USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 493 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 129 TYR OH : rot 30:sc= 0.408 USER MOD Set 1.2: A 133 LYS NZ :NH3+ 178:sc= 0.676 (180deg=-0.231) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0334 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 135:sc= -0.109 (180deg=-1.02) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 154:sc= -0.492 (180deg=-0.924) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot -146:sc= 1.13 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= -0.898! USER MOD Single : A 105 THR OG1 : rot 81:sc= 0.268 USER MOD Single : A 107 ASN : amide:sc= -0.647! K(o=-0.65!,f=-1.3) USER MOD Single : A 108 THR OG1 : rot -67:sc= 0.99 USER MOD Single : A 109 SER OG : rot 170:sc= -0.375! USER MOD Single : A 110 CYS SG : rot -49:sc= -0.256 USER MOD Single : A 118 CYS SG : rot 50:sc= 0.0152 USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 127 LYS NZ :NH3+ 164:sc= -0.004 (180deg=-0.115) USER MOD Single : A 130 HIS : no HE2:sc= -0.99 K(o=-0.99,f=-2.4!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0904) USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 62 -12.113 -2.383 -5.082 1.00 0.00 N ATOM 79 CA THR A 62 -12.457 -3.166 -3.899 1.00 0.00 C ATOM 80 C THR A 62 -11.211 -3.395 -3.044 1.00 0.00 C ATOM 81 O THR A 62 -10.101 -3.465 -3.571 1.00 0.00 O ATOM 82 CB THR A 62 -13.041 -4.515 -4.332 1.00 0.00 C ATOM 83 OG1 THR A 62 -12.007 -5.319 -4.884 1.00 0.00 O ATOM 84 CG2 THR A 62 -14.126 -4.286 -5.385 1.00 0.00 C ATOM 0 HA THR A 62 -13.196 -2.622 -3.311 1.00 0.00 H new ATOM 0 HB THR A 62 -13.475 -5.020 -3.469 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.377 -6.183 -5.161 1.00 0.00 H new ATOM 0 HG21 THR A 62 -14.542 -5.245 -5.693 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.917 -3.666 -4.963 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.693 -3.783 -6.250 1.00 0.00 H new ATOM 92 N PRO A 63 -11.362 -3.512 -1.745 1.00 0.00 N ATOM 93 CA PRO A 63 -10.207 -3.735 -0.825 1.00 0.00 C ATOM 94 C PRO A 63 -9.382 -4.954 -1.238 1.00 0.00 C ATOM 95 O PRO A 63 -8.153 -4.942 -1.153 1.00 0.00 O ATOM 96 CB PRO A 63 -10.852 -3.938 0.559 1.00 0.00 C ATOM 97 CG PRO A 63 -12.314 -4.142 0.309 1.00 0.00 C ATOM 98 CD PRO A 63 -12.633 -3.447 -1.011 1.00 0.00 C ATOM 0 HA PRO A 63 -9.508 -2.899 -0.838 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.420 -4.799 1.068 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.683 -3.072 1.199 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -12.553 -5.204 0.255 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.908 -3.722 1.121 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.434 -3.954 -1.549 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.955 -2.417 -0.856 1.00 0.00 H new ATOM 106 N GLU A 64 -10.067 -5.999 -1.691 1.00 0.00 N ATOM 107 CA GLU A 64 -9.387 -7.216 -2.118 1.00 0.00 C ATOM 108 C GLU A 64 -8.591 -6.958 -3.393 1.00 0.00 C ATOM 109 O GLU A 64 -7.470 -7.446 -3.547 1.00 0.00 O ATOM 110 CB GLU A 64 -10.411 -8.325 -2.367 1.00 0.00 C ATOM 111 CG GLU A 64 -9.681 -9.636 -2.664 1.00 0.00 C ATOM 112 CD GLU A 64 -10.689 -10.765 -2.847 1.00 0.00 C ATOM 113 OE1 GLU A 64 -11.404 -10.740 -3.834 1.00 0.00 O ATOM 114 OE2 GLU A 64 -10.732 -11.637 -1.994 1.00 0.00 O ATOM 0 H GLU A 64 -11.083 -6.028 -1.771 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.702 -7.527 -1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.054 -8.444 -1.495 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.056 -8.058 -3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.076 -9.529 -3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.999 -9.875 -1.848 1.00 0.00 H new ATOM 121 N GLN A 65 -9.175 -6.185 -4.304 1.00 0.00 N ATOM 122 CA GLN A 65 -8.509 -5.867 -5.561 1.00 0.00 C ATOM 123 C GLN A 65 -7.213 -5.107 -5.298 1.00 0.00 C ATOM 124 O GLN A 65 -6.138 -5.534 -5.716 1.00 0.00 O ATOM 125 CB GLN A 65 -9.431 -5.021 -6.442 1.00 0.00 C ATOM 126 CG GLN A 65 -8.747 -4.746 -7.782 1.00 0.00 C ATOM 127 CD GLN A 65 -9.758 -4.192 -8.780 1.00 0.00 C ATOM 128 OE1 GLN A 65 -9.890 -4.714 -9.886 1.00 0.00 O ATOM 129 NE2 GLN A 65 -10.486 -3.159 -8.452 1.00 0.00 N ATOM 0 H GLN A 65 -10.101 -5.771 -4.196 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.274 -6.799 -6.075 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.375 -5.542 -6.604 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.667 -4.081 -5.943 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.932 -4.035 -7.645 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.306 -5.664 -8.170 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.375 -2.728 -7.534 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.166 -2.783 -9.113 1.00 0.00 H new ATOM 138 N MET A 66 -7.323 -3.981 -4.600 1.00 0.00 N ATOM 139 CA MET A 66 -6.150 -3.176 -4.286 1.00 0.00 C ATOM 140 C MET A 66 -5.125 -4.012 -3.527 1.00 0.00 C ATOM 141 O MET A 66 -3.919 -3.846 -3.704 1.00 0.00 O ATOM 142 CB MET A 66 -6.556 -1.964 -3.439 1.00 0.00 C ATOM 143 CG MET A 66 -7.244 -2.439 -2.160 1.00 0.00 C ATOM 144 SD MET A 66 -7.691 -1.007 -1.145 1.00 0.00 S ATOM 145 CE MET A 66 -8.993 -0.350 -2.218 1.00 0.00 C ATOM 0 H MET A 66 -8.204 -3.609 -4.244 1.00 0.00 H new ATOM 0 HA MET A 66 -5.705 -2.829 -5.219 1.00 0.00 H new ATOM 0 HB2 MET A 66 -5.676 -1.370 -3.191 1.00 0.00 H new ATOM 0 HB3 MET A 66 -7.227 -1.319 -4.007 1.00 0.00 H new ATOM 0 HG2 MET A 66 -8.136 -3.015 -2.407 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.581 -3.100 -1.602 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.858 -0.076 -1.614 1.00 0.00 H new ATOM 0 HE2 MET A 66 -8.623 0.531 -2.742 1.00 0.00 H new ATOM 0 HE3 MET A 66 -9.283 -1.109 -2.945 1.00 0.00 H new ATOM 155 N ALA A 67 -5.619 -4.911 -2.682 1.00 0.00 N ATOM 156 CA ALA A 67 -4.738 -5.772 -1.898 1.00 0.00 C ATOM 157 C ALA A 67 -3.933 -6.687 -2.812 1.00 0.00 C ATOM 158 O ALA A 67 -2.763 -6.968 -2.555 1.00 0.00 O ATOM 159 CB ALA A 67 -5.565 -6.616 -0.926 1.00 0.00 C ATOM 0 H ALA A 67 -6.615 -5.062 -2.523 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.049 -5.142 -1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.901 -7.256 -0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.118 -5.960 -0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.266 -7.234 -1.487 1.00 0.00 H new ATOM 165 N LYS A 68 -4.569 -7.150 -3.882 1.00 0.00 N ATOM 166 CA LYS A 68 -3.906 -8.035 -4.830 1.00 0.00 C ATOM 167 C LYS A 68 -2.829 -7.281 -5.606 1.00 0.00 C ATOM 168 O LYS A 68 -1.703 -7.759 -5.746 1.00 0.00 O ATOM 169 CB LYS A 68 -4.932 -8.613 -5.807 1.00 0.00 C ATOM 170 CG LYS A 68 -5.738 -9.714 -5.111 1.00 0.00 C ATOM 171 CD LYS A 68 -6.824 -10.227 -6.059 1.00 0.00 C ATOM 172 CE LYS A 68 -7.452 -11.495 -5.474 1.00 0.00 C ATOM 173 NZ LYS A 68 -8.641 -11.879 -6.285 1.00 0.00 N ATOM 0 H LYS A 68 -5.537 -6.928 -4.113 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.435 -8.846 -4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.599 -7.826 -6.158 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.427 -9.017 -6.684 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.080 -10.532 -4.818 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.190 -9.327 -4.198 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.588 -9.463 -6.203 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.396 -10.438 -7.039 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.724 -12.306 -5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.745 -11.324 -4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.068 -12.740 -5.