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= 1.08 K(o=3.7,f=-7.4!) USER MOD Set 1.2: A 35 HIS : no HD1:sc= 2.05 K(o=3.7,f=-8.9!) USER MOD Set 1.3: A 113 CYS SG : rot 76:sc= 0.527 USER MOD Set 2.1: A 109 THR OG1 : rot 180:sc= 0.244 USER MOD Set 2.2: A 112 ASN : amide:sc= -0.114 K(o=0.13,f=-0.6) USER MOD Single : A 9 LYS NZ :NH3+ -129:sc= 0.134 (180deg=-0.0198) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 165:sc= 1.27 (180deg=1.17) USER MOD Single : A 61 LYS NZ :NH3+ -135:sc= 0.0685 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 1.31 (180deg=1.31) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0263 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 1.19 K(o=1.2,f=-0.0093) USER MOD Single : A 77 ASN : amide:sc= 1.08 K(o=1.1,f=-2.1) USER MOD Single : A 78 ASN : amide:sc= 0.94 K(o=0.94,f=-5.4!) USER MOD Single : A 79 LYS NZ :NH3+ 173:sc= 1.29 (180deg=1.17) USER MOD Single : A 80 HIS : no HD1:sc= -0.0307 K(o=-0.031,f=-1) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot -9:sc= 1.25 USER MOD Single : A 85 SER OG : rot 155:sc= 1.38 USER MOD Single : A 89 CYS SG : rot 180:sc= 0.0269 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0254 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.14) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.41) 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 57:sc= 1.36 USER MOD Single : A 115 HIS : no HD1:sc= 0.218 K(o=0.22,f=-3.1!) USER MOD Single : A 118 ASN : amide:sc= 1.07 K(o=1.1,f=-0.28) USER MOD Single : A 122 TYR OH : rot -15:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 116 N PRO A 8 6.095 -4.339 8.480 1.00 0.00 N ATOM 117 CA PRO A 8 5.784 -5.764 8.373 1.00 0.00 C ATOM 118 C PRO A 8 5.762 -6.413 9.766 1.00 0.00 C ATOM 119 O PRO A 8 6.724 -6.292 10.531 1.00 0.00 O ATOM 120 CB PRO A 8 6.867 -6.381 7.477 1.00 0.00 C ATOM 121 CG PRO A 8 7.454 -5.185 6.729 1.00 0.00 C ATOM 122 CD PRO A 8 7.297 -4.034 7.720 1.00 0.00 C ATOM 0 HA PRO A 8 4.797 -5.928 7.941 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.627 -6.895 8.066 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.446 -7.114 6.789 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.499 -5.349 6.467 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.919 -4.991 5.800 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.166 -3.957 8.374 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.202 -3.080 7.202 1.00 0.00 H new ATOM 130 N LYS A 9 4.676 -7.116 10.092 1.00 0.00 N ATOM 131 CA LYS A 9 4.492 -7.854 11.343 1.00 0.00 C ATOM 132 C LYS A 9 4.395 -9.339 11.002 1.00 0.00 C ATOM 133 O LYS A 9 3.991 -9.669 9.883 1.00 0.00 O ATOM 134 CB LYS A 9 3.186 -7.406 12.022 1.00 0.00 C ATOM 135 CG LYS A 9 3.222 -5.949 12.518 1.00 0.00 C ATOM 136 CD LYS A 9 1.817 -5.358 12.719 1.00 0.00 C ATOM 137 CE LYS A 9 1.012 -5.223 11.413 1.00 0.00 C ATOM 138 NZ LYS A 9 1.621 -4.271 10.457 1.00 0.00 N ATOM 0 H LYS A 9 3.871 -7.190 9.470 1.00 0.00 H new ATOM 0 HA LYS A 9 5.327 -7.666 12.018 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.361 -7.522 11.319 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.980 -8.064 12.866 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.770 -5.903 13.459 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.770 -5.338 11.800 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.263 -5.989 13.414 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.908 -4.376 13.183 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.929 -6.202 10.940 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.001 -4.896 11.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.902 -3.589 10.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.400 -3.763 10.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.989 -4.792 9.635 1.00 0.00 H new ATOM 152 N PRO A 10 4.748 -10.254 11.923 1.00 0.00 N ATOM 153 CA PRO A 10 4.485 -11.677 11.755 1.00 0.00 C ATOM 154 C PRO A 10 3.035 -11.906 11.308 1.00 0.00 C ATOM 155 O PRO A 10 2.108 -11.313 11.862 1.00 0.00 O ATOM 156 CB PRO A 10 4.800 -12.315 13.113 1.00 0.00 C ATOM 157 CG PRO A 10 5.831 -11.365 13.719 1.00 0.00 C ATOM 158 CD PRO A 10 5.373 -9.999 13.212 1.00 0.00 C ATOM 0 HA PRO A 10 5.099 -12.129 10.976 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.910 -12.393 13.737 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.199 -13.323 13.001 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.833 -11.412 14.808 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.842 -11.601 13.388 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.669 -9.538 13.905 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.215 -9.315 13.111 1.00 0.00 H new ATOM 166 N GLY A 11 2.840 -12.760 10.304 1.00 0.00 N ATOM 167 CA GLY A 11 1.544 -13.057 9.733 1.00 0.00 C ATOM 168 C GLY A 11 1.081 -12.009 8.723 1.00 0.00 C ATOM 169 O GLY A 11 -0.067 -12.090 8.301 1.00 0.00 O ATOM 0 H GLY A 11 3.602 -13.272 9.861 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.583 -14.031 9.245 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.809 -13.131 10.534 1.00 0.00 H new ATOM 173 N ASP A 12 1.891 -11.023 8.323 1.00 0.00 N ATOM 174 CA ASP A 12 1.467 -10.091 7.272 1.00 0.00 C ATOM 175 C ASP A 12 1.677 -10.713 5.894 1.00 0.00 C ATOM 176 O ASP A 12 2.607 -11.500 5.689 1.00 0.00 O ATOM 177 CB ASP A 12 2.191 -8.740 7.354 1.00 0.00 C ATOM 178 CG ASP A 12 1.603 -7.783 8.397 1.00 0.00 C ATOM 179 OD1 ASP A 12 0.454 -7.995 8.859 1.00 0.00 O ATOM 180 OD2 ASP A 12 2.259 -6.758 8.685 1.00 0.00 O ATOM 0 H ASP A 12 2.823 -10.851 8.700 1.00 0.00 H new ATOM 0 HA ASP A 12 0.406 -9.899 7.429 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.241 -8.915 7.587 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.157 -8.261 6.376 1.00 0.00 H new ATOM 185 N LEU A 13 0.824 -10.333 4.937 1.00 0.00 N ATOM 186 CA LEU A 13 0.989 -10.697 3.534 1.00 0.00 C ATOM 187 C LEU A 13 2.160 -9.904 2.959 1.00 0.00 C ATOM 188 O LEU A 13 2.223 -8.684 3.134 1.00 0.00 O ATOM 189 CB LEU A 13 -0.254 -10.341 2.694 1.00 0.00 C ATOM 190 CG LEU A 13 -1.532 -11.195 2.806 1.00 0.00 C ATOM 191 CD1 LEU A 13 -2.418 -10.980 1.576 1.00 0.00 C ATOM 192 CD2 LEU A 13 -1.204 -12.684 2.912 1.00 0.00 C ATOM 0 H LEU A 13 -0.002 -9.762 5.119 1.00 0.00 H new ATOM 0 HA LEU A 13 1.153 -11.774 3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.528 -9.315 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.050 -10.348 1.647 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.053 -10.881 3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.318 -11.588 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.696 -9.928 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.872 -11.270 0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.129 -13.256 2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.655 -13.000 2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.594 -12.860 3.798 1.00 0.00 H new ATOM 204 N ILE A 14 3.011 -10.571 2.183 1.00 0.00 N ATOM 205 CA ILE A 14 4.110 -9.967 1.448 1.00 0.00 C ATOM 206 C ILE A 14 3.866 -10.263 -0.028 1.00 0.00 C ATOM 207 O ILE A 14 3.556 -11.396 -0.401 1.00 0.00 O ATOM 208 CB ILE A 14 5.462 -10.559 1.920 1.00 0.00 C ATOM 209 CG1 ILE A 14 5.714 -10.369 3.432 1.00 0.00 C ATOM 210 CG2 ILE A 14 6.647 -10.012 1.101 1.00 0.00 C ATOM 211 CD1 ILE A 14 5.877 -8.914 3.894 1.00 0.00 C ATOM 0 H ILE A 14 2.949 -11.580 2.047 1.00 0.00 H new ATOM 0 HA ILE A 14 4.157 -8.892 1.619 1.00 0.00 H new ATOM 0 HB ILE A 14 5.388 -11.632 1.742 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.885 -10.816 3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.612 -10.922 3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.575 -10.453 1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.512 -10.267 0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.694 -8.928 1.208 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.049 -8.891 4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.726 -8.462 3.381 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.972 -8.354 3.660 1.00 0.00 H new ATOM 223 N GLU A 15 4.056 -9.254 -0.868 1.00 0.00 N ATOM 224 CA GLU A 15 4.124 -9.412 -2.308 1.00 0.00 C ATOM 225 C GLU A 15 5.575 -9.135 -2.699 1.00 0.00 C ATOM 226 O GLU A 15 6.293 -8.399 -2.021 1.00 0.00 O ATOM 227 CB GLU A 15 3.121 -8.501 -3.036 1.00 0.00 C ATOM 228 CG GLU A 15 3.430 -7.014 -2.837 1.00 0.00 C ATOM 229 CD GLU A 15 2.500 -6.084 -3.630 1.00 0.00 C ATOM 230 OE1 GLU A 15 1.259 -6.186 -3.506 1.00 0.00 O ATOM 231 OE2 GLU A 15 3.033 -5.203 -4.339 1.00 0.00 O ATOM 0 H GLU A 15 4.169 -8.288 -0.559 1.00 0.00 H new ATOM 0 HA GLU A 15 3.838 -10.420 -2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.132 -8.732 -4.101 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.115 -8.712 -2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.353 -6.774 -1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.461 -6.822 -3.133 1.00 0.00 H new ATOM 238 N ILE A 16 5.995 -9.718 -3.807 1.00 0.00 N ATOM 239 CA ILE A 16 7.352 -9.771 -4.310 1.00 0.00 C ATOM 240 C ILE A 16 7.217 -9.273 -5.748 1.00 0.00 C ATOM 241 O ILE A 16 6.736 -10.008 -6.612 1.00 0.00 O ATOM 242 CB ILE A 16 7.875 -11.226 -4.211 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.802 -11.893 -2.817 1.00 0.00 C ATOM 244 CG2 ILE A 16 9.292 -11.337 -4.791 1.00 0.00 C ATOM 245 CD1 ILE A 16 8.726 -11.291 -1.759 1.00 0.00 C ATOM 0 H ILE A 16 5.344 -10.204 -4.425 1.00 0.00 H new ATOM 0 HA ILE A 16 8.071 -9.168 -3.756 1.00 0.00 H new ATOM 0 HB ILE A 16 7.169 -11.797 -4.813 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.775 -11.833 -2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.040 -12.951 -2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.638 -12.367 -4.711 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.280 -11.039 -5.839 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.965 -10.684 -4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.600 -11.827 -0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.761 -11.376 -2.089 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.476 -10.240 -1.613 1.00 0.00 H new ATOM 257 N PHE A 17 7.512 -8.000 -5.998 1.00 0.00 N ATOM 258 CA PHE A 17 7.316 -7.390 -7.311 1.00 0.00 C ATOM 259 C PHE A 17 8.232 -8.060 -8.338 1.00 0.00 C ATOM 260 O PHE A 17 9.424 -8.239 -8.073 1.00 0.00 O ATOM 261 CB PHE A 17 7.582 -5.877 -7.234 1.00 0.00 C ATOM 262 CG PHE A 17 6.433 -5.056 -7.776 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.371 -4.730 -9.145 1.00 0.00 C ATOM 264 CD2 PHE A 17 5.402 -4.648 -6.910 1.00 0.00 C ATOM 265 CE1 PHE A 17 5.286 -3.986 -9.642 1.00 0.00 C ATOM 266 CE2 PHE A 17 4.318 -3.903 -7.408 1.00 0.00 C ATOM 267 CZ PHE A 17 4.260 -3.569 -8.773 1.00 0.00 C ATOM 0 H PHE A 17 7.893 -7.363 -5.298 1.00 0.00 H new ATOM 0 HA PHE A 17 6.283 -7.536 -7.628 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.767 -5.597 -6.197 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.487 -5.642 -7.794 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.157 -5.051 -9.813 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.443 -4.907 -5.862 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.240 -3.734 -10.691 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.529 -3.587 -6.741 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.429 -2.993 -9.154 1.00 0.00 H new ATOM 277 N ARG A 18 7.715 -8.423 -9.517 1.00 0.00 N ATOM 278 CA ARG A 18 8.488 -9.000 -10.618 1.00 0.00 C ATOM 279 C ARG A 18 8.446 -8.043 -11.817 1.00 0.00 C ATOM 280 O ARG A 18 7.637 -7.114 -11.810 1.00 0.00 O ATOM 281 CB ARG A 18 7.890 -10.381 -10.949 1.00 0.00 C ATOM 282 CG ARG A 18 7.927 -11.430 -9.824 1.00 0.00 C ATOM 283 CD ARG A 18 9.347 -11.891 -9.491 1.00 0.00 C ATOM 284 NE ARG A 18 10.060 -10.910 -8.653 1.00 0.00 N ATOM 285 CZ ARG A 18 11.043 -11.118 -7.777 1.00 0.00 C ATOM 286 NH1 ARG A 18 11.527 -12.333 -7.538 1.00 0.00 N ATOM 287 NH2 ARG A 18 11.524 -10.078 -7.112 1.00 0.00 N ATOM 0 H ARG A 18 6.724 -8.321 -9.735 1.00 0.00 H new ATOM 0 HA ARG A 18 9.535 -9.135 -10.347 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.852 -10.240 -11.251 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.421 -10.785 -11.811 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.466 -11.013 -8.929 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.329 -12.293 -10.118 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.306 -12.849 -8.973 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.903 -12.052 -10.415 1.00 0.00 H new ATOM 0 HE ARG A 18 9.761 -9.941 -8.758 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.146 -13.140 -8.031 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.280 -12.458 -6.861 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.142 -9.147 -7.276 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.276 -10.209 -6.436 1.00 0.00 H new ATOM 301 N PRO A 19 9.290 -8.243 -12.849 1.00 0.00 N ATOM 302 CA PRO A 19 9.415 -7.305 -13.967 1.00 0.00 C ATOM 303 C PRO A 19 8.102 -6.980 -14.698 1.00 0.00 C ATOM 304 O PRO A 19 7.983 -5.893 -15.269 1.00 0.00 O ATOM 305 CB PRO A 19 10.449 -7.922 -14.913 1.00 0.00 C ATOM 306 CG PRO A 19 11.315 -8.769 -13.982 1.00 0.00 C ATOM 307 CD PRO A 19 10.304 -9.289 -12.964 1.00 0.00 C ATOM 0 HA PRO A 19 9.723 -6.333 -13.582 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.976 -8.529 -15.685 1.00 0.00 H new ATOM 0 HB3 PRO A 19 11.035 -7.157 -15.423 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.807 -9.582 -14.515 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.099 -8.178 -13.509 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.862 -10.229 -13.295 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.780 -9.482 -12.002 1.00 0.00 H new ATOM 315 N PHE A 20 7.124 -7.893 -14.678 1.00 0.00 N ATOM 316 CA PHE A 20 5.831 -7.735 -15.351 1.00 0.00 C ATOM 317 C PHE A 20 4.651 -8.276 -14.522 1.00 0.00 C ATOM 318 O PHE A 20 3.518 -8.274 -15.011 1.00 0.00 O ATOM 319 CB PHE A 20 5.903 -8.415 -16.733 1.00 0.00 C ATOM 320 CG PHE A 20 6.125 -9.921 -16.696 1.00 0.00 C ATOM 321 CD1 PHE A 20 5.027 -10.802 -16.644 1.00 0.00 C ATOM 322 CD2 PHE A 20 7.434 -10.445 -16.707 1.00 0.00 C ATOM 323 CE1 PHE A 20 5.235 -12.192 -16.588 1.00 0.00 C ATOM 324 CE2 PHE A 20 7.641 -11.835 -16.650 1.00 0.00 C ATOM 325 CZ PHE A 20 6.543 -12.709 -16.589 1.00 0.00 C ATOM 0 H PHE A 20 7.212 -8.780 -14.183 1.00 0.00 H new ATOM 0 HA PHE A 20 5.639 -6.669 -15.471 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.977 -8.212 -17.270 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.710 -7.957 -17.305 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.021 -10.408 -16.647 1.00 0.00 H new ATOM 0 HD2 PHE A 20 8.281 -9.777 -16.759 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.390 -12.863 -16.544 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.646 -12.231 -16.653 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.703 -13.776 -16.543 1.00 0.00 H new ATOM 335 N TYR A 21 4.887 -8.764 -13.298 1.00 0.00 N ATOM 336 CA TYR A 21 3.882 -9.423 -12.461 1.00 0.00 C ATOM 337 C TYR A 21 4.318 -9.335 -10.993 1.00 0.00 C ATOM 338 O TYR A 21 5.029 -8.401 -10.617 1.00 0.00 O ATOM 339 CB TYR A 21 3.596 -10.861 -12.958 1.00 0.00 C ATOM 340 CG TYR A 21 4.629 -11.950 -12.684 1.00 0.00 C ATOM 341 CD1 TYR A 21 5.947 -11.837 -13.162 1.00 0.00 C ATOM 342 CD2 TYR A 21 4.245 -13.113 -11.989 1.00 0.00 C ATOM 343 CE1 TYR A 21 6.869 -12.883 -12.972 1.00 0.00 C ATOM 344 CE2 TYR A 21 5.166 -14.151 -11.767 1.00 0.00 C ATOM 345 CZ TYR A 21 6.483 -14.046 -12.267 1.00 0.00 C ATOM 346 OH TYR A 21 7.367 -15.062 -12.056 1.00 0.00 O ATOM 0 H TYR A 21 5.804 -8.709 -12.854 1.00 0.00 H new ATOM 0 HA TYR A 21 2.924 -8.909 -12.540 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.653 -11.182 -12.516 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.444 -10.814 -14.036 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.254 -10.940 -13.679 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.233 -13.208 -11.623 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.871 -12.797 -13.365 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.867 -15.029 -11.214 1.00 0.00 H new ATOM 0 HH TYR A 21 6.927 -15.779 -11.553 1.00 0.00 H new ATOM 356 N ARG A 22 3.913 -10.280 -10.143 1.00 0.00 N ATOM 357 CA ARG A 22 4.294 -10.334 -8.737 1.00 0.00 C ATOM 358 C ARG A 22 4.254 -11.786 -8.288 1.00 0.00 C ATOM 359 O ARG A 22 3.621 -12.621 -8.934 1.00 0.00 O ATOM 360 CB ARG A 22 3.407 -9.406 -7.868 1.00 0.00 C ATOM 361 CG ARG A 22 2.070 -9.941 -7.321 1.00 0.00 C ATOM 362 CD ARG A 22 1.170 -10.663 -8.339 1.00 0.00 C ATOM 363 NE ARG A 22 -0.270 -10.407 -8.117 1.00 0.00 N ATOM 364 CZ ARG A 22 -0.953 -9.314 -8.481 1.00 0.00 C ATOM 365 NH1 ARG A 22 -0.376 -8.322 -9.156 1.00 0.00 N ATOM 366 NH2 ARG A 22 -2.233 -9.241 -8.144 1.00 0.00 N ATOM 0 H ARG A 22 3.298 -11.044 -10.422 1.00 0.00 H new ATOM 0 HA ARG A 22 5.309 -9.957 -8.609 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.005 -9.085 -7.015 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.188 -8.516 -8.457 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.283 -10.628 -6.502 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.511 -9.105 -6.899 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.440 -10.344 -9.346 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.356 -11.736 -8.284 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.796 -11.137 -7.638 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.610 -8.383 -9.409 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.920 -7.501 -9.420 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.668 -10.003 -7.624 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.783 -8.423 -8.405 1.00 0.00 H new ATOM 380 N HIS A 23 4.864 -12.060 -7.150 1.00 0.00 N ATOM 381 CA HIS A 23 4.772 -13.320 -6.435 1.00 0.00 C ATOM 382 C HIS A 23 4.338 -12.991 -5.003 1.00 0.00 C ATOM 383 O HIS A 23 4.328 -11.816 -4.629 1.00 0.00 O ATOM 384 CB HIS A 23 6.135 -14.032 -6.537 1.00 0.00 C ATOM 385 CG HIS A 23 6.231 -15.301 -5.727 1.00 0.00 C ATOM 386 ND1 HIS A 23 5.268 -16.309 -5.714 1.00 0.00 N ATOM 387 CD2 HIS A 23 7.226 -15.621 -4.846 1.00 0.00 C ATOM 388 CE1 HIS A 23 5.713 -17.224 -4.833 1.00 0.00 C ATOM 389 NE2 HIS A 23 6.881 -16.837 -4.300 1.00 0.00 N ATOM 0 H HIS A 23 5.463 -11.382 -6.678 1.00 0.00 H new ATOM 0 HA HIS A 23 4.036 -14.008 -6.851 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.333 -14.266 -7.583 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.916 -13.346 -6.211 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.107 -15.037 -4.623 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.200 -18.143 -4.589 1.00 0.00 H new ATOM 0 HE2 HIS A 23 7.422 -17.355 -3.608 1.00 0.00 H new ATOM 397 N TRP A 24 3.954 -13.986 -4.203 1.00 0.00 N ATOM 398 CA TRP A 24 3.369 -13.773 -2.884 1.00 0.00 C ATOM 399 C TRP A 24 3.948 -14.732 -1.857 1.00 0.00 C ATOM 400 O TRP A 24 4.265 -15.882 -2.170 1.00 0.00 O ATOM 401 CB TRP A 24 1.853 -13.949 -2.952 1.00 0.00 C ATOM 402 CG TRP A 24 1.128 -12.824 -3.605 1.00 0.00 C ATOM 403 CD1 TRP A 24 0.823 -12.720 -4.915 1.00 0.00 C ATOM 404 CD2 TRP A 24 0.590 -11.628 -2.973 1.00 0.00 C ATOM 405 NE1 TRP A 24 0.116 -11.554 -5.122 1.00 0.00 N ATOM 406 CE2 TRP A 24 -0.037 -10.826 -3.967 1.00 0.00 C ATOM 407 CE3 TRP A 24 0.556 -11.155 -1.650 1.00 0.00 C ATOM 408 CZ2 TRP A 24 -0.674 -9.613 -3.667 1.00 0.00 C ATOM 409 CZ3 TRP A 24 -0.064 -9.930 -1.333 1.00 0.00 C ATOM 410 CH2 TRP A 24 -0.678 -9.162 -2.337 1.00 0.00 C ATOM 0 H TRP A 24 4.042 -14.970 -4.457 1.00 0.00 H new ATOM 0 HA TRP A 24 3.609 -12.756 -2.573 1.00 0.00 H new ATOM 0 HB2 TRP A 24 1.631 -14.869 -3.492 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.469 -14.073 -1.940 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.090 -13.435 -5.679 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.251 -11.265 -6.029 1.00 0.00 H new ATOM 0 HE3 TRP A 24 1.012 -11.739 -0.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.153 -9.036 -4.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -0.067 -9.579 -0.312 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.153 -8.225 -2.086 1.00 0.00 H new ATOM 421 N ALA A 25 4.031 -14.250 -0.618 1.00 0.00 N ATOM 422 CA ALA A 25 4.556 -14.948 0.538 1.00 0.00 C ATOM 423 C ALA A 25 3.866 -14.403 1.799 1.00 0.00 C ATOM 424 O ALA A 25 3.108 -13.432 1.726 1.00 0.00 O ATOM 425 CB ALA A 25 6.071 -14.716 0.573 1.00 0.00 C ATOM 0 H ALA A 25 3.714 -13.308 -0.389 1.00 0.00 H new ATOM 0 HA ALA A 25 4.364 -16.020 0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.498 -15.230 1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.520 -15.105 -0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.274 -13.648 0.651 1.00 0.00 H new ATOM 431 N ILE A 26 4.134 -14.989 2.964 1.00 0.00 N ATOM 432 CA ILE A 26 3.603 -14.525 4.244 1.00 0.00 C ATOM 433 C ILE A 26 4.769 -14.417 5.221 1.00 0.00 C ATOM 434 O ILE A 26 5.589 -15.328 5.279 1.00 0.00 O ATOM 435 CB ILE A 26 2.482 -15.487 4.696 1.00 0.00 C ATOM 436 CG1 ILE A 26 1.440 -14.740 5.546 1.00 0.00 C ATOM 437 CG2 ILE A 26 2.999 -16.740 5.414 1.00 0.00 C ATOM 438 CD1 ILE A 26 0.151 -15.555 5.629 1.00 0.00 C ATOM 0 H ILE A 26 4.734 -15.810 3.047 1.00 0.00 H new ATOM 0 HA ILE A 26 3.146 -13.538 4.179 1.00 0.00 H new ATOM 0 HB ILE A 26 2.001 -15.851 3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.834 -14.564 6.547 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.235 -13.763 5.108 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.156 -17.368 5.702 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.655 -17.297 4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.553 -16.446 6.305 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.581 -15.018 6.233 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.248 -15.708 4.626 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.361 -16.522 6.087 1.00 0.00 H new ATOM 450 N TYR A 27 4.882 -13.303 5.936 1.00 0.00 N ATOM 451 CA TYR A 27 6.000 -13.008 6.820 1.00 0.00 C ATOM 452 C TYR A 27 5.893 -13.838 8.096 1.00 0.00 C ATOM 453 O TYR A 27 4.825 -13.896 8.705 1.00 0.00 O ATOM 454 CB TYR A 27 5.969 -11.509 7.123 1.00 0.00 C ATOM 455 CG TYR A 27 7.228 -10.959 7.757 1.00 0.00 C ATOM 456 CD1 TYR A 27 8.410 -10.845 7.004 1.00 0.00 C ATOM 457 CD2 TYR A 27 7.196 -10.499 9.083 1.00 0.00 C ATOM 458 CE1 TYR A 27 9.545 -10.225 7.557 1.00 0.00 C ATOM 459 CE2 TYR A 27 8.321 -9.879 9.649 1.00 0.00 C ATOM 460 CZ TYR A 27 9.498 -9.723 8.880 1.00 0.00 C ATOM 461 OH TYR A 27 10.571 -9.082 9.420 1.00 0.00 O ATOM 0 H TYR A 27 4.180 -12.563 5.915 1.00 0.00 H new ATOM 0 HA TYR A 27 6.948 -13.266 6.348 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.782 -10.970 6.194 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.128 -11.305 7.785 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.447 -11.235 5.997 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.299 -10.623 9.672 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.450 -10.132 6.974 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.288 -9.522 10.668 1.00 0.00 H new ATOM 0 HH TYR A 27 10.360 -8.805 10.336 1.00 0.00 H new ATOM 471 N VAL A 28 6.997 -14.441 8.528 1.00 0.00 N ATOM 472 CA VAL A 28 7.098 -15.220 9.766 1.00 0.00 C ATOM 473 C VAL A 28 8.503 -15.033 10.363 1.00 0.00 C ATOM 474 O VAL A 28 9.417 -14.552 9.688 1.00 0.00 O ATOM 475 CB VAL A 28 6.768 -16.718 9.520 1.00 0.00 C ATOM 476 CG1 VAL A 28 5.324 -16.953 9.044 1.00 0.00 C ATOM 477 CG2 VAL A 28 7.711 -17.402 8.519 1.00 0.00 C ATOM 0 H VAL A 28 7.876 -14.402 8.012 1.00 0.00 H new ATOM 0 HA VAL A 28 6.361 -14.857 10.482 1.00 0.00 H new ATOM 0 HB VAL A 28 6.906 -17.167 10.504 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.160 -18.020 8.891 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.628 -16.583 9.797 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.159 -16.423 8.106 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.419 -18.445 8.398 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.650 -16.894 7.556 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.734 -17.353 8.891 1.00 0.00 H new ATOM 487 N GLY A 29 8.701 -15.430 11.624 1.00 0.00 N ATOM 488 CA GLY A 29 10.022 -15.518 12.249 1.00 0.00 C ATOM 489 C GLY A 29 10.837 -14.220 12.201 1.00 0.00 C ATOM 490 O GLY A 29 12.066 -14.282 12.211 1.00 0.00 O ATOM 0 H GLY A 29 7.939 -15.702 12.245 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.898 -15.816 13.290 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.591 -16.307 11.757 1.00 0.00 H new ATOM 494 N ASP A 30 10.166 -13.062 12.132 1.00 0.00 N ATOM 495 CA ASP A 30 10.765 -11.728 12.024 1.00 0.00 C ATOM 496 C ASP A 30 11.847 -11.632 10.927 1.00 0.00 C ATOM 497 O ASP A 30 12.877 -10.979 11.106 1.00 0.00 O ATOM 498 CB ASP A 30 11.234 -11.263 13.416 1.00 0.00 C ATOM 499 CG ASP A 30 11.654 -9.782 13.445 1.00 0.00 C ATOM 500 OD1 ASP A 30 10.858 -8.909 13.032 1.00 0.00 O ATOM 501 OD2 ASP A 30 12.754 -9.470 13.959 1.00 0.00 O ATOM 0 H ASP A 30 9.147 -13.030 12.151 1.00 0.00 H new ATOM 0 HA ASP A 30 10.001 -11.029 11.683 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.431 -11.421 14.136 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.074 -11.880 13.735 1.00 0.00 H new ATOM 506 N GLY A 31 11.642 -12.314 9.790 1.00 0.00 N ATOM 507 CA GLY A 31 12.539 -12.212 8.633 1.00 0.00 C ATOM 508 C GLY A 31 12.412 -13.354 7.626 1.00 0.00 C ATOM 509 O GLY A 31 12.912 -13.241 6.504 