USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 811 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 104 MET CE :methyl 179:sc= -0.0572 (180deg=-0.00811) USER MOD Set 1.2: A 112 ASN : amide:sc= 0.317 K(o=0.26,f=-1.1) USER MOD Set 2.1: A 85 GLN : amide:sc= 2.62 K(o=4.4,f=-4!) USER MOD Set 2.2: A 125 SER OG : rot 72:sc= 1.82 USER MOD Single : A 9 LYS NZ :NH3+ 167:sc= 1.24 (180deg=1.11) USER MOD Single : A 21 TYR OH : rot 30:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= 0.81 K(o=0.81,f=-2.6!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0.00313 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -0.0203 K(o=-0.02,f=-0.61) USER MOD Single : A 57 SER OG : rot 23:sc= 0.0993 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.841 K(o=0.84,f=-4.9!) USER MOD Single : A 78 ASN : amide:sc= 0.656 K(o=0.66,f=-0.26) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= -0.129 USER MOD Single : A 94 SER OG : rot 61:sc= 1.28 USER MOD Single : A 95 SER OG : rot 80:sc= 0.874 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -116:sc= -0.136 (180deg=-0.199) USER MOD Single : A 102 GLN : amide:sc=-0.00689 X(o=-0.0069,f=-0.0069) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0.0348 USER MOD Single : A 110 SER OG : rot 180:sc= 0.0297 USER MOD Single : A 113 CYS SG : rot 150:sc= 0.883 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 THR OG1 : rot 83:sc= 1.31 USER MOD Single : A 119 GLN : amide:sc= 1.56 K(o=1.6,f=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N GLU A 7 4.213 -3.784 5.142 1.00 0.00 N ATOM 90 CA GLU A 7 4.945 -2.839 5.988 1.00 0.00 C ATOM 91 C GLU A 7 4.006 -2.342 7.103 1.00 0.00 C ATOM 92 O GLU A 7 3.044 -1.640 6.785 1.00 0.00 O ATOM 93 CB GLU A 7 5.451 -1.668 5.126 1.00 0.00 C ATOM 94 CG GLU A 7 6.330 -0.703 5.933 1.00 0.00 C ATOM 95 CD GLU A 7 6.667 0.544 5.107 1.00 0.00 C ATOM 96 OE1 GLU A 7 5.862 1.505 5.124 1.00 0.00 O ATOM 97 OE2 GLU A 7 7.733 0.567 4.446 1.00 0.00 O ATOM 0 HA GLU A 7 5.808 -3.323 6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.020 -2.058 4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.600 -1.126 4.714 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.813 -0.411 6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.249 -1.206 6.233 1.00 0.00 H new ATOM 104 N PRO A 8 4.246 -2.693 8.382 1.00 0.00 N ATOM 105 CA PRO A 8 3.477 -2.181 9.512 1.00 0.00 C ATOM 106 C PRO A 8 3.998 -0.802 9.956 1.00 0.00 C ATOM 107 O PRO A 8 5.200 -0.533 9.921 1.00 0.00 O ATOM 108 CB PRO A 8 3.631 -3.238 10.604 1.00 0.00 C ATOM 109 CG PRO A 8 5.035 -3.792 10.361 1.00 0.00 C ATOM 110 CD PRO A 8 5.194 -3.703 8.842 1.00 0.00 C ATOM 0 HA PRO A 8 2.428 -2.021 9.263 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.536 -2.805 11.600 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.872 -4.016 10.521 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.794 -3.205 10.879 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.129 -4.819 10.715 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.214 -3.427 8.575 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.991 -4.666 8.374 1.00 0.00 H new ATOM 118 N LYS A 9 3.076 0.063 10.395 1.00 0.00 N ATOM 119 CA LYS A 9 3.307 1.461 10.806 1.00 0.00 C ATOM 120 C LYS A 9 2.058 2.047 11.515 1.00 0.00 C ATOM 121 O LYS A 9 0.939 1.616 11.219 1.00 0.00 O ATOM 122 CB LYS A 9 3.841 2.343 9.642 1.00 0.00 C ATOM 123 CG LYS A 9 2.915 2.564 8.434 1.00 0.00 C ATOM 124 CD LYS A 9 2.799 1.303 7.577 1.00 0.00 C ATOM 125 CE LYS A 9 2.237 1.503 6.162 1.00 0.00 C ATOM 126 NZ LYS A 9 3.167 2.236 5.264 1.00 0.00 N ATOM 0 H LYS A 9 2.095 -0.204 10.479 1.00 0.00 H new ATOM 0 HA LYS A 9 4.108 1.464 11.545 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.098 3.320 10.051 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.766 1.896 9.279 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.926 2.860 8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.298 3.384 7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.788 0.851 7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.165 0.588 8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.012 0.530 5.726 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.296 2.049 6.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.840 2.150 4.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.192 3.240 5.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.121 1.831 5.348 1.00 0.00 H new ATOM 140 N PRO A 10 2.220 2.996 12.458 1.00 0.00 N ATOM 141 CA PRO A 10 1.152 3.457 13.343 1.00 0.00 C ATOM 142 C PRO A 10 0.050 4.238 12.618 1.00 0.00 C ATOM 143 O PRO A 10 0.321 5.073 11.760 1.00 0.00 O ATOM 144 CB PRO A 10 1.854 4.253 14.452 1.00 0.00 C ATOM 145 CG PRO A 10 3.124 4.763 13.775 1.00 0.00 C ATOM 146 CD PRO A 10 3.481 3.615 12.832 1.00 0.00 C ATOM 0 HA PRO A 10 0.599 2.617 13.763 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.233 5.074 14.811 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.083 3.625 15.313 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.950 5.693 13.234 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.918 4.958 14.496 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.011 3.983 11.953 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.138 2.897 13.323 1.00 0.00 H new ATOM 154 N GLY A 11 -1.199 3.930 12.998 1.00 0.00 N ATOM 155 CA GLY A 11 -2.436 4.487 12.434 1.00 0.00 C ATOM 156 C GLY A 11 -2.967 3.746 11.208 1.00 0.00 C ATOM 157 O GLY A 11 -4.095 4.013 10.792 1.00 0.00 O ATOM 0 H GLY A 11 -1.382 3.255 13.741 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.206 4.483 13.206 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.260 5.528 12.165 1.00 0.00 H new ATOM 161 N ASP A 12 -2.181 2.842 10.624 1.00 0.00 N ATOM 162 CA ASP A 12 -2.519 2.126 9.394 1.00 0.00 C ATOM 163 C ASP A 12 -3.237 0.783 9.655 1.00 0.00 C ATOM 164 O ASP A 12 -3.192 0.213 10.756 1.00 0.00 O ATOM 165 CB ASP A 12 -1.265 1.953 8.525 1.00 0.00 C ATOM 166 CG ASP A 12 -0.821 3.248 7.817 1.00 0.00 C ATOM 167 OD1 ASP A 12 -0.413 4.220 8.496 1.00 0.00 O ATOM 168 OD2 ASP A 12 -0.851 3.278 6.564 1.00 0.00 O ATOM 0 H ASP A 12 -1.270 2.581 11.002 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.239 2.734 8.846 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.448 1.592 9.149 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.456 1.186 7.775 1.00 0.00 H new ATOM 173 N LEU A 13 -3.922 0.310 8.603 1.00 0.00 N ATOM 174 CA LEU A 13 -4.856 -0.816 8.623 1.00 0.00 C ATOM 175 C LEU A 13 -4.221 -2.087 8.074 1.00 0.00 C ATOM 176 O LEU A 13 -3.919 -2.198 6.888 1.00 0.00 O ATOM 177 CB LEU A 13 -6.104 -0.470 7.793 1.00 0.00 C ATOM 178 CG LEU A 13 -6.855 0.771 8.277 1.00 0.00 C ATOM 179 CD1 LEU A 13 -7.998 1.100 7.312 1.00 0.00 C ATOM 180 CD2 LEU A 13 -7.425 0.541 9.684 1.00 0.00 C ATOM 0 H LEU A 13 -3.833 0.724 7.675 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.133 -0.998 9.661 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.806 -0.319 6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.784 -1.322 7.808 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.155 1.606 8.311 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.528 1.985 7.664 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.592 1.291 6.319 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.689 0.258 7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.956 1.435 10.012 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.114 -0.304 9.664 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.610 0.328 10.376 1.00 0.00 H new ATOM 192 N ILE A 14 -4.058 -3.064 8.952 1.00 0.00 N ATOM 193 CA ILE A 14 -3.419 -4.349 8.663 1.00 0.00 C ATOM 194 C ILE A 14 -4.495 -5.402 8.377 1.00 0.00 C ATOM 195 O ILE A 14 -5.395 -5.585 9.192 1.00 0.00 O ATOM 196 CB ILE A 14 -2.529 -4.813 9.848 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.829 -3.662 10.619 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.506 -5.834 9.312 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.036 -4.145 11.832 1.00 0.00 C ATOM 0 H ILE A 14 -4.375 -2.987 9.918 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.780 -4.227 7.789 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.184 -5.270 10.590 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.158 -3.135 9.941 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.580 -2.943 10.947 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.869 -6.174 10.129 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.033 -6.687 8.884 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.891 -5.364 8.544 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.572 -3.292 12.326 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.707 -4.647 12.529 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.263 -4.841 11.507 1.00 0.00 H new ATOM 211 N GLU A 15 -4.387 -6.100 7.251 1.00 0.00 N ATOM 212 CA GLU A 15 -5.175 -7.282 6.914 1.00 0.00 C ATOM 213 C GLU A 15 -4.344 -8.511 7.296 1.00 0.00 C ATOM 214 O GLU A 15 -3.228 -8.676 6.802 1.00 0.00 O ATOM 215 CB GLU A 15 -5.461 -7.330 5.407 1.00 0.00 C ATOM 216 CG GLU A 15 -6.338 -6.191 4.887 1.00 0.00 C ATOM 217 CD GLU A 15 -6.605 -6.393 3.391 1.00 0.00 C ATOM 218 OE1 GLU A 15 -5.702 -6.130 2.565 1.00 0.00 O ATOM 219 OE2 GLU A 15 -7.670 -6.932 3.018 1.00 0.00 O ATOM 0 H GLU A 15 -3.722 -5.848 6.519 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.126 -7.257 7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.512 -7.314 4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.944 -8.279 5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.280 -6.164 5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.845 -5.233 5.053 1.00 0.00 H new ATOM 226 N ILE A 16 -4.863 -9.364 8.178 1.00 0.00 N ATOM 227 CA ILE A 16 -4.150 -10.514 8.761 1.00 0.00 C ATOM 228 C ILE A 16 -4.987 -11.782 8.555 1.00 0.00 C ATOM 229 O ILE A 16 -6.167 -11.806 8.906 1.00 0.00 O ATOM 230 CB ILE A 16 -3.891 -10.258 10.272 1.00 0.00 C ATOM 231 CG1 ILE A 16 -3.085 -8.953 10.508 1.00 0.00 C ATOM 232 CG2 ILE A 16 -3.165 -11.468 10.892 1.00 0.00 C ATOM 233 CD1 ILE A 16 -2.998 -8.509 11.971 1.00 0.00 C ATOM 0 H ILE A 16 -5.820 -9.277 8.521 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.187 -10.646 8.268 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.856 -10.130 10.762 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.074 -9.092 10.124 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.539 -8.151 9.926 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.987 -11.282 11.951 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.782 -12.359 10.779 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.212 -11.620 10.385 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.417 -7.589 12.038 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.002 -8.333 12.358 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.514 -9.288 12.560 1.00 0.00 H new ATOM 245 N PHE A 17 -4.389 -12.863 8.046 1.00 0.00 N ATOM 246 CA PHE A 17 -5.035 -14.173 7.880 1.00 0.00 C ATOM 247 C PHE A 17 -5.119 -14.909 9.236 1.00 0.00 C ATOM 248 O PHE A 17 -4.483 -15.938 9.458 1.00 0.00 O ATOM 249 CB PHE A 17 -4.283 -14.941 6.780 1.00 0.00 C ATOM 250 CG PHE A 17 -4.946 -16.229 6.327 1.00 0.00 C ATOM 251 CD1 PHE A 17 -6.103 -16.177 5.527 1.00 0.00 C ATOM 252 CD2 PHE A 17 -4.392 -17.482 6.665 1.00 0.00 C ATOM 253 CE1 PHE A 17 -6.689 -17.362 5.048 1.00 0.00 C ATOM 254 CE2 PHE A 17 -4.980 -18.668 6.188 1.00 0.00 C ATOM 255 CZ PHE A 17 -6.122 -18.606 5.369 1.00 0.00 C ATOM 0 H PHE A 17 -3.419 -12.854 7.730 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.070 -14.073 7.554 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.167 -14.287 5.916 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.281 -15.173 7.141 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.543 -15.222 5.280 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.514 -17.531 7.292 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.576 -17.315 4.433 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.555 -19.625 6.451 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.563 -19.515 4.987 1.00 0.00 H new ATOM 265 N ARG A 18 -5.891 -14.340 10.170 1.00 0.00 N ATOM 266 CA ARG A 18 -5.950 -14.731 11.588 1.00 0.00 C ATOM 267 C ARG A 18 -6.247 -16.220 11.835 1.00 0.00 C ATOM 268 O ARG A 18 -5.609 -16.827 12.697 1.00 0.00 O ATOM 269 CB ARG A 18 -6.965 -13.801 12.293 1.00 0.00 C ATOM 270 CG ARG A 18 -7.201 -14.083 13.788 1.00 0.00 C ATOM 271 CD ARG A 18 -5.907 -14.095 14.608 1.00 0.00 C ATOM 272 NE ARG A 18 -6.167 -14.324 16.040 1.00 0.00 N ATOM 273 CZ ARG A 18 -5.242 -14.586 16.958 1.00 0.00 C ATOM 274 NH1 ARG A 18 -3.966 -14.654 16.646 1.00 0.00 N ATOM 275 NH2 ARG A 18 -5.590 -14.780 18.210 1.00 0.00 N ATOM 0 H ARG A 18 -6.517 -13.564 9.953 