USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 THR OG1 : rot 180:sc= 0.0441 USER MOD Set 1.2: A 47 GLN : amide:sc= 0.93 K(o=0.97,f=-5.8!) USER MOD Set 2.1: A 33 THR OG1 : rot -57:sc= 1.4 USER MOD Set 2.2: A 35 THR OG1 : rot -25:sc= 0.553 USER MOD Single : A 9 LYS NZ :NH3+ 131:sc= 1.24 (180deg=-0.169) USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 17 THR OG1 : rot 64:sc= 1.27 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -130:sc= -0.0934 USER MOD Single : A 37 THR OG1 : rot 80:sc= 0.404 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 71:sc= 1.2 USER MOD Single : A 65 GLN : amide:sc=-0.00819 K(o=-0.0082,f=-0.97) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -128:sc= 1.28 USER MOD Single : A 81 LYS NZ :NH3+ 146:sc= -0.0073 (180deg=-1.09) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 1.530 -12.472 1.587 1.00 0.00 N ATOM 67 CA PHE A 8 2.162 -11.154 1.589 1.00 0.00 C ATOM 68 C PHE A 8 1.105 -10.052 1.537 1.00 0.00 C ATOM 69 O PHE A 8 1.094 -9.150 2.373 1.00 0.00 O ATOM 70 CB PHE A 8 3.116 -11.016 0.394 1.00 0.00 C ATOM 71 CG PHE A 8 3.562 -9.583 0.181 1.00 0.00 C ATOM 72 CD1 PHE A 8 4.465 -8.999 1.086 1.00 0.00 C ATOM 73 CD2 PHE A 8 2.995 -8.800 -0.843 1.00 0.00 C ATOM 74 CE1 PHE A 8 4.803 -7.641 0.978 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.338 -7.443 -0.950 1.00 0.00 C ATOM 76 CZ PHE A 8 4.235 -6.862 -0.040 1.00 0.00 C ATOM 0 HA PHE A 8 2.732 -11.051 2.512 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.990 -11.647 0.554 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.622 -11.379 -0.507 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.902 -9.599 1.870 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.300 -9.241 -1.542 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.498 -7.198 1.676 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.909 -6.842 -1.738 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.488 -5.815 -0.124 1.00 0.00 H new ATOM 86 N LYS A 9 0.216 -10.125 0.539 1.00 0.00 N ATOM 87 CA LYS A 9 -0.793 -9.097 0.309 1.00 0.00 C ATOM 88 C LYS A 9 -1.720 -8.977 1.520 1.00 0.00 C ATOM 89 O LYS A 9 -2.160 -7.870 1.810 1.00 0.00 O ATOM 90 CB LYS A 9 -1.582 -9.427 -0.965 1.00 0.00 C ATOM 91 CG LYS A 9 -2.332 -8.217 -1.545 1.00 0.00 C ATOM 92 CD LYS A 9 -3.170 -8.677 -2.746 1.00 0.00 C ATOM 93 CE LYS A 9 -3.772 -7.527 -3.564 1.00 0.00 C ATOM 94 NZ LYS A 9 -4.741 -6.712 -2.810 1.00 0.00 N ATOM 0 H LYS A 9 0.180 -10.897 -0.127 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.302 -8.133 0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.897 -9.816 -1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.298 -10.219 -0.746 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.975 -7.773 -0.785 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.624 -7.447 -1.853 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.546 -9.286 -3.400 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.977 -9.317 -2.389 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.967 -6.884 -3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.264 -7.938 -4.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.513 -5.704 -2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.700 -6.894 -3.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.695 -6.962 -1.802 1.00 0.00 H new ATOM 108 N ALA A 10 -2.004 -10.087 2.211 1.00 0.00 N ATOM 109 CA ALA A 10 -2.840 -10.097 3.397 1.00 0.00 C ATOM 110 C ALA A 10 -2.161 -9.310 4.502 1.00 0.00 C ATOM 111 O ALA A 10 -2.725 -8.313 4.934 1.00 0.00 O ATOM 112 CB ALA A 10 -3.147 -11.526 3.841 1.00 0.00 C ATOM 0 H ALA A 10 -1.652 -11.009 1.952 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.793 -9.622 3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.775 -11.503 4.732 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.670 -12.051 3.042 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.215 -12.045 4.067 1.00 0.00 H new ATOM 118 N GLU A 11 -0.953 -9.698 4.919 1.00 0.00 N ATOM 119 CA GLU A 11 -0.241 -8.993 5.981 1.00 0.00 C ATOM 120 C GLU A 11 -0.094 -7.511 5.662 1.00 0.00 C ATOM 121 O GLU A 11 -0.180 -6.672 6.555 1.00 0.00 O ATOM 122 CB GLU A 11 1.162 -9.578 6.175 1.00 0.00 C ATOM 123 CG GLU A 11 1.284 -10.663 7.234 1.00 0.00 C ATOM 124 CD GLU A 11 0.887 -10.147 8.629 1.00 0.00 C ATOM 125 OE1 GLU A 11 1.711 -9.492 9.312 1.00 0.00 O ATOM 126 OE2 GLU A 11 -0.269 -10.390 9.055 1.00 0.00 O ATOM 0 H GLU A 11 -0.449 -10.498 4.535 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.830 -9.115 6.890 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.500 -9.986 5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.842 -8.766 6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.649 -11.507 6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.310 -11.031 7.261 1.00 0.00 H new ATOM 133 N LEU A 12 0.156 -7.189 4.395 1.00 0.00 N ATOM 134 CA LEU A 12 0.337 -5.826 3.938 1.00 0.00 C ATOM 135 C LEU A 12 -0.976 -5.047 4.034 1.00 0.00 C ATOM 136 O LEU A 12 -0.972 -3.921 4.520 1.00 0.00 O ATOM 137 CB LEU A 12 0.892 -5.879 2.515 1.00 0.00 C ATOM 138 CG LEU A 12 1.419 -4.523 2.023 1.00 0.00 C ATOM 139 CD1 LEU A 12 2.808 -4.217 2.610 1.00 0.00 C ATOM 140 CD2 LEU A 12 1.475 -4.576 0.497 1.00 0.00 C ATOM 0 H LEU A 12 0.238 -7.882 3.651 1.00 0.00 H new ATOM 0 HA LEU A 12 1.047 -5.293 4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.697 -6.612 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.110 -6.225 1.839 1.00 0.00 H new ATOM 0 HG LEU A 12 0.756 -3.723 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.153 -3.251 2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.745 -4.190 3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.511 -4.993 2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.846 -3.626 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.143 -5.379 0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.476 -4.761 0.102 1.00 0.00 H new ATOM 152 N ASN A 13 -2.104 -5.636 3.624 1.00 0.00 N ATOM 153 CA ASN A 13 -3.438 -5.055 3.791 1.00 0.00 C ATOM 154 C ASN A 13 -3.750 -4.888 5.273 1.00 0.00 C ATOM 155 O ASN A 13 -4.263 -3.848 5.654 1.00 0.00 O ATOM 156 CB ASN A 13 -4.485 -5.953 3.121 1.00 0.00 C ATOM 157 CG ASN A 13 -5.801 -5.218 2.907 1.00 0.00 C ATOM 158 OD1 ASN A 13 -6.007 -4.618 1.854 1.00 0.00 O ATOM 159 ND2 ASN A 13 -6.745 -5.289 3.827 1.00 0.00 N ATOM 0 H ASN A 13 -2.115 -6.544 3.160 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.464 -4.074 3.317 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.104 -6.304 2.162 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.657 -6.835 3.738 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.649 -4.845 3.665 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.570 -5.788 4.699 1.00 0.00 H new ATOM 166 N GLU A 14 -3.450 -5.874 6.115 1.00 0.00 N ATOM 167 CA GLU A 14 -3.709 -5.850 7.558 1.00 0.00 C ATOM 168 C GLU A 14 -2.803 -4.859 8.303 1.00 0.00 C ATOM 169 O GLU A 14 -3.159 -4.387 9.383 1.00 0.00 O ATOM 170 CB GLU A 14 -3.486 -7.257 8.137 1.00 0.00 C ATOM 171 CG GLU A 14 -4.481 -8.305 7.626 1.00 0.00 C ATOM 172 CD GLU A 14 -5.856 -8.197 8.278 1.00 0.00 C ATOM 173 OE1 GLU A 14 -6.588 -7.219 8.012 1.00 0.00 O ATOM 174 OE2 GLU A 14 -6.250 -9.149 8.993 1.00 0.00 O ATOM 0 H GLU A 14 -3.007 -6.739 5.806 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.741 -5.526 7.697 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.474 -7.583 7.895 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.553 -7.207 9.224 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.589 -8.198 6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.076 -9.300 7.809 1.00 0.00 H new ATOM 181 N PHE A 15 -1.627 -4.555 7.753 1.00 0.00 N ATOM 182 CA PHE A 15 -0.724 -3.513 8.217 1.00 0.00 C ATOM 183 C PHE A 15 -1.324 -2.148 7.857 1.00 0.00 C ATOM 184 O PHE A 15 -1.725 -1.381 8.727 1.00 0.00 O ATOM 185 CB PHE A 15 0.663 -3.753 7.587 1.00 0.00 C ATOM 186 CG PHE A 15 1.610 -2.580 7.688 1.00 0.00 C ATOM 187 CD1 PHE A 15 2.128 -2.207 8.939 1.00 0.00 C ATOM 188 CD2 PHE A 15 1.923 -1.823 6.542 1.00 0.00 C ATOM 189 CE1 PHE A 15 2.947 -1.072 9.048 1.00 0.00 C ATOM 190 CE2 PHE A 15 2.721 -0.675 6.654 1.00 0.00 C ATOM 191 CZ PHE A 15 3.236 -0.305 7.908 1.00 0.00 C ATOM 0 H PHE A 15 -1.267 -5.052 6.938 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.597 -3.533 9.299 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.122 -4.616 8.069 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.531 -4.007 6.535 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.897 -2.793 9.816 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.548 -2.127 5.576 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.354 -0.789 10.007 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.939 -0.078 5.781 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.857 0.574 7.995 1.00 0.00 H new ATOM 201 N LEU A 16 -1.444 -1.876 6.557 1.00 0.00 N ATOM 202 CA LEU A 16 -1.995 -0.665 5.953 1.00 0.00 C ATOM 203 C LEU A 16 -3.371 -0.314 6.530 1.00 0.00 C ATOM 204 O LEU A 16 -3.612 0.853 6.846 1.00 0.00 O ATOM 205 CB LEU A 16 -2.068 -0.937 4.442 1.00 0.00 C ATOM 206 CG LEU A 16 -0.711 -0.824 3.717 1.00 0.00 C ATOM 207 CD1 LEU A 16 -0.928 -1.130 2.236 