1.00 0.00 O ATOM 0 H GLY A 31 10.855 -12.947 9.649 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.344 -11.270 8.121 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.568 -12.173 8.990 1.00 0.00 H new ATOM 513 N TYR A 32 11.762 -14.454 7.999 1.00 0.00 N ATOM 514 CA TYR A 32 11.471 -15.556 7.098 1.00 0.00 C ATOM 515 C TYR A 32 10.109 -15.321 6.448 1.00 0.00 C ATOM 516 O TYR A 32 9.358 -14.417 6.825 1.00 0.00 O ATOM 517 CB TYR A 32 11.535 -16.884 7.873 1.00 0.00 C ATOM 518 CG TYR A 32 12.953 -17.354 8.135 1.00 0.00 C ATOM 519 CD1 TYR A 32 13.712 -16.786 9.177 1.00 0.00 C ATOM 520 CD2 TYR A 32 13.528 -18.344 7.312 1.00 0.00 C ATOM 521 CE1 TYR A 32 15.042 -17.191 9.387 1.00 0.00 C ATOM 522 CE2 TYR A 32 14.857 -18.753 7.515 1.00 0.00 C ATOM 523 CZ TYR A 32 15.624 -18.174 8.554 1.00 0.00 C ATOM 524 OH TYR A 32 16.916 -18.554 8.763 1.00 0.00 O ATOM 0 H TYR A 32 11.420 -14.603 8.948 1.00 0.00 H new ATOM 0 HA TYR A 32 12.213 -15.612 6.301 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.016 -16.768 8.824 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.003 -17.651 7.311 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.271 -16.036 9.817 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.944 -18.791 6.521 1.00 0.00 H new ATOM 0 HE1 TYR A 32 15.620 -16.750 10.186 1.00 0.00 H new ATOM 0 HE2 TYR A 32 15.293 -19.509 6.878 1.00 0.00 H new ATOM 0 HH TYR A 32 17.166 -19.238 8.108 1.00 0.00 H new ATOM 534 N VAL A 33 9.772 -16.160 5.477 1.00 0.00 N ATOM 535 CA VAL A 33 8.448 -16.212 4.892 1.00 0.00 C ATOM 536 C VAL A 33 8.046 -17.663 4.631 1.00 0.00 C ATOM 537 O VAL A 33 8.909 -18.535 4.536 1.00 0.00 O ATOM 538 CB VAL A 33 8.372 -15.395 3.586 1.00 0.00 C ATOM 539 CG1 VAL A 33 8.369 -13.876 3.783 1.00 0.00 C ATOM 540 CG2 VAL A 33 9.472 -15.767 2.582 1.00 0.00 C ATOM 0 H VAL A 33 10.424 -16.831 5.071 1.00 0.00 H new ATOM 0 HA VAL A 33 7.751 -15.767 5.603 1.00 0.00 H new ATOM 0 HB VAL A 33 7.401 -15.674 3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.314 -13.383 2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.507 -13.589 4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.284 -13.573 4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.366 -15.159 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.449 -15.586 3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.383 -16.821 2.319 1.00 0.00 H new ATOM 550 N VAL A 34 6.746 -17.904 4.458 1.00 0.00 N ATOM 551 CA VAL A 34 6.192 -19.157 3.951 1.00 0.00 C ATOM 552 C VAL A 34 5.560 -18.793 2.606 1.00 0.00 C ATOM 553 O VAL A 34 4.927 -17.740 2.490 1.00 0.00 O ATOM 554 CB VAL A 34 5.186 -19.795 4.941 1.00 0.00 C ATOM 555 CG1 VAL A 34 4.805 -21.224 4.537 1.00 0.00 C ATOM 556 CG2 VAL A 34 5.724 -19.796 6.378 1.00 0.00 C ATOM 0 H VAL A 34 6.029 -17.211 4.674 1.00 0.00 H new ATOM 0 HA VAL A 34 6.958 -19.923 3.831 1.00 0.00 H new ATOM 0 HB VAL A 34 4.291 -19.175 4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.098 -21.630 5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.346 -21.213 3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.699 -21.847 4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.989 -20.252 7.041 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.652 -20.366 6.419 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.914 -18.771 6.696 1.00 0.00 H new ATOM 566 N HIS A 35 5.778 -19.606 1.572 1.00 0.00 N ATOM 567 CA HIS A 35 5.339 -19.304 0.211 1.00 0.00 C ATOM 568 C HIS A 35 5.260 -20.576 -0.631 1.00 0.00 C ATOM 569 O HIS A 35 5.744 -21.630 -0.211 1.00 0.00 O ATOM 570 CB HIS A 35 6.283 -18.273 -0.436 1.00 0.00 C ATOM 571 CG HIS A 35 7.629 -18.774 -0.913 1.00 0.00 C ATOM 572 ND1 HIS A 35 8.227 -18.381 -2.114 1.00 0.00 N ATOM 573 CD2 HIS A 35 8.477 -19.620 -0.252 1.00 0.00 C ATOM 574 CE1 HIS A 35 9.407 -19.020 -2.159 1.00 0.00 C ATOM 575 NE2 HIS A 35 9.584 -19.764 -1.056 1.00 0.00 N ATOM 0 H HIS A 35 6.267 -20.497 1.656 1.00 0.00 H new ATOM 0 HA HIS A 35 4.338 -18.874 0.258 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.767 -17.829 -1.287 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.456 -17.474 0.285 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.311 -20.083 0.710 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.116 -18.946 -2.971 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.401 -20.339 -0.849 1.00 0.00 H new ATOM 583 N LEU A 36 4.661 -20.487 -1.821 1.00 0.00 N ATOM 584 CA LEU A 36 4.709 -21.566 -2.803 1.00 0.00 C ATOM 585 C LEU A 36 6.030 -21.448 -3.560 1.00 0.00 C ATOM 586 O LEU A 36 6.430 -20.348 -3.944 1.00 0.00 O ATOM 587 CB LEU A 36 3.537 -21.483 -3.803 1.00 0.00 C ATOM 588 CG LEU A 36 2.229 -22.183 -3.398 1.00 0.00 C ATOM 589 CD1 LEU A 36 2.391 -23.693 -3.189 1.00 0.00 C ATOM 590 CD2 LEU A 36 1.621 -21.582 -2.139 1.00 0.00 C ATOM 0 H LEU A 36 4.133 -19.670 -2.127 1.00 0.00 H new ATOM 0 HA LEU A 36 4.629 -22.522 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.318 -20.431 -3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.869 -21.906 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 36 1.558 -22.020 -4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.432 -24.126 -2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.737 -24.153 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.119 -23.875 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.699 -22.109 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.326 -21.678 -1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.402 -20.528 -2.308 1.00 0.00 H new ATOM 602 N ALA A 37 6.665 -22.587 -3.824 1.00 0.00 N ATOM 603 CA ALA A 37 7.947 -22.707 -4.502 1.00 0.00 C ATOM 604 C ALA A 37 7.923 -23.944 -5.416 1.00 0.00 C ATOM 605 O ALA A 37 7.066 -24.815 -5.233 1.00 0.00 O ATOM 606 CB ALA A 37 9.022 -22.849 -3.423 1.00 0.00 C ATOM 0 H ALA A 37 6.279 -23.493 -3.557 1.00 0.00 H new ATOM 0 HA ALA A 37 8.155 -21.834 -5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.000 -22.942 -3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.011 -21.969 -2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.822 -23.738 -2.825 1.00 0.00 H new ATOM 612 N PRO A 38 8.837 -24.057 -6.395 1.00 0.00 N ATOM 613 CA PRO A 38 8.973 -25.271 -7.191 1.00 0.00 C ATOM 614 C PRO A 38 9.383 -26.470 -6.316 1.00 0.00 C ATOM 615 O PRO A 38 9.948 -26.281 -5.234 1.00 0.00 O ATOM 616 CB PRO A 38 10.016 -24.945 -8.266 1.00 0.00 C ATOM 617 CG PRO A 38 10.827 -23.799 -7.667 1.00 0.00 C ATOM 618 CD PRO A 38 9.797 -23.049 -6.828 1.00 0.00 C ATOM 0 HA PRO A 38 8.028 -25.566 -7.648 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.646 -25.807 -8.484 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.543 -24.651 -9.203 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.654 -24.165 -7.058 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.258 -23.163 -8.440 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.267 -22.562 -5.973 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.309 -22.268 -7.412 1.00 0.00 H new ATOM 626 N PRO A 39 9.139 -27.712 -6.776 1.00 0.00 N ATOM 627 CA PRO A 39 9.434 -28.919 -6.010 1.00 0.00 C ATOM 628 C PRO A 39 10.938 -29.170 -5.837 1.00 0.00 C ATOM 629 O PRO A 39 11.325 -29.849 -4.885 1.00 0.00 O ATOM 630 CB PRO A 39 8.754 -30.064 -6.771 1.00 0.00 C ATOM 631 CG PRO A 39 8.694 -29.559 -8.211 1.00 0.00 C ATOM 632 CD PRO A 39 8.500 -28.055 -8.038 1.00 0.00 C ATOM 0 HA PRO A 39 9.059 -28.826 -4.991 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.325 -30.989 -6.695 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.759 -30.270 -6.378 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.609 -29.788 -8.758 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.871 -30.011 -8.764 1.00 0.00 H new ATOM 0 HD2 PRO A 39 8.950 -27.506 -8.865 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.441 -27.797 -8.022 1.00 0.00 H new ATOM 846 N LYS A 57 3.413 -27.951 -11.290 1.00 0.00 N ATOM 847 CA LYS A 57 3.089 -28.125 -9.886 1.00 0.00 C ATOM 848 C LYS A 57 3.975 -27.213 -9.044 1.00 0.00 C ATOM 849 O LYS A 57 4.976 -26.689 -9.543 1.00 0.00 O ATOM 850 CB LYS A 57 3.258 -29.607 -9.515 1.00 0.00 C ATOM 851 CG LYS A 57 4.715 -30.109 -9.449 1.00 0.00 C ATOM 852 CD LYS A 57 4.826 -31.544 -8.910 1.00 0.00 C ATOM 853 CE LYS A 57 4.597 -31.620 -7.390 1.00 0.00 C ATOM 854 NZ LYS A 57 4.815 -32.993 -6.870 1.00 0.00 N ATOM 0 HA LYS A 57 2.054 -27.846 -9.689 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.788 -29.778 -8.546 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.716 -30.211 -10.243 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.155 -30.065 -10.445 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.296 -29.441 -8.814 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.097 -32.177 -9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.813 -31.943 -9.146 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.272 -30.928 -6.885 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.581 -31.300 -7.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.904 -32.962 -5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.008 -33.595 -7.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.686 -33.385 -7.280 1.00 0.00 H new ATOM 868 N ALA A 58 3.636 -27.093 -7.768 1.00 0.00 N ATOM 869 CA ALA A 58 4.370 -26.350 -6.754 1.00 0.00 C ATOM 870 C ALA A 58 4.227 -27.059 -5.415 1.00 0.00 C ATOM 871 O ALA A 58 3.457 -28.011 -5.287 1.00 0.00 O ATOM 872 CB ALA A 58 3.800 -24.930 -6.671 1.00 0.00 C ATOM 0 H ALA A 58 2.797 -27.535 -7.393 1.00 0.00 H new ATOM 0 HA ALA A 58 5.427 -26.296 -7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.343 -24.364 -5.914 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.907 -24.438 -7.638 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.745 -24.977 -6.402 1.00 0.00 H new ATOM 878 N ILE A 59 4.955 -26.588 -4.407 1.00 0.00 N ATOM 879 CA ILE A 59 4.908 -27.096 -3.046 1.00 0.00 C ATOM 880 C ILE A 59 5.070 -25.901 -2.097 1.00 0.00 C ATOM 881 O ILE A 59 5.588 -24.861 -2.508 1.00 0.00 O ATOM 882 CB ILE A 59 5.979 -28.198 -2.842 1.00 0.00 C ATOM 883 CG1 ILE A 59 7.419 -27.654 -2.713 1.00 0.00 C ATOM 884 CG2 ILE A 59 5.922 -29.297 -3.928 1.00 0.00 C ATOM 885 CD1 ILE A 59 8.382 -28.733 -2.210 1.00 0.00 C ATOM 0 H ILE A 59 5.614 -25.818 -4.522 1.00 0.00 H new ATOM 0 HA ILE A 59 3.954 -27.577 -2.831 1.00 0.00 H new ATOM 0 HB ILE A 59 5.718 -28.648 -1.884 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.758 -27.285 -3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.429 -26.807 -2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.695 -30.041 -3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.943 -29.777 -3.909 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.088 -28.849 -4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.386 -28.316 -2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.056 -29.083 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.390 -29.568 -2.910 1.00 0.00 H new ATOM 897 N VAL A 60 4.640 -26.012 -0.841 1.00 0.00 N ATOM 898 CA VAL A 60 4.777 -24.930 0.127 1.00 0.00 C ATOM 899 C VAL A 60 6.152 -25.079 0.785 1.00 0.00 C ATOM 900 O VAL A 60 6.500 -26.169 1.246 1.00 0.00 O ATOM 901 CB VAL A 60 3.629 -24.976 1.159 1.00 0.00 C ATOM 902 CG1 VAL A 60 3.641 -23.707 2.026 1.00 0.00 C ATOM 903 CG2 VAL A 60 2.235 -25.086 0.515 1.00 0.00 C ATOM 0 H VAL A 60 4.190 -26.849 -0.470 1.00 0.00 H new ATOM 0 HA VAL A 60 4.709 -23.957 -0.359 1.00 0.00 H new ATOM 0 HB VAL A 60 3.805 -25.871 1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.827 -23.753 2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.592 -23.636 2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.513 -22.831 1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.475 -25.114 1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.063 -24.224 -0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.179 -25.999 -0.078 1.00 0.00 H new ATOM 913 N LYS A 61 6.912 -23.988 0.889 1.00 0.00 N ATOM 914 CA LYS A 61 8.213 -23.931 1.561 1.00 0.00 C ATOM 915 C LYS A 61 8.223 -22.775 2.550 1.00 0.00 C ATOM 916 O LYS A 61 7.395 -21.867 2.463 1.00 0.00 O ATOM 917 CB LYS A 61 9.347 -23.733 0.538 1.00 0.00 C ATOM 918 CG LYS A 61 9.675 -25.013 -0.233 1.00 0.00 C ATOM 919 CD LYS A 61 10.909 -24.795 -1.125 1.00 0.00 C ATOM 920 CE LYS A 61 11.017 -25.856 -2.230 1.00 0.00 C ATOM 921 NZ LYS A 61 12.149 -25.584 -3.149 1.00 0.00 N ATOM 0 H LYS A 61 6.631 -23.090 0.495 1.00 0.00 H new ATOM 0 HA LYS A 61 8.374 -24.873 2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.063 -22.952 -0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.241 -23.386 1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.862 -25.829 0.465 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.822 -25.306 -0.845 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.858 -23.805 -1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.809 -24.819 -0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.145 -26.839 -1.778 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.087 -25.885 -2.