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.955 -14.607 12.015 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.622 -12.772 12.186 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.920 -13.875 11.773 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.874 -13.327 14.193 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.701 -15.045 13.896 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.245 -14.874 14.230 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.387 -13.145 14.481 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.137 -14.278 16.353 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.668 -14.504 15.682 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.275 -14.856 17.368 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.572 -14.730 18.480 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.878 -14.981 18.912 1.00 0.00 H new ATOM 289 N LEU A 19 -7.223 -16.794 11.122 1.00 0.00 N ATOM 290 CA LEU A 19 -7.871 -18.048 11.543 1.00 0.00 C ATOM 291 C LEU A 19 -8.458 -18.889 10.386 1.00 0.00 C ATOM 292 O LEU A 19 -9.428 -19.624 10.569 1.00 0.00 O ATOM 293 CB LEU A 19 -8.865 -17.726 12.690 1.00 0.00 C ATOM 294 CG LEU A 19 -9.899 -16.600 12.447 1.00 0.00 C ATOM 295 CD1 LEU A 19 -10.914 -16.924 11.344 1.00 0.00 C ATOM 296 CD2 LEU A 19 -10.645 -16.319 13.758 1.00 0.00 C ATOM 0 H LEU A 19 -7.584 -16.411 10.248 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.109 -18.724 11.930 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.412 -18.639 12.927 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.284 -17.464 13.574 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.343 -15.725 12.109 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.606 -16.090 11.230 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.389 -17.091 10.404 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.470 -17.822 11.613 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.376 -15.527 13.598 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.156 -17.224 14.087 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.933 -16.007 14.522 1.00 0.00 H new ATOM 308 N GLY A 20 -7.895 -18.756 9.178 1.00 0.00 N ATOM 309 CA GLY A 20 -8.463 -19.318 7.936 1.00 0.00 C ATOM 310 C GLY A 20 -9.326 -18.313 7.161 1.00 0.00 C ATOM 311 O GLY A 20 -9.805 -18.619 6.070 1.00 0.00 O ATOM 0 H GLY A 20 -7.022 -18.250 9.029 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.651 -19.661 7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.066 -20.192 8.182 1.00 0.00 H new ATOM 315 N TYR A 21 -9.495 -17.109 7.714 1.00 0.00 N ATOM 316 CA TYR A 21 -10.124 -15.935 7.103 1.00 0.00 C ATOM 317 C TYR A 21 -9.356 -14.650 7.487 1.00 0.00 C ATOM 318 O TYR A 21 -8.586 -14.645 8.452 1.00 0.00 O ATOM 319 CB TYR A 21 -11.608 -15.877 7.513 1.00 0.00 C ATOM 320 CG TYR A 21 -12.373 -14.729 6.875 1.00 0.00 C ATOM 321 CD1 TYR A 21 -12.496 -14.674 5.472 1.00 0.00 C ATOM 322 CD2 TYR A 21 -12.865 -13.669 7.662 1.00 0.00 C ATOM 323 CE1 TYR A 21 -13.074 -13.549 4.853 1.00 0.00 C ATOM 324 CE2 TYR A 21 -13.458 -12.547 7.050 1.00 0.00 C ATOM 325 CZ TYR A 21 -13.543 -12.475 5.643 1.00 0.00 C ATOM 326 OH TYR A 21 -14.063 -11.366 5.048 1.00 0.00 O ATOM 0 H TYR A 21 -9.175 -16.916 8.663 1.00 0.00 H new ATOM 0 HA TYR A 21 -10.081 -16.014 6.017 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -12.088 -16.817 7.242 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -11.673 -15.787 8.597 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -12.145 -15.498 4.869 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -12.787 -13.717 8.738 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -13.159 -13.507 3.777 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -13.847 -11.743 7.657 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.477 -11.616 4.196 1.00 0.00 H new ATOM 336 N GLU A 22 -9.533 -13.580 6.709 1.00 0.00 N ATOM 337 CA GLU A 22 -8.779 -12.328 6.828 1.00 0.00 C ATOM 338 C GLU A 22 -9.494 -11.325 7.754 1.00 0.00 C ATOM 339 O GLU A 22 -10.622 -10.910 7.491 1.00 0.00 O ATOM 340 CB GLU A 22 -8.536 -11.729 5.433 1.00 0.00 C ATOM 341 CG GLU A 22 -7.716 -12.683 4.547 1.00 0.00 C ATOM 342 CD GLU A 22 -7.388 -12.113 3.158 1.00 0.00 C ATOM 343 OE1 GLU A 22 -8.068 -11.182 2.667 1.00 0.00 O ATOM 344 OE2 GLU A 22 -6.410 -12.586 2.536 1.00 0.00 O ATOM 0 H GLU A 22 -10.223 -13.559 5.958 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.814 -12.548 7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.492 -11.518 4.955 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.011 -10.779 5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.785 -12.928 5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.268 -13.615 4.426 1.00 0.00 H new ATOM 351 N HIS A 23 -8.824 -10.918 8.833 1.00 0.00 N ATOM 352 CA HIS A 23 -9.307 -9.947 9.820 1.00 0.00 C ATOM 353 C HIS A 23 -8.478 -8.650 9.773 1.00 0.00 C ATOM 354 O HIS A 23 -7.289 -8.672 9.453 1.00 0.00 O ATOM 355 CB HIS A 23 -9.225 -10.564 11.229 1.00 0.00 C ATOM 356 CG HIS A 23 -10.342 -11.529 11.549 1.00 0.00 C ATOM 357 ND1 HIS A 23 -11.236 -11.404 12.591 1.00 0.00 N ATOM 358 CD2 HIS A 23 -10.670 -12.677 10.877 1.00 0.00 C ATOM 359 CE1 HIS A 23 -12.091 -12.437 12.527 1.00 0.00 C ATOM 360 NE2 HIS A 23 -11.788 -13.248 11.498 1.00 0.00 N ATOM 0 H HIS A 23 -7.892 -11.269 9.054 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.342 -9.699 9.583 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -8.272 -11.083 11.331 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -9.232 -9.761 11.966 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -11.246 -10.659 13.287 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -10.154 -13.074 10.015 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -12.912 -12.595 13.210 1.00 0.00 H new ATOM 368 N TRP A 24 -9.093 -7.524 10.142 1.00 0.00 N ATOM 369 CA TRP A 24 -8.421 -6.231 10.262 1.00 0.00 C ATOM 370 C TRP A 24 -7.777 -5.997 11.638 1.00 0.00 C ATOM 371 O TRP A 24 -8.273 -6.465 12.668 1.00 0.00 O ATOM 372 CB TRP A 24 -9.417 -5.095 10.023 1.00 0.00 C ATOM 373 CG TRP A 24 -9.911 -4.891 8.629 1.00 0.00 C ATOM 374 CD1 TRP A 24 -11.173 -5.120 8.215 1.00 0.00 C ATOM 375 CD2 TRP A 24 -9.211 -4.321 7.478 1.00 0.00 C ATOM 376 NE1 TRP A 24 -11.307 -4.756 6.895 1.00 0.00 N ATOM 377 CE2 TRP A 24 -10.132 -4.239 6.389 1.00 0.00 C ATOM 378 CE3 TRP A 24 -7.908 -3.831 7.251 1.00 0.00 C ATOM 379 CZ2 TRP A 24 -9.776 -3.706 5.140 1.00 0.00 C ATOM 380 CZ3 TRP A 24 -7.542 -3.286 6.005 1.00 0.00 C ATOM 381 CH2 TRP A 24 -8.470 -3.223 4.950 1.00 0.00 C ATOM 0 H TRP A 24 -10.087 -7.486 10.369 1.00 0.00 H new ATOM 0 HA TRP A 24 -7.631 -6.243 9.512 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.282 -5.266 10.664 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -8.953 -4.166 10.354 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.962 -5.529 8.829 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.168 -4.856 6.357 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -7.179 -3.874 8.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -10.496 -3.668 4.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.539 -2.913 5.858 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -8.180 -2.805 3.997 1.00 0.00 H new ATOM 392 N ALA A 25 -6.739 -5.159 11.649 1.00 0.00 N ATOM 393 CA ALA A 25 -6.114 -4.604 12.846 1.00 0.00 C ATOM 394 C ALA A 25 -5.609 -3.167 12.602 1.00 0.00 C ATOM 395 O ALA A 25 -5.233 -2.822 11.482 1.00 0.00 O ATOM 396 CB ALA A 25 -4.995 -5.547 13.308 1.00 0.00 C ATOM 0 H ALA A 25 -6.295 -4.837 10.789 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.854 -4.530 13.643 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.522 -5.140 14.202 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.415 -6.527 13.534 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.252 -5.644 12.517 1.00 0.00 H new ATOM 402 N LEU A 26 -5.584 -2.339 13.649 1.00 0.00 N ATOM 403 CA LEU A 26 -5.041 -0.973 13.662 1.00 0.00 C ATOM 404 C LEU A 26 -3.769 -0.973 14.513 1.00 0.00 C ATOM 405 O LEU A 26 -3.826 -1.341 15.686 1.00 0.00 O ATOM 406 CB LEU A 26 -6.114 -0.034 14.259 1.00 0.00 C ATOM 407 CG LEU A 26 -5.941 1.495 14.094 1.00 0.00 C ATOM 408 CD1 LEU A 26 -4.584 2.071 14.518 1.00 0.00 C ATOM 409 CD2 LEU A 26 -6.231 1.924 12.653 1.00 0.00 C ATOM 0 H LEU A 26 -5.960 -2.614 14.557 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.791 -0.627 12.659 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.073 -0.307 13.819 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.181 -0.245 15.326 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.669 1.910 14.791 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.580 3.149 14.357 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.413 1.861 15.574 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.793 1.613 13.925 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.103 3.003 12.562 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.542 1.418 11.977 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.255 1.657 12.393 1.00 0.00 H new ATOM 421 N TYR A 27 -2.634 -0.537 13.962 1.00 0.00 N ATOM 422 CA TYR A 27 -1.375 -0.395 14.724 1.00 0.00 C ATOM 423 C TYR A 27 -1.422 0.836 15.658 1.00 0.00 C ATOM 424 O TYR A 27 -1.301 1.973 15.197 1.00 0.00 O ATOM 425 CB TYR A 27 -0.225 -0.349 13.706 1.00 0.00 C ATOM 426 CG TYR A 27 1.189 -0.632 14.199 1.00 0.00 C ATOM 427 CD1 TYR A 27 1.948 0.372 14.831 1.00 0.00 C ATOM 428 CD2 TYR A 27 1.796 -1.869 13.908 1.00 0.00 C ATOM 429 CE1 TYR A 27 3.324 0.188 15.075 1.00 0.00 C ATOM 430 CE2 TYR A 27 3.157 -2.082 14.202 1.00 0.00 C ATOM 431 CZ TYR A 27 3.937 -1.041 14.746 1.00 0.00 C ATOM 432 OH TYR A 27 5.270 -1.236 14.952 1.00 0.00 O ATOM 0 H TYR A 27 -2.554 -0.272 12.980 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.220 -1.243 15.391 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.451 -1.066 12.916 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.226 0.640 13.248 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.471 1.293 15.132 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.214 -2.659 13.457 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.908 0.984 15.512 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.605 -3.046 14.010 1.00 0.00 H new ATOM 0 HH TYR A 27 5.516 -2.141 14.668 1.00 0.00 H new ATOM 442 N ILE A 28 -1.628 0.635 16.967 1.00 0.00 N ATOM 443 CA ILE A 28 -1.791 1.732 17.954 1.00 0.00 C ATOM 444 C ILE A 28 -0.499 2.133 18.684 1.00 0.00 C ATOM 445 O ILE A 28 -0.415 3.245 19.208 1.00 0.00 O ATOM 446 CB ILE A 28 -2.883 1.407 19.001 1.00 0.00 C ATOM 447 CG1 ILE A 28 -2.642 0.074 19.746 1.00 0.00 C ATOM 448 CG2 ILE A 28 -4.275 1.453 18.349 1.00 0.00 C ATOM 449 CD1 ILE A 28 -3.323 0.027 21.118 1.00 0.00 C ATOM 0 H ILE A 28 -1.688 -0.295 17.381 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.095 2.587 17.349 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.829 2.179 19.769 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.010 -0.750 19.135 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.570 -0.077 19.873 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.035 1.223 19.096 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.454 2.449 17.944 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.324 0.720 17.544 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.118 -0.932 21.593 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.937 0.832 21.744 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.399 0.148 20.994 1.00 0.00 H new ATOM 461 N GLY A 29 0.494 1.244 18.729 1.00 0.00 N ATOM 462 CA GLY A 29 1.794 1.466 19.367 1.00 0.00 C ATOM 463 C GLY A 29 2.836 0.553 18.740 1.00 0.00 C ATOM 464 O GLY A 29 2.480 -0.313 17.945 1.00 0.00 O ATOM 0 H GLY A 29 0.414 0.318 18.308 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.093 2.508 19.252 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.723 1.271 20.437 1.00 0.00 H new ATOM 468 N ASP A 30 4.111 0.729 19.079 1.00 0.00 N ATOM 469 CA ASP A 30 5.203 -0.013 18.441 1.00 0.00 C ATOM 470 C ASP A 30 5.121 -1.525 18.747 1.00 0.00 C ATOM 471 O ASP A 30 5.562 -1.991 19.802 1.00 0.00 O ATOM 472 CB ASP A 30 6.551 0.598 18.842 1.00 0.00 C ATOM 473 CG ASP A 30 7.716 -0.067 18.091 1.00 0.00 C ATOM 474 OD1 ASP A 30 7.666 -0.113 16.838 1.00 0.00 O ATOM 475 OD2 ASP A 30 8.681 -0.524 18.750 1.00 0.00 O ATOM 0 H ASP A 30 4.418 1.384 19.798 1.00 0.00 H new ATOM 0 HA ASP A 30 5.105 0.077 17.359 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.544 1.667 18.631 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.698 0.486 19.916 1.00 0.00 H new ATOM 480 N GLY A 31 4.517 -2.276 17.819 1.00 0.00 N ATOM 481 CA GLY A 31 4.202 -3.703 17.939 1.00 0.00 C ATOM 482 C GLY A 31 2.860 -4.022 18.605 1.00 0.00 C ATOM 483 O GLY A 31 2.556 -5.200 