USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 815 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 23 HIS : no HD1:sc= 0.42 K(o=2.7,f=-7.2!) USER MOD Set 1.2: A 35 HIS : no HD1:sc= 2.03 K(o=2.7,f=-8.9!) USER MOD Set 1.3: A 113 CYS SG : rot 75:sc= 0.265 USER MOD Set 2.1: A 109 THR OG1 : rot 125:sc= 0.376 USER MOD Set 2.2: A 112 ASN : amide:sc= 0.951 K(o=1.3,f=-0.86!) USER MOD Single : A 9 LYS NZ :NH3+ 168:sc= 0.783 (180deg=0.62) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -23:sc= 1.2 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -110:sc= 0.553 USER MOD Single : A 73 LYS NZ :NH3+ -174:sc= 1.09 (180deg=1.04) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 1.11 K(o=1.1,f=-0.21) USER MOD Single : A 77 ASN : amide:sc= 1.1 K(o=1.1,f=-1.8) USER MOD Single : A 78 ASN : amide:sc= 0.799 K(o=0.8,f=-0.26) USER MOD Single : A 79 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.13) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -173:sc= 1.28 (180deg=1.13) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 100:sc= 0.406 USER MOD Single : A 89 CYS SG : rot 180:sc= 0.0124 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.771 X(o=-0.77,f=-0.94) USER MOD Single : A 102 GLN : amide:sc= 0.323 X(o=0.32,f=-0.068) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -98:sc= 1.24 USER MOD Single : A 115 HIS : no HD1:sc= -0.338 X(o=-0.34,f=-0.0053) USER MOD Single : A 118 ASN : amide:sc= 0.976 K(o=0.98,f=-1.9!) USER MOD Single : A 122 TYR OH : rot 82:sc= 0.0197 USER MOD ----------------------------------------------------------------- ATOM 116 N PRO A 8 6.237 -3.537 9.167 1.00 0.00 N ATOM 117 CA PRO A 8 6.051 -4.954 8.852 1.00 0.00 C ATOM 118 C PRO A 8 6.180 -5.834 10.105 1.00 0.00 C ATOM 119 O PRO A 8 6.996 -5.549 10.988 1.00 0.00 O ATOM 120 CB PRO A 8 7.126 -5.306 7.816 1.00 0.00 C ATOM 121 CG PRO A 8 7.466 -3.961 7.178 1.00 0.00 C ATOM 122 CD PRO A 8 7.305 -2.994 8.347 1.00 0.00 C ATOM 0 HA PRO A 8 5.050 -5.136 8.462 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.000 -5.760 8.284 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.754 -6.017 7.078 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.479 -3.947 6.776 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.793 -3.720 6.355 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.231 -2.911 8.916 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.057 -1.993 7.995 1.00 0.00 H new ATOM 130 N LYS A 9 5.419 -6.929 10.162 1.00 0.00 N ATOM 131 CA LYS A 9 5.421 -7.878 11.279 1.00 0.00 C ATOM 132 C LYS A 9 5.005 -9.260 10.773 1.00 0.00 C ATOM 133 O LYS A 9 4.181 -9.335 9.855 1.00 0.00 O ATOM 134 CB LYS A 9 4.446 -7.426 12.389 1.00 0.00 C ATOM 135 CG LYS A 9 3.101 -6.921 11.840 1.00 0.00 C ATOM 136 CD LYS A 9 2.057 -6.591 12.910 1.00 0.00 C ATOM 137 CE LYS A 9 0.918 -5.743 12.314 1.00 0.00 C ATOM 138 NZ LYS A 9 0.309 -6.338 11.095 1.00 0.00 N ATOM 0 H LYS A 9 4.771 -7.187 9.418 1.00 0.00 H new ATOM 0 HA LYS A 9 6.427 -7.918 11.696 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.265 -8.260 13.067 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.913 -6.634 12.975 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.281 -6.029 11.240 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.690 -7.677 11.172 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.651 -7.513 13.326 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.528 -6.051 13.731 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.143 -5.608 13.069 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.302 -4.752 12.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.570 -5.833 10.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.974 -6.256 10.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.097 -7.341 11.267 1.00 0.00 H new ATOM 152 N PRO A 10 5.534 -10.353 11.349 1.00 0.00 N ATOM 153 CA PRO A 10 5.030 -11.692 11.093 1.00 0.00 C ATOM 154 C PRO A 10 3.498 -11.743 11.208 1.00 0.00 C ATOM 155 O PRO A 10 2.914 -11.119 12.098 1.00 0.00 O ATOM 156 CB PRO A 10 5.745 -12.592 12.104 1.00 0.00 C ATOM 157 CG PRO A 10 7.077 -11.876 12.317 1.00 0.00 C ATOM 158 CD PRO A 10 6.668 -10.405 12.260 1.00 0.00 C ATOM 0 HA PRO A 10 5.234 -12.027 10.076 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.182 -12.683 13.033 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.886 -13.601 11.717 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.530 -12.135 13.274 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.802 -12.127 11.543 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.395 -10.035 13.248 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.488 -9.783 11.902 1.00 0.00 H new ATOM 166 N GLY A 11 2.856 -12.478 10.299 1.00 0.00 N ATOM 167 CA GLY A 11 1.407 -12.540 10.148 1.00 0.00 C ATOM 168 C GLY A 11 0.904 -11.658 9.000 1.00 0.00 C ATOM 169 O GLY A 11 -0.265 -11.767 8.629 1.00 0.00 O ATOM 0 H GLY A 11 3.350 -13.065 9.627 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.106 -13.572 9.969 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.933 -12.227 11.078 1.00 0.00 H new ATOM 173 N ASP A 12 1.741 -10.787 8.425 1.00 0.00 N ATOM 174 CA ASP A 12 1.343 -9.952 7.290 1.00 0.00 C ATOM 175 C ASP A 12 1.601 -10.668 5.968 1.00 0.00 C ATOM 176 O ASP A 12 2.485 -11.528 5.871 1.00 0.00 O ATOM 177 CB ASP A 12 2.043 -8.581 7.321 1.00 0.00 C ATOM 178 CG ASP A 12 1.354 -7.601 8.276 1.00 0.00 C ATOM 179 OD1 ASP A 12 0.116 -7.697 8.451 1.00 0.00 O ATOM 180 OD2 ASP A 12 2.017 -6.706 8.840 1.00 0.00 O ATOM 0 H ASP A 12 2.703 -10.643 8.731 1.00 0.00 H new ATOM 0 HA ASP A 12 0.271 -9.773 7.375 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.082 -8.712 7.625 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.056 -8.159 6.316 1.00 0.00 H new ATOM 185 N LEU A 13 0.826 -10.295 4.940 1.00 0.00 N ATOM 186 CA LEU A 13 1.088 -10.761 3.578 1.00 0.00 C ATOM 187 C LEU A 13 2.233 -9.934 3.006 1.00 0.00 C ATOM 188 O LEU A 13 2.272 -8.714 3.200 1.00 0.00 O ATOM 189 CB LEU A 13 -0.108 -10.592 2.621 1.00 0.00 C ATOM 190 CG LEU A 13 -1.416 -11.358 2.893 1.00 0.00 C ATOM 191 CD1 LEU A 13 -2.293 -11.321 1.641 1.00 0.00 C ATOM 192 CD2 LEU A 13 -1.140 -12.799 3.311 1.00 0.00 C ATOM 0 H LEU A 13 0.020 -9.677 5.028 1.00 0.00 H new ATOM 0 HA LEU A 13 1.311 -11.825 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.353 -9.530 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.231 -10.870 1.623 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.938 -10.874 3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.220 -11.862 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.522 -10.286 1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.763 -11.788 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.084 -13.312 3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.598 -13.311 2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.540 -12.805 4.221 1.00 0.00 H new ATOM 204 N ILE A 14 3.089 -10.575 2.216 1.00 0.00 N ATOM 205 CA ILE A 14 4.202 -9.953 1.526 1.00 0.00 C ATOM 206 C ILE A 14 3.991 -10.228 0.043 1.00 0.00 C ATOM 207 O ILE A 14 3.849 -11.386 -0.360 1.00 0.00 O ATOM 208 CB ILE A 14 5.542 -10.558 2.019 1.00 0.00 C ATOM 209 CG1 ILE A 14 5.750 -10.440 3.544 1.00 0.00 C ATOM 210 CG2 ILE A 14 6.734 -9.946 1.261 1.00 0.00 C ATOM 211 CD1 ILE A 14 5.834 -9.008 4.086 1.00 0.00 C ATOM 0 H ILE A 14 3.020 -11.577 2.036 1.00 0.00 H new ATOM 0 HA ILE A 14 4.247 -8.881 1.719 1.00 0.00 H new ATOM 0 HB ILE A 14 5.487 -11.624 1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.930 -10.953 4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.667 -10.966 3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.662 -10.387 1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.630 -10.148 0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.755 -8.869 1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.980 -9.036 5.166 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.672 -8.491 3.619 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.909 -8.478 3.859 1.00 0.00 H new ATOM 223 N GLU A 15 3.966 -9.172 -0.765 1.00 0.00 N ATOM 224 CA GLU A 15 4.074 -9.324 -2.202 1.00 0.00 C ATOM 225 C GLU A 15 5.545 -9.088 -2.535 1.00 0.00 C ATOM 226 O GLU A 15 6.257 -8.356 -1.847 1.00 0.00 O ATOM 227 CB GLU A 15 3.131 -8.393 -2.977 1.00 0.00 C ATOM 228 CG GLU A 15 3.499 -6.910 -2.877 1.00 0.00 C ATOM 229 CD GLU A 15 2.733 -6.060 -3.897 1.00 0.00 C ATOM 230 OE1 GLU A 15 1.483 -6.016 -3.847 1.00 0.00 O ATOM 231 OE2 GLU A 15 3.395 -5.408 -4.736 1.00 0.00 O ATOM 0 H GLU A 15 3.872 -8.208 -0.445 1.00 0.00 H new ATOM 0 HA GLU A 15 3.758 -10.320 -2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.129 -8.686 -4.027 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.115 -8.531 -2.606 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.285 -6.550 -1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.571 -6.790 -3.037 1.00 0.00 H new ATOM 238 N ILE A 16 5.983 -9.691 -3.623 1.00 0.00 N ATOM 239 CA ILE A 16 7.348 -9.786 -4.085 1.00 0.00 C ATOM 240 C ILE A 16 7.287 -9.248 -5.506 1.00 0.00 C ATOM 241 O ILE A 16 6.596 -9.828 -6.343 1.00 0.00 O ATOM 242 CB ILE A 16 7.770 -11.273 -4.043 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.736 -11.906 -2.634 1.00 0.00 C ATOM 244 CG2 ILE A 16 9.131 -11.471 -4.723 1.00 0.00 C ATOM 245 CD1 ILE A 16 8.825 -11.406 -1.682 1.00 0.00 C ATOM 0 H ILE A 16 5.338 -10.165 -4.256 1.00 0.00 H new ATOM 0 HA ILE A 16 8.073 -9.234 -3.487 1.00 0.00 H new ATOM 0 HB ILE A 16 7.012 -11.815 -4.608 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.762 -11.709 -2.186 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.828 -12.987 -2.734 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.408 -12.524 -4.682 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.068 -11.153 -5.764 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.885 -10.877 -4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.723 -11.905 -0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.806 -11.627 -2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.723 -10.329 -1.546 1.00 0.00 H new ATOM 257 N PHE A 17 7.957 -8.134 -5.783 1.00 0.00 N ATOM 258 CA PHE A 17 8.030 -7.599 -7.135 1.00 0.00 C ATOM 259 C PHE A 17 8.941 -8.518 -7.951 1.00 0.00 C ATOM 260 O PHE A 17 10.141 -8.608 -7.684 1.00 0.00 O ATOM 261 CB PHE A 17 8.508 -6.136 -7.116 1.00 0.00 C ATOM 262 CG PHE A 17 7.466 -5.178 -7.659 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.399 -4.743 -6.844 1.00 0.00 C ATOM 264 CD2 PHE A 17 7.537 -4.753 -9.000 1.00 0.00 C ATOM 265 CE1 PHE A 17 5.418 -3.884 -7.372 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.557 -3.890 -9.522 1.00 0.00 C ATOM 267 CZ PHE A 17 5.497 -3.455 -8.708 1.00 0.00 C ATOM 0 H PHE A 17 8.458 -7.584 -5.086 1.00 0.00 H new ATOM 0 HA PHE A 17 7.046 -7.579 -7.604 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.760 -5.853 -6.094 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.421 -6.048 -7.706 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.336 -5.069 -5.816 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.347 -5.091 -9.630 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.601 -3.553 -6.748 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.619 -3.561 -10.549 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.744 -2.792 -9.109 1.00 0.00 H new ATOM 277 N ARG A 18 8.365 -9.238 -8.917 1.00 0.00 N ATOM 278 CA ARG A 18 9.092 -10.090 -9.854 1.00 0.00 C ATOM 279 C ARG A 18 9.475 -9.241 -11.080 1.00 0.00 C ATOM 280 O ARG A 18 9.002 -8.108 -11.189 1.00 0.00 O ATOM 281 CB ARG A 18 8.177 -11.284 -10.179 1.00 0.00 C ATOM 282 CG ARG A 18 8.079 -12.292 -9.020 1.00 0.00 C ATOM 283 CD ARG A 18 9.206 -13.321 -9.122 1.00 0.00 C ATOM 284 NE ARG A 18 9.172 -14.316 -8.032 1.00 0.00 N ATOM 285 CZ ARG A 18 9.959 -14.353 -6.945 1.00 0.00 C ATOM 286 NH1 ARG A 18 10.937 -13.475 -6.756 1.00 0.00 N ATOM 287 NH2 ARG A 18 9.764 -15.286 -6.019 1.00 0.00 N ATOM 0 H ARG A 18 7.357 -9.243 -9.071 1.00 0.00 H new ATOM 0 HA ARG A 18 10.024 -10.486 -9.450 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.180 -10.917 -10.420 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.553 -11.793 -11.067 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.140 -11.768 -8.066 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.113 -12.796 -9.046 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.136 -13.836 -10.080 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.166 -12.805 -9.107 1.00 0.00 H new ATOM 0 HE ARG A 18 8.475 -15.056 -8.114 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.108 -12.745 -7.448 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.517 -13.530 -5.919 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.018 -15.972 -6.135 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.360 -15.316 -5.192 1.00 0.00 H new ATOM 301 N PRO A 19 10.318 -9.738 -12.008 1.00 0.00 N ATOM 302 CA PRO A 19 10.899 -8.922 -13.078 1.00 0.00 C ATOM 303 C PRO A 19 9.899 -8.128 -13.933 1.00 0.00 C ATOM 304 O PRO A 19 10.236 -7.038 -14.400 1.00 0.00 O ATOM 305 CB PRO A 19 11.735 -9.885 -13.926 1.00 0.00 C ATOM 306 CG PRO A 19 12.147 -10.958 -12.922 1.00 0.00 C ATOM 307 CD PRO A 19 10.908 -11.073 -12.039 1.00 0.00 C ATOM 0 HA PRO A 19 11.494 -8.128 -12.627 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.157 -10.304 -14.749 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.601 -9.389 -14.365 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.386 -11.902 -13.412 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.027 -10.663 -12.351 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.206 -11.802 -12.443 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.172 -11.407 -11.036 1.00 0.00 H new ATOM 315 N PHE A 20 8.680 -8.647 -14.125 1.00 0.00 N ATOM 316 CA PHE A 20 7.599 -7.972 -14.854 1.00 0.00 C ATOM 317 C PHE A 20 6.214 -8.317 -14.273 1.00 0.00 C ATOM 318 O PHE A 20 5.194 -8.123 -14.938 1.00 0.00 O ATOM 319 CB PHE A 20 7.707 -8.300 -16.359 1.00 0.00 C ATOM 320 CG PHE A 20 7.592 -9.772 -16.725 1.00 0.00 C ATOM 321 CD1 PHE A 20 8.745 -10.581 -16.768 1.00 0.00 C ATOM 322 CD2 PHE A 20 6.338 -10.337 -17.035 1.00 0.00 C ATOM 323 CE1 PHE A 20 8.643 -11.947 -17.090 1.00 0.00 C ATOM 324 CE2 PHE A 20 6.237 -11.703 -17.356 1.00 0.00 C ATOM 325 CZ PHE A 20 7.388 -12.509 -17.380 1.00 0.00 C ATOM 0 H PHE A 20 8.412 -9.565 -13.771 1.00 0.00 H new ATOM 0 HA PHE A 20 7.710 -6.895 -14.732 1.00 0.00 H new ATOM 0 HB2 PHE A 20 6.928 -7.751 -16.888 1.00 0.00 H new ATOM 0 HB3 PHE A 20 8.664 -7.928 -16.725 1.00 0.00 H new ATOM 0 HD1 PHE A 20 9.712 -10.150 -16.553 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.452 -9.719 -17.026 1.00 0.00 H new ATOM 0 HE1 PHE A 20 9.529 -12.564 -17.114 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.273 -12.133 -17.584 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.308 -13.559 -17.621 1.00 0.00 H new ATOM 335 N TYR A 21 6.161 -8.865 -13.054 1.00 0.00 N ATOM 336 CA TYR A 21 4.955 -9.409 -12.430 1.00 0.00 C ATOM 337 C TYR A 21 5.111 -9.348 -10.903 1.00 0.00 C ATOM 338 O TYR A 21 5.934 -8.575 -10.404 1.00 0.00 O ATOM 339 CB TYR A 21 4.669 -10.819 -12.989 1.00 0.00 C ATOM 340 CG TYR A 21 5.724 -11.895 -12.767 1.00 0.00 C ATOM 341 CD1 TYR A 21 6.806 -12.033 -13.657 1.00 0.00 C ATOM 342 CD2 TYR A 21 5.574 -12.823 -11.722 1.00 0.00 C ATOM 343 CE1 TYR A 21 7.709 -13.102 -13.519 1.00 0.00 C ATOM 344 CE2 TYR A 21 6.459 -13.903 -11.577 1.00 0.00 C ATOM 345 CZ TYR A 21 7.532 -14.054 -12.489 1.00 0.00 C ATOM 346 OH TYR A 21 8.400 -15.100 -12.383 1.00 0.00 O ATOM 0 H TYR A 21 6.984 -8.943 -12.457 1.00 0.00 H new ATOM 0 HA TYR A 21 4.075 -8.813 -12.674 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.734 -11.170 -12.552 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.504 -10.727 -14.063 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.943 -11.313 -14.451 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.764 -12.703 -11.018 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.540 -13.196 -14.202 1.00 0.00 H new ATOM 0 HE2 TYR A 21 6.323 -14.614 -10.775 1.00 0.00 H new ATOM 0 HH TYR A 21 8.142 -15.663 -11.624 1.00 0.00 H new ATOM 356 N ARG A 22 4.364 -10.150 -10.134 1.00 0.00 N ATOM 357 CA ARG A 22 4.517 -10.223 -8.684 1.00 0.00 C ATOM 358 C ARG A 22 4.333 -11.659 -8.216 1.00 0.00 C ATOM 359 O ARG A 22 3.694 -12.456 -8.900 1.00 0.00 O ATOM 360 CB ARG A 22 3.611 -9.203 -7.946 1.00 0.00 C ATOM 361 CG ARG A 22 2.123 -9.089 -8.341 1.00 0.00 C ATOM 362 CD ARG A 22 1.366 -10.415 -8.246 1.00 0.00 C ATOM 363 NE ARG A 22 -0.103 -10.256 -8.182 1.00 0.00 N ATOM 364 CZ ARG A 22 -0.990 -10.825 -9.014 1.00 0.00 C ATOM 365 NH1 ARG A 22 -0.652 -11.181 -10.246 1.00 0.00 N ATOM 366 NH2 ARG A 22 -2.222 -11.069 -8.596 1.00 0.00 N ATOM 0 H ARG A 22 3.638 -10.764 -10.504 1.00 0.00 H new ATOM 0 HA ARG A 22 5.532 -9.927 -8.421 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.650 -9.439 -6.883 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.059 -8.217 -8.070 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.639 -8.356 -7.696 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.053 -8.712 -9.361 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.619 -11.031 -9.109 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.704 -10.954 -7.361 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.475 -9.662 -7.441 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.299 -11.024 -10.579 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.343 -11.612 -10.860 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.495 -10.825 -7.644 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.898 -11.501 -9.226 1.00 0.00 H new ATOM 380 N HIS A 23 4.874 -11.985 -7.055 1.00 0.00 N ATOM 381 CA HIS A 23 4.739 -13.269 -6.378 1.00 0.00 C ATOM 382 C HIS A 23 4.294 -12.967 -4.943 1.00 0.00 C ATOM 383 O HIS A 23 4.317 -11.804 -4.531 1.00 0.00 O ATOM 384 CB HIS A 23 6.073 -14.028 -6.458 1.00 0.00 C ATOM 385 CG HIS A 23 6.121 -15.299 -5.650 1.00 0.00 C ATOM 386 ND1 HIS A 23 5.312 -16.420 -5.856 1.00 0.00 N ATOM 387 CD2 HIS A 23 6.944 -15.530 -4.587 1.00 0.00 C ATOM 388 CE1 HIS A 23 5.695 -17.312 -4.923 1.00 0.00 C ATOM 389 NE2 HIS A 23 6.669 -16.805 -4.153 1.00 0.00 N ATOM 0 H HIS A 23 5.450 -11.328 -6.529 1.00 0.00 H new ATOM 0 HA HIS A 23 3.996 -13.916 -6.844 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.277 -14.268 -7.501 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.872 -13.368 -6.121 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.668 -14.846 -4.169 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.275 -18.301 -4.810 1.00 0.00 H new ATOM 0 HE2 HIS A 23 7.127 -17.284 -3.378 1.00 0.00 H new ATOM 397 N TRP A 24 3.886 -13.978 -4.176 1.00 0.00 N ATOM 398 CA TRP A 24 3.312 -13.786 -2.852 1.00 0.00 C ATOM 399 C TRP A 24 3.886 -14.767 -1.843 1.00 0.00 C ATOM 400 O TRP A 24 4.158 -15.924 -2.167 1.00 0.00 O ATOM 401 CB TRP A 24 1.798 -13.949 -2.931 1.00 0.00 C ATOM 402 CG TRP A 24 1.098 -12.800 -3.563 1.00 0.00 C ATOM 403 CD1 TRP A 24 0.771 -12.668 -4.865 1.00 0.00 C ATOM 404 CD2 TRP A 24 0.597 -11.611 -2.900 1.00 0.00 C ATOM 405 NE1 TRP A 24 0.060 -11.498 -5.038 1.00 0.00 N ATOM 406 CE2 TRP A 24 -0.077 -10.801 -3.856 1.00 0.00 C ATOM 407 CE3 TRP A 24 0.616 -11.169 -1.565 1.00 0.00 C ATOM 408 CZ2 TRP A 24 -0.746 -9.624 -3.495 1.00 0.00 C ATOM 409 CZ3 TRP A 24 -0.036 -9.979 -1.193 1.00 0.00 C ATOM 410 CH2 TRP A 24 -0.730 -9.219 -2.150 1.00 0.00 C ATOM 0 H TRP A 24 3.946 -14.956 -4.460 1.00 0.00 H new ATOM 0 HA TRP A 24 3.563 -12.781 -2.514 1.00 0.00 H new ATOM 0 HB2 TRP A 24 1.569 -14.854 -3.493 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.405 -14.091 -1.924 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.025 -13.367 -5.648 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.319 -11.186 -5.932 1.00 0.00 H new ATOM 0 HE3 TRP A 24 1.137 -11.749 -0.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.265 -9.038 -4.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -0.003 -9.648 -0.166 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.252 -8.322 -1.851 1.00 0.00 H new ATOM 421 N ALA A 25 4.012 -14.288 -0.607 1.00 0.00 N ATOM 422 CA ALA A 25 4.518 -15.010 0.542 1.00 0.00 C ATOM 423 C ALA A 25 3.830 -14.463 1.800 1.00 0.00 C ATOM 424 O ALA A 25 3.132 -13.447 1.743 1.00 0.00 O ATOM 425 CB ALA A 25 6.038 -14.806 0.599 1.00 0.00 C ATOM 0 H ALA A 25 3.747 -13.331 -0.375 1.00 0.00 H new ATOM 0 HA ALA A 25 4.310 -16.078 0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.445 -15.341 1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.491 -15.189 -0.315 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.259 -13.743 0.696 1.00 0.00 H new ATOM 431 N ILE A 26 4.038 -15.107 2.946 1.00 0.00 N ATOM 432 CA ILE A 26 3.491 -14.677 4.226 1.00 0.00 C ATOM 433 C ILE A 26 4.633 -14.633 5.236 1.00 0.00 C ATOM 434 O ILE A 26 5.479 -15.527 5.256 1.00 0.00 O ATOM 435 CB ILE A 26 2.319 -15.607 4.599 1.00 0.00 C ATOM 436 CG1 ILE A 26 1.388 -14.914 5.607 1.00 0.00 C ATOM 437 CG2 ILE A 26 2.765 -16.996 5.082 1.00 0.00 C ATOM 438 CD1 ILE A 26 0.039 -15.630 5.669 1.00 0.00 C ATOM 0 H ILE A 26 4.601 -15.955 3.010 1.00 0.00 H new ATOM 0 HA ILE A 26 3.070 -13.672 4.196 1.00 0.00 H new ATOM 0 HB ILE A 26 1.759 -15.796 3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.850 -14.910 6.594 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.241 -13.873 5.319 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.888 -17.595 5.326 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.334 -17.490 4.294 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.390 -16.890 5.969 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.608 -15.126 6.387 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.428 -15.611 4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.190 -16.664 5.979 1.00 0.00 H new ATOM 450 N TYR A 27 4.703 -13.562 6.021 1.00 0.00 N ATOM 451 CA TYR A 27 5.805 -13.277 6.927 1.00 0.00 C ATOM 452 C TYR A 27 5.621 -14.134 8.181 1.00 0.00 C ATOM 453 O TYR A 27 4.529 -14.134 8.751 1.00 0.00 O ATOM 454 CB TYR A 27 5.754 -11.759 7.197 1.00 0.00 C ATOM 455 CG TYR A 27 6.996 -11.022 7.675 1.00 0.00 C ATOM 456 CD1 TYR A 27 8.292 -11.574 7.627 1.00 0.00 C ATOM 457 CD2 TYR A 27 6.836 -9.690 8.099 1.00 0.00 C ATOM 458 CE1 TYR A 27 9.403 -10.815 8.040 1.00 0.00 C ATOM 459 CE2 TYR A 27 7.935 -8.939 8.547 1.00 0.00 C ATOM 460 CZ TYR A 27 9.228 -9.503 8.533 1.00 0.00 C ATOM 461 OH TYR A 27 10.282 -8.773 8.991 1.00 0.00 O ATOM 0 H TYR A 27 3.973 -12.850 6.043 1.00 0.00 H new ATOM 0 HA TYR A 27 6.788 -13.523 6.526 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.428 -11.278 6.275 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.973 -11.589 7.938 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.433 -12.584 7.272 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.855 -9.239 8.080 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.395 -11.238 7.980 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.790 -7.929 8.902 1.00 0.00 H new ATOM 0 HH TYR A 27 11.005 -9.377 9.260 1.00 0.00 H new ATOM 471 N VAL A 28 6.654 -14.858 8.623 1.00 0.00 N ATOM 472 CA VAL A 28 6.540 -15.814 9.740 1.00 0.00 C ATOM 473 C VAL A 28 7.641 -15.668 10.797 1.00 0.00 C ATOM 474 O VAL A 28 7.493 -16.184 11.905 1.00 0.00 O ATOM 475 CB VAL A 28 6.475 -17.268 9.224 1.00 0.00 C ATOM 476 CG1 VAL A 28 5.220 -17.515 8.374 1.00 0.00 C ATOM 477 CG2 VAL A 28 7.731 -17.682 8.441 1.00 0.00 C ATOM 0 H VAL A 28 7.590 -14.802 8.222 1.00 0.00 H new ATOM 0 HA VAL A 28 5.603 -15.568 10.240 1.00 0.00 H new ATOM 0 HB VAL A 28 6.423 -17.893 10.115 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.211 -18.549 8.030 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.331 -17.325 8.975 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.226 -16.846 7.513 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.626 -18.713 8.104 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.853 -17.029 7.577 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.606 -17.598 9.086 1.00 0.00 H new ATOM 487 N GLY A 29 8.723 -14.953 10.494 1.00 0.00 N ATOM 488 CA GLY A 29 9.819 -14.685 11.413 1.00 0.00 C ATOM 489 C GLY A 29 10.554 -13.457 10.905 1.00 0.00 C ATOM 490 O GLY A 29 10.317 -13.042 9.774 1.00 0.00 O ATOM 0 H GLY A 29 8.862 -14.534 9.575 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.441 -14.515 12.421 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.493 -15.540 11.465 1.00 0.00 H new ATOM 494 N ASP A 30 11.452 -12.892 11.714 1.00 0.00 N ATOM 495 CA ASP A 30 12.067 -11.576 11.490 1.00 0.00 C ATOM 496 C ASP A 30 12.626 -11.352 10.078 1.00 0.00 C ATOM 497 O ASP A 30 12.555 -10.234 9.563 1.00 0.00 O ATOM 498 CB ASP A 30 13.165 -11.346 12.533 1.00 0.00 C ATOM 499 CG ASP A 30 13.855 -9.984 12.343 1.00 0.00 C ATOM 500 OD1 ASP A 30 13.266 -8.946 12.721 1.00 0.00 O ATOM 501 OD2 ASP A 30 15.011 -9.950 11.865 1.00 0.00 O ATOM 0 H ASP A 30 11.782 -13.346 12.566 1.00 0.00 H new ATOM 0 HA ASP A 30 11.262 -10.848 11.595 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.734 -11.399 13.533 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.906 -12.142 12.463 1.00 0.00 H new ATOM 506 N GLY A 31 13.117 -12.411 9.429 1.00 0.00 N ATOM 507 CA GLY A 31 13.608 -12.370 8.056 1.00 0.00 C ATOM 508 C GLY A 31 13.095 -13.516 7.187 1.00 0.00 C ATOM 509 O GLY A 31 13.636 -13.707 6.101 1.00 0.00 O ATOM 0 H GLY A 31 13.184 -13.336 9.854 