USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 624 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 NoAdj-H: A 85 HIS HD1 : A 85 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 64 HIS : no HD1:sc= 0.0508 K(o=0.051,f=-1.4!) USER MOD Single : A 86 SER OG : rot 100:sc= -0.247 USER MOD Single : A 89 SER OG : rot -170:sc= -0.427 USER MOD Single : A 101 ASN : amide:sc= -0.0486 K(o=-0.049,f=-1.3!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 123 GLN : amide:sc= -5.29 K(o=-5.3,f=-7.5!) USER MOD Single : A 124 CYS SG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 152:sc= 0.339 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -2.64 K(o=-2.6,f=-0.53) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl 165:sc= -3.41 (180deg=-4.26!) USER MOD Single : A 138 SER OG : rot -80:sc= -0.486 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 54 58.017 4.016 18.914 1.00 0.00 N ATOM 2 CA GLY A 54 58.618 2.877 18.231 1.00 0.00 C ATOM 3 C GLY A 54 60.086 3.148 17.918 1.00 0.00 C ATOM 4 O GLY A 54 60.617 4.204 18.260 1.00 0.00 O ATOM 0 HA2 GLY A 54 58.532 1.987 18.854 1.00 0.00 H new ATOM 0 HA3 GLY A 54 58.076 2.673 17.308 1.00 0.00 H new ATOM 8 N GLY A 55 60.738 2.187 17.270 1.00 0.00 N ATOM 9 CA GLY A 55 62.147 2.336 16.924 1.00 0.00 C ATOM 10 C GLY A 55 62.319 3.294 15.752 1.00 0.00 C ATOM 11 O GLY A 55 62.345 4.511 15.937 1.00 0.00 O ATOM 0 H GLY A 55 60.318 1.305 16.976 1.00 0.00 H new ATOM 0 HA2 GLY A 55 62.700 2.707 17.787 1.00 0.00 H new ATOM 0 HA3 GLY A 55 62.568 1.363 16.669 1.00 0.00 H new ATOM 15 N ALA A 56 62.433 2.749 14.544 1.00 0.00 N ATOM 16 CA ALA A 56 62.596 3.593 13.369 1.00 0.00 C ATOM 17 C ALA A 56 61.392 4.526 13.240 1.00 0.00 C ATOM 18 O ALA A 56 60.257 4.077 13.093 1.00 0.00 O ATOM 19 CB ALA A 56 62.730 2.729 12.106 1.00 0.00 C ATOM 0 H ALA A 56 62.416 1.747 14.356 1.00 0.00 H new ATOM 0 HA ALA A 56 63.503 4.187 13.480 1.00 0.00 H new ATOM 0 HB1 ALA A 56 62.851 3.374 11.235 1.00 0.00 H new ATOM 0 HB2 ALA A 56 63.600 2.079 12.200 1.00 0.00 H new ATOM 0 HB3 ALA A 56 61.834 2.120 11.985 1.00 0.00 H new ATOM 25 N GLU A 57 61.657 5.825 13.294 1.00 0.00 N ATOM 26 CA GLU A 57 60.606 6.830 13.183 1.00 0.00 C ATOM 27 C GLU A 57 60.481 7.317 11.746 1.00 0.00 C ATOM 28 O GLU A 57 59.953 8.398 11.478 1.00 0.00 O ATOM 29 CB GLU A 57 60.916 8.014 14.086 1.00 0.00 C ATOM 30 CG GLU A 57 61.001 7.548 15.542 1.00 0.00 C ATOM 31 CD GLU A 57 59.640 7.045 16.007 1.00 0.00 C ATOM 32 OE1 GLU A 57 58.652 7.421 15.399 1.00 0.00 O ATOM 33 OE2 GLU A 57 59.605 6.290 16.966 1.00 0.00 O ATOM 0 H GLU A 57 62.594 6.209 13.414 1.00 0.00 H new ATOM 0 HA GLU A 57 59.665 6.373 13.489 1.00 0.00 H new ATOM 0 HB2 GLU A 57 61.857 8.475 13.787 1.00 0.00 H new ATOM 0 HB3 GLU A 57 60.142 8.774 13.983 1.00 0.00 H new ATOM 0 HG2 GLU A 57 61.743 6.755 15.636 1.00 0.00 H new ATOM 0 HG3 GLU A 57 61.331 8.370 16.177 1.00 0.00 H new ATOM 40 N ALA A 58 60.981 6.509 10.827 1.00 0.00 N ATOM 41 CA ALA A 58 60.937 6.848 9.416 1.00 0.00 C ATOM 42 C ALA A 58 59.511 6.980 8.917 1.00 0.00 C ATOM 43 O ALA A 58 59.273 7.492 7.830 1.00 0.00 O ATOM 44 CB ALA A 58 61.718 5.830 8.593 1.00 0.00 C ATOM 0 H ALA A 58 61.422 5.613 11.033 1.00 0.00 H new ATOM 0 HA ALA A 58 61.412 7.821 9.293 1.00 0.00 H new ATOM 0 HB1 ALA A 58 61.672 6.103 7.539 1.00 0.00 H new ATOM 0 HB2 ALA A 58 62.758 5.818 8.920 1.00 0.00 H new ATOM 0 HB3 ALA A 58 61.283 4.840 8.731 1.00 0.00 H new ATOM 50 N LEU A 59 58.569 6.535 9.724 1.00 0.00 N ATOM 51 CA LEU A 59 57.161 6.617 9.379 1.00 0.00 C ATOM 52 C LEU A 59 56.792 8.016 8.903 1.00 0.00 C ATOM 53 O LEU A 59 55.809 8.195 8.183 1.00 0.00 O ATOM 54 CB LEU A 59 56.346 6.278 10.613 1.00 0.00 C ATOM 55 CG LEU A 59 56.415 4.776 10.857 1.00 0.00 C ATOM 56 CD1 LEU A 59 56.012 4.490 12.299 1.00 0.00 C ATOM 57 CD2 LEU A 59 55.445 4.051 9.912 1.00 0.00 C ATOM 0 H LEU A 59 58.754 6.109 10.632 1.00 0.00 H new ATOM 0 HA LEU A 59 56.952 5.917 8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 59 56.731 6.818 11.478 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.310 6.590 10.477 1.00 0.00 H new ATOM 0 HG LEU A 59 57.430 4.424 10.673 1.00 0.00 H new ATOM 0 HD11 LEU A 59 56.058 3.417 12.484 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.694 5.004 12.976 1.00 0.00 H new ATOM 0 HD13 LEU A 59 54.995 4.844 12.470 1.00 0.00 H new ATOM 0 HD21 LEU A 59 55.498 2.977 10.090 1.00 0.00 H new ATOM 0 HD22 LEU A 59 54.429 4.400 10.096 1.00 0.00 H new ATOM 0 HD23 LEU A 59 55.719 4.261 8.878 1.00 0.00 H new ATOM 69 N GLU A 60 57.575 9.006 9.312 1.00 0.00 N ATOM 70 CA GLU A 60 57.302 10.376 8.916 1.00 0.00 C ATOM 71 C GLU A 60 57.334 10.514 7.404 1.00 0.00 C ATOM 72 O GLU A 60 56.476 11.170 6.810 1.00 0.00 O ATOM 73 CB GLU A 60 58.341 11.317 9.527 1.00 0.00 C ATOM 74 CG GLU A 60 58.123 11.412 11.037 1.00 0.00 C ATOM 75 CD GLU A 60 59.256 12.202 11.680 1.00 0.00 C ATOM 76 OE1 GLU A 60 60.255 12.419 11.013 1.00 0.00 O ATOM 77 OE2 GLU A 60 59.109 12.581 12.830 1.00 0.00 O ATOM 0 H GLU A 60 58.393 8.886 9.910 1.00 0.00 H new ATOM 0 HA GLU A 60 56.309 10.641 9.278 1.00 0.00 H new ATOM 0 HB2 GLU A 60 59.346 10.951 9.317 1.00 0.00 H new ATOM 0 HB3 GLU A 60 58.261 12.306 9.075 1.00 0.00 H new ATOM 0 HG2 GLU A 60 57.168 11.895 11.245 1.00 0.00 H new ATOM 0 HG3 GLU A 60 58.075 10.412 11.469 1.00 0.00 H new ATOM 84 N LEU A 61 58.325 9.896 6.790 1.00 0.00 N ATOM 85 CA LEU A 61 58.460 9.958 5.340 1.00 0.00 C ATOM 86 C LEU A 61 58.024 8.649 4.677 1.00 0.00 C ATOM 87 O LEU A 61 57.355 8.673 3.649 1.00 0.00 O ATOM 88 CB LEU A 61 59.910 10.248 4.981 1.00 0.00 C ATOM 89 CG LEU A 61 60.393 11.493 5.724 1.00 0.00 C ATOM 90 CD1 LEU A 61 61.843 11.783 5.350 1.00 0.00 C ATOM 91 CD2 LEU A 61 59.519 12.699 5.366 1.00 0.00 C ATOM 0 H LEU A 61 59.044 9.349 7.264 1.00 0.00 H new ATOM 0 HA LEU A 61 57.812 10.754 4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 61 60.535 9.394 5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 61 60.004 10.397 3.905 1.00 0.00 H new ATOM 0 HG LEU A 61 60.322 11.312 6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 61 62.185 12.671 5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 61 62.467 10.933 5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 61 61.915 11.953 4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 61 59.875 13.578 5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 61 59.574 12.882 4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 61 58.486 12.496 5.647 1.00 0.00 H new ATOM 103 N LEU A 62 58.405 7.519 5.279 1.00 0.00 N ATOM 104 CA LEU A 62 58.064 6.204 4.762 1.00 0.00 C ATOM 105 C LEU A 62 58.305 5.154 5.847 1.00 0.00 C ATOM 106 O LEU A 62 57.406 4.871 6.630 1.00 0.00 O ATOM 107 CB LEU A 62 58.895 5.905 3.508 1.00 0.00 C ATOM 108 CG LEU A 62 58.036 6.131 2.269 1.00 0.00 C ATOM 109 CD1 LEU A 62 58.885 6.771 1.167 1.00 0.00 C ATOM 110 CD2 LEU A 62 57.493 4.788 1.786 1.00 0.00 C ATOM 0 H LEU A 62 58.957 7.497 6.136 1.00 0.00 H new ATOM 0 HA LEU A 62 57.011 6.178 4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 62 59.774 6.549 3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 62 59.255 4.876 3.533 1.00 0.00 H new ATOM 0 HG LEU A 62 57.206 6.795 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 62 58.270 6.932 0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 62 59.275 7.727 1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 62 59.715 6.110 0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 62 56.877 4.942 0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 62 58.324 4.127 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 62 56.890 4.335 2.573 1.00 0.00 H new ATOM 122 N GLU A 63 59.524 4.606 5.885 1.00 0.00 N ATOM 123 CA GLU A 63 59.924 3.596 6.862 1.00 0.00 C ATOM 124 C GLU A 63 61.219 2.912 6.436 1.00 0.00 C ATOM 125 O GLU A 63 62.296 3.228 6.945 1.00 0.00 O ATOM 126 CB GLU A 63 58.838 2.551 7.011 1.00 0.00 C ATOM 127 CG GLU A 63 58.134 2.730 8.354 1.00 0.00 C ATOM 128 CD GLU A 63 57.775 1.365 8.935 1.00 0.00 C ATOM 129 OE1 GLU A 63 57.430 0.485 8.162 1.00 0.00 O ATOM 130 OE2 GLU A 63 57.853 1.219 10.143 1.00 0.00 O ATOM 0 H GLU A 63 60.266 4.856 5.231 1.00 0.00 H new ATOM 0 HA GLU A 63 60.083 4.098 7.816 1.00 0.00 H new ATOM 0 HB2 GLU A 63 58.119 2.641 6.197 1.00 0.00 H new ATOM 0 HB3 GLU A 63 59.269 1.552 6.946 1.00 0.00 H new ATOM 0 HG2 GLU A 63 58.781 3.271 9.045 1.00 0.00 H new ATOM 0 HG3 GLU A 63 57.233 3.329 8.226 1.00 0.00 H new ATOM 137 N HIS A 64 61.110 1.970 5.504 1.00 0.00 N ATOM 138 CA HIS A 64 62.276 1.250 5.024 1.00 0.00 C ATOM 139 C HIS A 64 62.740 1.831 3.698 1.00 0.00 C ATOM 140 O HIS A 64 62.030 2.607 3.061 1.00 0.00 O ATOM 141 CB HIS A 64 61.948 -0.234 4.844 1.00 0.00 C ATOM 142 CG HIS A 64 60.705 -0.384 4.031 1.00 0.00 C ATOM 143 ND1 HIS A 64 59.457 -0.407 4.619 1.00 0.00 N ATOM 144 CD2 HIS A 64 60.491 -0.525 2.683 1.00 0.00 C ATOM 145 CE1 HIS A 64 58.552 -0.558 3.645 1.00 0.00 C ATOM 146 NE2 HIS A 64 59.126 -0.635 2.440 1.00 0.00 N ATOM 0 H HIS A 64 60.230 1.691 5.071 1.00 0.00 H new ATOM 0 HA HIS A 64 63.072 1.352 5.761 1.00 0.00 H new ATOM 0 HB2 HIS A 64 62.778 -0.742 4.353 1.00 0.00 H new ATOM 0 HB3 HIS A 64 61.816 -0.707 5.817 1.00 0.00 H new ATOM 0 HD2 HIS A 64 61.263 -0.547 1.928 1.00 0.00 H new ATOM 