101 O GLU A 56 2.557 7.787 1.477 1.00 0.00 O ATOM 102 CB GLU A 56 2.693 8.020 -1.600 1.00 0.00 C ATOM 103 CG GLU A 56 2.486 8.905 -2.831 1.00 0.00 C ATOM 104 CD GLU A 56 3.705 8.807 -3.740 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.250 7.721 -3.852 1.00 0.00 O ATOM 106 OE2 GLU A 56 4.077 9.820 -4.311 1.00 0.00 O ATOM 0 H GLU A 56 2.125 10.179 -0.425 1.00 0.00 H new ATOM 0 HA GLU A 56 0.603 7.811 -1.131 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.619 8.294 -1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.791 6.977 -1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.592 8.593 -3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.329 9.940 -2.526 1.00 0.00 H new ATOM 113 N ILE A 57 1.115 6.228 0.729 1.00 0.00 N ATOM 114 CA ILE A 57 1.287 5.369 1.897 1.00 0.00 C ATOM 115 C ILE A 57 2.548 4.510 1.744 1.00 0.00 C ATOM 116 O ILE A 57 2.590 3.613 0.901 1.00 0.00 O ATOM 117 CB ILE A 57 0.076 4.447 2.066 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.207 5.283 2.069 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.189 3.687 3.389 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.422 4.354 2.025 1.00 0.00 C ATOM 0 H ILE A 57 0.463 5.872 0.030 1.00 0.00 H new ATOM 0 HA ILE A 57 1.383 6.007 2.775 1.00 0.00 H new ATOM 0 HB ILE A 57 0.047 3.736 1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.245 5.907 2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.218 5.954 1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.674 3.032 3.507 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.101 3.090 3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.221 4.397 4.215 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.335 4.949 2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.385 3.749 1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.412 3.701 2.898 1.00 0.00 H new ATOM 132 N PRO A 58 3.591 4.764 2.551 1.00 0.00 N ATOM 133 CA PRO A 58 4.842 3.991 2.476 1.00 0.00 C ATOM 134 C PRO A 58 4.679 2.572 3.014 1.00 0.00 C ATOM 135 O PRO A 58 3.966 2.340 3.991 1.00 0.00 O ATOM 136 CB PRO A 58 5.817 4.782 3.345 1.00 0.00 C ATOM 137 CG PRO A 58 4.959 5.535 4.301 1.00 0.00 C ATOM 138 CD PRO A 58 3.661 5.804 3.595 1.00 0.00 C ATOM 0 HA PRO A 58 5.179 3.871 1.446 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.505 4.119 3.870 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.424 5.458 2.742 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.793 4.957 5.210 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.438 6.468 4.599 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.815 5.738 4.279 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.644 6.804 3.162 1.00 0.00 H new ATOM 146 N ALA A 59 5.351 1.625 2.364 1.00 0.00 N ATOM 147 CA ALA A 59 5.276 0.229 2.783 1.00 0.00 C ATOM 148 C ALA A 59 6.098 0.009 4.056 1.00 0.00 C ATOM 149 O ALA A 59 7.124 0.658 4.260 1.00 0.00 O ATOM 150 CB ALA A 59 5.809 -0.690 1.682 1.00 0.00 C ATOM 0 H ALA A 59 5.947 1.796 1.554 1.00 0.00 H new ATOM 0 HA ALA A 59 4.230 -0.008 2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.746 -1.727 2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.213 -0.559 0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.848 -0.439 1.470 1.00 0.00 H new ATOM 156 N PRO A 60 5.658 -0.911 4.928 1.00 0.00 N ATOM 157 CA PRO A 60 6.368 -1.204 6.183 1.00 0.00 C ATOM 158 C PRO A 60 7.667 -1.973 5.950 1.00 0.00 C ATOM 159 O PRO A 60 8.603 -1.894 6.746 1.00 0.00 O ATOM 160 CB PRO A 60 5.379 -2.059 6.973 1.00 0.00 C ATOM 161 CG PRO A 60 4.502 -2.689 5.946 1.00 0.00 C ATOM 162 CD PRO A 60 4.447 -1.742 4.782 1.00 0.00 C ATOM 0 HA PRO A 60 6.664 -0.291 6.699 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.896 -2.813 7.566 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.799 -1.451 7.667 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.900 -3.656 5.639 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.504 -2.867 6.347 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.445 -2.278 3.833 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.543 -1.134 4.807 1.00 0.00 H new ATOM 170 N LEU A 61 7.713 -2.719 4.849 1.00 0.00 N ATOM 171 CA LEU A 61 8.902 -3.501 4.519 1.00 0.00 C ATOM 172 C LEU A 61 8.856 -3.947 3.062 1.00 0.00 C ATOM 173 O LEU A 61 7.789 -4.018 2.453 1.00 0.00 O ATOM 174 CB LEU A 61 8.998 -4.735 5.416 1.00 0.00 C ATOM 175 CG LEU A 61 7.729 -5.588 5.498 1.00 0.00 C ATOM 176 CD1 LEU A 61 7.727 -6.613 4.363 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.692 -6.318 6.843 1.00 0.00 C ATOM 0 H LEU A 61 6.950 -2.799 4.177 1.00 0.00 H new ATOM 0 HA LEU A 61 9.776 -2.870 4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.814 -5.362 5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.264 -4.412 6.422 1.00 0.00 H new ATOM 0 HG LEU A 61 6.854 -4.945 5.408 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.823 -7.220 4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.754 -6.095 3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.602 -7.256 4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.789 -6.926 6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.568 -6.960 6.933 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.693 -5.589 7.653 1.00 0.00 H new ATOM 189 N ALA A 62 10.029 -4.246 2.510 1.00 0.00 N ATOM 190 CA ALA A 62 10.116 -4.686 1.120 1.00 0.00 C ATOM 191 C ALA A 62 9.603 -6.116 0.981 1.00 0.00 C ATOM 192 O ALA A 62 10.331 -7.078 1.226 1.00 0.00 O ATOM 193 CB ALA A 62 11.562 -4.625 0.628 1.00 0.00 C ATOM 0 H ALA A 62 10.923 -4.193 2.997 1.00 0.00 H new ATOM 0 HA ALA A 62 9.500 -4.019 0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.608 -4.956 -0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.927 -3.600 0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.184 -5.275 1.244 1.00 0.00 H new ATOM 199 N GLY A 63 8.341 -6.244 0.583 1.00 0.00 N ATOM 200 CA GLY A 63 7.737 -7.562 0.412 1.00 0.00 C ATOM 201 C GLY A 63 7.146 -7.706 -0.986 1.00 0.00 C ATOM 202 O GLY A 63 7.686 -7.184 -1.961 1.00 0.00 O ATOM 0 H GLY A 63 7.722 -5.461 0.375 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.487 -8.336 0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.957 -7.710 1.159 1.00 0.00 H new ATOM 206 N THR A 64 6.027 -8.419 -1.071 1.00 0.00 N ATOM 207 CA THR A 64 5.365 -8.627 -2.357 1.00 0.00 C ATOM 208 C THR A 64 3.858 -8.447 -2.213 1.00 0.00 C ATOM 209 O THR A 64 3.236 -8.996 -1.303 1.00 0.00 O ATOM 210 CB THR A 64 5.651 -10.033 -2.889 1.00 0.00 C ATOM 211 OG1 THR A 64 7.016 -10.355 -2.663 1.00 0.00 O ATOM 212 CG2 THR A 64 5.354 -10.083 -4.389 1.00 0.00 C ATOM 0 H THR A 64 5.563 -8.858 -0.276 1.00 0.00 H new ATOM 0 HA THR A 64 5.755 -7.890 -3.059 1.00 0.00 H new ATOM 0 HB THR A 64 5.018 -10.753 -2.372 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.200 -11.256 -3.002 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.558 -11.085 -4.767 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.306 -9.837 -4.561 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.986 -9.363 -4.909 1.00 0.00 H new ATOM 220 N VAL A 65 3.277 -7.672 -3.125 1.00 0.00 N ATOM 221 CA VAL A 65 1.839 -7.422 -3.094 1.00 0.00 C ATOM 222 C VAL A 65 1.073 -8.703 -3.413 1.00 0.00 C ATOM 223 O VAL A 65 1.362 -9.389 -4.394 1.00 0.00 O ATOM 224 CB VAL A 65 1.458 -6.345 -4.111 1.00 0.00 C ATOM 225 CG1 VAL A 65 -0.012 -5.961 -3.927 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.333 -5.108 -3.898 1.00 0.00 C ATOM 0 H VAL A 65 3.774 -7.211 -3.887 1.00 0.00 H new ATOM 0 HA VAL A 65 1.577 -7.079 -2.093 1.00 0.00 H new ATOM 0 HB VAL A 65 1.610 -6.732 -5.119 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.281 -5.193 -4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.639 -6.839 -4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.164 -5.576 -2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.061 -4.341 -4.623 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.181 -4.724 -2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.381 -5.377 -4.030 1.00 0.00 H new ATOM 236 N SER A 66 0.093 -9.016 -2.571 1.00 0.00 N ATOM 237 CA SER A 66 -0.712 -10.220 -2.769 1.00 0.00 C ATOM 238 C SER A 66 -2.062 -9.866 -3.385 1.00 0.00 C ATOM 239 O SER A 66 -2.451 -10.413 -4.416 1.00 0.00 O ATOM 240 CB SER A 66 -0.945 -10.932 -1.436 1.00 0.00 C ATOM 241 OG SER A 66 -1.249 -9.970 -0.436 1.00 0.00 O ATOM 0 H SER A 66 -0.162 -8.461 -1.754 1.00 0.00 H new ATOM 0 HA SER A 66 -0.168 -10.880 -3.444 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.763 -11.646 -1.530 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.058 -11.499 -1.154 1.00 0.00 H new ATOM 0 HG SER A 66 -0.489 -9.884 0.177 1.00 0.00 H new ATOM 247 N LYS A 67 -2.772 -8.945 -2.739 1.00 0.00 N ATOM 248 CA LYS A 67 -4.081 -8.527 -3.232 1.00 0.00 C ATOM 249 C LYS A 67 -4.388 -7.099 -2.794 1.00 0.00 C ATOM 250 O LYS A 67 -3.980 -6.662 -1.717 1.00 0.00 O ATOM 251 CB LYS A 67 -5.174 -9.459 -2.699 1.00 0.00 C ATOM 252 CG LYS A 67 -6.510 -9.121 -3.364 1.00 0.00 C ATOM 253 CD LYS A 67 -7.417 -10.352 -3.340 1.00 0.00 C ATOM 254 CE LYS A 67 -8.094 -10.461 -1.974 1.00 0.00 C ATOM 255 NZ LYS A 67 -8.690 -11.812 -1.768 1.00 0.00 N ATOM 0 H LYS A 67 -2.468 -8.479 -1.884 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.061 -8.574 -4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.910 -10.497 -2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.259 -9.355 -1.617 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.989 -8.293 -2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.345 -8.797 -4.392 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.169 -10.278 -4.125 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.834 -11.250 -3.541 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.366 -10.259 -1.188 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.872 -9.702 -1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.141 -11.853 -0.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.402 -11.993 -2.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.943 -12.533 -1.824 1.00 0.00 H new ATOM 269 N ILE A 68 -5.117 -6.378 -3.640 1.00 0.00 N ATOM 270 CA ILE A 68 -5.483 -4.998 -3.334 1.00 0.00 C ATOM 271 C ILE A 68 -6.916 -4.938 -2.816 1.00 0.00 C ATOM 272 O ILE A 68 -7.823 -5.544 -3.386 1.00 0.00 O ATOM 273 CB ILE A 68 -5.363 -4.118 -4.581 1.00 0.00 C ATOM 274 CG1 ILE A 68 -3.972 -4.292 -5.197 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.564 -2.650 -4.194 1.00 0.00 C ATOM 276 CD1 ILE A 68 -3.957 -3.689 -6.602 1.00 0.00 C ATOM 0 H ILE A 68 -5.464 -6.722 -4.535 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.800 -4.628 -2.569 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.123 -4.412 -5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.223 -3.805 -4.573 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.712 -5.350 -5.241 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.478 -2.024 -5.083 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.553 -2.522 -3.754 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.804 -2.357 -3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.967 -3.813 -7.041 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.695 -4.196 -7.223 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.198 -2.628 -6.545 1.00 0.00 H new ATOM 288 N LEU A 69 -7.108 -4.202 -1.726 1.00 0.00 N ATOM 289 CA LEU A 69 -8.436 -4.070 -1.133 1.00 0.00 C ATOM 290 C LEU A 69 -9.092 -2.764 -1.569 1.00 0.00 C ATOM 291 O LEU A 69 -10.314 -2.679 -1.692 1.00 0.00 O ATOM 292 CB LEU A 69 -8.345 -4.096 0.392 1.00 0.00 C ATOM 293 CG LEU A 69 -7.952 -5.442 1.004 1.00 0.00 C ATOM 294 CD1 LEU A 69 -7.375 -5.218 2.403 1.00 0.00 C ATOM 295 CD2 LEU A 69 -9.191 -6.336 1.102 1.00 0.00 C ATOM 0 H LEU A 69 -6.371 -3.693 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.040 -4.910 -1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.619 -3.347 0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.310 -3.798 0.802 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.203 -5.923 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.095 -6.177 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.494 -4.579 2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.124 -4.738 3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.914 -7.296 1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.939 -5.854 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.604 -6.496 0.106 1.00 0.00 H new ATOM 307 N VAL A 70 -8.267 -1.745 -1.798 1.00 0.00 N ATOM 308 CA VAL A 70 -8.783 -0.445 -2.216 1.00 0.00 C ATOM 309 C VAL A 70 -8.534 -0.219 -3.705 1.00 0.00 C ATOM 310 O VAL A 70 -7.564 -0.719 -4.272 1.00 0.00 O ATOM 311 CB VAL A 70 -8.116 0.675 -1.414 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.444 0.498 0.068 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.597 0.617 -1.605 1.00 0.00 C ATOM 0 H VAL A 70 -7.253 -1.792 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.857 -0.433 -2.030 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.487 1.638 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.971 1.294 0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.524 0.541 0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.072 -0.468 0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.127 1.416 -1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.223 -0.346 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.358 0.739 -2.661 1.00 0.00 H new ATOM 323 N LYS A 71 -9.426 0.544 -4.327 1.00 0.00 N ATOM 324 CA LYS A 71 -9.304 0.839 -5.752 1.00 0.00 C ATOM 325 C LYS A 71 -9.607 2.310 -6.013 1.00 0.00 C ATOM 326 O LYS A 71 -10.190 2.996 -5.173 1.00 0.00 O ATOM 327 CB LYS A 71 -10.275 -0.018 -6.568 1.00 0.00 C ATOM 328 CG LYS A 71 -10.112 -1.490 -6.179 1.00 0.00 C ATOM 329 CD LYS A 71 -10.638 -2.379 -7.308 1.00 0.00 C ATOM 330 CE LYS A 71 -10.607 -3.841 -6.861 1.00 0.00 C ATOM 331 NZ LYS A 71 -11.133 -4.746 -7.923 1.00 0.00 N ATOM 0 H LYS A 71 -10.235 0.967 -3.873 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.282 0.612 -6.055 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.300 0.305 -6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.083 0.111 -7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.062 -1.712 -5.986 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.656 -1.696 -5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.656 -2.089 -7.570 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.029 -2.248 -8.202 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.585 -4.125 -6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.200 -3.958 -5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.099 -5.730 -7.