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.315 -11.423 7.603 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.698 -12.394 8.068 1.00 0.00 H new ATOM 513 N TYR A 32 12.084 -14.283 7.615 1.00 0.00 N ATOM 514 CA TYR A 32 11.641 -15.490 6.914 1.00 0.00 C ATOM 515 C TYR A 32 10.166 -15.439 6.562 1.00 0.00 C ATOM 516 O TYR A 32 9.341 -14.880 7.292 1.00 0.00 O ATOM 517 CB TYR A 32 11.921 -16.741 7.753 1.00 0.00 C ATOM 518 CG TYR A 32 13.387 -17.102 7.807 1.00 0.00 C ATOM 519 CD1 TYR A 32 14.226 -16.456 8.733 1.00 0.00 C ATOM 520 CD2 TYR A 32 13.915 -18.052 6.911 1.00 0.00 C ATOM 521 CE1 TYR A 32 15.595 -16.771 8.782 1.00 0.00 C ATOM 522 CE2 TYR A 32 15.284 -18.369 6.952 1.00 0.00 C ATOM 523 CZ TYR A 32 16.130 -17.733 7.892 1.00 0.00 C ATOM 524 OH TYR A 32 17.456 -18.050 7.922 1.00 0.00 O ATOM 0 H TYR A 32 11.550 -14.081 8.460 1.00 0.00 H new ATOM 0 HA TYR A 32 12.210 -15.538 5.986 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.555 -16.581 8.767 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.361 -17.580 7.341 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.818 -15.717 9.407 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.269 -18.536 6.194 1.00 0.00 H new ATOM 0 HE1 TYR A 32 16.238 -16.280 9.498 1.00 0.00 H new ATOM 0 HE2 TYR A 32 15.690 -19.098 6.266 1.00 0.00 H new ATOM 0 HH TYR A 32 17.645 -18.730 7.242 1.00 0.00 H new ATOM 534 N VAL A 33 9.841 -16.104 5.459 1.00 0.00 N ATOM 535 CA VAL A 33 8.495 -16.195 4.915 1.00 0.00 C ATOM 536 C VAL A 33 8.159 -17.646 4.581 1.00 0.00 C ATOM 537 O VAL A 33 9.051 -18.469 4.375 1.00 0.00 O ATOM 538 CB VAL A 33 8.354 -15.313 3.656 1.00 0.00 C ATOM 539 CG1 VAL A 33 8.339 -13.818 3.984 1.00 0.00 C ATOM 540 CG2 VAL A 33 9.429 -15.591 2.592 1.00 0.00 C ATOM 0 H VAL A 33 10.530 -16.610 4.903 1.00 0.00 H new ATOM 0 HA VAL A 33 7.795 -15.834 5.668 1.00 0.00 H new ATOM 0 HB VAL A 33 7.387 -15.591 3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.238 -13.244 3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.498 -13.598 4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.270 -13.545 4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.270 -14.937 1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.416 -15.403 3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.364 -16.631 2.272 1.00 0.00 H new ATOM 550 N VAL A 34 6.865 -17.939 4.484 1.00 0.00 N ATOM 551 CA VAL A 34 6.326 -19.174 3.939 1.00 0.00 C ATOM 552 C VAL A 34 5.707 -18.795 2.596 1.00 0.00 C ATOM 553 O VAL A 34 5.100 -17.727 2.472 1.00 0.00 O ATOM 554 CB VAL A 34 5.320 -19.787 4.935 1.00 0.00 C ATOM 555 CG1 VAL A 34 4.428 -20.871 4.318 1.00 0.00 C ATOM 556 CG2 VAL A 34 6.086 -20.368 6.124 1.00 0.00 C ATOM 0 H VAL A 34 6.138 -17.295 4.796 1.00 0.00 H new ATOM 0 HA VAL A 34 7.081 -19.944 3.784 1.00 0.00 H new ATOM 0 HB VAL A 34 4.654 -18.984 5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.746 -21.256 5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.853 -20.445 3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.050 -21.684 3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.382 -20.803 6.833 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.772 -21.139 5.773 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.652 -19.576 6.615 1.00 0.00 H new ATOM 566 N HIS A 35 5.868 -19.643 1.582 1.00 0.00 N ATOM 567 CA HIS A 35 5.318 -19.398 0.252 1.00 0.00 C ATOM 568 C HIS A 35 5.199 -20.693 -0.545 1.00 0.00 C ATOM 569 O HIS A 35 5.691 -21.741 -0.117 1.00 0.00 O ATOM 570 CB HIS A 35 6.176 -18.361 -0.497 1.00 0.00 C ATOM 571 CG HIS A 35 7.534 -18.800 -1.001 1.00 0.00 C ATOM 572 ND1 HIS A 35 8.214 -18.158 -2.039 1.00 0.00 N ATOM 573 CD2 HIS A 35 8.309 -19.828 -0.537 1.00 0.00 C ATOM 574 CE1 HIS A 35 9.369 -18.825 -2.189 1.00 0.00 C ATOM 575 NE2 HIS A 35 9.451 -19.827 -1.303 1.00 0.00 N ATOM 0 H HIS A 35 6.384 -20.519 1.660 1.00 0.00 H new ATOM 0 HA HIS A 35 4.312 -18.994 0.367 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.601 -18.005 -1.352 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.324 -17.508 0.165 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.071 -20.505 0.270 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.126 -18.587 -2.921 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.230 -20.479 -1.212 1.00 0.00 H new ATOM 583 N LEU A 36 4.555 -20.619 -1.713 1.00 0.00 N ATOM 584 CA LEU A 36 4.550 -21.712 -2.677 1.00 0.00 C ATOM 585 C LEU A 36 5.868 -21.667 -3.450 1.00 0.00 C ATOM 586 O LEU A 36 6.367 -20.588 -3.776 1.00 0.00 O ATOM 587 CB LEU A 36 3.369 -21.582 -3.660 1.00 0.00 C ATOM 588 CG LEU A 36 2.041 -22.237 -3.246 1.00 0.00 C ATOM 589 CD1 LEU A 36 2.152 -23.753 -3.060 1.00 0.00 C ATOM 590 CD2 LEU A 36 1.480 -21.629 -1.969 1.00 0.00 C ATOM 0 H LEU A 36 4.025 -19.800 -2.012 1.00 0.00 H new ATOM 0 HA LEU A 36 4.441 -22.659 -2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.185 -20.521 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.674 -22.010 -4.615 1.00 0.00 H new ATOM 0 HG LEU A 36 1.361 -22.040 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.182 -24.156 -2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.469 -24.212 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.884 -23.972 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.542 -22.121 -1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.194 -21.765 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.302 -20.564 -2.121 1.00 0.00 H new ATOM 602 N ALA A 37 6.393 -22.844 -3.780 1.00 0.00 N ATOM 603 CA ALA A 37 7.667 -23.060 -4.446 1.00 0.00 C ATOM 604 C ALA A 37 7.520 -24.214 -5.456 1.00 0.00 C ATOM 605 O ALA A 37 6.552 -24.980 -5.358 1.00 0.00 O ATOM 606 CB ALA A 37 8.714 -23.389 -3.375 1.00 0.00 C ATOM 0 H ALA A 37 5.911 -23.720 -3.577 1.00 0.00 H new ATOM 0 HA ALA A 37 7.982 -22.171 -4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.681 -23.556 -3.850 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.792 -22.557 -2.675 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.414 -24.288 -2.837 1.00 0.00 H new ATOM 612 N PRO A 38 8.436 -24.348 -6.437 1.00 0.00 N ATOM 613 CA PRO A 38 8.380 -25.419 -7.425 1.00 0.00 C ATOM 614 C PRO A 38 8.351 -26.805 -6.762 1.00 0.00 C ATOM 615 O PRO A 38 8.988 -26.994 -5.723 1.00 0.00 O ATOM 616 CB PRO A 38 9.629 -25.256 -8.303 1.00 0.00 C ATOM 617 CG PRO A 38 9.987 -23.782 -8.147 1.00 0.00 C ATOM 618 CD PRO A 38 9.580 -23.484 -6.705 1.00 0.00 C ATOM 0 HA PRO A 38 7.466 -25.352 -8.015 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.440 -25.903 -7.970 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.424 -25.511 -9.343 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.050 -23.605 -8.312 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.445 -23.157 -8.857 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.398 -23.691 -6.015 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.316 -22.434 -6.581 1.00 0.00 H new ATOM 626 N PRO A 39 7.687 -27.800 -7.376 1.00 0.00 N ATOM 627 CA PRO A 39 7.655 -29.168 -6.865 1.00 0.00 C ATOM 628 C PRO A 39 9.003 -29.885 -7.073 1.00 0.00 C ATOM 629 O PRO A 39 9.239 -30.947 -6.493 1.00 0.00 O ATOM 630 CB PRO A 39 6.534 -29.841 -7.665 1.00 0.00 C ATOM 631 CG PRO A 39 6.625 -29.151 -9.028 1.00 0.00 C ATOM 632 CD PRO A 39 7.022 -27.720 -8.667 1.00 0.00 C ATOM 0 HA PRO A 39 7.478 -29.202 -5.790 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.686 -30.917 -7.746 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.560 -29.691 -7.200 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.367 -29.625 -9.671 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.674 -29.183 -9.560 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.685 -27.297 -9.422 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.146 -27.074 -8.615 1.00 0.00 H new ATOM 846 N LYS A 57 2.050 -28.805 -10.606 1.00 0.00 N ATOM 847 CA LYS A 57 2.131 -29.041 -9.179 1.00 0.00 C ATOM 848 C LYS A 57 2.972 -27.931 -8.574 1.00 0.00 C ATOM 849 O LYS A 57 3.742 -27.263 -9.268 1.00 0.00 O ATOM 850 CB LYS A 57 2.825 -30.384 -8.930 1.00 0.00 C ATOM 851 CG LYS A 57 1.905 -31.545 -9.287 1.00 0.00 C ATOM 852 CD LYS A 57 2.715 -32.835 -9.416 1.00 0.00 C ATOM 853 CE LYS A 57 1.787 -34.018 -9.731 1.00 0.00 C ATOM 854 NZ LYS A 57 2.532 -35.294 -9.872 1.00 0.00 N ATOM 0 HA LYS A 57 1.136 -29.059 -8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.738 -30.442 -9.523 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.120 -30.457 -7.883 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.139 -31.662 -8.520 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.388 -31.335 -10.224 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.459 -32.728 -10.205 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.257 -33.026 -8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.046 -34.118 -8.938 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.242 -33.814 -10.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.865 -36.064 -10.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.221 -35.210 -10.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.032 -35.504 -8.985 1.00 0.00 H new ATOM 868 N ALA A 58 2.865 -27.801 -7.264 1.00 0.00 N ATOM 869 CA ALA A 58 3.723 -26.957 -6.443 1.00 0.00 C ATOM 870 C ALA A 58 3.717 -27.491 -5.021 1.00 0.00 C ATOM 871 O ALA A 58 3.004 -28.445 -4.718 1.00 0.00 O ATOM 872 CB ALA A 58 3.241 -25.504 -6.500 1.00 0.00 C ATOM 0 H ALA A 58 2.156 -28.295 -6.722 1.00 0.00 H new ATOM 0 HA ALA A 58 4.745 -26.977 -6.821 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.889 -24.881 -5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.272 -25.151 -7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.219 -25.445 -6.127 1.00 0.00 H new ATOM 878 N ILE A 59 4.512 -26.897 -4.139 1.00 0.00 N ATOM 879 CA ILE A 59 4.630 -27.321 -2.750 1.00 0.00 C ATOM 880 C ILE A 59 4.865 -26.078 -1.891 1.00 0.00 C ATOM 881 O ILE A 59 5.282 -25.041 -2.411 1.00 0.00 O ATOM 882 CB ILE A 59 5.752 -28.378 -2.612 1.00 0.00 C ATOM 883 CG1 ILE A 59 7.144 -27.777 -2.895 1.00 0.00 C ATOM 884 CG2 ILE A 59 5.493 -29.632 -3.476 1.00 0.00 C ATOM 885 CD1 ILE A 59 8.248 -28.827 -2.798 1.00 0.00 C ATOM 0 H ILE A 59 5.100 -26.097 -4.372 1.00 0.00 H new ATOM 0 HA ILE A 59 3.716 -27.803 -2.404 1.00 0.00 H new ATOM 0 HB ILE A 59 5.740 -28.704 -1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.152 -27.333 -3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.344 -26.974 -2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.310 -30.341 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.555 -30.097 -3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.431 -29.344 -4.525 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.212 -28.362 -3.004 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.258 -29.253 -1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.063 -29.617 -3.526 1.00 0.00 H new ATOM 897 N VAL A 60 4.596 -26.156 -0.590 1.00 0.00 N ATOM 898 CA VAL A 60 4.739 -25.027 0.322 1.00 0.00 C ATOM 899 C VAL A 60 6.103 -25.178 1.000 1.00 0.00 C ATOM 900 O VAL A 60 6.446 -26.269 1.461 1.00 0.00 O ATOM 901 CB VAL A 60 3.575 -25.042 1.331 1.00 0.00 C ATOM 902 CG1 VAL A 60 3.646 -23.871 2.322 1.00 0.00 C ATOM 903 CG2 VAL A 60 2.194 -25.002 0.652 1.00 0.00 C ATOM 0 H VAL A 60 4.271 -27.010 -0.137 1.00 0.00 H new ATOM 0 HA VAL A 60 4.698 -24.067 -0.192 1.00 0.00 H new ATOM 0 HB VAL A 60 3.688 -25.986 1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.804 -23.927 3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.579 -23.925 2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.606 -22.929 1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.414 -25.015 1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.107 -24.092 0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.082 -25.871 0.003 1.00 0.00 H new ATOM 913 N LYS A 61 6.874 -24.094 1.099 1.00 0.00 N ATOM 914 CA LYS A 61 8.196 -24.074 1.730 1.00 0.00 C ATOM 915 C LYS A 61 8.335 -22.821 2.588 1.00 0.00 C ATOM 916 O LYS A 61 7.541 -21.888 2.463 1.00 0.00 O ATOM 917 CB LYS A 61 9.306 -24.132 0.658 1.00 0.00 C ATOM 918 CG LYS A 61 9.487 -25.554 0.109 1.00 0.00 C ATOM 919 CD LYS A 61 10.635 -25.675 -0.910 1.00 0.00 C ATOM 920 CE LYS A 61 12.041 -25.418 -0.340 1.00 0.00 C ATOM 921 NZ LYS A 61 12.490 -26.473 0.607 1.00 0.00 N ATOM 0 H LYS A 61 6.591 -23.184 0.735 1.00 0.00 H new ATOM 0 HA LYS A 61 8.301 -24.950 2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.059 -23.454 -0.159 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.246 -23.785 1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.675 -26.235 0.939 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.558 -25.875 -0.362 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.612 -26.675 -1.343 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.455 -24.971 -1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.753 -25.350 -1.163 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.049 -24.454 0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.442 -26.244 0.