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.338 -11.107 -6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.348 -12.058 -7.267 1.00 0.00 H new ATOM 187 N GLU A 69 -3.183 -6.101 -6.107 1.00 0.00 N ATOM 188 CA GLU A 69 -2.241 -5.287 -6.870 1.00 0.00 C ATOM 189 C GLU A 69 -1.083 -4.832 -5.988 1.00 0.00 C ATOM 190 O GLU A 69 0.061 -4.752 -6.438 1.00 0.00 O ATOM 191 CB GLU A 69 -2.956 -4.064 -7.447 1.00 0.00 C ATOM 192 CG GLU A 69 -3.952 -4.512 -8.518 1.00 0.00 C ATOM 193 CD GLU A 69 -3.205 -4.939 -9.778 1.00 0.00 C ATOM 194 OE1 GLU A 69 -2.494 -4.114 -10.330 1.00 0.00 O ATOM 195 OE2 GLU A 69 -3.353 -6.083 -10.171 1.00 0.00 O ATOM 0 H GLU A 69 -4.110 -5.689 -6.000 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.844 -5.894 -7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.476 -3.526 -6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.230 -3.374 -7.877 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.554 -5.340 -8.143 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.639 -3.699 -8.751 1.00 0.00 H new ATOM 202 N MET A 70 -1.384 -4.535 -4.731 1.00 0.00 N ATOM 203 CA MET A 70 -0.359 -4.090 -3.797 1.00 0.00 C ATOM 204 C MET A 70 0.566 -5.247 -3.432 1.00 0.00 C ATOM 205 O MET A 70 1.776 -5.186 -3.653 1.00 0.00 O ATOM 206 CB MET A 70 -1.015 -3.539 -2.525 1.00 0.00 C ATOM 207 CG MET A 70 -1.499 -2.106 -2.762 1.00 0.00 C ATOM 208 SD MET A 70 -1.881 -1.329 -1.172 1.00 0.00 S ATOM 209 CE MET A 70 -3.560 -1.980 -0.984 1.00 0.00 C ATOM 0 H MET A 70 -2.323 -4.594 -4.337 1.00 0.00 H new ATOM 0 HA MET A 70 0.227 -3.304 -4.274 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.854 -4.172 -2.236 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.302 -3.559 -1.701 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.733 -1.533 -3.284 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.383 -2.110 -3.399 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.816 -2.027 0.075 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.264 -1.326 -1.499 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.613 -2.980 -1.414 1.00 0.00 H new ATOM 219 N SER A 71 -0.014 -6.299 -2.865 1.00 0.00 N ATOM 220 CA SER A 71 0.762 -7.466 -2.462 1.00 0.00 C ATOM 221 C SER A 71 1.711 -7.911 -3.572 1.00 0.00 C ATOM 222 O SER A 71 2.909 -8.079 -3.341 1.00 0.00 O ATOM 223 CB SER A 71 -0.178 -8.613 -2.098 1.00 0.00 C ATOM 224 OG SER A 71 0.538 -9.841 -2.144 1.00 0.00 O ATOM 0 H SER A 71 -1.014 -6.368 -2.675 1.00 0.00 H new ATOM 0 HA SER A 71 1.360 -7.191 -1.593 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.591 -8.457 -1.102 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.019 -8.643 -2.791 1.00 0.00 H new ATOM 0 HG SER A 71 -0.063 -10.579 -1.909 1.00 0.00 H new ATOM 230 N GLU A 72 1.175 -8.108 -4.775 1.00 0.00 N ATOM 231 CA GLU A 72 2.003 -8.540 -5.894 1.00 0.00 C ATOM 232 C GLU A 72 3.058 -7.487 -6.223 1.00 0.00 C ATOM 233 O GLU A 72 4.213 -7.821 -6.486 1.00 0.00 O ATOM 234 CB GLU A 72 1.136 -8.820 -7.124 1.00 0.00 C ATOM 235 CG GLU A 72 0.581 -7.509 -7.677 1.00 0.00 C ATOM 236 CD GLU A 72 -0.460 -7.798 -8.755 1.00 0.00 C ATOM 237 OE1 GLU A 72 -1.552 -8.207 -8.401 1.00 0.00 O ATOM 238 OE2 GLU A 72 -0.146 -7.604 -9.918 1.00 0.00 O ATOM 0 H GLU A 72 0.188 -7.978 -4.996 1.00 0.00 H new ATOM 0 HA GLU A 72 2.511 -9.460 -5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.726 -9.327 -7.888 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.317 -9.489 -6.858 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.132 -6.926 -6.873 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.390 -6.908 -8.092 1.00 0.00 H new ATOM 245 N PHE A 73 2.664 -6.213 -6.200 1.00 0.00 N ATOM 246 CA PHE A 73 3.611 -5.141 -6.493 1.00 0.00 C ATOM 247 C PHE A 73 4.888 -5.342 -5.680 1.00 0.00 C ATOM 248 O PHE A 73 5.992 -5.321 -6.226 1.00 0.00 O ATOM 249 CB PHE A 73 2.988 -3.773 -6.167 1.00 0.00 C ATOM 250 CG PHE A 73 2.683 -3.029 -7.449 1.00 0.00 C ATOM 251 CD1 PHE A 73 1.890 -3.630 -8.435 1.00 0.00 C ATOM 252 CD2 PHE A 73 3.195 -1.740 -7.652 1.00 0.00 C ATOM 253 CE1 PHE A 73 1.607 -2.943 -9.621 1.00 0.00 C ATOM 254 CE2 PHE A 73 2.911 -1.055 -8.841 1.00 0.00 C ATOM 255 CZ PHE A 73 2.117 -1.655 -9.825 1.00 0.00 C ATOM 0 H PHE A 73 1.716 -5.904 -5.986 1.00 0.00 H new ATOM 0 HA PHE A 73 3.855 -5.167 -7.555 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.074 -3.908 -5.588 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.672 -3.189 -5.551 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.497 -4.624 -8.280 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.807 -1.276 -6.893 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.994 -3.407 -10.380 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.306 -0.062 -8.998 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.898 -1.125 -10.740 1.00 0.00 H new ATOM 265 N LEU A 74 4.729 -5.545 -4.375 1.00 0.00 N ATOM 266 CA LEU A 74 5.881 -5.759 -3.505 1.00 0.00 C ATOM 267 C LEU A 74 6.629 -7.019 -3.926 1.00 0.00 C ATOM 268 O LEU A 74 7.851 -7.008 -4.070 1.00 0.00 O ATOM 269 CB LEU A 74 5.430 -5.898 -2.048 1.00 0.00 C ATOM 270 CG LEU A 74 4.485 -4.751 -1.681 1.00 0.00 C ATOM 271 CD1 LEU A 74 4.193 -4.793 -0.181 1.00 0.00 C ATOM 272 CD2 LEU A 74 5.136 -3.411 -2.037 1.00 0.00 C ATOM 0 H LEU A 74 3.826 -5.566 -3.902 1.00 0.00 H new ATOM 0 HA LEU A 74 6.544 -4.898 -3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.927 -6.854 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.297 -5.891 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 74 3.554 -4.858 -2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.520 -3.977 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.725 -5.744 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.125 -4.688 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.460 -2.597 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.069 -3.301 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.343 -3.380 -3.107 1.00 0.00 H new ATOM 284 N SER A 75 5.885 -8.103 -4.125 1.00 0.00 N ATOM 285 CA SER A 75 6.491 -9.365 -4.533 1.00 0.00 C ATOM 286 C SER A 75 7.345 -9.166 -5.781 1.00 0.00 C ATOM 287 O SER A 75 8.380 -9.811 -5.947 1.00 0.00 O ATOM 288 CB SER A 75 5.400 -10.399 -4.818 1.00 0.00 C ATOM 289 OG SER A 75 6.006 -11.640 -5.152 1.00 0.00 O ATOM 0 H SER A 75 4.872 -8.133 -4.012 1.00 0.00 H new ATOM 0 HA SER A 75 7.127 -9.723 -3.723 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.758 -10.518 -3.945 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.765 -10.059 -5.636 1.00 0.00 H new ATOM 0 HG SER A 75 5.310 -12.305 -5.334 1.00 0.00 H new ATOM 295 N ARG A 76 6.904 -8.266 -6.655 1.00 0.00 N ATOM 296 CA ARG A 76 7.638 -7.986 -7.884 1.00 0.00 C ATOM 297 C ARG A 76 8.843 -7.099 -7.595 1.00 0.00 C ATOM 298 O ARG A 76 9.864 -7.181 -8.277 1.00 0.00 O ATOM 299 CB ARG A 76 6.721 -7.292 -8.894 1.00 0.00 C ATOM 300 CG ARG A 76 5.634 -8.267 -9.369 1.00 0.00 C ATOM 301 CD ARG A 76 6.154 -9.090 -10.553 1.00 0.00 C ATOM 302 NE ARG A 76 5.096 -9.949 -11.070 1.00 0.00 N ATOM 303 CZ ARG A 76 4.114 -9.457 -11.819 1.00 0.00 C ATOM 304 NH1 ARG A 76 4.085 -8.183 -12.101 1.00 0.00 N ATOM 305 NH2 ARG A 76 3.179 -10.247 -12.272 1.00 0.00 N ATOM 0 H ARG A 76 6.049 -7.722 -6.537 1.00 0.00 H new ATOM 0 HA ARG A 76 7.987 -8.931 -8.301 1.00 0.00 H new ATOM 0 HB2 ARG A 76 6.261 -6.415 -8.438 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.304 -6.940 -9.745 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.345 -8.930 -8.553 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.741 -7.715 -9.662 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.510 -8.425 -11.340 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.004 -9.696 -10.239 1.00 0.00 H new ATOM 0 HE ARG A 76 5.109 -10.946 -10.853 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.816 -7.566 -11.747 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.332 -7.805 -12.676 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.201 -11.243 -12.051 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.426 -9.869 -12.847 1.00 0.00 H new ATOM 526 N TYR A 92 10.118 8.662 5.157 1.00 0.00 N ATOM 527 CA TYR A 92 9.130 9.291 4.285 1.00 0.00 C ATOM 528 C TYR A 92 7.718 8.951 4.752 1.00 0.00 C ATOM 529 O TYR A 92 7.287 7.800 4.670 1.00 0.00 O ATOM 530 CB TYR A 92 9.325 8.802 2.844 1.00 0.00 C ATOM 531 CG TYR A 92 10.286 9.714 2.119 1.00 0.00 C ATOM 532 CD1 TYR A 92 9.825 10.907 1.550 1.00 0.00 C ATOM 533 CD2 TYR A 92 11.637 9.364 2.014 1.00 0.00 C ATOM 534 CE1 TYR A 92 10.715 11.751 0.875 1.00 0.00 C ATOM 535 CE2 TYR A 92 12.528 10.208 1.339 1.00 0.00 C ATOM 536 CZ TYR A 92 12.068 11.402 0.770 1.00 0.00 C ATOM 537 OH TYR A 92 12.946 12.233 0.106 1.00 0.00 O ATOM 0 HA TYR A 92 9.265 10.372 4.325 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.709 7.782 2.845 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.367 8.782 2.325 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.782 11.176 1.632 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.992 8.444 2.453 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.359 12.671 0.435 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.570 9.938 1.257 1.00 0.00 H new ATOM 0 HH TYR A 92 13.632 11.694 -0.341 1.00 0.00 H new ATOM 547 N ASP A 93 7.001 9.957 5.241 1.00 0.00 N ATOM 548 CA ASP A 93 5.636 9.754 5.715 1.00 0.00 C ATOM 549 C ASP A 93 4.634 10.088 4.616 1.00 0.00 C ATOM 550 O ASP A 93 4.260 11.248 4.437 1.00 0.00 O ATOM 551 CB ASP A 93 5.370 10.636 6.937 1.00 0.00 C ATOM 552 CG ASP A 93 6.556 10.571 7.894 1.00 0.00 C ATOM 553 OD1 ASP A 93 6.653 9.595 8.619 1.00 0.00 O ATOM 554 OD2 ASP A 93 7.349 11.497 7.888 1.00 0.00 O ATOM 0 H ASP A 93 7.339 10.916 5.320 1.00 0.00 H new ATOM 0 HA ASP A 93 5.519 8.706 5.992 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.201 11.666 6.623 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.464 10.305 7.444 1.00 0.00 H new ATOM 559 N LEU A 94 4.199 9.068 3.884 1.00 0.00 N ATOM 560 CA LEU A 94 3.236 9.267 2.805 1.00 0.00 C ATOM 561 C LEU A 94 1.820 8.972 3.293 1.00 0.00 C ATOM 562 O LEU A 94 0.961 8.554 2.517 1.00 0.00 O ATOM 563 CB LEU A 94 3.567 8.351 1.625 1.00 0.00 C ATOM 564 CG LEU A 94 5.069 8.408 1.327 1.00 0.00 C ATOM 565 CD1 LEU A 94 5.387 7.514 0.124 1.00 0.00 C ATOM 566 CD2 LEU A 94 5.471 9.852 1.010 1.00 0.00 C ATOM 0 H LEU A 94 4.495 8.101 4.016 1.00 0.00 H new ATOM 0 HA LEU A 94 3.294 10.307 2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.271 7.327 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.001 8.657 0.745 1.00 0.00 H new ATOM 0 HG LEU A 94 5.625 8.057 2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.456 7.555 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.101 6.487 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.831 7.864 -0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.539 9.894 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.914 10.202 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.246 10.489 1.866 1.00 0.00 H new ATOM 578 N SER A 95 1.587 9.189 4.583 1.00 0.00 N ATOM 579 CA SER A 95 0.272 8.939 5.164 1.00 0.00 C ATOM 580 C SER A 95 -0.764 9.898 4.584 1.00 0.00 C ATOM 581 O SER A 95 -1.966 9.635 4.639 1.00 0.00 O ATOM 582 CB SER A 95 0.333 9.109 6.682 1.00 0.00 C ATOM 583 OG SER A 95 -0.989 9.220 7.194 1.00 0.00 O ATOM 0 H SER A 95 2.285 9.535 5.242 1.00 0.00 H new ATOM 0 HA SER A 95 -0.022 7.917 4.923 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.841 8.258 7.135 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.910 9.997 6.937 1.00 0.00 H new ATOM 0 HG SER A 95 -0.955 9.328 8.167 1.00 0.00 H new ATOM 589 N LYS A 96 -0.293 11.010 4.028 1.00 0.00 N ATOM 590 CA LYS A 96 -1.189 12.002 3.443 1.00 0.00 C ATOM 591 C LYS A 96 -1.490 11.662 1.986 1.00 0.00 C ATOM 592 O LYS A 96 -2.282 12.342 1.332 1.00 0.00 O ATOM 593 CB LYS A 96 -0.554 13.391 3.523 1.00 0.00 C ATOM 594 CG LYS A 96 0.077 13.586 4.903 1.00 0.00 C ATOM 595 CD LYS A 96 0.650 15.001 5.006 1.00 0.00 C ATOM 596 CE LYS A 96 1.574 15.090 6.222 1.00 0.00 C ATOM 597 NZ LYS A 96 2.214 16.434 6.262 1.00 0.00 N ATOM 0 H LYS A 96 0.698 11.246 3.970 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.123 11.996 4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.203 13.502 2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.308 14.158 3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.669 13.427 5.682 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.866 12.850 5.061 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.201 15.249 4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.158 15.727 5.096 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.007 14.918 7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.337 14.313 6.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.842 16.495 7.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.768 16.581 5.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.479 17.167 6.331 1.00 0.00 H new ATOM 611 N TRP A 97 -0.852 10.610 1.482 1.00 0.00 N ATOM 612 CA TRP A 97 -1.058 10.192 0.098 1.00 0.00 C ATOM 613 C TRP A 97 -2.222 9.213 0.001 1.00 0.00 C ATOM 614 O TRP A 97 -2.728 8.734 1.015 1.00 0.00 O ATOM 615 CB TRP A 97 0.210 9.528 -0.441 1.00 0.00 C ATOM 616 CG TRP A 97 1.311 10.535 -0.521 1.00 0.00 C ATOM 617 CD1 TRP A 97 1.779 11.261 0.520 1.00 0.00 C ATOM 618 CD2 TRP A 97 2.090 10.940 -1.684 1.00 0.00 C ATOM 619 NE1 TRP A 97 2.797 12.083 0.072 1.00 0.00 N ATOM 620 CE2 TRP A 97 3.025 11.921 -1.280 1.00 0.00 C ATOM 621 CE3 TRP A 97 2.075 10.553 -3.036 1.00 0.00 C ATOM 622 CZ2 TRP A 97 3.915 12.499 -2.186 1.00 0.00 C ATOM 623 CZ3 TRP A 97 2.971 11.133 -3.950 1.00 0.00 C ATOM 624 CH2 TRP A 97 3.889 12.104 -3.525 1.00 0.00 C ATOM 0 H TRP A 97 -0.193 10.035 2.006 1.00 0.00 H new ATOM 0 HA TRP A 97 -1.289 11.076 -0.497 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.505 8.704 0.208 1.00 0.00 H new ATOM 0 HB3 TRP A 97 0.019 9.104 -1.427 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.417 11.207 1.536 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.315 12.729 0.667 1.00 0.00 H new ATOM 0 HE3 TRP A 97 1.371 9.806 -3.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 4.619 13.247 -1.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 2.952 10.829 -4.986 1.00 0.00 H new ATOM 0 HH2 TRP A 97 4.575 12.546 -4.232 1.00 0.00 H new ATOM 635 N LYS A 98 -2.637 8.918 -1.228 1.00 0.00 N ATOM 636 CA LYS A 98 -3.740 7.990 -1.457 1.00 0.00 C ATOM 637 C LYS A 98 -3.257 6.776 -2.245 1.00 0.00 C ATOM 638 O LYS A 98 -2.331 6.873 -3.049 1.00 0.00 O ATOM 639 CB LYS A 98 -4.862 8.688 -2.229 1.00 0.00 C ATOM 640 CG LYS A 98 -5.164 10.043 -1.585 1.00 0.00 C ATOM 641 CD LYS A 98 -5.678 9.835 -0.158 1.00 0.00 C ATOM 642 CE LYS A 98 -6.394 11.099 0.321 1.00 0.00 C ATOM 643 NZ LYS A 98 -6.885 10.894 1.712 1.00 0.00 N ATOM 0 H LYS A 98 -2.228 9.307 -2.078 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.119 7.659 -0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.569 8.826 -3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.758 8.067 -2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.264 10.658 -1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.908 10.579 -2.175 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.360 8.985 -0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.847 9.602 0.508 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.714 11.950 0.286 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.229 11.330 -0.