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.836 -25.710 -4.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.480 -24.607 -3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.927 -26.244 -2.947 1.00 0.00 H new ATOM 935 N LYS A 62 9.202 -22.792 3.452 1.00 0.00 N ATOM 936 CA LYS A 62 9.519 -21.685 4.353 1.00 0.00 C ATOM 937 C LYS A 62 10.992 -21.375 4.137 1.00 0.00 C ATOM 938 O LYS A 62 11.818 -22.287 4.199 1.00 0.00 O ATOM 939 CB LYS A 62 9.194 -22.060 5.812 1.00 0.00 C ATOM 940 CG LYS A 62 9.674 -21.017 6.841 1.00 0.00 C ATOM 941 CD LYS A 62 9.416 -21.494 8.278 1.00 0.00 C ATOM 942 CE LYS A 62 10.024 -20.505 9.283 1.00 0.00 C ATOM 943 NZ LYS A 62 9.941 -20.999 10.679 1.00 0.00 N ATOM 0 H LYS A 62 9.814 -23.598 3.580 1.00 0.00 H new ATOM 0 HA LYS A 62 8.918 -20.800 4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.116 -22.188 5.914 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.653 -23.022 6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.739 -20.830 6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.159 -20.071 6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.344 -21.586 8.451 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.849 -22.484 8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.068 -20.324 9.025 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.506 -19.549 9.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.364 -20.298 11.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.944 -21.147 10.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.457 -21.898 10.760 1.00 0.00 H new ATOM 957 N GLU A 63 11.317 -20.118 3.845 1.00 0.00 N ATOM 958 CA GLU A 63 12.638 -19.674 3.407 1.00 0.00 C ATOM 959 C GLU A 63 12.840 -18.229 3.876 1.00 0.00 C ATOM 960 O GLU A 63 11.881 -17.555 4.260 1.00 0.00 O ATOM 961 CB GLU A 63 12.749 -19.772 1.870 1.00 0.00 C ATOM 962 CG GLU A 63 12.779 -21.220 1.358 1.00 0.00 C ATOM 963 CD GLU A 63 12.997 -21.301 -0.160 1.00 0.00 C ATOM 964 OE1 GLU A 63 12.021 -21.093 -0.912 1.00 0.00 O ATOM 965 OE2 GLU A 63 14.128 -21.616 -0.599 1.00 0.00 O ATOM 0 H GLU A 63 10.644 -19.354 3.909 1.00 0.00 H new ATOM 0 HA GLU A 63 13.412 -20.310 3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.906 -19.250 1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.654 -19.259 1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.574 -21.765 1.866 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.841 -21.712 1.614 1.00 0.00 H new ATOM 972 N LEU A 64 14.083 -17.748 3.893 1.00 0.00 N ATOM 973 CA LEU A 64 14.406 -16.386 4.316 1.00 0.00 C ATOM 974 C LEU A 64 13.853 -15.393 3.289 1.00 0.00 C ATOM 975 O LEU A 64 14.054 -15.598 2.089 1.00 0.00 O ATOM 976 CB LEU A 64 15.936 -16.264 4.440 1.00 0.00 C ATOM 977 CG LEU A 64 16.425 -14.927 5.028 1.00 0.00 C ATOM 978 CD1 LEU A 64 16.065 -14.786 6.512 1.00 0.00 C ATOM 979 CD2 LEU A 64 17.946 -14.835 4.871 1.00 0.00 C ATOM 0 H LEU A 64 14.897 -18.295 3.613 1.00 0.00 H new ATOM 0 HA LEU A 64 13.954 -16.162 5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.303 -17.077 5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.379 -16.396 3.453 1.00 0.00 H new ATOM 0 HG LEU A 64 15.930 -14.122 4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.429 -13.829 6.885 1.00 0.00 H new ATOM 0 HD12 LEU A 64 14.982 -14.834 6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.527 -15.595 7.077 1.00 0.00 H new ATOM 0 HD21 LEU A 64 18.298 -13.890 5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 64 18.417 -15.662 5.402 1.00 0.00 H new ATOM 0 HD23 LEU A 64 18.206 -14.887 3.814 1.00 0.00 H new ATOM 991 N LEU A 65 13.214 -14.298 3.726 1.00 0.00 N ATOM 992 CA LEU A 65 12.598 -13.331 2.808 1.00 0.00 C ATOM 993 C LEU A 65 13.613 -12.815 1.797 1.00 0.00 C ATOM 994 O LEU A 65 13.310 -12.736 0.609 1.00 0.00 O ATOM 995 CB LEU A 65 11.958 -12.164 3.585 1.00 0.00 C ATOM 996 CG LEU A 65 11.201 -11.169 2.671 1.00 0.00 C ATOM 997 CD1 LEU A 65 10.046 -10.514 3.443 1.00 0.00 C ATOM 998 CD2 LEU A 65 12.078 -10.016 2.153 1.00 0.00 C ATOM 0 H LEU A 65 13.111 -14.060 4.713 1.00 0.00 H new ATOM 0 HA LEU A 65 11.809 -13.846 2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.267 -12.565 4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.735 -11.628 4.130 1.00 0.00 H new ATOM 0 HG LEU A 65 10.858 -11.765 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.521 -9.817 2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.353 -11.284 3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.443 -9.976 4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.480 -9.360 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.468 -9.448 2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.908 -10.422 1.574 1.00 0.00 H new ATOM 1010 N TYR A 66 14.821 -12.492 2.256 1.00 0.00 N ATOM 1011 CA TYR A 66 15.851 -11.894 1.417 1.00 0.00 C ATOM 1012 C TYR A 66 16.340 -12.850 0.320 1.00 0.00 C ATOM 1013 O TYR A 66 16.896 -12.387 -0.675 1.00 0.00 O ATOM 1014 CB TYR A 66 17.001 -11.400 2.307 1.00 0.00 C ATOM 1015 CG TYR A 66 16.536 -10.517 3.459 1.00 0.00 C ATOM 1016 CD1 TYR A 66 15.885 -9.296 3.193 1.00 0.00 C ATOM 1017 CD2 TYR A 66 16.699 -10.943 4.792 1.00 0.00 C ATOM 1018 CE1 TYR A 66 15.393 -8.510 4.250 1.00 0.00 C ATOM 1019 CE2 TYR A 66 16.212 -10.161 5.854 1.00 0.00 C ATOM 1020 CZ TYR A 66 15.552 -8.939 5.587 1.00 0.00 C ATOM 1021 OH TYR A 66 15.069 -8.169 6.603 1.00 0.00 O ATOM 0 H TYR A 66 15.111 -12.639 3.223 1.00 0.00 H new ATOM 0 HA TYR A 66 15.420 -11.043 0.890 1.00 0.00 H new ATOM 0 HB2 TYR A 66 17.534 -12.261 2.711 1.00 0.00 H new ATOM 0 HB3 TYR A 66 17.711 -10.843 1.695 1.00 0.00 H new ATOM 0 HD1 TYR A 66 15.763 -8.962 2.173 1.00 0.00 H new ATOM 0 HD2 TYR A 66 17.201 -11.876 4.999 1.00 0.00 H new ATOM 0 HE1 TYR A 66 14.892 -7.576 4.040 1.00 0.00 H new ATOM 0 HE2 TYR A 66 16.342 -10.493 6.873 1.00 0.00 H new ATOM 0 HH TYR A 66 15.258 -8.604 7.461 1.00 0.00 H new ATOM 1031 N ASP A 67 16.119 -14.164 0.462 1.00 0.00 N ATOM 1032 CA ASP A 67 16.369 -15.124 -0.612 1.00 0.00 C ATOM 1033 C ASP A 67 15.153 -15.210 -1.539 1.00 0.00 C ATOM 1034 O ASP A 67 15.310 -15.152 -2.758 1.00 0.00 O ATOM 1035 CB ASP A 67 16.689 -16.509 -0.044 1.00 0.00 C ATOM 1036 CG ASP A 67 16.963 -17.498 -1.189 1.00 0.00 C ATOM 1037 OD1 ASP A 67 18.083 -17.482 -1.748 1.00 0.00 O ATOM 1038 OD2 ASP A 67 16.070 -18.306 -1.525 1.00 0.00 O ATOM 0 H ASP A 67 15.764 -14.585 1.320 1.00 0.00 H new ATOM 0 HA ASP A 67 17.231 -14.777 -1.182 1.00 0.00 H new ATOM 0 HB2 ASP A 67 17.558 -16.450 0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.855 -16.864 0.562 1.00 0.00 H new ATOM 1043 N VAL A 68 13.941 -15.271 -0.972 1.00 0.00 N ATOM 1044 CA VAL A 68 12.682 -15.308 -1.725 1.00 0.00 C ATOM 1045 C VAL A 68 12.527 -14.064 -2.614 1.00 0.00 C ATOM 1046 O VAL A 68 11.934 -14.152 -3.692 1.00 0.00 O ATOM 1047 CB VAL A 68 11.499 -15.508 -0.747 1.00 0.00 C ATOM 1048 CG1 VAL A 68 10.128 -15.439 -1.437 1.00 0.00 C ATOM 1049 CG2 VAL A 68 11.631 -16.890 -0.082 1.00 0.00 C ATOM 0 H VAL A 68 13.806 -15.296 0.039 1.00 0.00 H new ATOM 0 HA VAL A 68 12.691 -16.158 -2.407 1.00 0.00 H new ATOM 0 HB VAL A 68 11.546 -14.697 -0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.341 -15.587 -0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.006 -14.463 -1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.063 -16.218 -2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.802 -17.042 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.611 -17.666 -0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.573 -16.943 0.464 1.00 0.00 H new ATOM 1059 N ALA A 69 13.098 -12.925 -2.207 1.00 0.00 N ATOM 1060 CA ALA A 69 13.114 -11.701 -2.990 1.00 0.00 C ATOM 1061 C ALA A 69 13.732 -11.908 -4.380 1.00 0.00 C ATOM 1062 O ALA A 69 13.308 -11.227 -5.312 1.00 0.00 O ATOM 1063 CB ALA A 69 13.846 -10.603 -2.209 1.00 0.00 C ATOM 0 H ALA A 69 13.569 -12.834 -1.307 1.00 0.00 H new ATOM 0 HA ALA A 69 12.083 -11.391 -3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 69 13.858 -9.685 -2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.331 -10.423 -1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.870 -10.919 -2.009 1.00 0.00 H new ATOM 1069 N GLY A 70 14.669 -12.848 -4.556 1.00 0.00 N ATOM 1070 CA GLY A 70 15.282 -13.188 -5.841 1.00 0.00 C ATOM 1071 C GLY A 70 15.781 -11.946 -6.584 1.00 0.00 C ATOM 1072 O GLY A 70 16.732 -11.304 -6.139 1.00 0.00 O ATOM 0 H GLY A 70 15.030 -13.408 -3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.115 -13.871 -5.676 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.556 -13.714 -6.461 1.00 0.00 H new ATOM 1076 N SER A 71 15.105 -11.584 -7.681 1.00 0.00 N ATOM 1077 CA SER A 71 15.347 -10.396 -8.506 1.00 0.00 C ATOM 1078 C SER A 71 15.161 -9.050 -7.768 1.00 0.00 C ATOM 1079 O SER A 71 15.370 -7.995 -8.370 1.00 0.00 O ATOM 1080 CB SER A 71 14.408 -10.461 -9.722 1.00 0.00 C ATOM 1081 OG SER A 71 14.334 -11.781 -10.252 1.00 0.00 O ATOM 0 H SER A 71 14.331 -12.145 -8.036 1.00 0.00 H new ATOM 0 HA SER A 71 16.397 -10.417 -8.798 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.412 -10.127 -9.432 1.00 0.00 H new ATOM 0 HB3 SER A 71 14.761 -9.777 -10.493 1.00 0.00 H new ATOM 0 HG SER A 71 13.729 -11.791 -11.023 1.00 0.00 H new ATOM 1087 N ASP A 72 14.796 -9.091 -6.481 1.00 0.00 N ATOM 1088 CA ASP A 72 14.504 -7.992 -5.566 1.00 0.00 C ATOM 1089 C ASP A 72 13.241 -7.207 -5.915 1.00 0.00 C ATOM 1090 O ASP A 72 12.727 -7.303 -7.031 1.00 0.00 O ATOM 1091 CB ASP A 72 15.754 -7.125 -5.347 1.00 0.00 C ATOM 1092 CG ASP A 72 15.639 -6.165 -4.151 1.00 0.00 C ATOM 1093 OD1 ASP A 72 14.951 -6.504 -3.162 1.00 0.00 O ATOM 1094 OD2 ASP A 72 16.246 -5.071 -4.196 1.00 0.00 O ATOM 0 H ASP A 72 14.688 -9.990 -6.011 1.00 0.00 H new ATOM 0 HA ASP A 72 14.252 -8.432 -4.601 1.00 0.00 H new ATOM 0 HB2 ASP A 72 16.615 -7.776 -5.197 1.00 0.00 H new ATOM 0 HB3 ASP A 72 15.946 -6.545 -6.250 1.00 0.00 H new ATOM 1099 N LYS A 73 12.738 -6.501 -4.895 1.00 0.00 N ATOM 1100 CA LYS A 73 11.546 -5.659 -4.790 1.00 0.00 C ATOM 1101 C LYS A 73 10.419 -6.470 -4.182 1.00 0.00 C ATOM 1102 O LYS A 73 10.117 -7.580 -4.620 1.00 0.00 O ATOM 1103 CB LYS A 73 11.101 -4.979 -6.090 1.00 0.00 C ATOM 1104 CG LYS A 73 12.085 -3.856 -6.434 1.00 0.00 C ATOM 1105 CD LYS A 73 11.752 -3.139 -7.750 1.00 0.00 C ATOM 1106 CE LYS A 73 11.954 -4.062 -8.962 1.00 0.00 C ATOM 1107 NZ LYS A 73 11.728 -3.353 -10.248 1.00 0.00 N ATOM 0 H LYS A 73 13.230 -6.512 -4.001 1.00 0.00 H new ATOM 0 HA LYS A 73 11.820 -4.826 -4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.063 -5.707 -6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.095 -4.575 -5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.092 -3.128 -5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.091 -4.271 -6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.719 -2.791 -7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.383 -2.257 -7.854 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.966 -4.466 -8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.271 -4.909 -8.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.875 -4.013 -11.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.754 -2.989 -10.