18.781 1.00 0.00 O ATOM 0 H GLY A 31 4.221 -1.887 16.924 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.209 -4.145 16.943 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.996 -4.187 18.508 1.00 0.00 H new ATOM 487 N TYR A 32 2.045 -3.022 18.956 1.00 0.00 N ATOM 488 CA TYR A 32 0.734 -3.178 19.608 1.00 0.00 C ATOM 489 C TYR A 32 -0.431 -2.799 18.678 1.00 0.00 C ATOM 490 O TYR A 32 -0.370 -1.802 17.956 1.00 0.00 O ATOM 491 CB TYR A 32 0.692 -2.343 20.897 1.00 0.00 C ATOM 492 CG TYR A 32 1.490 -2.952 22.034 1.00 0.00 C ATOM 493 CD1 TYR A 32 2.859 -2.652 22.184 1.00 0.00 C ATOM 494 CD2 TYR A 32 0.866 -3.839 22.934 1.00 0.00 C ATOM 495 CE1 TYR A 32 3.602 -3.235 23.228 1.00 0.00 C ATOM 496 CE2 TYR A 32 1.599 -4.419 23.987 1.00 0.00 C ATOM 497 CZ TYR A 32 2.972 -4.116 24.137 1.00 0.00 C ATOM 498 OH TYR A 32 3.694 -4.675 25.150 1.00 0.00 O ATOM 0 H TYR A 32 2.286 -2.045 18.789 1.00 0.00 H new ATOM 0 HA TYR A 32 0.610 -4.233 19.853 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.076 -1.345 20.687 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.345 -2.226 21.212 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.340 -1.973 21.496 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.181 -4.075 22.815 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.653 -3.009 23.335 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.114 -5.093 24.678 1.00 0.00 H new ATOM 0 HH TYR A 32 3.112 -5.255 25.685 1.00 0.00 H new ATOM 508 N VAL A 33 -1.514 -3.583 18.713 1.00 0.00 N ATOM 509 CA VAL A 33 -2.637 -3.492 17.763 1.00 0.00 C ATOM 510 C VAL A 33 -4.013 -3.621 18.422 1.00 0.00 C ATOM 511 O VAL A 33 -4.163 -4.273 19.455 1.00 0.00 O ATOM 512 CB VAL A 33 -2.534 -4.550 16.631 1.00 0.00 C ATOM 513 CG1 VAL A 33 -1.325 -4.326 15.712 1.00 0.00 C ATOM 514 CG2 VAL A 33 -2.476 -6.005 17.136 1.00 0.00 C ATOM 0 H VAL A 33 -1.640 -4.313 19.414 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.552 -2.490 17.344 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.459 -4.408 16.073 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.306 -5.096 14.941 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.401 -3.345 15.243 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.408 -4.378 16.298 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.405 -6.683 16.285 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.603 -6.133 17.776 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.379 -6.229 17.704 1.00 0.00 H new ATOM 524 N ILE A 34 -5.021 -3.009 17.795 1.00 0.00 N ATOM 525 CA ILE A 34 -6.454 -3.178 18.105 1.00 0.00 C ATOM 526 C ILE A 34 -7.070 -3.991 16.961 1.00 0.00 C ATOM 527 O ILE A 34 -6.799 -3.695 15.804 1.00 0.00 O ATOM 528 CB ILE A 34 -7.142 -1.798 18.245 1.00 0.00 C ATOM 529 CG1 ILE A 34 -6.589 -0.999 19.443 1.00 0.00 C ATOM 530 CG2 ILE A 34 -8.678 -1.908 18.330 1.00 0.00 C ATOM 531 CD1 ILE A 34 -7.001 -1.497 20.833 1.00 0.00 C ATOM 0 H ILE A 34 -4.862 -2.356 17.028 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.591 -3.698 19.053 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.904 -1.251 17.333 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.501 -1.004 19.386 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.909 0.038 19.341 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.109 -0.912 18.427 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.059 -2.382 17.426 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.952 -2.508 19.197 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.554 -0.859 21.595 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.087 -1.464 20.924 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.656 -2.522 20.969 1.00 0.00 H new ATOM 543 N HIS A 35 -7.889 -5.000 17.242 1.00 0.00 N ATOM 544 CA HIS A 35 -8.412 -5.929 16.228 1.00 0.00 C ATOM 545 C HIS A 35 -9.785 -6.501 16.627 1.00 0.00 C ATOM 546 O HIS A 35 -10.130 -6.498 17.808 1.00 0.00 O ATOM 547 CB HIS A 35 -7.377 -7.051 16.007 1.00 0.00 C ATOM 548 CG HIS A 35 -7.190 -7.958 17.199 1.00 0.00 C ATOM 549 ND1 HIS A 35 -7.693 -9.233 17.339 1.00 0.00 N ATOM 550 CD2 HIS A 35 -6.506 -7.669 18.351 1.00 0.00 C ATOM 551 CE1 HIS A 35 -7.325 -9.694 18.550 1.00 0.00 C ATOM 552 NE2 HIS A 35 -6.600 -8.771 19.207 1.00 0.00 N ATOM 0 H HIS A 35 -8.215 -5.203 18.187 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.568 -5.387 15.295 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.685 -7.652 15.151 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.418 -6.601 15.752 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -8.247 -9.739 16.647 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.984 -6.748 18.562 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.577 -10.669 18.939 1.00 0.00 H new ATOM 560 N LEU A 36 -10.562 -7.008 15.661 1.00 0.00 N ATOM 561 CA LEU A 36 -11.887 -7.598 15.913 1.00 0.00 C ATOM 562 C LEU A 36 -11.819 -9.134 15.938 1.00 0.00 C ATOM 563 O LEU A 36 -11.432 -9.762 14.951 1.00 0.00 O ATOM 564 CB LEU A 36 -12.864 -7.091 14.834 1.00 0.00 C ATOM 565 CG LEU A 36 -14.335 -7.481 15.098 1.00 0.00 C ATOM 566 CD1 LEU A 36 -14.969 -6.584 16.172 1.00 0.00 C ATOM 567 CD2 LEU A 36 -15.154 -7.373 13.811 1.00 0.00 C ATOM 0 H LEU A 36 -10.290 -7.021 14.678 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.244 -7.289 16.895 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.791 -6.005 14.771 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.560 -7.488 13.865 1.00 0.00 H new ATOM 0 HG LEU A 36 -14.340 -8.511 15.454 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -16.004 -6.885 16.333 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.413 -6.684 17.104 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -14.941 -5.546 15.842 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -16.188 -7.651 14.014 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.119 -6.348 13.443 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.739 -8.043 13.058 1.00 0.00 H new ATOM 579 N ALA A 37 -12.249 -9.738 17.043 1.00 0.00 N ATOM 580 CA ALA A 37 -12.473 -11.178 17.203 1.00 0.00 C ATOM 581 C ALA A 37 -13.874 -11.571 16.664 1.00 0.00 C ATOM 582 O ALA A 37 -14.809 -10.767 16.778 1.00 0.00 O ATOM 583 CB ALA A 37 -12.302 -11.512 18.691 1.00 0.00 C ATOM 0 H ALA A 37 -12.462 -9.215 17.893 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.752 -11.755 16.624 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.463 -12.579 18.845 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -11.294 -11.247 19.010 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.028 -10.948 19.276 1.00 0.00 H new ATOM 589 N PRO A 38 -14.041 -12.780 16.086 1.00 0.00 N ATOM 590 CA PRO A 38 -15.247 -13.167 15.351 1.00 0.00 C ATOM 591 C PRO A 38 -16.475 -13.421 16.251 1.00 0.00 C ATOM 592 O PRO A 38 -16.312 -13.740 17.431 1.00 0.00 O ATOM 593 CB PRO A 38 -14.868 -14.457 14.611 1.00 0.00 C ATOM 594 CG PRO A 38 -13.833 -15.088 15.538 1.00 0.00 C ATOM 595 CD PRO A 38 -13.064 -13.865 16.043 1.00 0.00 C ATOM 0 HA PRO A 38 -15.549 -12.355 14.690 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.730 -15.108 14.465 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.454 -14.250 13.624 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.300 -15.641 16.353 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.185 -15.787 15.009 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.638 -14.049 17.029 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.235 -13.621 15.379 1.00 0.00 H new ATOM 603 N PRO A 39 -17.701 -13.335 15.687 1.00 0.00 N ATOM 604 CA PRO A 39 -18.931 -13.760 16.353 1.00 0.00 C ATOM 605 C PRO A 39 -19.114 -15.291 16.322 1.00 0.00 C ATOM 606 O PRO A 39 -19.784 -15.850 17.188 1.00 0.00 O ATOM 607 CB PRO A 39 -20.054 -13.058 15.577 1.00 0.00 C ATOM 608 CG PRO A 39 -19.504 -12.953 14.155 1.00 0.00 C ATOM 609 CD PRO A 39 -17.999 -12.783 14.369 1.00 0.00 C ATOM 0 HA PRO A 39 -18.921 -13.496 17.411 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -20.980 -13.632 15.606 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -20.275 -12.075 15.994 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -19.729 -13.845 13.570 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -19.932 -12.105 13.620 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.436 -13.304 13.594 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.716 -11.732 14.316 1.00 0.00 H new ATOM 842 N SER A 57 -21.394 -12.743 20.066 1.00 0.00 N ATOM 843 CA SER A 57 -21.135 -11.460 19.385 1.00 0.00 C ATOM 844 C SER A 57 -19.639 -11.301 19.036 1.00 0.00 C ATOM 845 O SER A 57 -18.772 -11.896 19.684 1.00 0.00 O ATOM 846 CB SER A 57 -21.572 -10.286 20.277 1.00 0.00 C ATOM 847 OG SER A 57 -22.933 -10.414 20.665 1.00 0.00 O ATOM 0 HA SER A 57 -21.712 -11.456 18.460 1.00 0.00 H new ATOM 0 HB2 SER A 57 -20.940 -10.245 21.164 1.00 0.00 H new ATOM 0 HB3 SER A 57 -21.430 -9.347 19.742 1.00 0.00 H new ATOM 0 HG SER A 57 -23.201 -11.355 20.613 1.00 0.00 H new ATOM 853 N ALA A 58 -19.322 -10.468 18.037 1.00 0.00 N ATOM 854 CA ALA A 58 -17.951 -10.044 17.741 1.00 0.00 C ATOM 855 C ALA A 58 -17.422 -9.165 18.889 1.00 0.00 C ATOM 856 O ALA A 58 -18.219 -8.501 19.556 1.00 0.00 O ATOM 857 CB ALA A 58 -17.956 -9.263 16.418 1.00 0.00 C ATOM 0 H ALA A 58 -20.017 -10.067 17.407 1.00 0.00 H new ATOM 0 HA ALA A 58 -17.297 -10.911 17.646 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.942 -8.940 16.183 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -18.327 -9.904 15.618 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -18.602 -8.390 16.513 1.00 0.00 H new ATOM 863 N GLU A 59 -16.104 -9.116 19.098 1.00 0.00 N ATOM 864 CA GLU A 59 -15.487 -8.356 20.195 1.00 0.00 C ATOM 865 C GLU A 59 -14.231 -7.620 19.718 1.00 0.00 C ATOM 866 O GLU A 59 -13.368 -8.227 19.092 1.00 0.00 O ATOM 867 CB GLU A 59 -15.163 -9.298 21.370 1.00 0.00 C ATOM 868 CG GLU A 59 -14.709 -8.539 22.623 1.00 0.00 C ATOM 869 CD GLU A 59 -14.538 -9.497 23.814 1.00 0.00 C ATOM 870 OE1 GLU A 59 -13.551 -10.268 23.841 1.00 0.00 O ATOM 871 OE2 GLU A 59 -15.389 -9.479 24.734 1.00 0.00 O ATOM 0 H GLU A 59 -15.429 -9.604 18.509 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.197 -7.603 20.538 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -16.045 -9.892 21.609 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.381 -9.995 21.068 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.766 -8.030 22.423 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.440 -7.770 22.872 1.00 0.00 H new ATOM 878 N VAL A 60 -14.108 -6.328 20.027 1.00 0.00 N ATOM 879 CA VAL A 60 -12.900 -5.527 19.756 1.00 0.00 C ATOM 880 C VAL A 60 -11.903 -5.712 20.905 1.00 0.00 C ATOM 881 O VAL A 60 -12.246 -5.501 22.068 1.00 0.00 O ATOM 882 CB VAL A 60 -13.211 -4.027 19.555 1.00 0.00 C ATOM 883 CG1 VAL A 60 -11.926 -3.235 19.255 1.00 0.00 C ATOM 884 CG2 VAL A 60 -14.194 -3.809 18.393 1.00 0.00 C ATOM 0 H VAL A 60 -14.852 -5.796 20.479 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.469 -5.884 18.821 1.00 0.00 H new ATOM 0 HB VAL A 60 -13.660 -3.672 20.483 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -12.171 -2.182 19.117 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -11.231 -3.340 20.088 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.464 -3.622 18.347 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.391 -2.743 18.279 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -13.761 -4.199 17.472 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -15.128 -4.330 18.604 1.00 0.00 H new ATOM 894 N LYS A 61 -10.669 -6.098 20.575 1.00 0.00 N ATOM 895 CA LYS A 61 -9.623 -6.513 21.519 1.00 0.00 C ATOM 896 C LYS A 61 -8.273 -5.813 21.250 1.00 0.00 C ATOM 897 O LYS A 61 -8.008 -5.346 20.138 1.00 0.00 O ATOM 898 CB LYS A 61 -9.480 -8.052 21.455 1.00 0.00 C ATOM 899 CG LYS A 61 -10.798 -8.776 21.786 1.00 0.00 C ATOM 900 CD LYS A 61 -10.654 -10.298 21.875 1.00 0.00 C ATOM 901 CE LYS A 61 -9.964 -10.724 23.181 1.00 0.00 C ATOM 902 NZ LYS A 61 -9.970 -12.203 23.350 1.00 0.00 N ATOM 0 H LYS A 61 -10.356 -6.132 19.605 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.921 -6.210 22.523 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.149 -8.343 20.458 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.707 -8.372 22.154 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.182 -8.399 22.734 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.538 -8.533 21.023 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.639 -10.762 21.815 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.078 -10.660 21.023 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.936 -10.362 23.184 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.469 -10.259 24.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.496 -12.452 24.