USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 649 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 62 CYS SG : rot 98:sc= 1.27 USER MOD Set 1.2: A 64 TYR OH : rot 180:sc= -0.0784 USER MOD Single : A 14 SER OG : rot 79:sc= 1.2 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 1.2 K(o=1.2,f=-1.2) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.537 USER MOD Single : A 31 GLN : amide:sc= -0.0589 X(o=-0.059,f=-0.12) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -107:sc= 1.2 USER MOD Single : A 44 SER OG : rot 61:sc= -0.724 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 95:sc= 1.25 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0.388 K(o=0.39,f=-1.1) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 69 THR OG1 : rot 78:sc= 1.04 USER MOD Single : A 72 SER OG : rot 79:sc= 1.09 USER MOD Single : A 74 MET CE :methyl 161:sc= -0.0609 (180deg=-0.424) USER MOD Single : A 76 ASN : amide:sc= -0.0313 K(o=-0.031,f=-1.5!) USER MOD Single : A 78 ASN : amide:sc= -0.59 K(o=-0.59,f=-4.6!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 1.13 K(o=1.1,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 9 10.846 4.245 -10.281 1.00 0.00 N ATOM 121 CA PRO A 9 9.946 5.300 -10.730 1.00 0.00 C ATOM 122 C PRO A 9 8.590 4.734 -11.132 1.00 0.00 C ATOM 123 O PRO A 9 7.551 5.340 -10.871 1.00 0.00 O ATOM 124 CB PRO A 9 10.686 5.898 -11.930 1.00 0.00 C ATOM 125 CG PRO A 9 12.126 5.663 -11.625 1.00 0.00 C ATOM 126 CD PRO A 9 12.156 4.301 -10.985 1.00 0.00 C ATOM 0 HA PRO A 9 9.726 6.037 -9.957 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.392 5.414 -12.861 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.471 6.961 -12.042 1.00 0.00 H new ATOM 0 HG2 PRO A 9 12.733 5.690 -12.530 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.520 6.426 -10.954 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.253 3.507 -11.726 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.992 4.196 -10.294 1.00 0.00 H new ATOM 134 N ALA A 10 8.607 3.568 -11.769 1.00 0.00 N ATOM 135 CA ALA A 10 7.388 2.965 -12.295 1.00 0.00 C ATOM 136 C ALA A 10 6.410 2.632 -11.176 1.00 0.00 C ATOM 137 O ALA A 10 5.216 2.915 -11.278 1.00 0.00 O ATOM 138 CB ALA A 10 7.720 1.714 -13.097 1.00 0.00 C ATOM 0 H ALA A 10 9.452 3.021 -11.934 1.00 0.00 H new ATOM 0 HA ALA A 10 6.911 3.691 -12.954 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.800 1.275 -13.483 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.373 1.978 -13.929 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.224 0.993 -12.454 1.00 0.00 H new ATOM 144 N VAL A 11 6.923 2.031 -10.108 1.00 0.00 N ATOM 145 CA VAL A 11 6.097 1.670 -8.962 1.00 0.00 C ATOM 146 C VAL A 11 5.669 2.906 -8.180 1.00 0.00 C ATOM 147 O VAL A 11 4.518 3.019 -7.760 1.00 0.00 O ATOM 148 CB VAL A 11 6.866 0.716 -8.029 1.00 0.00 C ATOM 149 CG1 VAL A 11 6.073 0.464 -6.755 1.00 0.00 C ATOM 150 CG2 VAL A 11 7.157 -0.591 -8.750 1.00 0.00 C ATOM 0 H VAL A 11 7.908 1.783 -10.012 1.00 0.00 H new ATOM 0 HA VAL A 11 5.205 1.171 -9.340 1.00 0.00 H new ATOM 0 HB VAL A 11 7.813 1.179 -7.752 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.631 -0.212 -6.107 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.907 1.409 -6.237 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.112 0.015 -7.007 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.701 -1.261 -8.084 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.219 -1.059 -9.048 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.760 -0.391 -9.636 1.00 0.00 H new ATOM 160 N ASP A 12 6.604 3.830 -7.987 1.00 0.00 N ATOM 161 CA ASP A 12 6.330 5.052 -7.241 1.00 0.00 C ATOM 162 C ASP A 12 5.189 5.839 -7.872 1.00 0.00 C ATOM 163 O ASP A 12 4.279 6.296 -7.180 1.00 0.00 O ATOM 164 CB ASP A 12 7.583 5.929 -7.168 1.00 0.00 C ATOM 165 CG ASP A 12 7.438 7.089 -6.192 1.00 0.00 C ATOM 166 OD1 ASP A 12 7.450 6.849 -5.008 1.00 0.00 O ATOM 167 OD2 ASP A 12 7.317 8.204 -6.640 1.00 0.00 O ATOM 0 H ASP A 12 7.559 3.755 -8.337 1.00 0.00 H new ATOM 0 HA ASP A 12 6.035 4.763 -6.232 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.433 5.315 -6.871 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.804 6.321 -8.161 1.00 0.00 H new ATOM 172 N ARG A 13 5.242 5.994 -9.191 1.00 0.00 N ATOM 173 CA ARG A 13 4.195 6.698 -9.922 1.00 0.00 C ATOM 174 C ARG A 13 2.881 5.928 -9.880 1.00 0.00 C ATOM 175 O ARG A 13 1.808 6.519 -9.762 1.00 0.00 O ATOM 176 CB ARG A 13 4.607 6.913 -11.371 1.00 0.00 C ATOM 177 CG ARG A 13 5.743 7.904 -11.573 1.00 0.00 C ATOM 178 CD ARG A 13 5.955 8.211 -13.010 1.00 0.00 C ATOM 179 NE ARG A 13 4.921 9.088 -13.536 1.00 0.00 N ATOM 180 CZ ARG A 13 4.629 9.227 -14.844 1.00 0.00 C ATOM 181 NH1 ARG A 13 5.299 8.542 -15.744 1.00 0.00 N ATOM 182 NH2 ARG A 13 3.668 10.052 -15.222 1.00 0.00 N ATOM 0 H ARG A 13 6.000 5.641 -9.776 1.00 0.00 H new ATOM 0 HA ARG A 13 4.051 7.664 -9.439 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.901 5.953 -11.796 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.739 7.258 -11.933 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.523 8.825 -11.033 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.661 7.497 -11.149 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.930 8.680 -13.141 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.969 7.283 -13.581 1.00 0.00 H new ATOM 0 HE ARG A 13 4.379 9.636 -12.868 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.040 7.905 -15.452 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.078 8.648 -16.734 