0 HE1 HIS A 64 57.486 -0.611 3.812 1.00 0.00 H new ATOM 0 HE2 HIS A 64 58.663 -0.750 1.538 1.00 0.00 H new ATOM 154 N CYS A 65 63.936 1.438 3.295 1.00 0.00 N ATOM 155 CA CYS A 65 64.515 1.903 2.044 1.00 0.00 C ATOM 156 C CYS A 65 63.979 1.090 0.873 1.00 0.00 C ATOM 157 O CYS A 65 63.860 -0.117 0.970 1.00 0.00 O ATOM 158 CB CYS A 65 66.024 1.766 2.119 1.00 0.00 C ATOM 159 SG CYS A 65 66.741 2.125 0.501 1.00 0.00 S ATOM 0 H CYS A 65 64.529 0.794 3.819 1.00 0.00 H new ATOM 0 HA CYS A 65 64.244 2.947 1.889 1.00 0.00 H new ATOM 0 HB2 CYS A 65 66.425 2.450 2.867 1.00 0.00 H new ATOM 0 HB3 CYS A 65 66.293 0.757 2.433 1.00 0.00 H new ATOM 164 N GLY A 66 63.635 1.756 -0.221 1.00 0.00 N ATOM 165 CA GLY A 66 63.096 1.063 -1.392 1.00 0.00 C ATOM 166 C GLY A 66 64.157 0.238 -2.133 1.00 0.00 C ATOM 167 O GLY A 66 63.834 -0.765 -2.771 1.00 0.00 O ATOM 0 H GLY A 66 63.717 2.767 -0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 66 62.285 0.406 -1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 66 62.667 1.795 -2.077 1.00 0.00 H new ATOM 171 N VAL A 67 65.409 0.683 -2.078 1.00 0.00 N ATOM 172 CA VAL A 67 66.493 0.001 -2.779 1.00 0.00 C ATOM 173 C VAL A 67 66.686 -1.432 -2.279 1.00 0.00 C ATOM 174 O VAL A 67 66.958 -2.340 -3.067 1.00 0.00 O ATOM 175 CB VAL A 67 67.794 0.780 -2.586 1.00 0.00 C ATOM 176 CG1 VAL A 67 68.964 -0.004 -3.182 1.00 0.00 C ATOM 177 CG2 VAL A 67 67.687 2.143 -3.273 1.00 0.00 C ATOM 0 H VAL A 67 65.698 1.511 -1.557 1.00 0.00 H new ATOM 0 HA VAL A 67 66.227 -0.044 -3.835 1.00 0.00 H new ATOM 0 HB VAL A 67 67.966 0.925 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 67 69.888 0.557 -3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 67 69.046 -0.970 -2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 67 68.793 -0.159 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 67 68.616 2.695 -3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 67 67.507 2.000 -4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 67 66.861 2.706 -2.838 1.00 0.00 H new ATOM 187 N CYS A 68 66.569 -1.625 -0.971 1.00 0.00 N ATOM 188 CA CYS A 68 66.756 -2.945 -0.376 1.00 0.00 C ATOM 189 C CYS A 68 65.462 -3.457 0.250 1.00 0.00 C ATOM 190 O CYS A 68 65.312 -4.652 0.505 1.00 0.00 O ATOM 191 CB CYS A 68 67.857 -2.876 0.686 1.00 0.00 C ATOM 192 SG CYS A 68 67.644 -1.385 1.697 1.00 0.00 S ATOM 0 H CYS A 68 66.346 -0.887 -0.303 1.00 0.00 H new ATOM 0 HA CYS A 68 67.047 -3.640 -1.164 1.00 0.00 H new ATOM 0 HB2 CYS A 68 67.821 -3.763 1.318 1.00 0.00 H new ATOM 0 HB3 CYS A 68 68.836 -2.865 0.207 1.00 0.00 H new ATOM 197 N ARG A 69 64.530 -2.546 0.481 1.00 0.00 N ATOM 198 CA ARG A 69 63.244 -2.899 1.064 1.00 0.00 C ATOM 199 C ARG A 69 63.421 -3.441 2.474 1.00 0.00 C ATOM 200 O ARG A 69 62.725 -4.366 2.894 1.00 0.00 O ATOM 201 CB ARG A 69 62.542 -3.929 0.181 1.00 0.00 C ATOM 202 CG ARG A 69 62.682 -3.520 -1.298 1.00 0.00 C ATOM 203 CD ARG A 69 63.661 -4.454 -2.019 1.00 0.00 C ATOM 204 NE ARG A 69 63.184 -4.742 -3.371 1.00 0.00 N ATOM 205 CZ ARG A 69 63.962 -5.338 -4.280 1.00 0.00 C ATOM 206 NH1 ARG A 69 65.192 -5.678 -3.988 1.00 0.00 N ATOM 207 NH2 ARG A 69 63.492 -5.587 -5.474 1.00 0.00 N ATOM 0 H ARG A 69 64.640 -1.553 0.273 1.00 0.00 H new ATOM 0 HA ARG A 69 62.628 -2.001 1.123 1.00 0.00 H new ATOM 0 HB2 ARG A 69 62.977 -4.916 0.339 1.00 0.00 H new ATOM 0 HB3 ARG A 69 61.488 -3.998 0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 69 61.708 -3.556 -1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 69 63.034 -2.491 -1.366 1.00 0.00 H new ATOM 0 HD2 ARG A 69 64.648 -3.993 -2.064 1.00 0.00 H new ATOM 0 HD3 ARG A 69 63.769 -5.383 -1.458 1.00 0.00 H new ATOM 0 HE ARG A 69 62.232 -4.481 -3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 69 65.566 -5.489 -3.058 1.00 0.00 H new ATOM 0 HH12 ARG A 69 65.776 -6.132 -4.690 1.00 0.00 H new ATOM 0 HH21 ARG A 69 62.534 -5.327 -5.710 1.00 0.00 H new ATOM 0 HH22 ARG A 69 64.083 -6.042 -6.170 1.00 0.00 H new ATOM 221 N GLU A 70 64.351 -2.838 3.205 1.00 0.00 N ATOM 222 CA GLU A 70 64.615 -3.238 4.577 1.00 0.00 C ATOM 223 C GLU A 70 64.600 -2.024 5.484 1.00 0.00 C ATOM 224 O GLU A 70 65.003 -0.929 5.091 1.00 0.00 O ATOM 225 CB GLU A 70 65.959 -3.950 4.672 1.00 0.00 C ATOM 226 CG GLU A 70 65.926 -5.189 3.781 1.00 0.00 C ATOM 227 CD GLU A 70 64.883 -6.176 4.295 1.00 0.00 C ATOM 228 OE1 GLU A 70 64.550 -6.100 5.465 1.00 0.00 O ATOM 229 OE2 GLU A 70 64.432 -6.993 3.509 1.00 0.00 O ATOM 0 H GLU A 70 64.933 -2.071 2.869 1.00 0.00 H new ATOM 0 HA GLU A 70 63.834 -3.927 4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 70 66.762 -3.282 4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 70 66.163 -4.233 5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 70 65.693 -4.903 2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 70 66.908 -5.661 3.765 1.00 0.00 H new ATOM 236 N ARG A 71 64.114 -2.228 6.695 1.00 0.00 N ATOM 237 CA ARG A 71 64.022 -1.152 7.662 1.00 0.00 C ATOM 238 C ARG A 71 65.350 -0.431 7.779 1.00 0.00 C ATOM 239 O ARG A 71 66.413 -1.020 7.584 1.00 0.00 O ATOM 240 CB ARG A 71 63.597 -1.730 9.003 1.00 0.00 C ATOM 241 CG ARG A 71 62.913 -0.644 9.837 1.00 0.00 C ATOM 242 CD ARG A 71 62.157 -1.306 10.984 1.00 0.00 C ATOM 243 NE ARG A 71 61.399 -0.313 11.738 1.00 0.00 N ATOM 244 CZ ARG A 71 60.504 -0.667 12.664 1.00 0.00 C ATOM 245 NH1 ARG A 71 60.278 -1.929 12.931 1.00 0.00 N ATOM 246 NH2 ARG A 71 59.843 0.256 13.308 1.00 0.00 N ATOM 0 H ARG A 71 63.777 -3.130 7.031 1.00 0.00 H new ATOM 0 HA ARG A 71 63.279 -0.425 7.334 1.00 0.00 H new ATOM 0 HB2 ARG A 71 62.917 -2.568 8.850 1.00 0.00 H new ATOM 0 HB3 ARG A 71 64.466 -2.118 9.535 1.00 0.00 H new ATOM 0 HG2 ARG A 71 63.653 0.054 10.227 1.00 0.00 H new ATOM 0 HG3 ARG A 71 62.227 -0.068 9.216 1.00 0.00 H new ATOM 0 HD2 ARG A 71 61.482 -2.066 10.591 1.00 0.00 H new ATOM 0 HD3 ARG A 71 62.859 -1.814 11.645 1.00 0.00 H new ATOM 0 HE ARG A 71 61.557 0.678 11.553 1.00 0.00 H new ATOM 0 HH11 ARG A 71 60.788 -2.656 12.429 1.00 0.00 H new ATOM 0 HH12 ARG A 71 59.592 -2.185 13.641 1.00 0.00 H new ATOM 0 HH21 ARG A 71 60.011 1.241 13.103 1.00 0.00 H new ATOM 0 HH22 ARG A 71 59.158 -0.008 14.016 1.00 0.00 H new ATOM 260 N LEU A 72 65.276 0.856 8.073 1.00 0.00 N ATOM 261 CA LEU A 72 66.472 1.666 8.188 1.00 0.00 C ATOM 262 C LEU A 72 67.187 1.375 9.497 1.00 0.00 C ATOM 263 O LEU A 72 66.626 1.557 10.568 1.00 0.00 O ATOM 264 CB LEU A 72 66.080 3.143 8.122 1.00 0.00 C ATOM 265 CG LEU A 72 65.408 3.434 6.774 1.00 0.00 C ATOM 266 CD1 LEU A 72 64.822 4.853 6.789 1.00 0.00 C ATOM 267 CD2 LEU A 72 66.442 3.315 5.644 1.00 0.00 C ATOM 0 H LEU A 72 64.403 1.359 8.235 1.00 0.00 H new ATOM 0 HA LEU A 72 67.150 1.427 7.368 1.00 0.00 H new ATOM 0 HB2 LEU A 72 65.401 3.387 8.939 1.00 0.00 H new ATOM 0 HB3 LEU A 72 66.963 3.770 8.243 1.00 0.00 H new ATOM 0 HG LEU A 72 64.608 2.713 6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.345 5.060 5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 72 64.084 4.933 7.587 1.00 0.00 H new ATOM 0 HD13 LEU A 72 65.621 5.575 6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 72 65.961 3.522 4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.246 4.032 5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.853 2.306 5.632 1.00 0.00 H new ATOM 279 N ARG A 73 68.431 0.924 9.388 1.00 0.00 N ATOM 280 CA ARG A 73 69.244 0.613 10.559 1.00 0.00 C ATOM 281 C ARG A 73 69.884 1.879 11.105 1.00 0.00 C ATOM 282 O ARG A 73 69.950 2.895 10.415 1.00 0.00 O ATOM 283 CB ARG A 73 70.337 -0.387 10.183 1.00 0.00 C ATOM 284 CG ARG A 73 69.927 -1.786 10.624 1.00 0.00 C ATOM 285 CD ARG A 73 70.891 -2.804 10.024 1.00 0.00 C ATOM 286 NE ARG A 73 70.539 -4.147 10.473 1.00 0.00 N ATOM 287 CZ ARG A 73 71.110 -5.234 9.956 1.00 0.00 C ATOM 288 NH1 ARG A 73 72.017 -5.129 9.019 1.00 0.00 N ATOM 289 NH2 ARG A 73 70.757 -6.415 10.386 1.00 0.00 N ATOM 0 H ARG A 73 68.901 0.765 8.497 1.00 0.00 H new ATOM 0 HA ARG A 73 68.601 0.178 11.324 1.00 0.00 H new ATOM 0 HB2 ARG A 73 70.505 -0.369 9.106 1.00 0.00 H new ATOM 0 HB3 ARG A 73 71.278 -0.107 10.657 1.00 0.00 H new ATOM 0 HG2 ARG A 73 69.937 -1.855 11.712 1.00 0.00 H new ATOM 0 HG3 ARG A 73 68.908 -1.998 10.301 1.00 0.00 H new ATOM 0 HD2 ARG A 73 70.855 -2.754 8.936 1.00 0.00 H new ATOM 0 HD3 ARG A 73 71.913 -2.568 10.320 1.00 0.00 H new ATOM 0 HE ARG A 73 69.836 -4.257 11.204 1.00 0.00 H new ATOM 0 HH11 ARG A 73 72.293 -4.208 8.677 1.00 0.00 H new ATOM 0 HH12 ARG A 73 72.448 -5.968 8.630 1.00 0.00 H new ATOM 0 HH21 ARG A 73 70.048 -6.502 11.114 1.00 0.00 H new ATOM 0 HH22 ARG A 73 71.190 -7.251 9.994 1.00 0.00 H new ATOM 303 N PRO A 74 70.356 1.842 12.321 1.00 0.00 N ATOM 304 CA PRO A 74 71.000 3.023 12.949 1.00 0.00 C ATOM 305 C PRO A 74 72.290 3.404 12.234 1.00 0.00 C ATOM 306 O PRO A 74 72.629 4.581 12.117 1.00 0.00 O ATOM 307 CB PRO A 74 71.267 2.585 14.390 1.00 0.00 C ATOM 308 CG PRO A 74 71.257 1.096 14.361 1.00 0.00 C ATOM 309 CD PRO A 74 70.330 0.684 13.222 1.00 0.00 C ATOM 0 HA PRO A 74 70.372 3.912 12.896 1.00 0.00 H new ATOM 0 HB2 PRO A 74 72.225 2.964 14.744 1.00 0.00 H new ATOM 0 HB3 PRO A 74 70.503 2.970 15.065 1.00 0.00 H new ATOM 0 HG2 PRO A 74 72.262 0.706 14.202 1.00 0.00 H new ATOM 0 HG3 PRO A 74 70.905 0.693 15.311 1.00 0.00 H new ATOM 