USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=13 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=0.000461 K(o=0.00046,f=-1.1) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -139:sc= 0.78 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) 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= -0.648 USER MOD Single : A 121 LYS NZ :NH3+ -156:sc= 1.17 (180deg=0.492) USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 123 GLN : amide:sc= -3.23 K(o=-3.2,f=-4.9!) USER MOD Single : A 124 CYS SG : rot -115:sc= -0.0531! USER MOD Single : A 126 SER OG : rot 70:sc= 0.899 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -2.9 K(o=-2.9,f=-1.3) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl -170:sc= -2.83 (180deg=-2.83) USER MOD Single : A 138 SER OG : rot -90:sc= -0.304 USER MOD Single : A 140 SER OG : rot -59:sc= 0.891 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 57.105 -0.838 15.646 1.00 0.00 N ATOM 2 CA GLY A 54 58.348 -0.839 14.884 1.00 0.00 C ATOM 3 C GLY A 54 59.441 -0.079 15.625 1.00 0.00 C ATOM 4 O GLY A 54 59.218 1.031 16.109 1.00 0.00 O ATOM 0 HA2 GLY A 54 58.670 -1.865 14.707 1.00 0.00 H new ATOM 0 HA3 GLY A 54 58.181 -0.384 13.908 1.00 0.00 H new ATOM 8 N GLY A 55 60.624 -0.681 15.710 1.00 0.00 N ATOM 9 CA GLY A 55 61.744 -0.046 16.394 1.00 0.00 C ATOM 10 C GLY A 55 62.137 1.257 15.707 1.00 0.00 C ATOM 11 O GLY A 55 62.417 2.259 16.364 1.00 0.00 O ATOM 0 H GLY A 55 60.830 -1.600 15.317 1.00 0.00 H new ATOM 0 HA2 GLY A 55 61.476 0.153 17.432 1.00 0.00 H new ATOM 0 HA3 GLY A 55 62.597 -0.724 16.410 1.00 0.00 H new ATOM 15 N ALA A 56 62.153 1.236 14.378 1.00 0.00 N ATOM 16 CA ALA A 56 62.507 2.424 13.615 1.00 0.00 C ATOM 17 C ALA A 56 61.306 3.359 13.509 1.00 0.00 C ATOM 18 O ALA A 56 60.207 2.936 13.152 1.00 0.00 O ATOM 19 CB ALA A 56 62.986 2.024 12.213 1.00 0.00 C ATOM 0 H ALA A 56 61.927 0.417 13.813 1.00 0.00 H new ATOM 0 HA ALA A 56 63.314 2.945 14.130 1.00 0.00 H new ATOM 0 HB1 ALA A 56 63.249 2.919 11.649 1.00 0.00 H new ATOM 0 HB2 ALA A 56 63.860 1.379 12.298 1.00 0.00 H new ATOM 0 HB3 ALA A 56 62.190 1.490 11.695 1.00 0.00 H new ATOM 25 N GLU A 57 61.528 4.631 13.817 1.00 0.00 N ATOM 26 CA GLU A 57 60.463 5.630 13.752 1.00 0.00 C ATOM 27 C GLU A 57 60.391 6.263 12.361 1.00 0.00 C ATOM 28 O GLU A 57 59.855 7.359 12.184 1.00 0.00 O ATOM 29 CB GLU A 57 60.702 6.718 14.791 1.00 0.00 C ATOM 30 CG GLU A 57 60.448 6.154 16.192 1.00 0.00 C ATOM 31 CD GLU A 57 60.877 7.161 17.253 1.00 0.00 C ATOM 32 OE1 GLU A 57 61.617 8.070 16.916 1.00 0.00 O ATOM 33 OE2 GLU A 57 60.455 7.011 18.389 1.00 0.00 O ATOM 0 H GLU A 57 62.433 4.997 14.114 1.00 0.00 H new ATOM 0 HA GLU A 57 59.517 5.129 13.958 1.00 0.00 H new ATOM 0 HB2 GLU A 57 61.725 7.088 14.717 1.00 0.00 H new ATOM 0 HB3 GLU A 57 60.042 7.565 14.604 1.00 0.00 H new ATOM 0 HG2 GLU A 57 59.390 5.919 16.311 1.00 0.00 H new ATOM 0 HG3 GLU A 57 60.998 5.222 16.322 1.00 0.00 H new ATOM 40 N ALA A 58 60.930 5.557 11.381 1.00 0.00 N ATOM 41 CA ALA A 58 60.931 6.033 10.007 1.00 0.00 C ATOM 42 C ALA A 58 59.522 6.200 9.471 1.00 0.00 C ATOM 43 O ALA A 58 59.316 6.813 8.428 1.00 0.00 O ATOM 44 CB ALA A 58 61.752 5.106 9.117 1.00 0.00 C ATOM 0 H ALA A 58 61.374 4.648 11.512 1.00 0.00 H new ATOM 0 HA ALA A 58 61.398 7.018 9.998 1.00 0.00 H new ATOM 0 HB1 ALA A 58 61.740 5.480 8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 58 62.780 5.071 9.478 1.00 0.00 H new ATOM 0 HB3 ALA A 58 61.324 4.104 9.142 1.00 0.00 H new ATOM 50 N LEU A 59 58.560 5.670 10.198 1.00 0.00 N ATOM 51 CA LEU A 59 57.164 5.773 9.815 1.00 0.00 C ATOM 52 C LEU A 59 56.788 7.212 9.482 1.00 0.00 C ATOM 53 O LEU A 59 55.812 7.459 8.772 1.00 0.00 O ATOM 54 CB LEU A 59 56.310 5.290 10.974 1.00 0.00 C ATOM 55 CG LEU A 59 56.370 3.770 11.030 1.00 0.00 C ATOM 56 CD1 LEU A 59 55.933 3.310 12.417 1.00 0.00 C ATOM 57 CD2 LEU A 59 55.419 3.175 9.983 1.00 0.00 C ATOM 0 H LEU A 59 58.720 5.159 11.066 1.00 0.00 H new ATOM 0 HA LEU A 59 56.996 5.163 8.927 1.00 0.00 H new ATOM 0 HB2 LEU A 59 56.670 5.716 11.911 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.280 5.622 10.847 1.00 0.00 H new ATOM 0 HG LEU A 59 57.388 3.437 10.825 1.00 0.00 H new ATOM 0 HD11 LEU A 59 55.972 2.222 12.469 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.600 3.733 13.168 1.00 0.00 H new ATOM 0 HD13 LEU A 59 54.914 3.646 12.607 1.00 0.00 H new ATOM 0 HD21 LEU A 59 55.465 2.087 10.026 1.00 0.00 H new ATOM 0 HD22 LEU A 59 54.400 3.504 10.188 1.00 0.00 H new ATOM 0 HD23 LEU A 59 55.715 3.511 8.989 1.00 0.00 H new ATOM 69 N GLU A 60 57.557 8.160 10.001 1.00 0.00 N ATOM 70 CA GLU A 60 57.276 9.561 9.748 1.00 0.00 C ATOM 71 C GLU A 60 57.306 9.857 8.260 1.00 0.00 C ATOM 72 O GLU A 60 56.433 10.547 7.735 1.00 0.00 O ATOM 73 CB GLU A 60 58.316 10.436 10.449 1.00 0.00 C ATOM 74 CG GLU A 60 58.105 10.372 11.961 1.00 0.00 C ATOM 75 CD GLU A 60 59.255 11.071 12.678 1.00 0.00 C ATOM 76 OE1 GLU A 60 60.253 11.343 12.032 1.00 0.00 O ATOM 77 OE2 GLU A 60 59.121 11.325 13.865 1.00 0.00 O ATOM 0 H GLU A 60 58.370 7.985 10.592 1.00 0.00 H new ATOM 0 HA GLU A 60 56.281 9.782 10.135 1.00 0.00 H new ATOM 0 HB2 GLU A 60 59.321 10.096 10.197 1.00 0.00 H new ATOM 0 HB3 GLU A 60 58.232 11.466 10.103 1.00 0.00 H new ATOM 0 HG2 GLU A 60 57.159 10.846 12.225 1.00 0.00 H new ATOM 0 HG3 GLU A 60 58.042 9.333 12.284 1.00 0.00 H new ATOM 84 N LEU A 61 58.311 9.329 7.587 1.00 0.00 N ATOM 85 CA LEU A 61 58.443 9.544 6.153 1.00 0.00 C ATOM 86 C LEU A 61 58.045 8.298 5.360 1.00 0.00 C ATOM 87 O LEU A 61 57.374 8.402 4.337 1.00 0.00 O ATOM 88 CB LEU A 61 59.880 9.916 5.828 1.00 0.00 C ATOM 89 CG LEU A 61 60.324 11.094 6.695 1.00 0.00 C ATOM 90 CD1 LEU A 61 61.759 11.466 6.348 1.00 0.00 C ATOM 91 CD2 LEU A 61 59.413 12.302 6.458 1.00 0.00 C ATOM 0 H LEU A 61 59.043 8.753 8.003 1.00 0.00 H new ATOM 0 HA LEU A 61 57.772 10.354 5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 61 60.533 9.061 6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 61 59.967 10.177 4.773 1.00 0.00 H new ATOM 0 HG LEU A 61 60.261 10.804 7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 61 62.077 12.306 6.966 1.00 0.00 H new ATOM 0 HD12 LEU A 61 62.411 10.612 6.533 1.00 0.00 H new ATOM 0 HD13 LEU A 61 61.818 11.746 5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 61 59.741 13.133 7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 61 59.462 12.594 5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 61 58.387 12.039 6.714 1.00 0.00 H new ATOM 103 N LEU A 62 58.459 7.125 5.847 1.00 0.00 N ATOM 104 CA LEU A 62 58.152 5.862 5.198 1.00 0.00 C ATOM 105 C LEU A 62 58.387 4.714 6.174 1.00 0.00 C ATOM 106 O LEU A 62 57.471 4.335 6.892 1.00 0.00 O ATOM 107 CB LEU A 62 59.011 5.697 3.938 1.00 0.00 C ATOM 108 CG LEU A 62 58.163 5.999 2.709 1.00 0.00 C ATOM 109 CD1 LEU A 62 59.021 6.697 1.651 1.00 0.00 C ATOM 110 CD2 LEU A 62 57.615 4.687 2.142 1.00 0.00 C ATOM 0 H LEU A 62 59.013 7.031 6.698 1.00 0.00 H new ATOM 0 HA LEU A 62 57.104 5.852 4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 62 59.868 6.370 3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 62 59.405 4.682 3.882 1.00 0.00 H new ATOM 0 HG LEU A 62 57.336 6.652 2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 62 58.412 6.912 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 62 59.413 7.629 2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 62 59.849 6.048 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 62 57.007 4.897 1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 62 58.444 4.036 1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 62 57.003 4.192 2.896 1.00 0.00 H new ATOM 122 N GLU A 63 59.615 4.191 6.196 1.00 0.00 N ATOM 123 CA GLU A 63 60.008 3.096 7.080 1.00 0.00 C ATOM 124 C GLU A 63 61.334 2.487 6.632 1.00 0.00 C ATOM 125 O GLU A 63 62.385 2.787 7.197 1.00 0.00 O ATOM 126 CB GLU A 63 58.941 2.018 7.090 1.00 0.00 C ATOM 127 CG GLU A 63 58.200 2.043 8.423 1.00 0.00 C ATOM 128 CD GLU A 63 57.777 0.630 8.811 1.00 0.00 C ATOM 129 OE1 GLU A 63 57.749 -0.222 7.937 1.00 0.00 O ATOM 130 OE2 GLU A 63 57.483 0.419 9.975 1.00 0.00 O ATOM 0 H GLU A 63 60.370 4.520 5.594 1.00 0.00 H new ATOM 0 HA GLU A 63 60.125 3.502 8.085 1.00 0.00 H new ATOM 0 HB2 GLU A 63 58.241 2.178 6.270 1.00 0.00 H new ATOM 0 HB3 GLU A 63 59.396 1.040 6.934 1.00 0.00 H new ATOM 0 HG2 GLU A 63 58.841 2.465 9.197 1.00 0.00 H new ATOM 0 HG3 GLU A 63 57.323 2.687 8.349 1.00 0.00 H new ATOM 137 N HIS A 64 61.278 1.626 5.618 1.00 0.00 N ATOM 138 CA HIS A 64 62.474 0.980 5.108 1.00 0.00 C ATOM 139 C HIS A 64 62.865 1.577 3.768 1.00 0.00 C ATOM 140 O HIS A 64 62.081 2.278 3.130 1.00 0.00 O ATOM 141 CB HIS A 64 62.233 -0.520 4.939 1.00 0.00 C ATOM 142 CG HIS A 64 60.980 -0.745 4.154 1.00 0.00 C ATOM 143 ND1 HIS A 64 59.749 -0.847 4.772 1.00 0.00 N ATOM 144 CD2 HIS A 64 60.744 -0.899 2.812 1.00 0.00 C ATOM 145 CE1 HIS A 64 58.835 -1.055 3.818 1.00 0.00 C ATOM 146 NE2 HIS A 64 59.384 -1.095 2.600 1.00 0.00 N ATOM 0 H HIS A 64 60.417 1.363 5.138 1.00 0.00 H new ATOM 0 HA HIS A 64 63.281 1.139 5.823 1.00 0.00 H new ATOM 0 HB2 HIS A 64 63.080 -0.979 4.429 1.00 0.00 H new ATOM 0 HB3 HIS A 64 62.152 -0.997 5.916 1.00 0.00 H new ATOM 0 HD2 HIS A 64 61.498 -0.872 2.039 1.00 0.00 H new