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.148 10.583 -14.524 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.447 10.158 -16.212 1.00 0.00 H new ATOM 196 N SER A 14 2.973 4.606 -9.978 1.00 0.00 N ATOM 197 CA SER A 14 1.792 3.751 -9.935 1.00 0.00 C ATOM 198 C SER A 14 1.069 3.877 -8.600 1.00 0.00 C ATOM 199 O SER A 14 -0.160 3.844 -8.543 1.00 0.00 O ATOM 200 CB SER A 14 2.185 2.306 -10.173 1.00 0.00 C ATOM 201 OG SER A 14 2.676 2.127 -11.473 1.00 0.00 O ATOM 0 H SER A 14 3.854 4.103 -10.088 1.00 0.00 H new ATOM 0 HA SER A 14 1.113 4.076 -10.723 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.944 2.008 -9.450 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.322 1.660 -10.014 1.00 0.00 H new ATOM 0 HG SER A 14 3.604 2.440 -11.518 1.00 0.00 H new ATOM 207 N LEU A 15 1.840 4.022 -7.527 1.00 0.00 N ATOM 208 CA LEU A 15 1.274 4.156 -6.190 1.00 0.00 C ATOM 209 C LEU A 15 0.664 5.537 -5.986 1.00 0.00 C ATOM 210 O LEU A 15 -0.375 5.679 -5.341 1.00 0.00 O ATOM 211 CB LEU A 15 2.353 3.905 -5.130 1.00 0.00 C ATOM 212 CG LEU A 15 2.862 2.461 -5.027 1.00 0.00 C ATOM 213 CD1 LEU A 15 4.047 2.407 -4.073 1.00 0.00 C ATOM 214 CD2 LEU A 15 1.734 1.558 -4.550 1.00 0.00 C ATOM 0 H LEU A 15 2.859 4.050 -7.558 1.00 0.00 H new ATOM 0 HA LEU A 15 0.484 3.412 -6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.202 4.556 -5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.958 4.202 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 15 3.192 2.111 -6.005 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.409 1.381 -4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.845 3.047 -4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.737 2.754 -3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.095 0.532 -4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.390 1.892 -3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.908 1.602 -5.260 1.00 0.00 H new ATOM 226 N ARG A 16 1.317 6.554 -6.540 1.00 0.00 N ATOM 227 CA ARG A 16 0.855 7.929 -6.397 1.00 0.00 C ATOM 228 C ARG A 16 -0.294 8.226 -7.352 1.00 0.00 C ATOM 229 O ARG A 16 -1.082 9.145 -7.125 1.00 0.00 O ATOM 230 CB ARG A 16 1.992 8.906 -6.657 1.00 0.00 C ATOM 231 CG ARG A 16 3.022 9.000 -5.542 1.00 0.00 C ATOM 232 CD ARG A 16 3.979 10.113 -5.771 1.00 0.00 C ATOM 233 NE ARG A 16 5.019 9.747 -6.718 1.00 0.00 N ATOM 234 CZ ARG A 16 5.063 10.155 -8.002 1.00 0.00 C ATOM 235 NH1 ARG A 16 4.120 10.939 -8.475 1.00 0.00 N ATOM 236 NH2 ARG A 16 6.054 9.767 -8.785 1.00 0.00 N ATOM 0 H ARG A 16 2.168 6.451 -7.092 1.00 0.00 H new ATOM 0 HA ARG A 16 0.501 8.050 -5.373 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.499 8.615 -7.577 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.569 9.896 -6.826 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.514 9.147 -4.589 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.568 8.059 -5.471 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.440 10.985 -6.142 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.435 10.400 -4.824 1.00 0.00 H new ATOM 0 HE ARG A 16 5.768 9.139 -6.388 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.355 11.239 -7.870 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.153 11.248 -9.447 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.786 9.159 -8.418 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.087 10.076 -9.757 1.00 0.00 H new ATOM 250 N SER A 17 -0.384 7.444 -8.422 1.00 0.00 N ATOM 251 CA SER A 17 -1.471 7.584 -9.385 1.00 0.00 C ATOM 252 C SER A 17 -2.658 6.709 -9.006 1.00 0.00 C ATOM 253 O SER A 17 -2.490 5.559 -8.598 1.00 0.00 O ATOM 254 CB SER A 17 -0.987 7.222 -10.775 1.00 0.00 C ATOM 255 OG SER A 17 -2.043 7.244 -11.696 1.00 0.00 O ATOM 0 H SER A 17 0.283 6.706 -8.645 1.00 0.00 H new ATOM 0 HA SER A 17 -1.797 8.624 -9.376 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.212 7.922 -11.088 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.534 6.231 -10.760 1.00 0.00 H new ATOM 0 HG SER A 17 -1.706 7.009 -12.586 1.00 0.00 H new ATOM 261 N VAL A 18 -3.860 7.259 -9.142 1.00 0.00 N ATOM 262 CA VAL A 18 -5.082 6.496 -8.919 1.00 0.00 C ATOM 263 C VAL A 18 -5.869 6.323 -10.212 1.00 0.00 C ATOM 264 O VAL A 18 -5.832 7.184 -11.091 1.00 0.00 O ATOM 265 CB VAL A 18 -5.967 7.199 -7.873 1.00 0.00 C ATOM 266 CG1 VAL A 18 -5.244 7.288 -6.537 1.00 0.00 C ATOM 267 CG2 VAL A 18 -6.356 8.583 -8.369 1.00 0.00 C ATOM 0 H VAL A 18 -4.014 8.232 -9.406 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.794 5.511 -8.552 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.875 6.614 -7.727 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.884 7.788 -5.810 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.008 6.284 -6.184 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.322 7.856 -6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.982 9.074 -7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.457 9.176 -8.535 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.909 8.492 -9.304 1.00 0.00 H new ATOM 277 N PHE A 19 -6.580 5.207 -10.321 1.00 0.00 N ATOM 278 CA PHE A 19 -7.394 4.929 -11.498 1.00 0.00 C ATOM 279 C PHE A 19 -8.835 5.378 -11.290 1.00 0.00 C ATOM 280 O PHE A 19 -9.504 4.933 -10.357 1.00 0.00 O ATOM 281 CB PHE A 19 -7.363 3.436 -11.831 1.00 0.00 C ATOM 282 CG PHE A 19 -8.100 3.080 -13.090 1.00 0.00 C ATOM 283 CD1 PHE A 19 -7.890 3.795 -14.260 1.00 0.00 C ATOM 284 CD2 PHE A 19 -9.005 2.030 -13.108 1.00 0.00 C ATOM 285 CE1 PHE A 19 -8.568 3.468 -15.419 1.00 0.00 C ATOM 286 CE2 