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.830 -26.523 1.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.512 -27.391 0.119 1.00 0.00 H new ATOM 935 N LYS A 62 9.368 -22.798 3.431 1.00 0.00 N ATOM 936 CA LYS A 62 9.760 -21.645 4.238 1.00 0.00 C ATOM 937 C LYS A 62 11.165 -21.266 3.793 1.00 0.00 C ATOM 938 O LYS A 62 12.012 -22.153 3.671 1.00 0.00 O ATOM 939 CB LYS A 62 9.727 -22.021 5.731 1.00 0.00 C ATOM 940 CG LYS A 62 10.124 -20.861 6.661 1.00 0.00 C ATOM 941 CD LYS A 62 10.125 -21.319 8.126 1.00 0.00 C ATOM 942 CE LYS A 62 10.660 -20.207 9.042 1.00 0.00 C ATOM 943 NZ LYS A 62 10.719 -20.631 10.464 1.00 0.00 N ATOM 0 H LYS A 62 9.973 -23.607 3.574 1.00 0.00 H new ATOM 0 HA LYS A 62 9.080 -20.803 4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.724 -22.359 5.991 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.400 -22.861 5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.113 -20.492 6.389 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.428 -20.032 6.534 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.114 -21.591 8.428 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.740 -22.212 8.233 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.656 -19.914 8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.022 -19.327 8.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.086 -19.850 11.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.765 -20.886 10.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.348 -21.454 10.555 1.00 0.00 H new ATOM 957 N GLU A 63 11.417 -19.984 3.542 1.00 0.00 N ATOM 958 CA GLU A 63 12.668 -19.483 2.986 1.00 0.00 C ATOM 959 C GLU A 63 12.897 -18.061 3.502 1.00 0.00 C ATOM 960 O GLU A 63 11.977 -17.400 3.992 1.00 0.00 O ATOM 961 CB GLU A 63 12.624 -19.507 1.441 1.00 0.00 C ATOM 962 CG GLU A 63 12.676 -20.935 0.873 1.00 0.00 C ATOM 963 CD GLU A 63 12.880 -20.966 -0.649 1.00 0.00 C ATOM 964 OE1 GLU A 63 14.035 -20.858 -1.119 1.00 0.00 O ATOM 965 OE2 GLU A 63 11.882 -21.152 -1.379 1.00 0.00 O ATOM 0 H GLU A 63 10.737 -19.246 3.725 1.00 0.00 H new ATOM 0 HA GLU A 63 13.493 -20.122 3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.713 -19.016 1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.462 -18.932 1.048 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.486 -21.483 1.354 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.750 -21.453 1.121 1.00 0.00 H new ATOM 972 N LEU A 64 14.144 -17.595 3.426 1.00 0.00 N ATOM 973 CA LEU A 64 14.530 -16.247 3.825 1.00 0.00 C ATOM 974 C LEU A 64 13.889 -15.247 2.864 1.00 0.00 C ATOM 975 O LEU A 64 14.089 -15.344 1.652 1.00 0.00 O ATOM 976 CB LEU A 64 16.066 -16.142 3.771 1.00 0.00 C ATOM 977 CG LEU A 64 16.622 -14.812 4.315 1.00 0.00 C ATOM 978 CD1 LEU A 64 16.710 -14.835 5.844 1.00 0.00 C ATOM 979 CD2 LEU A 64 18.020 -14.558 3.740 1.00 0.00 C ATOM 0 H LEU A 64 14.924 -18.154 3.080 1.00 0.00 H new ATOM 0 HA LEU A 64 14.192 -16.029 4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.497 -16.965 4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.392 -16.265 2.738 1.00 0.00 H new ATOM 0 HG LEU A 64 15.942 -14.016 4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.106 -13.884 6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.717 -14.995 6.263 1.00 0.00 H new ATOM 0 HD13 LEU A 64 17.371 -15.643 6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 64 18.408 -13.616 4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 64 18.686 -15.371 4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 64 17.962 -14.506 2.653 1.00 0.00 H new ATOM 991 N LEU A 65 13.169 -14.258 3.395 1.00 0.00 N ATOM 992 CA LEU A 65 12.455 -13.246 2.618 1.00 0.00 C ATOM 993 C LEU A 65 13.388 -12.582 1.617 1.00 0.00 C ATOM 994 O LEU A 65 13.037 -12.450 0.449 1.00 0.00 O ATOM 995 CB LEU A 65 11.828 -12.214 3.574 1.00 0.00 C ATOM 996 CG LEU A 65 10.908 -11.189 2.873 1.00 0.00 C ATOM 997 CD1 LEU A 65 9.957 -10.562 3.906 1.00 0.00 C ATOM 998 CD2 LEU A 65 11.657 -10.009 2.237 1.00 0.00 C ATOM 0 H LEU A 65 13.064 -14.136 4.402 1.00 0.00 H new ATOM 0 HA LEU A 65 11.656 -13.723 2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.254 -12.741 4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.626 -11.679 4.089 1.00 0.00 H new ATOM 0 HG LEU A 65 10.398 -11.752 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.308 -9.839 3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.349 -11.343 4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.539 -10.059 4.678 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.941 -9.335 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.209 -9.471 3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.353 -10.382 1.486 1.00 0.00 H new ATOM 1010 N TYR A 66 14.584 -12.197 2.059 1.00 0.00 N ATOM 1011 CA TYR A 66 15.519 -11.444 1.235 1.00 0.00 C ATOM 1012 C TYR A 66 16.014 -12.257 0.029 1.00 0.00 C ATOM 1013 O TYR A 66 16.432 -11.663 -0.965 1.00 0.00 O ATOM 1014 CB TYR A 66 16.675 -10.945 2.114 1.00 0.00 C ATOM 1015 CG TYR A 66 16.203 -10.267 3.393 1.00 0.00 C ATOM 1016 CD1 TYR A 66 15.410 -9.105 3.325 1.00 0.00 C ATOM 1017 CD2 TYR A 66 16.490 -10.841 4.648 1.00 0.00 C ATOM 1018 CE1 TYR A 66 14.895 -8.526 4.499 1.00 0.00 C ATOM 1019 CE2 TYR A 66 15.983 -10.267 5.826 1.00 0.00 C ATOM 1020 CZ TYR A 66 15.176 -9.107 5.756 1.00 0.00 C ATOM 1021 OH TYR A 66 14.668 -8.542 6.886 1.00 0.00 O ATOM 0 H TYR A 66 14.929 -12.399 2.997 1.00 0.00 H new ATOM 0 HA TYR A 66 15.002 -10.582 0.813 1.00 0.00 H new ATOM 0 HB2 TYR A 66 17.317 -11.787 2.372 1.00 0.00 H new ATOM 0 HB3 TYR A 66 17.283 -10.244 1.541 1.00 0.00 H new ATOM 0 HD1 TYR A 66 15.196 -8.656 2.366 1.00 0.00 H new ATOM 0 HD2 TYR A 66 17.104 -11.728 4.704 1.00 0.00 H new ATOM 0 HE1 TYR A 66 14.285 -7.637 4.440 1.00 0.00 H new ATOM 0 HE2 TYR A 66 16.209 -10.711 6.784 1.00 0.00 H new ATOM 0 HH TYR A 66 14.952 -9.061 7.667 1.00 0.00 H new ATOM 1031 N ASP A 67 15.939 -13.593 0.080 1.00 0.00 N ATOM 1032 CA ASP A 67 16.218 -14.440 -1.079 1.00 0.00 C ATOM 1033 C ASP A 67 14.987 -14.526 -1.985 1.00 0.00 C ATOM 1034 O ASP A 67 15.117 -14.401 -3.202 1.00 0.00 O ATOM 1035 CB ASP A 67 16.644 -15.844 -0.645 1.00 0.00 C ATOM 1036 CG ASP A 67 16.968 -16.703 -1.878 1.00 0.00 C ATOM 1037 OD1 ASP A 67 18.066 -16.543 -2.456 1.00 0.00 O ATOM 1038 OD2 ASP A 67 16.139 -17.554 -2.266 1.00 0.00 O ATOM 0 H ASP A 67 15.685 -14.111 0.921 1.00 0.00 H new ATOM 0 HA ASP A 67 17.040 -13.988 -1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 67 17.517 -15.783 0.005 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.848 -16.311 -0.066 1.00 0.00 H new ATOM 1043 N VAL A 68 13.784 -14.662 -1.406 1.00 0.00 N ATOM 1044 CA VAL A 68 12.525 -14.672 -2.156 1.00 0.00 C ATOM 1045 C VAL A 68 12.376 -13.366 -2.954 1.00 0.00 C ATOM 1046 O VAL A 68 11.993 -13.399 -4.126 1.00 0.00 O ATOM 1047 CB VAL A 68 11.329 -14.941 -1.201 1.00 0.00 C ATOM 1048 CG1 VAL A 68 10.001 -15.007 -1.972 1.00 0.00 C ATOM 1049 CG2 VAL A 68 11.490 -16.293 -0.483 1.00 0.00 C ATOM 0 H VAL A 68 13.660 -14.768 -0.399 1.00 0.00 H new ATOM 0 HA VAL A 68 12.534 -15.486 -2.880 1.00 0.00 H new ATOM 0 HB VAL A 68 11.318 -14.118 -0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.185 -15.196 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.829 -14.060 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.046 -15.812 -2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.640 -16.457 0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.535 -17.094 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.410 -16.287 0.102 1.00 0.00 H new ATOM 1059 N ALA A 69 12.735 -12.227 -2.356 1.00 0.00 N ATOM 1060 CA ALA A 69 12.677 -10.901 -2.963 1.00 0.00 C ATOM 1061 C ALA A 69 13.792 -10.640 -3.988 1.00 0.00 C ATOM 1062 O ALA A 69 13.866 -9.532 -4.524 1.00 0.00 O ATOM 1063 CB ALA A 69 12.714 -9.851 -1.847 1.00 0.00 C ATOM 0 H ALA A 69 13.087 -12.206 -1.399 1.00 0.00 H new ATOM 0 HA ALA A 69 11.746 -10.838 -3.526 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.671 -8.854 -2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.860 -9.994 -1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 69 13.637 -9.958 -1.277 1.00 0.00 H new ATOM 1069 N GLY A 70 14.662 -11.622 -4.255 1.00 0.00 N ATOM 1070 CA GLY A 70 15.887 -11.467 -5.032 1.00 0.00 C ATOM 1071 C GLY A 70 15.703 -10.852 -6.423 1.00 0.00 C ATOM 1072 O GLY A 70 16.648 -10.249 -6.936 1.00 0.00 O ATOM 0 H GLY A 70 14.523 -12.576 -3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.581 -10.845 -4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 70 16.354 -12.446 -5.144 1.00 0.00 H new ATOM 1076 N SER A 71 14.518 -10.977 -7.033 1.00 0.00 N ATOM 1077 CA SER A 71 14.228 -10.396 -8.337 1.00 0.00 C ATOM 1078 C SER A 71 14.434 -8.880 -8.357 1.00 0.00 C ATOM 1079 O SER A 71 15.039 -8.358 -9.296 1.00 0.00 O ATOM 1080 CB SER A 71 12.786 -10.713 -8.731 1.00 0.00 C ATOM 1081 OG SER A 71 12.521 -12.100 -8.631 1.00 0.00 O ATOM 0 H SER A 71 13.733 -11.488 -6.628 1.00 0.00 H new ATOM 0 HA SER A 71 14.925 -10.835 -9.050 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.101 -10.162 -8.087 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.603 -10.378 -9.752 1.00 0.00 H new ATOM 0 HG SER A 71 12.410 -12.477 -9.529 1.00 0.00 H new ATOM 1087 N ASP A 72 13.929 -8.176 -7.340 1.00 0.00 N ATOM 1088 CA ASP A 72 13.950 -6.722 -7.276 1.00 0.00 C ATOM 1089 C ASP A 72 13.674 -6.200 -5.876 1.00 0.00 C ATOM 1090 O ASP A 72 14.575 -5.678 -5.216 1.00 0.00 O ATOM 1091 CB ASP A 72 12.934 -6.130 -8.268 1.00 0.00 C ATOM 1092 CG ASP A 72 12.940 -4.593 -8.281 1.00 0.00 C ATOM 1093 OD1 ASP A 72 14.022 -3.972 -8.174 1.00 0.00 O ATOM 1094 OD2 ASP A 72 11.856 -3.989 -8.422 1.00 0.00 O ATOM 0 H ASP A 72 13.489 -8.611 -6.529 1.00 0.00 H new ATOM 0 HA ASP A 72 14.956 -6.404 -7.549 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.155 -6.498 -9.270 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.935 -6.483 -8.012 1.00 0.00 H new ATOM 1099 N LYS A 73 12.432 -6.356 -5.423 1.00 0.00 N ATOM 1100 CA LYS A 73 11.880 -5.666 -4.262 1.00 0.00 C ATOM 1101 C LYS A 73 10.709 -6.473 -3.705 1.00 0.00 C ATOM 1102 O LYS A 73 10.295 -7.472 -4.295 1.00 0.00 O ATOM 1103 CB LYS A 73 11.385 -4.283 -4.747 1.00 0.00 C ATOM 1104 CG LYS A 73 12.499 -3.254 -4.980 1.00 0.00 C ATOM 1105 CD LYS A 73 11.934 -1.893 -5.412 1.00 0.00 C ATOM 1106 CE LYS A 73 13.036 -0.986 -5.982 1.00 0.00 C ATOM 1107 NZ LYS A 73 13.416 -1.351 -7.372 1.00 0.00 N ATOM 0 H LYS A 73 11.763 -6.985 -5.868 1.00 0.00 H new ATOM 0 HA LYS A 73 12.627 -5.553 -3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.830 -4.415 -5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.686 -3.883 -4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.080 -3.133 -4.066 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.182 -3.624 -5.745 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.158 -2.041 -6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.464 -1.405 -4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.695 0.049 -5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.916 -1.044 -5.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.230 -0.777 -7.