1.00 0.00 C ATOM 208 CD2 LEU A 16 -0.051 0.558 3.848 1.00 0.00 C ATOM 0 H LEU A 16 -1.137 -2.544 5.850 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.364 0.198 6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.471 -1.937 4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.769 -0.235 3.990 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.036 -1.537 4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.022 -1.055 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.325 -2.139 2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.635 -0.414 1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.898 0.560 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.708 1.317 3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.126 0.779 4.901 1.00 0.00 H new ATOM 220 N THR A 17 -4.267 -1.286 6.706 1.00 0.00 N ATOM 221 CA THR A 17 -5.590 -1.070 7.289 1.00 0.00 C ATOM 222 C THR A 17 -5.496 -0.351 8.637 1.00 0.00 C ATOM 223 O THR A 17 -6.391 0.419 8.987 1.00 0.00 O ATOM 224 CB THR A 17 -6.326 -2.422 7.408 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.655 -2.895 6.117 1.00 0.00 O ATOM 226 CG2 THR A 17 -7.623 -2.406 8.211 1.00 0.00 C ATOM 0 H THR A 17 -4.092 -2.256 6.444 1.00 0.00 H new ATOM 0 HA THR A 17 -6.166 -0.419 6.632 1.00 0.00 H new ATOM 0 HB THR A 17 -5.624 -3.060 7.945 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.833 -3.067 5.612 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.053 -3.408 8.228 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.415 -2.083 9.231 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.329 -1.716 7.748 1.00 0.00 H new ATOM 234 N ARG A 18 -4.440 -0.625 9.401 1.00 0.00 N ATOM 235 CA ARG A 18 -4.235 -0.062 10.720 1.00 0.00 C ATOM 236 C ARG A 18 -3.433 1.232 10.619 1.00 0.00 C ATOM 237 O ARG A 18 -3.804 2.200 11.275 1.00 0.00 O ATOM 238 CB ARG A 18 -3.640 -1.128 11.637 1.00 0.00 C ATOM 239 CG ARG A 18 -4.658 -2.282 11.745 1.00 0.00 C ATOM 240 CD ARG A 18 -4.247 -3.364 12.731 1.00 0.00 C ATOM 241 NE ARG A 18 -4.425 -2.922 14.122 1.00 0.00 N ATOM 242 CZ ARG A 18 -3.507 -2.358 14.908 1.00 0.00 C ATOM 243 NH1 ARG A 18 -2.234 -2.288 14.531 1.00 0.00 N ATOM 244 NH2 ARG A 18 -3.857 -1.860 16.077 1.00 0.00 N ATOM 0 H ARG A 18 -3.694 -1.256 9.109 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.180 0.229 11.179 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.693 -1.491 11.237 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.431 -0.710 12.622 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.624 -1.876 12.045 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.792 -2.731 10.761 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.839 -4.262 12.555 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.204 -3.632 12.564 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.350 -3.062 14.529 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.948 -2.669 13.629 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.544 -1.853 15.144 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.830 -1.906 16.380 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.155 -1.429 16.678 1.00 0.00 H new ATOM 258 N GLU A 19 -2.402 1.275 9.766 1.00 0.00 N ATOM 259 CA GLU A 19 -1.537 2.440 9.559 1.00 0.00 C ATOM 260 C GLU A 19 -2.314 3.684 9.144 1.00 0.00 C ATOM 261 O GLU A 19 -1.981 4.779 9.603 1.00 0.00 O ATOM 262 CB GLU A 19 -0.507 2.168 8.450 1.00 0.00 C ATOM 263 CG GLU A 19 0.718 1.364 8.861 1.00 0.00 C ATOM 264 CD GLU A 19 1.585 2.021 9.943 1.00 0.00 C ATOM 265 OE1 GLU A 19 1.226 1.928 11.136 1.00 0.00 O ATOM 266 OE2 GLU A 19 2.668 2.570 9.638 1.00 0.00 O ATOM 0 H GLU A 19 -2.141 0.478 9.186 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.052 2.615 10.519 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.008 1.641 7.638 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.172 3.125 8.050 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.391 0.388 9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.333 1.189 7.979 1.00 0.00 H new ATOM 273 N LEU A 20 -3.279 3.526 8.234 1.00 0.00 N ATOM 274 CA LEU A 20 -4.052 4.605 7.619 1.00 0.00 C ATOM 275 C LEU A 20 -5.524 4.477 8.016 1.00 0.00 C ATOM 276 O LEU A 20 -6.422 4.927 7.298 1.00 0.00 O ATOM 277 CB LEU A 20 -3.824 4.616 6.093 1.00 0.00 C ATOM 278 CG LEU A 20 -2.340 4.805 5.684 1.00 0.00 C ATOM 279 CD1 LEU A 20 -2.092 4.598 4.189 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.833 6.192 6.075 1.00 0.00 C ATOM 0 H LEU A 20 -3.553 2.605 7.893 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.712 5.573 7.987 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.190 3.679 5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.418 5.417 5.652 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.792 4.034 6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.034 4.745 3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.382 3.585 3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.683 5.316 3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.790 6.296 5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.432 6.953 5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.915 6.318 7.155 1.00 0.00 H new ATOM 292 N ALA A 21 -5.782 3.866 9.177 1.00 0.00 N ATOM 293 CA ALA A 21 -7.105 3.687 9.752 1.00 0.00 C ATOM 294 C ALA A 21 -7.872 5.010 9.844 1.00 0.00 C ATOM 295 O ALA A 21 -9.067 5.060 9.553 1.00 0.00 O ATOM 296 CB ALA A 21 -6.940 3.079 11.145 1.00 0.00 C ATOM 0 H ALA A 21 -5.043 3.470 9.758 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.685 3.027 9.107 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.921 2.935 11.598 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.433 2.118 11.065 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.348 3.750 11.767 1.00 0.00 H new ATOM 302 N GLU A 22 -7.187 6.094 10.198 1.00 0.00 N ATOM 303 CA GLU A 22 -7.802 7.402 10.369 1.00 0.00 C ATOM 304 C GLU A 22 -8.035 8.115 9.029 1.00 0.00 C ATOM 305 O GLU A 22 -8.752 9.115 9.009 1.00 0.00 O ATOM 306 CB GLU A 22 -6.899 8.259 11.264 1.00 0.00 C ATOM 307 CG GLU A 22 -6.772 7.735 12.704 1.00 0.00 C ATOM 308 CD GLU A 22 -7.858 8.285 13.624 1.00 0.00 C ATOM 309 OE1 GLU A 22 -7.864 9.507 13.880 1.00 0.00 O ATOM 310 OE2 GLU A 22 -8.696 7.499 14.127 1.00 0.00 O ATOM 0 H GLU A 22 -6.182 6.087 10.375 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.779 7.260 10.831 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.906 8.311 10.818 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.290 9.276 11.291 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.824 6.646 12.697 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.793 8.005 13.101 1.00 0.00 H new ATOM 317 N ASP A 23 -7.421 7.657 7.929 1.00 0.00 N ATOM 318 CA ASP A 23 -7.215 8.488 6.739 1.00 0.00 C ATOM 319 C ASP A 23 -8.274 8.313 5.663 1.00 0.00 C ATOM 320 O ASP A 23 -8.406 9.206 4.826 1.00 0.00 O ATOM 321 CB ASP A 23 -5.840 8.230 6.103 1.00 0.00 C ATOM 322 CG ASP A 23 -4.720 8.835 6.949 1.00 0.00 C ATOM 323 OD1 ASP A 23 -4.399 10.019 6.704 1.00 0.00 O ATOM 324 OD2 ASP A 23 -4.201 8.186 7.885 1.00 0.00 O ATOM 0 H ASP A 23 -7.057 6.708 7.841 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.284 9.510 7.112 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.681 7.157 5.997 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.814 8.657 5.100 1.00 0.00 H new ATOM 329 N GLY A 24 -8.981 7.182 5.627 1.00 0.00 N ATOM 330 CA GLY A 24 -9.838 6.811 4.505 1.00 0.00 C ATOM 331 C GLY A 24 -9.198 5.762 3.596 1.00 0.00 C ATOM 332 O GLY A 24 -9.373 5.812 2.375 1.00 0.00 O ATOM 0 H GLY A 24 -8.973 6.495 6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.784 6.427 4.887 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.069 7.701 3.920 1.00 0.00 H new ATOM 336 N TYR A 25 -8.441 4.817 4.159 1.00 0.00 N ATOM 337 CA TYR A 25 -7.879 3.695 3.435 1.00 0.00 C ATOM 338 C TYR A 25 -9.012 2.859 2.836 1.00 0.00 C ATOM 339 O TYR A 25 -10.182 2.982 3.211 1.00 0.00 O ATOM 340 CB TYR A 25 -6.985 2.894 4.394 1.00 0.00 C ATOM 341 CG TYR A 25 -6.308 1.683 3.781 1.00 0.00 C ATOM 342 CD1 TYR A 25 -5.307 1.873 2.816 1.00 0.00 C ATOM 343 CD2 TYR A 25 -6.646 0.380 4.193 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.642 0.762 2.258 1.00 0.00 C ATOM 345 CE2 TYR A 25 -5.961 -0.734 3.658 1.00 0.00 C ATOM 346 CZ TYR A 25 -4.979 -0.543 2.674 1.00 0.00 C ATOM 347 OH TYR A 25 -4.317 -1.625 2.189 1.00 0.00 O ATOM 0 H TYR A 25 -8.202 4.819 5.151 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.258 4.028 2.603 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.217 3.558 4.791 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.589 2.564 5.239 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.046 2.872 2.500 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.431 0.231 4.920 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.875 0.910 1.512 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.193 -1.730 4.006 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.685 -2.440 2.589 1.00 0.00 H new ATOM 357 N SER A 26 -8.679 2.022 1.864 1.00 0.00 N ATOM 358 CA SER A 26 -9.586 1.078 1.249 1.00 0.00 C ATOM 359 C SER A 26 -8.842 -0.240 1.099 1.00 0.00 C ATOM 360 O SER A 26 -9.220 -1.230 1.732 1.00 