PHE A 19 -9.683 1.700 -14.265 1.00 0.00 C ATOM 287 CZ PHE A 19 -9.464 2.421 -15.422 1.00 0.00 C ATOM 0 H PHE A 19 -6.609 4.479 -9.607 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.973 5.492 -12.331 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.325 3.116 -11.926 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.794 2.879 -10.999 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.189 4.616 -14.265 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.182 1.463 -12.206 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.396 4.033 -16.323 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.384 0.878 -14.265 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.994 2.165 -16.328 1.00 0.00 H new ATOM 297 N VAL A 20 -9.307 6.261 -12.163 1.00 0.00 N ATOM 298 CA VAL A 20 -10.616 6.881 -11.994 1.00 0.00 C ATOM 299 C VAL A 20 -11.629 6.303 -12.974 1.00 0.00 C ATOM 300 O VAL A 20 -11.321 6.088 -14.146 1.00 0.00 O ATOM 301 CB VAL A 20 -10.516 8.404 -12.201 1.00 0.00 C ATOM 302 CG1 VAL A 20 -11.865 9.064 -11.955 1.00 0.00 C ATOM 303 CG2 VAL A 20 -9.456 8.983 -11.278 1.00 0.00 C ATOM 0 H VAL A 20 -8.802 6.564 -12.996 1.00 0.00 H new ATOM 0 HA VAL A 20 -10.954 6.672 -10.979 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.226 8.603 -13.233 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.777 10.140 -12.106 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -12.600 8.660 -12.651 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -12.186 8.866 -10.932 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.391 10.060 -11.430 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.725 8.778 -10.242 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.492 8.526 -11.500 1.00 0.00 H new ATOM 313 N GLY A 21 -12.840 6.054 -12.487 1.00 0.00 N ATOM 314 CA GLY A 21 -13.905 5.511 -13.322 1.00 0.00 C ATOM 315 C GLY A 21 -15.204 6.282 -13.129 1.00 0.00 C ATOM 316 O GLY A 21 -15.284 7.184 -12.295 1.00 0.00 O ATOM 0 H GLY A 21 -13.109 6.220 -11.517 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.606 5.553 -14.369 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -14.063 4.461 -13.077 1.00 0.00 H new ATOM 320 N ASN A 22 -16.222 5.920 -13.903 1.00 0.00 N ATOM 321 CA ASN A 22 -17.505 6.611 -13.855 1.00 0.00 C ATOM 322 C ASN A 22 -17.343 8.095 -14.158 1.00 0.00 C ATOM 323 O ASN A 22 -17.915 8.944 -13.473 1.00 0.00 O ATOM 324 CB ASN A 22 -18.168 6.411 -12.504 1.00 0.00 C ATOM 325 CG ASN A 22 -18.534 4.975 -12.248 1.00 0.00 C ATOM 326 OD1 ASN A 22 -18.772 4.205 -13.185 1.00 0.00 O ATOM 327 ND2 ASN A 22 -18.584 4.600 -10.995 1.00 0.00 N ATOM 0 H ASN A 22 -16.183 5.151 -14.572 1.00 0.00 H new ATOM 0 HA ASN A 22 -18.147 6.181 -14.624 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.496 6.757 -11.719 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -19.066 7.027 -12.449 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.827 3.638 -10.760 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -18.380 5.270 -10.254 1.00 0.00 H new ATOM 334 N ILE A 23 -16.561 8.402 -15.187 1.00 0.00 N ATOM 335 CA ILE A 23 -16.386 9.779 -15.632 1.00 0.00 C ATOM 336 C ILE A 23 -17.368 10.129 -16.742 1.00 0.00 C ATOM 337 O ILE A 23 -17.453 9.430 -17.752 1.00 0.00 O ATOM 338 CB ILE A 23 -14.947 10.018 -16.125 1.00 0.00 C ATOM 339 CG1 ILE A 23 -13.946 9.762 -14.995 1.00 0.00 C ATOM 340 CG2 ILE A 23 -14.797 11.433 -16.663 1.00 0.00 C ATOM 341 CD1 ILE A 23 -12.504 9.745 -15.449 1.00 0.00 C ATOM 0 H ILE A 23 -16.038 7.715 -15.729 1.00 0.00 H new ATOM 0 HA ILE A 23 -16.581 10.424 -14.775 1.00 0.00 H new ATOM 0 HB ILE A 23 -14.738 9.319 -16.935 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.068 10.532 -14.233 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.180 8.807 -14.524 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.774 11.585 -17.007 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -15.485 11.581 -17.495 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -15.024 12.149 -15.873 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.855 9.558 -14.593 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.365 8.957 -16.189 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.251 10.708 -15.893 1.00 0.00 H new ATOM 353 N PRO A 24 -18.109 11.215 -16.549 1.00 0.00 N ATOM 354 CA PRO A 24 -19.026 11.708 -17.570 1.00 0.00 C ATOM 355 C PRO A 24 -18.306 11.942 -18.891 1.00 0.00 C ATOM 356 O PRO A 24 -17.159 12.389 -18.914 1.00 0.00 O ATOM 357 CB PRO A 24 -19.540 13.019 -16.967 1.00 0.00 C ATOM 358 CG PRO A 24 -19.402 12.824 -15.495 1.00 0.00 C ATOM 359 CD PRO A 24 -18.125 12.042 -15.340 1.00 0.00 C ATOM 0 HA PRO A 24 -19.826 11.007 -17.806 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.956 13.872 -17.312 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -20.576 13.207 -17.248 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -19.350 13.778 -14.971 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.253 12.281 -15.084 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.254 12.695 -15.284 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -18.128 11.436 -14.434 1.00 0.00 H new ATOM 367 N TYR A 25 -18.985 11.636 -19.992 1.00 0.00 N ATOM 368 CA TYR A 25 -18.415 11.823 -21.320 1.00 0.00 C ATOM 369 C TYR A 25 -18.253 13.302 -21.648 1.00 0.00 C ATOM 370 O TYR A 25 -17.445 13.674 -22.498 1.00 0.00 O ATOM 371 CB TYR A 25 -19.284 11.138 -22.377 1.00 0.00 C ATOM 372 CG TYR A 25 -19.210 9.627 -22.343 1.00 0.00 C ATOM 373 CD1 TYR A 25 -18.519 8.990 -21.323 