USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=7 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 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 -149:sc= 0.0562 USER MOD Single : A 67 LYS NZ :NH3+ -178:sc= 0.385 (180deg=0.383) 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= -0.347 K(o=-0.35,f=0.83) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0076 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 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0.659 K(o=0.66,f=-1.3) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.788 K(o=-0.79,f=-1.9!) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 47 19.501 9.683 -0.515 1.00 0.00 N ATOM 2 CA ALA A 47 18.273 10.333 0.022 1.00 0.00 C ATOM 3 C ALA A 47 17.707 9.477 1.149 1.00 0.00 C ATOM 4 O ALA A 47 17.674 9.893 2.307 1.00 0.00 O ATOM 5 CB ALA A 47 17.207 10.495 -1.064 1.00 0.00 C ATOM 0 HA ALA A 47 18.543 11.323 0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.324 10.972 -0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 47 17.601 11.113 -1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 47 16.936 9.515 -1.457 1.00 0.00 H new ATOM 13 N GLY A 48 17.262 8.275 0.796 1.00 0.00 N ATOM 14 CA GLY A 48 16.697 7.360 1.785 1.00 0.00 C ATOM 15 C GLY A 48 16.031 6.171 1.103 1.00 0.00 C ATOM 16 O GLY A 48 15.946 6.107 -0.124 1.00 0.00 O ATOM 0 H GLY A 48 17.280 7.913 -0.158 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.483 7.008 2.453 1.00 0.00 H new ATOM 0 HA3 GLY A 48 15.968 7.887 2.400 1.00 0.00 H new ATOM 20 N ALA A 49 15.559 5.228 1.913 1.00 0.00 N ATOM 21 CA ALA A 49 14.899 4.039 1.380 1.00 0.00 C ATOM 22 C ALA A 49 13.411 4.304 1.173 1.00 0.00 C ATOM 23 O ALA A 49 12.792 3.766 0.255 1.00 0.00 O ATOM 24 CB ALA A 49 15.066 2.859 2.338 1.00 0.00 C ATOM 0 H ALA A 49 15.620 5.262 2.931 1.00 0.00 H new ATOM 0 HA ALA A 49 15.362 3.797 0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.568 1.982 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.127 2.645 2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 49 14.623 3.108 3.302 1.00 0.00 H new ATOM 30 N GLY A 50 12.845 5.140 2.038 1.00 0.00 N ATOM 31 CA GLY A 50 11.425 5.472 1.945 1.00 0.00 C ATOM 32 C GLY A 50 11.144 6.298 0.694 1.00 0.00 C ATOM 33 O GLY A 50 11.946 7.142 0.295 1.00 0.00 O ATOM 0 H GLY A 50 13.340 5.596 2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.833 4.557 1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.118 6.028 2.831 1.00 0.00 H new ATOM 37 N LYS A 51 9.991 6.045 0.082 1.00 0.00 N ATOM 38 CA LYS A 51 9.605 6.771 -1.126 1.00 0.00 C ATOM 39 C LYS A 51 8.126 7.145 -1.067 1.00 0.00 C ATOM 40 O LYS A 51 7.399 7.044 -2.057 1.00 0.00 O ATOM 41 CB LYS A 51 9.862 5.914 -2.370 1.00 0.00 C ATOM 42 CG LYS A 51 10.310 6.809 -3.528 1.00 0.00 C ATOM 43 CD LYS A 51 11.839 6.860 -3.571 1.00 0.00 C ATOM 44 CE LYS A 51 12.384 5.490 -3.977 1.00 0.00 C ATOM 45 NZ LYS A 51 13.782 5.590 -4.487 1.00 0.00 N ATOM 0 H LYS A 51 9.313 5.351 0.397 1.00 0.00 H new ATOM 0 HA LYS A 51 10.206 7.679 -1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.627 5.167 -2.158 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.956 5.373 -2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.922 6.424 -4.471 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.905 7.813 -3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.168 7.619 -4.281 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.232 7.145 -2.595 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.355 4.817 -3.120 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.745 5.056 -4.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.123 4.644 -4.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.804 6.214 -5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.395 5.982 -3.744 1.00 0.00 H new ATOM 59 N ALA A 52 7.688 7.580 0.111 1.00 0.00 N ATOM 60 CA ALA A 52 6.294 7.968 0.299 1.00 0.00 C ATOM 61 C ALA A 52 6.159 8.916 1.487 1.00 0.00 C ATOM 62 O ALA A 52 7.144 9.263 2.139 1.00 0.00 O ATOM 63 CB ALA A 52 5.424 6.733 0.545 1.00 0.00 C ATOM 0 H ALA A 52 8.272 7.672 0.942 1.00 0.00 H new ATOM 0 HA ALA A 52 5.960 8.473 -0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.387 7.040 0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.493 6.063 -0.312 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.771 6.215 1.439 1.00 0.00 H new ATOM 69 N GLY A 53 4.925 9.328 1.760 1.00 0.00 N ATOM 70 CA GLY A 53 4.665 10.236 2.874 1.00 0.00 C ATOM 71 C GLY A 53 3.793 11.404 2.427 1.00 0.00 C ATOM 72 O GLY A 53 2.797 11.736 3.069 1.00 0.00 O ATOM 0 H GLY A 53 4.097 9.052 1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.171 9.696 3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.608 10.611 3.271 1.00 0.00 H new ATOM 76 N GLU A 54 4.182 12.027 1.318 1.00 0.00 N ATOM 77 CA GLU A 54 3.431 13.162 0.791 1.00 0.00 C ATOM 78 C GLU A 54 2.212 12.677 0.006 1.00 0.00 C ATOM 79 O GLU A 54 2.095 12.900 -1.201 1.00 0.00 O ATOM 80 CB GLU A 54 4.320 14.015 -0.120 1.00 0.00 C ATOM 81 CG GLU A 54 3.867 15.475 -0.055 1.00 0.00 C ATOM 82 CD GLU A 54 4.344 16.212 -1.301 1.00 0.00 C ATOM 83 OE1 GLU A 54 3.673 16.116 -2.316 1.00 0.00 O ATOM 84 OE2 GLU A 54 5.374 16.860 -1.224 1.00 0.00 O ATOM 0 H GLU A 54 5.004 11.769 0.772 1.00 0.00 H new ATOM 0 HA GLU A 54 3.096 13.768 1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.362 13.932 0.190 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.263 13.651 -1.146 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.781 15.527 0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.269 15.952 0.839 1.00 0.00 H new ATOM 91 N GLY A 55 1.300 12.011 0.708 1.00 0.00 N ATOM 92 CA GLY A 55 0.088 11.500 0.074 1.00 0.00 C ATOM 93 C GLY A 55 0.187 9.996 -0.161 1.00 0.00 C ATOM 94 O GLY A 55 -0.793 9.266 -0.017 1.00 0.00 O ATOM 0 H GLY A 55 1.375 11.814 1.706 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.775 11.717 0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.073 12.010 -0.876 1.00 0.00 H new ATOM 98 N GLU A 56 1.383 9.541 -0.529 1.00 0.00 N ATOM 99 CA GLU A 56 1.598 8.120 -0.786 1.00 0.00 C ATOM 100 C GLU A 56 1.854 7.373 0.518 1.00 0.00 C ATOM 101 O GLU A 56 2.700 7.766 1.322 1.00 0.00 O ATOM 102 CB GLU A 56 2.794 7.916 -1.719 1.00 0.00 C ATOM 103 CG GLU A 56 2.616 8.770 -2.975 1.00 0.00 C ATOM 104 CD GLU A 56 3.716 8.438 -3.977 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.831 8.199 -3.544 1.00 0.00 O ATOM 106 OE2 GLU A 56 3.429 8.430 -5.163 1.00 0.00 O ATOM 0 H GLU A 56 2.208 10.128 -0.655 1.00 0.00 H new ATOM 0 HA GLU A 56 0.698 7.727 -1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.717 8.190 -1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.880 6.864 -1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.638 8.584 -3.418 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.653 9.828 -2.716 1.00 0.00 H new ATOM 113 N ILE A 57 1.112 6.287 0.717 1.00 0.00 N ATOM 114 CA ILE A 57 1.260 5.483 1.928 1.00 0.00 C ATOM 115 C ILE A 57 2.491 4.574 1.812 1.00 0.00 C ATOM 116 O ILE A 57 2.502 3.644 1.006 1.00 0.00 O ATOM 117 CB ILE A 57 0.020 4.611 2.144 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.235 5.488 2.103 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.111 3.921 3.506 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.482 4.602 2.164 1.00 0.00 C ATOM 0 H ILE A 57 0.408 5.945 0.063 1.00 0.00 H new ATOM 0 HA ILE A 57 1.381 6.160 2.773 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.034 3.859 1.357 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.231 6.186 2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.245 6.085 1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.772 3.300 3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.004 3.296 3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.166 4.674 4.292 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.374 5.227 2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.487 3.922 1.312 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.473 4.025 3.089 1.00 0.00 H new ATOM 132 N PRO A 58 3.542 4.824 2.609 1.00 0.00 N ATOM 133 CA PRO A 58 4.766 4.007 2.568 1.00 0.00 C ATOM 134 C PRO A 58 4.552 2.614 3.152 1.00 0.00 C ATOM 135 O PRO A 58 3.737 2.420 4.055 1.00 0.00 O ATOM 136 CB PRO A 58 5.764 4.793 3.415 1.00 0.00 C ATOM 137 CG PRO A 58 4.929 5.609 4.338 1.00 0.00 C ATOM 138 CD PRO A 58 3.649 5.903 3.610 1.00 0.00 C ATOM 0 HA PRO A 58 5.103 3.841 1.545 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.425 4.125 3.967 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.397 5.425 2.793 