USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 721 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 61 THR OG1 : rot 180:sc= 0.0166 USER MOD Set 1.2: A 82 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 65 HIS : no HE2:sc= -2.08 K(o=-2.6,f=-11!) USER MOD Set 2.2: A 77 MET CE :methyl -147:sc= -0.513 (180deg=-3.58!) USER MOD Single : A 14 SER OG : rot -43:sc= -0.361 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 180:sc=-0.00236 USER MOD Single : A 36 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0119 K(o=-0.012,f=-0.67) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= -0.0288 (180deg=-0.252) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc=-0.00643 X(o=-0.0064,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.138 USER MOD Single : A 62 SER OG : rot -24:sc= 0.341 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 1:sc= 0.531 USER MOD Single : A 79 CYS SG : rot 90:sc= -2.75 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc=-0.00963 X(o=-0.0096,f=0) USER MOD Single : A 98 CYS SG : rot 110:sc= 1.03 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 9 -3.004 7.291 17.914 1.00 0.00 N ATOM 88 CA PRO A 9 -3.319 6.944 16.538 1.00 0.00 C ATOM 89 C PRO A 9 -3.546 8.200 15.695 1.00 0.00 C ATOM 90 O PRO A 9 -4.367 9.047 16.044 1.00 0.00 O ATOM 91 CB PRO A 9 -4.550 6.058 16.628 1.00 0.00 C ATOM 92 CG PRO A 9 -5.152 6.318 17.999 1.00 0.00 C ATOM 93 CD PRO A 9 -4.117 7.060 18.830 1.00 0.00 C ATOM 0 HA PRO A 9 -2.504 6.420 16.038 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.262 6.297 15.838 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.284 5.007 16.511 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.064 6.908 17.910 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.426 5.379 18.480 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.516 7.999 19.213 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.805 6.471 19.692 1.00 0.00 H new ATOM 101 N ILE A 10 -2.804 8.281 14.600 1.00 0.00 N ATOM 102 CA ILE A 10 -2.914 9.420 13.704 1.00 0.00 C ATOM 103 C ILE A 10 -4.163 9.260 12.834 1.00 0.00 C ATOM 104 O ILE A 10 -4.914 10.214 12.638 1.00 0.00 O ATOM 105 CB ILE A 10 -1.624 9.597 12.901 1.00 0.00 C ATOM 106 CG1 ILE A 10 -0.402 9.598 13.821 1.00 0.00 C ATOM 107 CG2 ILE A 10 -1.688 10.853 12.030 1.00 0.00 C ATOM 108 CD1 ILE A 10 0.852 9.150 13.068 1.00 0.00 C ATOM 0 H ILE A 10 -2.124 7.577 14.313 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.037 10.342 14.273 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.520 8.745 12.229 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.249 10.598 14.227 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.579 8.934 14.667 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.759 10.955 11.470 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.524 10.772 11.335 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.828 11.729 12.664 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.706 9.160 13.745 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.705 8.140 12.684 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.040 9.830 12.237 1.00 0.00 H new ATOM 120 N GLY A 11 -4.346 8.046 12.336 1.00 0.00 N ATOM 121 CA GLY A 11 -5.491 7.748 11.492 1.00 0.00 C ATOM 122 C GLY A 11 -5.682 6.238 11.340 1.00 0.00 C ATOM 123 O GLY A 11 -4.721 5.508 11.103 1.00 0.00 O ATOM 0 H GLY A 11 -3.721 7.257 12.501 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.389 8.190 11.922 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.352 8.201 10.511 1.00 0.00 H new ATOM 127 N GLU A 12 -6.930 5.815 11.482 1.00 0.00 N ATOM 128 CA GLU A 12 -7.259 4.405 11.363 1.00 0.00 C ATOM 129 C GLU A 12 -7.847 4.111 9.981 1.00 0.00 C ATOM 130 O GLU A 12 -8.817 4.744 9.568 1.00 0.00 O ATOM 131 CB GLU A 12 -8.222 3.971 12.471 1.00 0.00 C ATOM 132 CG GLU A 12 -8.638 2.510 12.295 1.00 0.00 C ATOM 133 CD GLU A 12 -10.044 2.408 11.699 1.00 0.00 C ATOM 134 OE1 GLU A 12 -10.998 2.733 12.437 1.00 0.00 O ATOM 135 OE2 GLU A 12 -10.132 2.006 10.518 1.00 0.00 O ATOM 0 H GLU A 12 -7.725 6.424 11.678 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.341 3.828 11.477 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.747 4.103 13.443 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.106 4.608 12.459 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.926 2.001 11.645 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.610 2.002 13.259 1.00 0.00 H new ATOM 142 N ALA A 13 -7.233 3.151 9.304 1.00 0.00 N ATOM 143 CA ALA A 13 -7.683 2.766 7.977 1.00 0.00 C ATOM 144 C ALA A 13 -8.293 1.364 8.037 1.00 0.00 C ATOM 145 O ALA A 13 -7.809 0.504 8.771 1.00 0.00 O ATOM 146 CB ALA A 13 -6.512 2.852 6.996 1.00 0.00 C ATOM 0 H ALA A 13 -6.428 2.629 9.650 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.456 3.447 7.621 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.849 2.563 6.001 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.134 3.874 6.969 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.717 2.180 7.319 1.00 0.00 H new ATOM 152 N SER A 14 -9.345 1.177 7.255 1.00 0.00 N ATOM 153 CA SER A 14 -10.026 -0.106 7.209 1.00 0.00 C ATOM 154 C SER A 14 -9.855 -0.740 5.827 1.00 0.00 C ATOM 155 O SER A 14 -10.031 -0.073 4.808 1.00 0.00 O ATOM 156 CB SER A 14 -11.511 0.046 7.543 1.00 0.00 C ATOM 157 OG SER A 14 -11.754 1.156 8.404 1.00 0.00 O ATOM 0 H SER A 14 -9.743 1.893 6.647 1.00 0.00 H new ATOM 0 HA SER A 14 -9.578 -0.758 7.959 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.079 0.171 6.621 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.871 -0.867 8.018 1.00 0.00 H new ATOM 0 HG SER A 14 -11.072 1.180 9.107 1.00 0.00 H new ATOM 163 N ILE A 15 -9.514 -2.020 5.837 1.00 0.00 N ATOM 164 CA ILE A 15 -9.318 -2.752 4.597 1.00 0.00 C ATOM 165 C ILE A 15 -10.679 -3.165 4.033 1.00 0.00 C ATOM 166 O ILE A 15 -11.483 -3.780 4.731 1.00 0.00 O ATOM 167 CB ILE A 15 -8.360 -3.925 4.813 1.00 0.00 C ATOM 168 CG1 ILE A 15 -6.912 -3.440 4.910 1.00 0.00 C ATOM 169 CG2 ILE A 15 -8.537 -4.985 3.725 1.00 0.00 C ATOM 170 CD1 ILE A 15 -5.994 -4.552 5.420 1.00 0.00 C ATOM 0 H ILE A 15 -9.368 -2.569 6.684 1.00 0.00 H new ATOM 0 HA ILE A 15 -8.843 -2.116 3.850 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.606 -4.396 5.765 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.571 -3.103 3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.856 -2.582 5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.844 -5.808 3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.560 -5.361 3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.333 -4.543 2.750 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.971 -4.181 5.479 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.323 -4.870 6.409 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.033 -5.399 4.735 1.00 0.00 H new ATOM 182 N LEU A 16 -10.894 -2.810 2.775 1.00 0.00 N ATOM 183 CA LEU A 16 -12.144 -3.136 2.108 1.00 0.00 C ATOM 184 C LEU A 16 -11.916 -4.309 1.152 1.00 0.00 C ATOM 185 O LEU A 16 -12.802 -5.141 0.963 1.00 0.00 O ATOM 186 CB LEU A 16 -12.730 -1.896 1.431 1.00 0.00 C ATOM 187 CG LEU A 16 -12.655 -0.595 2.234 1.00 0.00 C ATOM 188 CD1 LEU A 16 -12.863 0.621 1.329 1.00 0.00 C ATOM 189 CD2 LEU A 16 -13.642 -0.615 3.403 1.00 0.00 C ATOM 0 H LEU A 16 -10.224 -2.300 2.200 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.891 -3.456 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.213 -1.745 0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.776 -2.095 1.196 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.654 -0.513 2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.805 1.532 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.090 0.640 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -13.843 0.559 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.569 0.321 3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.656 -0.732 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.405 -1.448 4.065 1.00 0.00 H new ATOM 201 N ALA A 17 -10.724 -4.337 0.575 1.00 0.00 N ATOM 202 CA ALA A 17 -10.369 -5.393 -0.357 1.00 0.00 C ATOM 203 C ALA A 17 -8.882 -5.723 -0.206 1.00 0.00 C ATOM 204 O ALA A 17 -8.098 -4.882 0.233 1.00 0.00 O ATOM 205 CB ALA A 17 -10.728 -4.962 -1.780 1.00 0.00 C ATOM 0 H ALA A 17 -9.992 -3.645 0.735 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.932 -6.300 -0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.461 -5.755 -2.479 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.799 -4.769 -1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.180 -4.055 -2.035 1.00 0.00 H new ATOM 211 N THR A 18 -8.539 -6.947 -0.577 1.00 0.00 N ATOM 212 CA THR A 18 -7.160 -7.398 -0.488 1.00 0.00 C ATOM 213 C THR A 18 -6.798 -8.248 -1.707 1.00 0.00 C ATOM 214 O THR A 18 -7.585 -9.090 -2.137 1.00 0.00 O ATOM 215 CB THR A 18 -6.989 -8.136 0.841 1.00 0.00 C ATOM 216 OG1 THR A 18 -7.716 -9.348 0.661 1.00 0.00 O ATOM 217 CG2 THR A 18 -7.710 -7.438 1.996 1.00 0.00 C ATOM 0 H THR A 18 -9.192 -7.641 -0.940 1.00 0.00 H new ATOM 0 HA THR A 18 -6.467 -6.557 -0.500 1.00 0.00 H new ATOM 0 HB THR A 18 -5.928 -8.221 1.074 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.657 -9.889 1.476 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.556 -8.003 2.915 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.311 -6.431 2.118 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.777 -7.382 1.778 1.00 0.00 H new ATOM 225 N PHE A 19 -5.605 -8.000 -2.228 1.00 0.00 N ATOM 226 CA PHE A 19 -5.128 -8.732 -3.389 1.00 0.00 C ATOM 227 C PHE A 19 -3.600 -8.792 -3.410 1.00 0.00 C ATOM 228 O PHE A 19 -2.943 -8.284 -2.503 1.00 0.00 O ATOM 229 CB PHE A 19 -5.614 -7.975 -4.627 1.00 0.00 C ATOM 230 CG PHE A 19 -5.143 -6.521 -4.691 1.00 0.00 C ATOM 231 CD1 PHE A 19 -3.834 -6.240 -4.928 1.00 0.00 C ATOM 232 CD2 PHE A 19 -6.033 -5.509 -4.510 1.00 0.00 C ATOM 233 CE1 PHE A 19 -3.396 -4.890 -4.988 1.00 0.00 C ATOM 234 CE2 PHE A 19 -5.596 -4.159 -4.570 1.00 0.00 C ATOM 235 CZ PHE A 19 -4.287 -3.878 -4.807 1.00 0.00 C ATOM 0 H PHE A 19 -4.954 -7.302 -1.867 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.505 -9.755 -3.364 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.269 -8.498 -5.519 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.704 -7.995 -4.648 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.127 -7.044 -5.071 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.073 -5.732 -4.321 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.356 -4.667 -5.177 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.304 -3.356 -4.427 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.955 -2.851 -4.852 1.00 0.00 H new ATOM 245 N THR A 20 -3.078 -9.418 -4.454 1.00 0.00 N ATOM 246 CA THR A 20 -1.639 -9.551 -4.605 1.00 0.00 