0.00 O ATOM 361 CB SER A 26 -10.075 1.678 -0.072 1.00 0.00 C ATOM 362 OG SER A 26 -10.953 2.751 0.224 1.00 0.00 O ATOM 0 H SER A 26 -7.738 1.984 1.473 1.00 0.00 H new ATOM 0 HA SER A 26 -10.475 0.879 1.847 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.231 2.031 -0.664 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.587 0.921 -0.666 1.00 0.00 H new ATOM 0 HG SER A 26 -11.781 2.648 -0.290 1.00 0.00 H new ATOM 368 N GLY A 27 -7.746 -0.246 0.345 1.00 0.00 N ATOM 369 CA GLY A 27 -7.020 -1.463 0.063 1.00 0.00 C ATOM 370 C GLY A 27 -5.688 -1.137 -0.571 1.00 0.00 C ATOM 371 O GLY A 27 -5.234 0.005 -0.571 1.00 0.00 O ATOM 0 H GLY A 27 -7.345 0.590 -0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.865 -2.025 0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.604 -2.098 -0.604 1.00 0.00 H new ATOM 375 N VAL A 28 -5.034 -2.152 -1.104 1.00 0.00 N ATOM 376 CA VAL A 28 -3.737 -2.029 -1.733 1.00 0.00 C ATOM 377 C VAL A 28 -3.743 -2.981 -2.924 1.00 0.00 C ATOM 378 O VAL A 28 -4.459 -3.989 -2.906 1.00 0.00 O ATOM 379 CB VAL A 28 -2.655 -2.331 -0.672 1.00 0.00 C ATOM 380 CG1 VAL A 28 -2.832 -3.706 0.010 1.00 0.00 C ATOM 381 CG2 VAL A 28 -1.230 -2.214 -1.216 1.00 0.00 C ATOM 0 H VAL A 28 -5.399 -3.104 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.516 -1.030 -2.109 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.801 -1.557 0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.039 -3.853 0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.800 -3.742 0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.782 -4.494 -0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.518 -2.438 -0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.094 -2.920 -2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.061 -1.200 -1.579 1.00 0.00 H new ATOM 391 N GLU A 29 -2.926 -2.722 -3.934 1.00 0.00 N ATOM 392 CA GLU A 29 -2.537 -3.719 -4.912 1.00 0.00 C ATOM 393 C GLU A 29 -1.021 -3.786 -4.979 1.00 0.00 C ATOM 394 O GLU A 29 -0.306 -2.948 -4.430 1.00 0.00 O ATOM 395 CB GLU A 29 -3.208 -3.494 -6.276 1.00 0.00 C ATOM 396 CG GLU A 29 -4.689 -3.881 -6.170 1.00 0.00 C ATOM 397 CD GLU A 29 -5.421 -4.041 -7.503 1.00 0.00 C ATOM 398 OE1 GLU A 29 -5.003 -3.490 -8.543 1.00 0.00 O ATOM 399 OE2 GLU A 29 -6.449 -4.762 -7.515 1.00 0.00 O ATOM 0 H GLU A 29 -2.512 -1.804 -4.097 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.900 -4.696 -4.594 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.111 -2.451 -6.576 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.716 -4.093 -7.042 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.764 -4.818 -5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.204 -3.123 -5.580 1.00 0.00 H new ATOM 406 N VAL A 30 -0.556 -4.870 -5.579 1.00 0.00 N ATOM 407 CA VAL A 30 0.822 -5.295 -5.618 1.00 0.00 C ATOM 408 C VAL A 30 1.155 -5.621 -7.064 1.00 0.00 C ATOM 409 O VAL A 30 0.343 -6.230 -7.775 1.00 0.00 O ATOM 410 CB VAL A 30 1.028 -6.463 -4.627 1.00 0.00 C ATOM 411 CG1 VAL A 30 -0.054 -7.558 -4.638 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.394 -7.132 -4.817 1.00 0.00 C ATOM 0 H VAL A 30 -1.172 -5.510 -6.080 1.00 0.00 H new ATOM 0 HA VAL A 30 1.514 -4.519 -5.292 1.00 0.00 H new ATOM 0 HB VAL A 30 0.959 -5.971 -3.657 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.196 -8.324 -3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.020 -7.118 -4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.105 -8.009 -5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.502 -7.948 -4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.469 -7.525 -5.831 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.184 -6.399 -4.653 1.00 0.00 H new ATOM 422 N ARG A 31 2.362 -5.222 -7.466 1.00 0.00 N ATOM 423 CA ARG A 31 2.960 -5.508 -8.755 1.00 0.00 C ATOM 424 C ARG A 31 4.382 -5.986 -8.489 1.00 0.00 C ATOM 425 O ARG A 31 5.072 -5.435 -7.628 1.00 0.00 O ATOM 426 CB ARG A 31 2.903 -4.240 -9.625 1.00 0.00 C ATOM 427 CG ARG A 31 1.629 -4.169 -10.473 1.00 0.00 C ATOM 428 CD ARG A 31 1.505 -2.790 -11.134 1.00 0.00 C ATOM 429 NE ARG A 31 0.649 -2.866 -12.327 1.00 0.00 N ATOM 430 CZ ARG A 31 1.068 -2.866 -13.597 1.00 0.00 C ATOM 431 NH1 ARG A 31 2.233 -2.330 -13.941 1.00 0.00 N ATOM 432 NH2 ARG A 31 0.322 -3.440 -14.530 1.00 0.00 N ATOM 0 H ARG A 31 2.972 -4.665 -6.868 1.00 0.00 H new ATOM 0 HA ARG A 31 2.428 -6.286 -9.303 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.959 -3.360 -8.984 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.774 -4.213 -10.280 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.649 -4.946 -11.238 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.757 -4.360 -9.848 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.087 -2.076 -10.424 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.493 -2.423 -11.411 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.357 -2.924 -12.172 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.829 -1.906 -13.230 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.532 -2.342 -14.916 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.564 -3.877 -14.277 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.634 -3.445 -15.501 1.00 0.00 H new ATOM 446 N VAL A 32 4.824 -7.012 -9.210 1.00 0.00 N ATOM 447 CA VAL A 32 6.163 -7.579 -9.083 1.00 0.00 C ATOM 448 C VAL A 32 6.645 -7.799 -10.504 1.00 0.00 C ATOM 449 O VAL A 32 5.989 -8.492 -11.282 1.00 0.00 O ATOM 450 CB VAL A 32 6.153 -8.874 -8.245 1.00 0.00 C ATOM 451 CG1 VAL A 32 7.584 -9.377 -8.005 1.00 0.00 C ATOM 452 CG2 VAL A 32 5.483 -8.657 -6.881 1.00 0.00 C ATOM 0 H VAL A 32 4.251 -7.481 -9.912 1.00 0.00 H new ATOM 0 HA VAL A 32 6.839 -6.914 -8.546 1.00 0.00 H new ATOM 0 HB VAL A 32 5.586 -9.612 -8.812 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.554 -10.291 -7.412 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.063 -9.581 -8.962 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.152 -8.616 -7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.494 -9.590 -6.318 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.026 -7.892 -6.326 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.452 -8.335 -7.029 1.00 0.00 H new ATOM 462 N THR A 33 7.705 -7.098 -10.878 1.00 0.00 N ATOM 463 CA THR A 33 8.113 -6.934 -12.267 1.00 0.00 C ATOM 464 C THR A 33 9.535 -7.473 -12.473 1.00 0.00 C ATOM 465 O THR A 33 10.184 -7.868 -11.495 1.00 0.00 O ATOM 466 CB THR A 33 7.935 -5.448 -12.611 1.00 0.00 C ATOM 467 OG1 THR A 33 8.873 -4.668 -11.900 1.00 0.00 O ATOM 468 CG2 THR A 33 6.505 -4.965 -12.339 1.00 0.00 C ATOM 0 H THR A 33 8.316 -6.620 -10.216 1.00 0.00 H new ATOM 0 HA THR A 33 7.500 -7.516 -12.955 1.00 0.00 H new ATOM 0 HB THR A 33 8.115 -5.330 -13.680 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.775 -4.834 -10.939 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.423 -3.909 -12.596 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.805 -5.541 -12.944 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.270 -5.101 -11.283 1.00 0.00 H new ATOM 476 N PRO A 34 10.085 -7.481 -13.700 1.00 0.00 N ATOM 477 CA PRO A 34 11.505 -7.752 -13.903 1.00 0.00 C ATOM 478 C PRO A 34 12.398 -6.574 -13.464 1.00 0.00 C ATOM 479 O PRO A 34 13.616 -6.638 -13.683 1.00 0.00 O ATOM 480 CB PRO A 34 11.644 -8.072 -15.398 1.00 0.00 C ATOM 481 CG PRO A 34 10.496 -7.313 -16.050 1.00 0.00 C ATOM 482 CD PRO A 34 9.408 -7.303 -14.980 1.00 0.00 C ATOM 0 HA PRO A 34 11.845 -8.584 -13.286 1.00 0.00 H new ATOM 0 HB2 PRO A 34 12.609 -7.746 -15.787 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.570 -9.143 -15.585 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.793 -6.302 -16.328 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.156 -7.807 -16.960 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.854 -6.364 -14.999 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.687 -8.102 -15.152 1.00 0.00 H new ATOM 490 N THR A 35 11.854 -5.490 -12.892 1.00 0.00 N ATOM 491 CA THR A 35 12.617 -4.295 -12.543 1.00 0.00 C ATOM 492 C THR A 35 12.678 -4.102 -11.023 1.00 0.00 C ATOM 493 O THR A 35 13.789 -3.962 -10.504 1.00 0.00 O ATOM 494 CB THR A 35 12.104 -3.065 -13.309 1.00 0.00 C ATOM 495 OG1 THR A 35 10.788 -2.735 -12.957 1.00 0.00 O ATOM 496 CG2 THR A 35 12.110 -3.291 -14.825 1.00 0.00 C ATOM 0 H THR A 35 10.863 -5.423 -12.659 1.00 0.00 H new ATOM 0 HA THR A 35 13.650 -4.431 -12.864 1.00 0.00 H new ATOM 0 HB THR A 35 12.785 -2.258 -13.038 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.327 -3.535 -12.629 1.00 0.00 H new ATOM 0 HG21 THR A 35 11.740 -2.397 -15.328 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.127 -3.500 -15.158 1.00 0.00 H new ATOM 0 HG23 THR A 35 11.467 -4.137 -15.069 1.00 0.00 H new ATOM 504 N ARG A 36 11.537 -4.112 -10.314 1.00 0.00 N ATOM 505 CA ARG A 36 11.432 -3.872 -8.867 1.00 0.00 C ATOM 506 C ARG A 36 10.112 -4.414 -8.310 1.00 0.00 C ATOM 507 O ARG A 36 9.302 -4.980 -9.047 1.00 0.00 O ATOM 508 CB ARG A 36 11.623 -2.382 -8.527 1.00 0.00 C ATOM 509 CG ARG A 36 10.704 -1.418 -9.296 1.00 0.00 C ATOM 510 CD ARG A 36 10.738 -0.002 -8.699 1.00 0.00 C ATOM 511 NE ARG A 36 12.099 0.490 -8.410 1.00 0.00 N ATOM 512 CZ ARG A 36 13.024 0.903 -9.287 1.00 0.00 C ATOM 513 NH1 ARG A 36 12.807 0.844 -10.600 1.00 