1.00 0.00 C ATOM 374 CD2 TYR A 25 -19.832 8.880 -23.332 1.00 0.00 C ATOM 375 CE1 TYR A 25 -18.451 7.610 -21.291 1.00 0.00 C ATOM 376 CE2 TYR A 25 -19.764 7.500 -23.301 1.00 0.00 C ATOM 377 CZ TYR A 25 -19.077 6.866 -22.286 1.00 0.00 C ATOM 378 OH TYR A 25 -19.009 5.492 -22.255 1.00 0.00 O ATOM 0 H TYR A 25 -19.932 11.257 -19.990 1.00 0.00 H new ATOM 0 HA TYR A 25 -17.426 11.365 -21.326 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -20.320 11.445 -22.236 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -18.980 11.485 -23.364 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -18.034 9.572 -20.554 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -20.369 9.377 -24.126 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -17.914 7.112 -20.497 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -20.248 6.918 -24.071 1.00 0.00 H new ATOM 0 HH TYR A 25 -19.498 5.123 -23.020 1.00 0.00 H new ATOM 388 N GLU A 26 -19.027 14.141 -20.968 1.00 0.00 N ATOM 389 CA GLU A 26 -18.915 15.586 -21.128 1.00 0.00 C ATOM 390 C GLU A 26 -17.787 16.149 -20.273 1.00 0.00 C ATOM 391 O GLU A 26 -17.351 17.283 -20.472 1.00 0.00 O ATOM 392 CB GLU A 26 -20.236 16.267 -20.759 1.00 0.00 C ATOM 393 CG GLU A 26 -21.394 15.939 -21.691 1.00 0.00 C ATOM 394 CD GLU A 26 -22.678 16.605 -21.284 1.00 0.00 C ATOM 395 OE1 GLU A 26 -22.699 17.235 -20.255 1.00 0.00 O ATOM 396 OE2 GLU A 26 -23.641 16.483 -22.005 1.00 0.00 O ATOM 0 H GLU A 26 -19.739 13.845 -20.300 1.00 0.00 H new ATOM 0 HA GLU A 26 -18.687 15.789 -22.174 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -20.509 15.977 -19.744 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -20.085 17.346 -20.753 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -21.136 16.246 -22.705 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -21.542 14.859 -21.713 1.00 0.00 H new ATOM 403 N ALA A 27 -17.317 15.350 -19.321 1.00 0.00 N ATOM 404 CA ALA A 27 -16.231 15.763 -18.441 1.00 0.00 C ATOM 405 C ALA A 27 -14.874 15.484 -19.072 1.00 0.00 C ATOM 406 O ALA A 27 -14.774 14.746 -20.053 1.00 0.00 O ATOM 407 CB ALA A 27 -16.343 15.061 -17.095 1.00 0.00 C ATOM 0 H ALA A 27 -17.672 14.411 -19.139 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.315 16.839 -18.286 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -15.525 15.380 -16.449 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.294 15.317 -16.629 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.290 13.982 -17.242 1.00 0.00 H new ATOM 413 N THR A 28 -13.829 16.077 -18.505 1.00 0.00 N ATOM 414 CA THR A 28 -12.476 15.906 -19.021 1.00 0.00 C ATOM 415 C THR A 28 -11.441 16.053 -17.913 1.00 0.00 C ATOM 416 O THR A 28 -11.782 16.071 -16.730 1.00 0.00 O ATOM 417 CB THR A 28 -12.180 16.918 -20.144 1.00 0.00 C ATOM 418 OG1 THR A 28 -10.919 16.606 -20.750 1.00 0.00 O ATOM 419 CG2 THR A 28 -12.135 18.333 -19.588 1.00 0.00 C ATOM 0 H THR A 28 -13.893 16.682 -17.686 1.00 0.00 H new ATOM 0 HA THR A 28 -12.411 14.897 -19.429 1.00 0.00 H new ATOM 0 HB THR A 28 -12.974 16.856 -20.888 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.732 17.249 -21.466 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.925 19.035 -20.395 1.00 0.00 H new ATOM 0 HG22 THR A 28 -13.096 18.577 -19.136 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.351 18.403 -18.834 1.00 0.00 H new ATOM 427 N GLU A 29 -10.176 16.158 -18.303 1.00 0.00 N ATOM 428 CA GLU A 29 -9.077 16.177 -17.345 1.00 0.00 C ATOM 429 C GLU A 29 -9.147 17.409 -16.451 1.00 0.00 C ATOM 430 O GLU A 29 -8.855 17.338 -15.257 1.00 0.00 O ATOM 431 CB GLU A 29 -7.732 16.140 -18.074 1.00 0.00 C ATOM 432 CG GLU A 29 -7.446 14.832 -18.799 1.00 0.00 C ATOM 433 CD GLU A 29 -6.219 14.899 -19.664 1.00 0.00 C ATOM 434 OE1 GLU A 29 -5.613 15.942 -19.722 1.00 0.00 O ATOM 435 OE2 GLU A 29 -5.886 13.906 -20.267 1.00 0.00 O ATOM 0 H GLU A 29 -9.886 16.231 -19.278 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.168 15.291 -16.717 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.701 16.956 -18.796 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.936 16.323 -17.352 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.324 14.035 -18.065 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.305 14.569 -19.416 1.00 0.00 H new ATOM 442 N GLU A 30 -9.536 18.537 -17.036 1.00 0.00 N ATOM 443 CA GLU A 30 -9.703 19.773 -16.281 1.00 0.00 C ATOM 444 C GLU A 30 -10.818 19.643 -15.251 1.00 0.00 C ATOM 445 O GLU A 30 -10.707 20.149 -14.135 1.00 0.00 O ATOM 446 CB GLU A 30 -10.002 20.939 -17.226 1.00 0.00 C ATOM 447 CG GLU A 30 -8.833 21.345 -18.112 1.00 0.00 C ATOM 448 CD GLU A 30 -9.185 22.440 -19.080 1.00 0.00 C ATOM 449 OE1 GLU A 30 -10.343 22.770 -19.178 1.00 0.00 O ATOM 450 OE2 GLU A 30 -8.296 22.948 -19.721 1.00 0.00 O ATOM 0 H GLU A 30 -9.742 18.620 -18.032 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.770 19.970 -15.754 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.847 20.670 -17.860 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.310 21.801 -16.634 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.005 21.674 -17.484 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.485 20.474 -18.667 1.00 0.00 H new ATOM 457 N GLN A 31 -11.893 18.961 -15.633 1.00 0.00 N ATOM 458 CA GLN A 31 -13.023 18.749 -14.737 1.00 0.00 C ATOM 459 C GLN A 31 -12.646 17.834 -13.580 1.00 0.00 C ATOM 460 O GLN A 31 -13.137 17.994 -12.463 1.00 0.00 O ATOM 461 CB GLN A 31 -14.211 18.160 -15.503 1.00 0.00 C ATOM 462 CG GLN A 31 -14.787 19.083 -16.564 1.00 