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.952 -12.546 23.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.466 -12.645 22.555 1.00 0.00 H new ATOM 916 N ARG A 62 -7.417 -5.742 22.282 1.00 0.00 N ATOM 917 CA ARG A 62 -6.042 -5.209 22.229 1.00 0.00 C ATOM 918 C ARG A 62 -5.027 -6.350 22.400 1.00 0.00 C ATOM 919 O ARG A 62 -5.222 -7.226 23.244 1.00 0.00 O ATOM 920 CB ARG A 62 -5.873 -4.134 23.319 1.00 0.00 C ATOM 921 CG ARG A 62 -4.528 -3.391 23.214 1.00 0.00 C ATOM 922 CD ARG A 62 -4.427 -2.215 24.195 1.00 0.00 C ATOM 923 NE ARG A 62 -4.421 -2.672 25.600 1.00 0.00 N ATOM 924 CZ ARG A 62 -4.518 -1.902 26.678 1.00 0.00 C ATOM 925 NH1 ARG A 62 -4.636 -0.591 26.600 1.00 0.00 N ATOM 926 NH2 ARG A 62 -4.490 -2.454 27.872 1.00 0.00 N ATOM 0 H ARG A 62 -7.672 -6.067 23.215 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.859 -4.748 21.258 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.688 -3.414 23.244 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.950 -4.602 24.301 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.714 -4.091 23.406 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.399 -3.023 22.196 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.517 -1.650 23.993 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.265 -1.537 24.037 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.334 -3.676 25.757 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.655 -0.134 25.688 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.708 -0.034 27.451 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.394 -3.465 27.964 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.564 -1.871 28.705 1.00 0.00 H new ATOM 940 N GLU A 63 -3.942 -6.322 21.622 1.00 0.00 N ATOM 941 CA GLU A 63 -2.967 -7.419 21.522 1.00 0.00 C ATOM 942 C GLU A 63 -1.681 -6.942 20.824 1.00 0.00 C ATOM 943 O GLU A 63 -1.644 -5.840 20.271 1.00 0.00 O ATOM 944 CB GLU A 63 -3.647 -8.595 20.780 1.00 0.00 C ATOM 945 CG GLU A 63 -2.886 -9.920 20.695 1.00 0.00 C ATOM 946 CD GLU A 63 -2.430 -10.425 22.073 1.00 0.00 C ATOM 947 OE1 GLU A 63 -1.359 -9.984 22.549 1.00 0.00 O ATOM 948 OE2 GLU A 63 -3.144 -11.259 22.680 1.00 0.00 O ATOM 0 H GLU A 63 -3.709 -5.523 21.032 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.662 -7.758 22.512 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.604 -8.789 21.265 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.865 -8.268 19.763 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.522 -10.672 20.228 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.016 -9.795 20.051 1.00 0.00 H new ATOM 955 N ARG A 64 -0.621 -7.754 20.825 1.00 0.00 N ATOM 956 CA ARG A 64 0.599 -7.509 20.041 1.00 0.00 C ATOM 957 C ARG A 64 0.466 -8.043 18.612 1.00 0.00 C ATOM 958 O ARG A 64 -0.101 -9.115 18.392 1.00 0.00 O ATOM 959 CB ARG A 64 1.824 -8.146 20.712 1.00 0.00 C ATOM 960 CG ARG A 64 2.058 -7.652 22.148 1.00 0.00 C ATOM 961 CD ARG A 64 3.406 -8.124 22.714 1.00 0.00 C ATOM 962 NE ARG A 64 3.556 -9.586 22.645 1.00 0.00 N ATOM 963 CZ ARG A 64 4.606 -10.308 23.008 1.00 0.00 C ATOM 964 NH1 ARG A 64 5.675 -9.782 23.573 1.00 0.00 N ATOM 965 NH2 ARG A 64 4.563 -11.601 22.787 1.00 0.00 N ATOM 0 H ARG A 64 -0.582 -8.611 21.376 1.00 0.00 H new ATOM 0 HA ARG A 64 0.737 -6.429 19.998 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.701 -9.229 20.724 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.709 -7.932 20.113 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.020 -6.563 22.166 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.252 -8.010 22.789 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.217 -7.651 22.160 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.497 -7.800 23.751 1.00 0.00 H new ATOM 0 HE ARG A 64 2.759 -10.104 22.275 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.718 -8.778 23.748 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.459 -10.379 23.835 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.741 -12.017 22.350 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.352 -12.190 23.052 1.00 0.00 H new ATOM 979 N LEU A 65 1.068 -7.360 17.631 1.00 0.00 N ATOM 980 CA LEU A 65 1.039 -7.755 16.213 1.00 0.00 C ATOM 981 C LEU A 65 1.500 -9.208 16.023 1.00 0.00 C ATOM 982 O LEU A 65 0.760 -10.011 15.458 1.00 0.00 O ATOM 983 CB LEU A 65 1.896 -6.755 15.401 1.00 0.00 C ATOM 984 CG LEU A 65 1.966 -7.047 13.882 1.00 0.00 C ATOM 985 CD1 LEU A 65 0.577 -7.034 13.230 1.00 0.00 C ATOM 986 CD2 LEU A 65 2.851 -5.998 13.191 1.00 0.00 C ATOM 0 H LEU A 65 1.597 -6.505 17.800 1.00 0.00 H new ATOM 0 HA LEU A 65 0.014 -7.718 15.844 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.495 -5.752 15.546 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.909 -6.754 15.804 1.00 0.00 H new ATOM 0 HG LEU A 65 2.390 -8.044 13.761 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.673 -7.243 12.165 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.050 -7.795 13.694 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.120 -6.054 13.367 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.897 -6.208 12.122 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.429 -5.005 13.348 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.856 -6.036 13.612 1.00 0.00 H new ATOM 998 N GLU A 66 2.655 -9.572 16.589 1.00 0.00 N ATOM 999 CA GLU A 66 3.203 -10.935 16.515 1.00 0.00 C ATOM 1000 C GLU A 66 2.264 -12.019 17.085 1.00 0.00 C ATOM 1001 O GLU A 66 2.280 -13.148 16.597 1.00 0.00 O ATOM 1002 CB GLU A 66 4.586 -10.992 17.193 1.00 0.00 C ATOM 1003 CG GLU A 66 4.571 -10.758 18.713 1.00 0.00 C ATOM 1004 CD GLU A 66 6.002 -10.734 19.270 1.00 0.00 C ATOM 1005 OE1 GLU A 66 6.551 -11.818 19.582 1.00 0.00 O ATOM 1006 OE2 GLU A 66 6.586 -9.630 19.395 1.00 0.00 O ATOM 0 H GLU A 66 3.242 -8.926 17.116 1.00 0.00 H new ATOM 0 HA GLU A 66 3.306 -11.166 15.455 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.032 -11.966 16.994 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.232 -10.245 16.731 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.072 -9.815 18.936 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.998 -11.546 19.202 1.00 0.00 H new ATOM 1013 N ASP A 67 1.408 -11.686 18.061 1.00 0.00 N ATOM 1014 CA ASP A 67 0.435 -12.619 18.646 1.00 0.00 C ATOM 1015 C ASP A 67 -0.871 -12.676 17.838 1.00 0.00 C ATOM 1016 O ASP A 67 -1.478 -13.743 17.747 1.00 0.00 O ATOM 1017 CB ASP A 67 0.153 -12.235 20.107 1.00 0.00 C ATOM 1018 CG ASP A 67 1.316 -12.616 21.035 1.00 0.00 C ATOM 1019 OD1 ASP A 67 1.429 -13.812 21.397 1.00 0.00 O ATOM 1020 OD2 ASP A 67 2.108 -11.719 21.414 1.00 0.00 O ATOM 0 H ASP A 67 1.371 -10.753 18.470 1.00 0.00 H new ATOM 0 HA ASP A 67 0.872 -13.617 18.614 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.026 -11.162 20.172 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.757 -12.731 20.443 1.00 0.00 H new ATOM 1025 N VAL A 68 -1.282 -11.565 17.207 1.00 0.00 N ATOM 1026 CA VAL A 68 -2.394 -11.557 16.234 1.00 0.00 C ATOM 1027 C VAL A 68 -2.016 -12.311 14.950 1.00 0.00 C ATOM 1028 O VAL A 68 -2.832 -13.068 14.426 1.00 0.00 O ATOM 1029 CB VAL A 68 -2.926 -10.137 15.919 1.00 0.00 C ATOM 1030 CG1 VAL A 68 -4.148 -10.172 14.984 1.00 0.00 C ATOM 1031 CG2 VAL A 68 -3.361 -9.433 17.208 1.00 0.00 C ATOM 0 H VAL A 68 -0.857 -10.649 17.353 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.218 -12.086 16.713 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.109 -9.603 15.433 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.487 -9.154 14.790 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.873 -10.648 14.043 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.951 -10.739 15.456 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.733 -8.436 16.971 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.151 -10.010 17.689 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.509 -9.351 17.883 1.00 0.00 H new ATOM 1041 N VAL A 69 -0.784 -12.141 14.467 1.00 0.00 N ATOM 1042 CA VAL A 69 -0.313 -12.723 13.199 1.00 0.00 C ATOM 1043 C VAL A 69 0.118 -14.186 13.360 1.00 0.00 C ATOM 1044 O VAL A 69 -0.232 -15.015 12.520 1.00 0.00 O ATOM 1045 CB VAL A 69 0.835 -11.867 12.619 1.00 0.00 C ATOM 1046 CG1 VAL A 69 1.459 -12.466 11.353 1.00 0.00 C ATOM 1047 CG2 VAL A 69 0.302 -10.463 12.279 1.00 0.00 C ATOM 0 H VAL A 69 -0.073 -11.589 14.948 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.148 -12.717 12.499 1.00 0.00 H new ATOM 0 HB VAL A 69 1.612 -11.830 13.383 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.258 -11.815 10.998 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.867 -13.451 11.579 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.696 -12.558 10.580 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.110 -9.856 11.869 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.498 -10.546 11.544 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.083 -9.991 13.183 1.00 0.00 H new ATOM 1057 N GLY A 70 0.870 -14.521 14.418 1.00 0.00 N ATOM 1058 CA GLY A 70 1.420 -15.865 14.620 1.00 0.00 C ATOM 1059 C GLY A 70 2.376 -16.241 13.483 1.00 0.00 C ATOM 1060 O GLY A 70 3.314 -15.499 13.181 1.00 0.00 O ATOM 0 H GLY A 70 1.114 -13.864 15.159 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.948 -15.907 15.573 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.608 -16.590 14.673 1.00 0.00 H new ATOM 1064 N GLY A 71 2.110 -17.377 12.829 1.00 0.00 N ATOM 1065 CA GLY A 71 2.814 -17.840 11.620 1.00 0.00 C ATOM 1066 C GLY A 71 2.125 -17.487 10.293 1.00 0.00 C ATOM 1067 O GLY A 71 2.619 -17.877 9.233 1.00 0.00 O ATOM 0 H GLY A 71 1.379 -18.021 13.132 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.817 -17.414 11.616 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.928 -18.923 11.676 1.00 0.00 H new ATOM 1071 N CYS A 72 0.978 -16.795 10.329 1.00 0.00 N ATOM 1072 CA CYS A 72 0.132 -16.512 9.158 1.00 0.00 C ATOM 1073 C CYS A 72 0.626 -15.325 8.300 1.00 0.00 C ATOM 1074 O CYS A 72 1.484 -14.540 8.711 1.00 0.00 O ATOM 1075 CB CYS A 72 -1.313 -16.288 9.637 1.00 0.00 C ATOM 1076 SG CYS A 72 -1.951 -17.766 10.484 1.00 0.00 S ATOM 0 H CYS A 72 0.602 -16.406 11.194 1.00 0.00 H new ATOM 0 HA CYS A 72 0.186 -17.377 8.497 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -1.348 -15.433 10.312 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.950 -16.048 8.786 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.170 -17.548 10.879 1.00 0.00 H new ATOM 1082 N CYS A 73 0.040 -15.182 7.106 1.00 0.00 N ATOM 1083 CA CYS A 73 0.279 -14.066 6.182 1.00 0.00 C ATOM 1084 C CYS A 73 -0.454 -12.777 6.609 1.00 0.00 C ATOM 1085 O CYS A 73 -1.501 -12.821 7.260 1.00 0.00 O ATOM 1086 CB CYS A 73 -0.144 -14.504 4.766 1.00 0.00 C ATOM 1087 SG CYS A 73 0.782 -15.980 4.244 1.00 0.00 S ATOM 0 H CYS A 73 -0.633 -15.858 6.745 1.00 0.00 H new ATOM 0 HA CYS A 73 1.341 -13.823 6.197 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -1.213 -14.715 4.750 1.00 0.00 H new ATOM 0 HB3 CYS A 73 0.031 -13.691 4.061 1.00 0.00 H new ATOM 0 HG CYS A 73 0.405 -16.329 3.050 1.00 0.00 H new ATOM 1093 N TYR A 74 0.069 -11.623 6.177 1.00 0.00 N ATOM 1094 CA TYR A 74 -0.512 -10.294 6.422 1.00 0.00 C ATOM 1095 C TYR A 74 -0.013 -9.217 5.436 1.00 0.00 C ATOM 1096 O TYR A 74 0.998 -9.410 4.758 1.00 0.00 O ATOM 1097 CB TYR A 74 -0.260 -9.859 7.883 1.00 0.00 C ATOM 1098 CG TYR A 74 1.165 -9.441 8.198 1.00 0.00 C ATOM 1099 CD1 TYR A 74 2.162 -10.414 8.395 1.00 0.00 C ATOM 1100 CD2 TYR A 74 1.494 -8.072 8.299 1.00 0.00 C ATOM 1101 CE1 TYR A 74 3.483 -10.028 8.683 1.00 0.00 C ATOM 1102 CE2 TYR A 74 2.814 -7.677 8.591 1.00 0.00 C ATOM 1103 CZ TYR A 74 3.815 -8.659 8.786 1.00 0.00 C ATOM 1104 OH TYR A 74 5.095 -8.291 9.066 1.00 0.00 O ATOM 0 H TYR A 74 0.931 -11.585 5.633 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.585 -10.387 6.252 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.925 -9.028 8.117 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.534 -10.682 8.542 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.911 -11.462 8.325 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.729 -7.324 8.152 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.245 -10.780 8.826 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.062 -6.628 8.666 1.00 0.00 H new ATOM 0 HH TYR A 74 5.154 -7.313 9.101 1.00 0.00 H new ATOM 1114 N ARG A 75 -0.694 -8.063 5.393 1.00 0.00 N ATOM 1115 CA ARG A 75 -0.322 -6.853 4.626 1.00 0.00 C ATOM 1116 C ARG A 75 -1.026 -5.603 5.178 1.00 0.00 C ATOM 1117 O ARG A 75 -2.002 -5.746 5.901 1.00 0.00 O ATOM 1118 CB ARG A 75 -0.509 -7.015 3.097 1.00 0.00 C ATOM 1119 CG ARG A 75 -1.955 -7.064 2.577 1.00 0.00 C ATOM 1120 CD ARG A 75 -2.640 -8.395 2.875 1.00 0.00 C ATOM 1121 NE ARG A 75 -4.052 -8.373 2.455 1.00 0.00 N ATOM 1122 CZ ARG A 75 -4.864 -9.413 2.335 1.00 0.00 C ATOM 1123 NH1 ARG A 75 -4.446 -10.657 2.398 1.00 