0.00 N ATOM 514 NH2 ARG A 36 14.181 1.364 -8.825 1.00 0.00 N ATOM 0 H ARG A 36 10.632 -4.294 -10.748 1.00 0.00 H new ATOM 0 HA ARG A 36 12.241 -4.419 -8.382 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.457 -2.244 -7.459 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.659 -2.109 -8.726 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.010 -1.380 -10.341 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.682 -1.797 -9.277 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.252 0.686 -9.391 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.155 0.008 -7.778 1.00 0.00 H new ATOM 0 HE ARG A 36 12.367 0.519 -7.426 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.923 0.479 -10.955 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.525 1.164 -11.250 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.351 1.398 -7.820 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.899 1.683 -9.475 1.00 0.00 H new ATOM 528 N THR A 37 9.934 -4.360 -6.995 1.00 0.00 N ATOM 529 CA THR A 37 8.627 -4.505 -6.367 1.00 0.00 C ATOM 530 C THR A 37 7.895 -3.158 -6.417 1.00 0.00 C ATOM 531 O THR A 37 8.528 -2.103 -6.352 1.00 0.00 O ATOM 532 CB THR A 37 8.796 -4.922 -4.898 1.00 0.00 C ATOM 533 OG1 THR A 37 9.804 -5.900 -4.742 1.00 0.00 O ATOM 534 CG2 THR A 37 7.467 -5.433 -4.352 1.00 0.00 C ATOM 0 H THR A 37 10.695 -4.214 -6.332 1.00 0.00 H new ATOM 0 HA THR A 37 8.056 -5.266 -6.898 1.00 0.00 H new ATOM 0 HB THR A 37 9.107 -4.044 -4.332 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.684 -5.468 -4.753 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.591 -5.728 -3.310 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.718 -4.644 -4.419 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.140 -6.293 -4.936 1.00 0.00 H new ATOM 542 N GLU A 38 6.564 -3.191 -6.448 1.00 0.00 N ATOM 543 CA GLU A 38 5.668 -2.044 -6.490 1.00 0.00 C ATOM 544 C GLU A 38 4.460 -2.353 -5.598 1.00 0.00 C ATOM 545 O GLU A 38 4.011 -3.504 -5.506 1.00 0.00 O ATOM 546 CB GLU A 38 5.252 -1.837 -7.947 1.00 0.00 C ATOM 547 CG GLU A 38 6.453 -1.442 -8.820 1.00 0.00 C ATOM 548 CD GLU A 38 6.037 -0.884 -10.174 1.00 0.00 C ATOM 549 OE1 GLU A 38 5.565 -1.648 -11.046 1.00 0.00 O ATOM 550 OE2 GLU A 38 6.288 0.311 -10.433 1.00 0.00 O ATOM 0 H GLU A 38 6.054 -4.075 -6.444 1.00 0.00 H new ATOM 0 HA GLU A 38 6.142 -1.133 -6.125 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.805 -2.753 -8.333 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.488 -1.061 -8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.051 -0.698 -8.293 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.090 -2.314 -8.971 1.00 0.00 H new ATOM 557 N ILE A 39 3.964 -1.334 -4.896 1.00 0.00 N ATOM 558 CA ILE A 39 2.852 -1.418 -3.953 1.00 0.00 C ATOM 559 C ILE A 39 2.031 -0.144 -4.144 1.00 0.00 C ATOM 560 O ILE A 39 2.590 0.949 -4.053 1.00 0.00 O ATOM 561 CB ILE A 39 3.376 -1.538 -2.496 1.00 0.00 C ATOM 562 CG1 ILE A 39 4.246 -2.797 -2.266 1.00 0.00 C ATOM 563 CG2 ILE A 39 2.181 -1.563 -1.529 1.00 0.00 C ATOM 564 CD1 ILE A 39 5.012 -2.793 -0.936 1.00 0.00 C ATOM 0 H ILE A 39 4.342 -0.390 -4.973 1.00 0.00 H new ATOM 0 HA ILE A 39 2.242 -2.303 -4.135 1.00 0.00 H new ATOM 0 HB ILE A 39 4.012 -0.672 -2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.607 -3.679 -2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.960 -2.887 -3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.544 -1.647 -0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.607 -0.643 -1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.544 -2.417 -1.760 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.597 -3.708 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.679 -1.931 -0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.304 -2.736 -0.109 1.00 0.00 H new ATOM 576 N ILE A 40 0.728 -0.253 -4.392 1.00 0.00 N ATOM 577 CA ILE A 40 -0.137 0.868 -4.729 1.00 0.00 C ATOM 578 C ILE A 40 -1.257 0.897 -3.686 1.00 0.00 C ATOM 579 O ILE A 40 -2.139 0.039 -3.709 1.00 0.00 O ATOM 580 CB ILE A 40 -0.649 0.737 -6.190 1.00 0.00 C ATOM 581 CG1 ILE A 40 0.456 0.578 -7.271 1.00 0.00 C ATOM 582 CG2 ILE A 40 -1.459 2.001 -6.530 1.00 0.00 C ATOM 583 CD1 ILE A 40 1.030 -0.831 -7.478 1.00 0.00 C ATOM 0 H ILE A 40 0.235 -1.146 -4.363 1.00 0.00 H new ATOM 0 HA ILE A 40 0.395 1.819 -4.698 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.237 -0.181 -6.217 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.051 0.922 -8.223 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.279 1.245 -7.015 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.829 1.932 -7.553 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.302 2.089 -5.844 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.820 2.879 -6.434 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.790 -0.803 -8.259 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.477 -1.182 -6.548 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.230 -1.510 -7.775 1.00 0.00 H new ATOM 595 N ILE A 41 -1.210 1.837 -2.738 1.00 0.00 N ATOM 596 CA ILE A 41 -2.301 2.052 -1.787 1.00 0.00 C ATOM 597 C ILE A 41 -3.479 2.657 -2.546 1.00 0.00 C ATOM 598 O ILE A 41 -3.325 3.677 -3.216 1.00 0.00 O ATOM 599 CB ILE A 41 -1.854 2.984 -0.639 1.00 0.00 C ATOM 600 CG1 ILE A 41 -0.920 2.234 0.328 1.00 0.00 C ATOM 601 CG2 ILE A 41 -3.061 3.507 0.166 1.00 0.00 C ATOM 602 CD1 ILE A 41 0.013 3.202 1.059 1.00 0.00 C ATOM 0 H ILE A 41 -0.418 2.467 -2.609 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.594 1.103 -1.337 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.333 3.826 -1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.514 1.679 1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.330 1.504 -0.226 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.710 4.159 0.965 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.724 4.066 -0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.604 2.665 0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.660 2.643 1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.623 3.738 0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.579 3.916 1.632 1.00 0.00 H new ATOM 614 N LEU A 42 -4.661 2.080 -2.368 1.00 0.00 N ATOM 615 CA LEU A 42 -5.945 2.604 -2.800 1.00 0.00 C ATOM 616 C LEU A 42 -6.557 3.288 -1.572 1.00 0.00 C ATOM 617 O LEU A 42 -6.845 2.601 -0.584 1.00 0.00 O ATOM 618 CB LEU A 42 -6.862 1.440 -3.249 1.00 0.00 C ATOM 619 CG LEU A 42 -6.266 0.537 -4.351 1.00 0.00 C ATOM 620 CD1 LEU A 42 -7.195 -0.652 -4.619 1.00 0.00 C ATOM 621 CD2 LEU A 42 -6.022 1.329 -5.639 1.00 0.00 C ATOM 0 H LEU A 42 -4.751 1.183 -1.891 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.834 3.294 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.096 0.824 -2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.804 1.855 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.304 0.161 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.765 -1.282 -5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.313 -1.235 -3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.169 -0.287 -4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.602 0.669 -6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.966 1.740 -5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.324 2.142 -5.439 1.00 0.00 H new ATOM 633 N ALA A 43 -6.763 4.606 -1.600 1.00 0.00 N ATOM 634 CA ALA A 43 -7.460 5.324 -0.526 1.00 0.00 C ATOM 635 C ALA A 43 -8.358 6.426 -1.095 1.00 0.00 C ATOM 636 O ALA A 43 -8.296 6.756 -2.283 1.00 0.00 O ATOM 637 CB ALA A 43 -6.447 5.911 0.465 1.00 0.00 C ATOM 0 H ALA A 43 -6.453 5.206 -2.364 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.095 4.614 0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.977 6.441 1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.856 5.106 0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.787 6.604 -0.057 1.00 0.00 H new ATOM 643 N THR A 44 -9.205 7.020 -0.256 1.00 0.00 N ATOM 644 CA THR A 44 -10.078 8.114 -0.668 1.00 0.00 C ATOM 645 C THR A 44 -9.286 9.403 -0.935 1.00 0.00 C ATOM 646 O THR A 44 -9.686 10.197 -1.786 1.00 0.00 O ATOM 647 CB THR A 44 -11.157 8.335 0.407 1.00 0.00 C ATOM 648 OG1 THR A 44 -10.549 8.485 1.673 1.00 0.00 O ATOM 649 CG2 THR A 44 -12.133 7.154 0.472 1.00 0.00 C ATOM 0 H THR A 44 -9.304 6.757 0.724 1.00 0.00 H new ATOM 0 HA THR A 44 -10.559 7.843 -1.608 1.00 0.00 H new ATOM 0 HB THR A 44 -11.709 9.236 0.139 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.240 8.627 2.353 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.882 7.343 1.241 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.626 7.036 -0.493 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.586 6.243 0.714 1.00 0.00 H new ATOM 657 N ARG A 45 -8.177 9.640 -0.222 1.00 0.00 N ATOM 658 CA ARG A 45 -7.510 10.936 -0.142 1.00 0.00 C ATOM 659 C ARG A 45 -6.016 10.705 -0.323 1.00 0.00 C ATOM 660 O ARG A 45 -5.275 10.576 0.652 1.00 0.00 O ATOM 661 CB ARG A 45 -7.829 11.606 1.211 1.00 0.00 C ATOM 662 CG ARG A 45 -9.325 11.829 1.479 1.00 0.00 C ATOM 663 CD ARG A 45 -9.561 12.211 2.941 1.00 0.00 C ATOM 664 NE ARG A 45 -11.000 12.324 3.208 1.00 0.00 N ATOM 665 CZ ARG A 45 -11.558 13.046 4.181 1.00 0.00 C ATOM 666 NH1 ARG A 45 -10.814 13.663 5.096 