ATOM 0 HE1 HIS A 64 57.779 -1.176 4.009 1.00 0.00 H new ATOM 0 HE2 HIS A 64 58.909 -1.238 1.709 1.00 0.00 H new ATOM 154 N CYS A 65 64.083 1.280 3.354 1.00 0.00 N ATOM 155 CA CYS A 65 64.606 1.772 2.088 1.00 0.00 C ATOM 156 C CYS A 65 64.089 0.933 0.928 1.00 0.00 C ATOM 157 O CYS A 65 64.035 -0.279 1.019 1.00 0.00 O ATOM 158 CB CYS A 65 66.122 1.723 2.124 1.00 0.00 C ATOM 159 SG CYS A 65 66.773 2.081 0.476 1.00 0.00 S ATOM 0 H CYS A 65 64.734 0.696 3.879 1.00 0.00 H new ATOM 0 HA CYS A 65 64.271 2.799 1.942 1.00 0.00 H new ATOM 0 HB2 CYS A 65 66.503 2.448 2.843 1.00 0.00 H new ATOM 0 HB3 CYS A 65 66.457 0.740 2.454 1.00 0.00 H new ATOM 164 N GLY A 66 63.696 1.591 -0.151 1.00 0.00 N ATOM 165 CA GLY A 66 63.170 0.895 -1.326 1.00 0.00 C ATOM 166 C GLY A 66 64.235 0.066 -2.051 1.00 0.00 C ATOM 167 O GLY A 66 63.931 -0.982 -2.626 1.00 0.00 O ATOM 0 H GLY A 66 63.729 2.606 -0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 66 62.353 0.241 -1.020 1.00 0.00 H new ATOM 0 HA3 GLY A 66 62.751 1.626 -2.018 1.00 0.00 H new ATOM 171 N VAL A 67 65.469 0.563 -2.067 1.00 0.00 N ATOM 172 CA VAL A 67 66.556 -0.109 -2.776 1.00 0.00 C ATOM 173 C VAL A 67 66.816 -1.523 -2.251 1.00 0.00 C ATOM 174 O VAL A 67 67.052 -2.446 -3.031 1.00 0.00 O ATOM 175 CB VAL A 67 67.835 0.710 -2.626 1.00 0.00 C ATOM 176 CG1 VAL A 67 69.015 -0.063 -3.214 1.00 0.00 C ATOM 177 CG2 VAL A 67 67.684 2.049 -3.351 1.00 0.00 C ATOM 0 H VAL A 67 65.742 1.427 -1.598 1.00 0.00 H new ATOM 0 HA VAL A 67 66.258 -0.191 -3.821 1.00 0.00 H new ATOM 0 HB VAL A 67 68.017 0.895 -1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 67 69.926 0.525 -3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 67 69.129 -1.010 -2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 67 68.833 -0.257 -4.271 1.00 0.00 H new ATOM 0 HG21 VAL A 67 68.601 2.628 -3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 67 67.494 1.870 -4.409 1.00 0.00 H new ATOM 0 HG23 VAL A 67 66.850 2.604 -2.921 1.00 0.00 H new ATOM 187 N CYS A 68 66.797 -1.683 -0.933 1.00 0.00 N ATOM 188 CA CYS A 68 67.058 -2.983 -0.321 1.00 0.00 C ATOM 189 C CYS A 68 65.802 -3.551 0.323 1.00 0.00 C ATOM 190 O CYS A 68 65.706 -4.753 0.573 1.00 0.00 O ATOM 191 CB CYS A 68 68.161 -2.839 0.729 1.00 0.00 C ATOM 192 SG CYS A 68 67.797 -1.427 1.806 1.00 0.00 S ATOM 0 H CYS A 68 66.605 -0.933 -0.269 1.00 0.00 H new ATOM 0 HA CYS A 68 67.378 -3.673 -1.101 1.00 0.00 H new ATOM 0 HB2 CYS A 68 68.234 -3.751 1.321 1.00 0.00 H new ATOM 0 HB3 CYS A 68 69.125 -2.698 0.241 1.00 0.00 H new ATOM 197 N ARG A 69 64.836 -2.683 0.573 1.00 0.00 N ATOM 198 CA ARG A 69 63.575 -3.095 1.171 1.00 0.00 C ATOM 199 C ARG A 69 63.801 -3.628 2.579 1.00 0.00 C ATOM 200 O ARG A 69 63.162 -4.588 3.005 1.00 0.00 O ATOM 201 CB ARG A 69 62.911 -4.162 0.300 1.00 0.00 C ATOM 202 CG ARG A 69 63.055 -3.786 -1.188 1.00 0.00 C ATOM 203 CD ARG A 69 64.055 -4.720 -1.881 1.00 0.00 C ATOM 204 NE ARG A 69 63.565 -5.098 -3.205 1.00 0.00 N ATOM 205 CZ ARG A 69 64.334 -5.759 -4.077 1.00 0.00 C ATOM 206 NH1 ARG A 69 65.564 -6.086 -3.772 1.00 0.00 N ATOM 207 NH2 ARG A 69 63.853 -6.085 -5.248 1.00 0.00 N ATOM 0 H ARG A 69 64.900 -1.685 0.371 1.00 0.00 H new ATOM 0 HA ARG A 69 62.917 -2.228 1.234 1.00 0.00 H new ATOM 0 HB2 ARG A 69 63.370 -5.133 0.485 1.00 0.00 H new ATOM 0 HB3 ARG A 69 61.857 -4.253 0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 69 62.085 -3.851 -1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 69 63.390 -2.753 -1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 69 65.022 -4.225 -1.972 1.00 0.00 H new ATOM 0 HD3 ARG A 69 64.209 -5.613 -1.275 1.00 0.00 H new ATOM 0 HE ARG A 69 62.612 -4.851 -3.471 1.00 0.00 H new ATOM 0 HH11 ARG A 69 65.947 -5.837 -2.860 1.00 0.00 H new ATOM 0 HH12 ARG A 69 66.140 -6.590 -4.446 1.00 0.00 H new ATOM 0 HH21 ARG A 69 62.895 -5.835 -5.493 1.00 0.00 H new ATOM 0 HH22 ARG A 69 64.436 -6.589 -5.916 1.00 0.00 H new ATOM 221 N GLU A 70 64.711 -2.980 3.297 1.00 0.00 N ATOM 222 CA GLU A 70 65.019 -3.372 4.663 1.00 0.00 C ATOM 223 C GLU A 70 64.927 -2.173 5.585 1.00 0.00 C ATOM 224 O GLU A 70 65.257 -1.050 5.201 1.00 0.00 O ATOM 225 CB GLU A 70 66.415 -3.983 4.733 1.00 0.00 C ATOM 226 CG GLU A 70 66.464 -5.209 3.825 1.00 0.00 C ATOM 227 CD GLU A 70 65.526 -6.289 4.353 1.00 0.00 C ATOM 228 OE1 GLU A 70 65.195 -6.238 5.526 1.00 0.00 O ATOM 229 OE2 GLU A 70 65.152 -7.152 3.576 1.00 0.00 O ATOM 0 H GLU A 70 65.247 -2.182 2.955 1.00 0.00 H new ATOM 0 HA GLU A 70 64.293 -4.118 4.985 1.00 0.00 H new ATOM 0 HB2 GLU A 70 67.162 -3.253 4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 70 66.653 -4.264 5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 70 66.178 -4.932 2.811 1.00 0.00 H new ATOM 0 HG3 GLU A 70 67.483 -5.594 3.775 1.00 0.00 H new ATOM 236 N ARG A 71 64.461 -2.419 6.795 1.00 0.00 N ATOM 237 CA ARG A 71 64.305 -1.359 7.774 1.00 0.00 C ATOM 238 C ARG A 71 65.578 -0.533 7.868 1.00 0.00 C ATOM 239 O ARG A 71 66.679 -1.037 7.643 1.00 0.00 O ATOM 240 CB ARG A 71 63.982 -1.977 9.131 1.00 0.00 C ATOM 241 CG ARG A 71 62.903 -1.160 9.849 1.00 0.00 C ATOM 242 CD ARG A 71 61.519 -1.607 9.372 1.00 0.00 C ATOM 243 NE ARG A 71 60.535 -1.434 10.439 1.00 0.00 N ATOM 244 CZ ARG A 71 59.270 -1.844 10.298 1.00 0.00 C ATOM 245 NH1 ARG A 71 58.870 -2.408 9.186 1.00 0.00 N ATOM 246 NH2 ARG A 71 58.425 -1.686 11.281 1.00 0.00 N ATOM 0 H ARG A 71 64.184 -3.344 7.124 1.00 0.00 H new ATOM 0 HA ARG A 71 63.491 -0.702 7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 71 63.641 -3.004 8.998 1.00 0.00 H new ATOM 0 HB3 ARG A 71 64.883 -2.017 9.743 1.00 0.00 H new ATOM 0 HG2 ARG A 71 62.988 -1.294 10.927 1.00 0.00 H new ATOM 0 HG3 ARG A 71 63.043 -0.098 9.648 1.00 0.00 H new ATOM 0 HD2 ARG A 71 61.223 -1.027 8.498 1.00 0.00 H new ATOM 0 HD3 ARG A 71 61.553 -2.652 9.065 1.00 0.00 H new ATOM 0 HE ARG A 71 60.820 -0.990 11.312 1.00 0.00 H new ATOM 0 HH11 ARG A 71 59.526 -2.539 8.416 1.00 0.00 H new ATOM 0 HH12 ARG A 71 57.903 -2.717 9.090 1.00 0.00 H new ATOM 0 HH21 ARG A 71 58.731 -1.251 12.152 1.00 0.00 H new ATOM 0 HH22 ARG A 71 57.459 -1.997 11.178 1.00 0.00 H new ATOM 260 N LEU A 72 65.415 0.742 8.184 1.00 0.00 N ATOM 261 CA LEU A 72 66.552 1.641 8.289 1.00 0.00 C ATOM 262 C LEU A 72 67.269 1.448 9.622 1.00 0.00 C ATOM 263 O LEU A 72 66.769 1.848 10.673 1.00 0.00 O ATOM 264 CB LEU A 72 66.056 3.081 8.160 1.00 0.00 C ATOM 265 CG LEU A 72 65.390 3.268 6.791 1.00 0.00 C ATOM 266 CD1 LEU A 72 64.686 4.625 6.749 1.00 0.00 C ATOM 267 CD2 LEU A 72 66.452 3.211 5.686 1.00 0.00 C ATOM 0 H LEU A 72 64.511 1.176 8.371 1.00 0.00 H new ATOM 0 HA LEU A 72 67.261 1.422 7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 72 65.346 3.306 8.956 1.00 0.00 H new ATOM 0 HB3 LEU A 72 66.889 3.776 8.270 1.00 0.00 H new ATOM 0 HG LEU A 72 64.662 2.472 6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.212 4.759 5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 72 63.928 4.666 7.531 1.00 0.00 H new ATOM 0 HD13 LEU A 72 65.416 5.419 6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 72 65.975 3.344 4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.183 4.004 5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.954 2.244 5.714 1.00 0.00 H new ATOM 279 N ARG A 73 68.444 0.826 9.564 1.00 0.00 N ATOM 280 CA ARG A 73 69.231 0.577 10.767 1.00 0.00 C ATOM 281 C ARG A 73 69.873 1.866 11.261 1.00 0.00 C ATOM 282 O ARG A 73 70.053 2.807 10.491 1.00 0.00 O ATOM 283 CB ARG A 73 70.326 -0.452 10.488 1.00 0.00 C ATOM 284 CG ARG A 73 69.689 -1.810 10.225 1.00 0.00 C ATOM 285 CD ARG A 73 70.756 -2.793 9.757 1.00 0.00 C ATOM 286 NE ARG A 73 70.170 -4.113 9.550 1.00 0.00 N ATOM 287 CZ ARG A 73 70.865 -5.108 9.001 1.00 0.00 C ATOM 288 NH1 ARG A 73 72.107 -4.927 8.627 1.00 0.00 N ATOM 289 NH2 ARG A 73 70.304 -6.274 8.835 1.00 0.00 N ATOM 0 H ARG A 73 68.870 0.487 8.701 1.00 0.00 H new ATOM 0 HA ARG A 73 68.559 0.191 11.533 1.00 0.00 H new ATOM 0 HB2 ARG A 73 70.919 -0.144 9.627 1.00 0.00 H new ATOM 0 HB3 ARG A 73 71.006 -0.515 11.338 1.00 0.00 H new ATOM 0 HG2 ARG A 73 69.211 -2.181 11.132 1.00 0.00 H new ATOM 0 HG3 ARG A 73 68.909 -1.717 9.469 1.00 0.00 H new ATOM 0 HD2 ARG A 73 71.206 -2.438 8.830 1.00 0.00 H new ATOM 0 HD3 ARG A 73 71.554 -2.854 10.497 1.00 0.00 H new ATOM 0 HE ARG A 73 69.204 -4.278 9.833 1.00 0.00 H new ATOM 0 HH11 ARG A 73 72.551 -4.018 8.755 1.00 0.00 H new ATOM 0 HH12 ARG A 73 72.630 -5.695 8.208 1.00 0.00 H new ATOM 0 HH21 ARG A 73 69.337 -6.421 9.125 1.00 0.00 H new ATOM 0 HH22 ARG A 73 70.832 -7.039 8.415 1.00 0.00 H new ATOM 303 N PRO A 74 70.231 1.932 12.515 1.00 0.00 N ATOM 304 CA PRO A 74 70.877 3.147 13.089 1.00 0.00 C ATOM 305 C PRO A 74 72.147 3.514 12.327 1.00 0.00 C ATOM 306 O PRO A 74 72.432 4.688 12.095 1.00 0.00 O ATOM 307 CB PRO A 74 71.196 2.743 14.530 1.00 0.00 C ATOM 308 CG PRO A 74 70.257 1.628 14.834 1.00 0.00 C ATOM 309 CD PRO A 74 70.072 0.874 13.527 1.00 0.00 C ATOM 0 HA PRO A 74 70.238 4.028 13.029 1.00 0.00 H new ATOM 0 HB2 PRO A 74 72.233 2.424 14.630 1.00 0.00 H new ATOM 0 HB3 PRO A 74 71.052 3.578 15.215 1.00 0.00 H new ATOM 0 HG2 PRO A 74 70.662 0.976 15.608 1.00 0.00 H new ATOM 0 HG3 PRO A 74 69.305 2.008 15.204 1.00 0.00 H new ATOM 0 HD2 PRO A 74 70.814 0.085 13.407 1.00 0.00 H new ATOM 