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.733 5.068 5.264 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.441 6.532 4.610 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.796 5.902 4.289 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.678 6.884 3.136 1.00 0.00 H new ATOM 146 N ALA A 59 5.295 1.644 2.625 1.00 0.00 N ATOM 147 CA ALA A 59 5.181 0.267 3.099 1.00 0.00 C ATOM 148 C ALA A 59 6.054 0.054 4.338 1.00 0.00 C ATOM 149 O ALA A 59 7.080 0.713 4.502 1.00 0.00 O ATOM 150 CB ALA A 59 5.617 -0.713 2.006 1.00 0.00 C ATOM 0 H ALA A 59 5.975 1.783 1.878 1.00 0.00 H new ATOM 0 HA ALA A 59 4.137 0.084 3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.526 -1.734 2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.982 -0.586 1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.654 -0.517 1.734 1.00 0.00 H new ATOM 156 N PRO A 60 5.656 -0.868 5.226 1.00 0.00 N ATOM 157 CA PRO A 60 6.416 -1.157 6.451 1.00 0.00 C ATOM 158 C PRO A 60 7.705 -1.925 6.166 1.00 0.00 C ATOM 159 O PRO A 60 8.685 -1.816 6.902 1.00 0.00 O ATOM 160 CB PRO A 60 5.462 -2.010 7.284 1.00 0.00 C ATOM 161 CG PRO A 60 4.545 -2.645 6.297 1.00 0.00 C ATOM 162 CD PRO A 60 4.447 -1.708 5.127 1.00 0.00 C ATOM 0 HA PRO A 60 6.731 -0.242 6.953 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.004 -2.761 7.858 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.910 -1.400 7.999 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.928 -3.616 5.983 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.563 -2.817 6.737 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.418 -2.253 4.183 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.540 -1.106 5.175 1.00 0.00 H new ATOM 170 N LEU A 61 7.690 -2.704 5.088 1.00 0.00 N ATOM 171 CA LEU A 61 8.862 -3.488 4.710 1.00 0.00 C ATOM 172 C LEU A 61 8.729 -3.986 3.275 1.00 0.00 C ATOM 173 O LEU A 61 7.636 -4.012 2.709 1.00 0.00 O ATOM 174 CB LEU A 61 9.023 -4.691 5.641 1.00 0.00 C ATOM 175 CG LEU A 61 7.751 -5.502 5.893 1.00 0.00 C ATOM 176 CD1 LEU A 61 7.562 -6.520 4.767 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.873 -6.238 7.230 1.00 0.00 C ATOM 0 H LEU A 61 6.888 -2.809 4.466 1.00 0.00 H new ATOM 0 HA LEU A 61 9.738 -2.845 4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.779 -5.355 5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.404 -4.339 6.599 1.00 0.00 H new ATOM 0 HG LEU A 61 6.893 -4.831 5.923 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.655 -7.098 4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.476 -5.997 3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.420 -7.192 4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.967 -6.816 7.411 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.732 -6.909 7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.007 -5.514 8.033 1.00 0.00 H new ATOM 189 N ALA A 62 9.857 -4.382 2.692 1.00 0.00 N ATOM 190 CA ALA A 62 9.860 -4.879 1.319 1.00 0.00 C ATOM 191 C ALA A 62 9.144 -6.223 1.239 1.00 0.00 C ATOM 192 O ALA A 62 9.681 -7.254 1.644 1.00 0.00 O ATOM 193 CB ALA A 62 11.294 -5.048 0.813 1.00 0.00 C ATOM 0 H ALA A 62 10.772 -4.369 3.143 1.00 0.00 H new ATOM 0 HA ALA A 62 9.340 -4.151 0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.277 -5.419 -0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.806 -4.086 0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.822 -5.759 1.448 1.00 0.00 H new ATOM 199 N GLY A 63 7.924 -6.200 0.710 1.00 0.00 N ATOM 200 CA GLY A 63 7.138 -7.425 0.579 1.00 0.00 C ATOM 201 C GLY A 63 6.532 -7.529 -0.816 1.00 0.00 C ATOM 202 O GLY A 63 6.705 -6.640 -1.650 1.00 0.00 O ATOM 0 H GLY A 63 7.461 -5.358 0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.771 -8.291 0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.345 -7.436 1.327 1.00 0.00 H new ATOM 206 N THR A 64 5.818 -8.623 -1.059 1.00 0.00 N ATOM 207 CA THR A 64 5.189 -8.833 -2.360 1.00 0.00 C ATOM 208 C THR A 64 3.691 -8.567 -2.274 1.00 0.00 C ATOM 209 O THR A 64 3.018 -9.014 -1.344 1.00 0.00 O ATOM 210 CB THR A 64 5.413 -10.268 -2.842 1.00 0.00 C ATOM 211 OG1 THR A 64 6.795 -10.586 -2.753 1.00 0.00 O ATOM 212 CG2 THR A 64 4.950 -10.398 -4.294 1.00 0.00 C ATOM 0 H THR A 64 5.661 -9.370 -0.382 1.00 0.00 H new ATOM 0 HA THR A 64 5.643 -8.140 -3.068 1.00 0.00 H new ATOM 0 HB THR A 64 4.841 -10.955 -2.218 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.940 -11.505 -3.060 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.110 -11.420 -4.637 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.890 -10.154 -4.361 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.520 -9.712 -4.920 1.00 0.00 H new ATOM 220 N VAL A 65 3.174 -7.836 -3.256 1.00 0.00 N ATOM 221 CA VAL A 65 1.750 -7.517 -3.284 1.00 0.00 C ATOM 222 C VAL A 65 0.941 -8.761 -3.636 1.00 0.00 C ATOM 223 O VAL A 65 1.100 -9.339 -4.711 1.00 0.00 O ATOM 224 CB VAL A 65 1.462 -6.419 -4.311 1.00 0.00 C ATOM 225 CG1 VAL A 65 -0.001 -5.982 -4.198 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.370 -5.217 -4.042 1.00 0.00 C ATOM 0 H VAL A 65 3.712 -7.457 -4.035 1.00 0.00 H new ATOM 0 HA VAL A 65 1.462 -7.162 -2.295 1.00 0.00 H new ATOM 0 HB VAL A 65 1.651 -6.804 -5.313 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.205 -5.200 -4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.651 -6.836 -4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.190 -5.599 -3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.165 -4.435 -4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.180 -4.835 -3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.413 -5.524 -4.122 1.00 0.00 H new ATOM 236 N SER A 66 0.075 -9.168 -2.712 1.00 0.00 N ATOM 237 CA SER A 66 -0.753 -10.350 -2.929 1.00 0.00 C ATOM 238 C SER A 66 -2.158 -9.949 -3.365 1.00 0.00 C ATOM 239 O SER A 66 -2.685 -10.460 -4.353 1.00 0.00 O ATOM 240 CB SER A 66 -0.845 -11.179 -1.649 1.00 0.00 C ATOM 241 OG SER A 66 0.228 -12.112 -1.618 1.00 0.00 O ATOM 0 H SER A 66 -0.071 -8.703 -1.816 1.00 0.00 H new ATOM 0 HA SER A 66 -0.288 -10.945 -3.715 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.802 -10.528 -0.776 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.800 -11.703 -1.609 1.00 0.00 H new ATOM 0 HG SER A 66 -0.053 -12.918 -1.138 1.00 0.00 H new ATOM 247 N LYS A 67 -2.764 -9.032 -2.614 1.00 0.00 N ATOM 248 CA LYS A 67 -4.114 -8.578 -2.933 1.00 0.00 C ATOM 249 C LYS A 67 -4.325 -7.139 -2.469 1.00 0.00 C ATOM 250 O LYS A 67 -3.873 -6.744 -1.395 1.00 0.00 O ATOM 251 CB LYS A 67 -5.150 -9.479 -2.252 1.00 0.00 C ATOM 252 CG LYS A 67 -6.560 -9.110 -2.730 1.00 0.00 C ATOM 253 CD LYS A 67 -7.059 -10.156 -3.730 1.00 0.00 C ATOM 254 CE LYS A 67 -6.546 -9.813 -5.131 1.00 0.00 C ATOM 255 NZ LYS A 67 -7.321 -10.527 -6.185 1.00 0.00 N ATOM 0 H LYS A 67 -2.348 -8.594 -1.792 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.238 -8.627 -4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.941 -10.524 -2.480 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.084 -9.370 -1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.239 -9.054 -1.879 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.550 -8.124 -3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.713 -11.147 -3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.149 -10.185 -3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.616 -8.737 -5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.492 -10.079 -5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.927 -10.299 -7.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.262 -11.553 -6.