0 HD2 PRO A 74 70.683 -0.219 12.724 1.00 0.00 H new ATOM 0 HD3 PRO A 74 69.322 0.477 13.580 1.00 0.00 H new ATOM 317 N GLU A 75 72.992 2.393 11.737 1.00 0.00 N ATOM 318 CA GLU A 75 74.230 2.622 11.010 1.00 0.00 C ATOM 319 C GLU A 75 73.954 2.731 9.507 1.00 0.00 C ATOM 320 O GLU A 75 74.873 2.940 8.718 1.00 0.00 O ATOM 321 CB GLU A 75 75.206 1.473 11.265 1.00 0.00 C ATOM 322 CG GLU A 75 74.916 0.855 12.634 1.00 0.00 C ATOM 323 CD GLU A 75 76.051 -0.082 13.034 1.00 0.00 C ATOM 324 OE1 GLU A 75 76.717 -0.587 12.146 1.00 0.00 O ATOM 325 OE2 GLU A 75 76.237 -0.281 14.223 1.00 0.00 O ATOM 0 H GLU A 75 72.725 1.412 11.824 1.00 0.00 H new ATOM 0 HA GLU A 75 74.669 3.556 11.360 1.00 0.00 H new ATOM 0 HB2 GLU A 75 75.108 0.718 10.485 1.00 0.00 H new ATOM 0 HB3 GLU A 75 76.232 1.838 11.228 1.00 0.00 H new ATOM 0 HG2 GLU A 75 74.802 1.641 13.380 1.00 0.00 H new ATOM 0 HG3 GLU A 75 73.975 0.307 12.603 1.00 0.00 H new ATOM 332 N ARG A 76 72.688 2.563 9.116 1.00 0.00 N ATOM 333 CA ARG A 76 72.311 2.619 7.707 1.00 0.00 C ATOM 334 C ARG A 76 72.494 4.016 7.136 1.00 0.00 C ATOM 335 O ARG A 76 72.623 4.200 5.919 1.00 0.00 O ATOM 336 CB ARG A 76 70.844 2.253 7.555 1.00 0.00 C ATOM 337 CG ARG A 76 70.601 1.709 6.138 1.00 0.00 C ATOM 338 CD ARG A 76 69.786 0.425 6.213 1.00 0.00 C ATOM 339 NE ARG A 76 70.084 -0.433 5.069 1.00 0.00 N ATOM 340 CZ ARG A 76 69.681 -1.703 5.018 1.00 0.00 C ATOM 341 NH1 ARG A 76 69.008 -2.233 6.006 1.00 0.00 N ATOM 342 NH2 ARG A 76 69.960 -2.424 3.966 1.00 0.00 N ATOM 0 H ARG A 76 71.912 2.388 9.754 1.00 0.00 H new ATOM 0 HA ARG A 76 72.953 1.919 7.171 1.00 0.00 H new ATOM 0 HB2 ARG A 76 70.565 1.505 8.297 1.00 0.00 H new ATOM 0 HB3 ARG A 76 70.219 3.128 7.734 1.00 0.00 H new ATOM 0 HG2 ARG A 76 70.074 2.451 5.539 1.00 0.00 H new ATOM 0 HG3 ARG A 76 71.553 1.518 5.643 1.00 0.00 H new ATOM 0 HD2 ARG A 76 70.011 -0.103 7.140 1.00 0.00 H new ATOM 0 HD3 ARG A 76 68.722 0.662 6.231 1.00 0.00 H new ATOM 0 HE ARG A 76 70.615 -0.050 4.287 1.00 0.00 H new ATOM 0 HH11 ARG A 76 68.785 -1.674 6.829 1.00 0.00 H new ATOM 0 HH12 ARG A 76 68.706 -3.206 5.953 1.00 0.00 H new ATOM 0 HH21 ARG A 76 70.482 -2.015 3.191 1.00 0.00 H new ATOM 0 HH22 ARG A 76 69.656 -3.396 3.919 1.00 0.00 H new ATOM 356 N GLU A 77 72.465 5.005 8.015 1.00 0.00 N ATOM 357 CA GLU A 77 72.593 6.379 7.582 1.00 0.00 C ATOM 358 C GLU A 77 71.544 6.688 6.526 1.00 0.00 C ATOM 359 O GLU A 77 71.853 6.853 5.349 1.00 0.00 O ATOM 360 CB GLU A 77 73.986 6.624 7.022 1.00 0.00 C ATOM 361 CG GLU A 77 74.165 8.116 6.776 1.00 0.00 C ATOM 362 CD GLU A 77 75.585 8.398 6.303 1.00 0.00 C ATOM 363 OE1 GLU A 77 76.387 7.479 6.322 1.00 0.00 O ATOM 364 OE2 GLU A 77 75.849 9.528 5.927 1.00 0.00 O ATOM 0 H GLU A 77 72.355 4.880 9.021 1.00 0.00 H new ATOM 0 HA GLU A 77 72.439 7.036 8.438 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.741 6.264 7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 77 74.121 6.070 6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 77 73.449 8.458 6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 77 73.961 8.671 7.691 1.00 0.00 H new ATOM 371 N PRO A 78 70.312 6.751 6.937 1.00 0.00 N ATOM 372 CA PRO A 78 69.163 7.030 6.029 1.00 0.00 C ATOM 373 C PRO A 78 69.203 8.447 5.483 1.00 0.00 C ATOM 374 O PRO A 78 69.705 9.366 6.129 1.00 0.00 O ATOM 375 CB PRO A 78 67.935 6.813 6.918 1.00 0.00 C ATOM 376 CG PRO A 78 68.425 7.019 8.311 1.00 0.00 C ATOM 377 CD PRO A 78 69.876 6.564 8.326 1.00 0.00 C ATOM 0 HA PRO A 78 69.168 6.389 5.148 1.00 0.00 H new ATOM 0 HB2 PRO A 78 67.140 7.517 6.671 1.00 0.00 H new ATOM 0 HB3 PRO A 78 67.526 5.811 6.788 1.00 0.00 H new ATOM 0 HG2 PRO A 78 68.343 8.067 8.601 1.00 0.00 H new ATOM 0 HG3 PRO A 78 67.830 6.444 9.021 1.00 0.00 H new ATOM 0 HD2 PRO A 78 70.475 7.157 9.017 1.00 0.00 H new ATOM 0 HD3 PRO A 78 69.966 5.523 8.638 1.00 0.00 H new ATOM 385 N ARG A 79 68.684 8.600 4.280 1.00 0.00 N ATOM 386 CA ARG A 79 68.669 9.888 3.616 1.00 0.00 C ATOM 387 C ARG A 79 67.374 10.093 2.847 1.00 0.00 C ATOM 388 O ARG A 79 66.657 9.141 2.571 1.00 0.00 O ATOM 389 CB ARG A 79 69.846 9.975 2.661 1.00 0.00 C ATOM 390 CG ARG A 79 71.073 10.502 3.408 1.00 0.00 C ATOM 391 CD ARG A 79 72.085 11.056 2.408 1.00 0.00 C ATOM 392 NE ARG A 79 73.206 11.671 3.110 1.00 0.00 N ATOM 393 CZ ARG A 79 74.210 10.942 3.600 1.00 0.00 C ATOM 394 NH1 ARG A 79 74.213 9.640 3.472 1.00 0.00 N ATOM 395 NH2 ARG A 79 75.200 11.532 4.213 1.00 0.00 N ATOM 0 H ARG A 79 68.265 7.843 3.740 1.00 0.00 H new ATOM 0 HA ARG A 79 68.743 10.668 4.374 1.00 0.00 H new ATOM 0 HB2 ARG A 79 70.058 8.993 2.239 1.00 0.00 H new ATOM 0 HB3 ARG A 79 69.604 10.635 1.828 1.00 0.00 H new ATOM 0 HG2 ARG A 79 70.777 11.282 4.110 1.00 0.00 H new ATOM 0 HG3 ARG A 79 71.526 9.702 3.993 1.00 0.00 H new ATOM 0 HD2 ARG A 79 72.446 10.254 1.764 1.00 0.00 H new ATOM 0 HD3 ARG A 79 71.604 11.791 1.763 1.00 0.00 H new ATOM 0 HE ARG A 79 73.223 12.684 3.229 1.00 0.00 H new ATOM 0 HH11 ARG A 79 73.443 9.173 2.994 1.00 0.00 H new ATOM 0 HH12 ARG A 79 74.986 9.092 3.850 1.00 0.00 H new ATOM 0 HH21 ARG A 79 75.204 12.547 4.316 1.00 0.00 H new ATOM 0 HH22 ARG A 79 75.970 10.978 4.589 1.00 0.00 H new ATOM 409 N LEU A 80 67.082 11.343 2.507 1.00 0.00 N ATOM 410 CA LEU A 80 65.864 11.659 1.771 1.00 0.00 C ATOM 411 C LEU A 80 66.193 12.217 0.385 1.00 0.00 C ATOM 412 O LEU A 80 66.961 13.168 0.254 1.00 0.00 O ATOM 413 CB LEU A 80 65.043 12.689 2.554 1.00 0.00 C ATOM 414 CG LEU A 80 63.753 13.013 1.803 1.00 0.00 C ATOM 415 CD1 LEU A 80 62.882 11.767 1.738 1.00 0.00 C ATOM 416 CD2 LEU A 80 63.007 14.127 2.539 1.00 0.00 C ATOM 0 H LEU A 80 67.667 12.149 2.727 1.00 0.00 H new ATOM 0 HA LEU A 80 65.288 10.742 1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 80 64.808 12.301 3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 80 65.627 13.598 2.698 1.00 0.00 H new ATOM 0 HG LEU A 80 63.988 13.342 0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 80 61.960 11.995 1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 80 63.419 10.975 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 80 62.642 11.438 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 80 62.085 14.361 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 80 62.768 13.798 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 80 63.635 15.016 2.586 1.00 0.00 H new ATOM 428 N LEU A 81 65.593 11.622 -0.641 1.00 0.00 N ATOM 429 CA LEU A 81 65.808 12.065 -2.019 1.00 0.00 C ATOM 430 C LEU A 81 64.840 13.190 -2.386 1.00 0.00 C ATOM 431 O LEU A 81 63.838 13.407 -1.707 1.00 0.00 O ATOM 432 CB LEU A 81 65.585 10.895 -2.979 1.00 0.00 C ATOM 433 CG LEU A 81 66.925 10.342 -3.458 1.00 0.00 C ATOM 434 CD1 LEU A 81 67.730 9.838 -2.260 1.00 0.00 C ATOM 435 CD2 LEU A 81 66.668 9.185 -4.429 1.00 0.00 C ATOM 0 H LEU A 81 64.954 10.832 -0.547 1.00 0.00 H new ATOM 0 HA LEU A 81 66.831 12.432 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 81 65.017 10.110 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 81 64.993 11.224 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 81 67.489 11.127 -3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 81 68.686 9.444 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 81 67.905 10.661 -1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 81 67.173 9.049 -1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 81 67.620 8.783 -4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 81 66.107 8.401 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 81 66.094 9.547 -5.282 1.00 0.00 H new ATOM 447 N PRO A 82 65.115 13.887 -3.457 1.00 0.00 N ATOM 448 CA PRO A 82 64.246 14.996 -3.948 1.00 0.00 C ATOM 449 C PRO A 82 62.941 14.484 -4.562 1.00 0.00 C ATOM 450 O PRO A 82 62.056 15.270 -4.901 1.00 0.00 O ATOM 451 CB PRO A 82 65.110 15.696 -4.997 1.00 0.00 C ATOM 452 CG PRO A 82 66.051 14.650 -5.489 1.00 0.00 C ATOM 453 CD PRO A 82 66.291 13.696 -4.326 1.00 0.00 C ATOM 0 HA PRO A 82 63.932 15.657 -3.140 1.00 0.00 H new ATOM 0 HB2 PRO A 82 64.500 16.091 -5.810 1.00 0.00 H new ATOM 0 HB3 PRO A 82 65.649 16.539 -4.564 1.00 0.00 H new ATOM 0 HG2 PRO A 82 65.629 14.121 -6.343 1.00 0.00 H new ATOM 0 HG3 PRO A 82 66.987 15.097 -5.822 1.00 0.00 H new ATOM 0 HD2 PRO A 82 66.372 12.664 -4.667 1.00 0.00 H new ATOM 0 HD3 PRO A 82 67.217 13.932 -3.801 1.00 0.00 H new ATOM 461 N CYS A 83 62.823 13.166 -4.694 1.00 0.00 N ATOM 462 CA CYS A 83 61.622 12.568 -5.258 1.00 0.00 C ATOM 463 C CYS A 83 60.672 12.152 -4.143 1.00 0.00 C ATOM 464 O CYS A 83 59.624 11.559 -4.404 1.00 0.00 O ATOM 465 CB CYS A 83 61.989 11.361 -6.124 1.00 0.00 C ATOM 466 SG CYS A 83 62.939 10.178 -5.139 1.00 0.00 S ATOM 0 H CYS A 83 63.542 12.496 -4.419 1.00 0.00 H new ATOM 0 HA CYS A 83 61.122 13.306 -5.886 1.00 0.00 H new ATOM 0 HB2 CYS A 83 61.086 10.888 -6.508 1.00 0.00 H new ATOM 0 HB3 CYS A 83 62.572 11.683 -6.987 1.00 0.00 H new ATOM 471 N LEU A 84 61.054 12.473 -2.902 1.00 0.00 N ATOM 472 CA LEU A 84 60.248 12.150 -1.736 1.00 0.00 C ATOM 473 C LEU A 84 60.338 10.675 -1.394 1.00 0.00 C ATOM 474 O LEU A 84 59.350 10.037 -1.033 1.00 0.00 O ATOM 475 CB LEU A 84 58.787 12.549 -1.962 1.00 0.00 C ATOM 476 CG LEU A 84 58.194 13.146 -0.687 1.00 0.00 C ATOM 477 CD1 LEU A 84 56.748 13.567 -0.959 1.00 0.00 C ATOM 478 CD2 LEU