0 HD3 PRO A 74 69.091 0.402 13.468 1.00 0.00 H new ATOM 317 N GLU A 75 72.892 2.492 11.929 1.00 0.00 N ATOM 318 CA GLU A 75 74.126 2.699 11.175 1.00 0.00 C ATOM 319 C GLU A 75 73.854 2.768 9.673 1.00 0.00 C ATOM 320 O GLU A 75 74.777 2.938 8.876 1.00 0.00 O ATOM 321 CB GLU A 75 75.130 1.581 11.455 1.00 0.00 C ATOM 322 CG GLU A 75 74.424 0.228 11.417 1.00 0.00 C ATOM 323 CD GLU A 75 75.438 -0.879 11.151 1.00 0.00 C ATOM 324 OE1 GLU A 75 76.542 -0.778 11.663 1.00 0.00 O ATOM 325 OE2 GLU A 75 75.098 -1.809 10.440 1.00 0.00 O ATOM 0 H GLU A 75 72.667 1.514 12.113 1.00 0.00 H new ATOM 0 HA GLU A 75 74.546 3.650 11.501 1.00 0.00 H new ATOM 0 HB2 GLU A 75 75.930 1.605 10.715 1.00 0.00 H new ATOM 0 HB3 GLU A 75 75.593 1.732 12.430 1.00 0.00 H new ATOM 0 HG2 GLU A 75 73.915 0.047 12.364 1.00 0.00 H new ATOM 0 HG3 GLU A 75 73.660 0.228 10.639 1.00 0.00 H new ATOM 332 N ARG A 76 72.588 2.623 9.287 1.00 0.00 N ATOM 333 CA ARG A 76 72.215 2.653 7.878 1.00 0.00 C ATOM 334 C ARG A 76 72.417 4.028 7.274 1.00 0.00 C ATOM 335 O ARG A 76 72.569 4.166 6.060 1.00 0.00 O ATOM 336 CB ARG A 76 70.745 2.303 7.732 1.00 0.00 C ATOM 337 CG ARG A 76 70.487 1.798 6.305 1.00 0.00 C ATOM 338 CD ARG A 76 69.773 0.451 6.350 1.00 0.00 C ATOM 339 NE ARG A 76 70.198 -0.386 5.234 1.00 0.00 N ATOM 340 CZ ARG A 76 69.930 -1.691 5.191 1.00 0.00 C ATOM 341 NH1 ARG A 76 69.285 -2.275 6.169 1.00 0.00 N ATOM 342 NH2 ARG A 76 70.307 -2.394 4.158 1.00 0.00 N ATOM 0 H ARG A 76 71.807 2.484 9.929 1.00 0.00 H new ATOM 0 HA ARG A 76 72.850 1.934 7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 76 70.467 1.538 8.457 1.00 0.00 H new ATOM 0 HB3 ARG A 76 70.128 3.178 7.938 1.00 0.00 H new ATOM 0 HG2 ARG A 76 69.882 2.521 5.758 1.00 0.00 H new ATOM 0 HG3 ARG A 76 71.431 1.701 5.768 1.00 0.00 H new ATOM 0 HD2 ARG A 76 69.989 -0.051 7.293 1.00 0.00 H new ATOM 0 HD3 ARG A 76 68.694 0.602 6.310 1.00 0.00 H new ATOM 0 HE ARG A 76 70.715 0.039 4.464 1.00 0.00 H new ATOM 0 HH11 ARG A 76 68.981 -1.731 6.976 1.00 0.00 H new ATOM 0 HH12 ARG A 76 69.086 -3.274 6.124 1.00 0.00 H new ATOM 0 HH21 ARG A 76 70.804 -1.944 3.389 1.00 0.00 H new ATOM 0 HH22 ARG A 76 70.105 -3.393 4.120 1.00 0.00 H new ATOM 356 N GLU A 77 72.386 5.044 8.115 1.00 0.00 N ATOM 357 CA GLU A 77 72.530 6.397 7.637 1.00 0.00 C ATOM 358 C GLU A 77 71.468 6.693 6.591 1.00 0.00 C ATOM 359 O GLU A 77 71.758 6.825 5.402 1.00 0.00 O ATOM 360 CB GLU A 77 73.915 6.597 7.039 1.00 0.00 C ATOM 361 CG GLU A 77 74.179 8.090 6.884 1.00 0.00 C ATOM 362 CD GLU A 77 75.609 8.314 6.413 1.00 0.00 C ATOM 363 OE1 GLU A 77 76.290 7.331 6.171 1.00 0.00 O ATOM 364 OE2 GLU A 77 76.007 9.462 6.312 1.00 0.00 O ATOM 0 H GLU A 77 72.263 4.955 9.124 1.00 0.00 H new ATOM 0 HA GLU A 77 72.405 7.082 8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.671 6.146 7.682 1.00 0.00 H new ATOM 0 HB3 GLU A 77 73.982 6.101 6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 77 73.479 8.520 6.168 1.00 0.00 H new ATOM 0 HG3 GLU A 77 74.015 8.598 7.834 1.00 0.00 H new ATOM 371 N PRO A 78 70.244 6.786 7.022 1.00 0.00 N ATOM 372 CA PRO A 78 69.087 7.058 6.127 1.00 0.00 C ATOM 373 C PRO A 78 69.144 8.467 5.555 1.00 0.00 C ATOM 374 O PRO A 78 69.635 9.394 6.199 1.00 0.00 O ATOM 375 CB PRO A 78 67.870 6.883 7.043 1.00 0.00 C ATOM 376 CG PRO A 78 68.388 7.117 8.423 1.00 0.00 C ATOM 377 CD PRO A 78 69.833 6.642 8.424 1.00 0.00 C ATOM 0 HA PRO A 78 69.065 6.396 5.261 1.00 0.00 H new ATOM 0 HB2 PRO A 78 67.082 7.593 6.792 1.00 0.00 H new ATOM 0 HB3 PRO A 78 67.443 5.885 6.946 1.00 0.00 H new ATOM 0 HG2 PRO A 78 68.326 8.173 8.688 1.00 0.00 H new ATOM 0 HG3 PRO A 78 67.798 6.569 9.158 1.00 0.00 H new ATOM 0 HD2 PRO A 78 70.453 7.245 9.088 1.00 0.00 H new ATOM 0 HD3 PRO A 78 69.915 5.609 8.762 1.00 0.00 H new ATOM 385 N ARG A 79 68.645 8.614 4.339 1.00 0.00 N ATOM 386 CA ARG A 79 68.650 9.907 3.672 1.00 0.00 C ATOM 387 C ARG A 79 67.329 10.145 2.957 1.00 0.00 C ATOM 388 O ARG A 79 66.579 9.207 2.699 1.00 0.00 O ATOM 389 CB ARG A 79 69.790 9.952 2.664 1.00 0.00 C ATOM 390 CG ARG A 79 70.858 10.935 3.135 1.00 0.00 C ATOM 391 CD ARG A 79 72.002 10.952 2.123 1.00 0.00 C ATOM 392 NE ARG A 79 73.151 10.224 2.642 1.00 0.00 N ATOM 393 CZ ARG A 79 74.002 10.780 3.505 1.00 0.00 C ATOM 394 NH1 ARG A 79 73.830 12.012 3.917 1.00 0.00 N ATOM 395 NH2 ARG A 79 75.017 10.088 3.944 1.00 0.00 N ATOM 0 H ARG A 79 68.232 7.857 3.794 1.00 0.00 H new ATOM 0 HA ARG A 79 68.787 10.688 4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 79 70.223 8.959 2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 79 69.412 10.252 1.687 1.00 0.00 H new ATOM 0 HG2 ARG A 79 70.432 11.933 3.238 1.00 0.00 H new ATOM 0 HG3 ARG A 79 71.229 10.645 4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 79 71.673 10.504 1.185 1.00 0.00 H new ATOM 0 HD3 ARG A 79 72.285 11.981 1.902 1.00 0.00 H new ATOM 0 HE ARG A 79 73.309 9.263 2.337 1.00 0.00 H new ATOM 0 HH11 ARG A 79 73.038 12.557 3.577 1.00 0.00 H new ATOM 0 HH12 ARG A 79 74.488 12.426 4.577 1.00 0.00 H new ATOM 0 HH21 ARG A 79 75.155 9.128 3.627 1.00 0.00 H new ATOM 0 HH22 ARG A 79 75.672 10.507 4.604 1.00 0.00 H new ATOM 409 N LEU A 80 67.050 11.406 2.644 1.00 0.00 N ATOM 410 CA LEU A 80 65.807 11.748 1.964 1.00 0.00 C ATOM 411 C LEU A 80 66.083 12.349 0.585 1.00 0.00 C ATOM 412 O LEU A 80 66.804 13.338 0.460 1.00 0.00 O ATOM 413 CB LEU A 80 65.024 12.753 2.806 1.00 0.00 C ATOM 414 CG LEU A 80 63.671 13.021 2.160 1.00 0.00 C ATOM 415 CD1 LEU A 80 62.795 11.784 2.299 1.00 0.00 C ATOM 416 CD2 LEU A 80 63.009 14.212 2.854 1.00 0.00 C ATOM 0 H LEU A 80 67.659 12.199 2.847 1.00 0.00 H new ATOM 0 HA LEU A 80 65.225 10.835 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 80 64.885 12.366 3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 80 65.586 13.683 2.895 1.00 0.00 H new ATOM 0 HG LEU A 80 63.802 13.250 1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 80 61.825 11.971 1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 80 63.276 10.940 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 80 62.656 11.553 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 80 62.040 14.408 2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 80 62.871 13.986 3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 80 63.644 15.092 2.751 1.00 0.00 H new ATOM 428 N LEU A 81 65.490 11.751 -0.442 1.00 0.00 N ATOM 429 CA LEU A 81 65.660 12.235 -1.811 1.00 0.00 C ATOM 430 C LEU A 81 64.623 13.305 -2.158 1.00 0.00 C ATOM 431 O LEU A 81 63.595 13.431 -1.494 1.00 0.00 O ATOM 432 CB LEU A 81 65.516 11.074 -2.790 1.00 0.00 C ATOM 433 CG LEU A 81 66.895 10.614 -3.253 1.00 0.00 C ATOM 434 CD1 LEU A 81 67.709 10.140 -2.049 1.00 0.00 C ATOM 435 CD2 LEU A 81 66.726 9.464 -4.250 1.00 0.00 C ATOM 0 H LEU A 81 64.888 10.932 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 81 66.655 12.675 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 81 64.988 10.248 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 81 64.918 11.382 -3.648 1.00 0.00 H new ATOM 0 HG LEU A 81 67.419 11.441 -3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 81 68.694 9.812 -2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 81 67.820 10.960 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 81 67.194 9.310 -1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 81 67.706 9.128 -4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 81 66.205 8.637 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 81 66.146 9.807 -5.107 1.00 0.00 H new ATOM 447 N PRO A 82 64.869 14.056 -3.200 1.00 0.00 N ATOM 448 CA PRO A 82 63.937 15.123 -3.674 1.00 0.00 C ATOM 449 C PRO A 82 62.653 14.551 -4.274 1.00 0.00 C ATOM 450 O PRO A 82 61.706 15.287 -4.551 1.00 0.00 O ATOM 451 CB PRO A 82 64.746 15.869 -4.735 1.00 0.00 C ATOM 452 CG PRO A 82 65.766 14.895 -5.215 1.00 0.00 C ATOM 453 CD PRO A 82 66.075 13.978 -4.043 1.00 0.00 C ATOM 0 HA PRO A 82 63.604 15.762 -2.856 1.00 0.00 H new ATOM 0 HB2 PRO A 82 64.107 16.203 -5.553 1.00 0.00 H new ATOM 0 HB3 PRO A 82 65.218 16.757 -4.316 1.00 0.00 H new ATOM 0 HG2 PRO A 82 65.388 14.325 -6.064 1.00 0.00 H new ATOM 0 HG3 PRO A 82 66.666 15.410 -5.552 1.00 0.00 H new ATOM 0 HD2 PRO A 82 66.265 12.957 -4.374 1.00 0.00 H new ATOM 0 HD3 PRO A 82 66.962 14.307 -3.502 1.00 0.00 H new ATOM 461 N CYS A 83 62.622 13.235 -4.459 1.00 0.00 N ATOM 462 CA CYS A 83 61.450 12.578 -5.012 1.00 0.00 C ATOM 463 C CYS A 83 60.532 12.115 -3.889 1.00 0.00 C ATOM 464 O CYS A 83 59.500 11.494 -4.143 1.00 0.00 O ATOM 465 CB CYS A 83 61.873 11.387 -5.875 1.00 0.00 C ATOM 466 SG CYS A 83 62.901 10.267 -4.895 1.00 0.00 S ATOM 0 H CYS A 83 63.394 12.607 -4.234 1.00 0.00 H new ATOM 0 HA CYS A 83 60.909 13.288 -5.637 1.00 0.00 H new ATOM 0 HB2 CYS A 83 60.993 10.861 -6.244 1.00 0.00 H new ATOM 0 HB3 CYS A 83 62.425 11.735 -6.748 1.00 0.00 H new ATOM 471 N LEU A 84 60.923 12.427 -2.650 1.00 0.00 N ATOM 472 CA LEU A 84 60.144 12.060 -1.481 1.00 0.00 C ATOM 473 C LEU A 84 60.263 10.576 -1.193 1.00 0.00 C ATOM 474 O LEU A 84 59.291 9.910 -0.842 1.00 0.00 O ATOM 475 CB LEU A 84 58.673 12.437 -1.674 1.00 0.00 C ATOM 476 CG LEU A 84 58.090 12.982 -0.373 1.00 0.00 C ATOM 477 CD1 LEU A 84 56.631 13.376 -0.608 1.00 0.00 C ATOM 478 CD2 LEU A 84 58.160 11.902 0.710 1.00 0.00 C