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.316 -10.228 -6.147 1.00 0.00 H new ATOM 269 N ILE A 68 -5.027 -6.365 -3.293 1.00 0.00 N ATOM 270 CA ILE A 68 -5.309 -4.969 -2.964 1.00 0.00 C ATOM 271 C ILE A 68 -6.768 -4.821 -2.542 1.00 0.00 C ATOM 272 O ILE A 68 -7.680 -5.229 -3.261 1.00 0.00 O ATOM 273 CB ILE A 68 -5.042 -4.063 -4.171 1.00 0.00 C ATOM 274 CG1 ILE A 68 -3.653 -4.364 -4.745 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.103 -2.597 -3.734 1.00 0.00 C ATOM 276 CD1 ILE A 68 -3.511 -3.704 -6.117 1.00 0.00 C ATOM 0 H ILE A 68 -5.408 -6.677 -4.186 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.654 -4.672 -2.145 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.798 -4.249 -4.934 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.881 -3.993 -4.070 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.510 -5.441 -4.832 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.913 -1.953 -4.593 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.091 -2.379 -3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.348 -2.414 -2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.523 -3.919 -6.524 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.274 -4.096 -6.790 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.635 -2.626 -6.017 1.00 0.00 H new ATOM 288 N LEU A 69 -6.980 -4.239 -1.364 1.00 0.00 N ATOM 289 CA LEU A 69 -8.336 -4.052 -0.852 1.00 0.00 C ATOM 290 C LEU A 69 -8.832 -2.635 -1.124 1.00 0.00 C ATOM 291 O LEU A 69 -9.655 -2.100 -0.381 1.00 0.00 O ATOM 292 CB LEU A 69 -8.377 -4.307 0.654 1.00 0.00 C ATOM 293 CG LEU A 69 -8.331 -5.778 1.075 1.00 0.00 C ATOM 294 CD1 LEU A 69 -6.876 -6.237 1.172 1.00 0.00 C ATOM 295 CD2 LEU A 69 -9.007 -5.937 2.438 1.00 0.00 C ATOM 0 H LEU A 69 -6.241 -3.893 -0.752 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.983 -4.764 -1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.537 -3.789 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.287 -3.860 1.056 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.853 -6.384 0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.844 -7.284 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.393 -6.122 0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.352 -5.632 1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.975 -6.984 2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.483 -5.330 3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.045 -5.610 2.370 1.00 0.00 H new ATOM 307 N VAL A 70 -8.327 -2.029 -2.196 1.00 0.00 N ATOM 308 CA VAL A 70 -8.734 -0.669 -2.548 1.00 0.00 C ATOM 309 C VAL A 70 -8.641 -0.446 -4.053 1.00 0.00 C ATOM 310 O VAL A 70 -7.845 -1.081 -4.747 1.00 0.00 O ATOM 311 CB VAL A 70 -7.853 0.366 -1.847 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.175 0.388 -0.352 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.376 0.012 -2.047 1.00 0.00 C ATOM 0 H VAL A 70 -7.646 -2.449 -2.828 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.767 -0.548 -2.223 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.048 1.349 -2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.546 1.126 0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.223 0.650 -0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.986 -0.597 0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.753 0.753 -1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.178 -0.974 -1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.145 0.005 -3.112 1.00 0.00 H new ATOM 323 N LYS A 71 -9.462 0.476 -4.545 1.00 0.00 N ATOM 324 CA LYS A 71 -9.473 0.801 -5.968 1.00 0.00 C ATOM 325 C LYS A 71 -9.557 2.311 -6.155 1.00 0.00 C ATOM 326 O LYS A 71 -10.050 3.030 -5.285 1.00 0.00 O ATOM 327 CB LYS A 71 -10.668 0.143 -6.662 1.00 0.00 C ATOM 328 CG LYS A 71 -10.592 -1.374 -6.483 1.00 0.00 C ATOM 329 CD LYS A 71 -9.476 -1.937 -7.364 1.00 0.00 C ATOM 330 CE LYS A 71 -9.599 -3.459 -7.435 1.00 0.00 C ATOM 331 NZ LYS A 71 -8.430 -4.067 -8.131 1.00 0.00 N ATOM 0 H LYS A 71 -10.126 1.009 -3.983 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.551 0.425 -6.412 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.600 0.523 -6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.670 0.395 -7.723 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.403 -1.618 -5.438 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.545 -1.830 -6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.538 -1.510 -8.365 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.503 -1.659 -6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.677 -3.867 -6.427 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.516 -3.727 -7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.544 -5.100 -8.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.371 -3.695 -9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.558 -3.830 -7.616 1.00 0.00 H new ATOM 345 N GLU A 72 -9.069 2.788 -7.297 1.00 0.00 N ATOM 346 CA GLU A 72 -9.092 4.222 -7.588 1.00 0.00 C ATOM 347 C GLU A 72 -10.520 4.757 -7.548 1.00 0.00 C ATOM 348 O GLU A 72 -11.234 4.743 -8.551 1.00 0.00 O ATOM 349 CB GLU A 72 -8.496 4.497 -8.970 1.00 0.00 C ATOM 350 CG GLU A 72 -8.248 5.999 -9.131 1.00 0.00 C ATOM 351 CD GLU A 72 -8.486 6.404 -10.582 1.00 0.00 C ATOM 352 OE1 GLU A 72 -9.463 5.946 -11.151 1.00 0.00 O ATOM 353 OE2 GLU A 72 -7.689 7.166 -11.102 1.00 0.00 O ATOM 0 H GLU A 72 -8.657 2.211 -8.030 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.496 4.726 -6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.562 3.949 -9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.175 4.145 -9.747 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.911 6.560 -8.473 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.227 6.243 -8.838 1.00 0.00 H new ATOM 360 N GLY A 73 -10.927 5.231 -6.374 1.00 0.00 N ATOM 361 CA GLY A 73 -12.274 5.770 -6.205 1.00 0.00 C ATOM 362 C GLY A 73 -12.868 5.349 -4.864 1.00 0.00 C ATOM 363 O GLY A 73 -13.691 6.057 -4.286 1.00 0.00 O ATOM 0 H GLY A 73 -10.350 5.253 -5.533 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.245 6.858 -6.268 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.914 5.421 -7.016 1.00 0.00 H new ATOM 367 N ASP A 74 -12.442 4.186 -4.373 1.00 0.00 N ATOM 368 CA ASP A 74 -12.942 3.682 -3.098 1.00 0.00 C ATOM 369 C ASP A 74 -12.514 4.598 -1.956 1.00 0.00 C ATOM 370 O ASP A 74 -11.449 5.214 -2.001 1.00 0.00 O ATOM 371 CB ASP A 74 -12.409 2.273 -2.832 1.00 0.00 C ATOM 372 CG ASP A 74 -13.104 1.279 -3.757 1.00 0.00 C ATOM 373 OD1 ASP A 74 -14.272 1.481 -4.043 1.00 0.00 O ATOM 374 OD2 ASP A 74 -12.457 0.328 -4.165 1.00 0.00 O ATOM 0 H ASP A 74 -11.760 3.583 -4.833 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.030 3.654 -3.153 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.332 2.244 -2.995 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.582 1.999 -1.791 1.00 0.00 H new ATOM 379 N THR A 75 -13.357 4.679 -0.931 1.00 0.00 N ATOM 380 CA THR A 75 -13.059 5.521 0.224 1.00 0.00 C ATOM 381 C THR A 75 -12.460 4.682 1.348 1.00 0.00 C ATOM 382 O THR A 75 -12.977 3.618 1.690 1.00 0.00 O ATOM 383 CB THR A 75 -14.331 6.203 0.733 1.00 0.00 C ATOM 384 OG1 THR A 75 -15.141 6.576 -0.372 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.957 7.447 1.539 1.00 0.00 C ATOM 0 H THR A 75 -14.243 4.178 -0.876 1.00 0.00 H new ATOM 0 HA THR A 75 -12.342 6.281 -0.087 1.00 0.00 H new ATOM 0 HB THR A 75 -14.884 5.513 1.371 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.957 7.011 -0.047 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.863 7.932 1.901 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.336 7.158 2.387 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.404 8.139 0.904 1.00 0.00 H new ATOM 393 N VAL A 76 -11.362 5.172 1.916 1.00 0.00 N ATOM 394 CA VAL A 76 -10.696 4.455 3.001 1.00 0.00 C ATOM 395 C VAL A 76 -10.621 5.323 4.252 1.00 0.00 C ATOM 396 O VAL A 76 -10.799 6.540 4.196 1.00 0.00 O ATOM 397 CB VAL A 76 -9.279 4.057 2.589 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.345 3.033 1.454 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.519 5.296 2.113 1.00 0.00 C ATOM 0 H VAL A 76 -10.918 6.051 1.648 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.279 3.559 3.216 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.763 3.619 3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.334 2.749 1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.886 2.149 1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.862 3.470 0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.508 5.012 1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.036 5.734 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.470 6.026 2.921 1.00 0.00 H new ATOM 409 N LYS A 77 -10.349 4.679 5.382 1.00 0.00 N ATOM 410 CA LYS A 77 -10.243 5.392 6.652 1.00 0.00 C ATOM 411 C LYS A 77 -8.949 5.012 7.362 1.00 0.00 C ATOM 412 O LYS A 77 -8.405 3.927 7.153 1.00 0.00 O ATOM 413 CB LYS A 77 -11.431 5.052 7.558 1.00 0.00 C ATOM 414 CG LYS A 77 -12.741 5.450 6.865 1.00 0.00 C ATOM 415 CD LYS A 77 -13.787 4.350 7.068 1.00 0.00 C ATOM 416 CE LYS A 77 -15.193 4.937 6.909 1.00 0.00 C ATOM 417 NZ LYS A 77 -15.825 5.196 8.234 1.00 0.00 N ATOM 0 H LYS A 77 -10.199 3.672 5.446 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.244 6.462 6.443 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.436 3.985 7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.337 5.577 8.509 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.107 6.393 7.272 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.567 5.608 5.801 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.633 3.550 6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.677 3.909 8.059 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.139 5.866 6.341 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.814 4.249 6.