C ATOM 247 C THR A 20 -1.173 -8.877 -5.897 1.00 0.00 C ATOM 248 O THR A 20 -1.980 -8.601 -6.783 1.00 0.00 O ATOM 249 CB THR A 20 -1.292 -11.040 -4.538 1.00 0.00 C ATOM 250 OG1 THR A 20 -2.184 -11.560 -3.556 1.00 0.00 O ATOM 251 CG2 THR A 20 0.097 -11.292 -3.949 1.00 0.00 C ATOM 0 H THR A 20 -3.626 -9.839 -5.204 1.00 0.00 H new ATOM 0 HA THR A 20 -1.109 -9.042 -3.800 1.00 0.00 H new ATOM 0 HB THR A 20 -1.346 -11.470 -5.538 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.029 -12.522 -3.450 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.293 -12.364 -3.924 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.849 -10.800 -4.566 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.141 -10.892 -2.936 1.00 0.00 H new ATOM 259 N VAL A 21 0.127 -8.631 -5.963 1.00 0.00 N ATOM 260 CA VAL A 21 0.710 -7.994 -7.131 1.00 0.00 C ATOM 261 C VAL A 21 2.031 -8.683 -7.477 1.00 0.00 C ATOM 262 O VAL A 21 2.617 -9.365 -6.638 1.00 0.00 O ATOM 263 CB VAL A 21 0.865 -6.491 -6.885 1.00 0.00 C ATOM 264 CG1 VAL A 21 -0.478 -5.772 -7.020 1.00 0.00 C ATOM 265 CG2 VAL A 21 1.497 -6.222 -5.518 1.00 0.00 C ATOM 0 H VAL A 21 0.793 -8.862 -5.226 1.00 0.00 H new ATOM 0 HA VAL A 21 0.052 -8.102 -7.993 1.00 0.00 H new ATOM 0 HB VAL A 21 1.535 -6.094 -7.648 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.340 -4.706 -6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.872 -5.923 -8.025 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.181 -6.174 -6.291 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.596 -5.147 -5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.864 -6.641 -4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.482 -6.687 -5.475 1.00 0.00 H new ATOM 275 N THR A 22 2.462 -8.481 -8.713 1.00 0.00 N ATOM 276 CA THR A 22 3.703 -9.074 -9.180 1.00 0.00 C ATOM 277 C THR A 22 4.729 -7.984 -9.498 1.00 0.00 C ATOM 278 O THR A 22 4.444 -7.062 -10.260 1.00 0.00 O ATOM 279 CB THR A 22 3.378 -9.970 -10.377 1.00 0.00 C ATOM 280 OG1 THR A 22 2.148 -10.595 -10.019 1.00 0.00 O ATOM 281 CG2 THR A 22 4.360 -11.135 -10.520 1.00 0.00 C ATOM 0 H THR A 22 1.973 -7.914 -9.406 1.00 0.00 H new ATOM 0 HA THR A 22 4.161 -9.692 -8.408 1.00 0.00 H new ATOM 0 HB THR A 22 3.387 -9.374 -11.289 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.863 -11.193 -10.741 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.084 -11.739 -11.384 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.369 -10.746 -10.656 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.327 -11.751 -9.621 1.00 0.00 H new ATOM 289 N GLU A 23 5.901 -8.127 -8.897 1.00 0.00 N ATOM 290 CA GLU A 23 6.971 -7.166 -9.106 1.00 0.00 C ATOM 291 C GLU A 23 8.332 -7.860 -9.022 1.00 0.00 C ATOM 292 O GLU A 23 8.845 -8.097 -7.930 1.00 0.00 O ATOM 293 CB GLU A 23 6.879 -6.016 -8.102 1.00 0.00 C ATOM 294 CG GLU A 23 5.458 -5.452 -8.042 1.00 0.00 C ATOM 295 CD GLU A 23 5.437 -4.091 -7.342 1.00 0.00 C ATOM 296 OE1 GLU A 23 6.307 -3.889 -6.469 1.00 0.00 O ATOM 297 OE2 GLU A 23 4.550 -3.285 -7.697 1.00 0.00 O ATOM 0 H GLU A 23 6.133 -8.894 -8.265 1.00 0.00 H new ATOM 0 HA GLU A 23 6.862 -6.742 -10.104 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.177 -6.367 -7.114 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.576 -5.226 -8.383 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.060 -5.352 -9.052 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.809 -6.148 -7.511 1.00 0.00 H new ATOM 304 N GLY A 24 8.877 -8.167 -10.190 1.00 0.00 N ATOM 305 CA GLY A 24 10.169 -8.829 -10.262 1.00 0.00 C ATOM 306 C GLY A 24 10.039 -10.319 -9.940 1.00 0.00 C ATOM 307 O GLY A 24 10.700 -10.821 -9.032 1.00 0.00 O ATOM 0 H GLY A 24 8.448 -7.970 -11.094 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.591 -8.704 -11.259 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.861 -8.361 -9.562 1.00 0.00 H new ATOM 311 N LYS A 25 9.184 -10.984 -10.702 1.00 0.00 N ATOM 312 CA LYS A 25 8.960 -12.407 -10.510 1.00 0.00 C ATOM 313 C LYS A 25 8.656 -12.676 -9.034 1.00 0.00 C ATOM 314 O LYS A 25 8.934 -13.761 -8.527 1.00 0.00 O ATOM 315 CB LYS A 25 10.141 -13.214 -11.051 1.00 0.00 C ATOM 316 CG LYS A 25 10.171 -13.183 -12.581 1.00 0.00 C ATOM 317 CD LYS A 25 11.609 -13.112 -13.100 1.00 0.00 C ATOM 318 CE LYS A 25 11.778 -13.959 -14.362 1.00 0.00 C ATOM 319 NZ LYS A 25 13.212 -14.205 -14.633 1.00 0.00 N ATOM 0 H LYS A 25 8.638 -10.564 -11.454 1.00 0.00 H new ATOM 0 HA LYS A 25 8.092 -12.736 -11.081 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.073 -12.810 -10.657 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.070 -14.245 -10.706 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.682 -14.073 -12.976 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.607 -12.323 -12.942 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.871 -12.076 -13.315 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.296 -13.461 -12.329 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.256 -14.909 -14.242 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.323 -13.450 -15.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.309 -14.781 -15.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.701 -13.297 -14.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.636 -14.710 -13.828 1.00 0.00 H new ATOM 333 N LYS A 26 8.089 -11.668 -8.387 1.00 0.00 N ATOM 334 CA LYS A 26 7.745 -11.782 -6.980 1.00 0.00 C ATOM 335 C LYS A 26 6.234 -11.605 -6.813 1.00 0.00 C ATOM 336 O LYS A 26 5.542 -11.224 -7.756 1.00 0.00 O ATOM 337 CB LYS A 26 8.575 -10.806 -6.144 1.00 0.00 C ATOM 338 CG LYS A 26 9.812 -11.495 -5.564 1.00 0.00 C ATOM 339 CD LYS A 26 10.082 -11.023 -4.134 1.00 0.00 C ATOM 340 CE LYS A 26 10.683 -9.616 -4.125 1.00 0.00 C ATOM 341 NZ LYS A 26 12.156 -9.681 -4.246 1.00 0.00 N ATOM 0 H LYS A 26 7.859 -10.769 -8.811 1.00 0.00 H new ATOM 0 HA LYS A 26 7.993 -12.775 -6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.881 -9.962 -6.762 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.965 -10.405 -5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.669 -12.576 -5.573 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.678 -11.283 -6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.153 -11.029 -3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.763 -11.716 -3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.270 -9.033 -4.948 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.410 -9.104 -3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.548 -8.718 -4.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.547 -10.220 -3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.411 -10.151 -5.138 1.00 0.00 H new ATOM 355 N LYS A 27 5.767 -11.888 -5.606 1.00 0.00 N ATOM 356 CA LYS A 27 4.351 -11.764 -5.303 1.00 0.00 C ATOM 357 C LYS A 27 4.180 -11.000 -3.989 1.00 0.00 C ATOM 358 O LYS A 27 4.192 -11.597 -2.913 1.00 0.00 O ATOM 359 CB LYS A 27 3.681 -13.140 -5.306 1.00 0.00 C ATOM 360 CG LYS A 27 4.356 -14.082 -4.308 1.00 0.00 C ATOM 361 CD LYS A 27 3.348 -14.611 -3.286 1.00 0.00 C ATOM 362 CE LYS A 27 4.021 -14.869 -1.936 1.00 0.00 C ATOM 363 NZ LYS A 27 3.978 -16.310 -1.602 1.00 0.00 N ATOM 0 H LYS A 27 6.344 -12.203 -4.826 1.00 0.00 H new ATOM 0 HA LYS A 27 3.845 -11.186 -6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.626 -13.035 -5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.729 -13.570 -6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.811 -14.917 -4.841 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.160 -13.556 -3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.539 -13.891 -3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.900 -15.533 -3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.056 -14.528 -1.968 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.520 -14.294 -1.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.439 -16.467 -0.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.988 -16.625 -1.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.477 -16.852 -2.337 1.00 0.00 H new ATOM 377 N ILE A 28 4.024 -9.691 -4.119 1.00 0.00 N ATOM 378 CA ILE A 28 3.851 -8.838 -2.955 1.00 0.00 C ATOM 379 C ILE A 28 2.357 -8.629 -2.700 1.00 0.00 C ATOM 380 O ILE A 28 1.645 -8.102 -3.553 1.00 0.00 O ATOM 381 CB ILE A 28 4.634 -7.535 -3.124 1.00 0.00 C ATOM 382 CG1 ILE A 28 6.090 -7.815 -3.499 1.00 0.00 C ATOM 383 CG2 ILE A 28 4.522 -6.662 -1.873 1.00 0.00 C ATOM 384 CD1 ILE A 28 6.252 -7.941 -5.016 1.00 0.00 C ATOM 0 H ILE A 28 4.014 -9.200 -5.013 1.00 0.00 H new ATOM 0 HA ILE A 28 4.263 -9.317 -2.067 1.00 0.00 H new ATOM 0 HB ILE A 28 4.192 -6.975 -3.948 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.726 -7.011 -3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.423 -8.734 -3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.088 -5.742 -2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.475 -6.419 -1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.923 -7.202 -1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.297 -8.140 -5.255 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.634 -8.761 -5.381 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.941 -7.012 -5.494 1.00 0.00 H new ATOM 396 N PRO A 29 1.914 -9.065 -1.490 1.00 0.00 N ATOM 397 CA PRO A 29 0.518 -8.932 -1.111 1.00 0.00 C ATOM 398 C PRO A 29 0.184 -7.483 -0.750 1.00 0.00 C ATOM 399 O PRO A 29 0.808 -6.901 0.137 1.00 0.00 O ATOM 400 CB PRO A 29 0.332 -9.892 0.053 1.00 0.00 C ATOM 401 CG PRO A 29 1.728 -10.181 0.581 1.00 0.00 C ATOM 402 CD PRO A 29 2.729 -9.695 -0.454 1.00 0.00 C ATOM 0 HA PRO A 29 -0.164 -9.178 -1.925 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.295 -9.450 0.827 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.161 -10.809 -0.271 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.888 -9.675 1.533 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.854 -11.248 0.762 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.435 -8.987 -0.020 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.314 -10.521 -0.858 1.00 0.00 H new ATOM 410 N VAL A 30 -0.799 -6.942 -1.455 1.00 0.00 N ATOM 411 CA VAL A 30 -1.223 -5.573 -1.219 1.00 0.00 C ATOM 412 C VAL A 30 -2.557 -5.578 -0.470 1.00 0.00 C ATOM 413 O VAL A 30 -3.296 -6.559 -0.519 1.00 0.00 O ATOM 414 CB VAL A 30 -1.284 -4.809 -2.544 1.00 0.00 C ATOM 415 CG1 VAL A 30 -1.906 -3.425 -2.350 1.00 0.00 C ATOM 416 CG2 VAL A 30 0.103 -4.702 -3.180 1.00 0.00 C ATOM 0 H VAL A 30 -1.314 -7.427 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.500 -5.052 -0.591 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.922 -5.371 -3.226 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.938 -2.903 -3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.919 -3.532 -1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.305 -2.852 