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.117 -4.489 -8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.551 -4.651 -8.780 1.00 0.00 H new ATOM 345 N GLU A 72 -9.207 2.786 -7.188 1.00 0.00 N ATOM 346 CA GLU A 72 -9.445 4.181 -7.550 1.00 0.00 C ATOM 347 C GLU A 72 -10.943 4.464 -7.606 1.00 0.00 C ATOM 348 O GLU A 72 -11.603 4.191 -8.609 1.00 0.00 O ATOM 349 CB GLU A 72 -8.822 4.495 -8.912 1.00 0.00 C ATOM 350 CG GLU A 72 -8.318 5.940 -8.922 1.00 0.00 C ATOM 351 CD GLU A 72 -8.401 6.500 -10.338 1.00 0.00 C ATOM 352 OE1 GLU A 72 -7.686 6.004 -11.193 1.00 0.00 O ATOM 353 OE2 GLU A 72 -9.178 7.417 -10.546 1.00 0.00 O ATOM 0 H GLU A 72 -8.723 2.236 -7.898 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.984 4.812 -6.790 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.998 3.810 -9.114 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.558 4.350 -9.703 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.915 6.549 -8.243 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.289 5.980 -8.564 1.00 0.00 H new ATOM 360 N GLY A 73 -11.469 5.010 -6.515 1.00 0.00 N ATOM 361 CA GLY A 73 -12.893 5.323 -6.443 1.00 0.00 C ATOM 362 C GLY A 73 -13.455 4.992 -5.064 1.00 0.00 C ATOM 363 O GLY A 73 -14.407 5.619 -4.601 1.00 0.00 O ATOM 0 H GLY A 73 -10.938 5.243 -5.676 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.048 6.380 -6.659 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.432 4.759 -7.204 1.00 0.00 H new ATOM 367 N ASP A 74 -12.855 3.999 -4.410 1.00 0.00 N ATOM 368 CA ASP A 74 -13.308 3.596 -3.083 1.00 0.00 C ATOM 369 C ASP A 74 -12.654 4.462 -2.011 1.00 0.00 C ATOM 370 O ASP A 74 -11.517 4.906 -2.160 1.00 0.00 O ATOM 371 CB ASP A 74 -12.960 2.131 -2.817 1.00 0.00 C ATOM 372 CG ASP A 74 -13.896 1.231 -3.616 1.00 0.00 C ATOM 373 OD1 ASP A 74 -15.091 1.476 -3.584 1.00 0.00 O ATOM 374 OD2 ASP A 74 -13.406 0.310 -4.247 1.00 0.00 O ATOM 0 H ASP A 74 -12.065 3.466 -4.772 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.390 3.724 -3.046 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.925 1.936 -3.097 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.049 1.913 -1.753 1.00 0.00 H new ATOM 379 N THR A 75 -13.388 4.690 -0.927 1.00 0.00 N ATOM 380 CA THR A 75 -12.875 5.502 0.173 1.00 0.00 C ATOM 381 C THR A 75 -12.299 4.605 1.264 1.00 0.00 C ATOM 382 O THR A 75 -12.743 3.473 1.454 1.00 0.00 O ATOM 383 CB THR A 75 -13.987 6.364 0.772 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.922 6.700 -0.245 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.387 7.642 1.359 1.00 0.00 C ATOM 0 H THR A 75 -14.331 4.328 -0.786 1.00 0.00 H new ATOM 0 HA THR A 75 -12.093 6.150 -0.222 1.00 0.00 H new ATOM 0 HB THR A 75 -14.492 5.808 1.562 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.637 7.251 0.137 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.182 8.255 1.785 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.671 7.383 2.139 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.880 8.201 0.572 1.00 0.00 H new ATOM 393 N VAL A 76 -11.303 5.122 1.977 1.00 0.00 N ATOM 394 CA VAL A 76 -10.672 4.355 3.046 1.00 0.00 C ATOM 395 C VAL A 76 -10.630 5.165 4.336 1.00 0.00 C ATOM 396 O VAL A 76 -10.916 6.362 4.346 1.00 0.00 O ATOM 397 CB VAL A 76 -9.244 3.967 2.656 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.285 3.006 1.469 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.463 5.224 2.266 1.00 0.00 C ATOM 0 H VAL A 76 -10.919 6.057 1.837 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.264 3.454 3.204 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.755 3.482 3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.268 2.729 1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.843 2.111 1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.773 3.492 0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.446 4.949 1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.952 5.708 1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.435 5.912 3.111 1.00 0.00 H new ATOM 409 N LYS A 77 -10.266 4.494 5.425 1.00 0.00 N ATOM 410 CA LYS A 77 -10.185 5.154 6.724 1.00 0.00 C ATOM 411 C LYS A 77 -8.858 4.826 7.400 1.00 0.00 C ATOM 412 O LYS A 77 -8.319 3.730 7.245 1.00 0.00 O ATOM 413 CB LYS A 77 -11.333 4.702 7.629 1.00 0.00 C ATOM 414 CG LYS A 77 -12.610 5.449 7.243 1.00 0.00 C ATOM 415 CD LYS A 77 -12.756 6.698 8.114 1.00 0.00 C ATOM 416 CE LYS A 77 -14.048 7.428 7.748 1.00 0.00 C ATOM 417 NZ LYS A 77 -14.553 8.245 8.888 1.00 0.00 N ATOM 0 H LYS A 77 -10.025 3.503 5.435 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.257 6.230 6.562 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.485 3.627 7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.086 4.897 8.673 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.575 5.729 6.190 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.476 4.800 7.372 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.769 6.420 9.168 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.900 7.357 7.969 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.872 8.072 6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.807 6.703 7.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.431 8.728 8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.743 7.626 9.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.838 8.953 9.152 1.00 0.00 H new ATOM 431 N ALA A 78 -8.335 5.791 8.152 1.00 0.00 N ATOM 432 CA ALA A 78 -7.065 5.601 8.852 1.00 0.00 C ATOM 433 C ALA A 78 -7.148 4.414 9.809 1.00 0.00 C ATOM 434 O ALA A 78 -7.618 4.542 10.940 1.00 0.00 O ATOM 435 CB ALA A 78 -6.701 6.856 9.647 1.00 0.00 C ATOM 0 H ALA A 78 -8.765 6.705 8.293 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.297 5.407 8.103 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.753 6.698 10.162 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.608 7.703 8.967 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.482 7.062 10.379 1.00 0.00 H new ATOM 441 N GLY A 79 -6.681 3.258 9.343 1.00 0.00 N ATOM 442 CA GLY A 79 -6.704 2.053 10.166 1.00 0.00 C ATOM 443 C GLY A 79 -7.202 0.855 9.364 1.00 0.00 C ATOM 444 O GLY A 79 -6.757 -0.275 9.566 1.00 0.00 O ATOM 0 H GLY A 79 -6.287 3.131 8.411 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.704 1.849 10.548 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.349 2.210 11.030 1.00 0.00 H new ATOM 448 N GLN A 80 -8.135 1.114 8.451 1.00 0.00 N ATOM 449 CA GLN A 80 -8.692 0.049 7.621 1.00 0.00 C ATOM 450 C GLN A 80 -7.636 -0.488 6.661 1.00 0.00 C ATOM 451 O GLN A 80 -6.793 0.257 6.160 1.00 0.00 O ATOM 452 CB GLN A 80 -9.883 0.566 6.811 1.00 0.00 C ATOM 453 CG GLN A 80 -10.719 -0.616 6.319 1.00 0.00 C ATOM 454 CD GLN A 80 -12.064 -0.110 5.810 1.00 0.00 C ATOM 455 OE1 GLN A 80 -12.921 0.293 6.597 1.00 0.00 O ATOM 456 NE2 GLN A 80 -12.305 -0.108 4.527 1.00 0.00 N ATOM 0 H GLN A 80 -8.518 2.042 8.268 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.023 -0.752 8.282 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.495 1.227 7.426 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.532 1.154 5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.192 -1.142 5.523 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.870 -1.331 7.128 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.596 -0.442 3.874 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -13.203 0.227 4.177 1.00 0.00 H new ATOM 465 N THR A 81 -7.692 -1.793 6.410 1.00 0.00 N ATOM 466 CA THR A 81 -6.737 -2.427 5.504 1.00 0.00 C ATOM 467 C THR A 81 -6.922 -1.899 4.086 1.00 0.00 C ATOM 468 O THR A 81 -8.046 -1.747 3.608 1.00 0.00 O ATOM 469 CB THR A 81 -6.926 -3.946 5.502 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.159 -4.394 6.830 1.00 0.00 O ATOM 471 CG2 THR A 81 -5.670 -4.618 4.947 1.00 0.00 C ATOM 0 H THR A 81 -8.380 -2.427 6.816 1.00 0.00 H new ATOM 0 HA THR A 81 -5.732 -2.190 5.852 1.00 0.00 H new ATOM 0 HB THR A 81 -7.780 -4.206 4.876 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.282 -5.366 6.830 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.806 -5.699 4.946 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.493 -4.274 3.928 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.814 -4.361 5.571 1.00 0.00 H new ATOM 479 N VAL A 82 -5.806 -1.615 3.421 1.00 0.00 N ATOM 480 CA VAL A 82 -5.856 -1.096 2.058 1.00 0.00 C ATOM 481 C VAL A 82 -5.291 -2.111 1.067 1.00 0.00 C ATOM 482 O VAL A 82 -5.734 -2.192 -0.078 1.00 0.00 O ATOM 483 CB VAL A 82 -5.055 0.205 1.952 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.705 1.277 2.828 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.620 -0.036 2.430 1.00 0.00 C ATOM 0 H VAL A 82 -4.866 -1.734 3.798 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.901 -0.903 1.815 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.043 0.538 