ATOM 0 H LEU A 84 61.781 12.936 -2.438 1.00 0.00 H new ATOM 0 HA LEU A 84 60.542 12.611 -0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 84 58.583 13.185 -2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 84 58.106 11.564 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 84 58.660 13.853 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 84 56.206 13.767 0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 84 56.581 14.142 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 84 56.065 12.501 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 84 57.744 12.291 1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 84 57.587 11.031 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 84 59.199 11.614 0.870 1.00 0.00 H new ATOM 490 N HIS A 85 61.470 10.069 -1.325 1.00 0.00 N ATOM 491 CA HIS A 85 61.720 8.671 -1.055 1.00 0.00 C ATOM 492 C HIS A 85 62.958 8.534 -0.191 1.00 0.00 C ATOM 493 O HIS A 85 64.053 8.934 -0.585 1.00 0.00 O ATOM 494 CB HIS A 85 61.919 7.916 -2.361 1.00 0.00 C ATOM 495 CG HIS A 85 60.678 8.038 -3.204 1.00 0.00 C ATOM 496 ND1 HIS A 85 60.729 8.254 -4.571 1.00 0.00 N ATOM 497 CD2 HIS A 85 59.345 7.992 -2.884 1.00 0.00 C ATOM 498 CE1 HIS A 85 59.463 8.330 -5.018 1.00 0.00 C ATOM 499 NE2 HIS A 85 58.579 8.178 -4.030 1.00 0.00 N ATOM 0 H HIS A 85 62.290 10.602 -1.616 1.00 0.00 H new ATOM 0 HA HIS A 85 60.863 8.250 -0.529 1.00 0.00 H new ATOM 0 HB2 HIS A 85 62.778 8.318 -2.899 1.00 0.00 H new ATOM 0 HB3 HIS A 85 62.132 6.866 -2.158 1.00 0.00 H new ATOM 0 HD2 HIS A 85 58.950 7.835 -1.891 1.00 0.00 H new ATOM 0 HE1 HIS A 85 59.194 8.494 -6.051 1.00 0.00 H new ATOM 0 HE2 HIS A 85 57.562 8.195 -4.100 1.00 0.00 H new ATOM 507 N SER A 86 62.778 7.974 0.988 1.00 0.00 N ATOM 508 CA SER A 86 63.897 7.797 1.900 1.00 0.00 C ATOM 509 C SER A 86 64.607 6.485 1.607 1.00 0.00 C ATOM 510 O SER A 86 63.972 5.465 1.335 1.00 0.00 O ATOM 511 CB SER A 86 63.416 7.785 3.346 1.00 0.00 C ATOM 512 OG SER A 86 62.687 8.976 3.614 1.00 0.00 O ATOM 0 H SER A 86 61.881 7.636 1.337 1.00 0.00 H new ATOM 0 HA SER A 86 64.585 8.630 1.756 1.00 0.00 H new ATOM 0 HB2 SER A 86 62.786 6.913 3.524 1.00 0.00 H new ATOM 0 HB3 SER A 86 64.267 7.707 4.023 1.00 0.00 H new ATOM 0 HG SER A 86 62.376 8.967 4.543 1.00 0.00 H new ATOM 518 N ALA A 87 65.927 6.524 1.656 1.00 0.00 N ATOM 519 CA ALA A 87 66.731 5.335 1.384 1.00 0.00 C ATOM 520 C ALA A 87 68.060 5.393 2.137 1.00 0.00 C ATOM 521 O ALA A 87 68.458 6.446 2.629 1.00 0.00 O ATOM 522 CB ALA A 87 66.991 5.217 -0.120 1.00 0.00 C ATOM 0 H ALA A 87 66.467 7.360 1.880 1.00 0.00 H new ATOM 0 HA ALA A 87 66.179 4.460 1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.591 4.329 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 87 66.041 5.138 -0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 87 67.526 6.101 -0.467 1.00 0.00 H new ATOM 528 N CYS A 88 68.740 4.252 2.218 1.00 0.00 N ATOM 529 CA CYS A 88 70.026 4.180 2.907 1.00 0.00 C ATOM 530 C CYS A 88 71.085 4.910 2.092 1.00 0.00 C ATOM 531 O CYS A 88 71.116 4.786 0.879 1.00 0.00 O ATOM 532 CB CYS A 88 70.460 2.720 3.076 1.00 0.00 C ATOM 533 SG CYS A 88 69.022 1.674 3.408 1.00 0.00 S ATOM 0 H CYS A 88 68.424 3.369 1.817 1.00 0.00 H new ATOM 0 HA CYS A 88 69.919 4.644 3.888 1.00 0.00 H new ATOM 0 HB2 CYS A 88 70.967 2.377 2.174 1.00 0.00 H new ATOM 0 HB3 CYS A 88 71.175 2.638 3.895 1.00 0.00 H new ATOM 538 N SER A 89 71.960 5.654 2.757 1.00 0.00 N ATOM 539 CA SER A 89 73.000 6.389 2.055 1.00 0.00 C ATOM 540 C SER A 89 73.805 5.448 1.173 1.00 0.00 C ATOM 541 O SER A 89 74.098 5.765 0.021 1.00 0.00 O ATOM 542 CB SER A 89 73.931 7.055 3.069 1.00 0.00 C ATOM 543 OG SER A 89 74.979 7.724 2.380 1.00 0.00 O ATOM 0 H SER A 89 71.970 5.763 3.771 1.00 0.00 H new ATOM 0 HA SER A 89 72.533 7.150 1.430 1.00 0.00 H new ATOM 0 HB2 SER A 89 73.373 7.764 3.681 1.00 0.00 H new ATOM 0 HB3 SER A 89 74.345 6.307 3.745 1.00 0.00 H new ATOM 0 HG SER A 89 75.825 7.582 2.854 1.00 0.00 H new ATOM 549 N ALA A 90 74.145 4.282 1.704 1.00 0.00 N ATOM 550 CA ALA A 90 74.896 3.308 0.928 1.00 0.00 C ATOM 551 C ALA A 90 74.084 2.899 -0.298 1.00 0.00 C ATOM 552 O ALA A 90 74.626 2.747 -1.390 1.00 0.00 O ATOM 553 CB ALA A 90 75.212 2.080 1.781 1.00 0.00 C ATOM 0 H ALA A 90 73.917 3.991 2.655 1.00 0.00 H new ATOM 0 HA ALA A 90 75.836 3.757 0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 90 75.774 1.359 1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 90 75.805 2.380 2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 90 74.282 1.624 2.120 1.00 0.00 H new ATOM 559 N CYS A 91 72.775 2.735 -0.104 1.00 0.00 N ATOM 560 CA CYS A 91 71.881 2.363 -1.191 1.00 0.00 C ATOM 561 C CYS A 91 71.771 3.498 -2.204 1.00 0.00 C ATOM 562 O CYS A 91 71.638 3.268 -3.406 1.00 0.00 O ATOM 563 CB CYS A 91 70.504 2.002 -0.636 1.00 0.00 C ATOM 564 SG CYS A 91 70.636 0.437 0.262 1.00 0.00 S ATOM 0 H CYS A 91 72.314 2.855 0.798 1.00 0.00 H new ATOM 0 HA CYS A 91 72.291 1.491 -1.700 1.00 0.00 H new ATOM 0 HB2 CYS A 91 70.145 2.789 0.027 1.00 0.00 H new ATOM 0 HB3 CYS A 91 69.781 1.913 -1.447 1.00 0.00 H new ATOM 569 N LEU A 92 71.820 4.722 -1.699 1.00 0.00 N ATOM 570 CA LEU A 92 71.724 5.904 -2.541 1.00 0.00 C ATOM 571 C LEU A 92 72.922 6.002 -3.485 1.00 0.00 C ATOM 572 O LEU A 92 72.803 6.516 -4.597 1.00 0.00 O ATOM 573 CB LEU A 92 71.631 7.166 -1.671 1.00 0.00 C ATOM 574 CG LEU A 92 70.290 7.201 -0.927 1.00 0.00 C ATOM 575 CD1 LEU A 92 70.241 8.438 -0.039 1.00 0.00 C ATOM 576 CD2 LEU A 92 69.132 7.238 -1.918 1.00 0.00 C ATOM 0 H LEU A 92 71.926 4.922 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 92 70.821 5.820 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 92 72.453 7.184 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 92 71.732 8.054 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 92 70.199 6.302 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 92 69.290 8.467 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 92 71.058 8.401 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 92 70.341 9.332 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 92 68.188 7.263 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 92 69.215 8.128 -2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 92 69.164 6.350 -2.549 1.00 0.00 H new ATOM 588 N GLY A 93 74.073 5.513 -3.042 1.00 0.00 N ATOM 589 CA GLY A 93 75.273 5.562 -3.873 1.00 0.00 C ATOM 590 C GLY A 93 75.002 5.023 -5.282 1.00 0.00 C ATOM 591 O GLY A 93 75.099 5.767 -6.262 1.00 0.00 O ATOM 0 H GLY A 93 74.203 5.083 -2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 93 75.630 6.590 -3.938 1.00 0.00 H new ATOM 0 HA3 GLY A 93 76.065 4.978 -3.405 1.00 0.00 H new ATOM 595 N PRO A 94 74.649 3.765 -5.411 1.00 0.00 N ATOM 596 CA PRO A 94 74.353 3.146 -6.740 1.00 0.00 C ATOM 597 C PRO A 94 73.148 3.789 -7.424 1.00 0.00 C ATOM 598 O PRO A 94 72.933 3.606 -8.622 1.00 0.00 O ATOM 599 CB PRO A 94 74.087 1.674 -6.421 1.00 0.00 C ATOM 600 CG PRO A 94 73.739 1.638 -4.977 1.00 0.00 C ATOM 601 CD PRO A 94 74.497 2.788 -4.320 1.00 0.00 C ATOM 0 HA PRO A 94 75.177 3.284 -7.440 1.00 0.00 H new ATOM 0 HB2 PRO A 94 73.273 1.281 -7.031 1.00 0.00 H new ATOM 0 HB3 PRO A 94 74.965 1.062 -6.629 1.00 0.00 H new ATOM 0 HG2 PRO A 94 72.664 1.750 -4.834 1.00 0.00 H new ATOM 0 HG3 PRO A 94 74.022 0.683 -4.533 1.00 0.00 H new ATOM 0 HD2 PRO A 94 73.942 3.207 -3.480 1.00 0.00 H new ATOM 0 HD3 PRO A 94 75.463 2.464 -3.934 1.00 0.00 H new ATOM 609 N ALA A 95 72.367 4.544 -6.656 1.00 0.00 N ATOM 610 CA ALA A 95 71.190 5.212 -7.200 1.00 0.00 C ATOM 611 C ALA A 95 71.587 6.163 -8.325 1.00 0.00 C ATOM 612 O ALA A 95 70.856 6.320 -9.306 1.00 0.00 O ATOM 613 CB ALA A 95 70.469 5.993 -6.098 1.00 0.00 C ATOM 0 H ALA A 95 72.527 4.707 -5.662 1.00 0.00 H new ATOM 0 HA ALA A 95 70.519 4.452 -7.600 1.00 0.00 H new ATOM 0 HB1 ALA A 95 69.592 6.487 -6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 95 70.158 5.307 -5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 95 71.143 6.741 -5.682 1.00 0.00 H new ATOM 619 N ALA A 96 72.742 6.808 -8.175 1.00 0.00 N ATOM 620 CA ALA A 96 73.210 7.745 -9.189 1.00 0.00 C ATOM 621 C ALA A 96 73.768 6.983 -10.404 1.00 0.00 C ATOM 622 O ALA A 96 74.682 6.173 -10.252 1.00 0.00 O ATOM 623 CB ALA A 96 74.306 8.640 -8.606 1.00 0.00 C ATOM 0 H ALA A 96 73.362 6.700 -7.372 1.00 0.00 H new ATOM 0 HA ALA A 96 72.368 8.360 -9.508 1.00 0.00 H new ATOM 0 HB1 ALA A 96 74.651 9.337 -9.369 1.00 0.00 H new ATOM 0 HB2 ALA A 96 73.908 9.198 -7.758 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.141 8.023 -8.274 1.00 0.00 H new ATOM 629 N PRO A 97 73.254 7.211 -11.598 1.00 0.00 N ATOM 630 CA PRO A 97 73.747 6.508 -12.822 1.00 0.00 C ATOM 631 C PRO A 97 75.134 6.986 -13.251 1.00 0.00 C ATOM 632 O PRO A 97 75.539 8.103 -12.937 1.00 0.00 O ATOM 633 CB PRO A 97 72.703 6.843 -13.881 1.00 0.00 C ATOM 634 CG PRO A 97 72.103 8.131 -13.445 1.00 0.00 C ATOM 635 CD PRO A 97 72.161 8.146 -11.923 1.00 0.00 C ATOM 0 HA PRO A 97 73.861 5.437 -12.655 1.00 0.00 H new ATOM 0 HB2 PRO A 97 73.158 6.935 -14.867 1.00 0.00 H new ATOM 0 HB3 PRO A 97 71.947 6.060 -13.950 1.00 0.00 H new ATOM 0 HG2 PRO A 97 72.653 8.975 -13.862 1.00 0.00 H new ATOM 0 HG3 PRO A 97 71.074 8.217 -13.794 1.00 0.00 H new ATOM 0 HD2 PRO A 