0.00 C ATOM 463 CD GLN A 31 -15.373 20.351 -15.972 1.00 0.00 C ATOM 464 OE1 GLN A 31 -16.161 20.303 -15.024 1.00 0.00 O ATOM 465 NE2 GLN A 31 -14.991 21.494 -16.530 1.00 0.00 N ATOM 0 H GLN A 31 -12.005 18.546 -16.558 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.308 19.718 -14.328 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -13.898 17.230 -15.978 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.997 17.906 -14.792 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -14.005 19.346 -17.276 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.561 18.554 -17.121 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.337 21.486 -17.313 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.352 22.380 -16.176 1.00 0.00 H new ATOM 474 N LEU A 32 -11.770 16.873 -13.854 1.00 0.00 N ATOM 475 CA LEU A 32 -11.205 16.030 -12.807 1.00 0.00 C ATOM 476 C LEU A 32 -10.342 16.843 -11.850 1.00 0.00 C ATOM 477 O LEU A 32 -10.399 16.654 -10.635 1.00 0.00 O ATOM 478 CB LEU A 32 -10.369 14.903 -13.427 1.00 0.00 C ATOM 479 CG LEU A 32 -11.159 13.829 -14.186 1.00 0.00 C ATOM 480 CD1 LEU A 32 -10.191 12.902 -14.908 1.00 0.00 C ATOM 481 CD2 LEU A 32 -12.032 13.055 -13.209 1.00 0.00 C ATOM 0 H LEU A 32 -11.436 16.659 -14.793 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.032 15.599 -12.243 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.645 15.346 -14.111 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.802 14.417 -12.633 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.806 14.297 -14.928 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.752 12.139 -15.447 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.592 13.479 -15.613 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.534 12.424 -14.181 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.593 12.292 -13.748 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.403 12.579 -12.457 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.726 13.739 -12.721 1.00 0.00 H new ATOM 493 N LYS A 33 -9.544 17.748 -12.406 1.00 0.00 N ATOM 494 CA LYS A 33 -8.691 18.614 -11.600 1.00 0.00 C ATOM 495 C LYS A 33 -9.514 19.453 -10.632 1.00 0.00 C ATOM 496 O LYS A 33 -9.113 19.671 -9.489 1.00 0.00 O ATOM 497 CB LYS A 33 -7.849 19.522 -12.498 1.00 0.00 C ATOM 498 CG LYS A 33 -6.844 20.389 -11.751 1.00 0.00 C ATOM 499 CD LYS A 33 -5.985 21.194 -12.715 1.00 0.00 C ATOM 500 CE LYS A 33 -4.998 22.080 -11.970 1.00 0.00 C ATOM 501 NZ LYS A 33 -4.164 22.889 -12.900 1.00 0.00 N ATOM 0 H LYS A 33 -9.470 17.901 -13.412 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.026 17.977 -11.017 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.313 18.904 -13.218 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.516 20.169 -13.067 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.372 21.066 -11.079 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.206 19.759 -11.131 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.443 20.516 -13.374 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.624 21.810 -13.347 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.542 22.745 -11.299 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.351 21.460 -11.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.505 23.478 -12.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.625 22.255 -13.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.778 23.500 -13.475 1.00 0.00 H new ATOM 515 N ASP A 34 -10.668 19.920 -11.096 1.00 0.00 N ATOM 516 CA ASP A 34 -11.535 20.764 -10.283 1.00 0.00 C ATOM 517 C ASP A 34 -12.041 20.015 -9.057 1.00 0.00 C ATOM 518 O ASP A 34 -12.480 20.624 -8.082 1.00 0.00 O ATOM 519 CB ASP A 34 -12.723 21.266 -11.108 1.00 0.00 C ATOM 520 CG ASP A 34 -12.331 22.330 -12.124 1.00 0.00 C ATOM 521 OD1 ASP A 34 -11.259 22.873 -12.003 1.00 0.00 O ATOM 522 OD2 ASP A 34 -13.108 22.589 -13.012 1.00 0.00 O ATOM 0 H ASP A 34 -11.025 19.728 -12.032 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.945 21.617 -9.948 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.179 20.424 -11.629 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.479 21.673 -10.437 1.00 0.00 H new ATOM 527 N ILE A 35 -11.978 18.689 -9.113 1.00 0.00 N ATOM 528 CA ILE A 35 -12.440 17.852 -8.011 1.00 0.00 C ATOM 529 C ILE A 35 -11.268 17.311 -7.202 1.00 0.00 C ATOM 530 O ILE A 35 -11.231 17.446 -5.979 1.00 0.00 O ATOM 531 CB ILE A 35 -13.291 16.680 -8.531 1.00 0.00 C ATOM 532 CG1 ILE A 35 -14.499 17.202 -9.314 1.00 0.00 C ATOM 533 CG2 ILE A 35 -13.742 15.797 -7.377 1.00 0.00 C ATOM 534 CD1 ILE A 35 -15.415 18.089 -8.502 1.00 0.00 C ATOM 0 H ILE A 35 -11.611 18.170 -9.911 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.054 18.478 -7.363 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.679 16.080 -9.204 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -14.145 17.759 -10.182 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -15.070 16.354 -9.691 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.343 14.973 -7.762 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.869 15.399 -6.861 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -14.338 16.386 -6.680 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -16.247 18.420 -9.124 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -15.800 17.531 -7.649 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.860 18.957 -8.147 1.00 0.00 H new ATOM 546 N PHE A 36 -10.313 16.697 -7.892 1.00 0.00 N ATOM 547 CA PHE A 36 -9.262 15.931 -7.232 1.00 0.00 C ATOM 548 C PHE A 