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.671 -2.359 -7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.614 -1.173 -8.009 1.00 0.00 H new ATOM 1121 N TYR A 74 10.132 -6.008 -2.601 1.00 0.00 N ATOM 1122 CA TYR A 74 8.928 -6.556 -1.996 1.00 0.00 C ATOM 1123 C TYR A 74 8.219 -5.438 -1.234 1.00 0.00 C ATOM 1124 O TYR A 74 8.808 -4.373 -1.012 1.00 0.00 O ATOM 1125 CB TYR A 74 9.314 -7.702 -1.054 1.00 0.00 C ATOM 1126 CG TYR A 74 10.050 -7.263 0.206 1.00 0.00 C ATOM 1127 CD1 TYR A 74 11.443 -7.053 0.184 1.00 0.00 C ATOM 1128 CD2 TYR A 74 9.332 -7.035 1.398 1.00 0.00 C ATOM 1129 CE1 TYR A 74 12.117 -6.634 1.345 1.00 0.00 C ATOM 1130 CE2 TYR A 74 9.997 -6.612 2.562 1.00 0.00 C ATOM 1131 CZ TYR A 74 11.398 -6.413 2.542 1.00 0.00 C ATOM 1132 OH TYR A 74 12.062 -6.010 3.662 1.00 0.00 O ATOM 0 H TYR A 74 10.506 -5.210 -2.087 1.00 0.00 H new ATOM 0 HA TYR A 74 8.256 -6.950 -2.758 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.410 -8.237 -0.764 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.941 -8.408 -1.599 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.996 -7.215 -0.729 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.263 -7.187 1.417 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.186 -6.481 1.322 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.439 -6.439 3.471 1.00 0.00 H new ATOM 0 HH TYR A 74 11.425 -5.901 4.399 1.00 0.00 H new ATOM 1142 N GLN A 75 6.977 -5.672 -0.809 1.00 0.00 N ATOM 1143 CA GLN A 75 6.266 -4.789 0.109 1.00 0.00 C ATOM 1144 C GLN A 75 5.190 -5.572 0.862 1.00 0.00 C ATOM 1145 O GLN A 75 4.738 -6.622 0.398 1.00 0.00 O ATOM 1146 CB GLN A 75 5.697 -3.563 -0.640 1.00 0.00 C ATOM 1147 CG GLN A 75 4.757 -3.877 -1.817 1.00 0.00 C ATOM 1148 CD GLN A 75 4.475 -2.655 -2.699 1.00 0.00 C ATOM 1149 OE1 GLN A 75 4.508 -1.508 -2.256 1.00 0.00 O ATOM 1150 NE2 GLN A 75 4.211 -2.864 -3.978 1.00 0.00 N ATOM 0 H GLN A 75 6.434 -6.487 -1.096 1.00 0.00 H new ATOM 0 HA GLN A 75 6.964 -4.402 0.851 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.158 -2.941 0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.531 -2.969 -1.014 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.198 -4.665 -2.427 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.815 -4.264 -1.429 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.184 -3.816 -4.344 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.035 -2.074 -4.598 1.00 0.00 H new ATOM 1159 N VAL A 76 4.770 -5.067 2.023 1.00 0.00 N ATOM 1160 CA VAL A 76 3.597 -5.582 2.716 1.00 0.00 C ATOM 1161 C VAL A 76 2.392 -5.214 1.847 1.00 0.00 C ATOM 1162 O VAL A 76 2.284 -4.077 1.378 1.00 0.00 O ATOM 1163 CB VAL A 76 3.499 -4.981 4.136 1.00 0.00 C ATOM 1164 CG1 VAL A 76 2.194 -5.372 4.846 1.00 0.00 C ATOM 1165 CG2 VAL A 76 4.676 -5.437 5.013 1.00 0.00 C ATOM 0 H VAL A 76 5.232 -4.295 2.503 1.00 0.00 H new ATOM 0 HA VAL A 76 3.647 -6.662 2.853 1.00 0.00 H new ATOM 0 HB VAL A 76 3.522 -3.899 4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.173 -4.925 5.840 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.343 -5.012 4.268 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.139 -6.457 4.935 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.581 -4.999 6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.670 -6.524 5.094 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.613 -5.112 4.561 1.00 0.00 H new ATOM 1175 N ASN A 77 1.478 -6.163 1.651 1.00 0.00 N ATOM 1176 CA ASN A 77 0.203 -5.923 0.978 1.00 0.00 C ATOM 1177 C ASN A 77 -0.841 -6.873 1.556 1.00 0.00 C ATOM 1178 O ASN A 77 -1.339 -7.776 0.886 1.00 0.00 O ATOM 1179 CB ASN A 77 0.331 -6.025 -0.551 1.00 0.00 C ATOM 1180 CG ASN A 77 -0.952 -5.593 -1.267 1.00 0.00 C ATOM 1181 OD1 ASN A 77 -1.944 -5.189 -0.661 1.00 0.00 O ATOM 1182 ND2 ASN A 77 -0.951 -5.628 -2.586 1.00 0.00 N ATOM 0 H ASN A 77 1.603 -7.128 1.957 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.122 -4.899 1.164 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.160 -5.403 -0.887 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.571 -7.052 -0.826 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.773 -5.320 -3.105 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.128 -5.963 -3.087 1.00 0.00 H new ATOM 1189 N ASN A 78 -1.101 -6.728 2.857 1.00 0.00 N ATOM 1190 CA ASN A 78 -2.178 -7.412 3.567 1.00 0.00 C ATOM 1191 C ASN A 78 -3.543 -6.987 3.017 1.00 0.00 C ATOM 1192 O ASN A 78 -4.192 -6.078 3.537 1.00 0.00 O ATOM 1193 CB ASN A 78 -2.060 -7.246 5.093 1.00 0.00 C ATOM 1194 CG ASN A 78 -1.691 -5.851 5.603 1.00 0.00 C ATOM 1195 OD1 ASN A 78 -1.950 -4.826 4.982 1.00 0.00 O ATOM 1196 ND2 ASN A 78 -0.998 -5.788 6.725 1.00 0.00 N ATOM 0 H ASN A 78 -0.552 -6.115 3.460 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.082 -8.482 3.384 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -3.011 -7.532 5.542 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.312 -7.951 5.456 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.677 -4.886 7.076 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.783 -6.642 7.240 1.00 0.00 H new ATOM 1203 N LYS A 79 -3.963 -7.669 1.945 1.00 0.00 N ATOM 1204 CA LYS A 79 -5.214 -7.448 1.222 1.00 0.00 C ATOM 1205 C LYS A 79 -6.369 -7.268 2.209 1.00 0.00 C ATOM 1206 O LYS A 79 -6.730 -8.212 2.915 1.00 0.00 O ATOM 1207 CB LYS A 79 -5.500 -8.636 0.281 1.00 0.00 C ATOM 1208 CG LYS A 79 -4.460 -8.898 -0.826 1.00 0.00 C ATOM 1209 CD LYS A 79 -4.402 -7.844 -1.945 1.00 0.00 C ATOM 1210 CE LYS A 79 -5.706 -7.661 -2.740 1.00 0.00 C ATOM 1211 NZ LYS A 79 -6.183 -8.911 -3.388 1.00 0.00 N ATOM 0 H LYS A 79 -3.411 -8.426 1.541 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.119 -6.541 0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.589 -9.538 0.887 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.468 -8.472 -0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.475 -8.967 -0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.671 -9.868 -1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.126 -6.886 -1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.607 -8.117 -2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.482 -7.289 -2.071 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.553 -6.900 -3.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.005 -8.699 -3.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.422 -9.311 -3.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.456 -9.598 -2.657 1.00 0.00 H new ATOM 1225 N HIS A 80 -6.944 -6.064 2.234 1.00 0.00 N ATOM 1226 CA HIS A 80 -8.113 -5.703 3.021 1.00 0.00 C ATOM 1227 C HIS A 80 -7.971 -6.043 4.501 1.00 0.00 C ATOM 1228 O HIS A 80 -8.952 -6.414 5.139 1.00 0.00 O ATOM 1229 CB HIS A 80 -9.396 -6.258 2.393 1.00 0.00 C ATOM 1230 CG HIS A 80 -9.566 -5.928 0.928 1.00 0.00 C ATOM 1231 ND1 HIS A 80 -9.648 -6.863 -0.111 1.00 0.00 N ATOM 1232 CD2 HIS A 80 -9.636 -4.670 0.400 1.00 0.00 C ATOM 1233 CE1 HIS A 80 -9.773 -6.141 -1.239 1.00 0.00 C ATOM 1234 NE2 HIS A 80 -9.768 -4.825 -0.961 1.00 0.00 N ATOM 0 H HIS A 80 -6.588 -5.284 1.681 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.191 -4.616 2.995 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.406 -7.341 2.513 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.253 -5.869 2.943 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.596 -3.738 0.944 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.865 -6.560 -2.230 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.848 -4.071 -1.643 1.00 0.00 H new ATOM 1242 N ASP A 81 -6.792 -5.827 5.089 1.00 0.00 N ATOM 1243 CA ASP A 81 -6.594 -5.863 6.549 1.00 0.00 C ATOM 1244 C ASP A 81 -7.561 -4.931 7.312 1.00 0.00 C ATOM 1245 O ASP A 81 -7.740 -5.048 8.523 1.00 0.00 O ATOM 1246 CB ASP A 81 -5.151 -5.442 6.851 1.00 0.00 C ATOM 1247 CG ASP A 81 -4.825 -5.485 8.350 1.00 0.00 C ATOM 1248 OD1 ASP A 81 -4.710 -6.609 8.889 1.00 0.00 O ATOM 1249 OD2 ASP A 81 -4.612 -4.416 8.966 1.00 0.00 O ATOM 0 H ASP A 81 -5.940 -5.621 4.567 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.798 -6.879 6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.465 -6.098 6.315 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.985 -4.432 6.476 1.00 0.00 H new ATOM 1254 N ASP A 82 -8.203 -4.008 6.590 1.00 0.00 N ATOM 1255 CA ASP A 82 -9.161 -3.026 7.098 1.00 0.00 C ATOM 1256 C ASP A 82 -10.567 -3.628 7.228 1.00 0.00 C ATOM 1257 O ASP A 82 -11.395 -3.108 7.977 1.00 0.00 O ATOM 1258 CB ASP A 82 -9.192 -1.842 6.120 1.00 0.00 C ATOM 1259 CG ASP A 82 -10.270 -0.802 6.465 1.00 0.00 C ATOM 1260 OD1 ASP A 82 -10.137 -0.102 7.495 1.00 0.00 O ATOM 1261 OD2 ASP A 82 -11.220 -0.641 5.664 1.00 0.00 O ATOM 0 H ASP A 82 -8.060 -3.923 5.584 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.850 -2.703 8.091 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.216 -1.357 6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.367 -2.216 5.111 1.00 0.00 H new ATOM 1266 N LYS A 83 -10.839 -4.732 6.518 1.00 0.00 N ATOM 1267 CA LYS A 83 -12.184 -5.291 6.353 1.00 0.00 C ATOM 1268 C LYS A 83 -12.230 -6.795 6.632 1.00 0.00 C ATOM 1269 O LYS A 83 -13.311 -7.326 6.887 1.00 0.00 O ATOM 1270 CB LYS A 83 -12.704 -5.002 4.928 1.00 0.00 C ATOM 1271 CG LYS A 83 -12.415 -3.578 4.443 1.00 0.00 C ATOM 1272 CD LYS A 83 -13.202 -3.254 3.171 1.00 0.00 C ATOM 1273 CE LYS A 83 -12.673 -1.969 2.529 1.00 0.00 C ATOM 1274 NZ LYS A 83 -12.834 -0.767 3.387 1.00 0.00 N ATOM 0 H LYS A 83 -10.118 -5.268 6.036 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.828 -4.807 7.087 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.251 -5.711 4.235 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.780 -5.174 4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.675 -2.865 5.226 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.348 -3.466 4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.121 -4.081 2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -14.260 -3.140 3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.617 -2.098 2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.192 -1.804 1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.566 0.082 2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.826 -0.687 3.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.223 -0.853 4.224 1.00 0.00 H new ATOM 1288 N TYR A 84 -11.080 -7.470 6.600 1.00 0.00 N ATOM 1289 CA TYR A 84 -10.948 -8.922 6.688 1.00 0.00 C ATOM 1290 C TYR A 84 -9.723 -9.280 7.545 1.00 0.00 C ATOM 1291 O TYR A 84 -9.165 -8.418 8.228 1.00 0.00 O ATOM 1292 CB TYR A 84 -10.889 -9.504 5.260 1.00 0.00 C ATOM 1293 CG TYR A 84 -12.203 -9.399 4.506 1.00 0.00 C ATOM 1294 CD1 TYR A 84 -13.284 -10.219 4.879 1.00 0.00 C ATOM 1295 CD2 TYR A 84 -12.359 -8.480 3.452 1.00 0.00 C ATOM 1296 CE1 TYR A 84 -14.513 -10.126 4.203 1.00 0.00 C ATOM 1297 CE2 TYR A 84 -13.585 -8.376 2.770 1.00 0.00 C ATOM 1298 CZ TYR A 84 -14.671 -9.203 3.144 1.00 0.00 C ATOM 1299 OH TYR A 84 -15.867 -9.121 2.496 1.00 0.00 O ATOM 0 H TYR A 84 -10.180 -6.999 6.508 1.00 0.00 H new ATOM 0 HA TYR A 84 -11.811 -9.367 7.184 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.114 -8.984 4.697 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -10.594 -10.552 5.316 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -13.169 -10.924 5.689 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -11.531 -7.849 3.164 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -15.337 -10.760 4.493 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -13.697 -7.667 1.963 1.00 0.00 H new ATOM 0 HH TYR A 84 -15.813 -8.439 1.795 1.00 0.00 H new ATOM 1309 N SER A 85 -9.318 -10.555 7.520 1.00 0.00 N ATOM 1310 CA SER A 85 -8.327 -11.145 8.424 1.00 0.00 C ATOM 1311 C SER A 85 -8.723 -10.994 9.904 1.00 0.00 C ATOM 1312 O SER A 85 -8.072 -10.261 10.652 1.00 0.00 O ATOM 1313 CB SER A 85 -6.921 -10.620 8.140 1.00 0.00 C ATOM 1314 OG SER A 85 -6.562 -10.748 6.769 1.00 0.00 O ATOM 0 H SER A 85 -9.685 -11.227 6.846 1.00 0.00 H new ATOM 0 HA SER A 85 -8.310 -12.216 8.223 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.861 -9.572 8.432 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.202 -11.163 8.753 1.00 0.00 H new ATOM 0 HG SER A 85 -6.680 -9.886 6.318 1.00 0.00 H new ATOM 1320 N PRO A 86 -9.781 -11.694 10.359 1.00 0.00 N ATOM 1321 CA PRO A 86 -10.166 -11.704 11.767 1.00 0.00 C ATOM 1322 C PRO A 86 -9.177 -12.455 12.662 1.00 0.00 C ATOM 1323 O PRO A 86 -9.217 -12.335 13.888 1.00 0.00 O ATOM 1324 CB PRO A 86 -11.544 -12.369 11.798 1.00 0.00 C ATOM 1325 CG PRO A 86 -11.513 -13.318 10.602 1.00 0.00 C ATOM 1326 CD PRO A 86 -10.648 -12.574 9.587 1.00 0.00 C ATOM 0 HA PRO A 86 -10.176 -10.689 12.164 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.709 -12.906 12.732 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.345 -11.635 11.707 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -11.083 -14.284 10.866 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.514 -13.510 10.214 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.062 -13.272 8.990 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.265 -12.002 8.894 1.00 0.00 H new ATOM 1334 N LEU A 87 -8.320 -13.265 12.047 1.00 0.00 N ATOM 1335 CA LEU A 87 -7.421 -14.182 12.724 1.00 0.00 C ATOM 1336 C LEU A 87 -6.272 -13.404 13.377 1.00 0.00 C ATOM 1337 O LEU A 87 -5.779 -12.447 12.771 1.00 0.00 O ATOM 1338 CB LEU A 87 -6.870 -15.169 11.687 1.00 0.00 C ATOM 1339 CG LEU A 87 -7.942 -15.966 10.921 1.00 0.00 C ATOM 1340 CD1 LEU A 87 -7.251 -16.933 9.955 1.00 0.00 C ATOM 1341 CD2 LEU A 87 -8.864 -16.767 11.850 1.00 0.00 C ATOM 0 H LEU A 87 -8.233 -13.299 11.031 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.955 -14.723 13.506 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.264 -14.618 10.968 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.206 -15.871 12.191 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.561 -15.246 10.386 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.004 -17.501 9.409 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.640 -16.369 9.250 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.617 -17.618 10.518 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.599 -17.308 11.255 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.271 -17.476 12.428 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.377 -16.086 12.529 1.00 0.00 H new ATOM 1353 N PRO A 88 -5.807 -13.800 14.573 1.00 0.00 N ATOM 1354 CA PRO A 88 -4.610 -13.226 15.171 1.00 0.00 C ATOM 1355 C PRO A 88 -3.368 -13.733 14.427 1.00 0.00 C ATOM 1356 O PRO A 88 -3.369 -14.836 13.866 1.00 0.00 O ATOM 1357 CB PRO A 88 -4.635 -13.683 16.630 1.00 0.00 C ATOM 1358 CG PRO A 88 -5.325 -15.044 16.549 1.00 0.00 C ATOM 1359 CD PRO A 88 -6.338 -14.859 15.420 1.00 0.00 C ATOM 0 HA PRO A 88 -4.579 -12.138 15.109 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.631 -13.763 17.046 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.187 -12.987 17.262 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.616 -15.842 16.327 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.813 -15.304 17.488 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.466 -15.783 14.856 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.317 -14.589 15.815 1.00 0.00 H new ATOM 1367 N CYS A 89 -2.287 -12.948 14.464 1.00 0.00 N ATOM 1368 CA CYS A 89 -1.038 -13.284 13.787 1.00 0.00 C ATOM 1369 C CYS A 89 -0.508 -14.652 14.217 1.00 0.00 C ATOM 1370 O CYS A 89 0.031 -15.372 13.380 1.00 0.00 O ATOM 1371 CB CYS A 89 0.014 -12.196 14.035 1.00 0.00 C ATOM 1372 SG CYS A 89 -0.578 -10.595 13.408 1.00 0.00 S ATOM 0 H CYS A 89 -2.257 -12.061 14.966 1.00 0.00 H new ATOM 0 HA CYS A 89 -1.247 -13.337 12.718 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.226 -12.121 15.102 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.949 -12.465 13.542 1.00 0.00 H new ATOM 0 HG CYS A 89 0.322 -9.683 13.627 1.00 0.00 H new ATOM 1378 N SER A 90 -0.696 -15.036 15.482 1.00 0.00 N ATOM 1379 CA SER A 90 -0.288 -16.329 16.011 1.00 0.00 C ATOM 1380 C SER A 90 -0.840 -17.466 15.152 1.00 0.00 C ATOM 1381 O SER A 90 -0.074 -18.213 14.550 1.00 0.00 O ATOM 1382 CB SER A 90 -0.748 -16.425 17.472 1.00 0.00 C ATOM 1383 OG SER A 90 -2.083 -15.953 17.608 1.00 0.00 O ATOM 0 H SER A 90 -1.146 -14.441 16.177 1.00 0.00 H new ATOM 0 HA SER A 90 0.797 -16.423 15.981 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.686 -17.459 17.811 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.083 -15.840 18.108 1.00 0.00 H new ATOM 0 HG SER A 90 -2.361 -16.023 18.545 1.00 0.00 H new ATOM 1389 N LYS A 91 -2.164 -17.560 15.036 1.00 0.00 N ATOM 1390 CA LYS A 91 -2.859 -18.592 14.269 1.00 0.00 C ATOM 1391 C LYS A 91 -2.489 -18.534 12.790 1.00 0.00 C ATOM 1392 O LYS A 91 -2.327 -19.587 12.176 1.00 0.00 O ATOM 1393 CB LYS A 91 -4.384 -18.455 14.442 1.00 0.00 C ATOM 1394 CG LYS A 91 -4.893 -18.718 15.871 1.00 0.00 C ATOM 1395 CD LYS A 91 -4.710 -20.173 16.330 1.00 0.00 C ATOM 1396 CE LYS A 91 -5.361 -20.365 17.708 1.00 0.00 C ATOM 1397 NZ LYS A 91 -5.231 -21.758 18.207 1.00 0.00 N ATOM 0 H LYS A 91 -2.800 -16.902 15.486 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.543 -19.561 14.656 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.681 -17.450 14.144 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.877 -19.149 13.761 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.368 -18.059 16.562 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.950 -18.459 15.925 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.160 -20.852 15.606 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.649 -20.418 16.381 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.901 -19.682 18.422 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.417 -20.101 17.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.685 -21.837 19.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.692 -22.410 17.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.224 -22.004 18.291 1.00 0.00 H new ATOM 1411 N ILE A 92 -2.329 -17.338 12.219 1.00 0.00 N ATOM 1412 CA ILE A 92 -1.933 -17.188 10.821 1.00 0.00 C ATOM 1413 C ILE A 92 -0.575 -17.881 10.618 1.00 0.00 C ATOM 1414 O ILE A 92 -0.440 -18.732 9.736 1.00 0.00 O ATOM 1415 CB ILE A 92 -1.923 -15.688 10.436 1.00 0.00 C ATOM 1416 CG1 ILE A 92 -3.352 -15.099 10.509 1.00 0.00 C ATOM 1417 CG2 ILE A 92 -1.344 -15.486 9.022 1.00 0.00 C ATOM 1418 CD1 ILE A 92 -3.391 -13.565 10.562 1.00 0.00 C ATOM 0 H ILE A 92 -2.469 -16.455 12.709 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.649 -17.669 10.154 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.287 -15.164 11.149 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.919 -15.437 9.641 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.853 -15.496 11.392 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.348 -14.424 8.775 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.321 -15.862 8.990 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.953 -16.029 8.299 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.427 -13.229 10.612 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.854 -13.218 11.445 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.920 -13.158 9.667 1.00 0.00 H new ATOM 1430 N ILE A 93 0.414 -17.556 11.455 1.00 0.00 N ATOM 1431 CA ILE A 93 1.759 -18.106 11.366 1.00 0.00 C ATOM 1432 C ILE A 93 1.709 -19.608 11.651 1.00 0.00 C ATOM 1433 O ILE A 93 2.323 -20.383 10.922 1.00 0.00 O ATOM 1434 CB ILE A 93 2.687 -17.351 12.347 1.00 0.00 C ATOM 1435 CG1 ILE A 93 2.796 -15.860 11.964 1.00 0.00 C ATOM 1436 CG2 ILE A 93 4.093 -17.965 12.375 1.00 0.00 C ATOM 1437 CD1 ILE A 93 3.334 -14.992 13.108 1.00 0.00 C ATOM 0 H ILE A 93 0.296 -16.894 12.222 1.00 0.00 H new ATOM 0 HA ILE A 93 2.165 -17.974 10.363 1.00 0.00 H new ATOM 0 HB ILE A 93 2.243 -17.440 13.338 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.450 -15.759 11.098 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.814 -15.493 11.666 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.718 -17.410 13.074 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.029 -19.006 12.692 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.531 -17.916 11.378 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.389 -13.953 12.782 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.667 -15.068 13.967 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.329 -15.337 13.390 1.00 0.00 H new ATOM 1449 N GLN A 94 0.964 -20.025 12.680 1.00 0.00 N ATOM 1450 CA GLN A 94 0.876 -21.427 13.084 1.00 0.00 C ATOM 1451 C GLN A 94 0.355 -22.281 11.919 1.00 0.00 C ATOM 1452 O GLN A 94 0.892 -23.353 11.636 1.00 0.00 O ATOM 1453 CB GLN A 94 0.113 -21.590 14.423 1.00 0.00 C ATOM 1454 CG GLN A 94 -1.332 -22.114 14.380 1.00 0.00 C ATOM 1455 CD GLN A 94 -1.458 -23.613 14.080 1.00 0.00 C ATOM 1456 OE1 GLN A 94 -0.729 -24.444 14.615 1.00 0.00 O ATOM 1457 NE2 GLN A 94 -2.390 -23.995 13.220 1.00 0.00 N ATOM 0 H GLN A 94 0.405 -19.396 13.256 1.00 0.00 H new ATOM 0 HA GLN A 94 1.872 -21.811 13.305 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.692 -22.263 15.056 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.100 -20.619 14.918 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -1.808 -21.907 15.338 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -1.884 -21.557 13.623 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.992 -23.300 12.779 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.505 -24.984 12.999 1.00 0.00 H new ATOM 1466 N ARG A 95 -0.665 -21.792 11.202 1.00 0.00 N ATOM 1467 CA ARG A 95 -1.195 -22.499 10.045 1.00 0.00 C ATOM 1468 C ARG A 95 -0.159 -22.495 8.925 1.00 0.00 C ATOM 1469 O ARG A 95 0.111 -23.554 8.366 1.00 0.00 O ATOM 1470 CB ARG A 95 -2.538 -21.886 9.639 1.00 0.00 C ATOM 1471 CG ARG A 95 -3.263 -22.758 8.599 1.00 0.00 C ATOM 1472 CD ARG A 95 -4.784 -22.659 8.740 1.00 0.00 C ATOM 1473 NE ARG A 95 -5.266 -21.273 8.576 1.00 0.00 N ATOM 1474 CZ ARG A 95 -6.193 -20.839 7.713 1.00 0.00 C ATOM 1475 NH1 ARG A 95 -6.889 -21.668 6.940 1.00 0.00 N ATOM 1476 NH2 ARG A 95 -6.413 -19.537 7.607 1.00 0.00 N ATOM 0 H ARG A 95 -1.134 -20.910 11.408 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.390 -23.544 10.286 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -3.168 -21.770 10.521 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.375 -20.889 9.230 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -2.969 -22.448 7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -2.953 -23.797 8.715 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -5.259 -23.298 7.996 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.082 -23.033 9.719 1.00 0.00 H new ATOM 0 HE ARG A 95 -4.848 -20.571 9.186 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.725 -22.673 6.993 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.587 -21.298 6.295 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -5.880 -18.881 8.178 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -7.116 -19.190 6.954 1.00 0.00 H new ATOM 1490 N ALA A 96 0.467 -21.349 8.641 1.00 0.00 N ATOM 1491 CA ALA A 96 1.509 -21.255 7.627 1.00 0.00 C ATOM 1492 C ALA A 96 2.582 -22.323 7.848 1.00 0.00 C ATOM 1493 O ALA A 96 2.900 -23.078 6.932 1.00 0.00 O ATOM 1494 CB ALA A 96 2.121 -19.846 7.610 1.00 0.00 C ATOM 0 H ALA A 96 0.263 -20.466 9.109 1.00 0.00 H new ATOM 0 HA ALA A 96 1.057 -21.437 6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.897 -19.796 6.846 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.344 -19.115 7.387 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.556 -19.627 8.585 1.00 0.00 H new ATOM 1500 N GLU A 97 3.104 -22.431 9.069 1.00 0.00 N ATOM 1501 CA GLU A 97 4.191 -23.352 9.368 1.00 0.00 C ATOM 1502 C GLU A 97 3.731 -24.814 9.448 1.00 0.00 C ATOM 1503 O GLU A 97 4.562 -25.705 9.285 1.00 0.00 O ATOM 1504 CB GLU A 97 4.987 -22.917 10.611 1.00 0.00 C ATOM 1505 CG GLU A 97 4.258 -23.128 11.942 1.00 0.00 C ATOM 1506 CD GLU A 97 5.141 -22.751 13.145 1.00 0.00 C ATOM 1507 OE1 GLU A 97 6.003 -23.567 13.548 1.00 0.00 O ATOM 1508 OE2 GLU A 97 4.971 -21.653 13.718 1.00 0.00 O ATOM 0 H GLU A 97 2.786 -21.886 9.870 1.00 0.00 H new ATOM 0 HA GLU A 97 4.876 -23.304 8.521 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.927 -23.468 10.635 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.239 -21.861 10.513 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.348 -22.528 11.957 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.953 -24.171 12.028 1.00 0.00 H new ATOM 1515 N GLU A 98 2.437 -25.099 9.651 1.00 0.00 N ATOM 1516 CA GLU A 98 1.918 -26.452 9.613 1.00 0.00 C ATOM 1517 C GLU A 98 1.918 -26.944 8.159 1.00 0.00 C ATOM 1518 O GLU A 98 2.045 -28.142 7.892 1.00 0.00 O ATOM 1519 CB GLU A 98 0.522 -26.413 10.261 1.00 0.00 C ATOM 1520 CG GLU A 98 -0.418 -27.558 9.888 1.00 0.00 C ATOM 1521 CD GLU A 98 0.071 -28.968 10.283 1.00 0.00 C ATOM 1522 OE1 GLU A 98 0.889 -29.119 11.218 1.00 0.00 O ATOM 1523 OE2 GLU A 98 -0.413 -29.956 9.686 1.00 0.00 O ATOM 0 H GLU A 98 1.730 -24.390 9.845 1.00 0.00 H new ATOM 0 HA GLU A 98 2.529 -27.162 10.170 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.645 -26.408 11.344 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.043 -25.472 9.990 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.385 -27.381 10.360 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.581 -27.536 8.810 1.00 0.00 H new ATOM 1530 N LEU A 99 1.791 -26.013 7.211 1.00 0.00 N ATOM 1531 CA LEU A 99 1.667 -26.307 5.792 1.00 0.00 C ATOM 1532 C LEU A 99 3.029 -26.402 5.110 1.00 0.00 C ATOM 1533 O LEU A 99 3.103 -26.960 4.020 1.00 0.00 O ATOM 1534 CB LEU A 99 0.780 -25.240 5.135 1.00 0.00 C ATOM 1535 CG LEU A 99 -0.646 -25.229 5.724 1.00 0.00 C ATOM 1536 CD1 LEU A 99 -1.344 -23.929 5.340 1.00 0.00 C ATOM 1537 CD2 LEU A 99 -1.490 -26.409 5.229 1.00 0.00 C ATOM 0 H LEU A 99 1.772 -25.015 7.418 1.00 0.00 H new ATOM 0 HA LEU A 99 1.199 -27.284 5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.235 -24.258 5.269 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.727 -25.423 4.062 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.551 -25.315 6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.352 -23.920 5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.781 -23.083 5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.399 -23.853 4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.485 -26.356 5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.574 -26.366 4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.013 -27.345 5.520 1.00 0.00 H new ATOM 1549 N VAL A 100 4.109 -25.908 5.720 1.00 0.00 N ATOM 1550 CA VAL A 100 5.463 -26.075 5.194 1.00 0.00 C ATOM 1551 C VAL A 100 5.733 -27.570 4.983 1.00 0.00 C ATOM 1552 O VAL A 100 5.509 -28.387 5.880 1.00 0.00 O ATOM 1553 CB VAL A 100 6.482 -25.403 6.140 1.00 0.00 C ATOM 