97 72.365 9.146 -11.541 1.00 0.00 H new ATOM 0 HD3 PRO A 97 71.217 7.824 -11.484 1.00 0.00 H new ATOM 643 N ALA A 98 75.852 6.130 -13.974 1.00 0.00 N ATOM 644 CA ALA A 98 77.191 6.475 -14.444 1.00 0.00 C ATOM 645 C ALA A 98 77.448 5.867 -15.820 1.00 0.00 C ATOM 646 O ALA A 98 76.829 4.870 -16.193 1.00 0.00 O ATOM 647 CB ALA A 98 78.240 5.964 -13.456 1.00 0.00 C ATOM 0 H ALA A 98 75.533 5.200 -14.245 1.00 0.00 H new ATOM 0 HA ALA A 98 77.261 7.560 -14.518 1.00 0.00 H new ATOM 0 HB1 ALA A 98 79.236 6.226 -13.815 1.00 0.00 H new ATOM 0 HB2 ALA A 98 78.074 6.421 -12.480 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.159 4.881 -13.368 1.00 0.00 H new ATOM 653 N ALA A 99 78.361 6.474 -16.573 1.00 0.00 N ATOM 654 CA ALA A 99 78.681 5.982 -17.907 1.00 0.00 C ATOM 655 C ALA A 99 79.167 4.538 -17.842 1.00 0.00 C ATOM 656 O ALA A 99 80.010 4.191 -17.014 1.00 0.00 O ATOM 657 CB ALA A 99 79.767 6.858 -18.539 1.00 0.00 C ATOM 0 H ALA A 99 78.887 7.299 -16.285 1.00 0.00 H new ATOM 0 HA ALA A 99 77.778 6.024 -18.516 1.00 0.00 H new ATOM 0 HB1 ALA A 99 80.001 6.485 -19.536 1.00 0.00 H new ATOM 0 HB2 ALA A 99 79.410 7.885 -18.611 1.00 0.00 H new ATOM 0 HB3 ALA A 99 80.664 6.828 -17.920 1.00 0.00 H new ATOM 663 N ALA A 100 78.629 3.700 -18.723 1.00 0.00 N ATOM 664 CA ALA A 100 79.013 2.294 -18.761 1.00 0.00 C ATOM 665 C ALA A 100 80.493 2.146 -19.097 1.00 0.00 C ATOM 666 O ALA A 100 81.187 1.304 -18.528 1.00 0.00 O ATOM 667 CB ALA A 100 78.174 1.554 -19.804 1.00 0.00 C ATOM 0 H ALA A 100 77.930 3.968 -19.416 1.00 0.00 H new ATOM 0 HA ALA A 100 78.835 1.863 -17.776 1.00 0.00 H new ATOM 0 HB1 ALA A 100 78.466 0.504 -19.827 1.00 0.00 H new ATOM 0 HB2 ALA A 100 77.118 1.632 -19.543 1.00 0.00 H new ATOM 0 HB3 ALA A 100 78.339 1.998 -20.786 1.00 0.00 H new ATOM 673 N ASN A 101 80.965 2.967 -20.028 1.00 0.00 N ATOM 674 CA ASN A 101 82.362 2.917 -20.440 1.00 0.00 C ATOM 675 C ASN A 101 83.089 4.195 -20.033 1.00 0.00 C ATOM 676 O ASN A 101 82.483 5.261 -19.932 1.00 0.00 O ATOM 677 CB ASN A 101 82.453 2.739 -21.957 1.00 0.00 C ATOM 678 CG ASN A 101 81.684 1.493 -22.384 1.00 0.00 C ATOM 679 OD1 ASN A 101 80.748 1.581 -23.178 1.00 0.00 O ATOM 680 ND2 ASN A 101 82.025 0.328 -21.903 1.00 0.00 N ATOM 0 H ASN A 101 80.405 3.671 -20.509 1.00 0.00 H new ATOM 0 HA ASN A 101 82.836 2.070 -19.944 1.00 0.00 H new ATOM 0 HB2 ASN A 101 82.047 3.617 -22.459 1.00 0.00 H new ATOM 0 HB3 ASN A 101 83.497 2.653 -22.259 1.00 0.00 H new ATOM 0 HD21 ASN A 101 81.516 -0.509 -22.185 1.00 0.00 H new ATOM 0 HD22 ASN A 101 82.801 0.255 -21.245 1.00 0.00 H new ATOM 687 N SER A 102 84.393 4.079 -19.804 1.00 0.00 N ATOM 688 CA SER A 102 85.197 5.231 -19.411 1.00 0.00 C ATOM 689 C SER A 102 85.150 6.307 -20.492 1.00 0.00 C ATOM 690 O SER A 102 85.029 7.495 -20.193 1.00 0.00 O ATOM 691 CB SER A 102 86.644 4.801 -19.179 1.00 0.00 C ATOM 692 OG SER A 102 87.418 5.935 -18.810 1.00 0.00 O ATOM 0 H SER A 102 84.913 3.205 -19.883 1.00 0.00 H new ATOM 0 HA SER A 102 84.788 5.641 -18.487 1.00 0.00 H new ATOM 0 HB2 SER A 102 86.689 4.045 -18.395 1.00 0.00 H new ATOM 0 HB3 SER A 102 87.050 4.348 -20.083 1.00 0.00 H new ATOM 0 HG SER A 102 88.347 5.662 -18.659 1.00 0.00 H new ATOM 698 N SER A 103 85.251 5.883 -21.746 1.00 0.00 N ATOM 699 CA SER A 103 85.222 6.821 -22.863 1.00 0.00 C ATOM 700 C SER A 103 83.829 7.420 -23.026 1.00 0.00 C ATOM 701 O SER A 103 82.844 6.874 -22.527 1.00 0.00 O ATOM 702 CB SER A 103 85.621 6.108 -24.155 1.00 0.00 C ATOM 703 OG SER A 103 84.595 5.195 -24.523 1.00 0.00 O ATOM 0 H SER A 103 85.353 4.904 -22.014 1.00 0.00 H new ATOM 0 HA SER A 103 85.930 7.623 -22.654 1.00 0.00 H new ATOM 0 HB2 SER A 103 85.780 6.835 -24.951 1.00 0.00 H new ATOM 0 HB3 SER A 103 86.563 5.578 -24.015 1.00 0.00 H new ATOM 0 HG SER A 103 84.847 4.737 -25.352 1.00 0.00 H new ATOM 709 N GLY A 104 83.758 8.544 -23.731 1.00 0.00 N ATOM 710 CA GLY A 104 82.483 9.214 -23.963 1.00 0.00 C ATOM 711 C GLY A 104 81.815 8.705 -25.240 1.00 0.00 C ATOM 712 O GLY A 104 80.856 9.304 -25.726 1.00 0.00 O ATOM 0 H GLY A 104 84.564 9.009 -24.150 1.00 0.00 H new ATOM 0 HA2 GLY A 104 81.822 9.048 -23.113 1.00 0.00 H new ATOM 0 HA3 GLY A 104 82.643 10.290 -24.037 1.00 0.00 H new ATOM 716 N ASP A 105 82.329 7.602 -25.782 1.00 0.00 N ATOM 717 CA ASP A 105 81.775 7.032 -27.005 1.00 0.00 C ATOM 718 C ASP A 105 80.313 6.646 -26.806 1.00 0.00 C ATOM 719 O ASP A 105 79.486 6.838 -27.697 1.00 0.00 O ATOM 720 CB ASP A 105 82.578 5.794 -27.408 1.00 0.00 C ATOM 721 CG ASP A 105 83.954 6.208 -27.919 1.00 0.00 C ATOM 722 OD1 ASP A 105 84.138 7.384 -28.182 1.00 0.00 O ATOM 723 OD2 ASP A 105 84.805 5.341 -28.039 1.00 0.00 O ATOM 0 H ASP A 105 83.122 7.090 -25.396 1.00 0.00 H new ATOM 0 HA ASP A 105 81.835 7.782 -27.793 1.00 0.00 H new ATOM 0 HB2 ASP A 105 82.684 5.125 -26.554 1.00 0.00 H new ATOM 0 HB3 ASP A 105 82.045 5.241 -28.181 1.00 0.00 H new ATOM 728 N GLY A 106 80.000 6.101 -25.635 1.00 0.00 N ATOM 729 CA GLY A 106 78.631 5.692 -25.335 1.00 0.00 C ATOM 730 C GLY A 106 77.900 6.771 -24.544 1.00 0.00 C ATOM 731 O GLY A 106 78.502 7.476 -23.734 1.00 0.00 O ATOM 0 H GLY A 106 80.669 5.933 -24.883 1.00 0.00 H new ATOM 0 HA2 GLY A 106 78.096 5.491 -26.263 1.00 0.00 H new ATOM 0 HA3 GLY A 106 78.642 4.763 -24.765 1.00 0.00 H new ATOM 735 N GLY A 107 76.599 6.895 -24.785 1.00 0.00 N ATOM 736 CA GLY A 107 75.794 7.893 -24.089 1.00 0.00 C ATOM 737 C GLY A 107 75.565 7.492 -22.634 1.00 0.00 C ATOM 738 O GLY A 107 75.756 6.333 -22.263 1.00 0.00 O ATOM 0 H GLY A 107 76.082 6.322 -25.452 1.00 0.00 H new ATOM 0 HA2 GLY A 107 76.294 8.861 -24.129 1.00 0.00 H new ATOM 0 HA3 GLY A 107 74.835 8.008 -24.594 1.00 0.00 H new ATOM 742 N ALA A 108 75.155 8.456 -21.816 1.00 0.00 N ATOM 743 CA ALA A 108 74.904 8.191 -20.403 1.00 0.00 C ATOM 744 C ALA A 108 73.792 9.094 -19.877 1.00 0.00 C ATOM 745 O ALA A 108 73.559 10.181 -20.405 1.00 0.00 O ATOM 746 CB ALA A 108 76.181 8.423 -19.593 1.00 0.00 C ATOM 0 H ALA A 108 74.990 9.421 -22.104 1.00 0.00 H new ATOM 0 HA ALA A 108 74.592 7.152 -20.297 1.00 0.00 H new ATOM 0 HB1 ALA A 108 75.985 8.223 -18.540 1.00 0.00 H new ATOM 0 HB2 ALA A 108 76.965 7.754 -19.950 1.00 0.00 H new ATOM 0 HB3 ALA A 108 76.504 9.457 -19.712 1.00 0.00 H new ATOM 752 N ALA A 109 73.107 8.634 -18.835 1.00 0.00 N ATOM 753 CA ALA A 109 72.019 9.407 -18.247 1.00 0.00 C ATOM 754 C ALA A 109 72.358 9.803 -16.814 1.00 0.00 C ATOM 755 O ALA A 109 73.019 9.053 -16.097 1.00 0.00 O ATOM 756 CB ALA A 109 70.727 8.587 -18.265 1.00 0.00 C ATOM 0 H ALA A 109 73.284 7.737 -18.383 1.00 0.00 H new ATOM 0 HA ALA A 109 71.880 10.313 -18.837 1.00 0.00 H new ATOM 0 HB1 ALA A 109 69.919 9.171 -17.824 1.00 0.00 H new ATOM 0 HB2 ALA A 109 70.472 8.333 -19.294 1.00 0.00 H new ATOM 0 HB3 ALA A 109 70.869 7.672 -17.690 1.00 0.00 H new ATOM 762 N GLY A 110 71.911 10.988 -16.408 1.00 0.00 N ATOM 763 CA GLY A 110 72.177 11.481 -15.064 1.00 0.00 C ATOM 764 C GLY A 110 73.673 11.597 -14.835 1.00 0.00 C ATOM 765 O GLY A 110 74.387 12.190 -15.644 1.00 0.00 O ATOM 0 H GLY A 110 71.364 11.622 -16.991 1.00 0.00 H new ATOM 0 HA2 GLY A 110 71.704 12.453 -14.925 1.00 0.00 H new ATOM 0 HA3 GLY A 110 71.740 10.806 -14.328 1.00 0.00 H new ATOM 769 N ASP A 111 74.130 11.023 -13.732 1.00 0.00 N ATOM 770 CA ASP A 111 75.546 11.047 -13.388 1.00 0.00 C ATOM 771 C ASP A 111 75.983 12.450 -12.973 1.00 0.00 C ATOM 772 O ASP A 111 76.644 13.156 -13.734 1.00 0.00 O ATOM 773 CB ASP A 111 76.389 10.571 -14.573 1.00 0.00 C ATOM 774 CG ASP A 111 77.759 10.108 -14.090 1.00 0.00 C ATOM 775 OD1 ASP A 111 77.961 10.073 -12.888 1.00 0.00 O ATOM 776 OD2 ASP A 111 78.585 9.793 -14.931 1.00 0.00 O ATOM 0 H ASP A 111 73.541 10.534 -13.058 1.00 0.00 H new ATOM 0 HA ASP A 111 75.699 10.373 -12.546 1.00 0.00 H new ATOM 0 HB2 ASP A 111 75.881 9.755 -15.086 1.00 0.00 H new ATOM 0 HB3 ASP A 111 76.504 11.379 -15.295 1.00 0.00 H new ATOM 781 N GLY A 112 75.591 12.852 -11.768 1.00 0.00 N ATOM 782 CA GLY A 112 75.922 14.174 -11.264 1.00 0.00 C ATOM 783 C GLY A 112 74.686 15.059 -11.263 1.00 0.00 C ATOM 784 O GLY A 112 74.643 16.086 -10.588 1.00 0.00 O ATOM 0 H GLY A 112 75.044 12.279 -11.125 1.00 0.00 H new ATOM 0 HA2 GLY A 112 76.323 14.096 -10.254 1.00 0.00 H new ATOM 0 HA3 GLY A 112 76.699 14.623 -11.882 1.00 0.00 H new ATOM 788 N THR A 113 73.674 14.642 -12.017 1.00 0.00 N ATOM 789 CA THR A 113 72.434 15.381 -12.091 1.00 0.00 C ATOM 790 C THR A 113 71.286 14.559 -11.511 1.00 0.00 C ATOM 791 O THR A 113 71.306 14.203 -10.334 1.00 0.00 O ATOM 792 CB THR A 113 72.152 15.803 -13.536 1.00 0.00 C ATOM 793 OG1 THR A 113 72.065 14.648 -14.356 1.00 0.00 O ATOM 794 CG2 THR A 113 73.272 16.711 -14.037 1.00 0.00 C ATOM 0 H THR A 113 73.696 13.794 -12.584 1.00 0.00 H new ATOM 0 HA THR A 113 72.526 16.287 -11.492 1.00 0.00 H new ATOM 0 HB THR A 113 71.209 16.348 -13.577 1.00 0.00 H new ATOM 0 HG1 THR A 113 71.883 14.916 -15.281 1.00 0.00 H new ATOM 0 HG21 THR A 113 73.067 17.008 -15.065 1.00 0.00 H new ATOM 0 HG22 THR A 113 73.330 17.599 -13.407 1.00 0.00 H new ATOM 0 HG23 THR A 113 74.220 16.175 -13.997 1.00 0.00 H new ATOM 802 N VAL A 114 70.284 14.265 -12.322 1.00 0.00 N ATOM 803 CA VAL A 114 69.142 13.511 -11.848 1.00 0.00 C ATOM 804 C VAL A 114 69.580 12.157 -11.322 1.00 0.00 C ATOM 