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.031 -4.155 -4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.774 -4.173 -2.503 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.494 -5.701 -3.371 1.00 0.00 H new ATOM 426 N ALA A 31 -2.823 -4.470 0.206 1.00 0.00 N ATOM 427 CA ALA A 31 -4.055 -4.335 0.965 1.00 0.00 C ATOM 428 C ALA A 31 -4.645 -2.943 0.728 1.00 0.00 C ATOM 429 O ALA A 31 -4.011 -1.936 1.040 1.00 0.00 O ATOM 430 CB ALA A 31 -3.776 -4.606 2.445 1.00 0.00 C ATOM 0 H ALA A 31 -2.207 -3.658 0.244 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.792 -5.066 0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.700 -4.505 3.014 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.386 -5.617 2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.042 -3.889 2.814 1.00 0.00 H new ATOM 436 N ASP A 32 -5.850 -2.932 0.179 1.00 0.00 N ATOM 437 CA ASP A 32 -6.532 -1.680 -0.103 1.00 0.00 C ATOM 438 C ASP A 32 -7.468 -1.341 1.058 1.00 0.00 C ATOM 439 O ASP A 32 -8.385 -2.102 1.364 1.00 0.00 O ATOM 440 CB ASP A 32 -7.377 -1.787 -1.375 1.00 0.00 C ATOM 441 CG ASP A 32 -6.875 -0.955 -2.556 1.00 0.00 C ATOM 442 OD1 ASP A 32 -5.637 -0.899 -2.726 1.00 0.00 O ATOM 443 OD2 ASP A 32 -7.739 -0.394 -3.264 1.00 0.00 O ATOM 0 H ASP A 32 -6.372 -3.770 -0.078 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.775 -0.907 -0.236 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.419 -2.833 -1.679 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.397 -1.482 -1.142 1.00 0.00 H new ATOM 448 N CYS A 33 -7.204 -0.198 1.675 1.00 0.00 N ATOM 449 CA CYS A 33 -8.012 0.251 2.796 1.00 0.00 C ATOM 450 C CYS A 33 -8.404 1.710 2.552 1.00 0.00 C ATOM 451 O CYS A 33 -7.693 2.441 1.865 1.00 0.00 O ATOM 452 CB CYS A 33 -7.280 0.072 4.128 1.00 0.00 C ATOM 453 SG CYS A 33 -5.592 0.771 4.013 1.00 0.00 S ATOM 0 H CYS A 33 -6.442 0.430 1.420 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.912 -0.359 2.866 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.834 0.566 4.926 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -7.228 -0.986 4.384 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.980 0.616 5.149 1.00 0.00 H new ATOM 459 N ARG A 34 -9.535 2.089 3.128 1.00 0.00 N ATOM 460 CA ARG A 34 -10.031 3.447 2.982 1.00 0.00 C ATOM 461 C ARG A 34 -9.911 4.202 4.307 1.00 0.00 C ATOM 462 O ARG A 34 -10.533 3.825 5.299 1.00 0.00 O ATOM 463 CB ARG A 34 -11.493 3.454 2.530 1.00 0.00 C ATOM 464 CG ARG A 34 -11.916 4.849 2.065 1.00 0.00 C ATOM 465 CD ARG A 34 -12.098 4.889 0.546 1.00 0.00 C ATOM 466 NE ARG A 34 -13.252 5.746 0.197 1.00 0.00 N ATOM 467 CZ ARG A 34 -14.530 5.350 0.266 1.00 0.00 C ATOM 468 NH1 ARG A 34 -14.826 4.107 0.671 1.00 0.00 N ATOM 469 NH2 ARG A 34 -15.514 6.196 -0.071 1.00 0.00 N ATOM 0 H ARG A 34 -10.122 1.479 3.697 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.425 3.941 2.222 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.630 2.739 1.719 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.133 3.131 3.351 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -12.848 5.132 2.554 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -11.164 5.579 2.364 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.194 5.272 0.073 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.255 3.880 0.164 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.063 6.698 -0.116 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -14.078 3.462 0.927 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -15.799 3.806 0.723 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.290 7.142 -0.380 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -16.487 5.894 -0.018 1.00 0.00 H new ATOM 483 N VAL A 35 -9.105 5.254 4.282 1.00 0.00 N ATOM 484 CA VAL A 35 -8.895 6.065 5.469 1.00 0.00 C ATOM 485 C VAL A 35 -10.251 6.474 6.048 1.00 0.00 C ATOM 486 O VAL A 35 -11.048 7.124 5.372 1.00 0.00 O ATOM 487 CB VAL A 35 -8.002 7.261 5.134 1.00 0.00 C ATOM 488 CG1 VAL A 35 -7.669 8.065 6.392 1.00 0.00 C ATOM 489 CG2 VAL A 35 -6.728 6.810 4.418 1.00 0.00 C ATOM 0 H VAL A 35 -8.590 5.563 3.458 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.374 5.492 6.236 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.554 7.912 4.456 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.033 8.910 6.126 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.591 8.432 6.843 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.146 7.427 7.104 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.111 7.679 4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.172 6.128 5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.992 6.301 3.491 1.00 0.00 H new ATOM 499 N GLN A 36 -10.472 6.078 7.292 1.00 0.00 N ATOM 500 CA GLN A 36 -11.717 6.396 7.970 1.00 0.00 C ATOM 501 C GLN A 36 -11.561 7.674 8.796 1.00 0.00 C ATOM 502 O GLN A 36 -12.500 8.460 8.914 1.00 0.00 O ATOM 503 CB GLN A 36 -12.178 5.229 8.846 1.00 0.00 C ATOM 504 CG GLN A 36 -12.658 4.056 7.989 1.00 0.00 C ATOM 505 CD GLN A 36 -14.057 4.323 7.429 1.00 0.00 C ATOM 506 OE1 GLN A 36 -14.854 5.050 7.999 1.00 0.00 O ATOM 507 NE2 GLN A 36 -14.310 3.696 6.283 1.00 0.00 N ATOM 0 H GLN A 36 -9.809 5.539 7.849 1.00 0.00 H new ATOM 0 HA GLN A 36 -12.485 6.567 7.216 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.358 4.904 9.486 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -12.984 5.558 9.502 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -11.959 3.890 7.169 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -12.669 3.145 8.587 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.598 3.102 5.859 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.216 3.810 5.829 1.00 0.00 H new ATOM 516 N LYS A 37 -10.368 7.842 9.347 1.00 0.00 N ATOM 517 CA LYS A 37 -10.076 9.011 10.159 1.00 0.00 C ATOM 518 C LYS A 37 -8.598 9.377 10.008 1.00 0.00 C ATOM 519 O LYS A 37 -7.745 8.497 9.906 1.00 0.00 O ATOM 520 CB LYS A 37 -10.507 8.778 11.608 1.00 0.00 C ATOM 521 CG LYS A 37 -9.521 7.857 12.331 1.00 0.00 C ATOM 522 CD LYS A 37 -9.734 7.908 13.846 1.00 0.00 C ATOM 523 CE LYS A 37 -8.402 7.803 14.591 1.00 0.00 C ATOM 524 NZ LYS A 37 -8.523 6.878 15.740 1.00 0.00 N ATOM 0 H LYS A 37 -9.592 7.188 9.247 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.653 9.868 9.813 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.569 9.732 12.131 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.504 8.338 11.629 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.646 6.834 11.977 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.499 8.154 12.093 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.233 8.839 14.115 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.391 7.094 14.152 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.626 7.450 13.912 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.095 8.789 14.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.610 6.818 16.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.250 7.231 16.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.794 5.934 15.399 1.00 0.00 H new ATOM 538 N GLY A 38 -8.341 10.676 9.998 1.00 0.00 N ATOM 539 CA GLY A 38 -6.981 11.169 9.860 1.00 0.00 C ATOM 540 C GLY A 38 -6.455 10.939 8.442 1.00 0.00 C ATOM 541 O GLY A 38 -7.175 11.149 7.467 1.00 0.00 O ATOM 0 H GLY A 38 -9.052 11.403 10.083 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.951 12.233 10.095 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.333 10.666 10.578 1.00 0.00 H new ATOM 545 N GLN A 39 -5.203 10.510 8.372 1.00 0.00 N ATOM 546 CA GLN A 39 -4.572 10.249 7.089 1.00 0.00 C ATOM 547 C GLN A 39 -3.452 9.219 7.248 1.00 0.00 C ATOM 548 O GLN A 39 -3.128 8.817 8.364 1.00 0.00 O ATOM 549 CB GLN A 39 -4.044 11.542 6.465 1.00 0.00 C ATOM 550 CG GLN A 39 -3.415 12.447 7.527 1.00 0.00 C ATOM 551 CD GLN A 39 -3.138 13.842 6.965 1.00 0.00 C ATOM 552 OE1 GLN A 39 -3.911 14.396 6.200 1.00 0.00 O ATOM 553 NE2 GLN A 39 -1.996 14.378 7.385 1.00 0.00 N ATOM 0 H GLN A 39 -4.609 10.337 9.183 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.323 9.839 6.413 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.305 11.305 5.700 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.859 12.070 5.969 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.082 12.523 8.386 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.485 12.004 7.883 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.395 13.860 8.026 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.721 15.307 7.066 1.00 0.00 H new ATOM 562 N LEU A 40 -2.892 8.822 6.115 1.00 0.00 N ATOM 563 CA LEU A 40 -1.815 7.847 6.115 1.00 0.00 C ATOM 564 C LEU A 40 -0.546 8.494 5.556 1.00 0.00 C ATOM 565 O LEU A 40 -0.554 9.026 4.447 1.00 0.00 O ATOM 566 CB LEU A 40 -2.239 6.580 5.368 1.00 0.00 C ATOM 567 CG LEU A 40 -3.506 5.892 5.881 1.00 0.00 C ATOM 568 CD1 LEU A 40 -3.827 4.647 5.052 1.00 0.00 C ATOM 569 CD2 LEU A 40 -3.390 5.573 7.373 1.00 0.00 C ATOM 0 H LEU A 40 -3.164 9.158 5.191 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.589 7.529 7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.386 6.833 4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.418 5.864 5.411 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.342 6.582 5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.732 4.177 5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.981 4.933 4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.997 3.943 5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.303 5.085 7.713 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.541 4.910 7.538 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.243 6.497 7.932 1.00 0.00 H new ATOM 581 N GLU A 41 0.513 8.428 6.350 1.00 0.00 N ATOM 582 CA GLU A 41 1.786 9.001 5.948 1.00 0.00 C ATOM 583 C GLU A 41 2.806 7.892 5.681 1.00 0.00 C ATOM 584 O GLU A 41 2.993 7.003 6.510 1.00 0.00 O ATOM 585 CB GLU A 41 2.303 9.980 7.003 1.00 0.00 C ATOM 586 CG GLU A 41 1.289 11.097 7.259 1.00 0.00 C ATOM 587 CD GLU A 41 0.613 10.922 8.620 1.00 0.00 C ATOM 588 OE1 GLU A 41 -0.430 10.234 8.652 1.00 0.00 O ATOM 589 OE2 GLU A 41 1.155 11.480 9.599 1.00 0.00 O ATOM 0 H GLU A 41 0.515 7.986 7.269 1.00 0.00 H new ATOM 0 HA GLU A 41 1.636 9.560 5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.504 9.446 7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.248 10.411 6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.790 12.064 7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.535 11.096 6.472 1.00 0.00 H new ATOM 596 N ARG A 42 3.441 7.982 4.522 1.00 0.00 N ATOM 597 CA ARG A 42 4.437 6.998 4.136 1.00 0.00 C ATOM 598 C ARG A 42 5.758 7.268 4.860 1.00 0.00 C ATOM 599 O ARG A 42 6.660 7.890 4.303 1.00 0.00 O ATOM 600 CB ARG A 42 4.679 7.022 2.625 1.00 0.00 C ATOM 601 CG ARG A 42 4.463 5.636 2.013 