0.00 N ATOM 1124 NH2 ARG A 75 -6.145 -9.207 2.175 1.00 0.00 N ATOM 0 H ARG A 75 -1.561 -7.936 5.915 1.00 0.00 H new ATOM 0 HA ARG A 75 0.750 -6.712 4.768 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.002 -6.189 2.603 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.006 -7.931 2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.528 -6.255 3.030 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.956 -6.892 1.501 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.117 -9.200 2.359 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.579 -8.608 3.942 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.447 -7.459 2.233 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.456 -10.856 2.545 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.111 -11.424 2.300 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.508 -8.254 2.144 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.781 -9.999 2.081 1.00 0.00 H new ATOM 1138 N VAL A 76 -0.580 -4.392 4.838 1.00 0.00 N ATOM 1139 CA VAL A 76 -1.291 -3.135 5.157 1.00 0.00 C ATOM 1140 C VAL A 76 -1.956 -2.582 3.897 1.00 0.00 C ATOM 1141 O VAL A 76 -1.340 -2.568 2.832 1.00 0.00 O ATOM 1142 CB VAL A 76 -0.364 -2.093 5.816 1.00 0.00 C ATOM 1143 CG1 VAL A 76 -0.995 -0.696 5.966 1.00 0.00 C ATOM 1144 CG2 VAL A 76 0.026 -2.599 7.211 1.00 0.00 C ATOM 0 H VAL A 76 0.292 -4.246 4.329 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.065 -3.359 5.891 1.00 0.00 H new ATOM 0 HB VAL A 76 0.497 -1.981 5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.280 -0.022 6.438 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.263 -0.310 4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.890 -0.765 6.584 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.682 -1.873 7.691 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.872 -2.731 7.814 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.545 -3.553 7.120 1.00 0.00 H new ATOM 1154 N ASN A 77 -3.205 -2.129 4.034 1.00 0.00 N ATOM 1155 CA ASN A 77 -4.087 -1.760 2.927 1.00 0.00 C ATOM 1156 C ASN A 77 -5.092 -0.652 3.317 1.00 0.00 C ATOM 1157 O ASN A 77 -5.868 -0.805 4.256 1.00 0.00 O ATOM 1158 CB ASN A 77 -4.816 -3.039 2.482 1.00 0.00 C ATOM 1159 CG ASN A 77 -5.752 -2.859 1.290 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -5.874 -1.791 0.701 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -6.445 -3.912 0.911 1.00 0.00 N ATOM 0 H ASN A 77 -3.642 -2.006 4.947 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.496 -1.344 2.111 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.073 -3.796 2.232 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.392 -3.424 3.324 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.088 -3.842 0.123 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.339 -4.798 1.406 1.00 0.00 H new ATOM 1168 N ASN A 78 -5.102 0.444 2.552 1.00 0.00 N ATOM 1169 CA ASN A 78 -5.973 1.613 2.740 1.00 0.00 C ATOM 1170 C ASN A 78 -6.719 1.983 1.433 1.00 0.00 C ATOM 1171 O ASN A 78 -6.854 3.149 1.067 1.00 0.00 O ATOM 1172 CB ASN A 78 -5.118 2.753 3.332 1.00 0.00 C ATOM 1173 CG ASN A 78 -4.956 2.613 4.842 1.00 0.00 C ATOM 1174 OD1 ASN A 78 -3.996 2.040 5.346 1.00 0.00 O ATOM 1175 ND2 ASN A 78 -5.899 3.134 5.610 1.00 0.00 N ATOM 0 H ASN A 78 -4.479 0.547 1.751 1.00 0.00 H new ATOM 0 HA ASN A 78 -6.773 1.394 3.447 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -4.136 2.754 2.859 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -5.583 3.712 3.104 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.829 3.060 6.625 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -6.696 3.610 5.187 1.00 0.00 H new ATOM 1182 N SER A 79 -7.208 0.976 0.702 1.00 0.00 N ATOM 1183 CA SER A 79 -7.868 1.121 -0.610 1.00 0.00 C ATOM 1184 C SER A 79 -9.095 2.052 -0.624 1.00 0.00 C ATOM 1185 O SER A 79 -9.332 2.724 -1.630 1.00 0.00 O ATOM 1186 CB SER A 79 -8.278 -0.267 -1.125 1.00 0.00 C ATOM 1187 OG SER A 79 -9.101 -0.952 -0.189 1.00 0.00 O ATOM 0 H SER A 79 -7.156 0.006 1.012 1.00 0.00 H new ATOM 0 HA SER A 79 -7.133 1.595 -1.260 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.811 -0.162 -2.070 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.385 -0.859 -1.327 1.00 0.00 H new ATOM 0 HG SER A 79 -9.345 -1.830 -0.549 1.00 0.00 H new ATOM 1193 N LEU A 80 -9.843 2.139 0.484 1.00 0.00 N ATOM 1194 CA LEU A 80 -10.976 3.063 0.628 1.00 0.00 C ATOM 1195 C LEU A 80 -10.500 4.506 0.827 1.00 0.00 C ATOM 1196 O LEU A 80 -11.012 5.425 0.197 1.00 0.00 O ATOM 1197 CB LEU A 80 -11.866 2.610 1.803 1.00 0.00 C ATOM 1198 CG LEU A 80 -13.157 3.440 1.975 1.00 0.00 C ATOM 1199 CD1 LEU A 80 -14.066 3.305 0.745 1.00 0.00 C ATOM 1200 CD2 LEU A 80 -13.902 3.003 3.245 1.00 0.00 C ATOM 0 H LEU A 80 -9.678 1.566 1.312 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.561 3.041 -0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.136 1.564 1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.287 2.664 2.725 1.00 0.00 H new ATOM 0 HG LEU A 80 -12.879 4.489 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -14.968 3.899 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -13.537 3.661 -0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -14.339 2.259 0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -14.810 3.595 3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.164 1.948 3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -13.261 3.156 4.113 1.00 0.00 H new ATOM 1212 N ASP A 81 -9.500 4.708 1.686 1.00 0.00 N ATOM 1213 CA ASP A 81 -8.927 6.022 1.982 1.00 0.00 C ATOM 1214 C ASP A 81 -8.279 6.627 0.732 1.00 0.00 C ATOM 1215 O ASP A 81 -8.420 7.820 0.468 1.00 0.00 O ATOM 1216 CB ASP A 81 -7.892 5.889 3.105 1.00 0.00 C ATOM 1217 CG ASP A 81 -8.490 5.275 4.363 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -9.053 6.019 5.195 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -8.426 4.032 4.498 1.00 0.00 O ATOM 0 H ASP A 81 -9.058 3.949 2.205 1.00 0.00 H new ATOM 0 HA ASP A 81 -9.726 6.689 2.305 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.061 5.273 2.761 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.484 6.872 3.340 1.00 0.00 H new ATOM 1224 N HIS A 82 -7.650 5.777 -0.084 1.00 0.00 N ATOM 1225 CA HIS A 82 -7.095 6.117 -1.394 1.00 0.00 C ATOM 1226 C HIS A 82 -8.145 6.689 -2.383 1.00 0.00 C ATOM 1227 O HIS A 82 -7.767 7.342 -3.360 1.00 0.00 O ATOM 1228 CB HIS A 82 -6.412 4.851 -1.948 1.00 0.00 C ATOM 1229 CG HIS A 82 -5.594 5.076 -3.196 1.00 0.00 C ATOM 1230 ND1 HIS A 82 -4.305 5.559 -3.251 1.00 0.00 N ATOM 1231 CD2 HIS A 82 -5.977 4.808 -4.485 1.00 0.00 C ATOM 1232 CE1 HIS A 82 -3.922 5.582 -4.540 1.00 0.00 C ATOM 1233 NE2 HIS A 82 -4.912 5.135 -5.337 1.00 0.00 N ATOM 0 H HIS A 82 -7.509 4.797 0.160 1.00 0.00 H new ATOM 0 HA HIS A 82 -6.373 6.924 -1.275 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -5.766 4.435 -1.175 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.177 4.104 -2.160 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.934 4.413 -4.792 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -2.955 5.913 -4.888 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -4.891 5.051 -6.353 1.00 0.00 H new ATOM 1241 N GLU A 83 -9.453 6.511 -2.133 1.00 0.00 N ATOM 1242 CA GLU A 83 -10.508 7.144 -2.934 1.00 0.00 C ATOM 1243 C GLU A 83 -10.671 8.651 -2.651 1.00 0.00 C ATOM 1244 O GLU A 83 -11.232 9.354 -3.499 1.00 0.00 O ATOM 1245 CB GLU A 83 -11.865 6.434 -2.788 1.00 0.00 C ATOM 1246 CG GLU A 83 -11.820 4.987 -3.299 1.00 0.00 C ATOM 1247 CD GLU A 83 -13.222 4.374 -3.452 1.00 0.00 C ATOM 1248 OE1 GLU A 83 -14.049 4.921 -4.225 1.00 0.00 O ATOM 1249 OE2 GLU A 83 -13.495 3.311 -2.846 1.00 0.00 O ATOM 0 H GLU A 83 -9.805 5.927 -1.374 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.171 7.038 -3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.165 6.438 -1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.625 6.989 -3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.308 4.960 -4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.234 4.379 -2.609 1.00 0.00 H new ATOM 1256 N TYR A 84 -10.188 9.179 -1.510 1.00 0.00 N ATOM 1257 CA TYR A 84 -10.447 10.587 -1.134 1.00 0.00 C ATOM 1258 C TYR A 84 -9.501 11.298 -0.137 1.00 0.00 C ATOM 1259 O TYR A 84 -9.413 12.528 -0.201 1.00 0.00 O ATOM 1260 CB TYR A 84 -11.913 10.772 -0.652 1.00 0.00 C ATOM 1261 CG TYR A 84 -12.743 9.539 -0.331 1.00 0.00 C ATOM 1262 CD1 TYR A 84 -12.474 8.795 0.833 1.00 0.00 C ATOM 1263 CD2 TYR A 84 -13.828 9.176 -1.154 1.00 0.00 C ATOM 1264 CE1 TYR A 84 -13.286 7.702 1.186 1.00 0.00 C ATOM 1265 CE2 TYR A 84 -14.651 8.088 -0.808 1.00 0.00 C ATOM 1266 CZ TYR A 84 -14.390 7.358 0.373 1.00 0.00 C ATOM 1267 OH TYR A 84 -15.212 6.335 0.732 1.00 0.00 O ATOM 0 H TYR A 84 -9.622 8.661 -0.838 1.00 0.00 H new ATOM 0 HA TYR A 84 -10.236 11.089 -2.078 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -11.890 11.395 0.242 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -12.443 11.335 -1.420 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -11.637 9.065 1.460 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -14.029 9.736 -2.055 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -13.067 7.128 2.074 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -15.480 7.812 -1.443 1.00 0.00 H new ATOM 0 HH TYR A 84 -15.920 6.234 0.062 1.00 0.00 H new ATOM 1277 N GLN A 85 -8.854 10.613 0.818 1.00 0.00 N ATOM 1278 CA GLN A 85 -8.501 11.235 2.109 1.00 0.00 C ATOM 1279 C GLN A 85 -7.127 10.852 2.705 1.00 0.00 C ATOM 1280 O GLN A 85 -6.663 9.725 2.492 1.00 0.00 O ATOM 1281 CB GLN A 85 -9.628 10.912 3.099 1.00 0.00 C ATOM 1282 CG GLN A 85 -9.723 9.424 3.493 1.00 0.00 C ATOM 1283 CD GLN A 85 -10.975 9.111 4.306 1.00 0.00 C ATOM 1284 OE1 GLN A 85 -11.957 9.840 4.316 1.00 0.00 O ATOM 1285 NE2 GLN A 85 -10.976 8.051 5.074 1.00 0.00 N ATOM 0 H GLN A 85 -8.566 9.639 0.726 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.398 12.303 1.920 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.483 11.506 4.002 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -10.578 11.221 2.663 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.718 8.812 2.591 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.841 9.148 4.071 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.169 7.427 5.084 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.784 7.849 5.663 1.00 0.00 H new ATOM 1294 N PRO A 86 -6.507 11.748 3.513 1.00 0.00 N ATOM 1295 CA PRO A 86 -5.314 11.436 4.299 1.00 0.00 C ATOM 1296 C PRO A 86 -5.649 10.704 5.609 1.00 0.00 C ATOM 1297 O PRO A 86 -5.049 9.667 5.881 1.00 0.00 O ATOM 1298 CB PRO A 86 -4.624 12.784 4.540 1.00 0.00 C ATOM 1299 CG PRO A 86 -5.770 13.794 4.547 1.00 0.00 C ATOM 1300 CD PRO A 86 -6.804 13.177 3.601 1.00 0.00 C ATOM 0 HA PRO A 86 -4.659 10.744 3.770 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.081 12.791 5.485 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.901 13.007 3.756 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.176 13.932 5.549 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.443 14.773 4.198 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.814 13.338 3.977 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -6.752 13.643 2.617 1.00 0.00 H new ATOM 1308 N ARG A 87 -6.604 11.230 6.400 1.00 0.00 N ATOM 1309 CA ARG A 87 -7.136 10.670 7.655 1.00 0.00 C ATOM 1310 C ARG A 87 -6.035 10.632 8.765 1.00 0.00 C ATOM 1311 O ARG A 87 -5.236 9.691 8.804 1.00 0.00 O ATOM 1312 CB ARG A 87 -7.854 9.343 7.318 1.00 0.00 C ATOM 1313 CG ARG A 87 -8.981 8.895 8.262 1.00 0.00 C ATOM 1314 CD ARG A 87 -10.041 9.951 8.641 1.00 0.00 C ATOM 1315 NE ARG A 87 -10.733 10.507 7.456 1.00 0.00 N ATOM 1316 CZ ARG A 87 -10.777 11.767 7.023 1.00 0.00 C ATOM 1317 NH1 ARG A 87 -10.197 12.770 7.648 1.00 0.00 N ATOM 1318 NH2 ARG A 87 -11.431 12.050 5.922 1.00 0.00 N ATOM 0 H ARG A 87 -7.053 12.115 6.163 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.896 11.306 8.110 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.269 9.429 6.314 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.105 8.552 7.287 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -9.494 8.051 7.800 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.526 8.527 9.182 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.775 9.501 9.309 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.562 10.761 9.192 1.00 0.00 H new ATOM 0 HE ARG A 87 -11.248 9.831 6.892 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.680 12.603 8.511 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.264 13.715 7.269 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.902 11.308 5.403 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.469 13.012 5.584 1.00 0.00 H new ATOM 1332 N PRO A 88 -5.974 11.645 9.667 1.00 0.00 N ATOM 1333 CA PRO A 88 -4.857 