1.00 0.00 N ATOM 667 NH2 ARG A 45 -12.876 13.144 4.232 1.00 0.00 N ATOM 0 H ARG A 45 -7.712 8.916 0.326 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.863 11.609 -0.924 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.418 10.991 2.012 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.319 12.568 1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.703 12.616 0.827 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.881 10.923 1.240 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.120 11.460 3.597 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.067 13.157 3.162 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.629 11.805 2.595 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.797 13.589 5.061 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.261 14.210 5.832 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.450 12.671 3.534 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.318 13.692 4.970 1.00 0.00 H new ATOM 681 N THR A 46 -5.560 10.654 -1.570 1.00 0.00 N ATOM 682 CA THR A 46 -4.160 10.442 -1.921 1.00 0.00 C ATOM 683 C THR A 46 -3.245 11.448 -1.211 1.00 0.00 C ATOM 684 O THR A 46 -2.175 11.088 -0.725 1.00 0.00 O ATOM 685 CB THR A 46 -4.026 10.517 -3.454 1.00 0.00 C ATOM 686 OG1 THR A 46 -4.885 11.506 -4.003 1.00 0.00 O ATOM 687 CG2 THR A 46 -4.418 9.186 -4.086 1.00 0.00 C ATOM 0 H THR A 46 -6.167 10.761 -2.383 1.00 0.00 H new ATOM 0 HA THR A 46 -3.840 9.457 -1.583 1.00 0.00 H new ATOM 0 HB THR A 46 -2.986 10.764 -3.667 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.776 11.530 -4.977 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.318 9.254 -5.169 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.765 8.398 -3.710 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.452 8.952 -3.831 1.00 0.00 H new ATOM 695 N GLN A 47 -3.683 12.701 -1.084 1.00 0.00 N ATOM 696 CA GLN A 47 -2.981 13.753 -0.365 1.00 0.00 C ATOM 697 C GLN A 47 -2.731 13.378 1.102 1.00 0.00 C ATOM 698 O GLN A 47 -1.618 13.561 1.597 1.00 0.00 O ATOM 699 CB GLN A 47 -3.700 15.112 -0.528 1.00 0.00 C ATOM 700 CG GLN A 47 -5.209 15.190 -0.197 1.00 0.00 C ATOM 701 CD GLN A 47 -6.139 14.886 -1.377 1.00 0.00 C ATOM 702 OE1 GLN A 47 -5.891 13.975 -2.158 1.00 0.00 O ATOM 703 NE2 GLN A 47 -7.208 15.638 -1.585 1.00 0.00 N ATOM 0 H GLN A 47 -4.563 13.017 -1.493 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.994 13.864 -0.813 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.184 15.838 0.101 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.569 15.435 -1.561 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.427 14.490 0.610 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -5.434 16.189 0.178 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.428 16.400 -0.944 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.812 15.455 -2.386 1.00 0.00 H new ATOM 712 N ASN A 48 -3.730 12.821 1.793 1.00 0.00 N ATOM 713 CA ASN A 48 -3.607 12.428 3.196 1.00 0.00 C ATOM 714 C ASN A 48 -2.655 11.241 3.313 1.00 0.00 C ATOM 715 O ASN A 48 -1.825 11.220 4.221 1.00 0.00 O ATOM 716 CB ASN A 48 -4.973 12.074 3.810 1.00 0.00 C ATOM 717 CG ASN A 48 -5.839 13.303 4.047 1.00 0.00 C ATOM 718 OD1 ASN A 48 -6.133 14.064 3.127 1.00 0.00 O ATOM 719 ND2 ASN A 48 -6.272 13.560 5.266 1.00 0.00 N ATOM 0 H ASN A 48 -4.648 12.630 1.392 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.208 13.276 3.752 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.498 11.385 3.148 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.819 11.553 4.755 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.846 14.385 5.440 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.033 12.934 6.035 1.00 0.00 H new ATOM 726 N VAL A 49 -2.740 10.279 2.387 1.00 0.00 N ATOM 727 CA VAL A 49 -1.822 9.144 2.333 1.00 0.00 C ATOM 728 C VAL A 49 -0.393 9.647 2.148 1.00 0.00 C ATOM 729 O VAL A 49 0.507 9.177 2.833 1.00 0.00 O ATOM 730 CB VAL A 49 -2.242 8.161 1.217 1.00 0.00 C ATOM 731 CG1 VAL A 49 -1.199 7.069 0.929 1.00 0.00 C ATOM 732 CG2 VAL A 49 -3.552 7.475 1.606 1.00 0.00 C ATOM 0 H VAL A 49 -3.450 10.269 1.654 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.864 8.595 3.274 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.349 8.760 0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.564 6.418 0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.263 7.533 0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.029 6.481 1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.848 6.782 0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.413 6.927 2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.331 8.226 1.739 1.00 0.00 H new ATOM 742 N LEU A 50 -0.141 10.577 1.229 1.00 0.00 N ATOM 743 CA LEU A 50 1.219 11.019 0.932 1.00 0.00 C ATOM 744 C LEU A 50 1.786 11.862 2.076 1.00 0.00 C ATOM 745 O LEU A 50 2.971 11.741 2.404 1.00 0.00 O ATOM 746 CB LEU A 50 1.221 11.770 -0.409 1.00 0.00 C ATOM 747 CG LEU A 50 0.999 10.791 -1.585 1.00 0.00 C ATOM 748 CD1 LEU A 50 0.524 11.503 -2.845 1.00 0.00 C ATOM 749 CD2 LEU A 50 2.280 10.031 -1.921 1.00 0.00 C ATOM 0 H LEU A 50 -0.863 11.040 0.676 1.00 0.00 H new ATOM 0 HA LEU A 50 1.876 10.154 0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.438 12.528 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.169 12.292 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 50 0.226 10.097 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.382 10.774 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.420 12.009 -2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.270 12.236 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.092 9.351 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.060 10.739 -2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.603 9.460 -1.051 1.00 0.00 H new ATOM 761 N GLY A 51 0.956 12.676 2.727 1.00 0.00 N ATOM 762 CA GLY A 51 1.371 13.528 3.826 1.00 0.00 C ATOM 763 C GLY A 51 2.096 14.775 3.325 1.00 0.00 C ATOM 764 O GLY A 51 2.321 14.950 2.119 1.00 0.00 O ATOM 0 H GLY A 51 -0.035 12.759 2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.498 13.823 4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.026 12.969 4.494 1.00 0.00 H new ATOM 768 N GLU A 52 2.514 15.622 4.268 1.00 0.00 N ATOM 769 CA GLU A 52 3.200 16.886 4.015 1.00 0.00 C ATOM 770 C GLU A 52 4.432 16.627 3.137 1.00 0.00 C ATOM 771 O GLU A 52 5.402 15.985 3.563 1.00 0.00 O ATOM 772 CB GLU A 52 3.586 17.543 5.350 1.00 0.00 C ATOM 773 CG GLU A 52 4.106 18.988 5.198 1.00 0.00 C ATOM 774 CD GLU A 52 3.028 20.065 5.363 1.00 0.00 C ATOM 775 OE1 GLU A 52 1.930 19.944 4.771 1.00 0.00 O ATOM 776 OE2 GLU A 52 3.267 21.064 6.076 1.00 0.00 O ATOM 0 H GLU A 52 2.378 15.438 5.262 1.00 0.00 H new ATOM 0 HA GLU A 52 2.540 17.572 3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.718 17.545 6.009 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.353 16.939 5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.890 19.159 5.935 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.564 19.096 4.215 1.00 0.00 H new ATOM 783 N LYS A 53 4.368 17.072 1.880 1.00 0.00 N ATOM 784 CA LYS A 53 5.367 16.821 0.838 1.00 0.00 C ATOM 785 C LYS A 53 5.915 15.382 0.872 1.00 0.00 C ATOM 786 O LYS A 53 7.135 15.182 0.818 1.00 0.00 O ATOM 787 CB LYS A 53 6.460 17.908 0.868 1.00 0.00 C ATOM 788 CG LYS A 53 5.922 19.347 0.775 1.00 0.00 C ATOM 789 CD LYS A 53 7.077 20.329 0.522 1.00 0.00 C ATOM 790 CE LYS A 53 6.715 21.785 0.838 1.00 0.00 C ATOM 791 NZ LYS A 53 5.625 22.338 0.011 1.00 0.00 N ATOM 0 H LYS A 53 3.588 17.639 1.547 1.00 0.00 H new ATOM 0 HA LYS A 53 4.874 16.896 -0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.033 17.805 1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.150 17.736 0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.191 19.419 -0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.406 19.611 1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.934 20.035 1.128 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.385 20.256 -0.521 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.429 21.855 1.888 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.603 22.404 0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.444 23.324 0.