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.372 11.753 2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.547 10.092 1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.079 10.694 2.338 1.00 0.00 H new ATOM 657 N TYR A 99 -3.891 5.634 -2.005 1.00 0.00 N ATOM 658 CA TYR A 99 -3.524 4.399 -2.693 1.00 0.00 C ATOM 659 C TYR A 99 -3.198 4.671 -4.160 1.00 0.00 C ATOM 660 O TYR A 99 -2.177 4.211 -4.674 1.00 0.00 O ATOM 661 CB TYR A 99 -4.678 3.394 -2.590 1.00 0.00 C ATOM 662 CG TYR A 99 -4.487 2.279 -3.594 1.00 0.00 C ATOM 663 CD1 TYR A 99 -3.307 1.525 -3.589 1.00 0.00 C ATOM 664 CD2 TYR A 99 -5.494 1.996 -4.526 1.00 0.00 C ATOM 665 CE1 TYR A 99 -3.132 0.491 -4.517 1.00 0.00 C ATOM 666 CE2 TYR A 99 -5.319 0.961 -5.453 1.00 0.00 C ATOM 667 CZ TYR A 99 -4.139 0.210 -5.448 1.00 0.00 C ATOM 668 OH TYR A 99 -3.967 -0.810 -6.363 1.00 0.00 O ATOM 0 H TYR A 99 -4.660 5.536 -1.342 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.635 3.985 -2.218 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.723 2.982 -1.582 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -5.627 3.898 -2.771 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.531 1.741 -2.869 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.405 2.576 -4.530 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.221 -0.089 -4.514 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -6.095 0.743 -6.172 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.760 -0.873 -6.935 1.00 0.00 H new ATOM 678 N ALA A 100 -4.074 5.414 -4.829 1.00 0.00 N ATOM 679 CA ALA A 100 -3.875 5.735 -6.238 1.00 0.00 C ATOM 680 C ALA A 100 -2.625 6.587 -6.434 1.00 0.00 C ATOM 681 O ALA A 100 -1.864 6.382 -7.380 1.00 0.00 O ATOM 682 CB ALA A 100 -5.094 6.486 -6.776 1.00 0.00 C ATOM 0 H ALA A 100 -4.924 5.803 -4.421 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.747 4.801 -6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.940 6.723 -7.829 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.981 5.862 -6.671 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.231 7.409 -6.212 1.00 0.00 H new ATOM 688 N GLU A 101 -2.420 7.543 -5.537 1.00 0.00 N ATOM 689 CA GLU A 101 -1.263 8.425 -5.624 1.00 0.00 C ATOM 690 C GLU A 101 0.029 7.637 -5.431 1.00 0.00 C ATOM 691 O GLU A 101 1.019 7.870 -6.121 1.00 0.00 O ATOM 692 CB GLU A 101 -1.360 9.521 -4.561 1.00 0.00 C ATOM 693 CG GLU A 101 -2.662 10.309 -4.750 1.00 0.00 C ATOM 694 CD GLU A 101 -2.449 11.444 -5.748 1.00 0.00 C ATOM 695 OE1 GLU A 101 -1.515 11.352 -6.528 1.00 0.00 O ATOM 696 OE2 GLU A 101 -3.223 12.387 -5.718 1.00 0.00 O ATOM 0 H GLU A 101 -3.036 7.727 -4.745 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.251 8.881 -6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.332 9.079 -3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.504 10.191 -4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.450 9.645 -5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.994 10.713 -3.793 1.00 0.00 H new ATOM 703 N LEU A 102 0.011 6.706 -4.484 1.00 0.00 N ATOM 704 CA LEU A 102 1.187 5.890 -4.206 1.00 0.00 C ATOM 705 C LEU A 102 1.587 5.078 -5.437 1.00 0.00 C ATOM 706 O LEU A 102 2.702 5.218 -5.947 1.00 0.00 O ATOM 707 CB LEU A 102 0.903 4.945 -3.035 1.00 0.00 C ATOM 708 CG LEU A 102 0.562 5.756 -1.781 1.00 0.00 C ATOM 709 CD1 LEU A 102 0.174 4.801 -0.650 1.00 0.00 C ATOM 710 CD2 LEU A 102 1.776 6.590 -1.353 1.00 0.00 C ATOM 0 H LEU A 102 -0.799 6.498 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 102 2.011 6.554 -3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.076 4.281 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.772 4.315 -2.846 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.271 6.424 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.069 5.375 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.693 4.214 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 102 1.008 4.133 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.527 7.164 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.614 5.928 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.051 7.272 -2.158 1.00 0.00 H new ATOM 722 N ARG A 103 0.675 4.231 -5.911 1.00 0.00 N ATOM 723 CA ARG A 103 0.965 3.410 -7.082 1.00 0.00 C ATOM 724 C ARG A 103 1.366 4.294 -8.259 1.00 0.00 C ATOM 725 O ARG A 103 2.202 3.915 -9.081 1.00 0.00 O ATOM 726 CB ARG A 103 -0.249 2.554 -7.458 1.00 0.00 C ATOM 727 CG ARG A 103 -1.438 3.442 -7.819 1.00 0.00 C ATOM 728 CD ARG A 103 -2.578 2.568 -8.354 1.00 0.00 C ATOM 729 NE ARG A 103 -2.551 1.253 -7.717 1.00 0.00 N ATOM 730 CZ ARG A 103 -1.951 0.211 -8.293 1.00 0.00 C ATOM 731 NH1 ARG A 103 -1.374 0.345 -9.455 1.00 0.00 N ATOM 732 NH2 ARG A 103 -1.943 -0.948 -7.693 1.00 0.00 N ATOM 0 H ARG A 103 -0.254 4.097 -5.511 1.00 0.00 H new ATOM 0 HA ARG A 103 1.794 2.746 -6.838 1.00 0.00 H new ATOM 0 HB2 ARG A 103 0.000 1.909 -8.301 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -0.514 1.902 -6.625 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.771 3.998 -6.943 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.144 4.176 -8.569 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -3.536 3.052 -8.164 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.485 2.458 -9.434 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.002 1.129 -6.810 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -1.381 1.249 -9.926 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -0.916 -0.455 -9.892 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -2.395 -1.055 -6.785 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -1.485 -1.746 -8.132 1.00 0.00 H new ATOM 746 N ASP A 104 0.767 5.477 -8.330 1.00 0.00 N ATOM 747 CA ASP A 104 1.070 6.411 -9.405 1.00 0.00 C ATOM 748 C ASP A 104 2.508 6.899 -9.294 1.00 0.00 C ATOM 749 O ASP A 104 3.270 6.848 -10.260 1.00 0.00 O ATOM 750 CB ASP A 104 0.118 7.604 -9.338 1.00 0.00 C ATOM 751 CG ASP A 104 0.509 8.644 -10.383 1.00 0.00 C ATOM 752 OD1 ASP A 104 0.864 8.249 -11.481 1.00 0.00 O ATOM 753 OD2 ASP A 104 0.447 9.821 -10.070 1.00 0.00 O ATOM 0 H ASP A 104 0.073 5.810 -7.660 1.00 0.00 H new ATOM 0 HA ASP A 104 0.944 5.898 -10.359 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.906 7.272 -9.509 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.148 8.048 -8.343 1.00 0.00 H new ATOM 758 N THR A 105 2.871 7.374 -8.108 1.00 0.00 N ATOM 759 CA THR A 105 4.220 7.875 -7.876 1.00 0.00 C ATOM 760 C THR A 105 5.260 6.860 -8.340 1.00 0.00 C ATOM 761 O THR A 105 6.111 7.169 -9.173 1.00 0.00 O ATOM 762 CB THR A 105 4.418 8.174 -6.387 1.00 0.00 C ATOM 763 OG1 THR A 105 3.208 8.684 -5.845 1.00 0.00 O ATOM 764 CG2 THR A 105 5.534 9.209 -6.215 1.00 0.00 C ATOM 0 H THR A 105 2.254 7.423 -7.297 1.00 0.00 H new ATOM 0 HA THR A 105 4.349 8.793 -8.450 1.00 0.00 H new ATOM 0 HB THR A 105 4.694 7.258 -5.865 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.603 7.941 -5.639 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.674 9.421 -5.155 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.462 8.817 -6.632 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.262 10.127 -6.736 1.00 0.00 H new ATOM 772 N ILE