A 84 58.217 12.096 0.427 1.00 0.00 C ATOM 0 H LEU A 84 61.924 12.960 -2.686 1.00 0.00 H new ATOM 0 HA LEU A 84 60.643 12.719 -0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 84 58.723 13.273 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 84 58.208 11.677 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 84 58.779 14.012 -0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 84 56.317 13.994 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 84 56.729 14.311 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 84 56.166 12.696 -1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 84 57.794 12.522 1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 84 57.628 11.230 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 84 59.245 11.787 0.615 1.00 0.00 H new ATOM 490 N HIS A 85 61.535 10.145 -1.493 1.00 0.00 N ATOM 491 CA HIS A 85 61.760 8.756 -1.166 1.00 0.00 C ATOM 492 C HIS A 85 63.003 8.627 -0.310 1.00 0.00 C ATOM 493 O HIS A 85 64.096 9.002 -0.726 1.00 0.00 O ATOM 494 CB HIS A 85 61.913 7.942 -2.437 1.00 0.00 C ATOM 495 CG HIS A 85 60.645 8.045 -3.241 1.00 0.00 C ATOM 496 ND1 HIS A 85 60.646 8.326 -4.596 1.00 0.00 N ATOM 497 CD2 HIS A 85 59.326 7.912 -2.888 1.00 0.00 C ATOM 498 CE1 HIS A 85 59.366 8.354 -5.007 1.00 0.00 C ATOM 499 NE2 HIS A 85 58.519 8.109 -4.004 1.00 0.00 N ATOM 0 H HIS A 85 62.366 10.653 -1.796 1.00 0.00 H new ATOM 0 HA HIS A 85 60.904 8.376 -0.608 1.00 0.00 H new ATOM 0 HB2 HIS A 85 62.759 8.308 -3.019 1.00 0.00 H new ATOM 0 HB3 HIS A 85 62.121 6.900 -2.194 1.00 0.00 H new ATOM 0 HD2 HIS A 85 58.968 7.688 -1.894 1.00 0.00 H new ATOM 0 HE1 HIS A 85 59.060 8.551 -6.024 1.00 0.00 H new ATOM 0 HE2 HIS A 85 57.501 8.074 -4.047 1.00 0.00 H new ATOM 507 N SER A 86 62.831 8.103 0.885 1.00 0.00 N ATOM 508 CA SER A 86 63.962 7.945 1.787 1.00 0.00 C ATOM 509 C SER A 86 64.661 6.620 1.515 1.00 0.00 C ATOM 510 O SER A 86 64.014 5.602 1.269 1.00 0.00 O ATOM 511 CB SER A 86 63.503 7.973 3.240 1.00 0.00 C ATOM 512 OG SER A 86 62.729 9.143 3.470 1.00 0.00 O ATOM 0 H SER A 86 61.936 7.782 1.254 1.00 0.00 H new ATOM 0 HA SER A 86 64.651 8.772 1.615 1.00 0.00 H new ATOM 0 HB2 SER A 86 62.913 7.084 3.463 1.00 0.00 H new ATOM 0 HB3 SER A 86 64.366 7.958 3.906 1.00 0.00 H new ATOM 0 HG SER A 86 61.776 8.915 3.445 1.00 0.00 H new ATOM 518 N ALA A 87 65.986 6.643 1.554 1.00 0.00 N ATOM 519 CA ALA A 87 66.764 5.435 1.298 1.00 0.00 C ATOM 520 C ALA A 87 68.082 5.461 2.071 1.00 0.00 C ATOM 521 O ALA A 87 68.479 6.490 2.604 1.00 0.00 O ATOM 522 CB ALA A 87 67.038 5.299 -0.200 1.00 0.00 C ATOM 0 H ALA A 87 66.541 7.474 1.758 1.00 0.00 H new ATOM 0 HA ALA A 87 66.186 4.576 1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.619 4.395 -0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 87 66.092 5.238 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 87 67.598 6.167 -0.548 1.00 0.00 H new ATOM 528 N CYS A 88 68.747 4.313 2.135 1.00 0.00 N ATOM 529 CA CYS A 88 70.012 4.199 2.854 1.00 0.00 C ATOM 530 C CYS A 88 71.110 4.990 2.144 1.00 0.00 C ATOM 531 O CYS A 88 71.071 5.157 0.927 1.00 0.00 O ATOM 532 CB CYS A 88 70.435 2.728 2.931 1.00 0.00 C ATOM 533 SG CYS A 88 68.993 1.678 3.246 1.00 0.00 S ATOM 0 H CYS A 88 68.432 3.447 1.698 1.00 0.00 H new ATOM 0 HA CYS A 88 69.871 4.602 3.857 1.00 0.00 H new ATOM 0 HB2 CYS A 88 70.914 2.430 1.998 1.00 0.00 H new ATOM 0 HB3 CYS A 88 71.171 2.595 3.724 1.00 0.00 H new ATOM 538 N SER A 89 72.100 5.464 2.904 1.00 0.00 N ATOM 539 CA SER A 89 73.196 6.221 2.305 1.00 0.00 C ATOM 540 C SER A 89 73.931 5.363 1.280 1.00 0.00 C ATOM 541 O SER A 89 74.200 5.795 0.157 1.00 0.00 O ATOM 542 CB SER A 89 74.182 6.662 3.388 1.00 0.00 C ATOM 543 OG SER A 89 75.277 7.331 2.778 1.00 0.00 O ATOM 0 H SER A 89 72.164 5.340 3.914 1.00 0.00 H new ATOM 0 HA SER A 89 72.780 7.099 1.811 1.00 0.00 H new ATOM 0 HB2 SER A 89 73.687 7.323 4.100 1.00 0.00 H new ATOM 0 HB3 SER A 89 74.536 5.797 3.949 1.00 0.00 H new ATOM 0 HG SER A 89 75.983 7.475 3.442 1.00 0.00 H new ATOM 549 N ALA A 90 74.239 4.141 1.680 1.00 0.00 N ATOM 550 CA ALA A 90 74.931 3.203 0.806 1.00 0.00 C ATOM 551 C ALA A 90 74.070 2.883 -0.404 1.00 0.00 C ATOM 552 O ALA A 90 74.568 2.787 -1.519 1.00 0.00 O ATOM 553 CB ALA A 90 75.263 1.916 1.561 1.00 0.00 C ATOM 0 H ALA A 90 74.021 3.773 2.606 1.00 0.00 H new ATOM 0 HA ALA A 90 75.860 3.664 0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 90 75.780 1.226 0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 90 75.905 2.148 2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 90 74.342 1.455 1.917 1.00 0.00 H new ATOM 559 N CYS A 91 72.768 2.728 -0.176 1.00 0.00 N ATOM 560 CA CYS A 91 71.843 2.433 -1.255 1.00 0.00 C ATOM 561 C CYS A 91 71.697 3.650 -2.158 1.00 0.00 C ATOM 562 O CYS A 91 71.396 3.526 -3.346 1.00 0.00 O ATOM 563 CB CYS A 91 70.488 2.020 -0.686 1.00 0.00 C ATOM 564 SG CYS A 91 70.654 0.394 0.089 1.00 0.00 S ATOM 0 H CYS A 91 72.336 2.802 0.745 1.00 0.00 H new ATOM 0 HA CYS A 91 72.235 1.605 -1.846 1.00 0.00 H new ATOM 0 HB2 CYS A 91 70.146 2.753 0.044 1.00 0.00 H new ATOM 0 HB3 CYS A 91 69.740 1.986 -1.478 1.00 0.00 H new ATOM 569 N LEU A 92 71.912 4.824 -1.580 1.00 0.00 N ATOM 570 CA LEU A 92 71.815 6.069 -2.317 1.00 0.00 C ATOM 571 C LEU A 92 72.937 6.208 -3.350 1.00 0.00 C ATOM 572 O LEU A 92 72.720 6.730 -4.452 1.00 0.00 O ATOM 573 CB LEU A 92 71.876 7.220 -1.322 1.00 0.00 C ATOM 574 CG LEU A 92 70.546 7.969 -1.344 1.00 0.00 C ATOM 575 CD1 LEU A 92 69.536 7.236 -0.463 1.00 0.00 C ATOM 576 CD2 LEU A 92 70.749 9.389 -0.824 1.00 0.00 C ATOM 0 H LEU A 92 72.156 4.936 -0.596 1.00 0.00 H new ATOM 0 HA LEU A 92 70.872 6.082 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 92 72.078 6.841 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 92 72.692 7.895 -1.578 1.00 0.00 H new ATOM 0 HG LEU A 92 70.170 8.013 -2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 92 68.586 7.770 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 92 69.390 6.224 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 92 69.911 7.190 0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 92 69.798 9.922 -0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 92 71.126 9.352 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 92 71.468 9.909 -1.457 1.00 0.00 H new ATOM 588 N GLY A 93 74.135 5.756 -2.991 1.00 0.00 N ATOM 589 CA GLY A 93 75.276 5.859 -3.903 1.00 0.00 C ATOM 590 C GLY A 93 74.917 5.339 -5.293 1.00 0.00 C ATOM 591 O GLY A 93 74.945 6.089 -6.267 1.00 0.00 O ATOM 0 H GLY A 93 74.342 5.322 -2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 93 75.598 6.898 -3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 93 76.117 5.291 -3.505 1.00 0.00 H new ATOM 595 N PRO A 94 74.561 4.087 -5.397 1.00 0.00 N ATOM 596 CA PRO A 94 74.159 3.461 -6.693 1.00 0.00 C ATOM 597 C PRO A 94 73.006 4.213 -7.348 1.00 0.00 C ATOM 598 O PRO A 94 72.878 4.229 -8.573 1.00 0.00 O ATOM 599 CB PRO A 94 73.724 2.046 -6.295 1.00 0.00 C ATOM 600 CG PRO A 94 74.433 1.776 -5.013 1.00 0.00 C ATOM 601 CD PRO A 94 74.513 3.118 -4.295 1.00 0.00 C ATOM 0 HA PRO A 94 74.967 3.472 -7.424 1.00 0.00 H new ATOM 0 HB2 PRO A 94 72.643 1.985 -6.170 1.00 0.00 H new ATOM 0 HB3 PRO A 94 73.998 1.318 -7.059 1.00 0.00 H new ATOM 0 HG2 PRO A 94 73.893 1.043 -4.414 1.00 0.00 H new ATOM 0 HG3 PRO A 94 75.428 1.369 -5.194 1.00 0.00 H new ATOM 0 HD2 PRO A 94 73.648 3.282 -3.652 1.00 0.00 H new ATOM 0 HD3 PRO A 94 75.398 3.184 -3.662 1.00 0.00 H new ATOM 609 N ALA A 95 72.167 4.832 -6.523 1.00 0.00 N ATOM 610 CA ALA A 95 71.025 5.577 -7.037 1.00 0.00 C ATOM 611 C ALA A 95 71.501 6.711 -7.946 1.00 0.00 C ATOM 612 O ALA A 95 70.911 6.963 -8.997 1.00 0.00 O ATOM 613 CB ALA A 95 70.190 6.134 -5.872 1.00 0.00 C ATOM 0 H ALA A 95 72.255 4.833 -5.507 1.00 0.00 H new ATOM 0 HA ALA A 95 70.398 4.904 -7.623 1.00 0.00 H new ATOM 0 HB1 ALA A 95 69.339 6.689 -6.267 1.00 0.00 H new ATOM 0 HB2 ALA A 95 69.831 5.310 -5.255 1.00 0.00 H new ATOM 0 HB3 ALA A 95 70.807 6.798 -5.267 1.00 0.00 H new ATOM 619 N ALA A 96 72.580 7.380 -7.548 1.00 0.00 N ATOM 620 CA ALA A 96 73.122 8.471 -8.359 1.00 0.00 C ATOM 621 C ALA A 96 74.117 7.918 -9.394 1.00 0.00 C ATOM 622 O ALA A 96 75.137 7.342 -9.016 1.00 0.00 O ATOM 623 CB ALA A 96 73.835 9.491 -7.468 1.00 0.00 C ATOM 0 H ALA A 96 73.090 7.192 -6.685 1.00 0.00 H new ATOM 0 HA ALA A 96 72.295 8.959 -8.875 1.00 0.00 H new ATOM 0 HB1 ALA A 96 74.233 10.297 -8.084 1.00 0.00 H new ATOM 0 HB2 ALA A 96 73.128 9.901 -6.747 1.00 0.00 H new ATOM 0 HB3 ALA A 96 74.652 9.002 -6.937 1.00 0.00 H new ATOM 629 N PRO A 97 73.859 8.069 -10.679 1.00 0.00 N ATOM 630 CA PRO A 97 74.784 7.554 -11.739 1.00 0.00 C ATOM 631 C PRO A 97 76.208 8.072 -11.563 1.00 0.00 C ATOM 632 O PRO A 97 76.418 9.248 -11.271 1.00 0.00 O ATOM 633 CB PRO A 97 74.181 8.098 -13.037 1.00 0.00 C ATOM 634 CG PRO A 97 72.739 8.306 -12.735 1.00 0.00 C ATOM 635 CD PRO A 97 72.680 8.729 -11.273 1.00 0.00 C ATOM 0 HA PRO A 97 74.865 6.467 -11.713 1.00 0.00 H new ATOM 0 HB2 PRO A 97 74.660 9.031 -13.334 1.00 0.00 H new ATOM 0 HB3 PRO A 97 74.315 7.395 -13.859 1.00 0.00 H new ATOM 0 HG2 PRO A 97 72.310 9.072 -13.382 1.00 0.00 H new ATOM 0 HG3 PRO A 97 72.169 7.392 -12.901 1.00 0.00 H new ATOM 0 HD2 PRO A 97 72.729 