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.397 -2.561 -10.330 1.00 0.00 H new ATOM 1121 N TYR A 74 9.803 -5.891 -3.161 1.00 0.00 N ATOM 1122 CA TYR A 74 8.732 -6.493 -2.380 1.00 0.00 C ATOM 1123 C TYR A 74 8.048 -5.406 -1.556 1.00 0.00 C ATOM 1124 O TYR A 74 8.609 -4.323 -1.365 1.00 0.00 O ATOM 1125 CB TYR A 74 9.283 -7.621 -1.487 1.00 0.00 C ATOM 1126 CG TYR A 74 10.430 -7.244 -0.565 1.00 0.00 C ATOM 1127 CD1 TYR A 74 10.168 -6.758 0.730 1.00 0.00 C ATOM 1128 CD2 TYR A 74 11.762 -7.396 -1.000 1.00 0.00 C ATOM 1129 CE1 TYR A 74 11.231 -6.408 1.582 1.00 0.00 C ATOM 1130 CE2 TYR A 74 12.829 -7.037 -0.158 1.00 0.00 C ATOM 1131 CZ TYR A 74 12.567 -6.536 1.139 1.00 0.00 C ATOM 1132 OH TYR A 74 13.588 -6.173 1.966 1.00 0.00 O ATOM 0 H TYR A 74 10.045 -4.953 -2.842 1.00 0.00 H new ATOM 0 HA TYR A 74 7.995 -6.943 -3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.466 -8.006 -0.878 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.614 -8.437 -2.130 1.00 0.00 H new ATOM 0 HD1 TYR A 74 9.148 -6.654 1.070 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.964 -7.790 -1.985 1.00 0.00 H new ATOM 0 HE1 TYR A 74 11.026 -6.041 2.577 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.848 -7.144 -0.501 1.00 0.00 H new ATOM 0 HH TYR A 74 14.444 -6.323 1.514 1.00 0.00 H new ATOM 1142 N GLN A 75 6.833 -5.688 -1.086 1.00 0.00 N ATOM 1143 CA GLN A 75 5.992 -4.775 -0.320 1.00 0.00 C ATOM 1144 C GLN A 75 5.152 -5.599 0.659 1.00 0.00 C ATOM 1145 O GLN A 75 4.909 -6.784 0.414 1.00 0.00 O ATOM 1146 CB GLN A 75 5.061 -3.981 -1.260 1.00 0.00 C ATOM 1147 CG GLN A 75 5.793 -3.077 -2.266 1.00 0.00 C ATOM 1148 CD GLN A 75 4.860 -2.130 -3.023 1.00 0.00 C ATOM 1149 OE1 GLN A 75 5.006 -0.910 -2.961 1.00 0.00 O ATOM 1150 NE2 GLN A 75 3.906 -2.631 -3.793 1.00 0.00 N ATOM 0 H GLN A 75 6.392 -6.596 -1.236 1.00 0.00 H new ATOM 0 HA GLN A 75 6.620 -4.066 0.220 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.435 -4.684 -1.810 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.394 -3.366 -0.656 1.00 0.00 H new ATOM 0 HG2 GLN A 75 6.543 -2.490 -1.736 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.325 -3.701 -2.984 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.776 -3.641 -3.852 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.301 -2.007 -4.327 1.00 0.00 H new ATOM 1159 N VAL A 76 4.684 -4.989 1.747 1.00 0.00 N ATOM 1160 CA VAL A 76 3.680 -5.595 2.614 1.00 0.00 C ATOM 1161 C VAL A 76 2.321 -5.148 2.066 1.00 0.00 C ATOM 1162 O VAL A 76 2.152 -3.979 1.706 1.00 0.00 O ATOM 1163 CB VAL A 76 3.949 -5.234 4.094 1.00 0.00 C ATOM 1164 CG1 VAL A 76 3.733 -3.757 4.449 1.00 0.00 C ATOM 1165 CG2 VAL A 76 3.109 -6.100 5.039 1.00 0.00 C ATOM 0 H VAL A 76 4.990 -4.064 2.050 1.00 0.00 H new ATOM 0 HA VAL A 76 3.709 -6.685 2.609 1.00 0.00 H new ATOM 0 HB VAL A 76 5.012 -5.436 4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.946 -3.602 5.507 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.400 -3.137 3.850 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.699 -3.481 4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.321 -5.822 6.072 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.050 -5.944 4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.358 -7.150 4.888 1.00 0.00 H new ATOM 1175 N ASN A 77 1.361 -6.066 1.942 1.00 0.00 N ATOM 1176 CA ASN A 77 0.079 -5.772 1.303 1.00 0.00 C ATOM 1177 C ASN A 77 -1.006 -6.696 1.847 1.00 0.00 C ATOM 1178 O ASN A 77 -1.383 -7.673 1.201 1.00 0.00 O ATOM 1179 CB ASN A 77 0.190 -5.860 -0.230 1.00 0.00 C ATOM 1180 CG ASN A 77 -1.089 -5.390 -0.927 1.00 0.00 C ATOM 1181 OD1 ASN A 77 -2.054 -4.960 -0.299 1.00 0.00 O ATOM 1182 ND2 ASN A 77 -1.104 -5.421 -2.246 1.00 0.00 N ATOM 0 H ASN A 77 1.449 -7.025 2.278 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.203 -4.747 1.543 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.030 -5.254 -0.568 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.403 -6.889 -0.519 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.922 -5.086 -2.755 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.297 -5.780 -2.757 1.00 0.00 H new ATOM 1189 N ASN A 78 -1.467 -6.422 3.071 1.00 0.00 N ATOM 1190 CA ASN A 78 -2.605 -7.111 3.686 1.00 0.00 C ATOM 1191 C ASN A 78 -3.879 -6.735 2.929 1.00 0.00 C ATOM 1192 O ASN A 78 -4.552 -5.760 3.278 1.00 0.00 O ATOM 1193 CB ASN A 78 -2.735 -6.752 5.174 1.00 0.00 C ATOM 1194 CG ASN A 78 -1.650 -7.370 6.044 1.00 0.00 C ATOM 1195 OD1 ASN A 78 -1.224 -8.502 5.833 1.00 0.00 O ATOM 1196 ND2 ASN A 78 -1.173 -6.640 7.034 1.00 0.00 N ATOM 0 H ASN A 78 -1.055 -5.706 3.670 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.445 -8.187 3.625 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.703 -5.668 5.282 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.710 -7.080 5.535 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.440 -7.014 7.637 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.537 -5.701 7.197 1.00 0.00 H new ATOM 1203 N LYS A 79 -4.175 -7.451 1.842 1.00 0.00 N ATOM 1204 CA LYS A 79 -5.261 -7.073 0.937 1.00 0.00 C ATOM 1205 C LYS A 79 -6.592 -7.110 1.688 1.00 0.00 C ATOM 1206 O LYS A 79 -6.948 -8.151 2.236 1.00 0.00 O ATOM 1207 CB LYS A 79 -5.297 -7.976 -0.311 1.00 0.00 C ATOM 1208 CG LYS A 79 -4.150 -7.637 -1.281 1.00 0.00 C ATOM 1209 CD LYS A 79 -4.215 -8.367 -2.632 1.00 0.00 C ATOM 1210 CE LYS A 79 -5.506 -8.053 -3.407 1.00 0.00 C ATOM 1211 NZ LYS A 79 -5.407 -8.405 -4.843 1.00 0.00 N ATOM 0 H LYS A 79 -3.676 -8.297 1.567 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.083 -6.056 0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.224 -9.021 -0.009 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.253 -7.858 -0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.152 -6.562 -1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.202 -7.876 -0.799 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.354 -8.084 -3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.147 -9.442 -2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.336 -8.599 -2.959 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.734 -6.991 -3.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.336 -8.286 -5.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.715 -7.782 -5.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.100 -9.394 -4.938 1.00 0.00 H new ATOM 1225 N HIS A 80 -7.327 -5.990 1.663 1.00 0.00 N ATOM 1226 CA HIS A 80 -8.652 -5.806 2.255 1.00 0.00 C ATOM 1227 C HIS A 80 -8.736 -6.346 3.676 1.00 0.00 C ATOM 1228 O HIS A 80 -9.738 -6.945 4.063 1.00 0.00 O ATOM 1229 CB HIS A 80 -9.752 -6.323 1.319 1.00 0.00 C ATOM 1230 CG HIS A 80 -9.786 -5.602 -0.005 1.00 0.00 C ATOM 1231 ND1 HIS A 80 -10.381 -4.357 -0.235 1.00 0.00 N ATOM 1232 CD2 HIS A 80 -9.189 -6.030 -1.155 1.00 0.00 C ATOM 1233 CE1 HIS A 80 -10.129 -4.069 -1.525 1.00 0.00 C ATOM 1234 NE2 HIS A 80 -9.421 -5.057 -2.100 1.00 0.00 N ATOM 0 H HIS A 80 -6.991 -5.144 1.203 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.827 -4.735 2.362 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.601 -7.388 1.143 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.719 -6.216 1.810 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.642 -6.951 -1.296 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.451 -3.169 -2.029 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.109 -5.081 -3.071 1.00 0.00 H new ATOM 1242 N ASP A 81 -7.715 -6.054 4.483 1.00 0.00 N ATOM 1243 CA ASP A 81 -7.680 -6.356 5.918 1.00 0.00 C ATOM 1244 C ASP A 81 -8.906 -5.848 6.692 1.00 0.00 C ATOM 1245 O ASP A 81 -9.191 -6.320 7.792 1.00 0.00 O ATOM 1246 CB ASP A 81 -6.418 -5.731 6.520 1.00 0.00 C ATOM 1247 CG ASP A 81 -6.171 -6.230 7.948 1.00 0.00 C ATOM 1248 OD1 ASP A 81 -5.864 -7.434 8.098 1.00 0.00 O ATOM 1249 OD2 ASP A 81 -6.221 -5.419 8.903 1.00 0.00 O ATOM 0 H ASP A 81 -6.869 -5.590 4.151 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.682 -7.442 6.012 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.558 -5.972 5.895 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.515 -4.645 6.524 1.00 0.00 H new ATOM 1254 N ASP A 82 -9.644 -4.894 6.116 1.00 0.00 N ATOM 1255 CA ASP A 82 -10.842 -4.304 6.716 1.00 0.00 C ATOM 1256 C ASP A 82 -12.078 -5.161 6.437 1.00 0.00 C ATOM 1257 O ASP A 82 -13.000 -5.213 7.254 1.00 0.00 O ATOM 1258 CB ASP A 82 -11.059 -2.896 6.151 1.00 0.00 C ATOM 1259 CG ASP A 82 -12.335 -2.253 6.723 1.00 0.00 C ATOM 1260 OD1 ASP A 82 -12.342 -1.870 7.914 1.00 0.00 O ATOM 1261 OD2 ASP A 82 -13.323 -2.090 5.972 1.00 0.00 O ATOM 0 H ASP A 82 -9.420 -4.503 5.201 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.695 -4.254 7.795 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.198 -2.271 6.386 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.130 -2.945 5.064 1.00 0.00 H new ATOM 1266 N LYS A 83 -12.093 -5.856 5.294 1.00 0.00 N ATOM 1267 CA LYS A 83 -13.202 -6.712 4.878 1.00 0.00 C ATOM 1268 C LYS A 83 -12.988 -8.142 5.367 1.00 0.00 C ATOM 1269 O LYS A 83 -13.959 -8.840 5.667 1.00 0.00 O ATOM 1270 CB LYS A 83 -13.334 -6.717 3.344 1.00 0.00 C ATOM 1271 CG LYS A 83 -13.383 -5.316 2.716 1.00 0.00 C ATOM 1272 CD LYS A 83 -13.711 -5.412 1.220 1.00 0.00 C ATOM 1273 CE LYS A 83 -13.688 -4.007 0.611 1.00 0.00 C ATOM 1274 NZ LYS A 83 -13.983 -4.019 -0.843 1.00 0.00 N ATOM 0 H LYS A 83 -11.323 -5.837 4.625 1.00 0.00 H new ATOM 0 HA LYS A 83 -14.116 -6.314 5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.493 -7.265 2.919 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -14.239 -7.259 3.069 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.135 -4.710 3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.425 -4.815 2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.986 -6.052 0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -14.691 -5.867 1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.418 -3.380 1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.709 -3.557 0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.956 -3.047 -1.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.272 -4.596 -1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.928 -4.423 -1.002 1.00 0.00 H new ATOM 1288 N TYR A 84 -11.731 -8.587 5.408 1.00 0.00 N ATOM 1289 CA TYR A 84 -11.375 -9.974 5.663 1.00 0.00 C ATOM 1290 C TYR A 84 -11.408 -10.331 7.161 1.00 0.00 C ATOM 1291 O TYR A 84 -11.665 -9.491 8.027 1.00 0.00 O ATOM 1292 CB TYR A 84 -10.010 -10.273 5.022 1.00 0.00 C ATOM 1293 CG TYR A 84 -10.081 -10.810 3.604 1.00 0.00 C ATOM 1294 CD1 TYR A 84 -10.540 -12.122 3.368 1.00 0.00 C ATOM 1295 CD2 TYR A 84 -9.641 -10.024 2.527 1.00 0.00 C ATOM 1296 CE1 TYR A 84 -10.550 -12.645 2.063 1.00 0.00 C ATOM 1297 CE2 TYR A 84 -9.652 -10.535 1.218 1.00 0.00 C ATOM 1298 CZ TYR A 84 -10.104 -11.853 0.980 1.00 0.00 C ATOM 1299 OH TYR A 84 -10.103 -12.342 -0.290 1.00 0.00 O ATOM 0 H TYR A 84 -10.924 -7.981 5.262 1.00 0.00 H new ATOM 0 HA TYR A 84 -12.128 -10.613 5.202 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.416 -9.359 5.021 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.482 -10.996 5.644 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -10.885 -12.728 4.193 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -9.291 -9.018 2.706 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -10.898 -13.652 1.888 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -9.316 -9.922 0.395 1.00 0.00 H new ATOM 0 HH TYR A 84 -10.302 -13.301 -0.271 1.00 0.00 H new ATOM 1309 N SER A 85 -11.175 -11.617 7.425 1.00 0.00 N ATOM 1310 CA SER A 85 -11.236 -12.314 8.705 1.00 0.00 C ATOM 1311 C SER A 85 -10.329 -11.697 9.795 1.00 0.00 C ATOM 1312 O SER A 85 -9.361 -11.004 9.473 1.00 0.00 O ATOM 1313 CB SER A 85 -10.862 -13.783 8.434 1.00 0.00 C ATOM 1314 OG SER A 85 -11.433 -14.240 7.216 1.00 0.00 O ATOM 0 H SER A 85 -10.914 -12.256 6.674 1.00 0.00 H new ATOM 0 HA SER A 85 -12.245 -12.225 9.109 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.777 -13.883 8.391 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.207 -14.407 9.258 1.00 0.00 H new ATOM 0 HG SER A 85 -10.894 -14.976 6.858 1.00 0.00 H new ATOM 1320 N PRO A 86 -10.591 -11.976 11.088 1.00 0.00 N ATOM 1321 CA PRO A 86 -9.958 -11.286 12.216 1.00 0.00 C ATOM 1322 C PRO A 86 -8.705 -11.960 12.789 1.00 0.00 C ATOM 1323 O PRO A 86 -8.142 -11.470 13.770 1.00 0.00 O ATOM 1324 CB PRO A 86 -11.051 -11.290 13.281 1.00 0.00 C ATOM 1325 CG PRO A 86 -11.722 -12.648 13.087 1.00 0.00 C ATOM 1326 CD PRO A 86 -11.667 -12.836 11.574 1.00 0.00 C ATOM 0 HA PRO A 86 -9.603 -10.308 11.892 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.637 -11.185 14.284 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -11.754 -10.469 13.139 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -11.191 -13.441 13.613 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.747 -12.650 13.458 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -11.475 -13.878 11.319 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -12.618 -12.565 11.115 1.00 0.00 H new ATOM 1334 N LEU A 87 -8.329 -13.103 12.215 1.00 0.00 N ATOM 1335 CA LEU A 87 -7.318 -14.047 12.693 1.00 0.00 C ATOM 1336 C LEU A 87 -6.116 -13.345 13.352 1.00 0.00 C ATOM 1337 O LEU A 87 -5.446 -12.557 12.677 1.00 0.00 O ATOM 1338 CB LEU A 87 -6.833 -14.922 11.524 1.00 0.00 C ATOM 1339 CG LEU A 87 -7.843 -15.943 10.965 1.00 0.00 C ATOM 1340 CD1 LEU A 87 -7.161 -16.799 9.890 1.00 0.00 C ATOM 1341 CD2 LEU A 87 -8.412 -16.880 12.038 1.00 0.00 C ATOM 0 H LEU A 87 -8.753 -13.416 11.342 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.788 -14.665 13.458 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.526 -14.265 10.710 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.945 -15.464 11.849 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.672 -15.367 10.554 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.874 -17.522 9.494 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.809 -16.157 9.083 