A 106 5.192 5.648 -7.793 1.00 0.00 N ATOM 773 CA ILE A 106 6.148 4.610 -8.165 1.00 0.00 C ATOM 774 C ILE A 106 6.029 4.266 -9.645 1.00 0.00 C ATOM 775 O ILE A 106 7.005 3.853 -10.273 1.00 0.00 O ATOM 776 CB ILE A 106 5.921 3.356 -7.325 1.00 0.00 C ATOM 777 CG1 ILE A 106 4.531 2.791 -7.608 1.00 0.00 C ATOM 778 CG2 ILE A 106 6.029 3.717 -5.844 1.00 0.00 C ATOM 779 CD1 ILE A 106 4.245 1.646 -6.635 1.00 0.00 C ATOM 0 H ILE A 106 4.497 5.364 -7.102 1.00 0.00 H new ATOM 0 HA ILE A 106 7.151 4.992 -7.976 1.00 0.00 H new ATOM 0 HB ILE A 106 6.672 2.608 -7.579 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.779 3.572 -7.500 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.473 2.433 -8.636 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.868 2.825 -5.239 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.021 4.120 -5.639 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.276 4.465 -5.596 1.00 0.00 H new ATOM 0 HD11 ILE A 106 3.253 1.239 -6.833 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.991 0.862 -6.766 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.286 2.019 -5.612 1.00 0.00 H new ATOM 791 N ASN A 107 4.834 4.433 -10.200 1.00 0.00 N ATOM 792 CA ASN A 107 4.618 4.130 -11.609 1.00 0.00 C ATOM 793 C ASN A 107 5.344 5.138 -12.498 1.00 0.00 C ATOM 794 O ASN A 107 5.743 4.812 -13.617 1.00 0.00 O ATOM 795 CB ASN A 107 3.119 4.156 -11.914 1.00 0.00 C ATOM 796 CG ASN A 107 2.539 2.745 -11.853 1.00 0.00 C ATOM 797 OD1 ASN A 107 2.922 1.881 -12.642 1.00 0.00 O ATOM 798 ND2 ASN A 107 1.634 2.460 -10.958 1.00 0.00 N ATOM 0 H ASN A 107 4.010 4.772 -9.703 1.00 0.00 H new ATOM 0 HA ASN A 107 5.018 3.138 -11.817 1.00 0.00 H new ATOM 0 HB2 ASN A 107 2.607 4.798 -11.197 1.00 0.00 H new ATOM 0 HB3 ASN A 107 2.950 4.583 -12.902 1.00 0.00 H new ATOM 0 HD21 ASN A 107 1.242 1.520 -10.911 1.00 0.00 H new ATOM 0 HD22 ASN A 107 1.318 3.178 -10.305 1.00 0.00 H new ATOM 805 N THR A 108 5.506 6.364 -12.002 1.00 0.00 N ATOM 806 CA THR A 108 6.183 7.407 -12.773 1.00 0.00 C ATOM 807 C THR A 108 7.218 8.135 -11.919 1.00 0.00 C ATOM 808 O THR A 108 7.305 9.362 -11.946 1.00 0.00 O ATOM 809 CB THR A 108 5.158 8.414 -13.301 1.00 0.00 C ATOM 810 OG1 THR A 108 5.836 9.564 -13.788 1.00 0.00 O ATOM 811 CG2 THR A 108 4.199 8.823 -12.179 1.00 0.00 C ATOM 0 H THR A 108 5.182 6.658 -11.081 1.00 0.00 H new ATOM 0 HA THR A 108 6.695 6.931 -13.609 1.00 0.00 H new ATOM 0 HB THR A 108 4.587 7.955 -14.108 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.253 10.039 -13.039 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.473 9.540 -12.564 1.00 0.00 H new ATOM 0 HG22 THR A 108 3.677 7.941 -11.808 1.00 0.00 H new ATOM 0 HG23 THR A 108 4.764 9.279 -11.366 1.00 0.00 H new ATOM 819 N SER A 109 8.006 7.369 -11.169 1.00 0.00 N ATOM 820 CA SER A 109 9.045 7.950 -10.315 1.00 0.00 C ATOM 821 C SER A 109 10.410 7.372 -10.670 1.00 0.00 C ATOM 822 O SER A 109 10.526 6.522 -11.552 1.00 0.00 O ATOM 823 CB SER A 109 8.738 7.664 -8.846 1.00 0.00 C ATOM 824 OG SER A 109 9.926 7.827 -8.081 1.00 0.00 O ATOM 0 H SER A 109 7.948 6.351 -11.133 1.00 0.00 H new ATOM 0 HA SER A 109 9.061 9.028 -10.478 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.963 8.340 -8.485 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.354 6.650 -8.733 1.00 0.00 H new ATOM 0 HG SER A 109 9.706 7.804 -7.126 1.00 0.00 H new ATOM 830 N CYS A 110 11.441 7.842 -9.976 1.00 0.00 N ATOM 831 CA CYS A 110 12.797 7.369 -10.221 1.00 0.00 C ATOM 832 C CYS A 110 13.661 7.560 -8.980 1.00 0.00 C ATOM 833 O CYS A 110 14.885 7.647 -9.070 1.00 0.00 O ATOM 834 CB CYS A 110 13.413 8.130 -11.397 1.00 0.00 C ATOM 835 SG CYS A 110 14.882 7.251 -11.983 1.00 0.00 S ATOM 0 H CYS A 110 11.364 8.547 -9.243 1.00 0.00 H new ATOM 0 HA CYS A 110 12.754 6.307 -10.461 1.00 0.00 H new ATOM 0 HB2 CYS A 110 12.686 8.223 -12.204 1.00 0.00 H new ATOM 0 HB3 CYS A 110 13.680 9.141 -11.090 1.00 0.00 H new ATOM 0 HG CYS A 110 15.652 6.972 -10.974 1.00 0.00 H new ATOM 841 N ASP A 111 13.012 7.626 -7.820 1.00 0.00 N ATOM 842 CA ASP A 111 13.728 7.807 -6.560 1.00 0.00 C ATOM 843 C ASP A 111 13.728 6.505 -5.762 1.00 0.00 C ATOM 844 O ASP A 111 12.713 5.819 -5.676 1.00 0.00 O ATOM 845 CB ASP A 111 13.066 8.924 -5.742 1.00 0.00 C ATOM 846 CG ASP A 111 13.734 10.264 -6.043 1.00 0.00 C ATOM 847 OD1 ASP A 111 14.741 10.555 -5.419 1.00 0.00 O ATOM 848 OD2 ASP A 111 13.227 10.980 -6.891 1.00 0.00 O ATOM 0 H ASP A 111 11.999 7.557 -7.726 1.00 0.00 H new ATOM 0 HA ASP A 111 14.760 8.085 -6.776 1.00 0.00 H new ATOM 0 HB2 ASP A 111 12.003 8.978 -5.979 1.00 0.00 H new ATOM 0 HB3 ASP A 111 13.144 8.701 -4.678 1.00 0.00 H new ATOM 853 N ILE A 112 14.876 6.169 -5.187 1.00 0.00 N ATOM 854 CA ILE A 112 14.996 4.942 -4.409 1.00 0.00 C ATOM 855 C ILE A 112 14.242 5.063 -3.088 1.00 0.00 C ATOM 856 O ILE A 112 13.276 4.338 -2.845 1.00 0.00 O ATOM 857 CB ILE A 112 16.473 4.646 -4.133 1.00 0.00 C ATOM 858 CG1 ILE A 112 17.251 4.613 -5.461 1.00 0.00 C ATOM 859 CG2 ILE A 112 16.601 3.296 -3.418 1.00 0.00 C ATOM 860 CD1 ILE A 112 17.153 3.225 -6.102 1.00 0.00 C ATOM 0 H ILE A 112 15.730 6.723 -5.243 1.00 0.00 H new ATOM 0 HA ILE A 112 14.560 4.125 -4.984 1.00 0.00 H new ATOM 0 HB ILE A 112 16.887 5.428 -3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 112 16.852 5.364 -6.142 1.00 0.00 H new ATOM 0 HG13 ILE A 112 18.296 4.866 -5.284 1.00 0.00 H new ATOM 0 HG21 ILE A 112 17.653 3.086 -3.222 1.00 0.00 H new ATOM 0 HG22 ILE A 112 16.056 3.331 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 112 16.186 2.510 -4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 112 17.708 3.217 -7.040 1.00 0.00 H new ATOM 0 HD12 ILE A 112 17.574 2.481 -5.425 1.00 0.00 H new ATOM 0 HD13 ILE A 112 16.107 2.987 -6.297 1.00 0.00 H new ATOM 872 N GLU A 113 14.688 5.980 -2.235 1.00 0.00 N ATOM 873 CA GLU A 113 14.045 6.182 -0.943 1.00 0.00 C ATOM 874 C GLU A 113 12.532 6.298 -1.109 1.00 0.00 C ATOM 875 O GLU A 113 11.767 5.649 -0.394 1.00 0.00 O ATOM 876 CB GLU A 113 14.591 7.447 -0.272 1.00 0.00 C ATOM 877 CG GLU A 113 14.706 8.574 -1.302 1.00 0.00 C ATOM 878 CD GLU A 113 15.324 9.808 -0.655 1.00 0.00 C ATOM 879 OE1 GLU A 113 16.060 9.645 0.304 1.00 0.00 O ATOM 880 OE2 GLU A 113 15.055 10.900 -1.130 1.00 0.00 O ATOM 0 H GLU A 113 15.486 6.590 -2.414 1.00 0.00 H new ATOM 0 HA GLU A 113 14.264 5.320 -0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.932 7.751 0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.567 7.243 0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.318 8.249 -2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 113 13.721 8.816 -1.700 1.00 0.00 H new ATOM 887 N LEU A 114 12.108 7.126 -2.058 1.00 0.00 N ATOM 888 CA LEU A 114 10.684 7.317 -2.314 1.00 0.00 C ATOM 889 C LEU A 114 10.024 5.978 -2.627 1.00 0.00 C ATOM 890 O LEU A 114 9.119 5.537 -1.916 1.00 0.00 O ATOM 891 CB LEU A 114 10.506 8.289 -3.493 1.00 0.00 C ATOM 892 CG LEU A 114 9.023 8.648 -3.712 1.00 0.00 C ATOM 893 CD1 LEU A 114 8.256 7.441 -4.267 1.00 0.00 C ATOM 894 CD2 LEU A 114 8.385 9.102 -2.392 1.00 0.00 C ATOM 0 H LEU A 114 12.725 7.672 -2.659 1.00 0.00 H new ATOM 0 HA LEU A 114 10.208 7.737 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 114 11.077 9.198 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 114 10.910 7.840 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 114 8.971 9.464 -4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 114 7.211 7.711 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 114 8.692 7.139 -5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 