805 O VAL A 114 70.486 11.525 -11.864 1.00 0.00 O ATOM 806 CB VAL A 114 68.157 13.316 -12.995 1.00 0.00 C ATOM 807 CG1 VAL A 114 67.961 14.637 -13.744 1.00 0.00 C ATOM 808 CG2 VAL A 114 68.701 12.258 -13.958 1.00 0.00 C ATOM 0 H VAL A 114 70.240 14.536 -13.304 1.00 0.00 H new ATOM 0 HA VAL A 114 68.666 14.063 -11.038 1.00 0.00 H new ATOM 0 HB VAL A 114 67.198 12.987 -12.593 1.00 0.00 H new ATOM 0 HG11 VAL A 114 67.256 14.490 -14.562 1.00 0.00 H new ATOM 0 HG12 VAL A 114 67.570 15.389 -13.059 1.00 0.00 H new ATOM 0 HG13 VAL A 114 68.917 14.973 -14.145 1.00 0.00 H new ATOM 0 HG21 VAL A 114 67.998 12.117 -14.779 1.00 0.00 H new ATOM 0 HG22 VAL A 114 69.661 12.587 -14.355 1.00 0.00 H new ATOM 0 HG23 VAL A 114 68.832 11.315 -13.427 1.00 0.00 H new ATOM 818 N VAL A 115 68.938 11.727 -10.245 1.00 0.00 N ATOM 819 CA VAL A 115 69.273 10.458 -9.624 1.00 0.00 C ATOM 820 C VAL A 115 68.180 9.430 -9.883 1.00 0.00 C ATOM 821 O VAL A 115 66.991 9.746 -9.838 1.00 0.00 O ATOM 822 CB VAL A 115 69.457 10.646 -8.122 1.00 0.00 C ATOM 823 CG1 VAL A 115 69.895 9.323 -7.491 1.00 0.00 C ATOM 824 CG2 VAL A 115 70.520 11.721 -7.874 1.00 0.00 C ATOM 0 H VAL A 115 68.184 12.238 -9.786 1.00 0.00 H new ATOM 0 HA VAL A 115 70.204 10.096 -10.060 1.00 0.00 H new ATOM 0 HB VAL A 115 68.515 10.960 -7.672 1.00 0.00 H new ATOM 0 HG11 VAL A 115 70.026 9.458 -6.417 1.00 0.00 H new ATOM 0 HG12 VAL A 115 69.133 8.564 -7.671 1.00 0.00 H new ATOM 0 HG13 VAL A 115 70.838 9.003 -7.935 1.00 0.00 H new ATOM 0 HG21 VAL A 115 70.655 11.859 -6.801 1.00 0.00 H new ATOM 0 HG22 VAL A 115 71.464 11.409 -8.321 1.00 0.00 H new ATOM 0 HG23 VAL A 115 70.199 12.661 -8.323 1.00 0.00 H new ATOM 834 N ASP A 116 68.593 8.199 -10.155 1.00 0.00 N ATOM 835 CA ASP A 116 67.644 7.129 -10.421 1.00 0.00 C ATOM 836 C ASP A 116 67.169 6.514 -9.122 1.00 0.00 C ATOM 837 O ASP A 116 67.911 5.808 -8.439 1.00 0.00 O ATOM 838 CB ASP A 116 68.283 6.060 -11.299 1.00 0.00 C ATOM 839 CG ASP A 116 67.293 4.930 -11.554 1.00 0.00 C ATOM 840 OD1 ASP A 116 67.284 3.990 -10.775 1.00 0.00 O ATOM 841 OD2 ASP A 116 66.561 5.017 -12.525 1.00 0.00 O ATOM 0 H ASP A 116 69.573 7.919 -10.197 1.00 0.00 H new ATOM 0 HA ASP A 116 66.787 7.550 -10.947 1.00 0.00 H new ATOM 0 HB2 ASP A 116 68.599 6.498 -12.246 1.00 0.00 H new ATOM 0 HB3 ASP A 116 69.177 5.668 -10.815 1.00 0.00 H new ATOM 846 N CYS A 117 65.926 6.798 -8.794 1.00 0.00 N ATOM 847 CA CYS A 117 65.320 6.293 -7.578 1.00 0.00 C ATOM 848 C CYS A 117 64.514 5.033 -7.897 1.00 0.00 C ATOM 849 O CYS A 117 63.794 5.007 -8.875 1.00 0.00 O ATOM 850 CB CYS A 117 64.382 7.351 -7.019 1.00 0.00 C ATOM 851 SG CYS A 117 64.326 7.246 -5.216 1.00 0.00 S ATOM 0 H CYS A 117 65.309 7.382 -9.359 1.00 0.00 H new ATOM 0 HA CYS A 117 66.097 6.057 -6.851 1.00 0.00 H new ATOM 0 HB2 CYS A 117 64.718 8.342 -7.322 1.00 0.00 H new ATOM 0 HB3 CYS A 117 63.382 7.214 -7.430 1.00 0.00 H new ATOM 856 N PRO A 118 64.597 3.996 -7.122 1.00 0.00 N ATOM 857 CA PRO A 118 63.825 2.756 -7.412 1.00 0.00 C ATOM 858 C PRO A 118 62.324 3.010 -7.552 1.00 0.00 C ATOM 859 O PRO A 118 61.600 2.171 -8.088 1.00 0.00 O ATOM 860 CB PRO A 118 64.086 1.867 -6.206 1.00 0.00 C ATOM 861 CG PRO A 118 65.354 2.369 -5.600 1.00 0.00 C ATOM 862 CD PRO A 118 65.414 3.861 -5.905 1.00 0.00 C ATOM 0 HA PRO A 118 64.134 2.317 -8.361 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.263 1.922 -5.494 1.00 0.00 H new ATOM 0 HB3 PRO A 118 64.181 0.823 -6.503 1.00 0.00 H new ATOM 0 HG2 PRO A 118 65.368 2.191 -4.525 1.00 0.00 H new ATOM 0 HG3 PRO A 118 66.217 1.852 -6.020 1.00 0.00 H new ATOM 0 HD2 PRO A 118 65.012 4.455 -5.084 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.438 4.196 -6.070 1.00 0.00 H new ATOM 870 N VAL A 119 61.854 4.146 -7.055 1.00 0.00 N ATOM 871 CA VAL A 119 60.427 4.451 -7.128 1.00 0.00 C ATOM 872 C VAL A 119 60.088 5.320 -8.340 1.00 0.00 C ATOM 873 O VAL A 119 59.342 4.897 -9.225 1.00 0.00 O ATOM 874 CB VAL A 119 60.003 5.177 -5.856 1.00 0.00 C ATOM 875 CG1 VAL A 119 58.500 5.468 -5.908 1.00 0.00 C ATOM 876 CG2 VAL A 119 60.320 4.303 -4.640 1.00 0.00 C ATOM 0 H VAL A 119 62.425 4.861 -6.605 1.00 0.00 H new ATOM 0 HA VAL A 119 59.889 3.509 -7.231 1.00 0.00 H new ATOM 0 HB VAL A 119 60.547 6.118 -5.775 1.00 0.00 H new ATOM 0 HG11 VAL A 119 58.198 5.987 -4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 119 58.280 6.094 -6.773 1.00 0.00 H new ATOM 0 HG13 VAL A 119 57.950 4.530 -5.990 1.00 0.00 H new ATOM 0 HG21 VAL A 119 60.017 4.822 -3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 119 59.778 3.361 -4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 119 61.391 4.104 -4.604 1.00 0.00 H new ATOM 886 N CYS A 120 60.631 6.533 -8.374 1.00 0.00 N ATOM 887 CA CYS A 120 60.365 7.442 -9.484 1.00 0.00 C ATOM 888 C CYS A 120 61.357 7.216 -10.621 1.00 0.00 C ATOM 889 O CYS A 120 61.043 7.445 -11.789 1.00 0.00 O ATOM 890 CB CYS A 120 60.431 8.895 -9.001 1.00 0.00 C ATOM 891 SG CYS A 120 62.031 9.221 -8.220 1.00 0.00 S ATOM 0 H CYS A 120 61.251 6.906 -7.655 1.00 0.00 H new ATOM 0 HA CYS A 120 59.363 7.239 -9.862 1.00 0.00 H new ATOM 0 HB2 CYS A 120 60.284 9.573 -9.842 1.00 0.00 H new ATOM 0 HB3 CYS A 120 59.626 9.087 -8.292 1.00 0.00 H new ATOM 896 N LYS A 121 62.549 6.755 -10.268 1.00 0.00 N ATOM 897 CA LYS A 121 63.591 6.483 -11.256 1.00 0.00 C ATOM 898 C LYS A 121 63.788 7.681 -12.182 1.00 0.00 C ATOM 899 O LYS A 121 64.254 7.537 -13.312 1.00 0.00 O ATOM 900 CB LYS A 121 63.221 5.232 -12.071 1.00 0.00 C ATOM 901 CG LYS A 121 64.004 4.009 -11.568 1.00 0.00 C ATOM 902 CD LYS A 121 63.040 2.992 -10.947 1.00 0.00 C ATOM 903 CE LYS A 121 63.714 1.621 -10.910 1.00 0.00 C ATOM 904 NZ LYS A 121 62.874 0.670 -10.126 1.00 0.00 N ATOM 0 H LYS A 121 62.821 6.560 -9.304 1.00 0.00 H new ATOM 0 HA LYS A 121 64.530 6.304 -10.732 1.00 0.00 H new ATOM 0 HB2 LYS A 121 62.150 5.043 -11.992 1.00 0.00 H new ATOM 0 HB3 LYS A 121 63.438 5.401 -13.126 1.00 0.00 H new ATOM 0 HG2 LYS A 121 64.548 3.550 -12.393 1.00 0.00 H new ATOM 0 HG3 LYS A 121 64.745 4.319 -10.831 1.00 0.00 H new ATOM 0 HD2 LYS A 121 62.764 3.302 -9.939 1.00 0.00 H new ATOM 0 HD3 LYS A 121 62.120 2.943 -11.529 1.00 0.00 H new ATOM 0 HE2 LYS A 121 63.855 1.247 -11.924 1.00 0.00 H new ATOM 0 HE3 LYS A 121 64.704 1.703 -10.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 63.471 -0.097 -9.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 62.426 1.174 -9.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 62.138 0.269 -10.741 1.00 0.00 H new ATOM 918 N GLN A 122 63.438 8.865 -11.688 1.00 0.00 N ATOM 919 CA GLN A 122 63.591 10.081 -12.474 1.00 0.00 C ATOM 920 C GLN A 122 63.441 11.319 -11.594 1.00 0.00 C ATOM 921 O GLN A 122 62.413 11.508 -10.945 1.00 0.00 O ATOM 922 CB GLN A 122 62.543 10.116 -13.587 1.00 0.00 C ATOM 923 CG GLN A 122 62.750 11.363 -14.447 1.00 0.00 C ATOM 924 CD GLN A 122 61.769 11.353 -15.612 1.00 0.00 C ATOM 925 OE1 GLN A 122 60.670 10.810 -15.495 1.00 0.00 O ATOM 926 NE2 GLN A 122 62.099 11.922 -16.738 1.00 0.00 N ATOM 0 H GLN A 122 63.050 9.006 -10.755 1.00 0.00 H new ATOM 0 HA GLN A 122 64.590 10.082 -12.911 1.00 0.00 H new ATOM 0 HB2 GLN A 122 62.622 9.220 -14.203 1.00 0.00 H new ATOM 0 HB3 GLN A 122 61.541 10.120 -13.157 1.00 0.00 H new ATOM 0 HG2 GLN A 122 62.605 12.260 -13.845 1.00 0.00 H new ATOM 0 HG3 GLN A 122 63.773 11.392 -14.821 1.00 0.00 H new ATOM 0 HE21 GLN A 122 63.009 12.372 -16.835 1.00 0.00 H new ATOM 0 HE22 GLN A 122 61.447 11.917 -17.522 1.00 0.00 H new ATOM 935 N GLN A 123 64.466 12.165 -11.588 1.00 0.00 N ATOM 936 CA GLN A 123 64.429 13.393 -10.798 1.00 0.00 C ATOM 937 C GLN A 123 64.673 14.607 -11.679 1.00 0.00 C ATOM 938 O GLN A 123 65.457 14.551 -12.613 1.00 0.00 O ATOM 939 CB GLN A 123 65.474 13.346 -9.678 1.00 0.00 C ATOM 940 CG GLN A 123 64.794 12.980 -8.355 1.00 0.00 C ATOM 941 CD GLN A 123 63.794 14.070 -7.974 1.00 0.00 C ATOM 942 OE1 GLN A 123 62.620 13.786 -7.745 1.00 0.00 O ATOM 943 NE2 GLN A 123 64.193 15.312 -7.904 1.00 0.00 N ATOM 0 H GLN A 123 65.327 12.026 -12.117 1.00 0.00 H new ATOM 0 HA GLN A 123 63.438 13.476 -10.353 1.00 0.00 H new ATOM 0 HB2 GLN A 123 66.245 12.614 -9.917 1.00 0.00 H new ATOM 0 HB3 GLN A 123 65.969 14.313 -9.589 1.00 0.00 H new ATOM 0 HG2 GLN A 123 64.284 12.021 -8.450 1.00 0.00 H new ATOM 0 HG3 GLN A 123 65.541 12.867 -7.569 1.00 0.00 H new ATOM 0 HE21 GLN A 123 65.167 15.546 -8.094 1.00 0.00 H new ATOM 0 HE22 GLN A 123 63.530 16.048 -7.659 1.00 0.00 H new ATOM 952 N CYS A 124 63.984 15.702 -11.384 1.00 0.00 N ATOM 953 CA CYS A 124 64.142 16.919 -12.171 1.00 0.00 C ATOM 954 C CYS A 124 65.569 17.457 -12.055 1.00 0.00 C ATOM 955 O CYS A 124 66.223 17.737 -13.060 1.00 0.00 O ATOM 956 CB CYS A 124 63.156 17.980 -11.680 1.00 0.00 C ATOM 957 SG CYS A 124 63.314 19.471 -12.695 1.00 0.00 S ATOM 0 H CYS A 124 63.318 15.773 -10.615 1.00 0.00 H new ATOM 0 HA CYS A 124 63.941 16.684 -13.216 1.00 0.00 H new ATOM 0 HB2 CYS A 124 62.137 17.597 -11.734 1.00 0.00 H new ATOM 0 HB3 CYS A 124 63.352 18.217 -10.634 1.00 0.00 H new ATOM 0 HG CYS A 124 63.758 20.449 -11.963 1.00 0.00 H new ATOM 963 N PHE A 125 66.037 17.600 -10.819 1.00 0.00 N ATOM 964 CA PHE A 125 67.384 18.109 -10.564 1.00 0.00 C ATOM 965 C PHE A 125 67.995 17.465 -9.325 1.00 0.00 C ATOM 966 O PHE A 125 