1554 CG1 VAL A 100 7.943 -25.685 5.759 1.00 0.00 C ATOM 1555 CG2 VAL A 100 6.288 -23.882 6.125 1.00 0.00 C ATOM 0 H VAL A 100 4.068 -25.381 6.592 1.00 0.00 H new ATOM 0 HA VAL A 100 5.567 -25.582 4.227 1.00 0.00 H new ATOM 0 HB VAL A 100 6.295 -25.826 7.127 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.606 -25.184 6.464 1.00 0.00 H new ATOM 0 HG12 VAL A 100 8.126 -26.759 5.790 1.00 0.00 H new ATOM 0 HG13 VAL A 100 8.135 -25.313 4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 100 7.011 -23.416 6.795 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.437 -23.506 5.113 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.278 -23.641 6.457 1.00 0.00 H new ATOM 1565 N GLY A 101 6.208 -27.919 3.785 1.00 0.00 N ATOM 1566 CA GLY A 101 6.512 -29.284 3.389 1.00 0.00 C ATOM 1567 C GLY A 101 5.302 -30.023 2.813 1.00 0.00 C ATOM 1568 O GLY A 101 5.465 -31.170 2.389 1.00 0.00 O ATOM 0 H GLY A 101 6.394 -27.238 3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.310 -29.272 2.647 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.888 -29.832 4.253 1.00 0.00 H new ATOM 1572 N GLN A 102 4.107 -29.416 2.785 1.00 0.00 N ATOM 1573 CA GLN A 102 2.944 -30.019 2.145 1.00 0.00 C ATOM 1574 C GLN A 102 2.972 -29.710 0.653 1.00 0.00 C ATOM 1575 O GLN A 102 3.690 -28.819 0.186 1.00 0.00 O ATOM 1576 CB GLN A 102 1.625 -29.591 2.816 1.00 0.00 C ATOM 1577 CG GLN A 102 1.563 -30.193 4.227 1.00 0.00 C ATOM 1578 CD GLN A 102 0.215 -30.011 4.931 1.00 0.00 C ATOM 1579 OE1 GLN A 102 -0.847 -30.236 4.354 1.00 0.00 O ATOM 1580 NE2 GLN A 102 0.212 -29.633 6.200 1.00 0.00 N ATOM 0 H GLN A 102 3.927 -28.503 3.202 1.00 0.00 H new ATOM 0 HA GLN A 102 2.993 -31.101 2.271 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.564 -28.504 2.868 1.00 0.00 H new ATOM 0 HB3 GLN A 102 0.775 -29.930 2.224 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.786 -31.258 4.165 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.343 -29.739 4.838 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.093 -29.446 6.679 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.671 -29.528 6.699 1.00 0.00 H new ATOM 1589 N GLU A 103 2.169 -30.461 -0.094 1.00 0.00 N ATOM 1590 CA GLU A 103 2.213 -30.497 -1.549 1.00 0.00 C ATOM 1591 C GLU A 103 0.839 -30.151 -2.116 1.00 0.00 C ATOM 1592 O GLU A 103 -0.185 -30.475 -1.506 1.00 0.00 O ATOM 1593 CB GLU A 103 2.658 -31.891 -2.028 1.00 0.00 C ATOM 1594 CG GLU A 103 3.983 -32.377 -1.415 1.00 0.00 C ATOM 1595 CD GLU A 103 4.423 -33.721 -2.021 1.00 0.00 C ATOM 1596 OE1 GLU A 103 3.998 -34.789 -1.520 1.00 0.00 O ATOM 1597 OE2 GLU A 103 5.214 -33.732 -2.991 1.00 0.00 O ATOM 0 H GLU A 103 1.456 -31.073 0.304 1.00 0.00 H new ATOM 0 HA GLU A 103 2.934 -29.762 -1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.875 -32.611 -1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.757 -31.875 -3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.759 -31.630 -1.582 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.869 -32.483 -0.336 1.00 0.00 H new ATOM 1604 N VAL A 104 0.815 -29.521 -3.293 1.00 0.00 N ATOM 1605 CA VAL A 104 -0.400 -29.113 -3.977 1.00 0.00 C ATOM 1606 C VAL A 104 -0.339 -29.478 -5.468 1.00 0.00 C ATOM 1607 O VAL A 104 0.730 -29.689 -6.046 1.00 0.00 O ATOM 1608 CB VAL A 104 -0.659 -27.612 -3.746 1.00 0.00 C ATOM 1609 CG1 VAL A 104 -1.014 -27.291 -2.286 1.00 0.00 C ATOM 1610 CG2 VAL A 104 0.478 -26.694 -4.198 1.00 0.00 C ATOM 0 H VAL A 104 1.664 -29.278 -3.804 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.246 -29.658 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.518 -27.403 -4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.186 -26.220 -2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.916 -27.833 -2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.192 -27.592 -1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.210 -25.657 -3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.387 -26.946 -3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.648 -26.825 -5.267 1.00 0.00 H new ATOM 1620 N LEU A 105 -1.509 -29.518 -6.111 1.00 0.00 N ATOM 1621 CA LEU A 105 -1.699 -30.073 -7.452 1.00 0.00 C ATOM 1622 C LEU A 105 -2.069 -28.983 -8.466 1.00 0.00 C ATOM 1623 O LEU A 105 -2.841 -29.188 -9.405 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.770 -31.175 -7.354 1.00 0.00 C ATOM 1625 CG LEU A 105 -2.446 -32.498 -8.075 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -2.052 -32.331 -9.547 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -1.351 -33.261 -7.318 1.00 0.00 C ATOM 0 H LEU A 105 -2.371 -29.156 -5.703 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.768 -30.505 -7.820 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.944 -31.392 -6.300 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.704 -30.783 -7.758 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.373 -33.071 -8.076 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.840 -33.309 -9.980 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.871 -31.862 -10.092 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.164 -31.703 -9.617 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.132 -34.194 -7.838 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.449 -32.651 -7.271 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.694 -33.481 -6.307 1.00 0.00 H new ATOM 1639 N TYR A 106 -1.535 -27.794 -8.224 1.00 0.00 N ATOM 1640 CA TYR A 106 -1.575 -26.656 -9.130 1.00 0.00 C ATOM 1641 C TYR A 106 -0.180 -26.045 -9.233 1.00 0.00 C ATOM 1642 O TYR A 106 0.588 -26.068 -8.271 1.00 0.00 O ATOM 1643 CB TYR A 106 -2.622 -25.633 -8.661 1.00 0.00 C ATOM 1644 CG TYR A 106 -2.474 -25.125 -7.232 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -1.480 -24.181 -6.908 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -3.350 -25.581 -6.226 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -1.358 -23.694 -5.595 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -3.242 -25.092 -4.912 1.00 0.00 C ATOM 1649 CZ TYR A 106 -2.244 -24.143 -4.589 1.00 0.00 C ATOM 1650 OH TYR A 106 -2.123 -23.658 -3.322 1.00 0.00 O ATOM 0 H TYR A 106 -1.042 -27.588 -7.355 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.876 -26.984 -10.125 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.589 -24.776 -9.334 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -3.610 -26.082 -8.764 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.806 -23.828 -7.675 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.109 -26.311 -6.466 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.587 -22.977 -5.355 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -3.922 -25.441 -4.149 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.807 -24.065 -2.749 1.00 0.00 H new ATOM 1660 N LYS A 107 0.152 -25.506 -10.405 1.00 0.00 N ATOM 1661 CA LYS A 107 1.389 -24.836 -10.729 1.00 0.00 C ATOM 1662 C LYS A 107 1.524 -23.519 -9.982 1.00 0.00 C ATOM 1663 O LYS A 107 0.538 -22.948 -9.508 1.00 0.00 O ATOM 1664 CB LYS A 107 1.321 -24.512 -12.235 1.00 0.00 C ATOM 1665 CG LYS A 107 2.693 -24.574 -12.895 1.00 0.00 C ATOM 1666 CD LYS A 107 2.679 -24.236 -14.394 1.00 0.00 C ATOM 1667 CE LYS A 107 1.882 -25.258 -15.221 1.00 0.00 C ATOM 1668 NZ LYS A 107 1.907 -24.946 -16.674 1.00 0.00 N ATOM 0 H LYS A 107 -0.486 -25.533 -11.200 1.00 0.00 H new ATOM 0 HA LYS A 107 2.232 -25.472 -10.458 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.650 -25.216 -12.727 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.897 -23.517 -12.373 1.00 0.00 H new ATOM 0 HG2 LYS A 107 3.363 -23.883 -12.383 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.104 -25.575 -12.762 1.00 0.00 H new ATOM 0 HD2 LYS A 107 2.249 -23.244 -14.535 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.704 -24.195 -14.763 1.00 0.00 H new ATOM 0 HE2 LYS A 107 2.293 -26.254 -15.058 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.849 -25.278 -14.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.357 -25.661 -17.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 1.491 -24.006 -16.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 2.890 -24.952 -17.014 1.00 0.00 H new ATOM 1682 N LEU A 108 2.736 -22.972 -9.985 1.00 0.00 N ATOM 1683 CA LEU A 108 2.952 -21.607 -9.546 1.00 0.00 C ATOM 1684 C LEU A 108 2.332 -20.659 -10.563 1.00 0.00 C ATOM 1685 O LEU A 108 2.646 -20.726 -11.753 1.00 0.00 O ATOM 1686 CB LEU A 108 4.450 -21.288 -9.417 1.00 0.00 C ATOM 1687 CG LEU A 108 5.214 -22.178 -8.427 1.00 0.00 C ATOM 1688 CD1 LEU A 108 6.600 -21.581 -8.185 1.00 0.00 C ATOM 1689 CD2 LEU A 108 4.464 -22.316 -7.104 1.00 0.00 C ATOM 0 H LEU A 108 3.581 -23.457 -10.288 1.00 0.00 H new ATOM 0 HA LEU A 108 2.490 -21.484 -8.566 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.913 -21.381 -10.399 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.561 -20.248 -9.109 1.00 0.00 H new ATOM 0 HG LEU A 108 5.307 -23.175 -8.857 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.149 -22.208 -7.482 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.144 -21.531 -9.128 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.497 -20.578 -7.772 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.034 -22.953 -6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 108 4.336 -21.332 -6.654 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.486 -22.762 -7.285 1.00 0.00 H new ATOM 1701 N THR A 109 1.496 -19.756 -10.071 1.00 0.00 N ATOM 1702 CA THR A 109 1.003 -18.587 -10.775 1.00 0.00 C ATOM 1703 C THR A 109 0.911 -17.520 -9.687 1.00 0.00 C ATOM 1704 O THR A 109 0.688 -17.844 -8.514 1.00 0.00 O ATOM 1705 CB THR A 109 -0.359 -18.818 -11.467 1.00 0.00 C ATOM 1706 OG1 THR A 109 -1.375 -19.095 -10.527 1.00 0.00 O ATOM 1707 CG2 THR A 109 -0.339 -19.951 -12.498 1.00 0.00 C ATOM 0 H THR A 109 1.126 -19.825 -9.123 1.00 0.00 H new ATOM 0 HA THR A 109 1.662 -18.306 -11.596 1.00 0.00 H new ATOM 0 HB THR A 109 -0.567 -17.885 -11.990 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.114 -18.463 -10.649 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.329 -20.056 -12.943 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.387 -19.721 -13.278 1.00 0.00 H new ATOM 0 HG23 THR A 109 -0.061 -20.884 -12.008 1.00 0.00 H new ATOM 1715 N SER A 110 1.054 -16.250 -10.056 1.00 0.00 N ATOM 1716 CA SER A 110 0.903 -15.151 -9.117 1.00 0.00 C ATOM 1717 C SER A 110 -0.457 -15.217 -8.411 1.00 0.00 C ATOM 1718 O SER A 110 -0.544 -14.938 -7.215 1.00 0.00 O ATOM 1719 CB SER A 110 1.057 -13.846 -9.895 1.00 0.00 C ATOM 1720 OG SER A 110 2.248 -13.848 -10.656 1.00 0.00 O ATOM 0 H SER A 110 1.276 -15.959 -11.008 1.00 0.00 H new ATOM 0 HA SER A 110 1.665 -15.213 -8.340 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.200 -13.708 -10.554 1.00 0.00 H new ATOM 0 HB3 SER A 110 1.065 -13.004 -9.203 1.00 0.00 H new ATOM 0 HG SER A 110 2.947 -13.363 -10.170 1.00 0.00 H new ATOM 1726 N GLU A 111 -1.505 -15.639 -9.131 1.00 0.00 N ATOM 1727 CA GLU A 111 -2.852 -15.727 -8.584 1.00 0.00 C ATOM 1728 C GLU A 111 -2.955 -16.890 -7.591 1.00 0.00 C ATOM 1729 O GLU A 111 -3.572 -16.730 -6.539 1.00 0.00 O ATOM 1730 CB GLU A 111 -3.894 -15.878 -9.708 1.00 0.00 C ATOM 1731 CG GLU A 111 -3.692 -14.974 -10.941 1.00 0.00 C ATOM 1732 CD GLU A 111 -3.388 -13.498 -10.625 1.00 0.00 C ATOM 1733 OE1 GLU A 111 -4.022 -12.890 -9.734 1.00 0.00 O ATOM 1734 OE2 GLU A 111 -2.499 -12.915 -11.282 1.00 0.00 O ATOM 0 H GLU A 111 -1.436 -15.927 -10.107 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.063 -14.800 -8.051 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.894 -16.916 -10.039 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.881 -15.676 -9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.874 -15.378 -11.538 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -4.590 -15.020 -11.557 1.00 0.00 H new ATOM 1741 N ASN A 112 -2.334 -18.043 -7.878 1.00 0.00 N ATOM 1742 CA ASN A 112 -2.366 -19.195 -6.974 1.00 0.00 C ATOM 1743 C ASN A 112 -1.632 -18.869 -5.678 1.00 0.00 C ATOM 1744 O ASN A 112 -2.113 -19.227 -4.602 1.00 0.00 O ATOM 1745 CB ASN A 112 -1.753 -20.454 -7.618 1.00 0.00 C ATOM 1746 CG ASN A 112 -2.686 -21.170 -8.597 1.00 0.00 C ATOM 1747 OD1 ASN A 112 -3.901 -20.985 -8.587 1.00 0.00 O ATOM 1748 ND2 ASN A 112 -2.152 -22.023 -9.458 1.00 0.00 N ATOM 0 H ASN A 112 -1.802 -18.200 -8.734 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.413 -19.408 -6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -0.839 -20.173 -8.142 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.467 -21.150 -6.830 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.749 -22.527 -10.114 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.144 -22.176 -9.466 1.00 0.00 H new ATOM 1755 N CYS A 113 -0.492 -18.173 -5.758 1.00 