1.00 0.00 C ATOM 602 CD ARG A 42 5.555 4.663 2.461 1.00 0.00 C ATOM 603 NE ARG A 42 6.888 5.205 2.115 1.00 0.00 N ATOM 604 CZ ARG A 42 8.043 4.712 2.582 1.00 0.00 C ATOM 605 NH1 ARG A 42 8.036 3.664 3.417 1.00 0.00 N ATOM 606 NH2 ARG A 42 9.206 5.267 2.214 1.00 0.00 N ATOM 0 H ARG A 42 3.285 8.722 3.837 1.00 0.00 H new ATOM 0 HA ARG A 42 4.058 6.015 4.417 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.005 7.739 2.157 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.695 7.359 2.421 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.486 5.253 2.308 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.461 5.711 0.926 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.488 4.498 3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.411 3.695 1.981 1.00 0.00 H new ATOM 0 HE ARG A 42 6.930 6.003 1.482 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.151 3.241 3.697 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.916 3.289 3.772 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.212 6.065 1.578 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.085 4.892 2.570 1.00 0.00 H new ATOM 620 N HIS A 43 5.829 6.785 6.092 1.00 0.00 N ATOM 621 CA HIS A 43 7.024 6.966 6.899 1.00 0.00 C ATOM 622 C HIS A 43 6.797 6.374 8.291 1.00 0.00 C ATOM 623 O HIS A 43 7.560 5.518 8.737 1.00 0.00 O ATOM 624 CB HIS A 43 7.433 8.440 6.941 1.00 0.00 C ATOM 625 CG HIS A 43 8.903 8.677 6.691 1.00 0.00 C ATOM 626 ND1 HIS A 43 9.415 8.955 5.435 1.00 0.00 N ATOM 627 CD2 HIS A 43 9.965 8.674 7.547 1.00 0.00 C ATOM 628 CE1 HIS A 43 10.726 9.110 5.543 1.00 0.00 C ATOM 629 NE2 HIS A 43 11.065 8.935 6.853 1.00 0.00 N ATOM 0 H HIS A 43 5.079 6.269 6.551 1.00 0.00 H new ATOM 0 HA HIS A 43 7.858 6.430 6.446 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.855 8.988 6.197 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.170 8.852 7.915 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.918 8.490 8.610 1.00 0.00 H new ATOM 0 HE1 HIS A 43 11.407 9.335 4.736 1.00 0.00 H new ATOM 0 HE2 HIS A 43 12.009 8.995 7.236 1.00 0.00 H new ATOM 637 N LYS A 44 5.746 6.854 8.940 1.00 0.00 N ATOM 638 CA LYS A 44 5.410 6.383 10.273 1.00 0.00 C ATOM 639 C LYS A 44 5.323 4.855 10.262 1.00 0.00 C ATOM 640 O LYS A 44 5.597 4.222 9.244 1.00 0.00 O ATOM 641 CB LYS A 44 4.138 7.068 10.778 1.00 0.00 C ATOM 642 CG LYS A 44 4.314 8.587 10.821 1.00 0.00 C ATOM 643 CD LYS A 44 5.445 8.982 11.773 1.00 0.00 C ATOM 644 CE LYS A 44 5.491 10.498 11.970 1.00 0.00 C ATOM 645 NZ LYS A 44 6.860 10.933 12.328 1.00 0.00 N ATOM 0 H LYS A 44 5.116 7.564 8.567 1.00 0.00 H new ATOM 0 HA LYS A 44 6.193 6.653 10.982 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.301 6.814 10.128 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.892 6.698 11.774 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.530 8.960 9.820 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.384 9.055 11.142 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.303 8.491 12.736 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.398 8.634 11.375 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.171 10.999 11.056 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.793 10.790 12.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.874 11.965 12.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.152 10.469 13.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.518 10.672 11.566 1.00 0.00 H new ATOM 659 N LYS A 45 4.942 4.308 11.407 1.00 0.00 N ATOM 660 CA LYS A 45 4.816 2.867 11.542 1.00 0.00 C ATOM 661 C LYS A 45 3.348 2.469 11.369 1.00 0.00 C ATOM 662 O LYS A 45 2.460 3.317 11.435 1.00 0.00 O ATOM 663 CB LYS A 45 5.429 2.397 12.863 1.00 0.00 C ATOM 664 CG LYS A 45 6.957 2.387 12.785 1.00 0.00 C ATOM 665 CD LYS A 45 7.513 0.996 13.093 1.00 0.00 C ATOM 666 CE LYS A 45 8.735 1.084 14.008 1.00 0.00 C ATOM 667 NZ LYS A 45 9.405 -0.232 14.107 1.00 0.00 N ATOM 0 H LYS A 45 4.716 4.837 12.250 1.00 0.00 H new ATOM 0 HA LYS A 45 5.379 2.360 10.758 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.107 3.053 13.671 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.067 1.397 13.101 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.276 2.698 11.790 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.365 3.110 13.491 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.742 0.389 13.568 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.785 0.495 12.164 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.434 1.826 13.621 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.431 1.419 15.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.233 -0.154 14.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.741 -0.931 14.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.713 -0.537 13.162 1.00 0.00 H new ATOM 681 N PHE A 46 3.140 1.179 11.152 1.00 0.00 N ATOM 682 CA PHE A 46 1.795 0.659 10.969 1.00 0.00 C ATOM 683 C PHE A 46 1.686 -0.774 11.493 1.00 0.00 C ATOM 684 O PHE A 46 2.687 -1.375 11.882 1.00 0.00 O ATOM 685 CB PHE A 46 1.515 0.662 9.465 1.00 0.00 C ATOM 686 CG PHE A 46 1.510 2.057 8.836 1.00 0.00 C ATOM 687 CD1 PHE A 46 2.678 2.735 8.676 1.00 0.00 C ATOM 688 CD2 PHE A 46 0.337 2.618 8.436 1.00 0.00 C ATOM 689 CE1 PHE A 46 2.673 4.029 8.092 1.00 0.00 C ATOM 690 CE2 PHE A 46 0.333 3.912 7.852 1.00 0.00 C ATOM 691 CZ PHE A 46 1.501 4.591 7.693 1.00 0.00 C ATOM 0 H PHE A 46 3.879 0.478 11.099 1.00 0.00 H new ATOM 0 HA PHE A 46 1.081 1.273 11.517 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.267 0.052 8.965 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.549 0.190 9.285 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.609 2.289 8.993 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.591 2.079 8.563 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.601 4.567 7.965 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.598 4.358 7.534 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.497 5.576 7.250 1.00 0.00 H new ATOM 701 N LYS A 47 0.462 -1.281 11.487 1.00 0.00 N ATOM 702 CA LYS A 47 0.209 -2.633 11.957 1.00 0.00 C ATOM 703 C LYS A 47 -1.136 -3.115 11.411 1.00 0.00 C ATOM 704 O LYS A 47 -2.060 -2.322 11.237 1.00 0.00 O ATOM 705 CB LYS A 47 0.312 -2.697 13.483 1.00 0.00 C ATOM 706 CG LYS A 47 -0.519 -1.591 14.136 1.00 0.00 C ATOM 707 CD LYS A 47 -0.822 -1.924 15.598 1.00 0.00 C ATOM 708 CE LYS A 47 -1.603 -0.791 16.267 1.00 0.00 C ATOM 709 NZ LYS A 47 -0.760 0.420 16.385 1.00 0.00 N ATOM 0 H LYS A 47 -0.366 -0.780 11.164 1.00 0.00 H new ATOM 0 HA LYS A 47 0.970 -3.316 11.580 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.032 -3.670 13.834 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.355 -2.600 13.785 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.019 -0.645 14.079 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.452 -1.461 13.588 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.397 -2.849 15.653 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.110 -2.096 16.136 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.496 -0.564 15.685 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.938 -1.106 17.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.207 1.092 17.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.179 0.156 16.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.658 0.864 15.450 1.00 0.00 H new ATOM 723 N LEU A 48 -1.203 -4.413 11.154 1.00 0.00 N ATOM 724 CA LEU A 48 -2.420 -5.010 10.630 1.00 0.00 C ATOM 725 C LEU A 48 -3.138 -5.762 11.753 1.00 0.00 C ATOM 726 O LEU A 48 -2.690 -6.827 12.177 1.00 0.00 O ATOM 727 CB LEU A 48 -2.108 -5.879 9.410 1.00 0.00 C ATOM 728 CG LEU A 48 -3.306 -6.566 8.752 1.00 0.00 C ATOM 729 CD1 LEU A 48 -4.121 -5.572 7.923 1.00 0.00 C ATOM 730 CD2 LEU A 48 -2.859 -7.772 7.924 1.00 0.00 C ATOM 0 H LEU A 48 -0.435 -5.068 11.299 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.102 -4.237 10.276 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.615 -5.257 8.662 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.393 -6.646 9.708 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.960 -6.940 9.539 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.967 -6.086 7.466 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.487 -4.774 8.569 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.491 -5.146 7.142 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.730 -8.242 7.467 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.173 -7.443 7.144 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.356 -8.491 8.571 1.00 0.00 H new ATOM 742 N ILE A 49 -4.239 -5.179 12.202 1.00 0.00 N ATOM 743 CA ILE A 49 -5.023 -5.781 13.267 1.00 0.00 C ATOM 744 C ILE A 49 -6.108 -6.670 12.656 1.00 0.00 C ATOM 745 O ILE A 49 -6.942 -6.197 11.884 1.00 0.00 O ATOM 746 CB ILE A 49 -5.569 -4.703 14.205 1.00 0.00 C ATOM 747 CG1 ILE A 49 -4.453 -4.114 15.071 1.00 0.00 C ATOM 748 CG2 ILE A 49 -6.724 -5.244 15.050 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.637 -3.084 14.288 1.00 0.00 C ATOM 0 H ILE A 49 -4.607 -4.296 11.848 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.395 -6.422 13.886 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.968 -3.891 13.597 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.884 -3.645 15.956 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.798 -4.913 15.420 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.093 -4.457 15.708 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.529 -5.577 14.395 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.374 -6.084 15.650 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.851 -2.681 14.927 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.188 -3.561 13.417 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.290 -2.274 13.962 1.00 0.00 H new ATOM 761 N ARG A 50 -6.063 -7.942 13.023 1.00 0.00 N ATOM 762 CA ARG A 50 -7.031 -8.902 12.521 1.00 0.00 C ATOM 763 C ARG A 50 -7.609 -9.725 13.673 1.00 0.00 C ATOM 764 O ARG A 50 -6.906 -10.534 14.277 1.00 0.00 O ATOM 765 CB ARG A 50 -6.393 -9.845 11.499 1.00 0.00 C ATOM 766 CG ARG A 50 -7.452 -10.447 10.573 1.00 0.00 C ATOM 767 CD ARG A 50 -7.130 -11.907 10.248 1.00 0.00 C ATOM 768 NE ARG A 50 -6.584 -12.012 8.877 1.00 0.00 N ATOM 769 CZ ARG A 50 -5.934 -13.086 8.407 1.00 0.00 C ATOM 770 NH1 ARG A 50 -5.745 -14.153 9.196 1.00 0.00 N ATOM 771 NH2 ARG A 50 -5.474 -13.093 7.149 1.00 0.00 N ATOM 0 H ARG A 50 -5.370 -8.331 13.663 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.830 -8.343 12.033 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.655 -9.302 10.909 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.862 -10.643 12.017 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.432 -10.384 11.046 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.505 -9.869 