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.899 22.306 -0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.762 21.775 0.152 1.00 0.00 H new ATOM 805 N GLY A 54 5.043 14.377 0.992 1.00 0.00 N ATOM 806 CA GLY A 54 5.425 12.974 0.918 1.00 0.00 C ATOM 807 C GLY A 54 5.941 12.368 2.230 1.00 0.00 C ATOM 808 O GLY A 54 6.458 11.251 2.204 1.00 0.00 O ATOM 0 H GLY A 54 4.045 14.521 1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.563 12.396 0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.197 12.864 0.157 1.00 0.00 H new ATOM 812 N ARG A 55 5.846 13.051 3.381 1.00 0.00 N ATOM 813 CA ARG A 55 6.354 12.505 4.650 1.00 0.00 C ATOM 814 C ARG A 55 5.757 11.140 4.995 1.00 0.00 C ATOM 815 O ARG A 55 6.518 10.257 5.385 1.00 0.00 O ATOM 816 CB ARG A 55 6.160 13.497 5.814 1.00 0.00 C ATOM 817 CG ARG A 55 7.366 14.448 5.989 1.00 0.00 C ATOM 818 CD ARG A 55 8.052 14.353 7.365 1.00 0.00 C ATOM 819 NE ARG A 55 8.626 13.018 7.613 1.00 0.00 N ATOM 820 CZ ARG A 55 9.829 12.562 7.248 1.00 0.00 C ATOM 821 NH1 ARG A 55 10.776 13.379 6.800 1.00 0.00 N ATOM 822 NH2 ARG A 55 10.059 11.259 7.324 1.00 0.00 N ATOM 0 H ARG A 55 5.425 13.977 3.460 1.00 0.00 H new ATOM 0 HA ARG A 55 7.423 12.354 4.503 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.260 14.086 5.639 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.003 12.941 6.738 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.101 14.231 5.214 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.031 15.473 5.833 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.841 15.103 7.428 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.328 14.586 8.146 1.00 0.00 H new ATOM 0 HE ARG A 55 8.034 12.363 8.125 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.594 14.380 6.728 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.685 13.005 6.528 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.327 10.630 7.655 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.968 10.885 7.052 1.00 0.00 H new ATOM 836 N ARG A 56 4.437 10.946 4.878 1.00 0.00 N ATOM 837 CA ARG A 56 3.825 9.666 5.248 1.00 0.00 C ATOM 838 C ARG A 56 4.331 8.547 4.346 1.00 0.00 C ATOM 839 O ARG A 56 4.665 7.488 4.863 1.00 0.00 O ATOM 840 CB ARG A 56 2.288 9.740 5.201 1.00 0.00 C ATOM 841 CG ARG A 56 1.511 9.832 6.520 1.00 0.00 C ATOM 842 CD ARG A 56 2.166 10.660 7.628 1.00 0.00 C ATOM 843 NE ARG A 56 2.939 9.805 8.537 1.00 0.00 N ATOM 844 CZ ARG A 56 3.712 10.211 9.544 1.00 0.00 C ATOM 845 NH1 ARG A 56 3.849 11.510 9.794 1.00 0.00 N ATOM 846 NH2 ARG A 56 4.345 9.313 10.281 1.00 0.00 N ATOM 0 H ARG A 56 3.782 11.648 4.535 1.00 0.00 H new ATOM 0 HA ARG A 56 4.117 9.447 6.275 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.018 10.607 4.598 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.931 8.858 4.669 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.528 10.254 6.311 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.351 8.821 6.895 1.00 0.00 H new ATOM 0 HD2 ARG A 56 2.820 11.412 7.187 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.399 11.194 8.189 1.00 0.00 H new ATOM 0 HE ARG A 56 2.878 8.799 8.382 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.363 12.195 9.215 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.440 11.821 10.564 1.00 0.00 H new ATOM 0 HH21 ARG A 56 4.239 8.319 10.076 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.939 9.614 11.054 1.00 0.00 H new ATOM 860 N ILE A 57 4.398 8.746 3.028 1.00 0.00 N ATOM 861 CA ILE A 57 4.831 7.668 2.135 1.00 0.00 C ATOM 862 C ILE A 57 6.313 7.331 2.353 1.00 0.00 C ATOM 863 O ILE A 57 6.683 6.156 2.317 1.00 0.00 O ATOM 864 CB ILE A 57 4.457 7.984 0.671 1.00 0.00 C ATOM 865 CG1 ILE A 57 4.823 6.827 -0.284 1.00 0.00 C ATOM 866 CG2 ILE A 57 5.048 9.310 0.164 1.00 0.00 C ATOM 867 CD1 ILE A 57 3.822 6.697 -1.438 1.00 0.00 C ATOM 0 H ILE A 57 4.164 9.623 2.563 1.00 0.00 H new ATOM 0 HA ILE A 57 4.290 6.755 2.384 1.00 0.00 H new ATOM 0 HB ILE A 57 3.373 8.099 0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.822 6.992 -0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.855 5.892 0.275 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.746 9.471 -0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.681 10.131 0.780 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.136 9.270 0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.118 5.871 -2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.827 6.505 -1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.809 7.622 -2.014 1.00 0.00 H new ATOM 879 N ARG A 58 7.159 8.324 2.660 1.00 0.00 N ATOM 880 CA ARG A 58 8.554 8.090 3.042 1.00 0.00 C ATOM 881 C ARG A 58 8.612 7.168 4.256 1.00 0.00 C ATOM 882 O ARG A 58 9.321 6.160 4.211 1.00 0.00 O ATOM 883 CB ARG A 58 9.270 9.429 3.304 1.00 0.00 C ATOM 884 CG ARG A 58 10.194 9.834 2.145 1.00 0.00 C ATOM 885 CD ARG A 58 10.724 11.258 2.367 1.00 0.00 C ATOM 886 NE ARG A 58 12.019 11.519 1.715 1.00 0.00 N ATOM 887 CZ ARG A 58 12.245 11.934 0.463 1.00 0.00 C ATOM 888 NH1 ARG A 58 11.296 11.935 -0.469 1.00 0.00 N ATOM 889 NH2 ARG A 58 13.460 12.375 0.163 1.00 0.00 N ATOM 0 H ARG A 58 6.894 9.309 2.650 1.00 0.00 H new ATOM 0 HA ARG A 58 9.076 7.597 2.222 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.527 10.210 3.463 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.854 9.353 4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.027 9.135 2.072 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.651 9.783 1.201 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.989 11.971 1.993 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.825 11.435 3.438 1.00 0.00 H new ATOM 0 HE ARG A 58 12.847 11.364 2.290 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.356 11.612 -0.240 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.508 12.259 -1.413 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.188 12.390 0.877 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.666 12.699 -0.782 1.00 0.00 H new ATOM 903 N GLU A 59 7.857 7.498 5.308 1.00 0.00 N ATOM 904 CA GLU A 59 7.688 6.664 6.495 1.00 0.00 C ATOM 905 C GLU A 59 7.249 5.263 6.081 1.00 0.00 C ATOM 906 O GLU A 59 7.987 4.311 6.311 1.00 0.00 O ATOM 907 CB GLU A 59 6.686 7.317 7.471 1.00 0.00 C ATOM 908 CG GLU A 59 7.382 7.920 8.697 1.00 0.00 C ATOM 909 CD GLU A 59 7.629 6.902 9.817 1.00 0.00 C ATOM 910 OE1 GLU A 59 7.993 5.743 9.541 1.00 0.00 O ATOM 911 OE2 GLU A 59 7.494 7.293 11.004 1.00 0.00 O ATOM 0 H GLU A 59 7.336 8.373 5.356 1.00 0.00 H new ATOM 0 HA GLU A 59 8.640 6.576 7.019 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.130 8.097 6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.960 6.572 7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.335 8.350 8.390 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.774 8.737 9.086 1.00 0.00 H new ATOM 918 N LEU A 60 6.092 5.121 5.425 1.00 0.00 N ATOM 919 CA LEU A 60 5.536 3.815 5.085 1.00 0.00 C ATOM 920 C LEU A 60 6.485 2.980 4.240 1.00 0.00 C ATOM 921 O LEU A 60 6.557 1.779 4.469 1.00 0.00 O ATOM 922 CB LEU A 60 4.140 3.908 4.459 1.00 0.00 C ATOM 923 CG LEU A 60 3.038 4.329 5.454 1.00 0.00 C ATOM 924 CD1 LEU A 60 1.668 4.127 4.800 1.00 0.00 C ATOM 925 CD2 LEU A 60 3.042 3.541 6.773 1.00 0.00 C ATOM 0 H LEU A 60 5.520 5.907 5.118 1.00 0.00 H new ATOM 0 HA LEU A 60 5.414 3.289 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.167 4.624 3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.879 2.940 4.030 1.00 0.00 H new ATOM 0 HG LEU A 60 3.240 5.372 5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.885 4.423 5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.601 4.737 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.542 3.077 4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.237 3.900 7.414 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.895 2.481 6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.998 3.682 7.278 1.00 0.00 H new ATOM 937 N THR A 61 7.266 3.582 3.344 1.00 0.00 N ATOM 938 CA THR A 61 8.295 2.862 2.607 1.00 0.00 C ATOM 939 C THR A 61 9.274 2.213 3.596 1.00 0.00 C ATOM 940 O THR A 61 9.582 1.031 3.462 1.00 0.00 O ATOM 941 CB THR A 61 9.002 3.819 1.632 1.00 0.00 C ATOM 942 OG1 THR A 61 8.082 4.463 0.768 1.00 0.00 O ATOM 943 CG2 THR A 61 10.061 3.110 0.779 1.00 0.00 C ATOM 0 H THR A 61 7.202 4.573 3.112 1.00 0.00 H new ATOM 0 HA THR A 61 7.846 2.065 2.014 1.00 0.00 H new ATOM 0 HB THR A 61 9.495 4.562 2.259 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.561 5.119 1.276 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.530 3.830 0.108 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.819 2.673 1.429 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.588 2.322 0.192 1.00 0.00 H new ATOM 951 N ALA A 62 9.760 2.962 4.589 1.00 0.00 N ATOM 952 CA ALA A 62 10.737 2.493 5.561 1.00 0.00 C ATOM 953 C ALA A 62 10.141 1.456 6.520 1.00 0.00 C ATOM 954 O ALA A 62 10.820 0.470 6.825 1.00 0.00 O ATOM 955 CB ALA A 62 11.286 3.699 6.333 1.00 0.00 C ATOM 0 H ALA A 62 9.476 3.930 4.738 1.00 0.00 H new ATOM 0 HA ALA A 62 11.547 1.994 5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.019 3.360 7.065 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.761 4.391 5.637 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.469 4.205 6.847 1.00 0.00 H new ATOM 961 N VAL A 63 8.919 1.650 7.028 1.00 0.00 N ATOM 962 CA VAL A 63 8.300 0.647 7.896 1.00 0.00 C ATOM 963 C VAL A 63 8.008 -0.629 7.089 1.00 0.00 C ATOM 964 O VAL A 63 8.383 -1.703 7.553 1.00 0.00 O ATOM 965 CB VAL A 63 7.110 1.203 8.718 1.00 0.00 C ATOM 966 CG1 VAL A 63 6.102 2.014 7.937 1.00 0.00 C ATOM 967 CG2 VAL A 63 6.346 0.097 9.444 1.00 0.00 C ATOM 0 H VAL A 63 8.349 2.478 6.856 1.00 0.00 H new ATOM 0 HA VAL A 63 9.009 0.363 8.674 1.00 0.00 H new ATOM 0 HB VAL A 63 7.601 1.875 9.422 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.312 2.355 8.606 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.596 2.877 7.491 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.669 1.396 7.150 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.521 0.534 10.007 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.953 -0.612 8.716 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.018 -0.421 10.128 1.00 0.00 H new