114 8.320 6.613 -3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 114 7.338 9.352 -2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 114 8.452 8.297 -1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.912 9.979 -2.016 1.00 0.00 H new ATOM 906 N LEU A 115 10.486 5.333 -3.695 1.00 0.00 N ATOM 907 CA LEU A 115 9.940 4.040 -4.095 1.00 0.00 C ATOM 908 C LEU A 115 9.756 3.146 -2.870 1.00 0.00 C ATOM 909 O LEU A 115 8.703 2.536 -2.686 1.00 0.00 O ATOM 910 CB LEU A 115 10.893 3.358 -5.094 1.00 0.00 C ATOM 911 CG LEU A 115 10.458 3.614 -6.548 1.00 0.00 C ATOM 912 CD1 LEU A 115 9.319 2.662 -6.924 1.00 0.00 C ATOM 913 CD2 LEU A 115 9.995 5.068 -6.727 1.00 0.00 C ATOM 0 H LEU A 115 11.233 5.682 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 115 8.971 4.198 -4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.907 3.730 -4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.916 2.285 -4.903 1.00 0.00 H new ATOM 0 HG LEU A 115 11.313 3.437 -7.201 1.00 0.00 H new ATOM 0 HD11 LEU A 115 9.015 2.847 -7.954 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.659 1.631 -6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.471 2.829 -6.260 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.692 5.229 -7.762 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.150 5.265 -6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.814 5.744 -6.480 1.00 0.00 H new ATOM 925 N ALA A 116 10.790 3.075 -2.039 1.00 0.00 N ATOM 926 CA ALA A 116 10.734 2.253 -0.835 1.00 0.00 C ATOM 927 C ALA A 116 9.596 2.709 0.070 1.00 0.00 C ATOM 928 O ALA A 116 8.816 1.893 0.563 1.00 0.00 O ATOM 929 CB ALA A 116 12.060 2.352 -0.078 1.00 0.00 C ATOM 0 H ALA A 116 11.670 3.572 -2.175 1.00 0.00 H new ATOM 0 HA ALA A 116 10.557 1.218 -1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.013 1.736 0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.871 2.001 -0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.242 3.389 0.202 1.00 0.00 H new ATOM 935 N ALA A 117 9.508 4.015 0.286 1.00 0.00 N ATOM 936 CA ALA A 117 8.463 4.574 1.133 1.00 0.00 C ATOM 937 C ALA A 117 7.100 4.018 0.737 1.00 0.00 C ATOM 938 O ALA A 117 6.395 3.429 1.557 1.00 0.00 O ATOM 939 CB ALA A 117 8.455 6.097 1.006 1.00 0.00 C ATOM 0 H ALA A 117 10.145 4.705 -0.112 1.00 0.00 H new ATOM 0 HA ALA A 117 8.667 4.296 2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 117 7.672 6.511 1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.422 6.493 1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.266 6.375 -0.031 1.00 0.00 H new ATOM 945 N CYS A 118 6.733 4.210 -0.526 1.00 0.00 N ATOM 946 CA CYS A 118 5.449 3.724 -1.021 1.00 0.00 C ATOM 947 C CYS A 118 5.289 2.232 -0.740 1.00 0.00 C ATOM 948 O CYS A 118 4.327 1.808 -0.100 1.00 0.00 O ATOM 949 CB CYS A 118 5.344 3.970 -2.527 1.00 0.00 C ATOM 950 SG CYS A 118 5.508 5.741 -2.861 1.00 0.00 S ATOM 0 H CYS A 118 7.301 4.695 -1.221 1.00 0.00 H new ATOM 0 HA CYS A 118 4.657 4.266 -0.504 1.00 0.00 H new ATOM 0 HB2 CYS A 118 6.122 3.416 -3.052 1.00 0.00 H new ATOM 0 HB3 CYS A 118 4.387 3.606 -2.900 1.00 0.00 H new ATOM 0 HG CYS A 118 6.558 6.202 -2.250 1.00 0.00 H new ATOM 956 N ARG A 119 6.237 1.440 -1.228 1.00 0.00 N ATOM 957 CA ARG A 119 6.190 -0.003 -1.027 1.00 0.00 C ATOM 958 C ARG A 119 5.920 -0.333 0.440 1.00 0.00 C ATOM 959 O ARG A 119 5.104 -1.203 0.748 1.00 0.00 O ATOM 960 CB ARG A 119 7.517 -0.632 -1.467 1.00 0.00 C ATOM 961 CG ARG A 119 7.487 -0.902 -2.976 1.00 0.00 C ATOM 962 CD ARG A 119 8.808 -1.550 -3.416 1.00 0.00 C ATOM 963 NE ARG A 119 9.496 -0.688 -4.371 1.00 0.00 N ATOM 964 CZ ARG A 119 10.809 -0.782 -4.560 1.00 0.00 C ATOM 965 NH1 ARG A 119 11.505 -1.651 -3.880 1.00 0.00 N ATOM 966 NH2 ARG A 119 11.400 -0.004 -5.424 1.00 0.00 N ATOM 0 H ARG A 119 7.041 1.770 -1.762 1.00 0.00 H new ATOM 0 HA ARG A 119 5.379 -0.412 -1.629 1.00 0.00 H new ATOM 0 HB2 ARG A 119 8.345 0.034 -1.224 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.687 -1.562 -0.925 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.651 -1.557 -3.221 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.331 0.030 -3.518 1.00 0.00 H new ATOM 0 HD2 ARG A 119 9.444 -1.724 -2.548 1.00 0.00 H new ATOM 0 HD3 ARG A 119 8.612 -2.523 -3.868 1.00 0.00 H new ATOM 0 HE ARG A 119 8.961 -0.002 -4.903 1.00 0.00 H new ATOM 0 HH11 ARG A 119 11.042 -2.258 -3.204 1.00 0.00 H new ATOM 0 HH12 ARG A 119 12.512 -1.723 -4.025 1.00 0.00 H new ATOM 0 HH21 ARG A 119 10.855 0.676 -5.954 1.00 0.00 H new ATOM 0 HH22 ARG A 119 12.407 -0.076 -5.569 1.00 0.00 H new ATOM 980 N GLU A 120 6.608 0.364 1.338 1.00 0.00 N ATOM 981 CA GLU A 120 6.428 0.130 2.768 1.00 0.00 C ATOM 982 C GLU A 120 4.988 0.409 3.180 1.00 0.00 C ATOM 983 O GLU A 120 4.377 -0.383 3.897 1.00 0.00 O ATOM 984 CB GLU A 120 7.376 1.027 3.570 1.00 0.00 C ATOM 985 CG GLU A 120 8.817 0.545 3.380 1.00 0.00 C ATOM 986 CD GLU A 120 9.050 -0.730 4.181 1.00 0.00 C ATOM 987 OE1 GLU A 120 8.171 -1.100 4.942 1.00 0.00 O ATOM 988 OE2 GLU A 120 10.106 -1.322 4.021 1.00 0.00 O ATOM 0 H GLU A 120 7.288 1.088 1.106 1.00 0.00 H new ATOM 0 HA GLU A 120 6.656 -0.915 2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.281 2.062 3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.110 1.003 4.627 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.011 0.361 2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.514 1.319 3.702 1.00 0.00 H new ATOM 995 N GLU A 121 4.447 1.535 2.724 1.00 0.00 N ATOM 996 CA GLU A 121 3.076 1.889 3.057 1.00 0.00 C ATOM 997 C GLU A 121 2.142 0.729 2.727 1.00 0.00 C ATOM 998 O GLU A 121 1.334 0.319 3.560 1.00 0.00 O ATOM 999 CB GLU A 121 2.651 3.144 2.282 1.00 0.00 C ATOM 1000 CG GLU A 121 2.940 4.395 3.118 1.00 0.00 C ATOM 1001 CD GLU A 121 4.439 4.527 3.358 1.00 0.00 C ATOM 1002 OE1 GLU A 121 4.912 3.972 4.338 1.00 0.00 O ATOM 1003 OE2 GLU A 121 5.092 5.180 2.561 1.00 0.00 O ATOM 0 H GLU A 121 4.932 2.209 2.131 1.00 0.00 H new ATOM 0 HA GLU A 121 3.016 2.098 4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.188 3.197 1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.589 3.093 2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 121 2.566 5.280 2.604 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.415 4.335 4.071 1.00 0.00 H new ATOM 1010 N PHE A 122 2.265 0.196 1.513 1.00 0.00 N ATOM 1011 CA PHE A 122 1.430 -0.926 1.097 1.00 0.00 C ATOM 1012 C PHE A 122 1.562 -2.079 2.085 1.00 0.00 C ATOM 1013 O PHE A 122 0.572 -2.552 2.642 1.00 0.00 O ATOM 1014 CB PHE A 122 1.841 -1.413 -0.297 1.00 0.00 C ATOM 1015 CG PHE A 122 1.643 -0.326 -1.333 1.00 0.00 C ATOM 1016 CD1 PHE A 122 0.583 0.589 -1.230 1.00 0.00 C ATOM 1017 CD2 PHE A 122 2.530 -0.242 -2.412 1.00 0.00 C ATOM 1018 CE1 PHE A 122 0.417 1.580 -2.205 1.00 0.00 C ATOM 1019 CE2 PHE A 122 2.362 0.749 -3.383 1.00 0.00 C ATOM 1020 CZ PHE A 122 1.307 1.660 -3.281 1.00 0.00 C ATOM 0 H PHE A 122 2.927 0.519 0.808 1.00 0.00 H new ATOM 0 HA PHE A 122 0.395 -0.585 1.070 1.00 0.00 H new ATOM 0 HB2 PHE A 122 2.886 -1.722 -0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 122 1.253 -2.290 -0.568 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.104 0.528 -0.399 1.00 0.00 H new ATOM 0 HD2 PHE A 122 3.346 -0.944 -2.495 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.399 2.283 -2.126 1.00 0.00 H new ATOM 0 HE2 PHE A 122 3.049 0.811 -4.214 1.00 0.00 H new ATOM 0 HZ PHE A 122 1.179 2.425 -4.032 1.00 0.00 H new ATOM 1030 N HIS A 123 2.792 -2.530 2.296 1.00 0.00 N ATOM 1031 CA HIS A 123 3.046 -3.629 3.218 1.00 0.00 C ATOM 1032 C HIS A 123 2.244 -3.452 4.503 