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.315 -17.328 10.329 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.116 -17.574 11.579 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.599 -17.441 12.500 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.926 -16.292 12.799 1.00 0.00 H new ATOM 1353 N PRO A 88 -5.829 -13.608 14.644 1.00 0.00 N ATOM 1354 CA PRO A 88 -4.624 -13.122 15.306 1.00 0.00 C ATOM 1355 C PRO A 88 -3.357 -13.529 14.552 1.00 0.00 C ATOM 1356 O PRO A 88 -3.305 -14.599 13.936 1.00 0.00 O ATOM 1357 CB PRO A 88 -4.636 -13.730 16.713 1.00 0.00 C ATOM 1358 CG PRO A 88 -6.112 -14.021 16.972 1.00 0.00 C ATOM 1359 CD PRO A 88 -6.646 -14.363 15.583 1.00 0.00 C ATOM 0 HA PRO A 88 -4.618 -12.032 15.338 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.035 -14.638 16.761 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.229 -13.039 17.451 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.243 -14.848 17.669 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.624 -13.159 17.400 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.575 -15.433 15.390 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.698 -14.092 15.491 1.00 0.00 H new ATOM 1367 N CYS A 89 -2.310 -12.707 14.671 1.00 0.00 N ATOM 1368 CA CYS A 89 -1.016 -12.952 14.046 1.00 0.00 C ATOM 1369 C CYS A 89 -0.495 -14.348 14.388 1.00 0.00 C ATOM 1370 O CYS A 89 -0.068 -15.068 13.491 1.00 0.00 O ATOM 1371 CB CYS A 89 -0.014 -11.878 14.495 1.00 0.00 C ATOM 1372 SG CYS A 89 -0.599 -10.221 14.024 1.00 0.00 S ATOM 0 H CYS A 89 -2.342 -11.843 15.212 1.00 0.00 H new ATOM 0 HA CYS A 89 -1.137 -12.900 12.964 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.122 -11.928 15.575 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.959 -12.069 14.042 1.00 0.00 H new ATOM 0 HG CYS A 89 0.262 -9.329 14.415 1.00 0.00 H new ATOM 1378 N SER A 90 -0.583 -14.751 15.659 1.00 0.00 N ATOM 1379 CA SER A 90 -0.131 -16.045 16.156 1.00 0.00 C ATOM 1380 C SER A 90 -0.769 -17.200 15.385 1.00 0.00 C ATOM 1381 O SER A 90 -0.072 -18.070 14.864 1.00 0.00 O ATOM 1382 CB SER A 90 -0.451 -16.118 17.656 1.00 0.00 C ATOM 1383 OG SER A 90 -1.755 -15.612 17.916 1.00 0.00 O ATOM 0 H SER A 90 -0.984 -14.164 16.390 1.00 0.00 H new ATOM 0 HA SER A 90 0.944 -16.142 16.005 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.381 -17.151 17.998 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.286 -15.545 18.219 1.00 0.00 H new ATOM 0 HG SER A 90 -1.942 -15.668 18.876 1.00 0.00 H new ATOM 1389 N LYS A 91 -2.096 -17.183 15.264 1.00 0.00 N ATOM 1390 CA LYS A 91 -2.862 -18.197 14.550 1.00 0.00 C ATOM 1391 C LYS A 91 -2.472 -18.239 13.075 1.00 0.00 C ATOM 1392 O LYS A 91 -2.433 -19.322 12.497 1.00 0.00 O ATOM 1393 CB LYS A 91 -4.374 -17.958 14.701 1.00 0.00 C ATOM 1394 CG LYS A 91 -4.880 -17.853 16.150 1.00 0.00 C ATOM 1395 CD LYS A 91 -4.585 -19.099 17.000 1.00 0.00 C ATOM 1396 CE LYS A 91 -5.215 -18.939 18.390 1.00 0.00 C ATOM 1397 NZ LYS A 91 -4.976 -20.121 19.257 1.00 0.00 N ATOM 0 H LYS A 91 -2.677 -16.449 15.668 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.625 -19.164 14.994 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.635 -17.040 14.175 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.905 -18.771 14.206 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.422 -16.985 16.623 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.956 -17.679 16.138 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.983 -19.988 16.510 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.508 -19.241 17.092 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.807 -18.050 18.871 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.288 -18.780 18.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.420 -19.967 20.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.388 -20.966 18.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.953 -20.259 19.382 1.00 0.00 H new ATOM 1411 N ILE A 92 -2.147 -17.101 12.462 1.00 0.00 N ATOM 1412 CA ILE A 92 -1.660 -17.076 11.088 1.00 0.00 C ATOM 1413 C ILE A 92 -0.303 -17.791 11.010 1.00 0.00 C ATOM 1414 O ILE A 92 -0.122 -18.602 10.100 1.00 0.00 O ATOM 1415 CB ILE A 92 -1.646 -15.626 10.555 1.00 0.00 C ATOM 1416 CG1 ILE A 92 -3.091 -15.074 10.497 1.00 0.00 C ATOM 1417 CG2 ILE A 92 -0.989 -15.560 9.166 1.00 0.00 C ATOM 1418 CD1 ILE A 92 -3.155 -13.547 10.433 1.00 0.00 C ATOM 0 H ILE A 92 -2.214 -16.182 12.900 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.333 -17.625 10.429 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.057 -15.010 11.235 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.596 -15.488 9.624 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.639 -15.417 11.375 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.991 -14.529 8.811 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.038 -15.919 9.232 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.548 -16.184 8.469 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.196 -13.228 10.394 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.679 -13.125 11.318 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.635 -13.198 9.541 1.00 0.00 H new ATOM 1430 N ILE A 93 0.629 -17.568 11.951 1.00 0.00 N ATOM 1431 CA ILE A 93 1.905 -18.282 11.957 1.00 0.00 C ATOM 1432 C ILE A 93 1.634 -19.784 12.093 1.00 0.00 C ATOM 1433 O ILE A 93 2.150 -20.583 11.316 1.00 0.00 O ATOM 1434 CB ILE A 93 2.846 -17.822 13.101 1.00 0.00 C ATOM 1435 CG1 ILE A 93 2.933 -16.318 13.407 1.00 0.00 C ATOM 1436 CG2 ILE A 93 4.250 -18.335 12.789 1.00 0.00 C ATOM 1437 CD1 ILE A 93 3.131 -15.397 12.203 1.00 0.00 C ATOM 0 H ILE A 93 0.518 -16.900 12.713 1.00 0.00 H new ATOM 0 HA ILE A 93 2.411 -18.059 11.018 1.00 0.00 H new ATOM 0 HB ILE A 93 2.398 -18.241 14.002 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.019 -16.019 13.921 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.757 -16.156 14.102 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.934 -18.025 13.579 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.235 -19.423 12.728 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.585 -17.923 11.837 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.178 -14.362 12.541 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.061 -15.656 11.696 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.296 -15.516 11.513 1.00 0.00 H new ATOM 1449 N GLN A 94 0.795 -20.153 13.062 1.00 0.00 N ATOM 1450 CA GLN A 94 0.401 -21.527 13.336 1.00 0.00 C ATOM 1451 C GLN A 94 -0.129 -22.184 12.063 1.00 0.00 C ATOM 1452 O GLN A 94 0.293 -23.284 11.720 1.00 0.00 O ATOM 1453 CB GLN A 94 -0.671 -21.546 14.443 1.00 0.00 C ATOM 1454 CG GLN A 94 -0.123 -21.342 15.861 1.00 0.00 C ATOM 1455 CD GLN A 94 0.832 -22.455 16.301 1.00 0.00 C ATOM 1456 OE1 GLN A 94 1.953 -22.200 16.736 1.00 0.00 O ATOM 1457 NE2 GLN A 94 0.427 -23.712 16.188 1.00 0.00 N ATOM 0 H GLN A 94 0.360 -19.481 13.694 1.00 0.00 H new ATOM 0 HA GLN A 94 1.269 -22.091 13.677 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.404 -20.767 14.235 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.199 -22.499 14.404 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.397 -20.385 15.909 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.956 -21.288 16.562 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.504 -23.917 15.826 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.047 -24.474 16.463 1.00 0.00 H new ATOM 1466 N ARG A 95 -1.018 -21.501 11.340 1.00 0.00 N ATOM 1467 CA ARG A 95 -1.595 -22.013 10.103 1.00 0.00 C ATOM 1468 C ARG A 95 -0.493 -22.226 9.064 1.00 0.00 C ATOM 1469 O ARG A 95 -0.370 -23.318 8.510 1.00 0.00 O ATOM 1470 CB ARG A 95 -2.704 -21.057 9.645 1.00 0.00 C ATOM 1471 CG ARG A 95 -3.493 -21.599 8.444 1.00 0.00 C ATOM 1472 CD ARG A 95 -4.908 -21.017 8.466 1.00 0.00 C ATOM 1473 NE ARG A 95 -5.670 -21.306 7.236 1.00 0.00 N ATOM 1474 CZ ARG A 95 -6.285 -22.451 6.918 1.00 0.00 C ATOM 1475 NH1 ARG A 95 -6.162 -23.532 7.685 1.00 0.00 N ATOM 1476 NH2 ARG A 95 -7.036 -22.504 5.823 1.00 0.00 N ATOM 0 H ARG A 95 -1.357 -20.575 11.599 1.00 0.00 H new ATOM 0 HA ARG A 95 -2.055 -22.990 10.254 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -3.389 -20.878 10.474 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.264 -20.095 9.381 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -2.992 -21.332 7.514 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -3.534 -22.688 8.482 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -5.447 -21.419 9.324 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -4.849 -19.937 8.605 1.00 0.00 H new ATOM 0 HE ARG A 95 -5.735 -20.551 6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.592 -23.496 8.530 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.638 -24.397 7.428 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -7.139 -21.677 5.235 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -7.509 -23.372 5.571 1.00 0.00 H new ATOM 1490 N ALA A 96 0.346 -21.213 8.840 1.00 0.00 N ATOM 1491 CA ALA A 96 1.433 -21.287 7.874 1.00 0.00 C ATOM 1492 C ALA A 96 2.357 -22.473 8.164 1.00 0.00 C ATOM 1493 O ALA A 96 2.713 -23.225 7.259 1.00 0.00 O ATOM 1494 CB ALA A 96 2.207 -19.962 7.878 1.00 0.00 C ATOM 0 H ALA A 96 0.287 -20.318 9.326 1.00 0.00 H new ATOM 0 HA ALA A 96 1.014 -21.449 6.881 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.022 -20.014 7.156 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.535 -19.147 7.609 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.615 -19.782 8.873 1.00 0.00 H new ATOM 1500 N GLU A 97 2.712 -22.672 9.431 1.00 0.00 N ATOM 1501 CA GLU A 97 3.667 -23.693 9.842 1.00 0.00 C ATOM 1502 C GLU A 97 3.017 -25.079 9.981 1.00 0.00 C ATOM 1503 O GLU A 97 3.734 -26.075 10.073 1.00 0.00 O ATOM 1504 CB GLU A 97 4.390 -23.259 11.126 1.00 0.00 C ATOM 1505 CG GLU A 97 5.263 -22.014 10.882 1.00 0.00 C ATOM 1506 CD GLU A 97 6.248 -21.736 12.031 1.00 0.00 C ATOM 1507 OE1 GLU A 97 5.860 -21.778 13.221 1.00 0.00 O ATOM 1508 OE2 GLU A 97 7.435 -21.465 11.736 1.00 0.00 O ATOM 0 H GLU A 97 2.341 -22.123 10.207 1.00 0.00 H new ATOM 0 HA GLU A 97 4.412 -23.793 9.052 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.657 -23.045 11.904 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.012 -24.077 11.490 1.00 0.00 H new ATOM 0 HG2 GLU A 97 5.822 -22.145 9.955 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.618 -21.146 10.746 1.00 0.00 H new ATOM 1515 N GLU A 98 1.683 -25.185 9.951 1.00 0.00 N ATOM 1516 CA GLU A 98 0.988 -26.457 9.841 1.00 0.00 C ATOM 1517 C GLU A 98 0.928 -26.890 8.372 1.00 0.00 C ATOM 1518 O GLU A 98 0.773 -28.081 8.093 1.00 0.00 O ATOM 1519 CB GLU A 98 -0.432 -26.337 10.426 1.00 0.00 C ATOM 1520 CG GLU A 98 -0.466 -26.478 11.956 1.00 0.00 C ATOM 1521 CD GLU A 98 -0.221 -27.927 12.417 1.00 0.00 C ATOM 1522 OE1 GLU A 98 -1.176 -28.738 12.426 1.00 0.00 O ATOM 1523 OE2 GLU A 98 0.921 -28.269 12.797 1.00 0.00 O ATOM 0 H GLU A 98 1.058 -24.380 10.003 1.00 0.00 H new ATOM 0 HA GLU A 98 1.532 -27.212 10.408 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.854 -25.372 10.146 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.068 -27.103 9.982 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.290 -25.827 12.395 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.433 -26.140 12.328 1.00 0.00 H new ATOM 1530 N LEU A 99 1.063 -25.942 7.434 1.00 0.00 N ATOM 1531 CA LEU A 99 0.801 -26.170 6.013 1.00 0.00 C ATOM 1532 C LEU A 99 2.068 -26.109 5.152 1.00 0.00 C ATOM 1533 O LEU A 99 2.033 -26.531 3.995 1.00 0.00 O ATOM 1534 CB LEU A 99 -0.280 -25.179 5.548 1.00 0.00 C ATOM 1535 CG LEU A 99 -1.616 -25.341 6.314 1.00 0.00 C ATOM 1536 CD1 LEU A 99 -2.577 -24.209 5.952 1.00 0.00 C ATOM 1537 CD2 LEU A 99 -2.309 -26.680 6.036 1.00 0.00 C ATOM 0 H LEU A 99 1.360 -24.989 7.646 1.00 0.00 H new ATOM 0 HA LEU A 99 0.434 -27.188 5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.087 -24.161 5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.459 -25.318 4.482 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.363 -25.308 7.374 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.512 -24.337 6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.129 -23.252 6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.777 -24.230 4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.239 -26.733 6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.527 -26.763 4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.654 -27.498 6.337 1.00 0.00 H new ATOM 1549 N VAL A 100 3.198 -25.638 5.688 1.00 0.00 N ATOM 1550 CA VAL A 100 4.498 -25.756 5.034 1.00 0.00 C ATOM 1551 C VAL A 100 4.808 -27.238 4.751 1.00 0.00 C ATOM 1552 O VAL A 100 4.411 -28.125 5.511 1.00 0.00 O ATOM 1553 CB VAL A 100 