36 -8.257 16.849 -6.549 1.00 0.00 C ATOM 549 O PHE A 36 -7.625 16.470 -5.564 1.00 0.00 O ATOM 550 CB PHE A 36 -8.540 15.036 -8.241 1.00 0.00 C ATOM 551 CG PHE A 36 -9.323 13.819 -8.641 1.00 0.00 C ATOM 552 CD1 PHE A 36 -10.598 13.941 -9.173 1.00 0.00 C ATOM 553 CD2 PHE A 36 -8.788 12.549 -8.485 1.00 0.00 C ATOM 554 CE1 PHE A 36 -11.320 12.821 -9.542 1.00 0.00 C ATOM 555 CE2 PHE A 36 -9.507 11.428 -8.853 1.00 0.00 C ATOM 556 CZ PHE A 36 -10.774 11.565 -9.382 1.00 0.00 C ATOM 0 H PHE A 36 -10.245 16.715 -8.910 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.733 15.309 -6.471 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.313 15.620 -9.133 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.587 14.720 -7.816 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.032 14.922 -9.300 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.797 12.435 -8.071 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -12.312 12.930 -9.956 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -9.078 10.445 -8.727 1.00 0.00 H new ATOM 0 HZ PHE A 36 -11.337 10.690 -9.670 1.00 0.00 H new ATOM 566 N SER A 37 -8.114 18.060 -7.078 1.00 0.00 N ATOM 567 CA SER A 37 -7.170 19.028 -6.533 1.00 0.00 C ATOM 568 C SER A 37 -7.610 19.511 -5.157 1.00 0.00 C ATOM 569 O SER A 37 -6.828 20.112 -4.420 1.00 0.00 O ATOM 570 CB SER A 37 -7.032 20.209 -7.473 1.00 0.00 C ATOM 571 OG SER A 37 -8.206 20.973 -7.496 1.00 0.00 O ATOM 0 H SER A 37 -8.641 18.394 -7.885 1.00 0.00 H new ATOM 0 HA SER A 37 -6.204 18.534 -6.429 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.195 20.832 -7.159 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.806 19.854 -8.478 1.00 0.00 H new ATOM 0 HG SER A 37 -8.677 20.823 -8.342 1.00 0.00 H new ATOM 577 N GLU A 38 -8.866 19.246 -4.816 1.00 0.00 N ATOM 578 CA GLU A 38 -9.399 19.611 -3.509 1.00 0.00 C ATOM 579 C GLU A 38 -8.789 18.756 -2.406 1.00 0.00 C ATOM 580 O GLU A 38 -8.732 19.167 -1.247 1.00 0.00 O ATOM 581 CB GLU A 38 -10.922 19.469 -3.494 1.00 0.00 C ATOM 582 CG GLU A 38 -11.656 20.471 -4.373 1.00 0.00 C ATOM 583 CD GLU A 38 -13.150 20.313 -4.320 1.00 0.00 C ATOM 584 OE1 GLU A 38 -13.606 19.344 -3.762 1.00 0.00 O ATOM 585 OE2 GLU A 38 -13.837 21.163 -4.837 1.00 0.00 O ATOM 0 H GLU A 38 -9.535 18.779 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.135 20.652 -3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.184 18.461 -3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.275 19.577 -2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.392 21.482 -4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.320 20.357 -5.404 1.00 0.00 H new ATOM 592 N VAL A 39 -8.333 17.563 -2.774 1.00 0.00 N ATOM 593 CA VAL A 39 -7.752 16.635 -1.811 1.00 0.00 C ATOM 594 C VAL A 39 -6.344 17.060 -1.416 1.00 0.00 C ATOM 595 O VAL A 39 -6.008 17.108 -0.233 1.00 0.00 O ATOM 596 CB VAL A 39 -7.710 15.212 -2.399 1.00 0.00 C ATOM 597 CG1 VAL A 39 -6.984 14.266 -1.454 1.00 0.00 C ATOM 598 CG2 VAL A 39 -9.124 14.722 -2.671 1.00 0.00 C ATOM 0 H VAL A 39 -8.355 17.216 -3.733 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.381 16.644 -0.921 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.162 15.235 -3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.964 13.265 -1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.963 14.616 -1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.504 14.238 -0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.086 13.715 -3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.690 14.709 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.610 15.390 -3.382 1.00 0.00 H new ATOM 608 N GLY A 40 -5.523 17.368 -2.415 1.00 0.00 N ATOM 609 CA GLY A 40 -4.151 17.799 -2.173 1.00 0.00 C ATOM 610 C GLY A 40 -3.421 18.073 -3.482 1.00 0.00 C ATOM 611 O GLY A 40 -4.028 18.078 -4.553 1.00 0.00 O ATOM 0 H GLY A 40 -5.784 17.327 -3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.153 18.700 -1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.620 17.031 -1.611 1.00 0.00 H new ATOM 615 N PRO A 41 -2.115 18.299 -3.388 1.00 0.00 N ATOM 616 CA PRO A 41 -1.313 18.650 -4.555 1.00 0.00 C ATOM 617 C PRO A 41 -1.342 17.539 -5.597 1.00 0.00 C ATOM 618 O PRO A 41 -1.224 16.360 -5.264 1.00 0.00 O ATOM 619 CB PRO A 41 0.089 18.837 -3.966 1.00 0.00 C ATOM 620 CG PRO A 41 -0.159 19.206 -2.543 1.00 0.00 C ATOM 621 CD PRO A 41 -1.351 18.378 -2.143 1.00 0.00 C ATOM 0 HA PRO A 41 -1.675 19.536 -5.078 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.679 17.924 -4.044 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.640 19.618 -4.490 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.706 18.984 -1.918 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.363 20.272 -2.439 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.058 17.392 -1.784 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.924 18.850 -1.345 1.00 0.00 H new ATOM 629 N VAL A 42 -1.498 17.923 -6.859 1.00 0.00 N ATOM 630 CA VAL A 42 -1.567 16.959 -7.950 1.00 0.00 C ATOM 631 C VAL A 42 -0.434 17.170 -8.945 1.00 0.00 C ATOM 632 O VAL A 42 0.227 18.209 -8.937 1.00 0.00 O ATOM 633 CB VAL A 42 -2.918 17.076 -8.682 1.00 0.00 C ATOM 634 CG1 VAL A 42 -4.066 16.772 -7.732 1.00 0.00 C ATOM 635 CG2 VAL A 42 -3.064 18.468 -9.278 1.00 0.00 C ATOM 0 H VAL A 42 -1.579 18.897 -7.152 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.470 15.963 -7.518 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.948 16.346 -9.491 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.013 16.859 -8.265 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.960 15.759 -7.345 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.050 17.480 -6.903 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.021 18.544 -9.794 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.021 19.211 -8.482 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.255 18.647 -9.986 1.00 0.00 H new ATOM 645 N VAL A 43 -0.213 16.180 -9.803 1.00 0.00 N ATOM 646 CA VAL A 43 0.827 16.265 -10.821 1.00 0.00 C ATOM 647 C VAL A 43 0.225 16.394 -12.214 1.00 0.00 C ATOM 648 O VAL A 43 0.466 17.376 -12.917 1.00 0.00 O ATOM 649 CB VAL A 43 1.729 15.018 -10.769 1.00 0.00 C ATOM 650 CG1 VAL A 43 2.755 15.055 -11.892 1.00 0.00 C ATOM 651 CG2 VAL A 43 2.415 14.931 -9.414 1.00 0.00 C ATOM 0 H VAL A 43 -0.742 15.308 -9.813 1.00 0.00 H new ATOM 0 HA VAL A 43 1.421 17.155 -10.614 1.00 0.00 H new ATOM 0 HB VAL A 43 1.112 14.130 -10.905 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.384 14.166 -11.840 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.242 15.080 -12.853 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.376 15.945 -11.789 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.051 14.047 -9.384 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.024 15.821 -9.257 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.662 14.863 -8.629 1.00 0.00 H new ATOM 661 N SER A 44 -0.561 15.398 -12.609 1.00 0.00 N ATOM 662 CA SER A 44 -1.049 15.304 -13.979 1.00 0.00 C ATOM 663 C SER A 44 -2.281 14.413 -14.065 1.00 0.00 C ATOM 664 O SER A 44 -2.430 13.466 -13.292 1.00 0.00 O ATOM 665 CB SER A 44 0.041 14.764 -14.885 1.00 0.00 C ATOM 666 OG SER A 44 -0.427 14.612 -16.198 1.00 0.00 O ATOM 0 H SER A 44 -0.874 14.643 -11.998 1.00 0.00 H new ATOM 0 HA SER A 44 -1.328 16.306 -14.306 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.895 15.441 -14.876 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.391 13.804 -14.506 1.00 0.00 H new ATOM 0 HG SER A 44 -0.707 15.483 -16.548 1.00 0.00 H new ATOM 672 N PHE A 45 -3.163 14.721 -15.010 1.00 0.00 N ATOM 673 CA PHE A 45 -4.349 13.906 -15.247 1.00 0.00 C ATOM 674 C PHE A 45 -4.315 13.273 -16.632 1.00 0.00 C ATOM 675 O PHE A 45 -3.686 13.799 -17.550 1.00 0.00 O ATOM 676 CB PHE A 45 -5.616 14.750 -15.097 1.00 0.00 C ATOM 677 CG PHE A 45 -5.866 15.225 -13.694 1.00 0.00 C ATOM 678 CD1 PHE A 45 -5.183 16.320 -13.186 1.00 0.00 C ATOM 679 CD2 PHE A 45 -6.782 14.577 -12.879 1.00 0.00 C ATOM 680 CE1 PHE A 45 -5.412 16.758 -11.895 1.00 0.00 C ATOM 681 CE2 PHE A 45 -7.014 15.013 -11.589 1.00 0.00 C ATOM 682 CZ PHE A 45 -6.327 16.105 -11.097 1.00 0.00 C ATOM 0 H PHE A 45 -3.079 15.530 -15.625 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.357 13.109 -14.503 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.545 15.615 -15.756 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.473 14.165 -15.430 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.465 16.836 -13.806 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.321 13.721 -13.258 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.874 17.612 -11.511 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.732 14.500 -10.966 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.506 16.447 -10.088 1.00 0.00 H new ATOM 692 N ARG A 46 -4.995 12.141 -16.776 1.00 0.00 N ATOM 693 CA ARG A 46 -5.127 11.487 -18.073 1.00 0.00 C ATOM 694 C ARG A 46 -6.550 10.991 -18.297 1.00 0.00 C ATOM 695 O ARG A 46 -7.097 10.254 -17.478 1.00 0.00 O ATOM 696 CB ARG A 46 -4.162 10.315 -18.182 1.00 0.00 C ATOM 697 CG ARG A 46 -2.692 10.699 -18.225 1.00 0.00 C ATOM 698 CD ARG A 46 -2.335 11.364 -19.504 1.00 0.00 C ATOM 699 NE ARG A 46 -0.913 11.658 -19.585 1.00 0.00 N ATOM 700 CZ ARG A 46 -0.333 12.772 -19.096 1.00 0.00 C ATOM 701 NH1 ARG A 46 -1.065 13.685 -18.497 1.00 0.00 N ATOM 702 NH2 ARG A 46 0.971 12.946 -19.220 1.00 0.00 N ATOM 0 H ARG A 46 -5.464 11.657 -16.010 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.888 12.225 -18.838 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.324 9.650 -17.334 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.401 9.749 -19.082 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.466 11.365 -17.393 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.079 9.807 -18.095 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.621 10.723 -20.338 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.903 12.289 -19.603 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.313 10.973 -20.044 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.072 13.550 -18.402 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.626 14.528 -18.127 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.538 12.237 -19.686 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.410 13.789 -18.850 1.00 0.00 H new ATOM 716 N LEU A 47 -7.145 11.402 -19.412 1.00 0.00 N ATOM 717 CA LEU A 47 -8.466 10.920 -19.798 1.00 0.00 C ATOM 718 C LEU A 47 -8.365 9.790 -20.814 1.00 0.00 C ATOM 719 O LEU A 47 -7.772 9.953 -21.881 1.00 0.00 O ATOM 720 CB LEU A 47 -9.299 12.068 -20.381 1.00 0.00 C ATOM 721 CG LEU A 47 -10.700 11.688 -20.876 1.00 0.00 C ATOM 722 CD1 LEU A 47 -11.552 11.239 -19.697 1.00 0.00 C ATOM 723 CD2 LEU A 47 -11.329 12.879 -21.584 1.00 0.00 C ATOM 0 H LEU A 47 -6.733 12.069 -20.065 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.956 10.535 -18.904 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.400 12.842 -19.620 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -8.747 