67.344 16.684 -8.631 1.00 0.00 O ATOM 967 CB PHE A 125 67.346 19.622 -10.377 1.00 0.00 C ATOM 968 CG PHE A 125 66.098 20.000 -9.616 1.00 0.00 C ATOM 969 CD1 PHE A 125 65.996 19.719 -8.249 1.00 0.00 C ATOM 970 CD2 PHE A 125 65.042 20.636 -10.279 1.00 0.00 C ATOM 971 CE1 PHE A 125 64.840 20.072 -7.545 1.00 0.00 C ATOM 972 CE2 PHE A 125 63.885 20.989 -9.576 1.00 0.00 C ATOM 973 CZ PHE A 125 63.784 20.708 -8.208 1.00 0.00 C ATOM 0 H PHE A 125 65.506 17.372 -9.979 1.00 0.00 H new ATOM 0 HA PHE A 125 68.002 17.858 -11.426 1.00 0.00 H new ATOM 0 HB2 PHE A 125 68.231 19.955 -9.835 1.00 0.00 H new ATOM 0 HB3 PHE A 125 67.359 20.120 -11.346 1.00 0.00 H new ATOM 0 HD1 PHE A 125 66.811 19.229 -7.737 1.00 0.00 H new ATOM 0 HD2 PHE A 125 65.120 20.854 -11.334 1.00 0.00 H new ATOM 0 HE1 PHE A 125 64.762 19.854 -6.490 1.00 0.00 H new ATOM 0 HE2 PHE A 125 63.070 21.478 -10.088 1.00 0.00 H new ATOM 0 HZ PHE A 125 62.892 20.982 -7.665 1.00 0.00 H new ATOM 983 N SER A 126 69.256 17.803 -9.055 1.00 0.00 N ATOM 984 CA SER A 126 69.955 17.259 -7.902 1.00 0.00 C ATOM 985 C SER A 126 70.148 18.308 -6.810 1.00 0.00 C ATOM 986 O SER A 126 71.264 18.542 -6.347 1.00 0.00 O ATOM 987 CB SER A 126 71.312 16.731 -8.320 1.00 0.00 C ATOM 988 OG SER A 126 72.170 17.822 -8.625 1.00 0.00 O ATOM 0 H SER A 126 69.808 18.449 -9.619 1.00 0.00 H new ATOM 0 HA SER A 126 69.342 16.452 -7.502 1.00 0.00 H new ATOM 0 HB2 SER A 126 71.742 16.129 -7.520 1.00 0.00 H new ATOM 0 HB3 SER A 126 71.210 16.081 -9.189 1.00 0.00 H new ATOM 0 HG SER A 126 72.393 18.303 -7.801 1.00 0.00 H new ATOM 994 N LYS A 127 69.061 18.932 -6.408 1.00 0.00 N ATOM 995 CA LYS A 127 69.113 19.956 -5.367 1.00 0.00 C ATOM 996 C LYS A 127 68.991 19.350 -3.971 1.00 0.00 C ATOM 997 O LYS A 127 69.673 19.779 -3.040 1.00 0.00 O ATOM 998 CB LYS A 127 67.991 20.962 -5.578 1.00 0.00 C ATOM 999 CG LYS A 127 68.145 21.641 -6.942 1.00 0.00 C ATOM 1000 CD LYS A 127 69.373 22.554 -6.934 1.00 0.00 C ATOM 1001 CE LYS A 127 69.451 23.306 -8.261 1.00 0.00 C ATOM 1002 NZ LYS A 127 70.640 24.204 -8.252 1.00 0.00 N ATOM 0 H LYS A 127 68.128 18.754 -6.781 1.00 0.00 H new ATOM 0 HA LYS A 127 70.081 20.452 -5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 127 67.025 20.460 -5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 127 68.009 21.711 -4.786 1.00 0.00 H new ATOM 0 HG2 LYS A 127 68.246 20.888 -7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 127 67.251 22.221 -7.172 1.00 0.00 H new ATOM 0 HD2 LYS A 127 69.310 23.260 -6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 127 70.278 21.965 -6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 127 69.521 22.600 -9.088 1.00 0.00 H new ATOM 0 HE3 LYS A 127 68.543 23.889 -8.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 70.695 24.717 -9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 70.554 24.886 -7.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 71.502 23.637 -8.123 1.00 0.00 H new ATOM 1016 N ASP A 128 68.113 18.362 -3.830 1.00 0.00 N ATOM 1017 CA ASP A 128 67.903 17.720 -2.535 1.00 0.00 C ATOM 1018 C ASP A 128 68.366 16.263 -2.548 1.00 0.00 C ATOM 1019 O ASP A 128 67.923 15.448 -1.739 1.00 0.00 O ATOM 1020 CB ASP A 128 66.425 17.802 -2.148 1.00 0.00 C ATOM 1021 CG ASP A 128 66.235 18.802 -1.012 1.00 0.00 C ATOM 1022 OD1 ASP A 128 66.970 18.717 -0.042 1.00 0.00 O ATOM 1023 OD2 ASP A 128 65.355 19.639 -1.129 1.00 0.00 O ATOM 0 H ASP A 128 67.540 17.991 -4.588 1.00 0.00 H new ATOM 0 HA ASP A 128 68.502 18.250 -1.795 1.00 0.00 H new ATOM 0 HB2 ASP A 128 65.831 18.103 -3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 128 66.066 16.819 -1.842 1.00 0.00 H new ATOM 1028 N ILE A 129 69.264 15.944 -3.467 1.00 0.00 N ATOM 1029 CA ILE A 129 69.792 14.582 -3.567 1.00 0.00 C ATOM 1030 C ILE A 129 70.541 14.216 -2.293 1.00 0.00 C ATOM 1031 O ILE A 129 70.480 14.956 -1.311 1.00 0.00 O ATOM 1032 CB ILE A 129 70.735 14.462 -4.770 1.00 0.00 C ATOM 1033 CG1 ILE A 129 71.637 15.698 -4.838 1.00 0.00 C ATOM 1034 CG2 ILE A 129 69.904 14.354 -6.048 1.00 0.00 C ATOM 1035 CD1 ILE A 129 73.007 15.316 -5.399 1.00 0.00 C ATOM 0 H ILE A 129 69.643 16.599 -4.151 1.00 0.00 H new ATOM 0 HA ILE A 129 68.955 13.896 -3.702 1.00 0.00 H new ATOM 0 HB ILE A 129 71.357 13.573 -4.665 1.00 0.00 H new ATOM 0 HG12 ILE A 129 71.177 16.460 -5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 129 71.750 16.131 -3.844 1.00 0.00 H new ATOM 0 HG21 ILE A 129 70.568 14.268 -6.908 1.00 0.00 H new ATOM 0 HG22 ILE A 129 69.266 13.472 -5.993 1.00 0.00 H new ATOM 0 HG23 ILE A 129 69.284 15.244 -6.155 1.00 0.00 H new ATOM 0 HD11 ILE A 129 73.642 16.201 -5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 129 73.470 14.570 -4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 129 72.888 14.904 -6.401 1.00 0.00 H new ATOM 1047 N VAL A 130 71.231 13.069 -2.322 1.00 0.00 N ATOM 1048 CA VAL A 130 71.994 12.596 -1.175 1.00 0.00 C ATOM 1049 C VAL A 130 72.657 13.756 -0.469 1.00 0.00 C ATOM 1050 O VAL A 130 73.583 14.354 -1.000 1.00 0.00 O ATOM 1051 CB VAL A 130 73.064 11.604 -1.628 1.00 0.00 C ATOM 1052 CG1 VAL A 130 73.608 12.015 -3.005 1.00 0.00 C ATOM 1053 CG2 VAL A 130 74.216 11.581 -0.613 1.00 0.00 C ATOM 0 H VAL A 130 71.272 12.453 -3.134 1.00 0.00 H new ATOM 0 HA VAL A 130 71.308 12.102 -0.487 1.00 0.00 H new ATOM 0 HB VAL A 130 72.619 10.611 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 130 74.371 11.304 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 130 72.794 12.022 -3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 130 74.046 13.011 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 130 74.976 10.872 -0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 130 74.656 12.576 -0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 130 73.835 11.279 0.363 1.00 0.00 H new ATOM 1063 N GLU A 131 72.145 14.054 0.718 1.00 0.00 N ATOM 1064 CA GLU A 131 72.642 15.151 1.542 1.00 0.00 C ATOM 1065 C GLU A 131 71.696 15.441 2.688 1.00 0.00 C ATOM 1066 O GLU A 131 72.112 15.908 3.747 1.00 0.00 O ATOM 1067 CB GLU A 131 72.753 16.425 0.724 1.00 0.00 C ATOM 1068 CG GLU A 131 74.222 16.680 0.402 1.00 0.00 C ATOM 1069 CD GLU A 131 74.352 17.505 -0.872 1.00 0.00 C ATOM 1070 OE1 GLU A 131 73.425 18.238 -1.177 1.00 0.00 O ATOM 1071 OE2 GLU A 131 75.374 17.389 -1.527 1.00 0.00 O ATOM 0 H GLU A 131 71.371 13.541 1.139 1.00 0.00 H new ATOM 0 HA GLU A 131 73.617 14.846 1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 131 72.176 16.333 -0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 131 72.337 17.266 1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 131 74.697 17.204 1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 131 74.745 15.731 0.283 1.00 0.00 H new ATOM 1078 N ASN A 132 70.414 15.203 2.459 1.00 0.00 N ATOM 1079 CA ASN A 132 69.425 15.494 3.474 1.00 0.00 C ATOM 1080 C ASN A 132 69.292 14.337 4.457 1.00 0.00 C ATOM 1081 O ASN A 132 68.303 13.605 4.440 1.00 0.00 O ATOM 1082 CB ASN A 132 68.074 15.774 2.823 1.00 0.00 C ATOM 1083 CG ASN A 132 68.214 16.894 1.799 1.00 0.00 C ATOM 1084 OD1 ASN A 132 68.139 18.071 2.149 1.00 0.00 O ATOM 1085 ND2 ASN A 132 68.438 16.594 0.550 1.00 0.00 N ATOM 0 H ASN A 132 70.042 14.815 1.592 1.00 0.00 H new ATOM 0 HA ASN A 132 69.754 16.376 4.023 1.00 0.00 H new ATOM 0 HB2 ASN A 132 67.700 14.872 2.339 1.00 0.00 H new ATOM 0 HB3 ASN A 132 67.345 16.054 3.584 1.00 0.00 H new ATOM 0 HD21 ASN A 132 68.552 17.336 -0.140 1.00 0.00 H new ATOM 0 HD22 ASN A 132 68.500 15.617 0.263 1.00 0.00 H new ATOM 1092 N TYR A 133 70.297 14.178 5.307 1.00 0.00 N ATOM 1093 CA TYR A 133 70.294 13.114 6.289 1.00 0.00 C ATOM 1094 C TYR A 133 69.719 13.597 7.615 1.00 0.00 C ATOM 1095 O TYR A 133 70.055 13.070 8.676 1.00 0.00 O ATOM 1096 CB TYR A 133 71.719 12.614 6.507 1.00 0.00 C ATOM 1097 CG TYR A 133 72.620 13.763 6.886 1.00 0.00 C ATOM 1098 CD1 TYR A 133 72.703 14.150 8.220 1.00 0.00 C ATOM 1099 CD2 TYR A 133 73.371 14.433 5.912 1.00 0.00 C ATOM 1100 CE1 TYR A 133 73.536 15.210 8.594 1.00 0.00 C ATOM 1101 CE2 TYR A 133 74.205 15.496 6.282 1.00 0.00 C ATOM 1102 CZ TYR A 133 74.287 15.885 7.624 1.00 0.00 C ATOM 1103 OH TYR A 133 75.108 16.932 7.990 1.00 0.00 O ATOM 0 H TYR A 133 71.123 14.775 5.333 1.00 0.00 H new ATOM 0 HA TYR A 133 69.669 12.304 5.914 1.00 0.00 H new ATOM 0 HB2 TYR A 133 71.731 11.858 7.292 1.00 0.00 H new ATOM 0 HB3 TYR A 133 72.088 12.137 5.599 1.00 0.00 H new ATOM 0 HD1 TYR A 133 72.123 13.631 8.969 1.00 0.00 H new ATOM 0 HD2 TYR A 133 73.307 14.131 4.877 1.00 0.00 H new ATOM 0 HE1 TYR A 133 73.600 15.507 9.630 1.00 0.00 H new ATOM 0 HE2 TYR A 133 74.784 16.015 5.532 1.00 0.00 H new ATOM 0 HH TYR A 133 75.558 17.288 7.196 1.00 0.00 H new ATOM 1113 N PHE A 134 68.854 14.599 7.551 1.00 0.00 N ATOM 1114 CA PHE A 134 68.243 15.140 8.759 1.00 0.00 C ATOM 1115 C PHE A 134 67.455 14.058 9.490 1.00 0.00 C ATOM 1116 O PHE A 134 67.582 13.893 10.704 1.00 0.00 O ATOM 1117 CB PHE A 134 67.313 16.302 8.404 1.00 0.00 C ATOM 1118 CG PHE A 134 66.640 16.810 9.651 1.00 0.00 C ATOM 1119 CD1 PHE A 134 67.313 17.708 10.474 1.00 0.00 C ATOM 1120 CD2 PHE A 134 65.349 16.384 9.983 1.00 0.00 C ATOM 1121 CE1 PHE A 134 66.701 18.191 11.637 1.00 0.00 C ATOM 1122 CE2 PHE A 134 64.732 16.864 11.145 1.00 0.00 C ATOM 1123 CZ PHE A 134 