9.651 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.409 -12.297 10.966 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.030 -12.515 10.337 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.710 -11.217 8.250 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.096 -14.148 10.154 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.250 -14.970 8.839 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.618 -12.281 6.549 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.979 -13.910 6.791 1.00 0.00 H new ATOM 785 N ASN A 51 -8.885 -9.492 13.944 1.00 0.00 N ATOM 786 CA ASN A 51 -9.566 -10.202 15.013 1.00 0.00 C ATOM 787 C ASN A 51 -9.354 -9.455 16.332 1.00 0.00 C ATOM 788 O ASN A 51 -10.019 -9.742 17.326 1.00 0.00 O ATOM 789 CB ASN A 51 -9.008 -11.617 15.177 1.00 0.00 C ATOM 790 CG ASN A 51 -10.079 -12.571 15.708 1.00 0.00 C ATOM 791 OD1 ASN A 51 -10.959 -13.019 14.991 1.00 0.00 O ATOM 792 ND2 ASN A 51 -9.957 -12.856 17.002 1.00 0.00 N ATOM 0 H ASN A 51 -9.465 -8.821 13.441 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.625 -10.258 14.759 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.637 -11.979 14.218 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.160 -11.600 15.861 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.624 -13.484 17.451 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.197 -12.447 17.545 1.00 0.00 H new ATOM 799 N GLY A 52 -8.424 -8.511 16.297 1.00 0.00 N ATOM 800 CA GLY A 52 -8.116 -7.721 17.477 1.00 0.00 C ATOM 801 C GLY A 52 -6.610 -7.693 17.740 1.00 0.00 C ATOM 802 O GLY A 52 -6.107 -6.784 18.399 1.00 0.00 O ATOM 0 H GLY A 52 -7.874 -8.276 15.471 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.485 -6.704 17.344 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.632 -8.137 18.342 1.00 0.00 H new ATOM 806 N GLN A 53 -5.930 -8.701 17.213 1.00 0.00 N ATOM 807 CA GLN A 53 -4.491 -8.803 17.382 1.00 0.00 C ATOM 808 C GLN A 53 -3.776 -8.455 16.075 1.00 0.00 C ATOM 809 O GLN A 53 -4.292 -8.724 14.991 1.00 0.00 O ATOM 810 CB GLN A 53 -4.094 -10.198 17.870 1.00 0.00 C ATOM 811 CG GLN A 53 -4.015 -11.185 16.703 1.00 0.00 C ATOM 812 CD GLN A 53 -4.002 -12.630 17.206 1.00 0.00 C ATOM 813 OE1 GLN A 53 -3.128 -13.048 17.947 1.00 0.00 O ATOM 814 NE2 GLN A 53 -5.018 -13.366 16.764 1.00 0.00 N ATOM 0 H GLN A 53 -6.350 -9.454 16.668 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.183 -8.086 18.143 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.130 -10.149 18.376 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.820 -10.552 18.602 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.865 -11.036 16.038 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.115 -10.992 16.119 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.716 -12.953 16.145 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.099 -14.343 17.044 1.00 0.00 H new ATOM 823 N VAL A 54 -2.600 -7.863 16.221 1.00 0.00 N ATOM 824 CA VAL A 54 -1.809 -7.476 15.065 1.00 0.00 C ATOM 825 C VAL A 54 -1.087 -8.705 14.511 1.00 0.00 C ATOM 826 O VAL A 54 -0.718 -9.605 15.265 1.00 0.00 O ATOM 827 CB VAL A 54 -0.854 -6.341 15.441 1.00 0.00 C ATOM 828 CG1 VAL A 54 -1.358 -5.586 16.673 1.00 0.00 C ATOM 829 CG2 VAL A 54 0.564 -6.869 15.664 1.00 0.00 C ATOM 0 H VAL A 54 -2.176 -7.642 17.122 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.453 -7.093 14.273 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.823 -5.639 14.607 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.661 -4.785 16.919 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.340 -5.161 16.463 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.433 -6.273 17.516 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.223 -6.042 15.930 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.557 -7.601 16.471 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.925 -7.340 14.750 1.00 0.00 H new ATOM 839 N ILE A 55 -0.907 -8.705 13.198 1.00 0.00 N ATOM 840 CA ILE A 55 -0.235 -9.810 12.535 1.00 0.00 C ATOM 841 C ILE A 55 1.079 -9.313 11.930 1.00 0.00 C ATOM 842 O ILE A 55 1.944 -10.112 11.574 1.00 0.00 O ATOM 843 CB ILE A 55 -1.168 -10.470 11.518 1.00 0.00 C ATOM 844 CG1 ILE A 55 -2.093 -9.438 10.870 1.00 0.00 C ATOM 845 CG2 ILE A 55 -1.951 -11.619 12.158 1.00 0.00 C ATOM 846 CD1 ILE A 55 -3.375 -9.262 11.687 1.00 0.00 C ATOM 0 H ILE A 55 -1.215 -7.958 12.576 1.00 0.00 H new ATOM 0 HA ILE A 55 0.019 -10.589 13.254 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.558 -10.898 10.723 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.576 -8.482 10.787 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.343 -9.754 9.857 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.607 -12.071 11.414 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.255 -12.370 12.532 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.550 -11.236 12.984 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.015 -8.523 11.205 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.902 -10.214 11.747 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.123 -8.923 12.692 1.00 0.00 H new ATOM 858 N TRP A 56 1.189 -7.996 11.834 1.00 0.00 N ATOM 859 CA TRP A 56 2.384 -7.383 11.279 1.00 0.00 C ATOM 860 C TRP A 56 2.612 -6.053 12.001 1.00 0.00 C ATOM 861 O TRP A 56 1.664 -5.314 12.262 1.00 0.00 O ATOM 862 CB TRP A 56 2.265 -7.226 9.761 1.00 0.00 C ATOM 863 CG TRP A 56 3.388 -6.398 9.132 1.00 0.00 C ATOM 864 CD1 TRP A 56 4.529 -6.837 8.584 1.00 0.00 C ATOM 865 CD2 TRP A 56 3.429 -4.961 9.006 1.00 0.00 C ATOM 866 NE1 TRP A 56 5.300 -5.793 8.117 1.00 0.00 N ATOM 867 CE2 TRP A 56 4.610 -4.616 8.382 1.00 0.00 C ATOM 868 CE3 TRP A 56 2.499 -3.986 9.406 1.00 0.00 C ATOM 869 CZ2 TRP A 56 4.970 -3.292 8.102 1.00 0.00 C ATOM 870 CZ3 TRP A 56 2.874 -2.668 9.120 1.00 0.00 C ATOM 871 CH2 TRP A 56 4.059 -2.303 8.492 1.00 0.00 C ATOM 0 H TRP A 56 0.470 -7.336 12.131 1.00 0.00 H new ATOM 0 HA TRP A 56 3.254 -8.020 11.439 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.256 -8.215 9.303 1.00 0.00 H new ATOM 0 HB3 TRP A 56 1.308 -6.758 9.528 1.00 0.00 H new ATOM 0 HD1 TRP A 56 4.810 -7.878 8.516 1.00 0.00 H new ATOM 0 HE1 TRP A 56 6.209 -5.870 7.661 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.569 -4.234 9.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.900 -3.047 7.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 2.195 -1.879 9.408 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.276 -1.262 8.306 1.00 0.00 H new ATOM 882 N LYS A 57 3.875 -5.790 12.303 1.00 0.00 N ATOM 883 CA LYS A 57 4.240 -4.563 12.990 1.00 0.00 C ATOM 884 C LYS A 57 5.467 -3.950 12.313 1.00 0.00 C ATOM 885 O LYS A 57 6.450 -4.644 12.056 1.00 0.00 O ATOM 886 CB LYS A 57 4.427 -4.821 14.486 1.00 0.00 C ATOM 887 CG LYS A 57 5.348 -6.020 14.724 1.00 0.00 C ATOM 888 CD LYS A 57 4.558 -7.224 15.242 1.00 0.00 C ATOM 889 CE LYS A 57 5.387 -8.037 16.238 1.00 0.00 C ATOM 890 NZ LYS A 57 6.242 -9.012 15.525 1.00 0.00 N ATOM 0 H LYS A 57 4.658 -6.406 12.084 1.00 0.00 H new ATOM 0 HA LYS A 57 3.436 -3.831 12.915 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.847 -3.935 14.962 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.458 -5.004 14.951 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.854 -6.285 13.795 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.122 -5.752 15.443 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.640 -6.882 15.721 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.264 -7.858 14.405 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.007 -7.369 16.835 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.726 -8.561 16.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.798 -9.556 16.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.644 -9.661 14.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.885 -8.506 14.884 1.00 0.00 H new ATOM 904 N GLY A 58 5.371 -2.656 12.043 1.00 0.00 N ATOM 905 CA GLY A 58 6.461 -1.943 11.401 1.00 0.00 C ATOM 906 C GLY A 58 5.930 -0.924 10.390 1.00 0.00 C ATOM 907 O GLY A 58 4.746 -0.592 10.402 1.00 0.00 O ATOM 0 H GLY A 58 4.555 -2.083 12.258 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.061 -1.434 12.155 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.117 -2.652 10.897 1.00 0.00 H new ATOM 911 N SER A 59 6.832 -0.457 9.539 1.00 0.00 N ATOM 912 CA SER A 59 6.469 0.517 8.524 1.00 0.00 C ATOM 913 C SER A 59 6.278 -0.179 7.175 1.00 0.00 C ATOM 914 O SER A 59 6.894 -1.211 6.913 1.00 0.00 O ATOM 915 CB SER A 59 7.529 1.615 8.410 1.00 0.00 C ATOM 916 OG SER A 59 8.163 1.876 9.659 1.00 0.00 O ATOM 0 H SER A 59 7.813 -0.735 9.532 1.00 0.00 H new ATOM 0 HA SER A 59 5.530 0.985 8.820 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.280 1.320 7.677 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.065 2.530 8.041 1.00 0.00 H new ATOM 0 HG SER A 59 8.834 2.581 9.544 1.00 0.00 H new ATOM 922 N LEU A 60 5.423 0.413 6.355 1.00 0.00 N ATOM 923 CA LEU A 60 5.143 -0.138 5.040 1.00 0.00 C ATOM 924 C LEU A 60 6.391 -0.012 4.164 1.00 0.00 C ATOM 925 O LEU A 60 7.337 0.688 4.521 1.00 0.00 O ATOM 926 CB LEU A 60 3.900 0.519 4.437 1.00 0.00 C ATOM 927 CG LEU A 60 2.706 0.687 5.380 1.00 0.00 C ATOM 928 CD1 LEU A 60 2.019 2.036 5.160 1.00 0.00 C ATOM 929 CD2 LEU A 60 1.729 -0.483 5.240 1.00 0.00 C ATOM 0 H LEU A 60 4.915 1.269 6.576 1.00 0.00 H new ATOM 0 HA LEU A 60 4.909 -1.200 5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.180 1.502 4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.580 -0.073 3.580 1.00 0.00 H new ATOM 0 HG LEU A 60 3.076 0.678 6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.174 2.130 5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.729 2.841 5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.663 2.100 4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.890 -0.340 5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.361 -0.529 4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.239 -1.415 5.485 1.00 0.00 H new ATOM 941 N THR A 61 6.353 -0.701 3.033 1.00 0.00 N ATOM 942 CA THR A 61 7.469 -0.676 2.103 1.00 0.00 C ATOM 943 C THR A 61 7.136 0.204 0.895 1.00 0.00 C ATOM 944 O THR A 61 8.034 0.654 0.185 1.00 0.00 O ATOM 945 CB THR A 61 7.805 -2.120 1.728 1.00 0.00 C ATOM 946 OG1 THR A 61 6.549 -2.685 1.361 1.00 0.00 O ATOM 947 CG2 THR A 61 8.249 -2.950 2.935 1.00 0.00 C ATOM 0 H THR A 61 5.566 -1.280 2.740 1.00 0.00 H new ATOM 0 HA THR A 61 8.353 -0.230 2.558 1.00 0.00 H new ATOM 0 HB THR A 61 8.592 -2.125 0.974 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.675 -3.622 1.102 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.475 -3.967 2.614 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.139 -2.502 3.377 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.449 -2.973 3.675 1.00 0.00 H new