1.00 0.00 C ATOM 1033 O HIS A 123 1.631 -4.397 5.002 1.00 0.00 O ATOM 1034 CB HIS A 123 4.534 -3.685 3.553 1.00 0.00 C ATOM 1035 CG HIS A 123 4.787 -4.789 4.544 1.00 0.00 C ATOM 1036 ND1 HIS A 123 4.296 -6.073 4.362 1.00 0.00 N ATOM 1037 CD2 HIS A 123 5.473 -4.816 5.732 1.00 0.00 C ATOM 1038 CE1 HIS A 123 4.693 -6.813 5.414 1.00 0.00 C ATOM 1039 NE2 HIS A 123 5.414 -6.094 6.280 1.00 0.00 N ATOM 0 H HIS A 123 3.625 -2.154 1.844 1.00 0.00 H new ATOM 0 HA HIS A 123 2.740 -4.559 2.739 1.00 0.00 H new ATOM 0 HB2 HIS A 123 5.115 -3.856 2.647 1.00 0.00 H new ATOM 0 HB3 HIS A 123 4.860 -2.730 3.966 1.00 0.00 H new ATOM 0 HD2 HIS A 123 5.982 -3.973 6.175 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.458 -7.859 5.543 1.00 0.00 H new ATOM 0 HE2 HIS A 123 5.831 -6.413 7.154 1.00 0.00 H new ATOM 1047 N ARG A 124 2.264 -2.239 5.041 1.00 0.00 N ATOM 1048 CA ARG A 124 1.548 -1.947 6.278 1.00 0.00 C ATOM 1049 C ARG A 124 0.043 -2.155 6.113 1.00 0.00 C ATOM 1050 O ARG A 124 -0.542 -3.028 6.751 1.00 0.00 O ATOM 1051 CB ARG A 124 1.817 -0.502 6.709 1.00 0.00 C ATOM 1052 CG ARG A 124 3.248 -0.385 7.240 1.00 0.00 C ATOM 1053 CD ARG A 124 3.627 1.091 7.364 1.00 0.00 C ATOM 1054 NE ARG A 124 2.479 1.871 7.814 1.00 0.00 N ATOM 1055 CZ ARG A 124 2.639 3.048 8.412 1.00 0.00 C ATOM 1056 NH1 ARG A 124 3.838 3.521 8.609 1.00 0.00 N ATOM 1057 NH2 ARG A 124 1.596 3.728 8.803 1.00 0.00 N ATOM 0 H ARG A 124 2.765 -1.445 4.643 1.00 0.00 H new ATOM 0 HA ARG A 124 1.909 -2.635 7.042 1.00 0.00 H new ATOM 0 HB2 ARG A 124 1.675 0.173 5.865 1.00 0.00 H new ATOM 0 HB3 ARG A 124 1.106 -0.203 7.479 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.328 -0.875 8.210 1.00 0.00 H new ATOM 0 HG3 ARG A 124 3.939 -0.894 6.568 1.00 0.00 H new ATOM 0 HD2 ARG A 124 4.451 1.204 8.068 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.976 1.466 6.402 1.00 0.00 H new ATOM 0 HE ARG A 124 1.537 1.507 7.667 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.653 2.988 8.304 1.00 0.00 H new ATOM 0 HH12 ARG A 124 3.961 4.424 9.068 1.00 0.00 H new ATOM 0 HH21 ARG A 124 0.658 3.357 8.650 1.00 0.00 H new ATOM 0 HH22 ARG A 124 1.718 4.631 9.262 1.00 0.00 H new ATOM 1071 N ARG A 125 -0.583 -1.342 5.269 1.00 0.00 N ATOM 1072 CA ARG A 125 -2.026 -1.454 5.058 1.00 0.00 C ATOM 1073 C ARG A 125 -2.403 -2.850 4.562 1.00 0.00 C ATOM 1074 O ARG A 125 -3.580 -3.213 4.551 1.00 0.00 O ATOM 1075 CB ARG A 125 -2.522 -0.390 4.066 1.00 0.00 C ATOM 1076 CG ARG A 125 -1.577 -0.283 2.861 1.00 0.00 C ATOM 1077 CD ARG A 125 -1.414 1.189 2.473 1.00 0.00 C ATOM 1078 NE ARG A 125 -0.559 1.873 3.438 1.00 0.00 N ATOM 1079 CZ ARG A 125 -0.645 3.186 3.623 1.00 0.00 C ATOM 1080 NH1 ARG A 125 -1.504 3.889 2.936 1.00 0.00 N ATOM 1081 NH2 ARG A 125 0.129 3.773 4.494 1.00 0.00 N ATOM 0 H ARG A 125 -0.125 -0.609 4.727 1.00 0.00 H new ATOM 0 HA ARG A 125 -2.512 -1.286 6.019 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -3.526 -0.644 3.725 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -2.591 0.576 4.566 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.607 -0.716 3.106 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.976 -0.850 2.020 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -0.981 1.264 1.475 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -2.390 1.673 2.434 1.00 0.00 H new ATOM 0 HE ARG A 125 0.116 1.334 3.980 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -2.110 3.430 2.256 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -1.569 4.897 3.079 1.00 0.00 H new ATOM 0 HH21 ARG A 125 0.799 3.224 5.032 1.00 0.00 H new ATOM 0 HH22 ARG A 125 0.064 4.781 4.637 1.00 0.00 H new ATOM 1095 N LEU A 126 -1.406 -3.632 4.160 1.00 0.00 N ATOM 1096 CA LEU A 126 -1.666 -4.987 3.678 1.00 0.00 C ATOM 1097 C LEU A 126 -1.857 -5.938 4.858 1.00 0.00 C ATOM 1098 O LEU A 126 -2.909 -6.562 4.996 1.00 0.00 O ATOM 1099 CB LEU A 126 -0.502 -5.472 2.795 1.00 0.00 C ATOM 1100 CG LEU A 126 -0.884 -5.408 1.306 1.00 0.00 C ATOM 1101 CD1 LEU A 126 -2.112 -6.294 1.036 1.00 0.00 C ATOM 1102 CD2 LEU A 126 -1.186 -3.956 0.903 1.00 0.00 C ATOM 0 H LEU A 126 -0.424 -3.358 4.157 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.578 -4.975 3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.379 -4.856 2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.237 -6.495 3.064 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.047 -5.775 0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.374 -6.241 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.882 -7.326 1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.952 -5.944 1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.455 -3.920 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.014 -3.577 1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -0.303 -3.340 1.073 1.00 0.00 H new ATOM 1114 N LYS A 127 -0.839 -6.042 5.707 1.00 0.00 N ATOM 1115 CA LYS A 127 -0.924 -6.921 6.866 1.00 0.00 C ATOM 1116 C LYS A 127 -2.093 -6.505 7.756 1.00 0.00 C ATOM 1117 O LYS A 127 -2.710 -7.337 8.419 1.00 0.00 O ATOM 1118 CB LYS A 127 0.392 -6.889 7.657 1.00 0.00 C ATOM 1119 CG LYS A 127 0.495 -5.597 8.486 1.00 0.00 C ATOM 1120 CD LYS A 127 0.048 -5.858 9.932 1.00 0.00 C ATOM 1121 CE LYS A 127 1.222 -6.416 10.742 1.00 0.00 C ATOM 1122 NZ LYS A 127 2.151 -5.305 11.098 1.00 0.00 N ATOM 0 H LYS A 127 0.042 -5.536 5.616 1.00 0.00 H new ATOM 0 HA LYS A 127 -1.094 -7.941 6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.448 -7.756 8.316 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.236 -6.956 6.971 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.521 -5.230 8.475 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -0.126 -4.820 8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -0.312 -4.934 10.384 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.783 -6.563 9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 127 0.856 -6.902 11.646 1.00 0.00 H new ATOM 0 HE3 LYS A 127 1.749 -7.174 10.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 2.789 -5.616 11.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 2.712 -5.040 10.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 1.602 -4.483 11.421 1.00 0.00 H new ATOM 1136 N VAL A 128 -2.397 -5.210 7.752 1.00 0.00 N ATOM 1137 CA VAL A 128 -3.500 -4.692 8.552 1.00 0.00 C ATOM 1138 C VAL A 128 -4.831 -5.075 7.918 1.00 0.00 C ATOM 1139 O VAL A 128 -5.742 -5.545 8.599 1.00 0.00 O ATOM 1140 CB VAL A 128 -3.399 -3.167 8.662 1.00 0.00 C ATOM 1141 CG1 VAL A 128 -4.667 -2.613 9.316 1.00 0.00 C ATOM 1142 CG2 VAL A 128 -2.185 -2.796 9.517 1.00 0.00 C ATOM 0 H VAL A 128 -1.899 -4.506 7.208 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.443 -5.126 9.550 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.289 -2.741 7.665 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -4.593 -1.528 9.393 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -5.534 -2.875 8.709 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -4.779 -3.041 10.312 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.113 -1.711 9.595 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.296 -3.225 10.513 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.280 -3.187 9.053 1.00 0.00 H new ATOM 1152 N TYR A 129 -4.934 -4.879 6.606 1.00 0.00 N ATOM 1153 CA TYR A 129 -6.157 -5.215 5.889 1.00 0.00 C ATOM 1154 C TYR A 129 -6.430 -6.713 5.987 1.00 0.00 C ATOM 1155 O TYR A 129 -7.576 -7.138 6.130 1.00 0.00 O ATOM 1156 CB TYR A 129 -6.025 -4.800 4.419 1.00 0.00 C ATOM 1157 CG TYR A 129 -7.053 -5.528 3.581 1.00 0.00 C ATOM 1158 CD1 TYR A 129 -8.415 -5.389 3.871 1.00 0.00 C ATOM 1159 CD2 TYR A 129 -6.644 -6.341 2.517 1.00 0.00 C ATOM 1160 CE1 TYR A 129 -9.368 -6.064 3.096 1.00 0.00 C ATOM 1161 CE2 TYR A 129 -7.596 -7.014 1.743 1.00 0.00 C ATOM 1162 CZ TYR A 129 -8.957 -6.876 2.033 1.00 0.00 C ATOM 1163 OH TYR A 129 -9.896 -7.540 1.269 1.00 0.00 O ATOM 0 H TYR A 129 -4.191 -4.493 6.023 1.00 0.00 H new ATOM 0 HA TYR A 129 -6.992 -4.678 6.339 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -6.162 -3.723 4.323 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -5.022 -5.027 4.057 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.732 -4.762 4.691 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -5.593 -6.449 2.293 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.419 -5.957 3.319 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -7.280 -7.640 0.922 1.00 0.00 H new ATOM 0 HH TYR A 129 -10.727 -7.022 1.249 1.00 0.00 H new ATOM 1173 N HIS A 130 -5.368 -7.509 5.909 1.00 0.00 N ATOM 1174 CA HIS A 130 -5.503 -8.959 5.992 1.00 0.00 C ATOM 1175 C HIS A 130 -5.801 -9.388 7.425 1.00 0.00 C ATOM 1176 O HIS A 130 -6.492 -10.380 7.655 1.00 0.00 O ATOM 1177 CB HIS A 130 -4.216 -9.632 5.513 1.00 0.00 C ATOM 1178 CG HIS A 130 -4.081 -9.456 4.026 1.00 0.00 C ATOM 1179 ND1 HIS A 130 -5.169 -9.528 3.171 1.00 0.00 N ATOM 1180 CD2 HIS A 130 -2.991 -9.210 3.226 1.00 0.00 C ATOM 1181 CE1 HIS A 130 -4.716 -9.329 1.919 1.00 0.00 C ATOM 1182 NE2 HIS A 130 -3.396 -9.129 1.897 1.00 0.00 N ATOM 0 H HIS A 130 -4.411 -7.177 5.789 1.00 0.00 H new ATOM 0 HA HIS A 130 -6.332 -9.265 5.353 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -3.355 -9.197 6.021 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -4.232 -10.693 5.764 1.00 0.00 H new ATOM 0 HD1 HIS A 130 -6.137 -9.700 3.441 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -1.975 -9.097 3.575 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -5.343 -9.331 1.040 1.00 0.00 H new ATOM 1190 N ALA A 131 -5.278 -8.632 8.385 1.00 0.00 N ATOM 1191 CA ALA A 131 -5.497 -8.945 9.792 1.00 0.00 C ATOM 1192 C ALA A 131 -6.933 -8.622 10.188 1.00 0.00 C ATOM 1193 O ALA A 131 -7.648 -9.472 10.719 1.00 0.00 O ATOM 1194 CB ALA A 131 -4.532 -8.141 10.664 1.00 0.00 C ATOM 0 H ALA A 131 -4.705 -7.805 8.217 1.00 0.00 H new ATOM 0 HA ALA A 131 -5.317 -10.009 9.943 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -4.703 -8.382 11.713 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.505 -8.392 10.397 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.699 -7.076 10.504 1.00 0.00 H new ATOM 1200 N TRP A 132 -7.349 -7.390 9.921 1.00 0.00 N ATOM 1201 CA TRP A 132 -8.703 -6.963 10.246 1.00 0.00 C ATOM 1202 C TRP A 132 -9.720 -7.813 9.485 1.00 0.00 C ATOM 1203 O TRP A 132 -10.766 -8.174 10.023 1.00 0.00 O ATOM 1204 CB TRP A 132 -8.878 -5.481 9.892 1.00 0.00 C ATOM 1205 CG TRP A 132 -10.330 -5.168 9.708 1.00 0.00 C ATOM 1206 CD1 TRP A 132 -11.145 -4.658 10.659 1.00 0.00 C ATOM 1207 CD2 TRP A 132 -11.146 -5.337 8.514 1.00 0.00 C ATOM 1208 NE1 TRP A 132 -12.411 -4.504 10.124 1.00 0.00 N ATOM 1209 CE2 TRP A 132 -12.462 -4.908 8.805 1.00 0.00 C ATOM 1210 CE3 TRP A 132 -10.874 -5.816 7.220 1.00 0.00 C ATOM 1211 CZ2 TRP A 132 -13.474 -4.954 7.846 1.00 0.00 C ATOM 1212 CZ3 TRP A 132 -11.891 -5.864 6.253 1.00 0.00 C ATOM 1213 CH2 TRP A 132 -13.187 -5.433 6.565 1.00 0.00 C ATOM 0 H TRP A 132 -6.771 -6.673 9.483 1.00 0.00 H new ATOM 0 HA TRP A 132 -8.872 -7.094 11.315 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -8.460 -4.858 10.683 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -8.329 -5.249 8.980 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -10.855 -4.412 11.670 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -13.210 -4.137 10.641 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -9.878 -6.149 6.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -14.472 -4.622 8.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -11.673 -6.235 5.263 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -13.964 -5.471 5.816 1.00 0.00 H new ATOM 1224 N LYS A 133 -9.403 -8.131 8.233 1.00 0.00 N ATOM 1225 CA LYS A 133 -10.296 -8.941 7.414 1.00 0.00 C ATOM 1226 C LYS A 133 -10.418 -10.348 7.987 1.00 0.00 C ATOM 1227 O LYS A 133 -11.505 -10.925 8.019 1.00 0.00 O ATOM 1228 CB LYS A 133 -9.768 -9.017 5.980 1.00 0.00 C ATOM 1229 CG LYS A 133 -10.755 -9.803 5.111 1.00 0.00 C ATOM 1230 CD LYS A 133 -10.577 -9.404 3.646 1.00 0.00 C ATOM 1231 CE LYS A 133 -9.182 -9.811 3.168 1.00 0.00 C ATOM 1232 NZ LYS A 133 -9.145 -9.802 1.679 1.00 0.00 N ATOM 0 H LYS A 133 -8.542 -7.843 7.768 1.00 0.00 H new ATOM 0 HA LYS A 133 -11.280 -8.473 7.413 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -9.633 -8.013 5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -8.791 -9.500 5.966 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -10.588 -10.873 5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -11.777 -9.603 5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -11.338 -9.887 3.032 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -10.712 -8.328 3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -8.435 -9.124 3.565 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -8.933 -10.804 3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -8.188 -10.046 1.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -9.823 -10.499 1.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -9.398 -8.855 1.331 1.00 0.00 H new ATOM 1246 N SER A 134 -9.294 -10.892 8.445 1.00 0.00 N ATOM 1247 CA SER A 134 -9.285 -12.232 9.021 1.00 0.00 C ATOM 1248 C SER A 134 -10.038 -12.243 10.345 1.00 0.00 C ATOM 1249 O SER A 134 -10.677 -13.233 10.703 1.00 0.00 O ATOM 1250 CB SER A 134 -7.846 -12.689 9.252 1.00 0.00 C ATOM 1251 OG SER A 134 -7.834 -14.084 9.527 1.00 0.00 O ATOM 0 H SER A 134 -8.385 -10.430 8.429 1.00 0.00 H new ATOM 0 HA SER A 134 -9.776 -12.913 8.326 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.239 -12.475 8.372 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.407 -12.139 10.084 1.00 0.00 H new ATOM 0 HG SER A 134 -6.912 -14.380 9.674 1.00 0.00 H new ATOM 1257 N LYS A 135 -9.955 -11.132 11.068 1.00 0.00 N ATOM 1258 CA LYS A 135 -10.627 -11.012 12.356 1.00 0.00 C ATOM 1259 C LYS A 135 -12.085 -10.607 12.166 1.00 0.00 C ATOM 1260 O LYS A 135 -12.900 -10.744 13.077 1.00 0.00 O ATOM 1261 CB LYS A 135 -9.910 -9.968 13.213 1.00 0.00 C ATOM 1262 CG LYS A 135 -8.571 -10.533 13.692 1.00 0.00 C ATOM 1263 CD LYS A 135 -7.681 -9.394 14.195 1.00 0.00 C ATOM 1264 CE LYS A 135 -6.268 -9.922 14.447 1.00 0.00 C ATOM 1265 NZ LYS A 135 -6.284 -10.845 15.617 1.00 0.00 N ATOM 0 H LYS A 135 -9.431 -10.304 10.785 1.00 0.00 H new ATOM 0 HA LYS A 135 -10.598 -11.980 12.856 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -9.747 -9.058 12.636 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -10.529 -9.697 14.068 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -8.735 -11.258 14.489 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -8.076 -11.062 12.877 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -7.654 -8.589 13.461 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -8.093 -8.975 15.113 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -5.900 -10.444 13.564 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -5.586 -9.092 14.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -5.308 -11.098 15.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -6.743 -10.375 16.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -6.812 -11.707 15.372 1.00 0.00 H new