9.813 -11.166 1.00 0.00 H new ATOM 0 HD3 PRO A 97 71.755 8.403 -10.797 1.00 0.00 H new ATOM 643 N ALA A 98 77.182 7.188 -11.750 1.00 0.00 N ATOM 644 CA ALA A 98 78.582 7.576 -11.616 1.00 0.00 C ATOM 645 C ALA A 98 79.184 7.892 -12.982 1.00 0.00 C ATOM 646 O ALA A 98 80.126 8.678 -13.089 1.00 0.00 O ATOM 647 CB ALA A 98 79.377 6.449 -10.956 1.00 0.00 C ATOM 0 H ALA A 98 77.031 6.209 -11.992 1.00 0.00 H new ATOM 0 HA ALA A 98 78.633 8.469 -10.993 1.00 0.00 H new ATOM 0 HB1 ALA A 98 80.421 6.748 -10.860 1.00 0.00 H new ATOM 0 HB2 ALA A 98 78.966 6.244 -9.967 1.00 0.00 H new ATOM 0 HB3 ALA A 98 79.312 5.550 -11.569 1.00 0.00 H new ATOM 653 N ALA A 99 78.634 7.273 -14.023 1.00 0.00 N ATOM 654 CA ALA A 99 79.125 7.492 -15.381 1.00 0.00 C ATOM 655 C ALA A 99 78.059 7.111 -16.404 1.00 0.00 C ATOM 656 O ALA A 99 77.164 6.317 -16.114 1.00 0.00 O ATOM 657 CB ALA A 99 80.387 6.662 -15.620 1.00 0.00 C ATOM 0 H ALA A 99 77.853 6.620 -13.954 1.00 0.00 H new ATOM 0 HA ALA A 99 79.360 8.550 -15.497 1.00 0.00 H new ATOM 0 HB1 ALA A 99 80.747 6.831 -16.635 1.00 0.00 H new ATOM 0 HB2 ALA A 99 81.157 6.958 -14.908 1.00 0.00 H new ATOM 0 HB3 ALA A 99 80.158 5.605 -15.488 1.00 0.00 H new ATOM 663 N ALA A 100 78.161 7.678 -17.602 1.00 0.00 N ATOM 664 CA ALA A 100 77.199 7.386 -18.660 1.00 0.00 C ATOM 665 C ALA A 100 77.730 6.294 -19.583 1.00 0.00 C ATOM 666 O ALA A 100 78.285 6.581 -20.644 1.00 0.00 O ATOM 667 CB ALA A 100 76.919 8.651 -19.473 1.00 0.00 C ATOM 0 H ALA A 100 78.894 8.337 -17.864 1.00 0.00 H new ATOM 0 HA ALA A 100 76.275 7.037 -18.198 1.00 0.00 H new ATOM 0 HB1 ALA A 100 76.200 8.426 -20.261 1.00 0.00 H new ATOM 0 HB2 ALA A 100 76.511 9.421 -18.819 1.00 0.00 H new ATOM 0 HB3 ALA A 100 77.847 9.009 -19.920 1.00 0.00 H new ATOM 673 N ASN A 101 77.558 5.040 -19.174 1.00 0.00 N ATOM 674 CA ASN A 101 78.026 3.914 -19.976 1.00 0.00 C ATOM 675 C ASN A 101 77.308 3.873 -21.321 1.00 0.00 C ATOM 676 O ASN A 101 77.925 3.630 -22.358 1.00 0.00 O ATOM 677 CB ASN A 101 77.784 2.603 -19.225 1.00 0.00 C ATOM 678 CG ASN A 101 78.533 1.464 -19.909 1.00 0.00 C ATOM 679 OD1 ASN A 101 79.622 1.670 -20.444 1.00 0.00 O ATOM 680 ND2 ASN A 101 78.013 0.268 -19.923 1.00 0.00 N ATOM 0 H ASN A 101 77.102 4.779 -18.300 1.00 0.00 H new ATOM 0 HA ASN A 101 79.094 4.040 -20.154 1.00 0.00 H new ATOM 0 HB2 ASN A 101 78.117 2.699 -18.192 1.00 0.00 H new ATOM 0 HB3 ASN A 101 76.717 2.382 -19.197 1.00 0.00 H new ATOM 0 HD21 ASN A 101 78.509 -0.498 -20.378 1.00 0.00 H new ATOM 0 HD22 ASN A 101 77.110 0.099 -19.479 1.00 0.00 H new ATOM 687 N SER A 102 76.000 4.113 -21.297 1.00 0.00 N ATOM 688 CA SER A 102 75.207 4.101 -22.521 1.00 0.00 C ATOM 689 C SER A 102 75.532 5.316 -23.385 1.00 0.00 C ATOM 690 O SER A 102 75.866 6.383 -22.873 1.00 0.00 O ATOM 691 CB SER A 102 73.717 4.099 -22.177 1.00 0.00 C ATOM 692 OG SER A 102 73.396 2.899 -21.486 1.00 0.00 O ATOM 0 H SER A 102 75.470 4.317 -20.449 1.00 0.00 H new ATOM 0 HA SER A 102 75.452 3.198 -23.081 1.00 0.00 H new ATOM 0 HB2 SER A 102 73.473 4.964 -21.560 1.00 0.00 H new ATOM 0 HB3 SER A 102 73.122 4.179 -23.087 1.00 0.00 H new ATOM 0 HG SER A 102 72.442 2.895 -21.263 1.00 0.00 H new ATOM 698 N SER A 103 75.429 5.146 -24.700 1.00 0.00 N ATOM 699 CA SER A 103 75.714 6.236 -25.627 1.00 0.00 C ATOM 700 C SER A 103 74.622 6.332 -26.689 1.00 0.00 C ATOM 701 O SER A 103 74.284 5.341 -27.335 1.00 0.00 O ATOM 702 CB SER A 103 77.065 6.008 -26.302 1.00 0.00 C ATOM 703 OG SER A 103 77.300 7.045 -27.245 1.00 0.00 O ATOM 0 H SER A 103 75.152 4.271 -25.145 1.00 0.00 H new ATOM 0 HA SER A 103 75.743 7.169 -25.065 1.00 0.00 H new ATOM 0 HB2 SER A 103 77.859 5.993 -25.556 1.00 0.00 H new ATOM 0 HB3 SER A 103 77.077 5.038 -26.800 1.00 0.00 H new ATOM 0 HG SER A 103 78.167 6.902 -27.679 1.00 0.00 H new ATOM 709 N GLY A 104 74.072 7.530 -26.860 1.00 0.00 N ATOM 710 CA GLY A 104 73.016 7.737 -27.845 1.00 0.00 C ATOM 711 C GLY A 104 71.663 7.269 -27.308 1.00 0.00 C ATOM 712 O GLY A 104 70.666 7.281 -28.030 1.00 0.00 O ATOM 0 H GLY A 104 74.336 8.364 -26.336 1.00 0.00 H new ATOM 0 HA2 GLY A 104 72.961 8.794 -28.107 1.00 0.00 H new ATOM 0 HA3 GLY A 104 73.256 7.194 -28.759 1.00 0.00 H new ATOM 716 N ASP A 105 71.633 6.848 -26.045 1.00 0.00 N ATOM 717 CA ASP A 105 70.400 6.371 -25.435 1.00 0.00 C ATOM 718 C ASP A 105 69.809 7.434 -24.515 1.00 0.00 C ATOM 719 O ASP A 105 70.537 8.231 -23.924 1.00 0.00 O ATOM 720 CB ASP A 105 70.681 5.097 -24.637 1.00 0.00 C ATOM 721 CG ASP A 105 70.997 3.948 -25.589 1.00 0.00 C ATOM 722 OD1 ASP A 105 70.732 4.093 -26.771 1.00 0.00 O ATOM 723 OD2 ASP A 105 71.503 2.941 -25.123 1.00 0.00 O ATOM 0 H ASP A 105 72.446 6.829 -25.429 1.00 0.00 H new ATOM 0 HA ASP A 105 69.680 6.157 -26.225 1.00 0.00 H new ATOM 0 HB2 ASP A 105 71.518 5.260 -23.959 1.00 0.00 H new ATOM 0 HB3 ASP A 105 69.817 4.844 -24.022 1.00 0.00 H new ATOM 728 N GLY A 106 68.485 7.440 -24.396 1.00 0.00 N ATOM 729 CA GLY A 106 67.811 8.413 -23.543 1.00 0.00 C ATOM 730 C GLY A 106 68.182 8.195 -22.081 1.00 0.00 C ATOM 731 O GLY A 106 68.513 7.080 -21.674 1.00 0.00 O ATOM 0 H GLY A 106 67.862 6.789 -24.874 1.00 0.00 H new ATOM 0 HA2 GLY A 106 68.086 9.423 -23.847 1.00 0.00 H new ATOM 0 HA3 GLY A 106 66.731 8.326 -23.666 1.00 0.00 H new ATOM 735 N GLY A 107 68.134 9.266 -21.297 1.00 0.00 N ATOM 736 CA GLY A 107 68.477 9.178 -19.881 1.00 0.00 C ATOM 737 C GLY A 107 69.990 9.105 -19.688 1.00 0.00 C ATOM 738 O GLY A 107 70.470 8.698 -18.631 1.00 0.00 O ATOM 0 H GLY A 107 67.864 10.197 -21.613 1.00 0.00 H new ATOM 0 HA2 GLY A 107 68.081 10.045 -19.353 1.00 0.00 H new ATOM 0 HA3 GLY A 107 68.008 8.297 -19.444 1.00 0.00 H new ATOM 742 N ALA A 108 70.738 9.501 -20.717 1.00 0.00 N ATOM 743 CA ALA A 108 72.194 9.474 -20.647 1.00 0.00 C ATOM 744 C ALA A 108 72.694 10.382 -19.530 1.00 0.00 C ATOM 745 O ALA A 108 73.649 10.049 -18.828 1.00 0.00 O ATOM 746 CB ALA A 108 72.790 9.929 -21.981 1.00 0.00 C ATOM 0 H ALA A 108 70.361 9.841 -21.602 1.00 0.00 H new ATOM 0 HA ALA A 108 72.509 8.452 -20.438 1.00 0.00 H new ATOM 0 HB1 ALA A 108 73.878 9.906 -21.920 1.00 0.00 H new ATOM 0 HB2 ALA A 108 72.457 9.261 -22.775 1.00 0.00 H new ATOM 0 HB3 ALA A 108 72.460 10.945 -22.199 1.00 0.00 H new ATOM 752 N ALA A 109 72.045 11.531 -19.372 1.00 0.00 N ATOM 753 CA ALA A 109 72.440 12.478 -18.337 1.00 0.00 C ATOM 754 C ALA A 109 72.376 11.823 -16.962 1.00 0.00 C ATOM 755 O ALA A 109 71.448 11.072 -16.662 1.00 0.00 O ATOM 756 CB ALA A 109 71.518 13.698 -18.365 1.00 0.00 C ATOM 0 H ALA A 109 71.252 11.826 -19.941 1.00 0.00 H new ATOM 0 HA ALA A 109 73.465 12.793 -18.531 1.00 0.00 H new ATOM 0 HB1 ALA A 109 71.820 14.400 -17.588 1.00 0.00 H new ATOM 0 HB2 ALA A 109 71.585 14.183 -19.339 1.00 0.00 H new ATOM 0 HB3 ALA A 109 70.490 13.381 -18.188 1.00 0.00 H new ATOM 762 N GLY A 110 73.373 12.111 -16.134 1.00 0.00 N ATOM 763 CA GLY A 110 73.432 11.544 -14.792 1.00 0.00 C ATOM 764 C GLY A 110 74.697 11.995 -14.077 1.00 0.00 C ATOM 765 O GLY A 110 75.561 12.639 -14.673 1.00 0.00 O ATOM 0 H GLY A 110 74.149 12.731 -16.367 1.00 0.00 H new ATOM 0 HA2 GLY A 110 72.556 11.852 -14.222 1.00 0.00 H new ATOM 0 HA3 GLY A 110 73.408 10.456 -14.849 1.00 0.00 H new ATOM 769 N ASP A 111 74.801 11.643 -12.801 1.00 0.00 N ATOM 770 CA ASP A 111 75.977 12.000 -12.005 1.00 0.00 C ATOM 771 C ASP A 111 76.052 13.505 -11.760 1.00 0.00 C ATOM 772 O ASP A 111 76.751 14.226 -12.471 1.00 0.00 O ATOM 773 CB ASP A 111 77.254 11.532 -12.715 1.00 0.00 C ATOM 774 CG ASP A 111 78.415 11.477 -11.726 1.00 0.00 C ATOM 775 OD1 ASP A 111 78.161 11.561 -10.537 1.00 0.00 O ATOM 776 OD2 ASP A 111 79.544 11.353 -12.175 1.00 0.00 O ATOM 0 H ASP A 111 74.091 11.114 -12.294 1.00 0.00 H new ATOM 0 HA ASP A 111 75.888 11.501 -11.040 1.00 0.00 H new ATOM 0 HB2 ASP A 111 77.094 10.548 -13.155 1.00 0.00 H new ATOM 0 HB3 ASP A 111 77.495 12.212 -13.532 1.00 0.00 H new ATOM 781 N GLY A 112 75.317 13.972 -10.754 1.00 0.00 N ATOM 782 CA GLY A 112 75.292 15.389 -10.425 1.00 0.00 C ATOM 783 C GLY A 112 73.973 16.008 -10.843 1.00 0.00 C ATOM 784 O GLY A 112 73.626 17.110 -10.418 1.00 0.00 O ATOM 0 H GLY A 112 74.733 13.389 -10.155 1.00 0.00 H new ATOM 0 HA2 GLY A 112 75.439 15.522 -9.353 1.00 0.00 H new ATOM 0 HA3 GLY A 112 76.115 15.899 -10.926 1.00 0.00 H new ATOM 788 N THR A 113 73.237 15.283 -11.670 1.00 0.00 N ATOM 789 CA THR A 113 71.951 15.755 -12.133 1.00 0.00 C ATOM 790 C THR A 113 70.836 14.823 -11.649 1.00 0.00 C ATOM 791 O THR A 113 70.669 14.634 -10.449 1.00 0.00 O ATOM 792 CB THR A 113 71.990 15.911 -13.664 1.00 0.00 C ATOM 793 OG1 THR A 113 70.692 16.214 -14.152 1.00 0.00 O ATOM 794 CG2 THR A 113 72.507 14.620 -14.309 1.00 0.00 C ATOM 0 H THR A 113 73.511 14.369 -12.031 1.00 0.00 H new ATOM 0 HA THR A 113 71.731 16.736 -11.711 1.00 0.00 H new ATOM 0 HB THR A 113 72.664 16.728 -13.921 1.00 0.00 H new ATOM 0 HG1 THR A 113 70.724 16.314 -15.126 1.00 0.00 H new ATOM 0 HG21 THR A 113 72.531 14.739 -15.392 1.00 0.00 H new ATOM 0 HG22 THR A 113 73.512 14.408 -13.944 1.00 0.00 H new ATOM 0 HG23 THR A 113 71.845 13.793 -14.050 1.00 0.00 H new ATOM 802 N VAL A 114 70.071 14.251 -12.563 1.00 0.00 N ATOM 803 CA VAL A 114 68.988 13.367 -12.187 1.00 0.00 C ATOM 804 C VAL A 114 69.527 12.143 -11.464 1.00 0.00 C