11.864 10.597 1.00 0.00 C ATOM 1334 C PRO A 88 -4.696 10.787 11.678 1.00 0.00 C ATOM 1335 O PRO A 88 -5.600 10.544 12.473 1.00 0.00 O ATOM 1336 CB PRO A 88 -5.072 13.258 11.200 1.00 0.00 C ATOM 1337 CG PRO A 88 -6.583 13.441 11.128 1.00 0.00 C ATOM 1338 CD PRO A 88 -6.949 12.719 9.833 1.00 0.00 C ATOM 0 HA PRO A 88 -3.918 11.796 10.048 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.708 13.313 12.226 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.546 14.027 10.634 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -7.085 13.004 11.991 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.862 14.494 11.097 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.962 12.319 9.885 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.920 13.404 8.985 1.00 0.00 H new ATOM 1346 N VAL A 89 -3.494 10.203 11.726 1.00 0.00 N ATOM 1347 CA VAL A 89 -3.115 9.006 12.514 1.00 0.00 C ATOM 1348 C VAL A 89 -3.531 9.078 13.986 1.00 0.00 C ATOM 1349 O VAL A 89 -4.124 8.130 14.493 1.00 0.00 O ATOM 1350 CB VAL A 89 -1.585 8.770 12.380 1.00 0.00 C ATOM 1351 CG1 VAL A 89 -0.977 7.861 13.458 1.00 0.00 C ATOM 1352 CG2 VAL A 89 -1.257 8.216 10.982 1.00 0.00 C ATOM 0 H VAL A 89 -2.708 10.568 11.188 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.665 8.161 12.101 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.126 9.748 12.527 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.094 7.755 13.283 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.142 8.302 14.441 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.451 6.880 13.416 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.182 8.054 10.898 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.779 7.271 10.833 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.577 8.930 10.223 1.00 0.00 H new ATOM 1362 N GLU A 90 -3.260 10.194 14.674 1.00 0.00 N ATOM 1363 CA GLU A 90 -3.507 10.313 16.122 1.00 0.00 C ATOM 1364 C GLU A 90 -4.998 10.218 16.479 1.00 0.00 C ATOM 1365 O GLU A 90 -5.358 9.604 17.485 1.00 0.00 O ATOM 1366 CB GLU A 90 -2.866 11.601 16.672 1.00 0.00 C ATOM 1367 CG GLU A 90 -3.435 12.919 16.120 1.00 0.00 C ATOM 1368 CD GLU A 90 -2.655 14.122 16.670 1.00 0.00 C ATOM 1369 OE1 GLU A 90 -3.013 14.643 17.753 1.00 0.00 O ATOM 1370 OE2 GLU A 90 -1.676 14.557 16.016 1.00 0.00 O ATOM 0 H GLU A 90 -2.867 11.034 14.250 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.031 9.460 16.605 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.976 11.605 17.756 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.797 11.572 16.461 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.385 12.914 15.031 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.487 13.008 16.390 1.00 0.00 H new ATOM 1377 N VAL A 91 -5.877 10.737 15.615 1.00 0.00 N ATOM 1378 CA VAL A 91 -7.341 10.654 15.797 1.00 0.00 C ATOM 1379 C VAL A 91 -7.815 9.206 15.627 1.00 0.00 C ATOM 1380 O VAL A 91 -8.701 8.763 16.354 1.00 0.00 O ATOM 1381 CB VAL A 91 -8.098 11.601 14.832 1.00 0.00 C ATOM 1382 CG1 VAL A 91 -9.627 11.527 15.006 1.00 0.00 C ATOM 1383 CG2 VAL A 91 -7.656 13.062 15.024 1.00 0.00 C ATOM 0 H VAL A 91 -5.599 11.229 14.766 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.570 10.982 16.811 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.845 11.262 13.827 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.106 12.211 14.305 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.967 10.510 14.811 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.891 11.808 16.025 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.205 13.702 14.333 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.862 13.373 16.048 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.587 13.148 14.827 1.00 0.00 H new ATOM 1393 N ILE A 92 -7.209 8.442 14.708 1.00 0.00 N ATOM 1394 CA ILE A 92 -7.628 7.054 14.427 1.00 0.00 C ATOM 1395 C ILE A 92 -7.121 6.113 15.523 1.00 0.00 C ATOM 1396 O ILE A 92 -7.873 5.265 15.994 1.00 0.00 O ATOM 1397 CB ILE A 92 -7.204 6.603 13.006 1.00 0.00 C ATOM 1398 CG1 ILE A 92 -7.377 7.675 11.900 1.00 0.00 C ATOM 1399 CG2 ILE A 92 -7.987 5.338 12.620 1.00 0.00 C ATOM 1400 CD1 ILE A 92 -8.673 8.506 11.895 1.00 0.00 C ATOM 0 H ILE A 92 -6.423 8.760 14.142 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.717 7.012 14.440 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.132 6.412 13.063 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.537 8.366 11.971 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.297 7.175 10.935 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.691 5.018 11.621 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.770 4.544 13.335 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.055 5.554 12.630 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.649 9.212 11.065 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.530 7.842 11.782 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.758 9.052 12.834 1.00 0.00 H new ATOM 1412 N ILE A 93 -5.900 6.334 16.022 1.00 0.00 N ATOM 1413 CA ILE A 93 -5.373 5.618 17.199 1.00 0.00 C ATOM 1414 C ILE A 93 -6.195 5.943 18.450 1.00 0.00 C ATOM 1415 O ILE A 93 -6.506 5.046 19.225 1.00 0.00 O ATOM 1416 CB ILE A 93 -3.868 5.940 17.380 1.00 0.00 C ATOM 1417 CG1 ILE A 93 -3.060 5.317 16.218 1.00 0.00 C ATOM 1418 CG2 ILE A 93 -3.334 5.451 18.742 1.00 0.00 C ATOM 1419 CD1 ILE A 93 -1.590 5.745 16.207 1.00 0.00 C ATOM 0 H ILE A 93 -5.248 7.011 15.626 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.465 4.544 17.038 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.748 7.023 17.363 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.115 4.231 16.288 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.521 5.599 15.271 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.276 5.697 18.827 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.886 5.939 19.546 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.463 4.371 18.817 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.080 5.273 15.367 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.527 6.829 16.107 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -1.115 5.439 17.139 1.00 0.00 H new ATOM 1431 N SER A 94 -6.590 7.200 18.645 1.00 0.00 N ATOM 1432 CA SER A 94 -7.429 7.594 19.789 1.00 0.00 C ATOM 1433 C SER A 94 -8.815 6.937 19.706 1.00 0.00 C ATOM 1434 O SER A 94 -9.335 6.422 20.695 1.00 0.00 O ATOM 1435 CB SER A 94 -7.571 9.125 19.861 1.00 0.00 C ATOM 1436 OG SER A 94 -6.311 9.773 19.969 1.00 0.00 O ATOM 0 H SER A 94 -6.344 7.971 18.025 1.00 0.00 H new ATOM 0 HA SER A 94 -6.937 7.247 20.698 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.088 9.483 18.971 1.00 0.00 H new ATOM 0 HB3 SER A 94 -8.190 9.392 20.718 1.00 0.00 H new ATOM 0 HG SER A 94 -5.767 9.563 19.182 1.00 0.00 H new ATOM 1442 N SER A 95 -9.387 6.885 18.502 1.00 0.00 N ATOM 1443 CA SER A 95 -10.654 6.214 18.219 1.00 0.00 C ATOM 1444 C SER A 95 -10.569 4.696 18.432 1.00 0.00 C ATOM 1445 O SER A 95 -11.477 4.114 19.021 1.00 0.00 O ATOM 1446 CB SER A 95 -11.082 6.527 16.781 1.00 0.00 C ATOM 1447 OG SER A 95 -11.382 7.906 16.607 1.00 0.00 O ATOM 0 H SER A 95 -8.971 7.319 17.678 1.00 0.00 H new ATOM 0 HA SER A 95 -11.398 6.591 18.920 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.286 6.239 16.094 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.957 5.930 16.524 1.00 0.00 H new ATOM 0 HG SER A 95 -10.549 8.411 16.497 1.00 0.00 H new ATOM 1453 N ALA A 96 -9.466 4.045 18.047 1.00 0.00 N ATOM 1454 CA ALA A 96 -9.228 2.625 18.320 1.00 0.00 C ATOM 1455 C ALA A 96 -9.142 2.341 19.831 1.00 0.00 C ATOM 1456 O ALA A 96 -9.794 1.424 20.336 1.00 0.00 O ATOM 1457 CB ALA A 96 -7.963 2.219 17.554 1.00 0.00 C ATOM 0 H ALA A 96 -8.708 4.493 17.533 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.066 2.019 17.975 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.752 1.165 17.733 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.115 2.383 16.487 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.121 2.821 17.897 1.00 0.00 H new ATOM 1463 N LYS A 97 -8.432 3.187 20.589 1.00 0.00 N ATOM 1464 CA LYS A 97 -8.380 3.107 22.057 1.00 0.00 C ATOM 1465 C LYS A 97 -9.718 3.470 22.748 1.00 0.00 C ATOM 1466 O LYS A 97 -9.881 3.158 23.927 1.00 0.00 O ATOM 1467 CB LYS A 97 -7.197 3.943 22.577 1.00 0.00 C ATOM 1468 CG LYS A 97 -5.840 3.348 22.152 1.00 0.00 C ATOM 1469 CD LYS A 97 -4.644 4.033 22.833 1.00 0.00 C ATOM 1470 CE LYS A 97 -4.602 5.546 22.556 1.00 0.00 C ATOM 1471 NZ LYS A 97 -3.396 6.182 23.154 1.00 0.00 N ATOM 0 H LYS A 97 -7.875 3.949 20.201 1.00 0.00 H new ATOM 0 HA LYS A 97 -8.216 2.063 22.325 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.280 4.963 22.200 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.243 4.000 23.665 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.826 2.284 22.389 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.734 3.435 21.071 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.696 3.864 23.909 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.719 3.576 22.483 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.609 5.719 21.480 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.499 6.015 22.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.402 7.201 22.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.402 6.038 24.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.540 5.752 22.750 1.00 0.00 H new ATOM 1485 N GLU A 98 -10.682 4.073 22.043 1.00 0.00 N ATOM 1486 CA GLU A 98 -12.063 4.249 22.514 1.00 0.00 C ATOM 1487 C GLU A 98 -12.938 3.035 22.139 1.00 0.00 C ATOM 1488 O GLU A 98 -13.771 2.597 22.935 1.00 0.00 O ATOM 1489 CB GLU A 98 -12.682 5.547 21.966 1.00 0.00 C ATOM 1490 CG GLU A 98 -12.151 6.786 22.695 1.00 0.00 C ATOM 1491 CD GLU A 98 -12.856 8.059 22.203 1.00 0.00 C ATOM 1492 OE1 GLU A 98 -12.466 8.607 21.143 1.00 0.00 O ATOM 1493 OE2 GLU A 98 -13.804 8.527 22.878 1.00 0.00 O ATOM 0 H GLU A 98 -10.523 4.460 21.113 1.00 0.00 H new ATOM 0 HA GLU A 98 -12.028 4.324 23.601 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -12.465 5.631 20.901 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.766 5.503 22.067 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -12.303 6.674 23.768 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.077 6.875 22.533 1.00 0.00 H new ATOM 1500 N MET A 99 -12.717 2.458 20.951 1.00 0.00 N ATOM 1501 CA MET A 99 -13.380 1.238 20.451 1.00 0.00 C ATOM 1502 C MET A 99 -12.965 -0.036 21.196 1.00 0.00 C ATOM 1503 O MET A 99 -13.742 -0.982 21.231 1.00 0.00 O ATOM 1504 CB MET A 99 -13.103 1.083 18.945 1.00 0.00 C ATOM 1505 CG MET A 99 -13.951 2.054 18.109 1.00 0.00 C ATOM 1506 SD MET A 99 -15.699 1.598 17.917 1.00 0.00 S ATOM 1507 CE MET A 99 -15.559 0.173 16.802 1.00 0.00 C ATOM 0 H MET A 99 -12.047 2.839 20.283 1.00 0.00 H new ATOM 0 HA MET A 99 -14.447 1.363 20.633 1.00 0.00 H new ATOM 0 HB2 MET A 99 -12.046 1.262 18.749 1.00 0.00 H new ATOM 0 HB3 MET A 99 -13.315 0.058 18.639 1.00 0.00 H new ATOM 0 HG2 MET A 99 -13.899 3.042 18.567 1.00 0.00 H new ATOM 0 HG3 MET A 99 -13.505 2.139 17.118 1.00 0.00 H new ATOM 0 HE1 MET A 99 -16.046 0.403 15.854 1.00 0.00 H new ATOM 0 HE2 MET A 99 -14.507 -0.048 16.625 1.00 0.00 H new ATOM 0 HE3 MET A 99 -16.041 -0.693 17.256 1.00 0.00 H new ATOM 1517 N VAL A 100 -11.777 -0.094 21.801 1.00 0.00 N ATOM 1518 CA VAL A 100 -11.342 -1.238 22.628 1.00 0.00 C ATOM 1519 C VAL A 100 -12.430 -1.674 23.627 1.00 0.00 C ATOM 1520 O VAL A 100 -12.953 -0.873 24.400 1.00 0.00 O ATOM 1521 CB VAL A 100 -9.986 -0.971 23.320 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -10.058 -0.034 24.532 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -9.315 -2.290 23.726 1.00 0.00 C ATOM 0 H VAL A 100 -11.082 0.650 21.735 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.186 -2.077 21.950 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.386 -0.452 22.572 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -9.061 0.095 24.952 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.448 0.935 24.220 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.717 -0.465 25.286 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.362 -2.079 24.211 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.962 -2.830 24.417 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -9.143 -2.899 22.839 1.00 0.00 H new ATOM 1533 N GLY A 101 -12.800 -2.957 23.561 1.00 0.00 N ATOM 1534 CA GLY A 101 -13.866 -3.561 24.373 1.00 0.00 C ATOM 1535 C GLY A 101 -15.279 -3.491 23.769 1.00 0.00 C ATOM 1536 O GLY A 101 -16.215 -3.967 24.415 1.00 0.00 O ATOM 0 H GLY A 101 -12.357 -3.622 22.927 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.616 -4.607 24.549 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.881 -3.069 25.346 1.00 0.00 H new ATOM 1540 N GLN A 102 -15.462 -2.932 22.563 