0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.135 2.203 2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.727 1.451 2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.717 0.942 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.051 0.890 2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.633 -0.370 3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.153 -0.800 1.809 1.00 0.00 H new ATOM 495 N LEU A 83 -4.302 -2.878 1.516 1.00 0.00 N ATOM 496 CA LEU A 83 -3.680 -3.877 0.651 1.00 0.00 C ATOM 497 C LEU A 83 -2.946 -4.927 1.481 1.00 0.00 C ATOM 498 O LEU A 83 -2.459 -4.645 2.575 1.00 0.00 O ATOM 499 CB LEU A 83 -2.688 -3.203 -0.298 1.00 0.00 C ATOM 500 CG LEU A 83 -1.892 -4.147 -1.208 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.651 -3.477 -2.564 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.545 -4.470 -0.553 1.00 0.00 C ATOM 0 H LEU A 83 -3.918 -2.830 2.460 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.466 -4.365 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.235 -2.499 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.983 -2.621 0.296 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.457 -5.067 -1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.085 -4.151 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.608 -3.247 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.088 -2.555 -2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.022 -5.141 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.017 -3.548 -0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.715 -4.951 0.410 1.00 0.00 H new ATOM 514 N VAL A 84 -2.870 -6.140 0.941 1.00 0.00 N ATOM 515 CA VAL A 84 -2.190 -7.232 1.633 1.00 0.00 C ATOM 516 C VAL A 84 -0.811 -7.464 1.023 1.00 0.00 C ATOM 517 O VAL A 84 -0.649 -7.464 -0.197 1.00 0.00 O ATOM 518 CB VAL A 84 -3.003 -8.526 1.531 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.380 -9.593 2.434 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.444 -8.262 1.976 1.00 0.00 C ATOM 0 H VAL A 84 -3.266 -6.391 0.035 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.087 -6.954 2.682 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.999 -8.875 0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.959 -10.514 2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.354 -9.783 2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.383 -9.243 3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.022 -9.183 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.448 -7.912 3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.890 -7.502 1.334 1.00 0.00 H new ATOM 530 N LEU A 85 0.182 -7.659 1.888 1.00 0.00 N ATOM 531 CA LEU A 85 1.547 -7.887 1.422 1.00 0.00 C ATOM 532 C LEU A 85 2.030 -9.273 1.839 1.00 0.00 C ATOM 533 O LEU A 85 1.442 -9.917 2.708 1.00 0.00 O ATOM 534 CB LEU A 85 2.491 -6.828 1.998 1.00 0.00 C ATOM 535 CG LEU A 85 3.607 -6.364 1.057 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.118 -5.170 0.235 1.00 0.00 C ATOM 537 CD2 LEU A 85 4.828 -5.949 1.881 1.00 0.00 C ATOM 0 H LEU A 85 0.070 -7.664 2.902 1.00 0.00 H new ATOM 0 HA LEU A 85 1.549 -7.819 0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.901 -5.960 2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.945 -7.225 2.906 1.00 0.00 H new ATOM 0 HG LEU A 85 3.880 -7.179 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.912 -4.840 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.248 -5.464 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.845 -4.354 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.623 -5.619 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.555 -5.134 2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.177 -6.799 2.468 1.00 0.00 H new ATOM 549 N GLU A 86 3.110 -9.723 1.206 1.00 0.00 N ATOM 550 CA GLU A 86 3.672 -11.035 1.514 1.00 0.00 C ATOM 551 C GLU A 86 5.191 -10.948 1.619 1.00 0.00 C ATOM 552 O GLU A 86 5.884 -10.702 0.632 1.00 0.00 O ATOM 553 CB GLU A 86 3.304 -12.044 0.425 1.00 0.00 C ATOM 554 CG GLU A 86 1.898 -12.586 0.685 1.00 0.00 C ATOM 555 CD GLU A 86 1.990 -13.859 1.520 1.00 0.00 C ATOM 556 OE1 GLU A 86 2.248 -13.748 2.707 1.00 0.00 O ATOM 557 OE2 GLU A 86 1.800 -14.926 0.959 1.00 0.00 O ATOM 0 H GLU A 86 3.610 -9.205 0.483 1.00 0.00 H new ATOM 0 HA GLU A 86 3.259 -11.365 2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.346 -11.569 -0.555 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.024 -12.862 0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.299 -11.839 1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.396 -12.794 -0.260 1.00 0.00 H new ATOM 564 N ALA A 87 5.702 -11.154 2.831 1.00 0.00 N ATOM 565 CA ALA A 87 7.143 -11.097 3.058 1.00 0.00 C ATOM 566 C ALA A 87 7.555 -12.102 4.129 1.00 0.00 C ATOM 567 O ALA A 87 6.878 -12.264 5.143 1.00 0.00 O ATOM 568 CB ALA A 87 7.558 -9.694 3.505 1.00 0.00 C ATOM 0 H ALA A 87 5.147 -11.360 3.662 1.00 0.00 H new ATOM 0 HA ALA A 87 7.641 -11.342 2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.635 -9.668 3.670 1.00 0.00 H new ATOM 0 HB2 ALA A 87 7.292 -8.972 2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.043 -9.440 4.431 1.00 0.00 H new ATOM 574 N MET A 88 8.678 -12.775 3.889 1.00 0.00 N ATOM 575 CA MET A 88 9.182 -13.766 4.838 1.00 0.00 C ATOM 576 C MET A 88 8.166 -14.890 5.028 1.00 0.00 C ATOM 577 O MET A 88 8.053 -15.467 6.110 1.00 0.00 O ATOM 578 CB MET A 88 9.468 -13.117 6.194 1.00 0.00 C ATOM 579 CG MET A 88 10.387 -11.909 5.999 1.00 0.00 C ATOM 580 SD MET A 88 12.067 -12.481 5.643 1.00 0.00 S ATOM 581 CE MET A 88 12.459 -11.253 4.373 1.00 0.00 C ATOM 0 H MET A 88 9.252 -12.655 3.054 1.00 0.00 H new ATOM 0 HA MET A 88 10.106 -14.177 4.432 1.00 0.00 H new ATOM 0 HB2 MET A 88 8.535 -12.805 6.664 1.00 0.00 H new ATOM 0 HB3 MET A 88 9.936 -13.839 6.863 1.00 0.00 H new ATOM 0 HG2 MET A 88 10.021 -11.289 5.181 1.00 0.00 H new ATOM 0 HG3 MET A 88 10.385 -11.288 6.895 1.00 0.00 H new ATOM 0 HE1 MET A 88 13.471 -11.421 4.005 1.00 0.00 H new ATOM 0 HE2 MET A 88 11.753 -11.345 3.548 1.00 0.00 H new ATOM 0 HE3 MET A 88 12.390 -10.253 4.800 1.00 0.00 H new ATOM 591 N LYS A 89 7.430 -15.193 3.963 1.00 0.00 N ATOM 592 CA LYS A 89 6.422 -16.251 4.016 1.00 0.00 C ATOM 593 C LYS A 89 5.354 -15.916 5.054 1.00 0.00 C ATOM 594 O LYS A 89 4.796 -16.801 5.704 1.00 0.00 O ATOM 595 CB LYS A 89 7.070 -17.594 4.375 1.00 0.00 C ATOM 596 CG LYS A 89 7.440 -18.345 3.093 1.00 0.00 C ATOM 597 CD LYS A 89 8.913 -18.096 2.755 1.00 0.00 C ATOM 598 CE LYS A 89 9.020 -16.986 1.707 1.00 0.00 C ATOM 599 NZ LYS A 89 10.443 -16.649 1.413 1.00 0.00 N ATOM 0 H LYS A 89 7.510 -14.727 3.059 1.00 0.00 H new ATOM 0 HA LYS A 89 5.960 -16.327 3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.960 -17.429 4.982 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.383 -18.192 4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.262 -19.413 3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.807 -18.013 2.270 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.460 -17.814 3.655 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.369 -19.011 2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.522 -17.301 0.790 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.500 -16.097 2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.481 -15.894 0.