ATOM 977 N VAL A 64 7.437 -0.543 5.879 1.00 0.00 N ATOM 978 CA VAL A 64 7.222 -1.699 5.001 1.00 0.00 C ATOM 979 C VAL A 64 8.548 -2.410 4.762 1.00 0.00 C ATOM 980 O VAL A 64 8.612 -3.635 4.880 1.00 0.00 O ATOM 981 CB VAL A 64 6.527 -1.271 3.687 1.00 0.00 C ATOM 982 CG1 VAL A 64 6.603 -2.326 2.574 1.00 0.00 C ATOM 983 CG2 VAL A 64 5.046 -0.960 3.955 1.00 0.00 C ATOM 0 H VAL A 64 7.110 0.337 5.481 1.00 0.00 H new ATOM 0 HA VAL A 64 6.549 -2.407 5.485 1.00 0.00 H new ATOM 0 HB VAL A 64 7.066 -0.389 3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.094 -1.954 1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.647 -2.529 2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.122 -3.245 2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.563 -0.659 3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.553 -1.849 4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.970 -0.151 4.681 1.00 0.00 H new ATOM 993 N GLN A 65 9.610 -1.653 4.477 1.00 0.00 N ATOM 994 CA GLN A 65 10.939 -2.194 4.301 1.00 0.00 C ATOM 995 C GLN A 65 11.344 -3.061 5.495 1.00 0.00 C ATOM 996 O GLN A 65 11.805 -4.178 5.280 1.00 0.00 O ATOM 997 CB GLN A 65 11.937 -1.066 3.995 1.00 0.00 C ATOM 998 CG GLN A 65 12.172 -0.839 2.494 1.00 0.00 C ATOM 999 CD GLN A 65 13.364 0.089 2.279 1.00 0.00 C ATOM 1000 OE1 GLN A 65 13.216 1.248 1.889 1.00 0.00 O ATOM 1001 NE2 GLN A 65 14.563 -0.390 2.577 1.00 0.00 N ATOM 0 H GLN A 65 9.560 -0.641 4.363 1.00 0.00 H new ATOM 0 HA GLN A 65 10.945 -2.859 3.438 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.573 -0.140 4.441 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.890 -1.297 4.472 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.351 -1.793 1.999 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.280 -0.407 2.040 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.662 -1.353 2.898 1.00 0.00 H new ATOM 0 HE22 GLN A 65 15.387 0.204 2.485 1.00 0.00 H new ATOM 1010 N LYS A 66 11.132 -2.602 6.733 1.00 0.00 N ATOM 1011 CA LYS A 66 11.501 -3.376 7.915 1.00 0.00 C ATOM 1012 C LYS A 66 10.578 -4.569 8.116 1.00 0.00 C ATOM 1013 O LYS A 66 11.058 -5.687 8.289 1.00 0.00 O ATOM 1014 CB LYS A 66 11.552 -2.472 9.162 1.00 0.00 C ATOM 1015 CG LYS A 66 13.019 -2.136 9.441 1.00 0.00 C ATOM 1016 CD LYS A 66 13.234 -1.315 10.708 1.00 0.00 C ATOM 1017 CE LYS A 66 14.739 -1.336 10.979 1.00 0.00 C ATOM 1018 NZ LYS A 66 15.110 -0.538 12.156 1.00 0.00 N ATOM 0 H LYS A 66 10.707 -1.698 6.939 1.00 0.00 H new ATOM 0 HA LYS A 66 12.501 -3.779 7.755 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.977 -1.561 8.996 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.107 -2.978 10.019 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.585 -3.064 9.520 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.424 -1.587 8.591 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.876 -0.294 10.576 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.681 -1.740 11.546 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.064 -2.366 11.125 1.00 0.00 H new ATOM 0 HE3 LYS A 66 15.268 -0.956 10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.139 -0.585 12.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.825 0.451 12.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.628 -0.915 12.997 1.00 0.00 H new ATOM 1032 N ARG A 67 9.265 -4.347 8.096 1.00 0.00 N ATOM 1033 CA ARG A 67 8.252 -5.353 8.411 1.00 0.00 C ATOM 1034 C ARG A 67 8.356 -6.543 7.460 1.00 0.00 C ATOM 1035 O ARG A 67 8.176 -7.683 7.885 1.00 0.00 O ATOM 1036 CB ARG A 67 6.871 -4.684 8.305 1.00 0.00 C ATOM 1037 CG ARG A 67 5.772 -5.172 9.264 1.00 0.00 C ATOM 1038 CD ARG A 67 5.299 -6.610 9.025 1.00 0.00 C ATOM 1039 NE ARG A 67 5.964 -7.561 9.931 1.00 0.00 N ATOM 1040 CZ ARG A 67 5.477 -8.048 11.079 1.00 0.00 C ATOM 1041 NH1 ARG A 67 4.289 -7.662 11.539 1.00 0.00 N ATOM 1042 NH2 ARG A 67 6.190 -8.940 11.755 1.00 0.00 N ATOM 0 H ARG A 67 8.866 -3.440 7.854 1.00 0.00 H new ATOM 0 HA ARG A 67 8.404 -5.735 9.420 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.003 -3.613 8.461 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.510 -4.816 7.285 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.140 -5.091 10.287 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.914 -4.504 9.181 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.220 -6.666 9.167 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.499 -6.892 7.991 1.00 0.00 H new ATOM 0 HE ARG A 67 6.892 -7.882 9.655 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.735 -6.985 11.015 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.933 -8.043 12.416 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.096 -9.245 11.398 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.833 -9.320 12.631 1.00 0.00 H new ATOM 1056 N PHE A 68 8.612 -6.288 6.176 1.00 0.00 N ATOM 1057 CA PHE A 68 8.585 -7.295 5.120 1.00 0.00 C ATOM 1058 C PHE A 68 10.001 -7.642 4.627 1.00 0.00 C ATOM 1059 O PHE A 68 10.151 -8.447 3.703 1.00 0.00 O ATOM 1060 CB PHE A 68 7.624 -6.815 4.013 1.00 0.00 C ATOM 1061 CG PHE A 68 6.172 -6.733 4.454 1.00 0.00 C ATOM 1062 CD1 PHE A 68 5.338 -7.865 4.349 1.00 0.00 C ATOM 1063 CD2 PHE A 68 5.665 -5.548 5.015 1.00 0.00 C ATOM 1064 CE1 PHE A 68 4.022 -7.830 4.854 1.00 0.00 C ATOM 1065 CE2 PHE A 68 4.355 -5.511 5.517 1.00 0.00 C ATOM 1066 CZ PHE A 68 3.541 -6.652 5.454 1.00 0.00 C ATOM 0 H PHE A 68 8.849 -5.356 5.837 1.00 0.00 H new ATOM 0 HA PHE A 68 8.200 -8.240 5.503 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.945 -5.832 3.667 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.698 -7.492 3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.709 -8.764 3.879 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.285 -4.665 5.060 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.388 -8.701 4.781 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.972 -4.601 5.954 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.543 -6.626 5.867 1.00 0.00 H new ATOM 1076 N GLY A 69 11.051 -7.078 5.237 1.00 0.00 N ATOM 1077 CA GLY A 69 12.443 -7.376 4.912 1.00 0.00 C ATOM 1078 C GLY A 69 12.827 -6.945 3.495 1.00 0.00 C ATOM 1079 O GLY A 69 13.690 -7.579 2.870 1.00 0.00 O ATOM 0 H GLY A 69 10.950 -6.390 5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.094 -6.874 5.628 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.615 -8.447 5.020 1.00 0.00 H new ATOM 1083 N PHE A 70 12.154 -5.932 2.934 1.00 0.00 N ATOM 1084 CA PHE A 70 12.428 -5.529 1.562 1.00 0.00 C ATOM 1085 C PHE A 70 13.830 -4.920 1.476 1.00 0.00 C ATOM 1086 O PHE A 70 14.262 -4.227 2.404 1.00 0.00 O ATOM 1087 CB PHE A 70 11.399 -4.539 1.000 1.00 0.00 C ATOM 1088 CG PHE A 70 10.108 -5.163 0.521 1.00 0.00 C ATOM 1089 CD1 PHE A 70 10.089 -5.913 -0.670 1.00 0.00 C ATOM 1090 CD2 PHE A 70 8.916 -4.957 1.236 1.00 0.00 C ATOM 1091 CE1 PHE A 70 8.889 -6.472 -1.133 1.00 0.00 C ATOM 1092 CE2 PHE A 70 7.709 -5.498 0.763 1.00 0.00 C ATOM 1093 CZ PHE A 70 7.696 -6.256 -0.424 1.00 0.00 C ATOM 0 H PHE A 70 11.430 -5.389 3.404 1.00 0.00 H new ATOM 0 HA PHE A 70 12.361 -6.429 0.951 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.166 -3.804 1.770 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.853 -3.998 0.170 1.00 0.00 H new ATOM 0 HD1 PHE A 70 11.002 -6.058 -1.229 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.928 -4.382 2.150 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.882 -7.068 -2.034 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.792 -5.333 1.309 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.768 -6.671 -0.789 1.00 0.00 H new ATOM 1103 N PRO A 71 14.527 -5.136 0.351 1.00 0.00 N ATOM 1104 CA PRO A 71 15.661 -4.315 -0.043 1.00 0.00 C ATOM 1105 C PRO A 71 15.222 -2.869 -0.296 1.00 0.00 C ATOM 1106 O PRO A 71 14.032 -2.580 -0.446 1.00 0.00 O ATOM 1107 CB PRO A 71 16.202 -4.970 -1.314 1.00 0.00 C ATOM 1108 CG PRO A 71 15.012 -5.726 -1.893 1.00 0.00 C ATOM 1109 CD PRO A 71 14.203 -6.115 -0.676 1.00 0.00 C ATOM 0 HA PRO A 71 16.424 -4.262 0.734 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.577 -4.225 -2.015 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.030 -5.644 -1.092 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.434 -5.101 -2.574 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.331 -6.602 -2.458 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.136 -6.108 -0.898 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.454 -7.123 -0.347 1.00 0.00 H new ATOM 1117 N GLU A 72 16.187 -1.955 -0.374 1.00 0.00 N ATOM 1118 CA GLU A 72 15.924 -0.555 -0.676 1.00 0.00 C ATOM 1119 C GLU A 72 15.943 -0.366 -2.195 1.00 0.00 C ATOM 1120 O GLU A 72 16.685 -1.064 -2.901 1.00 0.00 O ATOM 1121 CB GLU A 72 16.969 0.317 0.037 1.00 0.00 C ATOM 1122 CG GLU A 72 16.534 1.783 0.103 1.00 0.00 C ATOM 1123 CD GLU A 72 17.276 2.630 1.139 1.00 0.00 C ATOM 1124 OE1 GLU A 72 18.245 2.171 1.790 1.00 0.00 O ATOM 1125 OE2 GLU A 72 16.788 3.751 1.402 1.00 0.00 O ATOM 0 H GLU A 72 17.174 -2.168 -0.229 1.00 0.00 H new ATOM 0 HA GLU A 72 14.942 -0.251 -0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 72 17.130 -0.061 1.047 1.00 0.00 H new ATOM 0 HB3 GLU A 72 17.922 0.244 -0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.674 2.233 -0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.467 1.821 0.322 1.00 0.00 H new ATOM 1132 N GLY A 73 15.139 0.567 -2.710 1.00 0.00 N ATOM 1133 CA GLY A 73 15.041 0.912 -4.127 1.00 0.00 C ATOM 1134 C GLY A 73 14.211 -0.099 -4.918 1.00 0.00 C ATOM 1135 O GLY A 73 13.308 0.290 -5.666 1.00 0.00 O ATOM 0 H GLY A 73 14.514 1.124 -2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.595 1.901 -4.227 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.042 0.969 -4.554 1.00 0.00 H new ATOM 1139 N SER A 74 14.463 -1.389 -4.701 1.00 0.00 N ATOM 1140 CA SER A 74 13.715 -2.515 -5.241 1.00 0.00 C ATOM 1141 C SER A 74 12.332 -2.670 -4.588 1.00 0.00 C ATOM 1142 O SER A 74 11.646 -3.657 -4.862 1.00 0.00 O ATOM 1143 CB SER A 74 14.555 -3.785 -5.085 1.00 0.00 C ATOM 1144 OG SER A 74 15.668 -3.757 -5.954 1.00 0.00 O ATOM 0 H SER A 74 15.238 -1.689 -4.110 1.00 0.00 H new ATOM 0 HA SER A 74 13.523 -2.330 -6.298 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.895 -3.878 -4.054 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.942 -4.661 -5.299 1.00 0.00 H new ATOM 0 HG SER A 74 16.194 -4.576 -5.839 1.00 0.00 H new ATOM 1150 N VAL A 75 11.887 -1.712 -3.773 1.00 0.00 N ATOM 1151 CA VAL A 75 10.495 -1.546 -3.396 1.00 0.00 C ATOM 1152 C VAL A 75 10.139 -0.088 -3.687 1.00 0.00 C ATOM 1153 O VAL A 75 10.837 0.826 -3.241 1.00 0.00 O ATOM 1154 CB VAL A 75 10.260 -2.035 -1.945 1.00 0.00 C ATOM 1155 CG1 VAL A 75 10.898 -1.166 -0.845 1.00 0.00 C ATOM 1156 CG2 VAL A 75 8.762 -2.192 -1.649 1.00 0.00 C ATOM 0 H VAL A 75 12.504 -1.018 -3.351 1.00 0.00 H new ATOM 0 HA VAL A 75 9.812 -2.168 -3.974 1.00 0.00 H new ATOM 0 HB VAL A 75 10.768 -2.999 -1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.675 -1.594 0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.978 -1.133 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.493 -0.155 -0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.628 -2.536 -0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.263 -1.231 -1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.330 -2.920 -2.336 1.00 0.00 H new ATOM 1166 N GLU A 76 9.077 0.116 -4.464 1.00 0.00 N ATOM 1167 CA GLU A 76 8.442 1.402 -4.680 1.00 0.00 C ATOM 1168 C GLU A 76 7.068 1.339 -4.041 1.00 0.00 C ATOM 1169 O GLU A 76 6.392 0.305 -4.060 1.00 0.00 O ATOM 1170 CB GLU A 76 8.274 1.703 -6.179 1.00 0.00 C ATOM 1171 CG GLU A 76 9.385 2.601 -6.722 1.00 0.00 C ATOM 1172 CD GLU A 76 9.129 4.083 -6.447 1.00 0.00 C ATOM 1173 OE1 GLU A 76 9.146 4.483 -5.260 1.00 0.00 O ATOM 1174 OE2 GLU A 76 9.028 4.889 -7.404 1.00 0.00 O ATOM 0 H GLU A 76 8.624 -0.641 -4.976 1.00 0.00 H new ATOM 0 HA GLU A 76 9.061 2.187 -4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.263 0.766 -6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.309 2.183 -6.344 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.335 2.310 -6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.480 2.446 -7.797 1.00 0.00 H new ATOM 1181 N LEU A 77 6.645 2.487 -3.526 1.00 0.00 N ATOM 1182 CA LEU A 77 5.313 2.692 -2.985 1.00 0.00 C ATOM 1183 C LEU A 77 4.680 3.814 -3.793 1.00 0.00 C ATOM 1184 O LEU A 77 5.333 4.809 -4.112 1.00 0.00 O ATOM 1185 CB LEU A 77 5.337 3.057 -1.488 1.00 0.00 C ATOM 1186 CG LEU A 77 5.342 1.857 -0.520 1.00 0.00 C ATOM 1187 CD1 LEU A 77 6.671 1.098 -0.505 1.00 0.00 C ATOM 1188 CD2 LEU A 77 5.036 2.358 0.897 1.00 0.00 C ATOM 0 H LEU A 77 7.234 3.318 -3.473 1.00 0.00 H new ATOM 0 HA LEU A 77 4.740 1.768 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.221 3.665 -1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.468 3.678 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 77 4.580 1.160 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.607 0.266 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.883 0.715 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.471 1.771 -0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.037 1.516 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.796 3.078 1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.057 2.837 0.910 1.00 0.00 H new ATOM 1200 N TYR A 78 3.396 3.664 -4.080 1.00 0.00 N ATOM 1201 CA TYR A 78 2.563 4.595 -4.815 1.00 0.00 C ATOM 1202 C TYR A 78 1.249 4.785 -4.048 1.00 0.00 C ATOM 1203 O TYR A 78 0.938 3.993 -3.146 1.00 0.00 O ATOM 1204 CB TYR A 78 2.338 4.000 -6.206 1.00 0.00 C ATOM 1205 CG TYR A 78 3.606 3.633 -6.963 1.00 0.00 C ATOM 1206 CD1 TYR A 78 4.345 4.644 -7.609 1.00 0.00 C ATOM 1207 CD2 TYR A 78 4.060 2.296 -7.024 1.00 0.00 C ATOM 1208 CE1 TYR A 78 5.458 4.315 -8.404 1.00 0.00 C ATOM 1209 CE2 TYR A 78 5.155 1.968 -7.832 1.00 0.00 C ATOM 1210 CZ TYR A 78 5.843 2.967 -8.552 1.00 0.00 C ATOM 1211 OH TYR A 78 6.857 2.635 -9.391 1.00 0.00 O ATOM 0 H TYR A 78 2.878 2.836 -3.786 1.00 0.00 H new ATOM 0 HA TYR A 78 3.027 5.576 -4.921 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.721 3.107 -6.107 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.771 4.715 -6.803 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.055 5.678 -7.493 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.563 1.529 -6.448 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.017 5.094 -8.900 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.476 0.940 -7.905 1.00 0.00 H new ATOM 0 HH TYR A 78 6.557 1.931 -10.004 1.00 0.00 H new ATOM 1221 N ALA A 79 0.472 5.817 -4.388 1.00 0.00 N ATOM 1222 CA ALA A 79 -0.773 6.151 -3.705 1.00 0.00 C ATOM 1223 C ALA A 79 -1.791 6.613 -4.742 1.00 0.00 C ATOM 1224 O ALA A 79 -1.671 7.717 -5.277 1.00 0.00 O ATOM 1225 CB ALA A 79 -0.510 7.243 -2.658 1.00 0.00 C ATOM 0 H ALA A 79 0.696 6.450 -5.156 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.170 5.278 -3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.441 7.491 -2.149 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.216 6.882 -1.930 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.118 8.133 -3.151 1.00 0.00 H new ATOM 1231 N GLU A 80 -2.804 5.785 -4.989 1.00 0.00 N ATOM 1232 CA GLU A 80 -3.837 5.989 -5.990 1.00 0.00 C ATOM 1233 C GLU A 80 -5.182 6.255 -5.319 1.00 0.00 C ATOM 1234 O GLU A 80 -5.418 5.832 -4.180 1.00 0.00 O ATOM 1235 CB GLU A 80 -3.927 4.724 -6.852 1.00 0.00 C ATOM 1236 CG GLU A 80 -4.749 4.848 -8.147 1.00 0.00 C ATOM 1237 CD GLU A 80 -4.319 6.003 -9.059 1.00 0.00 C ATOM 1238 OE1 GLU A 80 -4.504 7.177 -8.666 1.00 0.00 O ATOM 1239 OE2 GLU A 80 -3.826 5.737 -10.178 1.00 0.00 O ATOM 0 H GLU A 80 -2.928 4.915 -4.471 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.587 6.852 -6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.915 4.415 -7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.357 3.926 -6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.672 3.914 -8.703 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.799 4.978 -7.886 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.085 6.944 -6.017 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.385 7.264 -5.469 1.00 0.00 C ATOM 1248 C LYS A 81 -8.452 6.266 -5.891 1.00 0.00 C ATOM 1249 O LYS A 81 -8.548 5.880 -7.058 1.00 0.00 O ATOM 1250 CB LYS A 81 -7.784 8.676 -5.875 1.00 0.00 C ATOM 1251 CG LYS A 81 -8.506 9.314 -4.695 1.00 0.00 C ATOM 1252 CD LYS A 81 -9.242 10.596 -5.069 1.00 0.00 C ATOM 1253 CE LYS A 81 -8.336 11.814 -5.276 1.00 0.00 C ATOM 1254 NZ LYS A 81 -7.647 11.822 -6.582 1.00 0.00 N ATOM 0 H LYS A 81 -5.931 7.288 -6.965 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.308 7.205 -4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.903 9.259 -6.144 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.431 8.653 -6.752 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.219 8.600 -4.283 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.783 9.533 -3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.808 10.421 -5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.965 10.826 -4.286 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.934 12.721 -5.184 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.591 11.842 -4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.546 12.802 -6.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.705 11.392 -6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.204 11.277 -7.271 1.00 0.00 H new ATOM 1268 N VAL A 82 -9.327 5.957 -4.943 1.00 0.00 N ATOM 1269 CA VAL A 82 -10.573 5.248 -5.180 1.00 0.00 C ATOM 1270 C VAL A 82 -11.491 6.176 -5.979 1.00 0.00 C ATOM 1271 O VAL A 82 -11.414 7.409 -5.865 1.00 0.00 O ATOM 1272 CB VAL A 82 -11.185 4.837 -3.823 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -12.484 4.030 -3.956 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -10.221 4.001 -2.965 1.00 0.00 C ATOM 0 H VAL A 82 -9.184 6.200 -3.963 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.420 4.334 -5.754 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.395 5.791 -3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.857 3.776 -2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.230 4.625 -4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.288 3.115 -4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.704 3.741 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -9.955 3.090 -3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.319 4.579 -2.762 1.00 0.00 H new