0.00 N ATOM 1756 CA CYS A 113 0.236 -17.762 -4.567 1.00 0.00 C ATOM 1757 C CYS A 113 -0.601 -16.769 -3.755 1.00 0.00 C ATOM 1758 O CYS A 113 -0.707 -16.932 -2.540 1.00 0.00 O ATOM 1759 CB CYS A 113 1.590 -17.156 -4.946 1.00 0.00 C ATOM 1760 SG CYS A 113 2.565 -18.368 -5.886 1.00 0.00 S ATOM 0 H CYS A 113 -0.060 -17.886 -6.636 1.00 0.00 H new ATOM 0 HA CYS A 113 0.423 -18.640 -3.949 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.442 -16.255 -5.541 1.00 0.00 H new ATOM 0 HB3 CYS A 113 2.130 -16.859 -4.047 1.00 0.00 H new ATOM 0 HG CYS A 113 2.093 -18.462 -7.094 1.00 0.00 H new ATOM 1766 N GLU A 114 -1.216 -15.774 -4.411 1.00 0.00 N ATOM 1767 CA GLU A 114 -2.042 -14.772 -3.737 1.00 0.00 C ATOM 1768 C GLU A 114 -3.206 -15.450 -3.012 1.00 0.00 C ATOM 1769 O GLU A 114 -3.483 -15.144 -1.849 1.00 0.00 O ATOM 1770 CB GLU A 114 -2.562 -13.732 -4.747 1.00 0.00 C ATOM 1771 CG GLU A 114 -3.140 -12.500 -4.029 1.00 0.00 C ATOM 1772 CD GLU A 114 -3.444 -11.307 -4.959 1.00 0.00 C ATOM 1773 OE1 GLU A 114 -2.676 -11.037 -5.914 1.00 0.00 O ATOM 1774 OE2 GLU A 114 -4.455 -10.609 -4.711 1.00 0.00 O ATOM 0 H GLU A 114 -1.153 -15.645 -5.421 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.430 -14.253 -3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.751 -13.424 -5.407 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.330 -14.184 -5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.058 -12.790 -3.517 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -2.436 -12.177 -3.262 1.00 0.00 H new ATOM 1781 N HIS A 115 -3.861 -16.392 -3.694 1.00 0.00 N ATOM 1782 CA HIS A 115 -4.985 -17.153 -3.177 1.00 0.00 C ATOM 1783 C HIS A 115 -4.559 -17.915 -1.928 1.00 0.00 C ATOM 1784 O HIS A 115 -5.216 -17.797 -0.895 1.00 0.00 O ATOM 1785 CB HIS A 115 -5.500 -18.091 -4.280 1.00 0.00 C ATOM 1786 CG HIS A 115 -6.614 -19.007 -3.838 1.00 0.00 C ATOM 1787 ND1 HIS A 115 -7.981 -18.782 -4.037 1.00 0.00 N ATOM 1788 CD2 HIS A 115 -6.449 -20.207 -3.207 1.00 0.00 C ATOM 1789 CE1 HIS A 115 -8.605 -19.849 -3.504 1.00 0.00 C ATOM 1790 NE2 HIS A 115 -7.709 -20.715 -2.997 1.00 0.00 N ATOM 0 H HIS A 115 -3.611 -16.649 -4.649 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.799 -16.488 -2.889 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -5.850 -17.490 -5.119 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -4.670 -18.696 -4.645 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -5.512 -20.667 -2.928 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -9.676 -19.990 -3.486 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -7.927 -21.598 -2.535 1.00 0.00 H new ATOM 1798 N PHE A 116 -3.444 -18.652 -1.989 1.00 0.00 N ATOM 1799 CA PHE A 116 -2.977 -19.441 -0.860 1.00 0.00 C ATOM 1800 C PHE A 116 -2.705 -18.565 0.355 1.00 0.00 C ATOM 1801 O PHE A 116 -3.223 -18.849 1.433 1.00 0.00 O ATOM 1802 CB PHE A 116 -1.726 -20.237 -1.247 1.00 0.00 C ATOM 1803 CG PHE A 116 -1.009 -20.859 -0.059 1.00 0.00 C ATOM 1804 CD1 PHE A 116 -1.386 -22.126 0.425 1.00 0.00 C ATOM 1805 CD2 PHE A 116 0.052 -20.168 0.560 1.00 0.00 C ATOM 1806 CE1 PHE A 116 -0.702 -22.696 1.515 1.00 0.00 C ATOM 1807 CE2 PHE A 116 0.725 -20.727 1.659 1.00 0.00 C ATOM 1808 CZ PHE A 116 0.351 -21.996 2.134 1.00 0.00 C ATOM 0 H PHE A 116 -2.850 -18.714 -2.816 1.00 0.00 H new ATOM 0 HA PHE A 116 -3.767 -20.142 -0.590 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.009 -21.026 -1.944 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.035 -19.579 -1.774 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -2.201 -22.661 -0.040 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.350 -19.200 0.186 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -0.986 -23.673 1.878 1.00 0.00 H new ATOM 0 HE2 PHE A 116 1.527 -20.184 2.137 1.00 0.00 H new ATOM 0 HZ PHE A 116 0.871 -22.434 2.973 1.00 0.00 H new ATOM 1818 N VAL A 117 -1.911 -17.504 0.211 1.00 0.00 N ATOM 1819 CA VAL A 117 -1.564 -16.696 1.379 1.00 0.00 C ATOM 1820 C VAL A 117 -2.814 -16.012 1.965 1.00 0.00 C ATOM 1821 O VAL A 117 -2.921 -15.873 3.185 1.00 0.00 O ATOM 1822 CB VAL A 117 -0.399 -15.727 1.096 1.00 0.00 C ATOM 1823 CG1 VAL A 117 0.863 -16.464 0.623 1.00 0.00 C ATOM 1824 CG2 VAL A 117 -0.734 -14.615 0.094 1.00 0.00 C ATOM 0 H VAL A 117 -1.507 -17.191 -0.672 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.187 -17.364 2.153 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.210 -15.252 2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.658 -15.742 0.436 1.00 0.00 H new ATOM 0 HG12 VAL A 117 1.185 -17.166 1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.644 -17.008 -0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.139 -13.978 -0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.019 -15.059 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.561 -14.017 0.477 1.00 0.00 H new ATOM 1834 N ASN A 118 -3.794 -15.648 1.126 1.00 0.00 N ATOM 1835 CA ASN A 118 -5.057 -15.081 1.599 1.00 0.00 C ATOM 1836 C ASN A 118 -5.865 -16.113 2.370 1.00 0.00 C ATOM 1837 O ASN A 118 -6.477 -15.765 3.379 1.00 0.00 O ATOM 1838 CB ASN A 118 -5.887 -14.486 0.452 1.00 0.00 C ATOM 1839 CG ASN A 118 -5.481 -13.040 0.210 1.00 0.00 C ATOM 1840 OD1 ASN A 118 -6.114 -12.119 0.712 1.00 0.00 O ATOM 1841 ND2 ASN A 118 -4.392 -12.813 -0.503 1.00 0.00 N ATOM 0 H ASN A 118 -3.732 -15.738 0.112 1.00 0.00 H new ATOM 0 HA ASN A 118 -4.806 -14.265 2.276 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -5.739 -15.071 -0.456 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -6.948 -14.538 0.695 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.064 -11.857 -0.644 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.879 -13.593 -0.913 1.00 0.00 H new ATOM 1848 N GLU A 119 -5.827 -17.379 1.953 1.00 0.00 N ATOM 1849 CA GLU A 119 -6.397 -18.497 2.683 1.00 0.00 C ATOM 1850 C GLU A 119 -5.897 -18.477 4.126 1.00 0.00 C ATOM 1851 O GLU A 119 -6.703 -18.564 5.050 1.00 0.00 O ATOM 1852 CB GLU A 119 -6.016 -19.811 1.967 1.00 0.00 C ATOM 1853 CG GLU A 119 -7.131 -20.842 2.020 1.00 0.00 C ATOM 1854 CD GLU A 119 -6.706 -22.188 1.406 1.00 0.00 C ATOM 1855 OE1 GLU A 119 -6.162 -23.049 2.134 1.00 0.00 O ATOM 1856 OE2 GLU A 119 -6.944 -22.409 0.197 1.00 0.00 O ATOM 0 H GLU A 119 -5.387 -17.656 1.076 1.00 0.00 H new ATOM 0 HA GLU A 119 -7.484 -18.421 2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -5.771 -19.597 0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -5.119 -20.226 2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.433 -20.996 3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -8.002 -20.460 1.488 1.00 0.00 H new ATOM 1863 N LEU A 120 -4.589 -18.287 4.327 1.00 0.00 N ATOM 1864 CA LEU A 120 -3.974 -18.305 5.650 1.00 0.00 C ATOM 1865 C LEU A 120 -4.415 -17.110 6.482 1.00 0.00 C ATOM 1866 O LEU A 120 -4.744 -17.283 7.655 1.00 0.00 O ATOM 1867 CB LEU A 120 -2.440 -18.294 5.575 1.00 0.00 C ATOM 1868 CG LEU A 120 -1.844 -19.346 4.638 1.00 0.00 C ATOM 1869 CD1 LEU A 120 -0.320 -19.250 4.683 1.00 0.00 C ATOM 1870 CD2 LEU A 120 -2.285 -20.765 4.988 1.00 0.00 C ATOM 0 H LEU A 120 -3.927 -18.116 3.570 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.305 -19.231 6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.112 -17.307 5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -2.039 -18.448 6.577 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.212 -19.140 3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.111 -19.997 4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.008 -18.256 4.363 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.026 -19.428 5.701 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.832 -21.469 4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.968 -21.005 6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.371 -20.836 4.921 1.00 0.00 H new ATOM 1882 N ARG A 121 -4.398 -15.907 5.899 1.00 0.00 N ATOM 1883 CA ARG A 121 -4.629 -14.696 6.679 1.00 0.00 C ATOM 1884 C ARG A 121 -6.108 -14.500 7.001 1.00 0.00 C ATOM 1885 O ARG A 121 -6.428 -13.999 8.079 1.00 0.00 O ATOM 1886 CB ARG A 121 -4.020 -13.479 5.965 1.00 0.00 C ATOM 1887 CG ARG A 121 -3.561 -12.456 7.011 1.00 0.00 C ATOM 1888 CD ARG A 121 -2.926 -11.224 6.375 1.00 0.00 C ATOM 1889 NE ARG A 121 -2.443 -10.287 7.402 1.00 0.00 N ATOM 1890 CZ ARG A 121 -3.111 -9.230 7.877 1.00 0.00 C ATOM 1891 NH1 ARG A 121 -4.374 -9.002 7.552 1.00 0.00 N ATOM 1892 NH2 ARG A 121 -2.526 -8.349 8.671 1.00 0.00 N ATOM 0 H ARG A 121 -4.229 -15.751 4.905 1.00 0.00 H new ATOM 0 HA ARG A 121 -4.124 -14.806 7.639 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.177 -13.789 5.348 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.755 -13.029 5.297 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.414 -12.151 7.616 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -2.844 -12.925 7.685 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.097 -11.527 5.736 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.654 -10.724 5.736 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.514 -10.459 7.787 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.862 -9.641 6.924 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.859 -8.188 7.929 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.547 -8.469 8.932 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -3.054 -7.550 9.022 1.00 0.00 H new ATOM 1906 N TYR A 122 -7.006 -14.902 6.097 1.00 0.00 N ATOM 1907 CA TYR A 122 -8.442 -14.688 6.272 1.00 0.00 C ATOM 1908 C TYR A 122 -9.101 -15.910 6.911 1.00 0.00 C ATOM 1909 O TYR A 122 -9.849 -15.763 7.876 1.00 0.00 O ATOM 1910 CB TYR A 122 -9.074 -14.332 4.911 1.00 0.00 C ATOM 1911 CG TYR A 122 -10.585 -14.130 4.852 1.00 0.00 C ATOM 1912 CD1 TYR A 122 -11.340 -13.738 5.978 1.00 0.00 C ATOM 1913 CD2 TYR A 122 -11.246 -14.339 3.626 1.00 0.00 C ATOM 1914 CE1 TYR A 122 -12.737 -13.602 5.891 1.00 0.00 C ATOM 1915 CE2 TYR A 122 -12.641 -14.191 3.524 1.00 0.00 C ATOM 1916 CZ TYR A 122 -13.396 -13.829 4.661 1.00 0.00 C ATOM 1917 OH TYR A 122 -14.751 -13.699 4.589 1.00 0.00 O ATOM 0 H TYR A 122 -6.759 -15.381 5.231 1.00 0.00 H new ATOM 0 HA TYR A 122 -8.607 -13.853 6.954 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -8.601 -13.418 4.553 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -8.815 -15.122 4.206 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -10.840 -13.541 6.915 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -10.674 -14.617 2.753 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -13.307 -13.324 6.765 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -13.134 -14.354 2.577 1.00 0.00 H new ATOM 0 HH TYR A 122 -14.983 -12.754 4.475 1.00 0.00 H new ATOM 1927 N GLY A 123 -8.823 -17.110 6.399 1.00 0.00 N ATOM 1928 CA GLY A 123 -9.486 -18.341 6.813 1.00 0.00 C ATOM 1929 C GLY A 123 -9.614 -19.264 5.611 1.00 0.00 C ATOM 1930 O GLY A 123 -9.150 -20.407 5.648 1.00 0.00 O ATOM 0 H GLY A 123 -8.120 -17.253 5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.915 -18.829 7.603 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -10.471 -18.118 7.223 1.00 0.00 H new ATOM 1934 N VAL A 124 -10.158 -18.724 4.519 1.00 0.00 N ATOM 1935 CA VAL A 124 -10.289 -19.369 3.222 1.00 0.00 C ATOM 1936 C VAL A 124 -10.437 -18.235 2.197 1.00 0.00 C ATOM 1937 O VAL A 124 -11.223 -17.311 2.417 1.00 0.00 O ATOM 1938 CB VAL A 124 -11.453 -20.392 3.241 1.00 0.00 C ATOM 1939 CG1 VAL A 124 -12.830 -19.804 3.590 1.00 0.00 C ATOM 1940 CG2 VAL A 124 -11.534 -21.164 1.919 1.00 0.00 C ATOM 0 H VAL A 124 -10.537 -17.777 4.521 1.00 0.00 H new ATOM 0 HA VAL A 124 -9.420 -19.968 2.950 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.204 -21.071 4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -13.578 -20.597 3.578 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -12.793 -19.355 4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -13.097 -19.042 2.857 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.360 -21.874 1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -11.699 -20.465 1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -10.601 -21.703 1.754 1.00 0.00 H new ATOM 1950 N ALA A 125 -9.630 -18.244 1.131 1.00 0.00 N ATOM 1951 CA ALA A 125 -9.711 -17.230 0.086 1.00 0.00 C ATOM 1952 C ALA A 125 -10.984 -17.447 -0.734 1.00 0.00 C ATOM 1953 O ALA A 125 -11.298 -18.607 -1.072 1.00 0.00 O ATOM 1954 CB ALA A 125 -8.467 -17.284 -0.800 1.00 0.00 C ATOM 1955 OXT ALA A 125 -11.657 -16.448 -1.061 1.00 0.00 O ATOM 0 H ALA A 125 -8.910 -18.949 0.973 1.00 0.00 H new ATOM 0 HA ALA A 125 -9.753 -16.240 0.539 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -8.540 -16.522 -1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -7.580 -17.101 -0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -8.393 -18.268 -1.263 1.00 0.00 H new