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.910 -16.326 2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.932 -17.492 1.050 1.00 0.00 H new ATOM 613 N MET A 90 5.075 -14.623 5.201 1.00 0.00 N ATOM 614 CA MET A 90 4.072 -14.174 6.162 1.00 0.00 C ATOM 615 C MET A 90 3.241 -13.037 5.575 1.00 0.00 C ATOM 616 O MET A 90 3.772 -11.996 5.190 1.00 0.00 O ATOM 617 CB MET A 90 4.742 -13.688 7.449 1.00 0.00 C ATOM 618 CG MET A 90 3.790 -13.891 8.629 1.00 0.00 C ATOM 619 SD MET A 90 4.541 -13.219 10.132 1.00 0.00 S ATOM 620 CE MET A 90 5.939 -14.365 10.219 1.00 0.00 C ATOM 0 H MET A 90 5.524 -13.875 4.673 1.00 0.00 H new ATOM 0 HA MET A 90 3.422 -15.020 6.388 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.669 -14.236 7.618 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.006 -12.634 7.358 1.00 0.00 H new ATOM 0 HG2 MET A 90 2.839 -13.396 8.432 1.00 0.00 H new ATOM 0 HG3 MET A 90 3.576 -14.952 8.759 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.099 -14.666 11.254 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.725 -15.246 9.614 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.836 -13.874 9.841 1.00 0.00 H new ATOM 630 N GLU A 91 1.930 -13.250 5.512 1.00 0.00 N ATOM 631 CA GLU A 91 1.027 -12.237 4.970 1.00 0.00 C ATOM 632 C GLU A 91 0.934 -11.045 5.916 1.00 0.00 C ATOM 633 O GLU A 91 0.618 -11.194 7.097 1.00 0.00 O ATOM 634 CB GLU A 91 -0.373 -12.820 4.765 1.00 0.00 C ATOM 635 CG GLU A 91 -0.368 -13.744 3.547 1.00 0.00 C ATOM 636 CD GLU A 91 -1.745 -14.380 3.385 1.00 0.00 C ATOM 637 OE1 GLU A 91 -2.017 -15.341 4.087 1.00 0.00 O ATOM 638 OE2 GLU A 91 -2.507 -13.899 2.564 1.00 0.00 O ATOM 0 H GLU A 91 1.472 -14.105 5.826 1.00 0.00 H new ATOM 0 HA GLU A 91 1.427 -11.910 4.010 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.682 -13.372 5.652 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.096 -12.017 4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.108 -13.180 2.651 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.390 -14.518 3.668 1.00 0.00 H new ATOM 645 N THR A 92 1.213 -9.859 5.384 1.00 0.00 N ATOM 646 CA THR A 92 1.157 -8.642 6.188 1.00 0.00 C ATOM 647 C THR A 92 0.076 -7.706 5.660 1.00 0.00 C ATOM 648 O THR A 92 0.070 -7.339 4.485 1.00 0.00 O ATOM 649 CB THR A 92 2.504 -7.916 6.159 1.00 0.00 C ATOM 650 OG1 THR A 92 3.541 -8.833 6.480 1.00 0.00 O ATOM 651 CG2 THR A 92 2.494 -6.777 7.179 1.00 0.00 C ATOM 0 H THR A 92 1.478 -9.714 4.410 1.00 0.00 H new ATOM 0 HA THR A 92 0.923 -8.927 7.214 1.00 0.00 H new ATOM 0 HB THR A 92 2.675 -7.507 5.163 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.405 -8.370 6.460 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.454 -6.261 7.157 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.698 -6.074 6.932 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.323 -7.183 8.176 1.00 0.00 H new ATOM 659 N GLU A 93 -0.842 -7.325 6.544 1.00 0.00 N ATOM 660 CA GLU A 93 -1.932 -6.432 6.159 1.00 0.00 C ATOM 661 C GLU A 93 -1.486 -4.976 6.248 1.00 0.00 C ATOM 662 O GLU A 93 -0.869 -4.558 7.228 1.00 0.00 O ATOM 663 CB GLU A 93 -3.141 -6.638 7.073 1.00 0.00 C ATOM 664 CG GLU A 93 -3.702 -8.047 6.870 1.00 0.00 C ATOM 665 CD GLU A 93 -5.029 -8.177 7.609 1.00 0.00 C ATOM 666 OE1 GLU A 93 -6.038 -7.784 7.047 1.00 0.00 O ATOM 667 OE2 GLU A 93 -5.017 -8.668 8.725 1.00 0.00 O ATOM 0 H GLU A 93 -0.854 -7.616 7.521 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.209 -6.665 5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.851 -6.497 8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.907 -5.895 6.853 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.845 -8.244 5.807 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.994 -8.789 7.239 1.00 0.00 H new ATOM 674 N ILE A 94 -1.809 -4.208 5.211 1.00 0.00 N ATOM 675 CA ILE A 94 -1.441 -2.796 5.178 1.00 0.00 C ATOM 676 C ILE A 94 -2.652 -1.927 5.505 1.00 0.00 C ATOM 677 O ILE A 94 -3.705 -2.043 4.879 1.00 0.00 O ATOM 678 CB ILE A 94 -0.909 -2.410 3.793 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.200 -3.389 3.369 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.353 -0.984 3.833 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.361 -3.353 4.373 1.00 0.00 C ATOM 0 H ILE A 94 -2.319 -4.535 4.391 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.661 -2.633 5.922 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.723 -2.458 3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.203 -4.400 3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.563 -3.128 2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.024 -0.713 2.847 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.145 -0.293 4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.458 -0.930 4.559 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.136 -4.051 4.058 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.775 -2.346 4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.997 -3.637 5.360 1.00 0.00 H new ATOM 693 N ASN A 95 -2.489 -1.055 6.496 1.00 0.00 N ATOM 694 CA ASN A 95 -3.576 -0.168 6.903 1.00 0.00 C ATOM 695 C ASN A 95 -3.256 1.273 6.518 1.00 0.00 C ATOM 696 O ASN A 95 -2.118 1.725 6.641 1.00 0.00 O ATOM 697 CB ASN A 95 -3.794 -0.243 8.416 1.00 0.00 C ATOM 698 CG ASN A 95 -2.476 0.022 9.133 1.00 0.00 C ATOM 699 OD1 ASN A 95 -1.977 1.148 9.135 1.00 0.00 O ATOM 700 ND2 ASN A 95 -1.874 -0.958 9.750 1.00 0.00 N ATOM 0 H ASN A 95 -1.625 -0.943 7.027 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.483 -0.490 6.392 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.541 0.489 8.723 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.179 -1.225 8.691 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -0.991 -0.791 10.233 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.286 -1.891 9.749 1.00 0.00 H new ATOM 707 N ALA A 96 -4.274 1.988 6.050 1.00 0.00 N ATOM 708 CA ALA A 96 -4.092 3.378 5.646 1.00 0.00 C ATOM 709 C ALA A 96 -3.651 4.227 6.844 1.00 0.00 C ATOM 710 O ALA A 96 -4.157 4.053 7.952 1.00 0.00 O ATOM 711 CB ALA A 96 -5.395 3.948 5.086 1.00 0.00 C ATOM 0 H ALA A 96 -5.224 1.633 5.942 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.323 3.407 4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.241 4.986 4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.704 3.365 4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.171 3.900 5.850 1.00 0.00 H new ATOM 717 N PRO A 97 -2.705 5.157 6.640 1.00 0.00 N ATOM 718 CA PRO A 97 -2.213 6.023 7.721 1.00 0.00 C ATOM 719 C PRO A 97 -3.226 7.100 8.105 1.00 0.00 C ATOM 720 O PRO A 97 -3.294 7.528 9.257 1.00 0.00 O ATOM 721 CB PRO A 97 -0.955 6.662 7.139 1.00 0.00 C ATOM 722 CG PRO A 97 -1.148 6.630 5.662 1.00 0.00 C ATOM 723 CD PRO A 97 -2.031 5.453 5.361 1.00 0.00 C ATOM 0 HA PRO A 97 -2.030 5.458 8.635 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.830 7.684 7.498 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.062 6.110 7.431 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.606 7.555 5.313 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.191 6.535 5.150 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.752 5.688 4.578 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.449 4.600 5.013 1.00 0.00 H new ATOM 731 N THR A 98 -4.011 7.531 7.122 1.00 0.00 N ATOM 732 CA THR A 98 -5.020 8.559 7.360 1.00 0.00 C ATOM 733 C THR A 98 -6.235 8.326 6.468 1.00 0.00 C ATOM 734 O THR A 98 -6.124 7.769 5.376 1.00 0.00 O ATOM 735 CB THR A 98 -4.447 9.947 7.068 1.00 0.00 C ATOM 736 OG1 THR A 98 -4.066 10.023 5.701 1.00 0.00 O ATOM 737 CG2 THR A 98 -3.227 10.194 7.956 1.00 0.00 C ATOM 0 H THR A 98 -3.969 7.189 6.162 1.00 0.00 H new ATOM 0 HA THR A 98 -5.320 8.503 8.406 1.00 0.00 H new ATOM 0 HB THR A 98 -5.203 10.704 7.276 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.700 10.912 5.512 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.819 11.183 7.747 1.00 0.00 H new ATOM 0 HG22 THR A 98 -3.522 10.137 9.004 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.469 9.438 7.751 1.00 0.00 H new ATOM 745 N ASP A 99 -7.399 8.758 6.947 1.00 0.00 N ATOM 746 CA ASP A 99 -8.633 8.591 6.184 1.00 0.00 C ATOM 747 C ASP A 99 -8.595 9.444 4.921 1.00 0.00 C ATOM 748 O ASP A 99 -8.080 10.563 4.926 1.00 0.00 O ATOM 749 CB ASP A 99 -9.844 8.997 7.024 1.00 0.00 C ATOM 750 CG ASP A 99 -9.635 10.403 7.576 1.00 0.00 C ATOM 751 OD1 ASP A 99 -9.711 11.340 6.799 1.00 