ATOM 805 O VAL A 114 70.594 11.632 -11.800 1.00 0.00 O ATOM 806 CB VAL A 114 68.236 12.929 -13.441 1.00 0.00 C ATOM 807 CG1 VAL A 114 67.984 14.136 -14.346 1.00 0.00 C ATOM 808 CG2 VAL A 114 69.077 11.899 -14.193 1.00 0.00 C ATOM 0 H VAL A 114 70.182 14.384 -13.568 1.00 0.00 H new ATOM 0 HA VAL A 114 68.313 13.900 -11.517 1.00 0.00 H new ATOM 0 HB VAL A 114 67.279 12.491 -13.155 1.00 0.00 H new ATOM 0 HG11 VAL A 114 67.447 13.816 -15.239 1.00 0.00 H new ATOM 0 HG12 VAL A 114 67.388 14.875 -13.810 1.00 0.00 H new ATOM 0 HG13 VAL A 114 68.937 14.579 -14.635 1.00 0.00 H new ATOM 0 HG21 VAL A 114 68.546 11.581 -15.090 1.00 0.00 H new ATOM 0 HG22 VAL A 114 70.031 12.344 -14.474 1.00 0.00 H new ATOM 0 HG23 VAL A 114 69.254 11.036 -13.551 1.00 0.00 H new ATOM 818 N VAL A 115 68.778 11.677 -10.472 1.00 0.00 N ATOM 819 CA VAL A 115 69.186 10.510 -9.705 1.00 0.00 C ATOM 820 C VAL A 115 68.164 9.393 -9.829 1.00 0.00 C ATOM 821 O VAL A 115 66.965 9.605 -9.647 1.00 0.00 O ATOM 822 CB VAL A 115 69.355 10.879 -8.236 1.00 0.00 C ATOM 823 CG1 VAL A 115 69.701 9.628 -7.421 1.00 0.00 C ATOM 824 CG2 VAL A 115 70.480 11.907 -8.105 1.00 0.00 C ATOM 0 H VAL A 115 67.890 12.087 -10.182 1.00 0.00 H new ATOM 0 HA VAL A 115 70.138 10.161 -10.106 1.00 0.00 H new ATOM 0 HB VAL A 115 68.425 11.302 -7.857 1.00 0.00 H new ATOM 0 HG11 VAL A 115 69.820 9.899 -6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 115 68.898 8.897 -7.518 1.00 0.00 H new ATOM 0 HG13 VAL A 115 70.631 9.197 -7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 115 70.607 12.176 -7.056 1.00 0.00 H new ATOM 0 HG22 VAL A 115 71.408 11.481 -8.485 1.00 0.00 H new ATOM 0 HG23 VAL A 115 70.228 12.798 -8.680 1.00 0.00 H new ATOM 834 N ASP A 116 68.651 8.201 -10.127 1.00 0.00 N ATOM 835 CA ASP A 116 67.777 7.047 -10.261 1.00 0.00 C ATOM 836 C ASP A 116 67.224 6.648 -8.905 1.00 0.00 C ATOM 837 O ASP A 116 67.917 6.718 -7.891 1.00 0.00 O ATOM 838 CB ASP A 116 68.524 5.871 -10.888 1.00 0.00 C ATOM 839 CG ASP A 116 67.913 4.558 -10.418 1.00 0.00 C ATOM 840 OD1 ASP A 116 66.824 4.241 -10.868 1.00 0.00 O ATOM 841 OD2 ASP A 116 68.541 3.890 -9.613 1.00 0.00 O ATOM 0 H ASP A 116 69.641 8.007 -10.280 1.00 0.00 H new ATOM 0 HA ASP A 116 66.950 7.319 -10.917 1.00 0.00 H new ATOM 0 HB2 ASP A 116 68.475 5.936 -11.975 1.00 0.00 H new ATOM 0 HB3 ASP A 116 69.578 5.910 -10.613 1.00 0.00 H new ATOM 846 N CYS A 117 65.965 6.245 -8.897 1.00 0.00 N ATOM 847 CA CYS A 117 65.311 5.854 -7.670 1.00 0.00 C ATOM 848 C CYS A 117 64.433 4.628 -7.928 1.00 0.00 C ATOM 849 O CYS A 117 63.677 4.610 -8.892 1.00 0.00 O ATOM 850 CB CYS A 117 64.439 7.010 -7.194 1.00 0.00 C ATOM 851 SG CYS A 117 63.886 6.692 -5.501 1.00 0.00 S ATOM 0 H CYS A 117 65.379 6.182 -9.729 1.00 0.00 H new ATOM 0 HA CYS A 117 66.055 5.609 -6.912 1.00 0.00 H new ATOM 0 HB2 CYS A 117 65.000 7.944 -7.235 1.00 0.00 H new ATOM 0 HB3 CYS A 117 63.579 7.126 -7.853 1.00 0.00 H new ATOM 856 N PRO A 118 64.493 3.612 -7.112 1.00 0.00 N ATOM 857 CA PRO A 118 63.656 2.398 -7.322 1.00 0.00 C ATOM 858 C PRO A 118 62.158 2.688 -7.229 1.00 0.00 C ATOM 859 O PRO A 118 61.337 1.823 -7.533 1.00 0.00 O ATOM 860 CB PRO A 118 64.097 1.445 -6.212 1.00 0.00 C ATOM 861 CG PRO A 118 64.713 2.316 -5.168 1.00 0.00 C ATOM 862 CD PRO A 118 65.344 3.483 -5.917 1.00 0.00 C ATOM 0 HA PRO A 118 63.795 1.987 -8.322 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.250 0.889 -5.811 1.00 0.00 H new ATOM 0 HB3 PRO A 118 64.812 0.711 -6.584 1.00 0.00 H new ATOM 0 HG2 PRO A 118 63.963 2.667 -4.459 1.00 0.00 H new ATOM 0 HG3 PRO A 118 65.462 1.769 -4.595 1.00 0.00 H new ATOM 0 HD2 PRO A 118 65.341 4.395 -5.319 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.382 3.279 -6.181 1.00 0.00 H new ATOM 870 N VAL A 119 61.805 3.891 -6.790 1.00 0.00 N ATOM 871 CA VAL A 119 60.398 4.250 -6.648 1.00 0.00 C ATOM 872 C VAL A 119 59.879 4.973 -7.890 1.00 0.00 C ATOM 873 O VAL A 119 58.956 4.498 -8.552 1.00 0.00 O ATOM 874 CB VAL A 119 60.225 5.150 -5.424 1.00 0.00 C ATOM 875 CG1 VAL A 119 58.740 5.257 -5.063 1.00 0.00 C ATOM 876 CG2 VAL A 119 61.002 4.558 -4.246 1.00 0.00 C ATOM 0 H VAL A 119 62.463 4.625 -6.529 1.00 0.00 H new ATOM 0 HA VAL A 119 59.823 3.332 -6.525 1.00 0.00 H new ATOM 0 HB VAL A 119 60.608 6.145 -5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 119 58.623 5.899 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 119 58.191 5.683 -5.903 1.00 0.00 H new ATOM 0 HG13 VAL A 119 58.348 4.265 -4.839 1.00 0.00 H new ATOM 0 HG21 VAL A 119 60.881 5.198 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 119 60.621 3.562 -4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 119 62.059 4.492 -4.504 1.00 0.00 H new ATOM 886 N CYS A 120 60.473 6.123 -8.200 1.00 0.00 N ATOM 887 CA CYS A 120 60.052 6.895 -9.366 1.00 0.00 C ATOM 888 C CYS A 120 60.979 6.644 -10.551 1.00 0.00 C ATOM 889 O CYS A 120 60.568 6.753 -11.707 1.00 0.00 O ATOM 890 CB CYS A 120 60.038 8.387 -9.024 1.00 0.00 C ATOM 891 SG CYS A 120 61.634 8.861 -8.308 1.00 0.00 S ATOM 0 H CYS A 120 61.238 6.537 -7.667 1.00 0.00 H new ATOM 0 HA CYS A 120 59.047 6.576 -9.643 1.00 0.00 H new ATOM 0 HB2 CYS A 120 59.842 8.974 -9.921 1.00 0.00 H new ATOM 0 HB3 CYS A 120 59.234 8.602 -8.320 1.00 0.00 H new ATOM 896 N LYS A 121 62.225 6.293 -10.256 1.00 0.00 N ATOM 897 CA LYS A 121 63.202 6.012 -11.305 1.00 0.00 C ATOM 898 C LYS A 121 63.366 7.211 -12.237 1.00 0.00 C ATOM 899 O LYS A 121 63.648 7.056 -13.426 1.00 0.00 O ATOM 900 CB LYS A 121 62.753 4.783 -12.093 1.00 0.00 C ATOM 901 CG LYS A 121 63.406 3.522 -11.518 1.00 0.00 C ATOM 902 CD LYS A 121 62.391 2.790 -10.640 1.00 0.00 C ATOM 903 CE LYS A 121 61.350 2.131 -11.538 1.00 0.00 C ATOM 904 NZ LYS A 121 61.753 0.725 -11.830 1.00 0.00 N ATOM 0 H LYS A 121 62.583 6.196 -9.306 1.00 0.00 H new ATOM 0 HA LYS A 121 64.170 5.817 -10.843 1.00 0.00 H new ATOM 0 HB2 LYS A 121 61.668 4.691 -12.051 1.00 0.00 H new ATOM 0 HB3 LYS A 121 63.023 4.896 -13.143 1.00 0.00 H new ATOM 0 HG2 LYS A 121 63.743 2.872 -12.325 1.00 0.00 H new ATOM 0 HG3 LYS A 121 64.287 3.788 -10.933 1.00 0.00 H new ATOM 0 HD2 LYS A 121 62.892 2.039 -10.029 1.00 0.00 H new ATOM 0 HD3 LYS A 121 61.911 3.489 -9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 121 60.375 2.146 -11.051 1.00 0.00 H new ATOM 0 HE3 LYS A 121 61.251 2.691 -12.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 61.040 0.280 -12.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 62.675 0.721 -12.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 61.825 0.193 -10.940 1.00 0.00 H new ATOM 918 N GLN A 122 63.201 8.409 -11.686 1.00 0.00 N ATOM 919 CA GLN A 122 63.348 9.624 -12.479 1.00 0.00 C ATOM 920 C GLN A 122 63.399 10.853 -11.577 1.00 0.00 C ATOM 921 O GLN A 122 62.618 10.973 -10.634 1.00 0.00 O ATOM 922 CB GLN A 122 62.183 9.757 -13.457 1.00 0.00 C ATOM 923 CG GLN A 122 62.428 10.949 -14.385 1.00 0.00 C ATOM 924 CD GLN A 122 61.325 11.013 -15.438 1.00 0.00 C ATOM 925 OE1 GLN A 122 60.451 10.147 -15.471 1.00 0.00 O ATOM 926 NE2 GLN A 122 61.311 11.990 -16.301 1.00 0.00 N ATOM 0 H GLN A 122 62.968 8.564 -10.705 1.00 0.00 H new ATOM 0 HA GLN A 122 64.283 9.557 -13.036 1.00 0.00 H new ATOM 0 HB2 GLN A 122 62.079 8.843 -14.042 1.00 0.00 H new ATOM 0 HB3 GLN A 122 61.250 9.894 -12.911 1.00 0.00 H new ATOM 0 HG2 GLN A 122 62.448 11.874 -13.808 1.00 0.00 H new ATOM 0 HG3 GLN A 122 63.401 10.853 -14.868 1.00 0.00 H new ATOM 0 HE21 GLN A 122 62.036 12.707 -16.272 1.00 0.00 H new ATOM 0 HE22 GLN A 122 60.575 12.038 -17.005 1.00 0.00 H new ATOM 935 N GLN A 123 64.314 11.767 -11.880 1.00 0.00 N ATOM 936 CA GLN A 123 64.447 12.990 -11.096 1.00 0.00 C ATOM 937 C GLN A 123 64.769 14.168 -11.998 1.00 0.00 C ATOM 938 O GLN A 123 65.742 14.138 -12.733 1.00 0.00 O ATOM 939 CB GLN A 123 65.545 12.824 -10.043 1.00 0.00 C ATOM 940 CG GLN A 123 64.915 12.847 -8.650 1.00 0.00 C ATOM 941 CD GLN A 123 64.259 14.203 -8.415 1.00 0.00 C ATOM 942 OE1 GLN A 123 64.561 15.170 -9.112 1.00 0.00 O ATOM 943 NE2 GLN A 123 63.371 14.329 -7.470 1.00 0.00 N ATOM 0 H GLN A 123 64.970 11.686 -12.657 1.00 0.00 H new ATOM 0 HA GLN A 123 63.499 13.183 -10.594 1.00 0.00 H new ATOM 0 HB2 GLN A 123 66.076 11.885 -10.199 1.00 0.00 H new ATOM 0 HB3 GLN A 123 66.279 13.625 -10.136 1.00 0.00 H new ATOM 0 HG2 GLN A 123 64.175 12.052 -8.560 1.00 0.00 H new ATOM 0 HG3 GLN A 123 65.676 12.662 -7.891 1.00 0.00 H new ATOM 0 HE21 GLN A 123 63.122 13.525 -6.893 1.00 0.00 H new ATOM 0 HE22 GLN A 123 62.924 15.231 -7.307 1.00 0.00 H new ATOM 952 N CYS A 124 63.943 15.206 -11.946 1.00 0.00 N ATOM 953 CA CYS A 124 64.172 16.377 -12.783 1.00 0.00 C ATOM 954 C CYS A 124 65.509 17.029 -12.441 1.00 0.00 C ATOM 955 O CYS A 124 66.274 17.401 -13.332 1.00 0.00 O ATOM 956 CB CYS A 124 63.044 17.391 -12.577 1.00 0.00 C ATOM 957 SG CYS A 124 61.515 16.748 -13.301 1.00 0.00 S ATOM 0 H CYS A 124 63.122 15.262 -11.344 1.00 0.00 H new ATOM 0 HA CYS A 124 64.192 16.057 -13.825 1.00 0.00 H new ATOM 0 HB2 CYS A 124 62.903 17.583 -11.513 1.00 0.00 H new ATOM 0 HB3 CYS A 124 63.306 18.342 -13.040 1.00 0.00 H new ATOM 0 HG CYS A 124 60.556 17.608 -13.124 1.00 0.00 H new ATOM 963 N PHE A 125 65.783 17.164 -11.149 1.00 0.00 N ATOM 964 CA PHE A 125 67.032 17.773 -10.702 1.00 0.00 C ATOM 