1.00 0.00 N ATOM 1541 CA GLN A 102 -16.736 -2.959 21.840 1.00 0.00 C ATOM 1542 C GLN A 102 -17.170 -4.392 21.527 1.00 0.00 C ATOM 1543 O GLN A 102 -16.350 -5.259 21.227 1.00 0.00 O ATOM 1544 CB GLN A 102 -16.658 -2.173 20.509 1.00 0.00 C ATOM 1545 CG GLN A 102 -17.480 -0.877 20.526 1.00 0.00 C ATOM 1546 CD GLN A 102 -18.976 -1.188 20.529 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -19.660 -1.082 21.539 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -19.514 -1.670 19.426 1.00 0.00 N ATOM 0 H GLN A 102 -14.720 -2.445 22.060 1.00 0.00 H new ATOM 0 HA GLN A 102 -17.467 -2.487 22.496 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -15.616 -1.933 20.296 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -17.010 -2.809 19.697 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -17.224 -0.289 21.407 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -17.231 -0.271 19.655 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -18.950 -1.761 18.581 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -20.494 -1.952 19.418 1.00 0.00 H new ATOM 1557 N LYS A 103 -18.485 -4.591 21.512 1.00 0.00 N ATOM 1558 CA LYS A 103 -19.148 -5.810 21.037 1.00 0.00 C ATOM 1559 C LYS A 103 -20.176 -5.496 19.933 1.00 0.00 C ATOM 1560 O LYS A 103 -20.893 -4.493 20.019 1.00 0.00 O ATOM 1561 CB LYS A 103 -19.815 -6.544 22.215 1.00 0.00 C ATOM 1562 CG LYS A 103 -18.786 -7.108 23.207 1.00 0.00 C ATOM 1563 CD LYS A 103 -19.490 -7.846 24.354 1.00 0.00 C ATOM 1564 CE LYS A 103 -18.449 -8.415 25.327 1.00 0.00 C ATOM 1565 NZ LYS A 103 -19.083 -9.096 26.488 1.00 0.00 N ATOM 0 H LYS A 103 -19.145 -3.886 21.841 1.00 0.00 H new ATOM 0 HA LYS A 103 -18.391 -6.462 20.602 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -20.482 -5.858 22.737 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -20.431 -7.358 21.832 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -18.110 -7.789 22.690 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -18.177 -6.298 23.608 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -20.158 -7.164 24.881 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -20.106 -8.652 23.955 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -17.807 -9.121 24.799 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -17.809 -7.609 25.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -18.344 -9.465 27.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -19.675 -8.417 27.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -19.674 -9.882 26.149 1.00 0.00 H new ATOM 1579 N MET A 104 -20.258 -6.338 18.892 1.00 0.00 N ATOM 1580 CA MET A 104 -21.137 -6.128 17.719 1.00 0.00 C ATOM 1581 C MET A 104 -21.752 -7.428 17.195 1.00 0.00 C ATOM 1582 O MET A 104 -21.123 -8.482 17.241 1.00 0.00 O ATOM 1583 CB MET A 104 -20.364 -5.435 16.580 1.00 0.00 C ATOM 1584 CG MET A 104 -19.881 -4.034 16.976 1.00 0.00 C ATOM 1585 SD MET A 104 -19.444 -2.952 15.589 1.00 0.00 S ATOM 1586 CE MET A 104 -18.032 -3.859 14.920 1.00 0.00 C ATOM 0 H MET A 104 -19.711 -7.197 18.835 1.00 0.00 H new ATOM 0 HA MET A 104 -21.953 -5.491 18.059 1.00 0.00 H new ATOM 0 HB2 MET A 104 -19.507 -6.047 16.300 1.00 0.00 H new ATOM 0 HB3 MET A 104 -21.004 -5.362 15.701 1.00 0.00 H new ATOM 0 HG2 MET A 104 -20.662 -3.550 17.563 1.00 0.00 H new ATOM 0 HG3 MET A 104 -19.011 -4.136 17.625 1.00 0.00 H new ATOM 0 HE1 MET A 104 -17.647 -3.338 14.043 1.00 0.00 H new ATOM 0 HE2 MET A 104 -17.249 -3.923 15.676 1.00 0.00 H new ATOM 0 HE3 MET A 104 -18.346 -4.864 14.637 1.00 0.00 H new ATOM 1596 N LYS A 105 -22.965 -7.356 16.642 1.00 0.00 N ATOM 1597 CA LYS A 105 -23.696 -8.511 16.083 1.00 0.00 C ATOM 1598 C LYS A 105 -24.588 -8.117 14.880 1.00 0.00 C ATOM 1599 O LYS A 105 -25.573 -8.782 14.559 1.00 0.00 O ATOM 1600 CB LYS A 105 -24.480 -9.173 17.238 1.00 0.00 C ATOM 1601 CG LYS A 105 -24.590 -10.695 17.059 1.00 0.00 C ATOM 1602 CD LYS A 105 -25.381 -11.330 18.211 1.00 0.00 C ATOM 1603 CE LYS A 105 -25.154 -12.847 18.217 1.00 0.00 C ATOM 1604 NZ LYS A 105 -25.845 -13.511 19.353 1.00 0.00 N ATOM 0 H LYS A 105 -23.482 -6.480 16.566 1.00 0.00 H new ATOM 0 HA LYS A 105 -22.995 -9.235 15.667 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -23.986 -8.954 18.184 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -25.479 -8.741 17.293 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -25.079 -10.919 16.111 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -23.593 -11.132 17.014 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -25.065 -10.901 19.162 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -26.443 -11.112 18.100 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -25.511 -13.270 17.278 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -24.085 -13.053 18.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -25.665 -14.535 19.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -25.486 -13.126 20.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -26.868 -13.337 19.286 1.00 0.00 H new ATOM 1618 N TYR A 106 -24.251 -7.000 14.224 1.00 0.00 N ATOM 1619 CA TYR A 106 -25.090 -6.341 13.206 1.00 0.00 C ATOM 1620 C TYR A 106 -25.017 -6.967 11.802 1.00 0.00 C ATOM 1621 O TYR A 106 -25.912 -6.745 10.986 1.00 0.00 O ATOM 1622 CB TYR A 106 -24.699 -4.856 13.155 1.00 0.00 C ATOM 1623 CG TYR A 106 -24.702 -4.150 14.504 1.00 0.00 C ATOM 1624 CD1 TYR A 106 -25.886 -4.093 15.265 1.00 0.00 C ATOM 1625 CD2 TYR A 106 -23.521 -3.569 15.008 1.00 0.00 C ATOM 1626 CE1 TYR A 106 -25.890 -3.461 16.523 1.00 0.00 C ATOM 1627 CE2 TYR A 106 -23.521 -2.933 16.264 1.00 0.00 C ATOM 1628 CZ TYR A 106 -24.708 -2.876 17.029 1.00 0.00 C ATOM 1629 OH TYR A 106 -24.718 -2.265 18.246 1.00 0.00 O ATOM 0 H TYR A 106 -23.368 -6.515 14.387 1.00 0.00 H new ATOM 0 HA TYR A 106 -26.128 -6.476 13.510 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -23.704 -4.771 12.718 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -25.386 -4.336 12.487 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -26.794 -4.536 14.882 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -22.611 -3.612 14.428 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -26.800 -3.423 17.103 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -22.613 -2.488 16.643 1.00 0.00 H new ATOM 0 HH TYR A 106 -23.824 -1.917 18.445 1.00 0.00 H new ATOM 1639 N SER A 107 -23.973 -7.750 11.509 1.00 0.00 N ATOM 1640 CA SER A 107 -23.763 -8.396 10.201 1.00 0.00 C ATOM 1641 C SER A 107 -22.751 -9.560 10.260 1.00 0.00 C ATOM 1642 O SER A 107 -22.136 -9.821 11.299 1.00 0.00 O ATOM 1643 CB SER A 107 -23.342 -7.344 9.157 1.00 0.00 C ATOM 1644 OG SER A 107 -23.550 -7.838 7.840 1.00 0.00 O ATOM 0 H SER A 107 -23.236 -7.958 12.183 1.00 0.00 H new ATOM 0 HA SER A 107 -24.713 -8.839 9.901 1.00 0.00 H new ATOM 0 HB2 SER A 107 -23.915 -6.429 9.303 1.00 0.00 H new ATOM 0 HB3 SER A 107 -22.291 -7.087 9.294 1.00 0.00 H new ATOM 0 HG SER A 107 -23.279 -7.157 7.189 1.00 0.00 H new ATOM 1650 N ILE A 108 -22.577 -10.252 9.126 1.00 0.00 N ATOM 1651 CA ILE A 108 -21.660 -11.394 8.930 1.00 0.00 C ATOM 1652 C ILE A 108 -20.204 -10.929 9.106 1.00 0.00 C ATOM 1653 O ILE A 108 -19.881 -9.793 8.767 1.00 0.00 O ATOM 1654 CB ILE A 108 -21.925 -12.030 7.532 1.00 0.00 C ATOM 1655 CG1 ILE A 108 -23.372 -12.580 7.462 1.00 0.00 C ATOM 1656 CG2 ILE A 108 -20.911 -13.145 7.194 1.00 0.00 C ATOM 1657 CD1 ILE A 108 -23.794 -13.108 6.082 1.00 0.00 C ATOM 0 H ILE A 108 -23.094 -10.024 8.277 1.00 0.00 H new ATOM 0 HA ILE A 108 -21.840 -12.164 9.680 1.00 0.00 H new ATOM 0 HB ILE A 108 -21.799 -11.244 6.788 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -23.476 -13.384 8.191 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -24.061 -11.790 7.759 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -21.137 -13.557 6.211 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -19.903 -12.731 7.191 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -20.976 -13.935 7.942 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -24.820 -13.472 6.130 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -23.728 -12.304 5.349 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -23.134 -13.923 5.787 1.00 0.00 H new ATOM 1669 N VAL A 109 -19.318 -11.796 9.618 1.00 0.00 N ATOM 1670 CA VAL A 109 -17.938 -11.459 10.055 1.00 0.00 C ATOM 1671 C VAL A 109 -17.117 -10.614 9.062 1.00 0.00 C ATOM 1672 O VAL A 109 -16.337 -9.769 9.492 1.00 0.00 O ATOM 1673 CB VAL A 109 -17.154 -12.731 10.466 1.00 0.00 C ATOM 1674 CG1 VAL A 109 -16.816 -13.657 9.284 1.00 0.00 C ATOM 1675 CG2 VAL A 109 -15.877 -12.399 11.252 1.00 0.00 C ATOM 0 H VAL A 109 -19.540 -12.783 9.747 1.00 0.00 H new ATOM 0 HA VAL A 109 -18.080 -10.815 10.923 1.00 0.00 H new ATOM 0 HB VAL A 109 -17.836 -13.276 11.119 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.267 -14.526 9.648 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.738 -13.985 8.804 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -16.203 -13.117 8.562 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -15.363 -13.323 11.517 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -15.221 -11.782 10.637 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -16.139 -11.856 12.160 1.00 0.00 H new ATOM 1685 N SER A 110 -17.324 -10.782 7.754 1.00 0.00 N ATOM 1686 CA SER A 110 -16.727 -9.954 6.699 1.00 0.00 C ATOM 1687 C SER A 110 -17.105 -8.471 6.863 1.00 0.00 C ATOM 1688 O SER A 110 -16.252 -7.641 7.201 1.00 0.00 O ATOM 1689 CB SER A 110 -17.161 -10.506 5.328 1.00 0.00 C ATOM 1690 OG SER A 110 -18.572 -10.688 5.248 1.00 0.00 O ATOM 0 H SER A 110 -17.928 -11.518 7.387 1.00 0.00 H new ATOM 0 HA SER A 110 -15.641 -10.002 6.774 1.00 0.00 H new ATOM 0 HB2 SER A 110 -16.839 -9.822 4.543 1.00 0.00 H new ATOM 0 HB3 SER A 110 -16.662 -11.458 5.146 1.00 0.00 H new ATOM 0 HG SER A 110 -18.807 -11.038 4.363 1.00 0.00 H new ATOM 1696 N ARG A 111 -18.392 -8.133 6.711 1.00 0.00 N ATOM 1697 CA ARG A 111 -18.871 -6.765 6.929 1.00 0.00 C ATOM 1698 C ARG A 111 -18.718 -6.337 8.381 1.00 0.00 C ATOM 1699 O ARG A 111 -18.440 -5.171 8.613 1.00 0.00 O ATOM 1700 CB ARG A 111 -20.319 -6.585 6.439 1.00 0.00 C ATOM 1701 CG ARG A 111 -20.817 -5.120 6.494 1.00 0.00 C ATOM 1702 CD ARG A 111 -19.979 -4.080 5.729 1.00 0.00 C ATOM 1703 NE ARG A 111 -19.441 -4.579 4.452 1.00 0.00 N ATOM 1704 CZ ARG A 111 -20.038 -4.683 3.276 1.00 0.00 C ATOM 1705 NH1 ARG A 111 -21.299 -4.361 3.074 1.00 0.00 N ATOM 1706 NH2 ARG A 111 -19.311 -5.130 2.279 1.00 0.00 N ATOM 0 H ARG A 111 -19.121 -8.792 6.437 1.00 0.00 H new ATOM 0 HA ARG A 111 -18.240 -6.108 6.330 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -20.394 -6.947 5.413 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -20.978 -7.207 7.045 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -21.835 -5.091 6.105 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -20.867 -4.816 7.539 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -20.594 -3.201 5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -19.152 -3.757 6.361 1.00 0.00 H new ATOM 0 HE ARG A 111 -18.469 -4.889 4.478 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -21.866 -4.011 3.846 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -21.708 -4.461 2.145 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -18.334 -5.378 2.432 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -19.723 -5.229 1.351 1.00 0.00 H new ATOM 1720 N ASN A 112 -18.802 -7.238 9.356 1.00 0.00 N ATOM 1721 CA ASN A 112 -18.560 -6.925 10.772 1.00 0.00 C ATOM 1722 C ASN A 112 -17.152 -6.317 10.976 1.00 0.00 C ATOM 1723 O ASN A 112 -17.004 -5.309 11.662 1.00 0.00 O ATOM 1724 CB ASN A 112 -18.781 -8.211 11.594 1.00 0.00 C ATOM 1725 CG ASN A 112 -19.282 -7.961 13.010 1.00 0.00 C ATOM 1726 OD1 ASN A 112 -18.733 -7.169 13.757 1.00 0.00 O ATOM 1727 ND2 ASN A 112 -20.347 -8.632 13.418 1.00 0.00 N ATOM 0 H ASN A 112 -19.042 -8.215 9.190 1.00 0.00 H new ATOM 0 HA ASN A 112 -19.260 -6.165 11.119 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -19.498 -8.845 11.072 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -17.843 -8.764 11.644 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -20.711 -8.487 14.360 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -20.804 -9.294 12.791 1.00 0.00 H new ATOM 1734 N CYS A 113 -16.137 -6.849 10.275 1.00 0.00 N ATOM 1735 CA CYS A 113 -14.758 -6.340 10.284 1.00 0.00 C ATOM 1736 C CYS A 113 -14.598 -5.018 9.499 1.00 0.00 C ATOM 1737 O CYS A 113 -13.990 -4.070 10.004 1.00 0.00 O ATOM 1738 CB CYS A 113 -13.830 -7.470 9.789 1.00 0.00 C ATOM 1739 SG CYS A 113 -12.311 -7.481 10.781 1.00 0.00 S ATOM 0 H CYS A 113 -16.257 -7.664 9.673 1.00 0.00 H new ATOM 0 HA CYS A 113 -14.474 -6.068 11.301 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.336 -8.432 9.868 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.589 -7.323 8.736 1.00 0.00 H new ATOM 0 HG CYS A 113 -11.847 -8.693 10.850 1.00 0.00 H new ATOM 1745 N GLU A 114 -15.194 -4.907 8.308 1.00 0.00 N ATOM 1746 CA GLU A 114 -15.216 -3.641 7.546 1.00 0.00 C ATOM 1747 C GLU A 114 -15.937 -2.524 8.323 1.00 0.00 C ATOM 1748 O GLU A 114 -15.424 -1.415 8.451 1.00 0.00 O ATOM 1749 CB GLU A 114 -15.880 -3.838 6.172 1.00 0.00 C ATOM 1750 CG GLU A 114 -15.089 -4.762 5.235 1.00 0.00 C ATOM 1751 CD GLU A 114 -15.755 -4.839 3.852 1.00 0.00 C ATOM 1752 OE1 GLU A 114 -16.864 -5.414 3.744 1.00 0.00 O ATOM 1753 OE2 GLU A 114 -15.177 -4.313 2.873 1.00 0.00 O ATOM 0 H GLU A 114 -15.672 -5.679 7.843 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.180 -3.337 7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -16.879 -4.249 6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -16.001 -2.866 5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.068 -4.394 5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -15.026 -5.760 5.669 1.00 0.00 H new ATOM 1760 N HIS A 115 -17.097 -2.822 8.910 1.00 0.00 N ATOM 1761 CA HIS A 115 -17.888 -1.920 9.752 1.00 0.00 C ATOM 1762 C HIS A 115 -17.081 -1.472 10.990 1.00 0.00 C ATOM 1763 O HIS A 115 -17.153 -0.313 11.399 1.00 0.00 O ATOM 1764 CB HIS A 115 -19.183 -2.653 10.146 1.00 0.00 C ATOM 1765 CG HIS A 115 -20.163 -1.855 10.970 1.00 0.00 C ATOM 1766 ND1 HIS A 115 -20.690 -0.620 10.660 1.00 0.00 N ATOM 1767 CD2 HIS A 115 -20.788 -2.280 12.115 1.00 0.00 C ATOM 1768 CE1 HIS A 115 -21.599 -0.309 11.602 1.00 0.00 C ATOM 1769 NE2 HIS A 115 -21.694 -1.290 12.516 1.00 0.00 N ATOM 0 H HIS A 115 -17.531 -3.739 8.808 1.00 0.00 H new ATOM 0 HA HIS A 115 -18.139 -1.012 9.204 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -19.685 -2.980 9.235 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -18.915 -3.551 10.703 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -20.612 -3.218 12.621 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -22.174 0.605 11.621 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -22.302 -1.309 13.335 1.00 0.00 H new ATOM 1777 N PHE A 116 -16.265 -2.376 11.551 1.00 0.00 N ATOM 1778 CA PHE A 116 -15.292 -2.096 12.610 1.00 0.00 C ATOM 1779 C PHE A 116 -14.241 -1.075 12.151 1.00 0.00 C ATOM 1780 O PHE A 116 -14.189 0.007 12.730 1.00 0.00 O ATOM 1781 CB PHE A 116 -14.705 -3.432 13.115 1.00 0.00 C ATOM 1782 CG PHE A 116 -13.308 -3.377 13.697 1.00 0.00 C ATOM 1783 CD1 PHE A 116 -13.104 -2.833 14.977 1.00 0.00 C ATOM 1784 CD2 PHE A 116 -12.208 -3.865 12.961 1.00 0.00 C ATOM 1785 CE1 PHE A 116 -11.809 -2.763 15.517 1.00 0.00 C ATOM 1786 CE2 PHE A 116 -10.913 -3.798 13.506 1.00 0.00 C ATOM 1787 CZ PHE A 116 -10.712 -3.240 14.781 1.00 0.00 C ATOM 0 H PHE A 116 -16.267 -3.356 11.268 1.00 0.00 H new ATOM 0 HA PHE A 116 -15.781 -1.618 13.459 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -15.376 -3.834 13.874 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -14.702 -4.139 12.285 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -13.945 -2.468 15.547 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -12.360 -4.290 11.980 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -11.657 -2.342 16.500 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -10.072 -4.176 12.944 1.00 0.00 H new ATOM 0 HZ PHE A 116 -9.716 -3.178 15.194 1.00 0.00 H new ATOM 1797 N VAL A 117 -13.446 -1.341 11.104 1.00 0.00 N ATOM 1798 CA VAL A 117 -12.399 -0.363 10.694 1.00 0.00 C ATOM 1799 C VAL A 117 -12.979 0.958 10.170 1.00 0.00 C ATOM 1800 O VAL A 117 -12.370 2.019 10.350 1.00 0.00 O ATOM 1801 CB VAL A 117 -11.362 -0.889 9.681 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -10.393 -1.855 10.363 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -11.980 -1.519 8.424 1.00 0.00 C ATOM 0 H VAL A 117 -13.494 -2.188 10.538 1.00 0.00 H new ATOM 0 HA VAL A 117 -11.870 -0.186 11.631 1.00 0.00 H new ATOM 0 HB VAL A 117 -10.813 -0.016 9.327 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -9.668 -2.217 9.635 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -9.871 -1.339 11.169 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.948 -2.699 10.772 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -11.186 -1.864 7.762 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -12.606 -2.364 8.711 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -12.587 -0.777 7.906 1.00 0.00 H new ATOM 1813 N THR A 118 -14.176 0.916 9.563 1.00 0.00 N ATOM 1814 CA THR A 118 -14.921 2.135 9.217 1.00 0.00 C ATOM 1815 C THR A 118 -15.176 2.901 10.499 1.00 0.00 C ATOM 1816 O THR A 118 -14.663 3.999 10.586 1.00 0.00 O ATOM 1817 CB THR A 118 -16.204 1.884 8.412 1.00 0.00 C ATOM 1818 OG1 THR A 118 -15.953 0.971 7.367 1.00 0.00 O ATOM 1819 CG2 THR A 118 -16.676 3.182 7.749 1.00 0.00 C ATOM 0 H THR A 118 -14.648 0.050 9.302 1.00 0.00 H new ATOM 0 HA THR A 118 -14.313 2.731 8.536 1.00 0.00 H new ATOM 0 HB THR A 118 -16.954 1.498 9.102 1.00 0.00 H new ATOM 0 HG1 THR A 118 -15.992 0.056 7.716 1.00 0.00 H new ATOM 0 HG21 THR A 118 -17.587 2.990 7.181 1.00 0.00 H new ATOM 0 HG22 THR A 118 -16.877 3.930 8.516 1.00 0.00 H new ATOM 0 HG23 THR A 118 -15.901 3.550 7.077 1.00 0.00 H new ATOM 1827 N GLN A 119 -15.808 2.324 11.525 1.00 0.00 N ATOM 1828 CA GLN A 119 -16.034 2.997 12.820 1.00 0.00 C ATOM 1829 C GLN A 119 -14.760 3.529 13.498 1.00 0.00 C ATOM 1830 O GLN A 119 -14.829 4.576 14.142 1.00 0.00 O ATOM 1831 CB GLN A 119 -16.797 2.073 13.776 1.00 0.00 C ATOM 1832 CG GLN A 119 -18.298 2.069 13.458 1.00 0.00 C ATOM 1833 CD GLN A 119 -19.007 0.959 14.222 1.00 0.00 C ATOM 1834 OE1 GLN A 119 -19.720 1.173 15.195 1.00 0.00 O ATOM 1835 NE2 GLN A 119 -18.808 -0.269 13.807 1.00 0.00 N ATOM 0 H GLN A 119 -16.180 1.375 11.487 1.00 0.00 H new ATOM 0 HA GLN A 119 -16.632 3.878 12.588 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -16.403 1.060 13.699 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -16.641 2.399 14.804 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -18.733 3.033 13.721 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -18.448 1.933 12.387 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -18.214 -0.443 12.997 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -19.247 -1.050 14.295 1.00 0.00 H new ATOM 1844 N LEU A 120 -13.599 2.880 13.320 1.00 0.00 N ATOM 1845 CA LEU A 120 -12.317 3.416 13.803 1.00 0.00 C ATOM 1846 C LEU A 120 -11.956 4.758 13.141 1.00 0.00 C ATOM 1847 O LEU A 120 -11.371 5.604 13.816 1.00 0.00 O ATOM 1848 CB LEU A 120 -11.185 2.380 13.625 1.00 0.00 C ATOM 1849 CG LEU A 120 -10.953 1.498 14.866 1.00 0.00 C ATOM 1850 CD1 LEU A 120 -12.133 0.572 15.173 1.00 0.00 C ATOM 1851 CD2 LEU A 120 -9.700 0.636 14.674 1.00 0.00 C ATOM 0 H LEU A 120 -13.522 1.981 12.844 1.00 0.00 H new ATOM 0 HA LEU A 120 -12.434 3.615 14.868 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -11.420 1.740 12.774 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.260 2.904 13.384 1.00 0.00 H new ATOM 0 HG LEU A 120 -10.833 2.182 15.706 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -11.908 -0.023 16.058 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -13.026 1.169 15.355 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -12.306 -0.090 14.325 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.546 0.017 15.557 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -9.828 -0.003 13.801 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -8.834 1.281 14.527 1.00 0.00 H new ATOM 1863 N ARG A 121 -12.315 4.969 11.862 1.00 0.00 N ATOM 1864 CA ARG A 121 -12.099 6.247 11.147 1.00 0.00 C ATOM 1865 C ARG A 121 -13.359 6.981 10.649 1.00 0.00 C ATOM 1866 O ARG A 121 -13.258 7.899 9.836 1.00 0.00 O ATOM 1867 CB ARG A 121 -11.027 6.023 10.073 1.00 0.00 C ATOM 1868 CG ARG A 121 -11.428 5.191 8.848 1.00 0.00 C ATOM 1869 CD ARG A 121 -10.139 4.584 8.274 1.00 0.00 C ATOM 1870 NE ARG A 121 -10.283 4.049 6.915 1.00 0.00 N ATOM 1871 CZ ARG A 121 -10.863 2.923 6.526 1.00 0.00 C ATOM 1872 NH1 ARG A 121 -11.653 2.220 7.309 1.00 0.00 N ATOM 1873 NH2 ARG A 121 -10.606 2.482 5.316 1.00 0.00 N ATOM 0 H ARG A 121 -12.766 4.256 11.289 1.00 0.00 H new ATOM 0 HA ARG A 121 -11.740 6.970 11.880 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -10.689 6.999 9.723 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -10.171 5.540 10.545 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -12.132 4.407 9.128 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -11.925 5.814 8.105 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -9.360 5.347 8.272 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -9.801 3.785 8.934 1.00 0.00 H new ATOM 0 HE ARG A 121 -9.883 4.620 6.171 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -11.841 2.536 8.260 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -12.077 1.359 6.965 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -9.976 3.003 4.706 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -11.036 1.618 4.986 1.00 0.00 H new ATOM 1887 N TYR A 122 -14.544 6.630 11.147 1.00 0.00 N ATOM 1888 CA TYR A 122 -15.856 7.103 10.661 1.00 0.00 C ATOM 1889 C TYR A 122 -16.139 8.575 11.036 1.00 0.00 C ATOM 1890 O TYR A 122 -16.993 9.222 10.432 1.00 0.00 O ATOM 1891 CB TYR A 122 -16.940 6.178 11.246 1.00 0.00 C ATOM 1892 CG TYR A 122 -18.393 6.369 10.839 1.00 0.00 C ATOM 1893 CD1 TYR A 122 -18.753 6.839 9.558 1.00 0.00 C ATOM 1894 CD2 TYR A 122 -19.404 5.960 11.734 1.00 0.00 C ATOM 1895 CE1 TYR A 122 -20.109 6.957 9.198 1.00 0.00 C ATOM 1896 CE2 TYR A 122 -20.762 6.075 11.381 1.00 0.00 C ATOM 1897 CZ TYR A 122 -21.118 6.580 10.112 1.00 0.00 C ATOM 1898 OH TYR A 122 -22.430 6.693 9.767 1.00 0.00 O ATOM 0 H TYR A 122 -14.628 5.983 11.931 1.00 0.00 H new ATOM 0 HA TYR A 122 -15.858 7.066 9.572 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -16.664 5.154 10.996 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -16.892 6.265 12.331 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -17.984 7.110 8.850 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -19.134 5.555 12.698 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -20.378 7.336 8.223 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -21.530 5.777 12.080 1.00 0.00 H new ATOM 0 HH TYR A 122 -22.991 6.389 10.511 1.00 0.00 H new ATOM 1908 N GLY A 123 -15.420 9.111 12.036 1.00 0.00 N ATOM 1909 CA GLY A 123 -15.686 10.435 12.618 1.00 0.00 C ATOM 1910 C GLY A 123 -15.364 11.595 11.673 1.00 0.00 C ATOM 1911 O GLY A 123 -16.067 12.605 11.692 1.00 0.00 O ATOM 0 H GLY A 123 -14.630 8.631 12.467 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -16.736 10.492 12.905 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -15.099 10.546 13.530 1.00 0.00 H new ATOM 1915 N LYS A 124 -14.331 11.444 10.833 1.00 0.00 N ATOM 1916 CA LYS A 124 -13.923 12.449 9.836 1.00 0.00 C ATOM 1917 C LYS A 124 -14.093 11.990 8.368 1.00 0.00 C ATOM 1918 O LYS A 124 -14.061 12.834 7.470 1.00 0.00 O ATOM 1919 CB LYS A 124 -12.460 12.858 10.130 1.00 0.00 C ATOM 1920 CG LYS A 124 -12.205 13.467 11.523 1.00 0.00 C ATOM 1921 CD LYS A 124 -13.017 14.747 11.786 1.00 0.00 C ATOM 1922 CE LYS A 124 -12.702 15.383 13.149 1.00 0.00 C ATOM 1923 NZ LYS A 124 -11.388 16.090 13.168 1.00 0.00 N ATOM 0 H LYS A 124 -13.745 10.609 10.825 1.00 0.00 H new ATOM 0 HA LYS A 124 -14.592 13.304 9.934 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.826 11.979 10.016 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -12.144 13.578 9.375 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -12.449 12.727 12.285 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -11.143 13.691 11.625 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -12.812 15.470 10.997 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -14.081 14.514 11.736 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -13.492 16.088 13.407 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -12.703 14.608 13.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -11.228 16.499 14.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -10.627 15.415 12.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -11.392 16.849 12.457 1.00 0.00 H new ATOM 1937 N SER A 125 -14.261 10.680 8.114 1.00 0.00 N ATOM 1938 CA SER A 125 -14.444 10.093 6.765 1.00 0.00 C ATOM 1939 C SER A 125 -15.837 10.362 6.180 1.00 0.00 C ATOM 1940 O SER A 125 -15.913 10.944 5.072 1.00 0.00 O ATOM 1941 CB SER A 125 -14.165 8.593 6.766 1.00 0.00 C ATOM 1942 OG SER A 125 -12.857 8.370 7.265 1.00 0.00 O ATOM 1943 OXT SER A 125 -16.851 9.999 6.819 1.00 0.00 O ATOM 0 H SER A 125 -14.274 9.980 8.855 1.00 0.00 H new ATOM 0 HA SER A 125 -13.716 10.591 6.124 1.00 0.00 H new ATOM 0 HB2 SER A 125 -14.898 8.074 7.384 1.00 0.00 H new ATOM 0 HB3 SER A 125 -14.257 8.192 5.757 1.00 0.00 H new ATOM 0 HG SER A 125 -12.840 8.549 8.228 1.00 0.00 H new