5.573 -25.037 5.876 1.00 0.00 C ATOM 1554 CG1 VAL A 100 5.829 -25.686 7.242 1.00 0.00 C ATOM 1555 CG2 VAL A 100 6.897 -24.930 5.111 1.00 0.00 C ATOM 0 H VAL A 100 3.233 -25.163 6.590 1.00 0.00 H new ATOM 0 HA VAL A 100 4.489 -25.259 4.064 1.00 0.00 H new ATOM 0 HB VAL A 100 5.168 -24.043 6.063 1.00 0.00 H new ATOM 0 HG11 VAL A 100 6.597 -25.124 7.774 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.908 -25.683 7.825 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.165 -26.713 7.100 1.00 0.00 H new ATOM 0 HG21 VAL A 100 7.635 -24.419 5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.258 -25.929 4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 100 6.741 -24.366 4.191 1.00 0.00 H new ATOM 1565 N GLY A 101 5.527 -27.510 3.657 1.00 0.00 N ATOM 1566 CA GLY A 101 5.953 -28.851 3.281 1.00 0.00 C ATOM 1567 C GLY A 101 4.857 -29.653 2.576 1.00 0.00 C ATOM 1568 O GLY A 101 5.119 -30.785 2.164 1.00 0.00 O ATOM 0 H GLY A 101 5.831 -26.790 3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.821 -28.780 2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.271 -29.389 4.174 1.00 0.00 H new ATOM 1572 N GLN A 102 3.646 -29.102 2.423 1.00 0.00 N ATOM 1573 CA GLN A 102 2.614 -29.716 1.602 1.00 0.00 C ATOM 1574 C GLN A 102 2.999 -29.586 0.135 1.00 0.00 C ATOM 1575 O GLN A 102 3.697 -28.648 -0.259 1.00 0.00 O ATOM 1576 CB GLN A 102 1.248 -29.059 1.852 1.00 0.00 C ATOM 1577 CG GLN A 102 0.661 -29.540 3.184 1.00 0.00 C ATOM 1578 CD GLN A 102 -0.744 -28.998 3.469 1.00 0.00 C ATOM 1579 OE1 GLN A 102 -1.250 -28.091 2.811 1.00 0.00 O ATOM 1580 NE2 GLN A 102 -1.420 -29.564 4.455 1.00 0.00 N ATOM 0 H GLN A 102 3.363 -28.226 2.863 1.00 0.00 H new ATOM 0 HA GLN A 102 2.532 -30.770 1.869 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.356 -27.974 1.865 1.00 0.00 H new ATOM 0 HB3 GLN A 102 0.566 -29.302 1.037 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.628 -30.629 3.184 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.327 -29.242 3.993 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.996 -30.316 4.998 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -2.365 -29.248 4.672 1.00 0.00 H new ATOM 1589 N GLU A 103 2.480 -30.497 -0.680 1.00 0.00 N ATOM 1590 CA GLU A 103 2.618 -30.449 -2.127 1.00 0.00 C ATOM 1591 C GLU A 103 1.265 -30.071 -2.720 1.00 0.00 C ATOM 1592 O GLU A 103 0.218 -30.442 -2.178 1.00 0.00 O ATOM 1593 CB GLU A 103 3.065 -31.810 -2.679 1.00 0.00 C ATOM 1594 CG GLU A 103 4.436 -32.263 -2.158 1.00 0.00 C ATOM 1595 CD GLU A 103 4.943 -33.493 -2.928 1.00 0.00 C ATOM 1596 OE1 GLU A 103 5.152 -33.393 -4.159 1.00 0.00 O ATOM 1597 OE2 GLU A 103 5.141 -34.565 -2.310 1.00 0.00 O ATOM 0 H GLU A 103 1.945 -31.299 -0.348 1.00 0.00 H new ATOM 0 HA GLU A 103 3.375 -29.713 -2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 103 2.320 -32.561 -2.418 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.098 -31.759 -3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.153 -31.448 -2.256 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.365 -32.499 -1.096 1.00 0.00 H new ATOM 1604 N VAL A 104 1.286 -29.376 -3.854 1.00 0.00 N ATOM 1605 CA VAL A 104 0.111 -29.053 -4.638 1.00 0.00 C ATOM 1606 C VAL A 104 0.385 -29.416 -6.104 1.00 0.00 C ATOM 1607 O VAL A 104 1.466 -29.900 -6.443 1.00 0.00 O ATOM 1608 CB VAL A 104 -0.275 -27.578 -4.405 1.00 0.00 C ATOM 1609 CG1 VAL A 104 -0.791 -27.342 -2.977 1.00 0.00 C ATOM 1610 CG2 VAL A 104 0.831 -26.563 -4.707 1.00 0.00 C ATOM 0 H VAL A 104 2.149 -29.014 -4.259 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.757 -29.636 -4.329 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.070 -27.403 -5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.052 -26.291 -2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.673 -27.958 -2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.014 -27.609 -2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.463 -25.555 -4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.693 -26.764 -4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.126 -26.646 -5.753 1.00 0.00 H new ATOM 1620 N LEU A 105 -0.604 -29.221 -6.981 1.00 0.00 N ATOM 1621 CA LEU A 105 -0.587 -29.704 -8.366 1.00 0.00 C ATOM 1622 C LEU A 105 -0.926 -28.578 -9.349 1.00 0.00 C ATOM 1623 O LEU A 105 -1.366 -28.823 -10.474 1.00 0.00 O ATOM 1624 CB LEU A 105 -1.585 -30.865 -8.499 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.268 -32.123 -7.666 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -2.401 -33.141 -7.828 1.00 0.00 C ATOM 1627 CD2 LEU A 105 0.061 -32.773 -8.075 1.00 0.00 C ATOM 0 H LEU A 105 -1.456 -28.713 -6.744 1.00 0.00 H new ATOM 0 HA LEU A 105 0.415 -30.054 -8.612 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.573 -30.504 -8.214 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.641 -31.152 -9.549 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.177 -31.813 -6.625 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.178 -34.031 -7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.337 -32.702 -7.482 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.496 -33.415 -8.879 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.239 -33.655 -7.460 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.015 -33.066 -9.124 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.874 -32.061 -7.932 1.00 0.00 H new ATOM 1639 N TYR A 106 -0.734 -27.339 -8.906 1.00 0.00 N ATOM 1640 CA TYR A 106 -0.920 -26.123 -9.685 1.00 0.00 C ATOM 1641 C TYR A 106 0.378 -25.312 -9.695 1.00 0.00 C ATOM 1642 O TYR A 106 1.260 -25.518 -8.859 1.00 0.00 O ATOM 1643 CB TYR A 106 -2.119 -25.333 -9.136 1.00 0.00 C ATOM 1644 CG TYR A 106 -2.085 -24.983 -7.653 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -1.163 -24.037 -7.160 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -3.013 -25.568 -6.769 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -1.179 -23.666 -5.805 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -3.042 -25.196 -5.413 1.00 0.00 C ATOM 1649 CZ TYR A 106 -2.127 -24.233 -4.926 1.00 0.00 C ATOM 1650 OH TYR A 106 -2.150 -23.841 -3.620 1.00 0.00 O ATOM 0 H TYR A 106 -0.431 -27.149 -7.951 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.149 -26.367 -10.722 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.204 -24.406 -9.703 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -3.024 -25.909 -9.329 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.439 -23.595 -7.829 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -3.708 -26.309 -7.136 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.465 -22.946 -5.435 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -3.762 -25.645 -4.744 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.860 -24.323 -3.146 1.00 0.00 H new ATOM 1660 N LYS A 107 0.504 -24.406 -10.667 1.00 0.00 N ATOM 1661 CA LYS A 107 1.722 -23.636 -10.910 1.00 0.00 C ATOM 1662 C LYS A 107 1.953 -22.516 -9.900 1.00 0.00 C ATOM 1663 O LYS A 107 1.046 -22.091 -9.183 1.00 0.00 O ATOM 1664 CB LYS A 107 1.639 -23.003 -12.315 1.00 0.00 C ATOM 1665 CG LYS A 107 2.324 -23.871 -13.364 1.00 0.00 C ATOM 1666 CD LYS A 107 2.330 -23.158 -14.724 1.00 0.00 C ATOM 1667 CE LYS A 107 3.012 -23.984 -15.824 1.00 0.00 C ATOM 1668 NZ LYS A 107 4.481 -24.113 -15.636 1.00 0.00 N ATOM 0 H LYS A 107 -0.250 -24.185 -11.317 1.00 0.00 H new ATOM 0 HA LYS A 107 2.554 -24.334 -10.817 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.594 -22.858 -12.588 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.103 -22.017 -12.298 1.00 0.00 H new ATOM 0 HG2 LYS A 107 3.346 -24.088 -13.055 1.00 0.00 H new ATOM 0 HG3 LYS A 107 1.807 -24.827 -13.449 1.00 0.00 H new ATOM 0 HD2 LYS A 107 1.304 -22.943 -15.021 1.00 0.00 H new ATOM 0 HD3 LYS A 107 2.841 -22.200 -14.625 1.00 0.00 H new ATOM 0 HE2 LYS A 107 2.567 -24.979 -15.850 1.00 0.00 H new ATOM 0 HE3 LYS A 107 2.816 -23.521 -16.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.882 -24.681 -16.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 4.916 -23.168 -15.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 4.675 -24.581 -14.728 1.00 0.00 H new ATOM 1682 N LEU A 108 3.165 -21.957 -9.967 1.00 0.00 N ATOM 1683 CA LEU A 108 3.592 -20.730 -9.295 1.00 0.00 C ATOM 1684 C LEU A 108 3.012 -19.497 -10.015 1.00 0.00 C ATOM 1685 O LEU A 108 3.745 -18.543 -10.289 1.00 0.00 O ATOM 1686 CB LEU A 108 5.143 -20.642 -9.247 1.00 0.00 C ATOM 1687 CG LEU A 108 5.924 -21.669 -8.411 1.00 0.00 C ATOM 1688 CD1 LEU A 108 5.314 -21.805 -7.019 1.00 0.00 C ATOM 1689 CD2 LEU A 108 6.070 -23.037 -9.088 1.00 0.00 C ATOM 0 H LEU A 108 3.913 -22.372 -10.522 1.00 0.00 H new ATOM 0 HA LEU A 108 3.216 -20.750 -8.272 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.508 -20.707 -10.272 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.405 -19.650 -8.878 1.00 0.00 H new ATOM 0 HG LEU A 108 6.937 -21.278 -8.320 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.881 -22.536 -6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 108 5.346 -20.841 -6.512 1.00 0.00 H new ATOM 0 HD13 LEU A 108 4.279 -22.135 -7.106 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.632 -23.707 -8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.082 -23.458 -9.275 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.600 -22.920 -10.033 1.00 0.00 H new ATOM 1701 N THR A 109 1.736 -19.508 -10.410 1.00 0.00 N ATOM 1702 CA THR A 109 1.134 -18.313 -10.975 1.00 0.00 C ATOM 1703 C THR A 109 0.972 -17.298 -9.842 1.00 0.00 C ATOM 1704 O THR A 109 0.821 -17.671 -8.670 1.00 0.00 O ATOM 1705 CB THR A 109 -0.193 -18.654 -11.668 1.00 0.00 C ATOM 1706 OG1 THR A 109 -0.981 -19.498 -10.854 1.00 0.00 O ATOM 1707 CG2 THR A 109 0.046 -19.376 -12.999 1.00 0.00 C ATOM 0 H THR A 109 1.117 -20.316 -10.348 1.00 0.00 H new ATOM 0 HA THR A 109 1.767 -17.878 -11.748 1.00 0.00 H new ATOM 0 HB THR A 109 -0.709 -17.710 -11.846 1.00 0.00 H new ATOM 0 HG1 THR A 109 -1.822 -19.702 -11.313 1.00 0.00 H new ATOM 0 HG21 THR A 109 -0.912 -19.604 -13.466 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.629 -18.735 -13.661 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.591 -20.302 -12.818 1.00 0.00 H new ATOM 1715 N SER A 110 0.983 -16.016 -10.203 1.00 0.00 N ATOM 1716 CA SER A 110 0.722 -14.895 -9.314 1.00 0.00 C ATOM 1717 C SER A 110 -0.511 -15.187 -8.454 1.00 0.00 C ATOM 1718 O SER A 110 -0.457 -15.133 -7.227 1.00 0.00 O ATOM 1719 CB SER A 110 0.535 -13.623 -10.171 1.00 0.00 C ATOM 1720 OG SER A 110 0.329 -13.883 -11.557 1.00 0.00 O ATOM 0 H SER A 110 1.182 -15.723 -11.160 1.00 0.00 H new ATOM 0 HA SER A 110 1.561 -14.740 -8.635 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.316 -13.060 -9.787 1.00 0.00 H new ATOM 0 HB3 SER A 110 1.414 -12.988 -10.058 1.00 0.00 H new ATOM 0 HG SER A 110 -0.447 -14.471 -11.668 1.00 0.00 H new ATOM 1726 N GLU A 111 -1.597 -15.564 -9.122 1.00 0.00 N ATOM 1727 CA GLU A 111 -2.905 -15.802 -8.545 1.00 0.00 C ATOM 1728 C GLU A 111 -2.922 -17.023 -7.622 1.00 0.00 C ATOM 1729 O GLU A 111 -3.582 -16.959 -6.586 1.00 0.00 O ATOM 1730 CB GLU A 111 -3.975 -15.909 -9.650 1.00 0.00 C ATOM 1731 CG GLU A 111 -3.590 -16.708 -10.910 1.00 0.00 C ATOM 1732 CD GLU A 111 -2.970 -15.829 -12.018 1.00 0.00 C ATOM 1733 OE1 GLU A 111 -1.807 -15.387 -11.868 1.00 0.00 O ATOM 1734 OE2 GLU A 111 -3.643 -15.584 -13.047 1.00 0.00 O ATOM 0 H GLU A 111 -1.582 -15.718 -10.130 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.146 -14.943 -7.919 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.866 -16.364 -9.218 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.249 -14.900 -9.957 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.881 -17.489 -10.635 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -4.477 -17.206 -11.303 1.00 0.00 H new ATOM 1741 N ASN A 112 -2.205 -18.115 -7.929 1.00 0.00 N ATOM 1742 CA ASN A 112 -2.212 -19.270 -7.027 1.00 0.00 C ATOM 1743 C ASN A 112 -1.491 -18.937 -5.726 1.00 0.00 C ATOM 1744 O ASN A 112 -1.945 -19.338 -4.653 1.00 0.00 O ATOM 1745 CB ASN A 112 -1.573 -20.505 -7.675 1.00 0.00 C ATOM 1746 CG ASN A 112 -2.601 -21.358 -8.413 1.00 0.00 C ATOM 1747 OD1 ASN A 112 -3.645 -21.714 -7.872 1.00 0.00 O ATOM 1748 ND2 ASN A 112 -2.341 -21.694 -9.664 1.00 0.00 N ATOM 0 H ASN A 112 -1.632 -18.220 -8.766 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.254 -19.505 -6.812 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -0.797 -20.188 -8.372 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.086 -21.107 -6.907 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.010 -22.255 -10.191 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.471 -21.393 -10.103 1.00 0.00 H new ATOM 1755 N CYS A 113 -0.388 -18.190 -5.804 1.00 0.00 N ATOM 1756 CA CYS