965 C PHE A 125 67.538 17.093 -9.439 1.00 0.00 C ATOM 966 O PHE A 125 66.884 16.201 -8.900 1.00 0.00 O ATOM 967 CB PHE A 125 66.824 19.255 -10.416 1.00 0.00 C ATOM 968 CG PHE A 125 66.143 19.904 -11.597 1.00 0.00 C ATOM 969 CD1 PHE A 125 64.774 20.191 -11.546 1.00 0.00 C ATOM 970 CD2 PHE A 125 66.881 20.217 -12.745 1.00 0.00 C ATOM 971 CE1 PHE A 125 64.143 20.792 -12.641 1.00 0.00 C ATOM 972 CE2 PHE A 125 66.251 20.817 -13.839 1.00 0.00 C ATOM 973 CZ PHE A 125 64.881 21.105 -13.788 1.00 0.00 C ATOM 0 H PHE A 125 65.163 16.863 -10.397 1.00 0.00 H new ATOM 0 HA PHE A 125 67.768 17.652 -11.497 1.00 0.00 H new ATOM 0 HB2 PHE A 125 66.219 19.382 -9.519 1.00 0.00 H new ATOM 0 HB3 PHE A 125 67.782 19.738 -10.225 1.00 0.00 H new ATOM 0 HD1 PHE A 125 64.204 19.948 -10.661 1.00 0.00 H new ATOM 0 HD2 PHE A 125 67.937 19.995 -12.785 1.00 0.00 H new ATOM 0 HE1 PHE A 125 63.087 21.014 -12.601 1.00 0.00 H new ATOM 0 HE2 PHE A 125 66.821 21.059 -14.724 1.00 0.00 H new ATOM 0 HZ PHE A 125 64.395 21.568 -14.634 1.00 0.00 H new ATOM 983 N SER A 126 68.705 17.526 -8.968 1.00 0.00 N ATOM 984 CA SER A 126 69.284 16.954 -7.762 1.00 0.00 C ATOM 985 C SER A 126 69.501 18.017 -6.683 1.00 0.00 C ATOM 986 O SER A 126 70.630 18.303 -6.286 1.00 0.00 O ATOM 987 CB SER A 126 70.609 16.276 -8.095 1.00 0.00 C ATOM 988 OG SER A 126 71.176 16.883 -9.247 1.00 0.00 O ATOM 0 H SER A 126 69.261 18.264 -9.400 1.00 0.00 H new ATOM 0 HA SER A 126 68.583 16.217 -7.370 1.00 0.00 H new ATOM 0 HB2 SER A 126 71.295 16.360 -7.252 1.00 0.00 H new ATOM 0 HB3 SER A 126 70.451 15.212 -8.272 1.00 0.00 H new ATOM 0 HG SER A 126 72.152 16.797 -9.216 1.00 0.00 H new ATOM 994 N LYS A 127 68.408 18.599 -6.216 1.00 0.00 N ATOM 995 CA LYS A 127 68.480 19.622 -5.178 1.00 0.00 C ATOM 996 C LYS A 127 68.420 19.007 -3.780 1.00 0.00 C ATOM 997 O LYS A 127 68.968 19.563 -2.827 1.00 0.00 O ATOM 998 CB LYS A 127 67.336 20.607 -5.343 1.00 0.00 C ATOM 999 CG LYS A 127 67.460 21.302 -6.698 1.00 0.00 C ATOM 1000 CD LYS A 127 66.422 22.418 -6.792 1.00 0.00 C ATOM 1001 CE LYS A 127 65.023 21.808 -6.862 1.00 0.00 C ATOM 1002 NZ LYS A 127 64.020 22.897 -7.023 1.00 0.00 N ATOM 0 H LYS A 127 67.464 18.384 -6.535 1.00 0.00 H new ATOM 0 HA LYS A 127 69.434 20.138 -5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 127 66.380 20.087 -5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 127 67.357 21.344 -4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 127 68.463 21.712 -6.819 1.00 0.00 H new ATOM 0 HG3 LYS A 127 67.311 20.583 -7.503 1.00 0.00 H new ATOM 0 HD2 LYS A 127 66.501 23.076 -5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 127 66.608 23.029 -7.675 1.00 0.00 H new ATOM 0 HE2 LYS A 127 64.959 21.112 -7.698 1.00 0.00 H new ATOM 0 HE3 LYS A 127 64.816 21.238 -5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 63.066 22.486 -7.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 64.077 23.545 -6.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 64.215 23.422 -7.899 1.00 0.00 H new ATOM 1016 N ASP A 128 67.732 17.873 -3.658 1.00 0.00 N ATOM 1017 CA ASP A 128 67.589 17.213 -2.360 1.00 0.00 C ATOM 1018 C ASP A 128 68.319 15.869 -2.330 1.00 0.00 C ATOM 1019 O ASP A 128 67.996 14.992 -1.530 1.00 0.00 O ATOM 1020 CB ASP A 128 66.108 16.998 -2.038 1.00 0.00 C ATOM 1021 CG ASP A 128 65.800 17.486 -0.625 1.00 0.00 C ATOM 1022 OD1 ASP A 128 66.275 18.553 -0.268 1.00 0.00 O ATOM 1023 OD2 ASP A 128 65.090 16.788 0.079 1.00 0.00 O ATOM 0 H ASP A 128 67.269 17.396 -4.432 1.00 0.00 H new ATOM 0 HA ASP A 128 68.038 17.862 -1.609 1.00 0.00 H new ATOM 0 HB2 ASP A 128 65.490 17.534 -2.758 1.00 0.00 H new ATOM 0 HB3 ASP A 128 65.858 15.941 -2.128 1.00 0.00 H new ATOM 1028 N ILE A 129 69.305 15.715 -3.198 1.00 0.00 N ATOM 1029 CA ILE A 129 70.080 14.476 -3.246 1.00 0.00 C ATOM 1030 C ILE A 129 70.857 14.286 -1.948 1.00 0.00 C ATOM 1031 O ILE A 129 70.619 15.007 -0.980 1.00 0.00 O ATOM 1032 CB ILE A 129 71.050 14.502 -4.426 1.00 0.00 C ATOM 1033 CG1 ILE A 129 71.782 15.847 -4.458 1.00 0.00 C ATOM 1034 CG2 ILE A 129 70.268 14.296 -5.720 1.00 0.00 C ATOM 1035 CD1 ILE A 129 73.011 15.750 -5.363 1.00 0.00 C ATOM 0 H ILE A 129 69.590 16.423 -3.875 1.00 0.00 H new ATOM 0 HA ILE A 129 69.388 13.643 -3.372 1.00 0.00 H new ATOM 0 HB ILE A 129 71.785 13.704 -4.320 1.00 0.00 H new ATOM 0 HG12 ILE A 129 71.113 16.627 -4.822 1.00 0.00 H new ATOM 0 HG13 ILE A 129 72.084 16.131 -3.450 1.00 0.00 H new ATOM 0 HG21 ILE A 129 70.954 14.313 -6.567 1.00 0.00 H new ATOM 0 HG22 ILE A 129 69.757 13.334 -5.687 1.00 0.00 H new ATOM 0 HG23 ILE A 129 69.533 15.093 -5.832 1.00 0.00 H new ATOM 0 HD11 ILE A 129 73.526 16.710 -5.381 1.00 0.00 H new ATOM 0 HD12 ILE A 129 73.685 14.983 -4.980 1.00 0.00 H new ATOM 0 HD13 ILE A 129 72.699 15.487 -6.374 1.00 0.00 H new ATOM 1047 N VAL A 130 71.768 13.301 -1.942 1.00 0.00 N ATOM 1048 CA VAL A 130 72.583 12.995 -0.771 1.00 0.00 C ATOM 1049 C VAL A 130 72.938 14.265 -0.022 1.00 0.00 C ATOM 1050 O VAL A 130 73.787 15.027 -0.465 1.00 0.00 O ATOM 1051 CB VAL A 130 73.882 12.307 -1.204 1.00 0.00 C ATOM 1052 CG1 VAL A 130 73.662 10.799 -1.314 1.00 0.00 C ATOM 1053 CG2 VAL A 130 74.332 12.862 -2.560 1.00 0.00 C ATOM 0 H VAL A 130 71.955 12.702 -2.746 1.00 0.00 H new ATOM 0 HA VAL A 130 72.007 12.337 -0.120 1.00 0.00 H new ATOM 0 HB VAL A 130 74.654 12.501 -0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 130 74.590 10.317 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 130 73.353 10.405 -0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 130 72.886 10.597 -2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 130 75.256 12.371 -2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 130 73.558 12.675 -3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 130 74.502 13.935 -2.475 1.00 0.00 H new ATOM 1063 N GLU A 131 72.261 14.475 1.103 1.00 0.00 N ATOM 1064 CA GLU A 131 72.468 15.654 1.937 1.00 0.00 C ATOM 1065 C GLU A 131 71.437 15.711 3.044 1.00 0.00 C ATOM 1066 O GLU A 131 71.712 16.197 4.140 1.00 0.00 O ATOM 1067 CB GLU A 131 72.313 16.922 1.117 1.00 0.00 C ATOM 1068 CG GLU A 131 73.692 17.519 0.853 1.00 0.00 C ATOM 1069 CD GLU A 131 73.664 18.380 -0.405 1.00 0.00 C ATOM 1070 OE1 GLU A 131 72.580 18.755 -0.817 1.00 0.00 O ATOM 1071 OE2 GLU A 131 74.729 18.650 -0.937 1.00 0.00 O ATOM 0 H GLU A 131 71.554 13.833 1.462 1.00 0.00 H new ATOM 0 HA GLU A 131 73.474 15.583 2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 131 71.812 16.701 0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 131 71.688 17.640 1.649 1.00 0.00 H new ATOM 0 HG2 GLU A 131 74.005 18.120 1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 131 74.426 16.721 0.739 1.00 0.00 H new ATOM 1078 N ASN A 132 70.235 15.249 2.738 1.00 0.00 N ATOM 1079 CA ASN A 132 69.163 15.295 3.709 1.00 0.00 C ATOM 1080 C ASN A 132 69.227 14.092 4.644 1.00 0.00 C ATOM 1081 O ASN A 132 68.382 13.200 4.582 1.00 0.00 O ATOM 1082 CB ASN A 132 67.816 15.315 2.993 1.00 0.00 C ATOM 1083 CG ASN A 132 67.776 16.467 1.997 1.00 0.00 C ATOM 1084 OD1 ASN A 132 67.457 17.598 2.366 1.00 0.00 O ATOM 1085 ND2 ASN A 132 68.109 16.253 0.755 1.00 0.00 N ATOM 0 H ASN A 132 69.983 14.844 1.837 1.00 0.00 H new ATOM 0 HA ASN A 132 69.276 16.203 4.302 1.00 0.00 H new ATOM 0 HB2 ASN A 132 67.655 14.369 2.475 1.00 0.00 H new ATOM 0 HB3 ASN A 132 67.010 15.422 3.719 1.00 0.00 H new ATOM 0 HD21 ASN A 132 68.106 17.023 0.086 1.00 0.00 H new ATOM 0 HD22 ASN A 132 68.373 15.315 0.452 1.00 0.00 H new ATOM 1092 N TYR A 133 70.236 14.075 5.505 1.00 0.00 N ATOM 1093 CA TYR A 133 70.409 12.986 6.444 1.00 0.00 C ATOM 1094 C TYR A 133 69.829 13.348 7.808 1.00 0.00 C ATOM 1095 O TYR A 133 70.343 12.922 8.841 1.00 0.00 O ATOM 1096 CB TYR A 133 71.895 12.661 6.590 1.00 0.00 C ATOM 1097 CG TYR A 133 72.672 13.910 6.918 1.00 0.00 C ATOM 1098 CD1 TYR A 133 72.780 14.321 8.243 1.00 0.00 C ATOM 1099 CD2 TYR A 133 73.285 14.653 5.902 1.00 0.00 C ATOM 1100 CE1 TYR A 133 73.499 15.477 8.566 1.00 0.00 C ATOM 1101 CE2 TYR A 133 74.005 15.811 6.219 1.00 0.00 C ATOM 1102 CZ TYR A 133 74.112 16.224 7.553 1.00 0.00 C ATOM 1103 OH TYR A 133 74.820 17.366 7.869 1.00 0.00 O ATOM 0 H TYR A 133 70.945 14.806 5.569 1.00 0.00 H new ATOM 0 HA TYR A 133 69.878 12.114 6.061 1.00 0.00 H new ATOM 0 HB2 TYR A 133 72.037 11.919 7.376 1.00 0.00 H new ATOM 0 HB3 TYR A 133 72.271 12.222 5.666 1.00 0.00 H new ATOM 0 HD1 TYR A 133 72.307 13.746 9.025 1.00 0.00 H new ATOM 0 HD2 TYR A 133 73.202 14.333 4.874 1.00 0.00 H new ATOM 0 HE1 TYR A 133 73.581 15.793 9.596 1.00 0.00 H new ATOM 0 HE2 TYR A 133 74.477 16.385 5.436 1.00 0.00 H new ATOM 0 HH TYR A 133 75.182 17.764 7.050 1.00 0.00 H new ATOM 1113 N PHE A 134 68.760 14.136 7.805 1.00 0.00 N ATOM 1114 CA PHE A 134 68.130 14.550 9.054 1.00 0.00 C ATOM 1115 C PHE A 134 67.680 13.331 9.857 1.00 0.00 C ATOM 1116 O PHE A 134 67.955 13.230 11.053 1.00 0.00 O ATOM 1117 CB PHE A 134 66.927 15.447 8.758 1.00 0.00 C ATOM 1118 CG PHE A 134 66.243 15.817 10.048 1.00 0.00 C ATOM 1119 CD1 PHE A 134 66.740 16.869 10.809 1.00 0.00 C ATOM 1120 CD2 PHE A 134 65.117 15.107 10.479 1.00 0.00 C ATOM 1121 CE1 PHE A 134 66.114 17.225 12.010 1.00 0.00 C ATOM 1122 CE2 PHE A 134 64.487 15.458 11.679 1.00 0.00 C ATOM 1123 CZ PHE A 134 