65.409 17.768 11.973 1.00 0.00 C ATOM 0 H PHE A 134 68.561 15.051 6.685 1.00 0.00 H new ATOM 0 HA PHE A 134 69.037 15.501 9.413 1.00 0.00 H new ATOM 0 HB2 PHE A 134 67.881 17.104 7.933 1.00 0.00 H new ATOM 0 HB3 PHE A 134 66.565 15.975 7.682 1.00 0.00 H new ATOM 0 HD1 PHE A 134 68.310 18.033 10.215 1.00 0.00 H new ATOM 0 HD2 PHE A 134 64.829 15.686 9.344 1.00 0.00 H new ATOM 0 HE1 PHE A 134 67.224 18.889 12.274 1.00 0.00 H new ATOM 0 HE2 PHE A 134 63.735 16.537 11.402 1.00 0.00 H new ATOM 0 HZ PHE A 134 64.935 18.139 12.870 1.00 0.00 H new ATOM 1133 N MET A 135 66.634 13.327 8.743 1.00 0.00 N ATOM 1134 CA MET A 135 65.822 12.269 9.329 1.00 0.00 C ATOM 1135 C MET A 135 66.681 11.054 9.675 1.00 0.00 C ATOM 1136 O MET A 135 67.391 10.521 8.821 1.00 0.00 O ATOM 1137 CB MET A 135 64.733 11.852 8.343 1.00 0.00 C ATOM 1138 CG MET A 135 63.603 11.170 9.107 1.00 0.00 C ATOM 1139 SD MET A 135 62.511 12.430 9.814 1.00 0.00 S ATOM 1140 CE MET A 135 62.935 12.152 11.550 1.00 0.00 C ATOM 0 H MET A 135 66.514 13.447 7.737 1.00 0.00 H new ATOM 0 HA MET A 135 65.369 12.650 10.244 1.00 0.00 H new ATOM 0 HB2 MET A 135 64.354 12.724 7.810 1.00 0.00 H new ATOM 0 HB3 MET A 135 65.143 11.174 7.594 1.00 0.00 H new ATOM 0 HG2 MET A 135 63.040 10.517 8.440 1.00 0.00 H new ATOM 0 HG3 MET A 135 64.011 10.541 9.898 1.00 0.00 H new ATOM 0 HE1 MET A 135 62.244 12.705 12.186 1.00 0.00 H new ATOM 0 HE2 MET A 135 62.864 11.088 11.776 1.00 0.00 H new ATOM 0 HE3 MET A 135 63.953 12.495 11.735 1.00 0.00 H new ATOM 1150 N ARG A 136 66.605 10.618 10.928 1.00 0.00 N ATOM 1151 CA ARG A 136 67.370 9.461 11.374 1.00 0.00 C ATOM 1152 C ARG A 136 66.580 8.650 12.396 1.00 0.00 C ATOM 1153 O ARG A 136 66.584 8.964 13.586 1.00 0.00 O ATOM 1154 CB ARG A 136 68.690 9.912 11.989 1.00 0.00 C ATOM 1155 CG ARG A 136 69.662 10.290 10.871 1.00 0.00 C ATOM 1156 CD ARG A 136 71.045 10.528 11.465 1.00 0.00 C ATOM 1157 NE ARG A 136 71.042 11.734 12.289 1.00 0.00 N ATOM 1158 CZ ARG A 136 72.078 12.054 13.066 1.00 0.00 C ATOM 1159 NH1 ARG A 136 73.137 11.284 13.121 1.00 0.00 N ATOM 1160 NH2 ARG A 136 72.038 13.147 13.780 1.00 0.00 N ATOM 0 H ARG A 136 66.024 11.046 11.649 1.00 0.00 H new ATOM 0 HA ARG A 136 67.570 8.831 10.508 1.00 0.00 H new ATOM 0 HB2 ARG A 136 68.526 10.765 12.648 1.00 0.00 H new ATOM 0 HB3 ARG A 136 69.112 9.114 12.600 1.00 0.00 H new ATOM 0 HG2 ARG A 136 69.705 9.495 10.127 1.00 0.00 H new ATOM 0 HG3 ARG A 136 69.314 11.187 10.359 1.00 0.00 H new ATOM 0 HD2 ARG A 136 71.343 9.669 12.067 1.00 0.00 H new ATOM 0 HD3 ARG A 136 71.779 10.627 10.666 1.00 0.00 H new ATOM 0 HE ARG A 136 70.227 12.347 12.270 1.00 0.00 H new ATOM 0 HH11 ARG A 136 73.175 10.429 12.566 1.00 0.00 H new ATOM 0 HH12 ARG A 136 73.923 11.540 13.719 1.00 0.00 H new ATOM 0 HH21 ARG A 136 71.217 13.751 13.742 1.00 0.00 H new ATOM 0 HH22 ARG A 136 72.828 13.396 14.376 1.00 0.00 H new ATOM 1174 N ASP A 137 65.907 7.605 11.926 1.00 0.00 N ATOM 1175 CA ASP A 137 65.119 6.758 12.812 1.00 0.00 C ATOM 1176 C ASP A 137 65.558 5.301 12.693 1.00 0.00 C ATOM 1177 O ASP A 137 65.916 4.842 11.608 1.00 0.00 O ATOM 1178 CB ASP A 137 63.640 6.877 12.468 1.00 0.00 C ATOM 1179 CG ASP A 137 63.261 8.342 12.293 1.00 0.00 C ATOM 1180 OD1 ASP A 137 63.337 8.818 11.175 1.00 0.00 O ATOM 1181 OD2 ASP A 137 62.905 8.964 13.279 1.00 0.00 O ATOM 0 H ASP A 137 65.891 7.326 10.945 1.00 0.00 H new ATOM 0 HA ASP A 137 65.279 7.090 13.838 1.00 0.00 H new ATOM 0 HB2 ASP A 137 63.426 6.326 11.552 1.00 0.00 H new ATOM 0 HB3 ASP A 137 63.037 6.429 13.258 1.00 0.00 H new ATOM 1186 N SER A 138 65.527 4.579 13.811 1.00 0.00 N ATOM 1187 CA SER A 138 65.926 3.178 13.818 1.00 0.00 C ATOM 1188 C SER A 138 65.743 2.564 15.203 1.00 0.00 C ATOM 1189 O SER A 138 64.804 1.806 15.439 1.00 0.00 O ATOM 1190 CB SER A 138 67.382 3.058 13.396 1.00 0.00 C ATOM 1191 OG SER A 138 68.178 3.917 14.199 1.00 0.00 O ATOM 0 H SER A 138 65.231 4.940 14.718 1.00 0.00 H new ATOM 0 HA SER A 138 65.292 2.638 13.115 1.00 0.00 H new ATOM 0 HB2 SER A 138 67.719 2.027 13.502 1.00 0.00 H new ATOM 0 HB3 SER A 138 67.490 3.322 12.344 1.00 0.00 H new ATOM 0 HG SER A 138 68.242 4.797 13.773 1.00 0.00 H new ATOM 1197 N GLY A 139 66.652 2.891 16.114 1.00 0.00 N ATOM 1198 CA GLY A 139 66.583 2.362 17.471 1.00 0.00 C ATOM 1199 C GLY A 139 65.957 3.378 18.419 1.00 0.00 C ATOM 1200 O GLY A 139 66.646 3.983 19.239 1.00 0.00 O ATOM 0 H GLY A 139 67.440 3.515 15.940 1.00 0.00 H new ATOM 0 HA2 GLY A 139 65.997 1.443 17.478 1.00 0.00 H new ATOM 0 HA3 GLY A 139 67.584 2.105 17.817 1.00 0.00 H new ATOM 1204 N SER A 140 64.645 3.562 18.301 1.00 0.00 N ATOM 1205 CA SER A 140 63.942 4.511 19.156 1.00 0.00 C ATOM 1206 C SER A 140 64.634 5.868 19.120 1.00 0.00 C ATOM 1207 O SER A 140 64.671 6.584 20.122 1.00 0.00 O ATOM 1208 CB SER A 140 63.907 3.992 20.593 1.00 0.00 C ATOM 1209 OG SER A 140 65.135 4.308 21.236 1.00 0.00 O ATOM 0 H SER A 140 64.054 3.072 17.630 1.00 0.00 H new ATOM 0 HA SER A 140 62.922 4.622 18.787 1.00 0.00 H new ATOM 0 HB2 SER A 140 63.074 4.441 21.134 1.00 0.00 H new ATOM 0 HB3 SER A 140 63.747 2.914 20.599 1.00 0.00 H new ATOM 0 HG SER A 140 65.877 3.897 20.745 1.00 0.00 H new ATOM 1215 N LYS A 141 65.188 6.215 17.963 1.00 0.00 N ATOM 1216 CA LYS A 141 65.884 7.487 17.812 1.00 0.00 C ATOM 1217 C LYS A 141 64.890 8.616 17.551 1.00 0.00 C ATOM 1218 O LYS A 141 64.343 8.735 16.454 1.00 0.00 O ATOM 1219 CB LYS A 141 66.877 7.400 16.648 1.00 0.00 C ATOM 1220 CG LYS A 141 67.833 6.219 16.858 1.00 0.00 C ATOM 1221 CD LYS A 141 68.664 6.432 18.127 1.00 0.00 C ATOM 1222 CE LYS A 141 69.673 5.290 18.268 1.00 0.00 C ATOM 1223 NZ LYS A 141 70.475 5.483 19.510 1.00 0.00 N ATOM 0 H LYS A 141 65.169 5.638 17.122 1.00 0.00 H new ATOM 0 HA LYS A 141 66.421 7.699 18.736 1.00 0.00 H new ATOM 0 HB2 LYS A 141 66.338 7.279 15.708 1.00 0.00 H new ATOM 0 HB3 LYS A 141 67.444 8.328 16.573 1.00 0.00 H new ATOM 0 HG2 LYS A 141 67.266 5.292 16.937 1.00 0.00 H new ATOM 0 HG3 LYS A 141 68.492 6.117 15.996 1.00 0.00 H new ATOM 0 HD2 LYS A 141 69.184 7.389 18.079 1.00 0.00 H new ATOM 0 HD3 LYS A 141 68.013 6.467 19.000 1.00 0.00 H new ATOM 0 HE2 LYS A 141 69.152 4.333 18.304 1.00 0.00 H new ATOM 0 HE3 LYS A 141 70.330 5.262 17.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 71.160 4.707 19.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 70.983 6.389 19.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 69.842 5.488 20.335 1.00 0.00 H new ATOM 1237 N ALA A 142 64.663 9.442 18.568 1.00 0.00 N ATOM 1238 CA ALA A 142 63.737 10.562 18.446 1.00 0.00 C ATOM 1239 C ALA A 142 64.319 11.646 17.545 1.00 0.00 C ATOM 1240 O ALA A 142 65.535 11.835 17.495 1.00 0.00 O ATOM 1241 CB ALA A 142 63.438 11.148 19.826 1.00 0.00 C ATOM 0 H ALA A 142 65.106 9.357 19.483 1.00 0.00 H new ATOM 0 HA ALA A 142 62.812 10.195 18.001 1.00 0.00 H new ATOM 0 HB1 ALA A 142 62.746 11.984 19.724 1.00 0.00 H new ATOM 0 HB2 ALA A 142 62.990 10.381 20.458 1.00 0.00 H new ATOM 0 HB3 ALA A 142 64.365 11.498 20.281 1.00 0.00 H new ATOM 1247 N ALA A 143 63.446 12.354 16.837 1.00 0.00 N ATOM 1248 CA ALA A 143 63.888 13.417 15.942 1.00 0.00 C ATOM 1249 C ALA A 143 63.263 14.750 16.343 1.00 0.00 C ATOM 1250 O ALA A 143 62.101 14.806 16.743 1.00 0.00 O ATOM 1251 CB ALA A 143 63.497 13.083 14.502 1.00 0.00 C ATOM 0 H ALA A 143 62.436 12.213 16.865 1.00 0.00 H new ATOM 0 HA ALA A 143 64.972 13.500 16.015 1.00 0.00 H new ATOM 0 HB1 ALA A 143 63.831 13.882 13.840 1.00 0.00 H new ATOM 0 HB2 ALA A 143 63.967 12.146 14.205 1.00 0.00 H new ATOM 0 HB3 ALA A 143 62.414 12.983 14.433 1.00 0.00 H new ATOM 1257 N THR A 144 64.044 15.820 16.234 1.00 0.00 N ATOM 1258 CA THR A 144 63.555 17.148 16.588 1.00 0.00 C ATOM 1259 C THR A 144 62.454 17.585 15.628 1.00 0.00 C ATOM 1260 O THR A 144 62.614 17.510 14.409 1.00 0.00 O ATOM 1261 CB THR A 144 64.705 18.156 16.544 1.00 0.00 C ATOM 1262 OG1 THR A 144 65.720 17.755 17.455 1.00 0.00 O ATOM 1263 CG2 THR A 144 64.188 19.542 16.933 1.00 0.00 C ATOM 0 H THR A 144 65.010 15.795 15.906 1.00 0.00 H new ATOM 0 HA THR A 144 63.146 17.109 17.598 1.00 0.00 H new ATOM 0 HB THR A 144 65.115 18.194 15.535 1.00 0.00 H new ATOM 0 HG1 THR A 144 66.458 18.399 17.427 1.00 0.00 H new ATOM 0 HG21 THR A 144 65.009 20.259 16.901 1.00 0.00 H new ATOM 0 HG22 THR A 144 63.410 19.850 16.234 1.00 0.00 H new ATOM 0 HG23 THR A 144 63.776 19.507 17.942 1.00 0.00 H new ATOM 1271 N ASP A 145 61.338 18.045 16.184 1.00 0.00 N ATOM 1272 CA ASP A 145 60.217 18.494 15.365 1.00 0.00 C ATOM 1273 C ASP A 145 60.669 19.570 14.383 1.00 0.00 C ATOM 1274 O ASP A 145 61.093 20.619 14.839 1.00 0.00 O ATOM 1275 CB ASP A 145 59.105 19.050 16.257 1.00 0.00 C ATOM 1276 CG ASP A 145 58.341 17.904 16.914 1.00 0.00 C ATOM 1277 OD1 ASP A 145 58.549 16.772 16.513 1.00 0.00 O ATOM 1278 OD2 ASP A 145 57.557 18.179 17.808 1.00 0.00 O ATOM 1279 OXT ASP A 145 60.584 19.329 13.190 1.00 0.00 O ATOM 0 H ASP A 145 61.186 18.117 17.190 1.00 0.00 H new ATOM 0 HA ASP A 145 59.838 17.640 14.804 1.00 0.00 H new ATOM 0 HB2 ASP A 145 59.531 19.699 17.022 1.00 0.00 H new ATOM 0 HB3 ASP A 145 58.423 19.660 15.665 1.00 0.00 H new TER 1284 ASP A 145 HETATM 1285 ZN ZN A 201 62.303 8.250 -6.038 1.00 0.00 ZN HETATM 1286 ZN ZN A 202 68.539 0.755 1.280 1.00 0.00 ZN