ATOM 955 N SER A 62 5.844 0.422 0.700 1.00 0.00 N ATOM 956 CA SER A 62 5.383 1.239 -0.409 1.00 0.00 C ATOM 957 C SER A 62 3.947 1.703 -0.155 1.00 0.00 C ATOM 958 O SER A 62 3.290 1.224 0.769 1.00 0.00 O ATOM 959 CB SER A 62 5.467 0.473 -1.730 1.00 0.00 C ATOM 960 OG SER A 62 6.759 -0.092 -1.938 1.00 0.00 O ATOM 0 H SER A 62 5.102 0.047 1.291 1.00 0.00 H new ATOM 0 HA SER A 62 6.032 2.111 -0.484 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.719 -0.320 -1.738 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.228 1.145 -2.554 1.00 0.00 H new ATOM 0 HG SER A 62 7.424 0.415 -1.427 1.00 0.00 H new ATOM 966 N LEU A 63 3.501 2.629 -0.991 1.00 0.00 N ATOM 967 CA LEU A 63 2.155 3.162 -0.869 1.00 0.00 C ATOM 968 C LEU A 63 1.830 4.002 -2.106 1.00 0.00 C ATOM 969 O LEU A 63 2.540 4.957 -2.416 1.00 0.00 O ATOM 970 CB LEU A 63 1.997 3.922 0.449 1.00 0.00 C ATOM 971 CG LEU A 63 0.683 4.683 0.632 1.00 0.00 C ATOM 972 CD1 LEU A 63 -0.420 3.758 1.150 1.00 0.00 C ATOM 973 CD2 LEU A 63 0.877 5.904 1.533 1.00 0.00 C ATOM 0 H LEU A 63 4.048 3.024 -1.756 1.00 0.00 H new ATOM 0 HA LEU A 63 1.426 2.352 -0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.099 3.212 1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.820 4.631 0.537 1.00 0.00 H new ATOM 0 HG LEU A 63 0.363 5.050 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.343 4.325 1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.581 2.950 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.122 3.340 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.073 6.427 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.233 5.581 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.609 6.575 1.084 1.00 0.00 H new ATOM 985 N LYS A 64 0.755 3.616 -2.778 1.00 0.00 N ATOM 986 CA LYS A 64 0.327 4.322 -3.974 1.00 0.00 C ATOM 987 C LYS A 64 -1.178 4.585 -3.894 1.00 0.00 C ATOM 988 O LYS A 64 -1.917 3.804 -3.297 1.00 0.00 O ATOM 989 CB LYS A 64 0.752 3.556 -5.229 1.00 0.00 C ATOM 990 CG LYS A 64 2.235 3.182 -5.167 1.00 0.00 C ATOM 991 CD LYS A 64 2.812 2.996 -6.572 1.00 0.00 C ATOM 992 CE LYS A 64 3.756 1.793 -6.621 1.00 0.00 C ATOM 993 NZ LYS A 64 3.228 0.757 -7.536 1.00 0.00 N ATOM 0 H LYS A 64 0.168 2.824 -2.517 1.00 0.00 H new ATOM 0 HA LYS A 64 0.818 5.293 -4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.149 2.653 -5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.564 4.166 -6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.789 3.961 -4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.358 2.263 -4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.001 2.856 -7.287 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.348 3.896 -6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.744 2.112 -6.954 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.876 1.376 -5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.881 -0.052 -7.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.295 0.441 -7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.136 1.153 -8.493 1.00 0.00 H new ATOM 1007 N HIS A 65 -1.587 5.687 -4.505 1.00 0.00 N ATOM 1008 CA HIS A 65 -2.990 6.063 -4.511 1.00 0.00 C ATOM 1009 C HIS A 65 -3.546 5.948 -5.932 1.00 0.00 C ATOM 1010 O HIS A 65 -4.141 6.893 -6.448 1.00 0.00 O ATOM 1011 CB HIS A 65 -3.182 7.457 -3.910 1.00 0.00 C ATOM 1012 CG HIS A 65 -4.550 8.048 -4.154 1.00 0.00 C ATOM 1013 ND1 HIS A 65 -5.718 7.426 -3.749 1.00 0.00 N ATOM 1014 CD2 HIS A 65 -4.923 9.209 -4.764 1.00 0.00 C ATOM 1015 CE1 HIS A 65 -6.742 8.188 -4.105 1.00 0.00 C ATOM 1016 NE2 HIS A 65 -6.248 9.292 -4.734 1.00 0.00 N ATOM 0 H HIS A 65 -0.971 6.332 -5.000 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.556 5.378 -3.880 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.006 7.406 -2.836 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.429 8.127 -4.325 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.780 6.533 -3.260 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.254 9.938 -5.198 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.785 7.972 -3.928 1.00 0.00 H new ATOM 1075 N ASP A 69 2.210 8.249 -7.113 1.00 0.00 N ATOM 1076 CA ASP A 69 3.106 8.017 -5.993 1.00 0.00 C ATOM 1077 C ASP A 69 2.922 9.130 -4.959 1.00 0.00 C ATOM 1078 O ASP A 69 3.685 10.095 -4.939 1.00 0.00 O ATOM 1079 CB ASP A 69 4.568 8.029 -6.445 1.00 0.00 C ATOM 1080 CG ASP A 69 4.826 7.394 -7.813 1.00 0.00 C ATOM 1081 OD1 ASP A 69 4.668 6.158 -7.904 1.00 0.00 O ATOM 1082 OD2 ASP A 69 5.176 8.160 -8.737 1.00 0.00 O ATOM 0 HA ASP A 69 2.868 7.042 -5.568 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.917 9.061 -6.468 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.168 7.507 -5.700 1.00 0.00 H new ATOM 1087 N ILE A 70 1.906 8.959 -4.127 1.00 0.00 N ATOM 1088 CA ILE A 70 1.612 9.937 -3.093 1.00 0.00 C ATOM 1089 C ILE A 70 2.364 9.562 -1.814 1.00 0.00 C ATOM 1090 O ILE A 70 2.919 8.469 -1.714 1.00 0.00 O ATOM 1091 CB ILE A 70 0.101 10.075 -2.900 1.00 0.00 C ATOM 1092 CG1 ILE A 70 -0.236 11.324 -2.083 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -0.491 8.808 -2.280 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -1.644 11.828 -2.406 1.00 0.00 C ATOM 0 H ILE A 70 1.275 8.158 -4.147 1.00 0.00 H new ATOM 0 HA ILE A 70 1.963 10.925 -3.392 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.358 10.198 -3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.162 11.098 -1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.492 12.108 -2.294 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.566 8.933 -2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.299 7.958 -2.935 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.030 8.629 -1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.858 12.716 -1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.707 12.076 -3.465 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.371 11.051 -2.171 1.00 0.00 H new ATOM 1106 N SER A 71 2.358 10.490 -0.868 1.00 0.00 N ATOM 1107 CA SER A 71 3.032 10.271 0.400 1.00 0.00 C ATOM 1108 C SER A 71 2.018 10.311 1.545 1.00 0.00 C ATOM 1109 O SER A 71 2.104 9.519 2.482 1.00 0.00 O ATOM 1110 CB SER A 71 4.130 11.312 0.627 1.00 0.00 C ATOM 1111 OG SER A 71 5.384 10.888 0.101 1.00 0.00 O ATOM 0 H SER A 71 1.897 11.396 -0.955 1.00 0.00 H new ATOM 0 HA SER A 71 3.501 9.288 0.373 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.840 12.253 0.159 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.231 11.505 1.695 1.00 0.00 H new ATOM 0 HG SER A 71 6.058 11.580 0.264 1.00 0.00 H new ATOM 1117 N VAL A 72 1.081 11.241 1.432 1.00 0.00 N ATOM 1118 CA VAL A 72 0.052 11.394 2.446 1.00 0.00 C ATOM 1119 C VAL A 72 -1.316 11.106 1.826 1.00 0.00 C ATOM 1120 O VAL A 72 -1.617 11.578 0.730 1.00 0.00 O ATOM 1121 CB VAL A 72 0.142 12.785 3.076 1.00 0.00 C ATOM 1122 CG1 VAL A 72 -1.196 13.194 3.696 1.00 0.00 C ATOM 1123 CG2 VAL A 72 1.267 12.847 4.111 1.00 0.00 C ATOM 0 H VAL A 72 1.013 11.896 0.653 1.00 0.00 H new ATOM 0 HA VAL A 72 0.201 10.676 3.252 1.00 0.00 H new ATOM 0 HB VAL A 72 0.376 13.496 2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.104 14.187 4.137 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.965 13.209 2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.473 12.478 4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.309 13.847 4.543 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.077 12.118 4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.218 12.620 3.629 1.00 0.00 H new ATOM 1133 N ILE A 73 -2.109 10.333 2.553 1.00 0.00 N ATOM 1134 CA ILE A 73 -3.439 9.976 2.087 1.00 0.00 C ATOM 1135 C ILE A 73 -4.484 10.620 3.001 1.00 0.00 C ATOM 1136 O ILE A 73 -4.550 10.309 4.189 1.00 0.00 O ATOM 1137 CB ILE A 73 -3.576 8.457 1.971 1.00 0.00 C ATOM 1138 CG1 ILE A 73 -2.473 7.873 1.085 1.00 0.00 C ATOM 1139 CG2 ILE A 73 -4.972 8.069 1.479 1.00 0.00 C ATOM 1140 CD1 ILE A 73 -2.699 8.237 -0.384 1.00 0.00 C ATOM 0 H ILE A 73 -1.857 9.944 3.461 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.609 10.366 1.083 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.453 8.026 2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.503 8.248 1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.449 6.789 1.195 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.043 6.984 1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.720 8.435 2.182 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.148 8.512 0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.901 7.810 -0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.659 7.840 -0.714 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.698 9.321 -0.494 1.00 0.00 H new ATOM 1152 N LYS A 74 -5.274 11.505 2.412 1.00 0.00 N ATOM 1153 CA LYS A 74 -6.313 12.195 3.158 1.00 0.00 C ATOM 1154 C LYS A 74 -7.459 11.223 3.445 1.00 0.00 C ATOM 1155 O LYS A 74 -7.366 10.037 3.132 1.00 0.00 O ATOM 1156 CB LYS A 74 -6.751 13.462 2.420 1.00 0.00 C ATOM 1157 CG LYS A 74 -5.553 14.368 2.128 1.00 0.00 C ATOM 1158 CD LYS A 74 -5.900 15.409 1.061 1.00 0.00 C ATOM 1159 CE LYS A 74 -4.635 16.054 0.493 1.00 0.00 C ATOM 1160 NZ LYS A 74 -4.669 17.521 0.688 1.00 0.00 N ATOM 0 H LYS A 74 -5.216 11.761 1.426 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.931 12.532 4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.243 13.191 1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.483 14.003 3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.241 14.870 3.044 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.710 13.765 1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.464 14.937 0.257 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.542 16.177 1.492 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.755 15.636 0.983 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.548 15.824 -0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.803 17.943 0.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.498 17.917 0.