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.776 5.593 8.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.897 4.304 8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.244 5.872 8.770 1.00 0.00 H new ATOM 431 N ALA A 78 -8.460 5.915 8.206 1.00 0.00 N ATOM 432 CA ALA A 78 -7.225 5.665 8.944 1.00 0.00 C ATOM 433 C ALA A 78 -7.378 4.440 9.842 1.00 0.00 C ATOM 434 O ALA A 78 -7.805 4.545 10.992 1.00 0.00 O ATOM 435 CB ALA A 78 -6.861 6.873 9.809 1.00 0.00 C ATOM 0 H ALA A 78 -8.894 6.818 8.395 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.432 5.487 8.218 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.938 6.667 10.351 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.721 7.747 9.173 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.664 7.066 10.520 1.00 0.00 H new ATOM 441 N GLY A 79 -7.023 3.278 9.302 1.00 0.00 N ATOM 442 CA GLY A 79 -7.123 2.035 10.061 1.00 0.00 C ATOM 443 C GLY A 79 -7.629 0.899 9.177 1.00 0.00 C ATOM 444 O GLY A 79 -7.225 -0.254 9.331 1.00 0.00 O ATOM 0 H GLY A 79 -6.667 3.171 8.352 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.147 1.775 10.472 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.798 2.173 10.906 1.00 0.00 H new ATOM 448 N GLN A 80 -8.520 1.236 8.248 1.00 0.00 N ATOM 449 CA GLN A 80 -9.076 0.235 7.343 1.00 0.00 C ATOM 450 C GLN A 80 -7.975 -0.375 6.482 1.00 0.00 C ATOM 451 O GLN A 80 -7.073 0.322 6.018 1.00 0.00 O ATOM 452 CB GLN A 80 -10.131 0.863 6.428 1.00 0.00 C ATOM 453 CG GLN A 80 -10.868 -0.241 5.660 1.00 0.00 C ATOM 454 CD GLN A 80 -11.150 0.225 4.235 1.00 0.00 C ATOM 455 OE1 GLN A 80 -10.657 -0.366 3.274 1.00 0.00 O ATOM 456 NE2 GLN A 80 -11.922 1.258 4.039 1.00 0.00 N ATOM 0 H GLN A 80 -8.869 2.183 8.103 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.539 -0.543 7.949 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.839 1.444 7.018 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.657 1.552 5.729 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.266 -1.150 5.643 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.803 -0.487 6.164 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -12.331 1.748 4.835 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.117 1.576 3.090 1.00 0.00 H new ATOM 465 N THR A 81 -8.062 -1.685 6.272 1.00 0.00 N ATOM 466 CA THR A 81 -7.068 -2.381 5.460 1.00 0.00 C ATOM 467 C THR A 81 -7.165 -1.926 4.008 1.00 0.00 C ATOM 468 O THR A 81 -8.258 -1.776 3.463 1.00 0.00 O ATOM 469 CB THR A 81 -7.281 -3.895 5.526 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.626 -4.266 6.853 1.00 0.00 O ATOM 471 CG2 THR A 81 -5.995 -4.612 5.113 1.00 0.00 C ATOM 0 H THR A 81 -8.800 -2.280 6.647 1.00 0.00 H new ATOM 0 HA THR A 81 -6.081 -2.142 5.855 1.00 0.00 H new ATOM 0 HB THR A 81 -8.086 -4.178 4.848 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.764 -5.235 6.896 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.148 -5.690 5.161 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.731 -4.328 4.094 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.188 -4.330 5.789 1.00 0.00 H new ATOM 479 N VAL A 82 -6.010 -1.695 3.392 1.00 0.00 N ATOM 480 CA VAL A 82 -5.981 -1.242 2.004 1.00 0.00 C ATOM 481 C VAL A 82 -5.294 -2.261 1.097 1.00 0.00 C ATOM 482 O VAL A 82 -5.609 -2.360 -0.089 1.00 0.00 O ATOM 483 CB VAL A 82 -5.241 0.092 1.897 1.00 0.00 C ATOM 484 CG1 VAL A 82 -6.022 1.172 2.647 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.848 -0.048 2.517 1.00 0.00 C ATOM 0 H VAL A 82 -5.093 -1.812 3.824 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.015 -1.123 1.680 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.149 0.372 0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.494 2.122 2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.015 1.273 2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.114 0.892 3.696 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.319 0.902 2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.943 -0.328 3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.289 -0.818 1.985 1.00 0.00 H new ATOM 495 N LEU A 83 -4.346 -3.010 1.654 1.00 0.00 N ATOM 496 CA LEU A 83 -3.626 -4.003 0.860 1.00 0.00 C ATOM 497 C LEU A 83 -2.950 -5.035 1.757 1.00 0.00 C ATOM 498 O LEU A 83 -2.701 -4.791 2.938 1.00 0.00 O ATOM 499 CB LEU A 83 -2.558 -3.312 0.009 1.00 0.00 C ATOM 500 CG LEU A 83 -1.779 -4.222 -0.945 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.369 -3.428 -2.187 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.523 -4.749 -0.242 1.00 0.00 C ATOM 0 H LEU A 83 -4.062 -2.952 2.632 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.348 -4.509 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.038 -2.528 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.848 -2.823 0.676 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.410 -5.061 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.814 -4.076 -2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.260 -3.053 -2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.740 -2.589 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.030 -5.396 -0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.107 -3.910 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.812 -5.315 0.643 1.00 0.00 H new ATOM 514 N VAL A 84 -2.646 -6.192 1.173 1.00 0.00 N ATOM 515 CA VAL A 84 -1.987 -7.264 1.912 1.00 0.00 C ATOM 516 C VAL A 84 -0.719 -7.694 1.179 1.00 0.00 C ATOM 517 O VAL A 84 -0.733 -7.924 -0.029 1.00 0.00 O ATOM 518 CB VAL A 84 -2.916 -8.472 2.059 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.278 -9.496 3.000 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.259 -8.017 2.637 1.00 0.00 C ATOM 0 H VAL A 84 -2.844 -6.410 0.196 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.733 -6.890 2.904 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.076 -8.927 1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.940 -10.356 3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.322 -9.821 2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.117 -9.041 3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.920 -8.877 2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.099 -7.561 3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.715 -7.288 1.967 1.00 0.00 H new ATOM 530 N LEU A 85 0.381 -7.794 1.922 1.00 0.00 N ATOM 531 CA LEU A 85 1.654 -8.188 1.325 1.00 0.00 C ATOM 532 C LEU A 85 2.132 -9.518 1.900 1.00 0.00 C ATOM 533 O LEU A 85 1.593 -10.016 2.888 1.00 0.00 O ATOM 534 CB LEU A 85 2.721 -7.126 1.590 1.00 0.00 C ATOM 535 CG LEU A 85 2.375 -5.711 1.118 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.280 -4.702 1.829 1.00 0.00 C ATOM 537 CD2 LEU A 85 2.589 -5.611 -0.394 1.00 0.00 C ATOM 0 H LEU A 85 0.417 -7.610 2.925 1.00 0.00 H new ATOM 0 HA LEU A 85 1.498 -8.292 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.919 -7.094 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.646 -7.436 1.104 1.00 0.00 H new ATOM 0 HG LEU A 85 1.333 -5.494 1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.035 -3.694 1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.129 -4.773 2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.322 -4.919 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.343 -4.604 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.631 -5.828 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.946 -6.330 -0.901 1.00 0.00 H new ATOM 549 N GLU A 86 3.157 -10.082 1.268 1.00 0.00 N ATOM 550 CA GLU A 86 3.717 -11.353 1.719 1.00 0.00 C ATOM 551 C GLU A 86 5.239 -11.323 1.616 1.00 0.00 C ATOM 552 O GLU A 86 5.823 -11.835 0.661 1.00 0.00 O ATOM 553 CB GLU A 86 3.177 -12.508 0.873 1.00 0.00 C ATOM 554 CG GLU A 86 1.831 -12.968 1.437 1.00 0.00 C ATOM 555 CD GLU A 86 1.297 -14.126 0.601 1.00 0.00 C ATOM 556 OE1 GLU A 86 1.458 -14.083 -0.607 1.00 0.00 O ATOM 557 OE2 GLU A 86 0.734 -15.040 1.181 1.00 0.00 O ATOM 0 H GLU A 86 3.614 -9.683 0.448 1.00 0.00 H new ATOM 0 HA GLU A 86 3.425 -11.504 2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.060 -12.190 -0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.886 -13.336 0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.947 -13.279 2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.120 -12.142 1.429 1.00 0.00 H new ATOM 564 N ALA A 87 5.874 -10.710 2.612 1.00 0.00 N ATOM 565 CA ALA A 87 7.331 -10.608 2.626 1.00 0.00 C ATOM 566 C ALA A 87 7.943 -11.775 