A 113 0.341 -17.785 -4.612 1.00 0.00 C ATOM 1757 C CYS A 113 -0.512 -16.814 -3.797 1.00 0.00 C ATOM 1758 O CYS A 113 -0.632 -16.977 -2.584 1.00 0.00 O ATOM 1759 CB CYS A 113 1.684 -17.158 -4.997 1.00 0.00 C ATOM 1760 SG CYS A 113 2.601 -18.316 -6.063 1.00 0.00 S ATOM 0 H CYS A 113 0.015 -17.857 -6.680 1.00 0.00 H new ATOM 0 HA CYS A 113 0.549 -18.661 -3.998 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.522 -16.215 -5.519 1.00 0.00 H new ATOM 0 HB3 CYS A 113 2.264 -16.932 -4.102 1.00 0.00 H new ATOM 0 HG CYS A 113 2.098 -18.294 -7.261 1.00 0.00 H new ATOM 1766 N GLU A 114 -1.137 -15.841 -4.468 1.00 0.00 N ATOM 1767 CA GLU A 114 -1.992 -14.828 -3.860 1.00 0.00 C ATOM 1768 C GLU A 114 -3.159 -15.484 -3.118 1.00 0.00 C ATOM 1769 O GLU A 114 -3.457 -15.127 -1.974 1.00 0.00 O ATOM 1770 CB GLU A 114 -2.480 -13.891 -4.977 1.00 0.00 C ATOM 1771 CG GLU A 114 -3.098 -12.584 -4.468 1.00 0.00 C ATOM 1772 CD GLU A 114 -3.272 -11.543 -5.592 1.00 0.00 C ATOM 1773 OE1 GLU A 114 -2.400 -11.418 -6.488 1.00 0.00 O ATOM 1774 OE2 GLU A 114 -4.283 -10.805 -5.565 1.00 0.00 O ATOM 0 H GLU A 114 -1.056 -15.737 -5.480 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.438 -14.251 -3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.641 -13.654 -5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.217 -14.418 -5.583 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.068 -12.795 -4.017 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -2.466 -12.167 -3.684 1.00 0.00 H new ATOM 1781 N HIS A 115 -3.783 -16.484 -3.750 1.00 0.00 N ATOM 1782 CA HIS A 115 -4.853 -17.275 -3.166 1.00 0.00 C ATOM 1783 C HIS A 115 -4.351 -17.949 -1.893 1.00 0.00 C ATOM 1784 O HIS A 115 -4.956 -17.785 -0.832 1.00 0.00 O ATOM 1785 CB HIS A 115 -5.357 -18.304 -4.193 1.00 0.00 C ATOM 1786 CG HIS A 115 -6.308 -19.317 -3.598 1.00 0.00 C ATOM 1787 ND1 HIS A 115 -7.699 -19.201 -3.553 1.00 0.00 N ATOM 1788 CD2 HIS A 115 -5.932 -20.440 -2.919 1.00 0.00 C ATOM 1789 CE1 HIS A 115 -8.124 -20.241 -2.812 1.00 0.00 C ATOM 1790 NE2 HIS A 115 -7.084 -20.992 -2.411 1.00 0.00 N ATOM 0 H HIS A 115 -3.548 -16.766 -4.702 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.691 -16.632 -2.899 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -5.856 -17.780 -5.008 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -4.503 -18.826 -4.625 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -4.928 -20.820 -2.804 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -9.157 -20.444 -2.573 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -7.140 -21.828 -1.829 1.00 0.00 H new ATOM 1798 N PHE A 116 -3.237 -18.683 -1.975 1.00 0.00 N ATOM 1799 CA PHE A 116 -2.762 -19.477 -0.855 1.00 0.00 C ATOM 1800 C PHE A 116 -2.431 -18.609 0.352 1.00 0.00 C ATOM 1801 O PHE A 116 -2.844 -18.934 1.465 1.00 0.00 O ATOM 1802 CB PHE A 116 -1.544 -20.303 -1.276 1.00 0.00 C ATOM 1803 CG PHE A 116 -0.781 -20.891 -0.101 1.00 0.00 C ATOM 1804 CD1 PHE A 116 -1.144 -22.140 0.437 1.00 0.00 C ATOM 1805 CD2 PHE A 116 0.278 -20.162 0.478 1.00 0.00 C ATOM 1806 CE1 PHE A 116 -0.449 -22.655 1.546 1.00 0.00 C ATOM 1807 CE2 PHE A 116 0.958 -20.665 1.597 1.00 0.00 C ATOM 1808 CZ PHE A 116 0.598 -21.918 2.127 1.00 0.00 C ATOM 0 H PHE A 116 -2.652 -18.739 -2.809 1.00 0.00 H new ATOM 0 HA PHE A 116 -3.565 -20.152 -0.558 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -1.871 -21.112 -1.930 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -0.871 -19.674 -1.859 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -1.955 -22.702 -0.001 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.567 -19.210 0.057 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -0.720 -23.618 1.952 1.00 0.00 H new ATOM 0 HE2 PHE A 116 1.754 -20.093 2.050 1.00 0.00 H new ATOM 0 HZ PHE A 116 1.127 -22.314 2.981 1.00 0.00 H new ATOM 1818 N VAL A 117 -1.700 -17.510 0.160 1.00 0.00 N ATOM 1819 CA VAL A 117 -1.316 -16.688 1.304 1.00 0.00 C ATOM 1820 C VAL A 117 -2.559 -16.088 1.969 1.00 0.00 C ATOM 1821 O VAL A 117 -2.596 -15.998 3.194 1.00 0.00 O ATOM 1822 CB VAL A 117 -0.242 -15.643 0.956 1.00 0.00 C ATOM 1823 CG1 VAL A 117 1.046 -16.323 0.472 1.00 0.00 C ATOM 1824 CG2 VAL A 117 -0.694 -14.593 -0.068 1.00 0.00 C ATOM 0 H VAL A 117 -1.372 -17.177 -0.747 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.836 -17.336 2.038 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.054 -15.105 1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.790 -15.564 0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 117 1.431 -16.973 1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.832 -16.916 -0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.121 -13.895 -0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.971 -15.088 -0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.554 -14.049 0.324 1.00 0.00 H new ATOM 1834 N ASN A 118 -3.611 -15.755 1.208 1.00 0.00 N ATOM 1835 CA ASN A 118 -4.869 -15.291 1.794 1.00 0.00 C ATOM 1836 C ASN A 118 -5.575 -16.423 2.541 1.00 0.00 C ATOM 1837 O ASN A 118 -6.182 -16.180 3.582 1.00 0.00 O ATOM 1838 CB ASN A 118 -5.789 -14.666 0.737 1.00 0.00 C ATOM 1839 CG ASN A 118 -5.402 -13.218 0.464 1.00 0.00 C ATOM 1840 OD1 ASN A 118 -5.941 -12.299 1.069 1.00 0.00 O ATOM 1841 ND2 ASN A 118 -4.438 -12.976 -0.408 1.00 0.00 N ATOM 0 H ASN A 118 -3.613 -15.799 0.189 1.00 0.00 H new ATOM 0 HA ASN A 118 -4.627 -14.510 2.515 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -5.731 -15.242 -0.187 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -6.824 -14.712 1.077 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.137 -12.017 -0.582 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.996 -13.748 -0.907 1.00 0.00 H new ATOM 1848 N GLU A 119 -5.453 -17.663 2.071 1.00 0.00 N ATOM 1849 CA GLU A 119 -5.918 -18.854 2.771 1.00 0.00 C ATOM 1850 C GLU A 119 -5.258 -18.996 4.149 1.00 0.00 C ATOM 1851 O GLU A 119 -5.905 -19.449 5.093 1.00 0.00 O ATOM 1852 CB GLU A 119 -5.662 -20.099 1.892 1.00 0.00 C ATOM 1853 CG GLU A 119 -6.882 -21.015 1.821 1.00 0.00 C ATOM 1854 CD GLU A 119 -6.584 -22.340 1.096 1.00 0.00 C ATOM 1855 OE1 GLU A 119 -5.944 -23.236 1.695 1.00 0.00 O ATOM 1856 OE2 GLU A 119 -7.019 -22.513 -0.066 1.00 0.00 O ATOM 0 H GLU A 119 -5.018 -17.870 1.172 1.00 0.00 H new ATOM 0 HA GLU A 119 -6.989 -18.759 2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -5.389 -19.781 0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -4.814 -20.656 2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.231 -21.228 2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.691 -20.497 1.306 1.00 0.00 H new ATOM 1863 N LEU A 120 -3.998 -18.581 4.307 1.00 0.00 N ATOM 1864 CA LEU A 120 -3.335 -18.571 5.605 1.00 0.00 C ATOM 1865 C LEU A 120 -3.779 -17.363 6.423 1.00 0.00 C ATOM 1866 O LEU A 120 -4.196 -17.510 7.569 1.00 0.00 O ATOM 1867 CB LEU A 120 -1.807 -18.516 5.463 1.00 0.00 C ATOM 1868 CG LEU A 120 -1.144 -19.613 4.621 1.00 0.00 C ATOM 1869 CD1 LEU A 120 0.368 -19.375 4.656 1.00 0.00 C ATOM 1870 CD2 LEU A 120 -1.461 -21.012 5.140 1.00 0.00 C ATOM 0 H LEU A 120 -3.415 -18.245 3.540 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.616 -19.496 6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.542 -17.551 5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.373 -18.548 6.462 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.532 -19.561 3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.871 -20.141 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.591 -18.392 4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.720 -19.423 5.686 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.969 -21.754 4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.102 -21.110 6.165 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -2.539 -21.173 5.116 1.00 0.00 H new ATOM 1882 N ARG A 121 -3.669 -16.162 5.841 1.00 0.00 N ATOM 1883 CA ARG A 121 -3.845 -14.901 6.555 1.00 0.00 C ATOM 1884 C ARG A 121 -5.287 -14.718 7.013 1.00 0.00 C ATOM 1885 O ARG A 121 -5.518 -14.109 8.055 1.00 0.00 O ATOM 1886 CB ARG A 121 -3.359 -13.740 5.660 1.00 0.00 C ATOM 1887 CG ARG A 121 -2.529 -12.694 6.416 1.00 0.00 C ATOM 1888 CD ARG A 121 -3.367 -11.743 7.264 1.00 0.00 C ATOM 1889 NE ARG A 121 -2.534 -10.779 8.005 1.00 0.00 N ATOM 1890 CZ ARG A 121 -3.015 -9.707 8.644 1.00 0.00 C ATOM 1891 NH1 ARG A 121 -4.331 -9.571 8.748 1.00 0.00 N ATOM 1892 NH2 ARG A 121 -2.212 -8.789 9.172 1.00 0.00 N ATOM 0 H ARG A 121 -3.453 -16.042 4.851 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.241 -14.910 7.463 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.762 -14.146 4.844 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.223 -13.251 5.210 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -1.814 -13.206 7.060 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.951 -12.113 5.697 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.062 -11.202 6.622 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.967 -12.319 7.968 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.527 -10.940 8.032 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.950 -10.275 8.346 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.724 -8.763 9.230 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.200 -8.892 9.095 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.608 -7.982 9.654 1.00 0.00 H new ATOM 1906 N TYR A 122 -6.248 -15.260 6.264 1.00 0.00 N ATOM 1907 CA TYR A 122 -7.669 -15.014 6.482 1.00 0.00 C ATOM 1908 C TYR A 122 -8.509 -16.294 6.419 1.00 0.00 C ATOM 1909 O TYR A 122 -9.737 -16.218 6.443 1.00 0.00 O ATOM 1910 CB TYR A 122 -8.143 -13.946 5.486 1.00 0.00 C ATOM 1911 CG TYR A 122 -7.410 -12.617 5.587 1.00 0.00 C ATOM 1912 CD1 TYR A 122 -7.439 -11.883 6.791 1.00 0.00 C ATOM 1913 CD2 TYR A 122 -6.751 -12.081 4.464 1.00 0.00 C ATOM 1914 CE1 TYR A 122 -6.854 -10.608 6.864 1.00 0.00 C ATOM 1915 CE2 TYR A 122 -6.128 -10.823 4.540 1.00 0.00 C ATOM 1916 CZ TYR A 122 -6.184 -10.077 5.738 1.00 0.00 C ATOM 1917 OH TYR A 122 -5.553 -8.875 5.815 1.00 0.00 O ATOM 0 H TYR A 122 -6.057 -15.887 5.483 1.00 0.00 H new ATOM 0 HA TYR A 122 -7.811 -14.641 7.496 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -8.027 -14.334 4.474 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -9.208 -13.771 5.640 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -7.915 -12.305 7.664 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -6.724 -12.639 3.540 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -6.916 -10.035 7.777 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -5.606 -10.427 3.682 1.00 0.00 H new ATOM 0 HH TYR A 122 -5.850 -8.400 6.619 1.00 0.00 H new ATOM 1927 N GLY A 123 -7.889 -17.477 6.369 1.00 0.00 N ATOM 1928 CA GLY A 123 -8.580 -18.755 6.507 1.00 0.00 C ATOM 1929 C GLY A 123 -9.000 -19.295 5.146 1.00 0.00 C ATOM 1930 O GLY A 123 -8.768 -20.470 4.858 1.00 0.00 O ATOM 0 H GLY A 123 -6.883 -17.571 6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.928 -19.474 7.003 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.458 -18.632 7.141 1.00 0.00 H new ATOM 1934 N VAL A 124 -9.535 -18.438 4.277 1.00 0.00 N ATOM 1935 CA VAL A 124 -9.822 -18.754 2.886 1.00 0.00 C ATOM 1936 C VAL A 124 -9.735 -17.445 2.088 1.00 0.00 C ATOM 1937 O VAL A 124 -10.146 -16.392 2.589 1.00 0.00 O ATOM 1938 CB VAL A 124 -11.178 -19.494 2.789 1.00 0.00 C ATOM 1939 CG1 VAL A 124 -12.393 -18.637 3.178 1.00 0.00 C ATOM 1940 CG2 VAL A 124 -11.384 -20.112 1.401 1.00 0.00 C ATOM 0 H VAL A 124 -9.785 -17.482 4.531 1.00 0.00 H new ATOM 0 HA VAL A 124 -9.098 -19.443 2.451 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.117 -20.290 3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -13.302 -19.230 3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -12.286 -18.301 4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.454 -17.771 2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.346 -20.623 1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -11.366 -19.326 0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -10.586 -20.827 1.199 1.00 0.00 H new ATOM 1950 N ALA A 125 -9.162 -17.492 0.879 1.00 0.00 N ATOM 1951 CA ALA A 125 -9.200 -16.356 -0.035 1.00 0.00 C ATOM 1952 C ALA A 125 -10.647 -16.003 -0.389 1.00 0.00 C ATOM 1953 O ALA A 125 -10.948 -14.796 -0.491 1.00 0.00 O ATOM 1954 CB ALA A 125 -8.401 -16.654 -1.302 1.00 0.00 C ATOM 1955 OXT ALA A 125 -11.462 -16.921 -0.619 1.00 0.00 O ATOM 0 H ALA A 125 -8.668 -18.307 0.516 1.00 0.00 H new ATOM 0 HA ALA A 125 -8.745 -15.501 0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -8.443 -15.793 -1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -7.363 -16.858 -1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -8.826 -17.523 -1.804 1.00 0.00 H new