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.730 17.735 1.704 1.00 0.00 H new ATOM 1174 N THR A 75 -8.514 11.762 4.039 1.00 0.00 N ATOM 1175 CA THR A 75 -9.677 10.957 4.372 1.00 0.00 C ATOM 1176 C THR A 75 -10.541 10.728 3.130 1.00 0.00 C ATOM 1177 O THR A 75 -10.661 11.610 2.281 1.00 0.00 O ATOM 1178 CB THR A 75 -10.424 11.655 5.511 1.00 0.00 C ATOM 1179 OG1 THR A 75 -9.506 11.621 6.600 1.00 0.00 O ATOM 1180 CG2 THR A 75 -11.623 10.845 6.008 1.00 0.00 C ATOM 0 H THR A 75 -8.588 12.746 4.298 1.00 0.00 H new ATOM 0 HA THR A 75 -9.386 9.964 4.714 1.00 0.00 H new ATOM 0 HB THR A 75 -10.763 12.635 5.176 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.673 11.193 6.312 1.00 0.00 H new ATOM 0 HG21 THR A 75 -12.117 11.385 6.816 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.326 10.695 5.188 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.281 9.877 6.375 1.00 0.00 H new ATOM 1188 N GLY A 76 -11.119 9.538 3.063 1.00 0.00 N ATOM 1189 CA GLY A 76 -11.968 9.181 1.939 1.00 0.00 C ATOM 1190 C GLY A 76 -11.129 8.839 0.705 1.00 0.00 C ATOM 1191 O GLY A 76 -11.657 8.744 -0.402 1.00 0.00 O ATOM 0 H GLY A 76 -11.016 8.809 3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.592 8.328 2.206 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.640 10.008 1.709 1.00 0.00 H new ATOM 1195 N MET A 77 -9.837 8.664 0.938 1.00 0.00 N ATOM 1196 CA MET A 77 -8.920 8.334 -0.140 1.00 0.00 C ATOM 1197 C MET A 77 -8.489 6.868 -0.065 1.00 0.00 C ATOM 1198 O MET A 77 -8.031 6.404 0.978 1.00 0.00 O ATOM 1199 CB MET A 77 -7.686 9.234 -0.054 1.00 0.00 C ATOM 1200 CG MET A 77 -7.957 10.599 -0.690 1.00 0.00 C ATOM 1201 SD MET A 77 -7.041 10.755 -2.214 1.00 0.00 S ATOM 1202 CE MET A 77 -5.389 10.436 -1.616 1.00 0.00 C ATOM 0 H MET A 77 -9.403 8.744 1.858 1.00 0.00 H new ATOM 0 HA MET A 77 -9.432 8.494 -1.089 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.400 9.366 0.989 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.846 8.755 -0.557 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.023 10.714 -0.884 1.00 0.00 H new ATOM 0 HG3 MET A 77 -7.671 11.394 -0.001 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.674 11.021 -2.194 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.322 10.716 -0.565 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.161 9.375 -1.724 1.00 0.00 H new ATOM 1212 N ASP A 78 -8.652 6.179 -1.185 1.00 0.00 N ATOM 1213 CA ASP A 78 -8.286 4.775 -1.259 1.00 0.00 C ATOM 1214 C ASP A 78 -6.819 4.656 -1.680 1.00 0.00 C ATOM 1215 O ASP A 78 -6.401 5.266 -2.662 1.00 0.00 O ATOM 1216 CB ASP A 78 -9.136 4.038 -2.296 1.00 0.00 C ATOM 1217 CG ASP A 78 -10.569 4.554 -2.443 1.00 0.00 C ATOM 1218 OD1 ASP A 78 -10.711 5.773 -2.679 1.00 0.00 O ATOM 1219 OD2 ASP A 78 -11.489 3.718 -2.315 1.00 0.00 O ATOM 0 H ASP A 78 -9.032 6.567 -2.048 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.450 4.332 -0.277 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.640 4.106 -3.264 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.172 2.982 -2.030 1.00 0.00 H new ATOM 1224 N CYS A 79 -6.080 3.867 -0.915 1.00 0.00 N ATOM 1225 CA CYS A 79 -4.669 3.661 -1.195 1.00 0.00 C ATOM 1226 C CYS A 79 -4.320 2.209 -0.862 1.00 0.00 C ATOM 1227 O CYS A 79 -5.010 1.567 -0.072 1.00 0.00 O ATOM 1228 CB CYS A 79 -3.789 4.650 -0.429 1.00 0.00 C ATOM 1229 SG CYS A 79 -4.165 4.565 1.360 1.00 0.00 S ATOM 0 H CYS A 79 -6.431 3.362 -0.101 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.475 3.847 -2.251 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.737 4.421 -0.599 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.959 5.662 -0.797 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.401 3.676 1.922 1.00 0.00 H new ATOM 1235 N GLY A 80 -3.249 1.734 -1.481 1.00 0.00 N ATOM 1236 CA GLY A 80 -2.801 0.370 -1.260 1.00 0.00 C ATOM 1237 C GLY A 80 -1.415 0.347 -0.611 1.00 0.00 C ATOM 1238 O GLY A 80 -0.496 1.017 -1.078 1.00 0.00 O ATOM 0 H GLY A 80 -2.679 2.270 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.514 -0.152 -0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.771 -0.165 -2.209 1.00 0.00 H new ATOM 1242 N LEU A 81 -1.309 -0.432 0.456 1.00 0.00 N ATOM 1243 CA LEU A 81 -0.052 -0.551 1.174 1.00 0.00 C ATOM 1244 C LEU A 81 0.381 -2.018 1.196 1.00 0.00 C ATOM 1245 O LEU A 81 -0.458 -2.917 1.159 1.00 0.00 O ATOM 1246 CB LEU A 81 -0.167 0.077 2.564 1.00 0.00 C ATOM 1247 CG LEU A 81 -1.260 -0.494 3.470 1.00 0.00 C ATOM 1248 CD1 LEU A 81 -0.823 -1.825 4.084 1.00 0.00 C ATOM 1249 CD2 LEU A 81 -1.674 0.522 4.537 1.00 0.00 C ATOM 0 H LEU A 81 -2.074 -0.987 0.840 1.00 0.00 H new ATOM 0 HA LEU A 81 0.733 0.006 0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.792 -0.033 3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.344 1.146 2.444 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.140 -0.695 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.618 -2.209 4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.618 -2.542 3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.079 -1.673 4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.452 0.091 5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.810 0.778 5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.055 1.422 4.054 1.00 0.00 H new ATOM 1261 N SER A 82 1.690 -2.215 1.255 1.00 0.00 N ATOM 1262 CA SER A 82 2.244 -3.558 1.283 1.00 0.00 C ATOM 1263 C SER A 82 3.257 -3.684 2.423 1.00 0.00 C ATOM 1264 O SER A 82 4.096 -2.804 2.612 1.00 0.00 O ATOM 1265 CB SER A 82 2.902 -3.910 -0.053 1.00 0.00 C ATOM 1266 OG SER A 82 3.556 -2.787 -0.638 1.00 0.00 O ATOM 0 H SER A 82 2.383 -1.467 1.284 1.00 0.00 H new ATOM 0 HA SER A 82 1.428 -4.261 1.452 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.625 -4.712 0.099 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.146 -4.288 -0.741 1.00 0.00 H new ATOM 0 HG SER A 82 3.965 -3.053 -1.488 1.00 0.00 H new ATOM 1272 N LEU A 83 3.144 -4.783 3.154 1.00 0.00 N ATOM 1273 CA LEU A 83 4.040 -5.034 4.270 1.00 0.00 C ATOM 1274 C LEU A 83 5.306 -5.724 3.758 1.00 0.00 C ATOM 1275 O LEU A 83 5.328 -6.239 2.641 1.00 0.00 O ATOM 1276 CB LEU A 83 3.318 -5.814 5.371 1.00 0.00 C ATOM 1277 CG LEU A 83 1.922 -5.311 5.744 1.00 0.00 C ATOM 1278 CD1 LEU A 83 1.165 -6.354 6.568 1.00 0.00 C ATOM 1279 CD2 LEU A 83 1.999 -3.961 6.460 1.00 0.00 C ATOM 0 H LEU A 83 2.446 -5.510 2.995 1.00 0.00 H new ATOM 0 HA LEU A 83 4.351 -4.095 4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.236 -6.855 5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.939 -5.799 6.267 1.00 0.00 H new ATOM 0 HG LEU A 83 1.358 -5.156 4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.176 -5.971 6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.062 -7.271 5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.717 -6.564 7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.993 -3.626 6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.588 -4.066 7.371 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.471 -3.228 5.805 1.00 0.00 H new ATOM 1291 N ASP A 84 6.330 -5.711 4.598 1.00 0.00 N ATOM 1292 CA ASP A 84 7.597 -6.329 4.244 1.00 0.00 C ATOM 1293 C ASP A 84 7.597 -7.785 4.711 1.00 0.00 C ATOM 1294 O ASP A 84 8.599 -8.274 5.231 1.00 0.00 O ATOM 1295 CB ASP A 84 8.766 -5.614 4.923 1.00 0.00 C ATOM 1296 CG ASP A 84 8.500 -5.158 6.359 1.00 0.00 C ATOM 1297 OD1 ASP A 84 7.562 -5.717 6.967 1.00 0.00 O ATOM 1298 OD2 ASP A 84 9.240 -4.260 6.816 1.00 0.00 O ATOM 0 H ASP A 84 6.309 -5.282 5.523 1.00 0.00 H new ATOM 0 HA ASP A 84 7.714 -6.264 3.162 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.629 -6.280 4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.036 -4.743 4.326 1.00 0.00 H new ATOM 1303 N GLU A 85 6.462 -8.438 4.510 1.00 0.00 N ATOM 1304 CA GLU A 85 6.319 -9.830 4.904 1.00 0.00 C ATOM 1305 C GLU A 85 5.160 -10.480 4.145 1.00 0.00 C ATOM 1306 O GLU A 85 4.060 -9.932 4.096 1.00 0.00 O ATOM 1307 CB GLU A 85 6.122 -9.954 6.416 1.00 0.00 C ATOM 1308 CG GLU A 85 6.222 -11.413 6.864 1.00 0.00 C ATOM 1309 CD GLU A 85 7.681 -11.868 6.929 1.00 0.00 C ATOM 1310 OE1 GLU A 85 8.352 -11.773 5.879 1.00 0.00 O ATOM 1311 OE2 GLU A 85 8.093 -12.301 8.027 1.00 0.00 O ATOM 0 H GLU A 85 5.633 -8.029 4.079 1.00 0.00 H new ATOM 0 HA GLU A 85 7.238 -10.357 4.646 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.874 -9.358 6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.148 -9.550 6.694 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.757 -11.529 7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.670 -12.048 6.172 1.00 0.00 H new ATOM 1318 N GLU A 86 5.447 -11.639 3.571 1.00 0.00 N ATOM 1319 CA GLU A 86 4.443 -12.370 2.817 1.00 0.00 C ATOM 1320 C GLU A 86 3.574 -13.205 3.760 1.00 0.00 C ATOM 1321 O GLU A 86 2.383 -13.390 3.512 1.00 0.00 O ATOM 1322 CB GLU A 86 5.093 -13.249 1.747 1.00 0.00 C ATOM 1323 CG GLU A 86 6.226 -14.088 2.341 1.00 0.00 C ATOM 1324 CD GLU A 86 6.132 -15.543 1.879 1.00 0.00 C ATOM 1325 OE1 GLU A 86 6.568 -15.806 0.738 1.00 0.00 O ATOM 1326 OE2 GLU A 86 5.625 -16.360 2.678 1.00 0.00 O ATOM 0 H GLU A 86 6.361 -12.090 3.613 1.00 0.00 H new ATOM 0 HA GLU A 86 3.803 -11.649 2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.343 -13.905 1.305 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.482 -12.623 0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.187 -13.670 2.043 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.183 -14.045 3.429 1.00 0.00 H new ATOM 1333 N LYS A 87 4.204 -13.687 4.821 1.00 0.00 N ATOM 1334 CA LYS A 87 3.503 -14.498 5.802 1.00 0.00 C ATOM 1335 C LYS A 87 2.193 -13.808 6.187 1.00 0.00 C ATOM 1336 O LYS A 87 1.144 -14.448 6.244 1.00 0.00 O ATOM 1337 CB LYS A 87 4.412 -14.800 6.996 1.00 0.00 C ATOM 1338 CG LYS A 87 5.272 -16.037 6.731 1.00 0.00 C ATOM 1339 CD LYS A 87 5.355 -16.924 7.975 1.00 0.00 C ATOM 1340 CE LYS A 87 5.802 -18.341 7.610 1.00 0.00 C ATOM 1341 NZ LYS A 87 5.575 -19.265 8.743 1.00 0.00 N ATOM 0 H LYS A 87 5.192 -13.532 5.023 1.00 0.00 H new ATOM 0 HA LYS A 87 3.241 -15.467 5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.054 -13.942 7.195 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.806 -14.958 7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.851 -16.606 5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.274 -15.730 6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.055 -16.491 8.689 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.382 -16.961 8.465 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.252 -18.688 6.735 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.859 -18.338 7.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.884 -20.222 8.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.119 -18.942 9.