3.391 1.00 0.00 C ATOM 567 O ALA A 87 7.610 -12.021 4.551 1.00 0.00 O ATOM 568 CB ALA A 87 7.770 -9.298 3.284 1.00 0.00 C ATOM 0 H ALA A 87 5.409 -10.281 3.412 1.00 0.00 H new ATOM 0 HA ALA A 87 7.677 -10.631 1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.858 -9.239 3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 87 7.362 -8.456 2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.403 -9.265 4.310 1.00 0.00 H new ATOM 574 N MET A 88 8.847 -12.492 2.728 1.00 0.00 N ATOM 575 CA MET A 88 9.512 -13.636 3.352 1.00 0.00 C ATOM 576 C MET A 88 8.485 -14.692 3.758 1.00 0.00 C ATOM 577 O MET A 88 8.592 -15.313 4.816 1.00 0.00 O ATOM 578 CB MET A 88 10.294 -13.192 4.594 1.00 0.00 C ATOM 579 CG MET A 88 11.182 -11.994 4.247 1.00 0.00 C ATOM 580 SD MET A 88 12.477 -12.513 3.093 1.00 0.00 S ATOM 581 CE MET A 88 12.717 -10.911 2.286 1.00 0.00 C ATOM 0 H MET A 88 9.135 -12.305 1.768 1.00 0.00 H new ATOM 0 HA MET A 88 10.203 -14.062 2.625 1.00 0.00 H new ATOM 0 HB2 MET A 88 9.603 -12.925 5.394 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.906 -14.015 4.963 1.00 0.00 H new ATOM 0 HG2 MET A 88 10.582 -11.200 3.803 1.00 0.00 H new ATOM 0 HG3 MET A 88 11.630 -11.586 5.153 1.00 0.00 H new ATOM 0 HE1 MET A 88 13.489 -11.001 1.522 1.00 0.00 H new ATOM 0 HE2 MET A 88 11.783 -10.593 1.823 1.00 0.00 H new ATOM 0 HE3 MET A 88 13.024 -10.173 3.027 1.00 0.00 H new ATOM 591 N LYS A 89 7.484 -14.885 2.902 1.00 0.00 N ATOM 592 CA LYS A 89 6.436 -15.866 3.176 1.00 0.00 C ATOM 593 C LYS A 89 5.685 -15.494 4.452 1.00 0.00 C ATOM 594 O LYS A 89 5.341 -16.353 5.266 1.00 0.00 O ATOM 595 CB LYS A 89 7.035 -17.269 3.329 1.00 0.00 C ATOM 596 CG LYS A 89 7.079 -17.956 1.963 1.00 0.00 C ATOM 597 CD LYS A 89 7.522 -19.411 2.138 1.00 0.00 C ATOM 598 CE LYS A 89 7.296 -20.172 0.830 1.00 0.00 C ATOM 599 NZ LYS A 89 7.371 -21.646 1.039 1.00 0.00 N ATOM 0 H LYS A 89 7.376 -14.381 2.022 1.00 0.00 H new ATOM 0 HA LYS A 89 5.743 -15.866 2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.039 -17.204 3.748 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.437 -17.857 4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.096 -17.918 1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.769 -17.431 1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.575 -19.451 2.418 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.960 -19.879 2.946 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.321 -19.910 0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.043 -19.868 0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.214 -22.133 0.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 8.310 -21.897 1.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.642 -21.938 1.721 1.00 0.00 H new ATOM 613 N MET A 90 5.435 -14.197 4.618 1.00 0.00 N ATOM 614 CA MET A 90 4.725 -13.713 5.799 1.00 0.00 C ATOM 615 C MET A 90 3.661 -12.694 5.405 1.00 0.00 C ATOM 616 O MET A 90 3.973 -11.604 4.926 1.00 0.00 O ATOM 617 CB MET A 90 5.701 -13.061 6.779 1.00 0.00 C ATOM 618 CG MET A 90 5.126 -13.131 8.195 1.00 0.00 C ATOM 619 SD MET A 90 5.268 -14.824 8.820 1.00 0.00 S ATOM 620 CE MET A 90 6.805 -14.595 9.748 1.00 0.00 C ATOM 0 H MET A 90 5.710 -13.470 3.958 1.00 0.00 H new ATOM 0 HA MET A 90 4.247 -14.568 6.276 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.665 -13.569 6.741 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.877 -12.023 6.497 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.661 -12.444 8.851 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.081 -12.820 8.191 1.00 0.00 H new ATOM 0 HE1 MET A 90 7.085 -15.534 10.226 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.598 -14.283 9.068 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.659 -13.830 10.510 1.00 0.00 H new ATOM 630 N GLU A 91 2.401 -13.061 5.618 1.00 0.00 N ATOM 631 CA GLU A 91 1.293 -12.169 5.285 1.00 0.00 C ATOM 632 C GLU A 91 1.353 -10.905 6.135 1.00 0.00 C ATOM 633 O GLU A 91 1.269 -10.959 7.362 1.00 0.00 O ATOM 634 CB GLU A 91 -0.048 -12.866 5.523 1.00 0.00 C ATOM 635 CG GLU A 91 -0.356 -13.801 4.352 1.00 0.00 C ATOM 636 CD GLU A 91 -1.861 -13.842 4.115 1.00 0.00 C ATOM 637 OE1 GLU A 91 -2.492 -12.806 4.253 1.00 0.00 O ATOM 638 OE2 GLU A 91 -2.363 -14.909 3.799 1.00 0.00 O ATOM 0 H GLU A 91 2.123 -13.958 6.015 1.00 0.00 H new ATOM 0 HA GLU A 91 1.381 -11.904 4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.015 -13.432 6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.841 -12.125 5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 91 0.155 -13.456 3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.017 -14.803 4.565 1.00 0.00 H new ATOM 645 N THR A 92 1.498 -9.766 5.466 1.00 0.00 N ATOM 646 CA THR A 92 1.567 -8.486 6.164 1.00 0.00 C ATOM 647 C THR A 92 0.356 -7.629 5.813 1.00 0.00 C ATOM 648 O THR A 92 0.159 -7.250 4.660 1.00 0.00 O ATOM 649 CB THR A 92 2.842 -7.734 5.778 1.00 0.00 C ATOM 650 OG1 THR A 92 3.949 -8.624 5.827 1.00 0.00 O ATOM 651 CG2 THR A 92 3.071 -6.577 6.752 1.00 0.00 C ATOM 0 H THR A 92 1.570 -9.702 4.451 1.00 0.00 H new ATOM 0 HA THR A 92 1.576 -8.683 7.236 1.00 0.00 H new ATOM 0 HB THR A 92 2.738 -7.339 4.768 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.766 -8.144 5.578 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.980 -6.043 6.475 1.00 0.00 H new ATOM 0 HG22 THR A 92 2.222 -5.894 6.712 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.174 -6.968 7.764 1.00 0.00 H new ATOM 659 N GLU A 93 -0.452 -7.329 6.825 1.00 0.00 N ATOM 660 CA GLU A 93 -1.646 -6.515 6.615 1.00 0.00 C ATOM 661 C GLU A 93 -1.294 -5.033 6.658 1.00 0.00 C ATOM 662 O GLU A 93 -0.603 -4.569 7.565 1.00 0.00 O ATOM 663 CB GLU A 93 -2.692 -6.811 7.691 1.00 0.00 C ATOM 664 CG GLU A 93 -3.152 -8.265 7.572 1.00 0.00 C ATOM 665 CD GLU A 93 -4.508 -8.427 8.248 1.00 0.00 C ATOM 666 OE1 GLU A 93 -4.614 -8.075 9.411 1.00 0.00 O ATOM 667 OE2 GLU A 93 -5.422 -8.901 7.593 1.00 0.00 O ATOM 0 H GLU A 93 -0.306 -7.633 7.788 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.054 -6.763 5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.272 -6.632 8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.543 -6.139 7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.221 -8.551 6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.421 -8.928 8.036 1.00 0.00 H new ATOM 674 N ILE A 94 -1.776 -4.296 5.662 1.00 0.00 N ATOM 675 CA ILE A 94 -1.509 -2.862 5.590 1.00 0.00 C ATOM 676 C ILE A 94 -2.761 -2.072 5.955 1.00 0.00 C ATOM 677 O ILE A 94 -3.882 -2.566 5.828 1.00 0.00 O ATOM 678 CB ILE A 94 -1.061 -2.469 4.178 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.094 -3.378 3.725 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.603 -1.007 4.171 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.291 -3.236 4.672 1.00 0.00 C ATOM 0 H ILE A 94 -2.348 -4.662 4.901 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.713 -2.630 6.298 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.898 -2.587 3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.239 -4.416 3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.393 -3.118 2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.285 -0.730 3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.428 -0.366 4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.231 -0.884 4.862 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.099 -3.886 4.337 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.634 -2.201 4.672 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.992 -3.520 5.681 1.00 0.00 H new ATOM 693 N ASN A 95 -2.558 -0.839 6.408 1.00 0.00 N ATOM 694 CA ASN A 95 -3.678 0.015 6.790 1.00 0.00 C ATOM 695 C ASN A 95 -3.409 1.460 6.384 1.00 0.00 C ATOM 696 O ASN A 95 -2.271 1.927 6.414 1.00 0.00 O ATOM 697 CB ASN A 95 -3.907 -0.044 8.301 1.00 0.00 C ATOM 698 CG ASN A 95 -4.091 -1.495 8.732 1.00 0.00 C ATOM 699 OD1 ASN A 95 -3.116 -2.212 8.953 1.00 0.00 O ATOM 700 ND2 ASN A 95 -5.297 -1.975 8.866 1.00 0.00 N ATOM 0 H ASN A 95 -1.638 -0.412 6.519 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.567 -0.348 6.275 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -3.059 0.397 8.825 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.787 0.540 8.569 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.431 -2.944 9.154 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.106 -1.381 8.683 1.00 0.00 H new ATOM 707 N ALA A 96 -4.471 2.161 6.001 1.00 0.00 N ATOM 708 CA ALA A 96 -4.343 3.556 5.588 1.00 0.00 C ATOM 709 C ALA A 96 -3.810 4.409 6.744 1.00 0.00 C ATOM 710 O ALA A 96 -4.168 4.187 7.901 1.00 0.00 O ATOM 711 CB ALA A 96 -5.699 4.108 5.145 1.00 0.00 C ATOM 0 H ALA A 96 -5.421 1.792 5.968 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.644 3.598 4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.586 5.148 4.840 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.073 3.523 4.305 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.405 4.047 5.973 1.00 0.00 H new ATOM 717 N PRO A 97 -2.947 5.394 6.450 1.00 0.00 N ATOM 718 CA PRO A 97 -2.376 6.268 7.484 1.00 0.00 C ATOM 719 C PRO A 97 -3.384 7.294 8.000 1.00 0.00 C ATOM 720 O PRO A 97 -3.398 7.632 9.183 1.00 0.00 O ATOM 721 CB PRO A 97 -1.221 6.970 6.777 1.00 0.00 C ATOM 722 CG PRO A 97 -1.575 6.950 5.330 1.00 0.00 C ATOM 723 CD PRO A 97 -2.450 5.747 5.107 1.00 0.00 C ATOM 0 HA PRO A 97 -2.068 5.700 8.362 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.101 7.991 7.138 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.278 6.455 6.958 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.097 7.864 5.048 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.677 6.893 4.714 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.271 5.975 4.428 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.888 4.925 4.664 1.00 0.00 H new ATOM 731 N THR A 98 -4.226 7.784 7.094 1.00 0.00 N ATOM 732 CA THR A 98 -5.236 8.773 7.463 1.00 0.00 C ATOM 733 C THR A 98 -6.498 8.581 6.629 1.00 0.00 C ATOM 734 O THR A 98 -6.515 7.810 5.669 1.00 0.00 O ATOM 735 CB THR A 98 -4.702 10.189 7.243 1.00 0.00 C ATOM 736 OG1 THR A 98 -3.777 10.183 6.166 1.00 0.00 O ATOM 737 CG2 THR A 98 -4.005 10.677 8.514 1.00 0.00 C ATOM 0 H THR A 98 -4.230 7.517 6.110 1.00 0.00 H new ATOM 0 HA THR A 98 -5.474 8.635 8.518 1.00 0.00 H new ATOM 0 HB THR A 98 -5.530 10.857 7.007 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.435 11.090 6.023 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.625 11.686 8.356 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.716 10.682 9.340 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.176 10.011 8.753 1.00 0.00 H new ATOM 745 N ASP A 99 -7.557 9.292 7.008 1.00 0.00 N ATOM 746 CA ASP A 99 -8.825 9.195 6.290 1.00 0.00 C ATOM 747 C ASP A 99 -8.706 9.820 4.904 1.00 0.00 C ATOM 748 O ASP A 99 -8.040 10.840 4.720 1.00 0.00 O ATOM 749 CB ASP A 99 -9.936 9.907 7.063 1.00 0.00 C ATOM 750 CG ASP A 99 -9.505 11.337 7.373 1.00 0.00 C ATOM 751 OD1 ASP A 99 -8.778 11.520 8.335 1.00 0.00 O ATOM 752 OD2 ASP A 99 -9.909 12.228 6.644 1.00 0.00 O ATOM 0 H ASP A 99 -7.564 9.935 7.800 1.00 0.00 H new ATOM 0 HA ASP A 99 -9.072 8.138 6.191 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.855 9.912 6.477 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.150 9.372 7.988 1.00 0.00 H new ATOM 757 N GLY A 100 -9.361 9.195 3.931 1.00 0.00 N ATOM 758 CA GLY A 100 -9.329 9.690 2.558 1.00 0.00 C ATOM 759 C GLY A 100 -9.721 8.585 1.584 1.00 0.00 C ATOM 760 O GLY A 100 -10.235 7.543 1.986 1.00 0.00 O ATOM 0 H GLY A 100 -9.917 8.350 4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.011 10.534 2.453 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.330 10.056 2.320 1.00 0.00 H new ATOM 764 N LYS A 101 -9.470 8.819 0.299 1.00 0.00 N ATOM 765 CA LYS A 101 -9.803 7.823 -0.716 1.00 0.00 C ATOM 766 C LYS A 101 -8.600 7.551 -1.620 1.00 0.00 C ATOM 767 O LYS A 101 -7.599 8.267 -1.587 1.00 0.00 O ATOM 768 CB LYS A 101 -11.002 8.282 -1.562 1.00 0.00 C ATOM 769 CG LYS A 101 -10.627 9.508 -2.401 1.00 0.00 C ATOM 770 CD LYS A 101 -11.832 9.952 -3.235 1.00 0.00 C ATOM 771 CE LYS A 101 -12.958 10.415 -2.309 1.00 0.00 C ATOM 772 NZ LYS A 101 -13.822 11.435 -2.969 1.00 0.00 N ATOM 0 H LYS A 101 -9.045 9.674 -0.060 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.073 6.900 -0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.325 7.472 -2.215 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.843 8.522 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.304 10.321 -1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.788 9.270 -3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.544 10.761 -3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.177 9.128 -3.860 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.564 9.558 -2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.532 10.832 -1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.575 11.728 -2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.247 12.262 -3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.247 11.028 -3.826 1.00 0.00 H new ATOM 786 N VAL A 102 -8.720 6.502 -2.423 1.00 0.00 N ATOM 787 CA VAL A 102 -7.650 6.116 -3.338 1.00 0.00 C ATOM 788 C VAL A 102 -7.711 6.948 -4.614 1.00 0.00 C ATOM 789 O VAL A 102 -8.657 6.842 -5.396 1.00 0.00 O ATOM 790 CB VAL A 102 -7.780 4.633 -3.697 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.552 4.186 -4.492 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.896 3.796 -2.411 1.00 0.00 C ATOM 0 H VAL A 102 -9.545 5.903 -2.461 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.695 6.292 -2.843 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.674 4.487 -4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.647 3.130 -4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.477 4.774 -5.407 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.655 4.335 -3.891 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.988 2.741 -2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.005 3.943 -1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.776 4.110 -1.851 1.00 0.00 H new ATOM 802 N GLU A 103 -6.691 7.775 -4.819 1.00 0.00 N ATOM 803 CA GLU A 103 -6.643 8.619 -6.010 1.00 0.00 C ATOM 804 C GLU A 103 -5.832 7.942 -7.111 1.00 0.00 C ATOM 805 O GLU A 103 -6.122 8.098 -8.298 1.00 0.00 O ATOM 806 CB GLU A 103 -6.024 9.984 -5.691 1.00 0.00 C ATOM 807 CG GLU A 103 -4.655 9.798 -5.032 1.00 0.00 C ATOM 808 CD GLU A 103 -3.939 11.143 -4.960 1.00 0.00 C ATOM 809 OE1 GLU A 103 -4.150 11.851 -3.989 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.192 11.443 -5.875 1.00 0.00 O ATOM 0 H GLU A 103 -5.897 7.879 -4.187 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.667 8.767 -6.353 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.920 10.568 -6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.683 10.545 -5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.775 9.383 -4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.058 9.086 -5.603 1.00 0.00 H new ATOM 817 N LYS A 104 -4.815 7.184 -6.707 1.00 0.00 N ATOM 818 CA LYS A 104 -3.971 6.485 -7.674 1.00 0.00 C ATOM 819 C LYS A 104 -3.214 5.343 -7.000 1.00 0.00 C ATOM 820 O LYS A 104 -2.487 5.550 -6.028 1.00 0.00 O ATOM 821 CB LYS A 104 -2.960 7.450 -8.296 1.00 0.00 C ATOM 822 CG LYS A 104 -2.468 6.884 -9.630 1.00 0.00 C ATOM 823 CD LYS A 104 -1.866 8.010 -10.472 1.00 0.00 C ATOM 824 CE LYS A 104 -0.367 8.115 -10.187 1.00 0.00 C ATOM 825 NZ LYS A 104 0.419 7.190 -11.052 1.00 0.00 N ATOM 0 H LYS A 104 -4.557 7.039 -5.731 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.618 6.081 -8.452 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.420 8.426 -8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.119 7.598 -7.619 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.723 6.108 -9.455 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.294 6.417 -10.166 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.033 7.815 -11.531 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.358 8.955 -10.240 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.035 9.140 -10.352 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.178 7.884 -9.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.431 7.286 -10.