0.00 O ATOM 752 OD2 ASP A 99 -9.402 10.522 8.768 1.00 0.00 O ATOM 0 H ASP A 99 -7.514 9.221 7.849 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.720 7.539 5.911 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.748 8.965 6.416 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.985 8.291 7.843 1.00 0.00 H new ATOM 757 N GLY A 100 -9.147 8.903 3.840 1.00 0.00 N ATOM 758 CA GLY A 100 -9.171 9.625 2.570 1.00 0.00 C ATOM 759 C GLY A 100 -9.780 8.767 1.466 1.00 0.00 C ATOM 760 O GLY A 100 -10.666 7.948 1.711 1.00 0.00 O ATOM 0 H GLY A 100 -9.579 7.979 3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.747 10.544 2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.157 9.915 2.293 1.00 0.00 H new ATOM 764 N LYS A 101 -9.296 8.970 0.243 1.00 0.00 N ATOM 765 CA LYS A 101 -9.797 8.215 -0.902 1.00 0.00 C ATOM 766 C LYS A 101 -8.649 7.852 -1.841 1.00 0.00 C ATOM 767 O LYS A 101 -7.695 8.613 -2.002 1.00 0.00 O ATOM 768 CB LYS A 101 -10.830 9.039 -1.672 1.00 0.00 C ATOM 769 CG LYS A 101 -11.491 8.167 -2.742 1.00 0.00 C ATOM 770 CD LYS A 101 -12.392 9.036 -3.622 1.00 0.00 C ATOM 771 CE LYS A 101 -13.355 8.144 -4.407 1.00 0.00 C ATOM 772 NZ LYS A 101 -14.158 8.935 -5.382 1.00 0.00 N ATOM 0 H LYS A 101 -8.564 9.645 0.021 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.264 7.303 -0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.585 9.426 -0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.350 9.900 -2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.729 7.680 -3.351 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.076 7.377 -2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.952 9.739 -3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.786 9.627 -4.309 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.792 7.375 -4.936 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -14.023 7.630 -3.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.801 8.301 -5.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.714 9.652 -4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.521 9.405 -6.056 1.00 0.00 H new ATOM 786 N VAL A 102 -8.753 6.677 -2.458 1.00 0.00 N ATOM 787 CA VAL A 102 -7.717 6.218 -3.381 1.00 0.00 C ATOM 788 C VAL A 102 -7.857 6.923 -4.729 1.00 0.00 C ATOM 789 O VAL A 102 -8.776 6.643 -5.499 1.00 0.00 O ATOM 790 CB VAL A 102 -7.822 4.705 -3.588 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.632 4.212 -4.417 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.817 4.002 -2.225 1.00 0.00 C ATOM 0 H VAL A 102 -9.534 6.032 -2.338 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.745 6.456 -2.949 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.749 4.478 -4.115 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.711 3.135 -4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.633 4.710 -5.387 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.704 4.441 -3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.892 2.924 -2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.890 4.234 -1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.665 4.348 -1.634 1.00 0.00 H new ATOM 802 N GLU A 103 -6.934 7.841 -5.001 1.00 0.00 N ATOM 803 CA GLU A 103 -6.960 8.586 -6.257 1.00 0.00 C ATOM 804 C GLU A 103 -6.115 7.885 -7.319 1.00 0.00 C ATOM 805 O GLU A 103 -6.379 8.004 -8.515 1.00 0.00 O ATOM 806 CB GLU A 103 -6.424 10.005 -6.051 1.00 0.00 C ATOM 807 CG GLU A 103 -5.034 9.943 -5.417 1.00 0.00 C ATOM 808 CD GLU A 103 -4.351 11.299 -5.556 1.00 0.00 C ATOM 809 OE1 GLU A 103 -4.716 12.202 -4.822 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.473 11.415 -6.395 1.00 0.00 O ATOM 0 H GLU A 103 -6.166 8.086 -4.376 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.996 8.633 -6.593 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.376 10.528 -7.006 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.101 10.571 -5.411 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.114 9.671 -4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.436 9.171 -5.901 1.00 0.00 H new ATOM 817 N LYS A 104 -5.094 7.156 -6.873 1.00 0.00 N ATOM 818 CA LYS A 104 -4.220 6.445 -7.802 1.00 0.00 C ATOM 819 C LYS A 104 -3.457 5.338 -7.079 1.00 0.00 C ATOM 820 O LYS A 104 -2.862 5.560 -6.025 1.00 0.00 O ATOM 821 CB LYS A 104 -3.216 7.410 -8.435 1.00 0.00 C ATOM 822 CG LYS A 104 -2.815 6.894 -9.818 1.00 0.00 C ATOM 823 CD LYS A 104 -1.989 7.960 -10.542 1.00 0.00 C ATOM 824 CE LYS A 104 -0.563 7.961 -9.991 1.00 0.00 C ATOM 825 NZ LYS A 104 0.151 9.225 -10.333 1.00 0.00 N ATOM 0 H LYS A 104 -4.854 7.043 -5.888 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.844 6.006 -8.581 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.655 8.404 -8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.335 7.503 -7.800 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.237 5.975 -9.721 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.705 6.651 -10.399 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.976 7.760 -11.613 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.443 8.942 -10.407 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.589 7.838 -8.908 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.014 7.110 -10.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.116 9.195 -9.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.197 9.329 -11.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.361 10.034 -9.926 1.00 0.00 H new ATOM 839 N VAL A 105 -3.483 4.142 -7.662 1.00 0.00 N ATOM 840 CA VAL A 105 -2.789 3.000 -7.069 1.00 0.00 C ATOM 841 C VAL A 105 -1.518 2.686 -7.853 1.00 0.00 C ATOM 842 O VAL A 105 -1.572 2.206 -8.985 1.00 0.00 O ATOM 843 CB VAL A 105 -3.690 1.761 -7.066 1.00 0.00 C ATOM 844 CG1 VAL A 105 -3.017 0.638 -6.272 1.00 0.00 C ATOM 845 CG2 VAL A 105 -5.033 2.108 -6.418 1.00 0.00 C ATOM 0 H VAL A 105 -3.971 3.939 -8.534 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.532 3.261 -6.042 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.854 1.431 -8.092 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.660 -0.242 -6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.061 0.389 -6.733 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.851 0.967 -5.246 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.674 1.227 -6.416 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.868 2.439 -5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.515 2.906 -6.984 1.00 0.00 H new ATOM 855 N LEU A 106 -0.374 2.964 -7.236 1.00 0.00 N ATOM 856 CA LEU A 106 0.910 2.708 -7.882 1.00 0.00 C ATOM 857 C LEU A 106 1.267 1.227 -7.792 1.00 0.00 C ATOM 858 O LEU A 106 1.919 0.676 -8.679 1.00 0.00 O ATOM 859 CB LEU A 106 2.018 3.528 -7.217 1.00 0.00 C ATOM 860 CG LEU A 106 1.699 5.010 -7.005 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.457 5.527 -5.781 1.00 0.00 C ATOM 862 CD2 LEU A 106 2.128 5.804 -8.240 1.00 0.00 C ATOM 0 H LEU A 106 -0.308 3.362 -6.299 1.00 0.00 H new ATOM 0 HA LEU A 106 0.822 2.998 -8.929 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.247 3.081 -6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.919 3.451 -7.825 1.00 0.00 H new ATOM 0 HG LEU A 106 0.627 5.131 -6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.229 6.582 -5.631 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.154 4.961 -4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.529 5.406 -5.939 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.901 6.860 -8.091 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.200 5.682 -8.397 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.589 5.437 -9.114 1.00 0.00 H new ATOM 874 N VAL A 107 0.833 0.589 -6.708 1.00 0.00 N ATOM 875 CA VAL A 107 1.113 -0.830 -6.508 1.00 0.00 C ATOM 876 C VAL A 107 0.145 -1.687 -7.317 1.00 0.00 C ATOM 877 O VAL A 107 -0.980 -1.278 -7.604 1.00 0.00 O ATOM 878 CB VAL A 107 0.986 -1.198 -5.028 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.072 -0.478 -4.228 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.391 -0.773 -4.513 1.00 0.00 C ATOM 0 H VAL A 107 0.292 1.026 -5.962 1.00 0.00 H new ATOM 0 HA VAL A 107 2.132 -1.020 -6.844 1.00 0.00 H new ATOM 0 HB VAL A 107 1.102 -2.275 -4.911 1.00 0.00 H new ATOM 0 HG11 VAL A 107 1.982 -0.740 -3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.054 -0.779 -4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 107 1.956 0.599 -4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.482 -1.035 -3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.507 0.304 -4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.166 -1.285 -5.082 1.00 0.00 H new ATOM 890 N LYS A 108 0.597 -2.884 -7.678 1.00 0.00 N ATOM 891 CA LYS A 108 -0.234 -3.801 -8.453 1.00 0.00 C ATOM 892 C LYS A 108 -0.134 -5.213 -7.885 1.00 0.00 C ATOM 893 O LYS A 108 0.854 -5.570 -7.242 1.00 0.00 O ATOM 894 CB LYS A 108 0.211 -3.819 -9.917 1.00 0.00 C ATOM 895 CG LYS A 108 -0.962 -4.245 -10.804 1.00 0.00 C ATOM 896 CD LYS A 108 -0.497 -4.339 -12.260 1.00 0.00 C ATOM 897 CE LYS A 108 -0.118 -5.785 -12.585 1.00 0.00 C ATOM 898 NZ LYS A 108 1.341 -6.021 -12.394 1.00 0.00 N ATOM 0 H LYS A 108 1.525 -3.240 -7.449 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.266 -3.456 -8.393 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.564 -2.831 -10.213 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.046 -4.507 -10.045 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.351 -5.208 -10.473 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.777 -3.526 -10.717 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.289 -4.001 -12.928 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.358 -3.683 -12.422 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.684 -6.463 -11.947 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.393 -6.012 -13.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.701 -6.616 -13.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.843 -5.110 -12.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.499 -6.502 -11.486 1.00 0.00 H new ATOM 912 N GLU A 109 -1.170 -6.014 -8.126 1.00 0.00 N ATOM 913 CA GLU A 109 -1.194 -7.390 -7.633 1.00 0.00 C ATOM 914 C GLU A 109 -0.007 -8.178 -8.180 1.00 0.00 C ATOM 915 O GLU A 109 0.391 -8.012 -9.333 1.00 0.00 O ATOM 916 CB GLU A 109 -2.489 -8.086 -8.055 1.00 0.00 C ATOM 917 CG GLU A 109 -3.599 -7.748 -7.057 1.00 0.00 C ATOM 918 CD GLU A 109 -4.679 -8.822 -7.114 1.00 0.00 C ATOM 919 OE1 GLU A 109 -5.523 -8.740 -7.992 1.00 0.00 O ATOM 920 OE2 GLU A 109 -4.647 -9.712 -6.280 1.00 0.00 O ATOM 0 H GLU A 109 -1.997 -5.738 -8.655 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.135 -7.356 -6.545 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.776 -7.766 -9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.338 -9.165 -8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.189 -7.683 -6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.028 -6.773 -7.290 1.00 0.00 H new ATOM 927 N ARG A 110 0.555 -9.042 -7.336 1.00 0.00 N ATOM 928 CA ARG A 110 1.700 -9.857 -7.738 1.00 0.00 C ATOM 929 C ARG A 110 2.881 -8.968 -8.121 1.00 0.00 C ATOM 930 O ARG A 110 3.638 -9.277 -9.042 1.00 0.00 O ATOM 931 CB ARG A 110 1.334 -10.747 -8.928 1.00 0.00 C ATOM 932 CG ARG A 110 2.109 -12.065 -8.840 1.00 0.00 C ATOM 933 CD ARG A 110 1.488 -12.958 -7.760 1.00 0.00 C ATOM 934 NE ARG A 110 2.530 -13.636 -6.993 1.00 0.00 N ATOM 935 CZ ARG A 110 3.232 -14.634 -7.522 1.00 0.00 C ATOM 936 NH1 ARG A 110 2.622 -15.587 -8.172 1.00 0.00 N ATOM 937 NH2 ARG A 110 4.530 -14.660 -7.391 1.00 0.00 N ATOM 0 H ARG A 110 0.240 -9.195 -6.378 1.00 0.00 H new ATOM 0 HA ARG A 110 1.980 -10.484 -6.892 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.262 -10.943 -8.932 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.568 -10.237 -9.862 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.089 -12.575 -9.803 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.155 -11.868 -8.606 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.871 -12.356 -7.093 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.832 -13.695 -8.223 1.00 0.00 H new ATOM 0 HE ARG A 110 2.722 -13.339 -6.036 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.607 -15.566 -8.274 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.160 -16.353 -8.578 1.00 0.00 H new ATOM 0 HH21 ARG A 110 5.006 -13.915 -6.883 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.068 -15.426 -7.797 1.00 0.00 H new ATOM 951 N ASP A 111 3.028 -7.860 -7.400 1.00 0.00 N ATOM 952 CA ASP A 111 4.119 -6.928 -7.667 1.00 0.00 C ATOM 953 C ASP A 111 5.014 -6.795 -6.438 1.00 0.00 C ATOM 954 O ASP A 111 4.564 -6.954 -5.304 1.00 0.00 O ATOM 955 CB ASP A 111 3.567 -5.549 -8.034 1.00 0.00 C ATOM 956 CG ASP A 111 4.661 -4.723 -8.703 1.00 0.00 C ATOM 957 OD1 ASP A 111 5.438 -5.297 -9.448 1.00 0.00 O ATOM 958 OD2 ASP A 111 4.707 -3.529 -8.459 1.00 0.00 O ATOM 0 H ASP A 111 2.412 -7.587 -6.634 1.00 0.00 H new ATOM 0 HA ASP A 111 4.701 -7.318 -8.502 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.714 -5.654 -8.705 1.00 0.00 H new ATOM 0 HB3 ASP A 111 3.208 -5.040 -7.140 1.00 0.00 H new ATOM 963 N ALA A 112 6.289 -6.502 -6.678 1.00 0.00 N ATOM 964 CA ALA A 112 7.245 -6.352 -5.584 1.00 0.00 C ATOM 965 C ALA A 112 7.355 -4.889 -5.168 1.00 0.00 C ATOM 966 O ALA A 112 7.478 -3.996 -6.007 1.00 0.00 O ATOM 967 CB ALA A 112 8.627 -6.853 -6.008 1.00 0.00 C ATOM 0 H ALA A 112 6.682 -6.365 -7.609 1.00 0.00 H new ATOM 0 HA ALA A 112 6.886 -6.944 -4.742 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.327 -6.734 -5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.564 -7.906 -6.281 1.00 0.00 H new ATOM 0 HB3 ALA A 112 8.976 -6.276 -6.865 1.00 0.00 H new ATOM 973 N VAL A 113 7.308 -4.654 -3.859 1.00 0.00 N ATOM 974 CA VAL A 113 7.404 -3.295 -3.333 1.00 0.00 C ATOM 975 C VAL A 113 8.606 -3.167 -2.404 1.00 0.00 C ATOM 976 O VAL A 113 9.031 -4.138 -1.778 1.00 0.00 O ATOM 977 CB VAL A 113 6.136 -2.930 -2.558 1.00 0.00 C ATOM 978 CG1 VAL A 113 4.947 -2.877 -3.517 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.874 -3.988 -1.484 1.00 0.00 C ATOM 0 H VAL A 113 7.205 -5.379 -3.149 1.00 0.00 H new ATOM 0 HA VAL A 113 7.522 -2.616 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 113 6.267 -1.955 -2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.045 -2.617 -2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.132 -2.125 -4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.816 -3.851 -3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.971 -3.729 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.744 -4.962 -1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.720 -4.028 -0.798 1.00 0.00 H new ATOM 989 N GLN A 114 9.150 -1.955 -2.320 1.00 0.00 N ATOM 990 CA GLN A 114 10.305 -1.707 -1.462 1.00 0.00 C ATOM 991 C GLN A 114 9.864 -1.062 -0.152 1.00 0.00 C ATOM 992 O GLN A 114 8.927 -0.265 -0.120 1.00 0.00 O ATOM 993 CB GLN A 114 11.305 -0.784 -2.160 1.00 0.00 C ATOM 994 CG GLN A 114 12.058 -1.566 -3.237 1.00 0.00 C ATOM 995 CD GLN A 114 12.439 -0.627 -4.376 1.00 0.00 C ATOM 996 OE1 GLN A 114 13.381 0.158 -4.254 1.00 0.00 O ATOM 997 NE2 GLN A 114 11.757 -0.659 -5.489 1.00 0.00 N ATOM 0 H GLN A 114 8.814 -1.138 -2.830 1.00 0.00 H new ATOM 0 HA GLN A 114 10.782 -2.665 -1.255 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.783 0.062 -2.608 1.00 0.00 H new ATOM 0 HB3 GLN A 114 12.008 -0.377 -1.433 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.953 -2.021 -2.812 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.436 -2.378 -3.614 1.00 0.00 H new ATOM 0 HE21 GLN A 114 10.977 -1.309 -5.591 1.00 0.00 H new ATOM 0 HE22 GLN A 114 12.004 -0.035 -6.257 1.00 0.00 H new ATOM 1006 N GLY A 115 10.553 -1.416 0.930 