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.563 -19.281 8.980 1.00 0.00 H new ATOM 1355 N VAL A 88 2.296 -12.512 6.440 1.00 0.00 N ATOM 1356 CA VAL A 88 1.133 -11.728 6.817 1.00 0.00 C ATOM 1357 C VAL A 88 0.147 -11.691 5.648 1.00 0.00 C ATOM 1358 O VAL A 88 0.555 -11.648 4.488 1.00 0.00 O ATOM 1359 CB VAL A 88 1.567 -10.334 7.277 1.00 0.00 C ATOM 1360 CG1 VAL A 88 2.175 -9.540 6.119 1.00 0.00 C ATOM 1361 CG2 VAL A 88 0.397 -9.576 7.908 1.00 0.00 C ATOM 0 H VAL A 88 3.168 -11.985 6.391 1.00 0.00 H new ATOM 0 HA VAL A 88 0.620 -12.189 7.661 1.00 0.00 H new ATOM 0 HB VAL A 88 2.336 -10.456 8.039 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.475 -8.553 6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.047 -10.068 5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.436 -9.432 5.325 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.732 -8.589 8.226 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.404 -9.469 7.177 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.028 -10.130 8.771 1.00 0.00 H new ATOM 1371 N GLU A 89 -1.132 -11.711 5.993 1.00 0.00 N ATOM 1372 CA GLU A 89 -2.179 -11.681 4.986 1.00 0.00 C ATOM 1373 C GLU A 89 -3.344 -10.808 5.458 1.00 0.00 C ATOM 1374 O GLU A 89 -3.928 -11.061 6.511 1.00 0.00 O ATOM 1375 CB GLU A 89 -2.656 -13.095 4.648 1.00 0.00 C ATOM 1376 CG GLU A 89 -1.855 -13.679 3.482 1.00 0.00 C ATOM 1377 CD GLU A 89 -1.911 -15.208 3.491 1.00 0.00 C ATOM 1378 OE1 GLU A 89 -1.336 -15.792 4.435 1.00 0.00 O ATOM 1379 OE2 GLU A 89 -2.527 -15.758 2.552 1.00 0.00 O ATOM 0 H GLU A 89 -1.467 -11.748 6.956 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.768 -11.244 4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.552 -13.737 5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.715 -13.074 4.392 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.251 -13.302 2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.818 -13.349 3.547 1.00 0.00 H new ATOM 1386 N PHE A 90 -3.648 -9.798 4.656 1.00 0.00 N ATOM 1387 CA PHE A 90 -4.733 -8.886 4.978 1.00 0.00 C ATOM 1388 C PHE A 90 -6.092 -9.532 4.701 1.00 0.00 C ATOM 1389 O PHE A 90 -6.161 -10.688 4.286 1.00 0.00 O ATOM 1390 CB PHE A 90 -4.570 -7.661 4.076 1.00 0.00 C ATOM 1391 CG PHE A 90 -3.116 -7.239 3.856 1.00 0.00 C ATOM 1392 CD1 PHE A 90 -2.508 -6.406 4.743 1.00 0.00 C ATOM 1393 CD2 PHE A 90 -2.431 -7.697 2.774 1.00 0.00 C ATOM 1394 CE1 PHE A 90 -1.159 -6.014 4.539 1.00 0.00 C ATOM 1395 CE2 PHE A 90 -1.082 -7.305 2.570 1.00 0.00 C ATOM 1396 CZ PHE A 90 -0.474 -6.472 3.456 1.00 0.00 C ATOM 0 H PHE A 90 -3.162 -9.591 3.784 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.695 -8.621 6.035 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.027 -7.871 3.109 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -5.118 -6.826 4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.052 -6.043 5.603 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.913 -8.359 2.070 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.676 -5.352 5.243 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.538 -7.669 1.711 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.552 -6.174 3.300 1.00 0.00 H new ATOM 1406 N LYS A 91 -7.139 -8.757 4.943 1.00 0.00 N ATOM 1407 CA LYS A 91 -8.493 -9.239 4.725 1.00 0.00 C ATOM 1408 C LYS A 91 -9.476 -8.079 4.894 1.00 0.00 C ATOM 1409 O LYS A 91 -9.177 -7.102 5.579 1.00 0.00 O ATOM 1410 CB LYS A 91 -8.789 -10.434 5.633 1.00 0.00 C ATOM 1411 CG LYS A 91 -8.444 -11.751 4.937 1.00 0.00 C ATOM 1412 CD LYS A 91 -9.585 -12.761 5.076 1.00 0.00 C ATOM 1413 CE LYS A 91 -9.826 -13.501 3.759 1.00 0.00 C ATOM 1414 NZ LYS A 91 -9.369 -14.904 3.861 1.00 0.00 N ATOM 0 H LYS A 91 -7.077 -7.799 5.288 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.607 -9.607 3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.215 -10.345 6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.843 -10.431 5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.243 -11.567 3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.532 -12.166 5.367 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.347 -13.478 5.862 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.496 -12.246 5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.887 -13.475 3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.296 -12.998 2.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.540 -15.391 2.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.352 -14.923 4.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.893 -15.386 4.619 1.00 0.00 H new ATOM 1428 N PRO A 92 -10.659 -8.229 4.242 1.00 0.00 N ATOM 1429 CA PRO A 92 -11.688 -7.205 4.313 1.00 0.00 C ATOM 1430 C PRO A 92 -12.394 -7.231 5.671 1.00 0.00 C ATOM 1431 O PRO A 92 -13.618 -7.337 5.737 1.00 0.00 O ATOM 1432 CB PRO A 92 -12.623 -7.505 3.153 1.00 0.00 C ATOM 1433 CG PRO A 92 -12.348 -8.947 2.758 1.00 0.00 C ATOM 1434 CD PRO A 92 -11.048 -9.372 3.421 1.00 0.00 C ATOM 0 HA PRO A 92 -11.284 -6.196 4.231 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -13.664 -7.372 3.446 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.438 -6.829 2.318 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -13.167 -9.592 3.075 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -12.272 -9.038 1.675 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.187 -10.266 4.028 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.284 -9.606 2.680 1.00 0.00 H new ATOM 1442 N GLY A 93 -11.592 -7.132 6.721 1.00 0.00 N ATOM 1443 CA GLY A 93 -12.124 -7.143 8.073 1.00 0.00 C ATOM 1444 C GLY A 93 -11.008 -6.951 9.102 1.00 0.00 C ATOM 1445 O GLY A 93 -11.065 -7.511 10.196 1.00 0.00 O ATOM 0 H GLY A 93 -10.577 -7.044 6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.865 -6.351 8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.636 -8.087 8.259 1.00 0.00 H new ATOM 1449 N ASP A 94 -10.020 -6.159 8.716 1.00 0.00 N ATOM 1450 CA ASP A 94 -8.893 -5.886 9.592 1.00 0.00 C ATOM 1451 C ASP A 94 -8.804 -4.380 9.848 1.00 0.00 C ATOM 1452 O ASP A 94 -9.694 -3.627 9.457 1.00 0.00 O ATOM 1453 CB ASP A 94 -7.577 -6.335 8.953 1.00 0.00 C ATOM 1454 CG ASP A 94 -7.559 -7.783 8.459 1.00 0.00 C ATOM 1455 OD1 ASP A 94 -8.662 -8.365 8.368 1.00 0.00 O ATOM 1456 OD2 ASP A 94 -6.444 -8.276 8.184 1.00 0.00 O ATOM 0 H ASP A 94 -9.976 -5.697 7.808 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.048 -6.434 10.521 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.356 -5.677 8.112 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.775 -6.205 9.679 1.00 0.00 H new ATOM 1461 N GLN A 95 -7.721 -3.987 10.503 1.00 0.00 N ATOM 1462 CA GLN A 95 -7.504 -2.585 10.816 1.00 0.00 C ATOM 1463 C GLN A 95 -6.038 -2.211 10.590 1.00 0.00 C ATOM 1464 O GLN A 95 -5.146 -3.032 10.794 1.00 0.00 O ATOM 1465 CB GLN A 95 -7.936 -2.270 12.250 1.00 0.00 C ATOM 1466 CG GLN A 95 -9.375 -1.751 12.288 1.00 0.00 C ATOM 1467 CD GLN A 95 -9.868 -1.610 13.729 1.00 0.00 C ATOM 1468 OE1 GLN A 95 -9.346 -0.841 14.519 1.00 0.00 O ATOM 1469 NE2 GLN A 95 -10.901 -2.393 14.026 1.00 0.00 N ATOM 0 H GLN A 95 -6.985 -4.615 10.825 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.119 -1.984 10.146 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -7.853 -3.167 12.864 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.266 -1.526 12.680 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -9.431 -0.786 11.785 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -10.026 -2.434 11.742 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.290 -3.014 13.317 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.304 -2.372 14.963 1.00 0.00 H new ATOM 1478 N VAL A 96 -5.835 -0.971 10.171 1.00 0.00 N ATOM 1479 CA VAL A 96 -4.492 -0.478 9.915 1.00 0.00 C ATOM 1480 C VAL A 96 -4.281 0.833 10.674 1.00 0.00 C ATOM 1481 O VAL A 96 -4.706 1.894 10.218 1.00 0.00 O ATOM 1482 CB VAL A 96 -4.264 -0.340 8.408 1.00 0.00 C ATOM 1483 CG1 VAL A 96 -3.089 0.595 8.115 1.00 0.00 C ATOM 1484 CG2 VAL A 96 -4.051 -1.708 7.758 1.00 0.00 C ATOM 0 H VAL A 96 -6.578 -0.293 10.002 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.749 -1.187 10.279 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.160 0.102 7.973 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.948 0.676 7.037 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.297 1.582 8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.183 0.195 8.570 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.891 -1.581 6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.179 -2.189 8.200 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.931 -2.330 7.922 1.00 0.00 H new ATOM 1494 N ILE A 97 -3.625 0.718 11.819 1.00 0.00 N ATOM 1495 CA ILE A 97 -3.353 1.881 12.646 1.00 0.00 C ATOM 1496 C ILE A 97 -2.047 2.533 12.188 1.00 0.00 C ATOM 1497 O ILE A 97 -1.043 1.850 11.991 1.00 0.00 O ATOM 1498 CB ILE A 97 -3.362 1.499 14.128 1.00 0.00 C ATOM 1499 CG1 ILE A 97 -4.579 0.635 14.464 1.00 0.00 C ATOM 1500 CG2 ILE A 97 -3.279 2.743 15.015 1.00 0.00 C ATOM 1501 CD1 ILE A 97 -5.816 1.502 14.707 1.00 0.00 C ATOM 0 H ILE A 97 -3.274 -0.163 12.194 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.141 2.625 12.527 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.475 0.899 14.332 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -4.773 -0.060 13.647 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.371 0.036 15.350 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.287 2.444 16.063 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.357 3.283 14.799 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.134 3.390 14.816 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.667 0.863 14.944 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.628 2.179 15.540 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.036 2.082 13.810 1.00 0.00 H new ATOM 1513 N CYS A 98 -2.103 3.848 12.030 1.00 0.00 N ATOM 1514 CA CYS A 98 -0.937 4.600 11.598 1.00 0.00 C ATOM 1515 C CYS A 98 -0.552 5.572 12.714 1.00 0.00 C ATOM 1516 O CYS A 98 -1.110 6.664 12.811 1.00 0.00 O ATOM 1517 CB CYS A 98 -1.189 5.322 10.273 1.00 0.00 C ATOM 1518 SG CYS A 98 0.144 6.535 9.958 1.00 0.00 S ATOM 0 H CYS A 98 -2.937 4.411 12.193 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.109 3.917 11.412 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.234 4.599 9.458 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -2.154 5.829 10.303 1.00 0.00 H new ATOM 0 HG CYS A 98 0.876 6.127 8.964 1.00 0.00 H new ATOM 1524 N TYR A 99 0.399 5.141 13.529 1.00 0.00 N ATOM 1525 CA TYR A 99 0.866 5.960 14.635 1.00 0.00 C ATOM 1526 C TYR A 99 2.355 6.280 14.491 1.00 0.00 C ATOM 1527 O TYR A 99 3.030 5.732 13.620 1.00 0.00 O ATOM 1528 CB TYR A 99 0.656 5.122 15.898 1.00 0.00 C ATOM 1529 CG TYR A 99 1.711 4.033 16.104 1.00 0.00 C ATOM 1530 CD1 TYR A 99 1.639 2.858 15.383 1.00 0.00 C ATOM 1531 CD2 TYR A 99 2.734 4.225 17.010 1.00 0.00 C ATOM 1532 CE1 TYR A 99 2.631 1.833 15.577 1.00 0.00 C ATOM 1533 CE2 TYR A 99 3.726 3.200 17.204 1.00 0.00 C ATOM 1534 CZ TYR A 99 3.626 2.054 16.478 1.00 0.00 C ATOM 1535 OH TYR A 99 4.564 1.086 16.661 1.00 0.00 O ATOM 0 H TYR A 99 0.859 4.235 13.446 1.00 0.00 H new ATOM 0 HA TYR A 99 0.326 6.906 14.666 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.657 5.783 16.765 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.328 4.656 15.853 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.839 2.708 14.674 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.790 5.144 17.574 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.586 0.909 15.020 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.532 3.338 17.910 1.00 0.00 H new ATOM 0 HH TYR A 99 5.213 1.382 17.333 1.00 0.00 H new