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.118 6.210 -10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.257 7.427 -12.051 1.00 0.00 H new ATOM 839 N VAL A 105 -3.390 4.135 -7.531 1.00 0.00 N ATOM 840 CA VAL A 105 -2.714 2.963 -6.975 1.00 0.00 C ATOM 841 C VAL A 105 -1.515 2.584 -7.838 1.00 0.00 C ATOM 842 O VAL A 105 -1.667 2.106 -8.962 1.00 0.00 O ATOM 843 CB VAL A 105 -3.669 1.768 -6.900 1.00 0.00 C ATOM 844 CG1 VAL A 105 -2.992 0.614 -6.151 1.00 0.00 C ATOM 845 CG2 VAL A 105 -4.941 2.180 -6.157 1.00 0.00 C ATOM 0 H VAL A 105 -3.987 3.942 -8.335 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.378 3.218 -5.970 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.924 1.444 -7.909 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.673 -0.235 -6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.085 0.320 -6.679 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.736 0.936 -5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.622 1.331 -6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.684 2.504 -5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.424 2.999 -6.690 1.00 0.00 H new ATOM 855 N LEU A 106 -0.321 2.800 -7.297 1.00 0.00 N ATOM 856 CA LEU A 106 0.903 2.474 -8.021 1.00 0.00 C ATOM 857 C LEU A 106 1.228 0.989 -7.878 1.00 0.00 C ATOM 858 O LEU A 106 1.822 0.381 -8.769 1.00 0.00 O ATOM 859 CB LEU A 106 2.076 3.294 -7.483 1.00 0.00 C ATOM 860 CG LEU A 106 1.784 4.777 -7.245 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.675 5.300 -6.117 1.00 0.00 C ATOM 862 CD2 LEU A 106 2.071 5.563 -8.527 1.00 0.00 C ATOM 0 H LEU A 106 -0.174 3.196 -6.368 1.00 0.00 H new ATOM 0 HA LEU A 106 0.745 2.712 -9.073 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.407 2.851 -6.544 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.907 3.212 -8.184 1.00 0.00 H new ATOM 0 HG LEU A 106 0.737 4.901 -6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.466 6.356 -5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.473 4.740 -5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.722 5.177 -6.394 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.864 6.620 -8.360 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.118 5.438 -8.804 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.436 5.192 -9.331 1.00 0.00 H new ATOM 874 N VAL A 107 0.836 0.413 -6.744 1.00 0.00 N ATOM 875 CA VAL A 107 1.094 -1.002 -6.491 1.00 0.00 C ATOM 876 C VAL A 107 0.042 -1.874 -7.169 1.00 0.00 C ATOM 877 O VAL A 107 -1.136 -1.522 -7.230 1.00 0.00 O ATOM 878 CB VAL A 107 1.085 -1.285 -4.986 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.224 -0.516 -4.319 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.250 -0.835 -4.384 1.00 0.00 C ATOM 0 H VAL A 107 0.344 0.898 -5.993 1.00 0.00 H new ATOM 0 HA VAL A 107 2.075 -1.241 -6.902 1.00 0.00 H new ATOM 0 HB VAL A 107 1.216 -2.354 -4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.220 -0.716 -3.248 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.176 -0.835 -4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.090 0.552 -4.489 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.253 -1.038 -3.313 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.383 0.234 -4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.066 -1.380 -4.859 1.00 0.00 H new ATOM 890 N LYS A 108 0.485 -3.020 -7.674 1.00 0.00 N ATOM 891 CA LYS A 108 -0.420 -3.949 -8.345 1.00 0.00 C ATOM 892 C LYS A 108 -0.217 -5.361 -7.805 1.00 0.00 C ATOM 893 O LYS A 108 0.828 -5.680 -7.239 1.00 0.00 O ATOM 894 CB LYS A 108 -0.167 -3.949 -9.853 1.00 0.00 C ATOM 895 CG LYS A 108 -0.828 -2.722 -10.483 1.00 0.00 C ATOM 896 CD LYS A 108 -2.262 -3.066 -10.892 1.00 0.00 C ATOM 897 CE LYS A 108 -3.123 -1.804 -10.848 1.00 0.00 C ATOM 898 NZ LYS A 108 -4.407 -1.994 -11.580 1.00 0.00 N ATOM 0 H LYS A 108 1.457 -3.327 -7.633 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.443 -3.626 -8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.905 -3.940 -10.052 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.567 -4.860 -10.299 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.830 -1.893 -9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.259 -2.396 -11.354 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.273 -3.491 -11.896 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.671 -3.821 -10.221 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.330 -1.539 -9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.573 -0.971 -11.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -4.967 -1.119 -11.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -4.209 -2.223 -12.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -4.942 -2.773 -11.146 1.00 0.00 H new ATOM 912 N GLU A 109 -1.229 -6.206 -7.985 1.00 0.00 N ATOM 913 CA GLU A 109 -1.149 -7.585 -7.510 1.00 0.00 C ATOM 914 C GLU A 109 -0.011 -8.325 -8.207 1.00 0.00 C ATOM 915 O GLU A 109 0.301 -8.064 -9.370 1.00 0.00 O ATOM 916 CB GLU A 109 -2.462 -8.321 -7.782 1.00 0.00 C ATOM 917 CG GLU A 109 -3.601 -7.630 -7.032 1.00 0.00 C ATOM 918 CD GLU A 109 -4.929 -7.968 -7.699 1.00 0.00 C ATOM 919 OE1 GLU A 109 -5.327 -9.119 -7.631 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.528 -7.071 -8.270 1.00 0.00 O ATOM 0 H GLU A 109 -2.104 -5.965 -8.450 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.962 -7.560 -6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.670 -8.331 -8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.381 -9.360 -7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.613 -7.952 -5.991 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.447 -6.551 -7.030 1.00 0.00 H new ATOM 927 N ARG A 110 0.606 -9.256 -7.480 1.00 0.00 N ATOM 928 CA ARG A 110 1.712 -10.042 -8.028 1.00 0.00 C ATOM 929 C ARG A 110 2.905 -9.146 -8.350 1.00 0.00 C ATOM 930 O ARG A 110 3.638 -9.383 -9.310 1.00 0.00 O ATOM 931 CB ARG A 110 1.280 -10.776 -9.303 1.00 0.00 C ATOM 932 CG ARG A 110 0.037 -11.620 -9.014 1.00 0.00 C ATOM 933 CD ARG A 110 0.459 -13.047 -8.656 1.00 0.00 C ATOM 934 NE ARG A 110 0.996 -13.733 -9.827 1.00 0.00 N ATOM 935 CZ ARG A 110 0.479 -14.887 -10.242 1.00 0.00 C ATOM 936 NH1 ARG A 110 -0.814 -15.017 -10.363 1.00 0.00 N ATOM 937 NH2 ARG A 110 1.265 -15.890 -10.526 1.00 0.00 N ATOM 0 H ARG A 110 0.361 -9.484 -6.516 1.00 0.00 H new ATOM 0 HA ARG A 110 2.002 -10.772 -7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.068 -10.057 -10.094 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.089 -11.413 -9.660 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.531 -11.181 -8.194 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.618 -11.631 -9.885 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.210 -13.023 -7.866 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.397 -13.598 -8.266 1.00 0.00 H new ATOM 0 HE ARG A 110 1.779 -13.322 -10.335 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.428 -14.234 -10.140 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -1.210 -15.901 -10.681 1.00 0.00 H new ATOM 0 HH21 ARG A 110 2.275 -15.789 -10.430 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.869 -16.774 -10.844 1.00 0.00 H new ATOM 951 N ASP A 111 3.096 -8.114 -7.532 1.00 0.00 N ATOM 952 CA ASP A 111 4.209 -7.190 -7.734 1.00 0.00 C ATOM 953 C ASP A 111 4.952 -6.957 -6.422 1.00 0.00 C ATOM 954 O ASP A 111 4.342 -6.853 -5.358 1.00 0.00 O ATOM 955 CB ASP A 111 3.706 -5.847 -8.268 1.00 0.00 C ATOM 956 CG ASP A 111 2.981 -6.066 -9.591 1.00 0.00 C ATOM 957 OD1 ASP A 111 3.652 -6.334 -10.574 1.00 0.00 O ATOM 958 OD2 ASP A 111 1.766 -5.962 -9.604 1.00 0.00 O ATOM 0 H ASP A 111 2.502 -7.898 -6.732 1.00 0.00 H new ATOM 0 HA ASP A 111 4.886 -7.636 -8.462 1.00 0.00 H new ATOM 0 HB2 ASP A 111 3.034 -5.385 -7.545 1.00 0.00 H new ATOM 0 HB3 ASP A 111 4.543 -5.163 -8.408 1.00 0.00 H new ATOM 963 N ALA A 112 6.276 -6.878 -6.510 1.00 0.00 N ATOM 964 CA ALA A 112 7.098 -6.659 -5.323 1.00 0.00 C ATOM 965 C ALA A 112 7.319 -5.166 -5.092 1.00 0.00 C ATOM 966 O ALA A 112 7.516 -4.399 -6.034 1.00 0.00 O ATOM 967 CB ALA A 112 8.457 -7.345 -5.478 1.00 0.00 C ATOM 0 H ALA A 112 6.800 -6.961 -7.381 1.00 0.00 H new ATOM 0 HA ALA A 112 6.572 -7.084 -4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.056 -7.171 -4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.310 -8.416 -5.614 1.00 0.00 H new ATOM 0 HB3 ALA A 112 8.974 -6.937 -6.346 1.00 0.00 H new ATOM 973 N VAL A 113 7.285 -4.766 -3.823 1.00 0.00 N ATOM 974 CA VAL A 113 7.484 -3.363 -3.470 1.00 0.00 C ATOM 975 C VAL A 113 8.670 -3.217 -2.522 1.00 0.00 C ATOM 976 O VAL A 113 9.124 -4.190 -1.920 1.00 0.00 O ATOM 977 CB VAL A 113 6.233 -2.798 -2.795 1.00 0.00 C ATOM 978 CG1 VAL A 113 5.077 -2.776 -3.795 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.855 -3.680 -1.602 1.00 0.00 C ATOM 0 H VAL A 113 7.123 -5.386 -3.030 1.00 0.00 H new ATOM 0 HA VAL A 113 7.681 -2.809 -4.388 1.00 0.00 H new ATOM 0 HB VAL A 113 6.435 -1.784 -2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.186 -2.373 -3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.344 -2.149 -4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.875 -3.790 -4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.964 -3.278 -1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.655 -4.694 -1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.677 -3.697 -0.887 1.00 0.00 H new ATOM 989 N GLN A 114 9.167 -1.989 -2.394 1.00 0.00 N ATOM 990 CA GLN A 114 10.302 -1.727 -1.514 1.00 0.00 C ATOM 991 C GLN A 114 9.818 -1.183 -0.174 1.00 0.00 C ATOM 992 O GLN A 114 8.862 -0.411 -0.109 1.00 0.00 