1.00 0.00 N ATOM 1007 CA GLY A 115 10.226 -0.864 2.243 1.00 0.00 C ATOM 1008 C GLY A 115 10.404 0.649 2.251 1.00 0.00 C ATOM 1009 O GLY A 115 11.524 1.158 2.268 1.00 0.00 O ATOM 0 H GLY A 115 11.332 -2.074 0.926 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.198 -1.115 2.503 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.866 -1.314 3.002 1.00 0.00 H new ATOM 1013 N GLY A 116 9.283 1.365 2.235 1.00 0.00 N ATOM 1014 CA GLY A 116 9.323 2.825 2.238 1.00 0.00 C ATOM 1015 C GLY A 116 8.690 3.391 0.969 1.00 0.00 C ATOM 1016 O GLY A 116 8.162 4.504 0.967 1.00 0.00 O ATOM 0 H GLY A 116 8.345 0.964 2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.796 3.205 3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.356 3.164 2.316 1.00 0.00 H new ATOM 1020 N GLN A 117 8.749 2.615 -0.112 1.00 0.00 N ATOM 1021 CA GLN A 117 8.178 3.050 -1.387 1.00 0.00 C ATOM 1022 C GLN A 117 6.682 3.314 -1.243 1.00 0.00 C ATOM 1023 O GLN A 117 5.967 2.573 -0.568 1.00 0.00 O ATOM 1024 CB GLN A 117 8.393 1.980 -2.460 1.00 0.00 C ATOM 1025 CG GLN A 117 8.053 2.557 -3.835 1.00 0.00 C ATOM 1026 CD GLN A 117 8.584 1.627 -4.920 1.00 0.00 C ATOM 1027 OE1 GLN A 117 9.767 1.288 -4.930 1.00 0.00 O ATOM 1028 NE2 GLN A 117 7.773 1.190 -5.844 1.00 0.00 N ATOM 0 H GLN A 117 9.181 1.691 -0.132 1.00 0.00 H new ATOM 0 HA GLN A 117 8.681 3.971 -1.683 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.428 1.637 -2.444 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.766 1.112 -2.253 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.974 2.673 -3.936 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.492 3.549 -3.944 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.792 1.471 -5.836 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.120 0.568 -6.574 1.00 0.00 H new ATOM 1037 N GLY A 118 6.218 4.379 -1.890 1.00 0.00 N ATOM 1038 CA GLY A 118 4.804 4.738 -1.834 1.00 0.00 C ATOM 1039 C GLY A 118 3.943 3.623 -2.418 1.00 0.00 C ATOM 1040 O GLY A 118 4.162 3.173 -3.542 1.00 0.00 O ATOM 0 H GLY A 118 6.794 5.004 -2.454 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.512 4.927 -0.801 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.636 5.662 -2.387 1.00 0.00 H new ATOM 1044 N LEU A 119 2.961 3.179 -1.639 1.00 0.00 N ATOM 1045 CA LEU A 119 2.071 2.111 -2.084 1.00 0.00 C ATOM 1046 C LEU A 119 0.867 2.689 -2.821 1.00 0.00 C ATOM 1047 O LEU A 119 0.621 2.373 -3.986 1.00 0.00 O ATOM 1048 CB LEU A 119 1.575 1.294 -0.892 1.00 0.00 C ATOM 1049 CG LEU A 119 2.650 0.510 -0.137 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.120 0.112 1.242 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.009 -0.751 -0.926 1.00 0.00 C ATOM 0 H LEU A 119 2.762 3.538 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 119 2.635 1.466 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.083 1.968 -0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.819 0.593 -1.244 1.00 0.00 H new ATOM 0 HG LEU A 119 3.537 1.133 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.887 -0.447 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.863 1.009 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.233 -0.510 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.775 -1.310 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.121 -1.372 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.387 -0.470 -1.909 1.00 0.00 H new ATOM 1063 N ILE A 120 0.116 3.538 -2.125 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.069 4.156 -2.716 1.00 0.00 C ATOM 1065 C ILE A 120 -1.180 5.611 -2.272 1.00 0.00 C ATOM 1066 O ILE A 120 -0.820 5.962 -1.148 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.332 3.404 -2.286 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.175 1.914 -2.608 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.546 3.957 -3.038 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.345 1.137 -2.003 1.00 0.00 C ATOM 0 H ILE A 120 0.303 3.812 -1.161 1.00 0.00 H new ATOM 0 HA ILE A 120 -0.973 4.112 -3.801 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.479 3.535 -1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.145 1.765 -3.687 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.232 1.542 -2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.442 3.419 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.663 5.017 -2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.399 3.830 -4.110 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.235 0.077 -2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.354 1.276 -0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.281 1.503 -2.424 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.682 6.455 -3.170 1.00 0.00 N ATOM 1083 CA LYS A 121 -1.836 7.874 -2.863 1.00 0.00 C ATOM 1084 C LYS A 121 -3.236 8.157 -2.330 1.00 0.00 C ATOM 1085 O LYS A 121 -4.237 7.855 -2.979 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.598 8.721 -4.118 1.00 0.00 C ATOM 1087 CG LYS A 121 -0.888 10.022 -3.734 1.00 0.00 C ATOM 1088 CD LYS A 121 -1.880 10.959 -3.040 1.00 0.00 C ATOM 1089 CE LYS A 121 -1.277 12.362 -2.951 1.00 0.00 C ATOM 1090 NZ LYS A 121 -1.298 13.049 -4.273 1.00 0.00 N ATOM 0 H LYS A 121 -1.986 6.185 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.100 8.136 -2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -0.995 8.164 -4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.548 8.943 -4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -0.049 9.809 -3.072 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.479 10.502 -4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -2.818 10.989 -3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -2.112 10.587 -2.042 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -1.833 12.953 -2.224 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -0.251 12.296 -2.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -1.126 14.066 -4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -0.557 12.650 -4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -2.226 12.911 -4.721 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.295 8.743 -1.137 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.579 9.066 -0.520 1.00 0.00 C ATOM 1106 C ILE A 122 -4.891 10.550 -0.694 1.00 0.00 C ATOM 1107 O ILE A 122 -3.995 11.394 -0.673 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.557 8.734 0.975 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -4.065 7.291 1.185 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.965 8.891 1.558 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.994 6.299 0.472 1.00 0.00 C ATOM 0 H ILE A 122 -2.479 9.002 -0.583 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.348 8.470 -1.011 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.878 9.418 1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.050 7.187 0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -4.029 7.064 2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.947 8.654 2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.303 9.918 1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.648 8.213 1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.632 5.283 0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -6.003 6.392 0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -5.008 6.517 -0.596 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.173 10.855 -0.868 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.600 12.241 -1.046 1.00 0.00 C ATOM 1125 C GLY A 123 -7.297 12.760 0.207 1.00 0.00 C ATOM 1126 O GLY A 123 -7.246 12.074 1.216 1.00 0.00 O ATOM 1127 OXT GLY A 123 -7.872 13.834 0.140 1.00 0.00 O ATOM 0 H GLY A 123 -6.928 10.170 -0.890 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -5.736 12.866 -1.272 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -7.276 12.311 -1.898 1.00 0.00 H new TER 1131 GLY A 123