64.987 16.517 12.447 1.00 0.00 C ATOM 0 H PHE A 134 68.315 14.498 6.962 1.00 0.00 H new ATOM 0 HA PHE A 134 68.859 15.106 9.643 1.00 0.00 H new ATOM 0 HB2 PHE A 134 67.251 16.347 8.236 1.00 0.00 H new ATOM 0 HB3 PHE A 134 66.229 14.930 8.100 1.00 0.00 H new ATOM 0 HD1 PHE A 134 67.611 17.413 10.473 1.00 0.00 H new ATOM 0 HD2 PHE A 134 64.734 14.289 9.887 1.00 0.00 H new ATOM 0 HE1 PHE A 134 66.500 18.044 12.599 1.00 0.00 H new ATOM 0 HE2 PHE A 134 63.616 14.913 12.012 1.00 0.00 H new ATOM 0 HZ PHE A 134 64.505 16.787 13.375 1.00 0.00 H new ATOM 1133 N MET A 135 66.995 12.407 9.192 1.00 0.00 N ATOM 1134 CA MET A 135 66.520 11.197 9.850 1.00 0.00 C ATOM 1135 C MET A 135 67.685 10.278 10.195 1.00 0.00 C ATOM 1136 O MET A 135 68.652 10.179 9.442 1.00 0.00 O ATOM 1137 CB MET A 135 65.542 10.464 8.935 1.00 0.00 C ATOM 1138 CG MET A 135 64.164 11.124 9.011 1.00 0.00 C ATOM 1139 SD MET A 135 63.430 10.804 10.637 1.00 0.00 S ATOM 1140 CE MET A 135 63.529 12.491 11.284 1.00 0.00 C ATOM 0 H MET A 135 66.757 12.473 8.202 1.00 0.00 H new ATOM 0 HA MET A 135 66.016 11.480 10.774 1.00 0.00 H new ATOM 0 HB2 MET A 135 65.908 10.482 7.908 1.00 0.00 H new ATOM 0 HB3 MET A 135 65.470 9.417 9.229 1.00 0.00 H new ATOM 0 HG2 MET A 135 64.254 12.198 8.845 1.00 0.00 H new ATOM 0 HG3 MET A 135 63.518 10.733 8.225 1.00 0.00 H new ATOM 0 HE1 MET A 135 62.895 12.580 12.166 1.00 0.00 H new ATOM 0 HE2 MET A 135 64.560 12.717 11.555 1.00 0.00 H new ATOM 0 HE3 MET A 135 63.192 13.193 10.522 1.00 0.00 H new ATOM 1150 N ARG A 136 67.581 9.608 11.339 1.00 0.00 N ATOM 1151 CA ARG A 136 68.631 8.695 11.780 1.00 0.00 C ATOM 1152 C ARG A 136 68.088 7.718 12.820 1.00 0.00 C ATOM 1153 O ARG A 136 68.808 7.261 13.708 1.00 0.00 O ATOM 1154 CB ARG A 136 69.801 9.494 12.366 1.00 0.00 C ATOM 1155 CG ARG A 136 70.985 9.465 11.399 1.00 0.00 C ATOM 1156 CD ARG A 136 71.822 8.213 11.658 1.00 0.00 C ATOM 1157 NE ARG A 136 73.102 8.310 10.964 1.00 0.00 N ATOM 1158 CZ ARG A 136 74.116 9.019 11.465 1.00 0.00 C ATOM 1159 NH1 ARG A 136 73.990 9.658 12.602 1.00 0.00 N ATOM 1160 NH2 ARG A 136 75.246 9.077 10.813 1.00 0.00 N ATOM 0 H ARG A 136 66.786 9.679 11.974 1.00 0.00 H new ATOM 0 HA ARG A 136 68.983 8.123 10.921 1.00 0.00 H new ATOM 0 HB2 ARG A 136 69.494 10.524 12.549 1.00 0.00 H new ATOM 0 HB3 ARG A 136 70.095 9.073 13.328 1.00 0.00 H new ATOM 0 HG2 ARG A 136 70.628 9.470 10.369 1.00 0.00 H new ATOM 0 HG3 ARG A 136 71.597 10.358 11.529 1.00 0.00 H new ATOM 0 HD2 ARG A 136 71.989 8.093 12.728 1.00 0.00 H new ATOM 0 HD3 ARG A 136 71.282 7.329 11.319 1.00 0.00 H new ATOM 0 HE ARG A 136 73.225 7.825 10.075 1.00 0.00 H new ATOM 0 HH11 ARG A 136 73.109 9.617 13.115 1.00 0.00 H new ATOM 0 HH12 ARG A 136 74.773 10.196 12.974 1.00 0.00 H new ATOM 0 HH21 ARG A 136 75.349 8.582 9.927 1.00 0.00 H new ATOM 0 HH22 ARG A 136 76.025 9.617 11.190 1.00 0.00 H new ATOM 1174 N ASP A 137 66.812 7.398 12.691 1.00 0.00 N ATOM 1175 CA ASP A 137 66.170 6.474 13.616 1.00 0.00 C ATOM 1176 C ASP A 137 66.117 5.068 13.025 1.00 0.00 C ATOM 1177 O ASP A 137 66.285 4.884 11.820 1.00 0.00 O ATOM 1178 CB ASP A 137 64.765 6.956 13.949 1.00 0.00 C ATOM 1179 CG ASP A 137 64.832 8.188 14.843 1.00 0.00 C ATOM 1180 OD1 ASP A 137 65.905 8.465 15.355 1.00 0.00 O ATOM 1181 OD2 ASP A 137 63.811 8.835 15.006 1.00 0.00 O ATOM 0 H ASP A 137 66.201 7.761 11.959 1.00 0.00 H new ATOM 0 HA ASP A 137 66.759 6.440 14.532 1.00 0.00 H new ATOM 0 HB2 ASP A 137 64.226 7.192 13.031 1.00 0.00 H new ATOM 0 HB3 ASP A 137 64.209 6.163 14.450 1.00 0.00 H new ATOM 1186 N SER A 138 65.903 4.077 13.885 1.00 0.00 N ATOM 1187 CA SER A 138 65.850 2.694 13.444 1.00 0.00 C ATOM 1188 C SER A 138 65.158 1.811 14.477 1.00 0.00 C ATOM 1189 O SER A 138 64.878 2.246 15.594 1.00 0.00 O ATOM 1190 CB SER A 138 67.265 2.190 13.194 1.00 0.00 C ATOM 1191 OG SER A 138 68.003 2.217 14.408 1.00 0.00 O ATOM 0 H SER A 138 65.764 4.209 14.887 1.00 0.00 H new ATOM 0 HA SER A 138 65.272 2.646 12.521 1.00 0.00 H new ATOM 0 HB2 SER A 138 67.235 1.175 12.797 1.00 0.00 H new ATOM 0 HB3 SER A 138 67.756 2.811 12.445 1.00 0.00 H new ATOM 0 HG SER A 138 68.316 3.130 14.580 1.00 0.00 H new ATOM 1197 N GLY A 139 64.884 0.567 14.093 1.00 0.00 N ATOM 1198 CA GLY A 139 64.226 -0.376 14.988 1.00 0.00 C ATOM 1199 C GLY A 139 65.061 -0.601 16.244 1.00 0.00 C ATOM 1200 O GLY A 139 64.527 -0.703 17.348 1.00 0.00 O ATOM 0 H GLY A 139 65.107 0.191 13.171 1.00 0.00 H new ATOM 0 HA2 GLY A 139 63.242 0.003 15.263 1.00 0.00 H new ATOM 0 HA3 GLY A 139 64.071 -1.325 14.474 1.00 0.00 H new ATOM 1204 N SER A 140 66.375 -0.678 16.064 1.00 0.00 N ATOM 1205 CA SER A 140 67.284 -0.890 17.177 1.00 0.00 C ATOM 1206 C SER A 140 67.738 0.455 17.744 1.00 0.00 C ATOM 1207 O SER A 140 67.070 1.469 17.557 1.00 0.00 O ATOM 1208 CB SER A 140 68.494 -1.695 16.700 1.00 0.00 C ATOM 1209 OG SER A 140 68.045 -2.817 15.952 1.00 0.00 O ATOM 0 H SER A 140 66.832 -0.596 15.156 1.00 0.00 H new ATOM 0 HA SER A 140 66.771 -1.445 17.962 1.00 0.00 H new ATOM 0 HB2 SER A 140 69.142 -1.070 16.086 1.00 0.00 H new ATOM 0 HB3 SER A 140 69.085 -2.025 17.554 1.00 0.00 H new ATOM 0 HG SER A 140 68.818 -3.335 15.643 1.00 0.00 H new ATOM 1215 N LYS A 141 68.873 0.450 18.438 1.00 0.00 N ATOM 1216 CA LYS A 141 69.414 1.670 19.032 1.00 0.00 C ATOM 1217 C LYS A 141 68.488 2.191 20.126 1.00 0.00 C ATOM 1218 O LYS A 141 67.400 2.692 19.846 1.00 0.00 O ATOM 1219 CB LYS A 141 69.600 2.747 17.957 1.00 0.00 C ATOM 1220 CG LYS A 141 70.415 3.907 18.534 1.00 0.00 C ATOM 1221 CD LYS A 141 70.657 4.951 17.440 1.00 0.00 C ATOM 1222 CE LYS A 141 71.489 6.104 18.005 1.00 0.00 C ATOM 1223 NZ LYS A 141 71.737 7.106 16.931 1.00 0.00 N ATOM 0 H LYS A 141 69.436 -0.384 18.603 1.00 0.00 H new ATOM 0 HA LYS A 141 70.382 1.434 19.474 1.00 0.00 H new ATOM 0 HB2 LYS A 141 70.109 2.327 17.090 1.00 0.00 H new ATOM 0 HB3 LYS A 141 68.629 3.105 17.614 1.00 0.00 H new ATOM 0 HG2 LYS A 141 69.883 4.358 19.372 1.00 0.00 H new ATOM 0 HG3 LYS A 141 71.366 3.541 18.920 1.00 0.00 H new ATOM 0 HD2 LYS A 141 71.175 4.495 16.596 1.00 0.00 H new ATOM 0 HD3 LYS A 141 69.705 5.326 17.064 1.00 0.00 H new ATOM 0 HE2 LYS A 141 70.965 6.571 18.839 1.00 0.00 H new ATOM 0 HE3 LYS A 141 72.436 5.728 18.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 72.303 7.891 17.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 72.253 6.656 16.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 70.829 7.472 16.581 1.00 0.00 H new ATOM 1237 N ALA A 142 68.930 2.067 21.373 1.00 0.00 N ATOM 1238 CA ALA A 142 68.134 2.526 22.507 1.00 0.00 C ATOM 1239 C ALA A 142 66.761 1.861 22.497 1.00 0.00 C ATOM 1240 O ALA A 142 65.757 2.483 22.844 1.00 0.00 O ATOM 1241 CB ALA A 142 67.973 4.048 22.453 1.00 0.00 C ATOM 0 H ALA A 142 69.829 1.655 21.624 1.00 0.00 H new ATOM 0 HA ALA A 142 68.651 2.252 23.427 1.00 0.00 H new ATOM 0 HB1 ALA A 142 67.378 4.381 23.303 1.00 0.00 H new ATOM 0 HB2 ALA A 142 68.955 4.519 22.491 1.00 0.00 H new ATOM 0 HB3 ALA A 142 67.471 4.328 21.527 1.00 0.00 H new ATOM 1247 N ALA A 143 66.727 0.594 22.097 1.00 0.00 N ATOM 1248 CA ALA A 143 65.472 -0.146 22.044 1.00 0.00 C ATOM 1249 C ALA A 143 65.708 -1.624 22.342 1.00 0.00 C ATOM 1250 O ALA A 143 66.776 -2.163 22.055 1.00 0.00 O ATOM 1251 CB ALA A 143 64.838 0.001 20.660 1.00 0.00 C ATOM 0 H ALA A 143 67.547 0.062 21.807 1.00 0.00 H new ATOM 0 HA ALA A 143 64.799 0.262 22.798 1.00 0.00 H new ATOM 0 HB1 ALA A 143 63.901 -0.555 20.628 1.00 0.00 H new ATOM 0 HB2 ALA A 143 64.642 1.054 20.459 1.00 0.00 H new ATOM 0 HB3 ALA A 143 65.518 -0.392 19.905 1.00 0.00 H new ATOM 1257 N THR A 144 64.703 -2.272 22.921 1.00 0.00 N ATOM 1258 CA THR A 144 64.810 -3.688 23.256 1.00 0.00 C ATOM 1259 C THR A 144 64.787 -4.541 21.992 1.00 0.00 C ATOM 1260 O THR A 144 63.922 -4.373 21.133 1.00 0.00 O ATOM 1261 CB THR A 144 63.654 -4.097 24.171 1.00 0.00 C ATOM 1262 OG1 THR A 144 63.701 -3.325 25.364 1.00 0.00 O ATOM 1263 CG2 THR A 144 63.778 -5.582 24.518 1.00 0.00 C ATOM 0 H THR A 144 63.811 -1.843 23.167 1.00 0.00 H new ATOM 0 HA THR A 144 65.756 -3.849 23.772 1.00 0.00 H new ATOM 0 HB THR A 144 62.706 -3.922 23.661 1.00 0.00 H new ATOM 0 HG1 THR A 144 62.960 -3.584 25.951 1.00 0.00 H new ATOM 0 HG21 THR A 144 62.954 -5.873 25.170 1.00 0.00 H new ATOM 0 HG22 THR A 144 63.743 -6.174 23.603 1.00 0.00 H new ATOM 0 HG23 THR A 144 64.725 -5.759 25.029 1.00 0.00 H new ATOM 1271 N ASP A 145 65.742 -5.460 21.886 1.00 0.00 N ATOM 1272 CA ASP A 145 65.821 -6.336 20.724 1.00 0.00 C ATOM 1273 C ASP A 145 65.958 -7.792 21.159 1.00 0.00 C ATOM 1274 O ASP A 145 66.841 -8.072 21.952 1.00 0.00 O ATOM 1275 CB ASP A 145 67.018 -5.946 19.854 1.00 0.00 C ATOM 1276 CG ASP A 145 68.107 -5.319 20.718 1.00 0.00 C ATOM 1277 OD1 ASP A 145 67.959 -4.162 21.076 1.00 0.00 O ATOM 1278 OD2 ASP A 145 69.073 -6.005 21.008 1.00 0.00 O ATOM 1279 OXT ASP A 145 65.177 -8.605 20.692 1.00 0.00 O ATOM 0 H ASP A 145 66.467 -5.616 22.586 1.00 0.00 H new ATOM 0 HA ASP A 145 64.903 -6.226 20.147 1.00 0.00 H new ATOM 0 HB2 ASP A 145 67.409 -6.826 19.343 1.00 0.00 H new ATOM 0 HB3 ASP A 145 66.704 -5.243 19.083 1.00 0.00 H new TER 1284 ASP A 145 HETATM 1285 ZN ZN A 201 62.124 8.154 -6.102 1.00 0.00 ZN HETATM 1286 ZN ZN A 202 68.557 0.732 1.106 1.00 0.00 ZN