O ATOM 993 CB GLN A 114 11.253 -0.711 -2.151 1.00 0.00 C ATOM 994 CG GLN A 114 12.140 -1.415 -3.179 1.00 0.00 C ATOM 995 CD GLN A 114 13.075 -2.384 -2.466 1.00 0.00 C ATOM 996 OE1 GLN A 114 12.712 -3.532 -2.208 1.00 0.00 O ATOM 997 NE2 GLN A 114 14.272 -1.988 -2.128 1.00 0.00 N ATOM 0 H GLN A 114 8.807 -1.169 -2.882 1.00 0.00 H new ATOM 0 HA GLN A 114 10.831 -2.667 -1.357 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.683 0.085 -2.631 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.869 -0.243 -1.383 1.00 0.00 H new ATOM 0 HG2 GLN A 114 11.523 -1.952 -3.900 1.00 0.00 H new ATOM 0 HG3 GLN A 114 12.719 -0.681 -3.739 1.00 0.00 H new ATOM 0 HE21 GLN A 114 14.574 -1.037 -2.341 1.00 0.00 H new ATOM 0 HE22 GLN A 114 14.906 -2.629 -1.651 1.00 0.00 H new ATOM 1006 N GLY A 115 10.490 -1.597 0.898 1.00 0.00 N ATOM 1007 CA GLY A 115 10.121 -1.146 2.238 1.00 0.00 C ATOM 1008 C GLY A 115 10.248 0.368 2.352 1.00 0.00 C ATOM 1009 O GLY A 115 11.350 0.912 2.415 1.00 0.00 O ATOM 0 H GLY A 115 11.284 -2.237 0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.097 -1.447 2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.762 -1.626 2.978 1.00 0.00 H new ATOM 1013 N GLY A 116 9.102 1.046 2.375 1.00 0.00 N ATOM 1014 CA GLY A 116 9.094 2.503 2.478 1.00 0.00 C ATOM 1015 C GLY A 116 8.526 3.143 1.213 1.00 0.00 C ATOM 1016 O GLY A 116 8.007 4.258 1.247 1.00 0.00 O ATOM 0 H GLY A 116 8.178 0.616 2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.500 2.806 3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.109 2.864 2.647 1.00 0.00 H new ATOM 1020 N GLN A 117 8.632 2.427 0.093 1.00 0.00 N ATOM 1021 CA GLN A 117 8.127 2.940 -1.180 1.00 0.00 C ATOM 1022 C GLN A 117 6.627 3.215 -1.093 1.00 0.00 C ATOM 1023 O GLN A 117 5.882 2.478 -0.448 1.00 0.00 O ATOM 1024 CB GLN A 117 8.383 1.931 -2.302 1.00 0.00 C ATOM 1025 CG GLN A 117 8.529 2.673 -3.632 1.00 0.00 C ATOM 1026 CD GLN A 117 8.665 1.663 -4.766 1.00 0.00 C ATOM 1027 OE1 GLN A 117 9.713 1.574 -5.405 1.00 0.00 O ATOM 1028 NE2 GLN A 117 7.655 0.890 -5.058 1.00 0.00 N ATOM 0 H GLN A 117 9.058 1.501 0.041 1.00 0.00 H new ATOM 0 HA GLN A 117 8.653 3.870 -1.398 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.286 1.359 -2.092 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.560 1.218 -2.359 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.662 3.311 -3.801 1.00 0.00 H new ATOM 0 HG3 GLN A 117 9.403 3.324 -3.604 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.786 0.964 -4.528 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.734 0.212 -5.816 1.00 0.00 H new ATOM 1037 N GLY A 118 6.197 4.286 -1.754 1.00 0.00 N ATOM 1038 CA GLY A 118 4.784 4.656 -1.750 1.00 0.00 C ATOM 1039 C GLY A 118 3.935 3.552 -2.368 1.00 0.00 C ATOM 1040 O GLY A 118 4.170 3.127 -3.500 1.00 0.00 O ATOM 0 H GLY A 118 6.799 4.908 -2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.456 4.845 -0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.644 5.583 -2.306 1.00 0.00 H new ATOM 1044 N LEU A 119 2.944 3.092 -1.611 1.00 0.00 N ATOM 1045 CA LEU A 119 2.060 2.034 -2.090 1.00 0.00 C ATOM 1046 C LEU A 119 0.862 2.631 -2.822 1.00 0.00 C ATOM 1047 O LEU A 119 0.586 2.291 -3.971 1.00 0.00 O ATOM 1048 CB LEU A 119 1.559 1.184 -0.922 1.00 0.00 C ATOM 1049 CG LEU A 119 2.647 0.628 0.002 1.00 0.00 C ATOM 1050 CD1 LEU A 119 1.996 -0.084 1.188 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.515 -0.365 -0.775 1.00 0.00 C ATOM 0 H LEU A 119 2.734 3.431 -0.672 1.00 0.00 H new ATOM 0 HA LEU A 119 2.628 1.406 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 119 0.873 1.785 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.985 0.349 -1.323 1.00 0.00 H new ATOM 0 HG LEU A 119 3.267 1.447 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.771 -0.479 1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.377 0.622 1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.376 -0.903 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.290 -0.762 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.894 -1.183 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.980 0.142 -1.620 1.00 0.00 H new ATOM 1063 N ILE A 120 0.154 3.525 -2.137 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.017 4.172 -2.725 1.00 0.00 C ATOM 1065 C ILE A 120 -1.133 5.605 -2.220 1.00 0.00 C ATOM 1066 O ILE A 120 -0.763 5.912 -1.087 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.300 3.416 -2.359 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.138 1.928 -2.694 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.476 3.994 -3.154 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.375 1.157 -2.225 1.00 0.00 C ATOM 0 H ILE A 120 0.367 3.816 -1.183 1.00 0.00 H new ATOM 0 HA ILE A 120 -0.893 4.167 -3.808 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.491 3.525 -1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.003 1.800 -3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.245 1.531 -2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.389 3.458 -2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.595 5.050 -2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.282 3.886 -4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.257 0.100 -2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.490 1.275 -1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.259 1.547 -2.729 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.656 6.479 -3.073 1.00 0.00 N ATOM 1083 CA LYS A 121 -1.823 7.880 -2.703 1.00 0.00 C ATOM 1084 C LYS A 121 -3.242 8.125 -2.199 1.00 0.00 C ATOM 1085 O LYS A 121 -4.213 7.641 -2.779 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.554 8.788 -3.903 1.00 0.00 C ATOM 1087 CG LYS A 121 -1.318 10.221 -3.420 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.647 11.031 -4.530 1.00 0.00 C ATOM 1089 CE LYS A 121 0.872 10.965 -4.365 1.00 0.00 C ATOM 1090 NZ LYS A 121 1.540 12.130 -5.011 1.00 0.00 N ATOM 0 H LYS A 121 -1.969 6.246 -4.016 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.109 8.110 -1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -0.684 8.431 -4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.400 8.760 -4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -2.265 10.682 -3.141 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.691 10.217 -2.529 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.935 10.639 -5.505 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -0.983 12.067 -4.492 1.00 0.00 H new ATOM 0 HE2 LYS A 121 1.124 10.941 -3.305 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.247 10.040 -4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.569 12.056 -4.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 1.319 12.138 -6.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 1.199 13.011 -4.576 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.349 8.880 -1.110 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.656 9.182 -0.533 1.00 0.00 C ATOM 1106 C ILE A 122 -5.003 10.653 -0.741 1.00 0.00 C ATOM 1107 O ILE A 122 -4.139 11.527 -0.677 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.665 8.873 0.967 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -4.156 7.441 1.209 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -6.089 9.014 1.515 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -5.050 6.423 0.485 1.00 0.00 C ATOM 0 H ILE A 122 -2.558 9.290 -0.614 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.397 8.560 -1.035 1.00 0.00 H new ATOM 0 HB ILE A 122 -4.010 9.577 1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.129 7.349 0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -4.145 7.228 2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -6.092 8.793 2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.442 10.033 1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.748 8.316 0.999 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.675 5.416 0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -6.070 6.504 0.859 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -5.039 6.626 -0.586 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.283 10.912 -0.992 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.745 12.280 -1.210 1.00 0.00 C ATOM 1125 C GLY A 123 -7.576 12.765 -0.027 1.00 0.00 C ATOM 1126 O GLY A 123 -7.166 12.526 1.097 1.00 0.00 O ATOM 1127 OXT GLY A 123 -8.610 13.368 -0.261 1.00 0.00 O ATOM 0 H GLY A 123 -7.012 10.201 -1.049 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -5.889 12.939 -1.354 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -7.340 12.327 -2.122 1.00 0.00 H new TER 1131 GLY A 123