12.508 -21.212 1.00 0.00 H new ATOM 0 HG LEU A 47 -10.633 10.863 -21.585 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -12.548 10.969 -20.049 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.089 10.375 -19.222 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -11.631 12.051 -18.975 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -12.325 12.609 -21.936 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -11.404 13.717 -20.890 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.709 13.166 -22.434 1.00 0.00 H new ATOM 735 N VAL A 48 -8.947 8.644 -20.478 1.00 0.00 N ATOM 736 CA VAL A 48 -9.000 7.513 -21.396 1.00 0.00 C ATOM 737 C VAL A 48 -10.259 7.558 -22.254 1.00 0.00 C ATOM 738 O VAL A 48 -11.372 7.646 -21.735 1.00 0.00 O ATOM 739 CB VAL A 48 -8.963 6.187 -20.613 1.00 0.00 C ATOM 740 CG1 VAL A 48 -9.101 5.005 -21.561 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.671 6.092 -19.816 1.00 0.00 C ATOM 0 H VAL A 48 -9.389 8.474 -19.575 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.130 7.576 -22.050 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.803 6.162 -19.919 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.073 4.076 -20.991 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.049 5.075 -22.094 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.280 5.016 -22.278 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.652 5.152 -19.265 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.820 6.131 -20.496 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.614 6.925 -19.115 1.00 0.00 H new ATOM 751 N TYR A 49 -10.075 7.498 -23.568 1.00 0.00 N ATOM 752 CA TYR A 49 -11.181 7.661 -24.504 1.00 0.00 C ATOM 753 C TYR A 49 -11.032 6.730 -25.700 1.00 0.00 C ATOM 754 O TYR A 49 -9.944 6.222 -25.972 1.00 0.00 O ATOM 755 CB TYR A 49 -11.276 9.115 -24.973 1.00 0.00 C ATOM 756 CG TYR A 49 -10.116 9.554 -25.839 1.00 0.00 C ATOM 757 CD1 TYR A 49 -10.214 9.476 -27.220 1.00 0.00 C ATOM 758 CD2 TYR A 49 -8.955 10.034 -25.252 1.00 0.00 C ATOM 759 CE1 TYR A 49 -9.155 9.877 -28.012 1.00 0.00 C ATOM 760 CE2 TYR A 49 -7.896 10.435 -26.043 1.00 0.00 C ATOM 761 CZ TYR A 49 -7.993 10.358 -27.417 1.00 0.00 C ATOM 762 OH TYR A 49 -6.939 10.757 -28.205 1.00 0.00 O ATOM 0 H TYR A 49 -9.170 7.338 -24.009 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.102 7.398 -23.983 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -12.204 9.248 -25.530 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.332 9.766 -24.100 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.118 9.102 -27.677 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.879 10.094 -24.176 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.229 9.817 -29.088 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.992 10.809 -25.586 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.204 11.068 -27.636 1.00 0.00 H new ATOM 772 N ASP A 50 -12.132 6.509 -26.413 1.00 0.00 N ATOM 773 CA ASP A 50 -12.113 5.688 -27.617 1.00 0.00 C ATOM 774 C ASP A 50 -11.834 6.530 -28.855 1.00 0.00 C ATOM 775 O ASP A 50 -12.644 7.374 -29.238 1.00 0.00 O ATOM 776 CB ASP A 50 -13.443 4.949 -27.784 1.00 0.00 C ATOM 777 CG ASP A 50 -13.449 4.001 -28.975 1.00 0.00 C ATOM 778 OD1 ASP A 50 -12.463 3.945 -29.671 1.00 0.00 O ATOM 779 OD2 ASP A 50 -14.440 3.340 -29.178 1.00 0.00 O ATOM 0 H ASP A 50 -13.049 6.888 -26.177 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.310 4.960 -27.507 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.656 4.385 -26.876 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.245 5.677 -27.902 1.00 0.00 H new ATOM 784 N ARG A 51 -10.684 6.297 -29.477 1.00 0.00 N ATOM 785 CA ARG A 51 -10.261 7.086 -30.627 1.00 0.00 C ATOM 786 C ARG A 51 -11.186 6.866 -31.817 1.00 0.00 C ATOM 787 O ARG A 51 -11.351 7.748 -32.659 1.00 0.00 O ATOM 788 CB ARG A 51 -8.835 6.733 -31.024 1.00 0.00 C ATOM 789 CG ARG A 51 -7.766 7.185 -30.042 1.00 0.00 C ATOM 790 CD ARG A 51 -6.411 6.749 -30.465 1.00 0.00 C ATOM 791 NE ARG A 51 -5.387 7.172 -29.524 1.00 0.00 N ATOM 792 CZ ARG A 51 -4.092 6.803 -29.585 1.00 0.00 C ATOM 793 NH1 ARG A 51 -3.681 6.004 -30.545 1.00 0.00 N ATOM 794 NH2 ARG A 51 -3.236 7.243 -28.679 1.00 0.00 N ATOM 0 H ARG A 51 -10.027 5.566 -29.203 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.306 8.136 -30.338 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.764 5.652 -31.144 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.624 7.176 -31.997 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.788 8.271 -29.955 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.986 6.782 -29.054 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.392 5.663 -30.559 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.189 7.158 -31.451 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.668 7.792 -28.764 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.342 5.664 -31.243 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.701 5.725 -30.591 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.555 7.862 -27.934 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.256 6.964 -28.725 1.00 0.00 H new ATOM 808 N GLU A 52 -11.787 5.682 -31.881 1.00 0.00 N ATOM 809 CA GLU A 52 -12.672 5.331 -32.985 1.00 0.00 C ATOM 810 C GLU A 52 -14.031 6.004 -32.837 1.00 0.00 C ATOM 811 O GLU A 52 -14.571 6.552 -33.798 1.00 0.00 O ATOM 812 CB GLU A 52 -12.849 3.813 -33.065 1.00 0.00 C ATOM 813 CG GLU A 52 -13.723 3.342 -34.219 1.00 0.00 C ATOM 814 CD GLU A 52 -13.121 3.632 -35.565 1.00 0.00 C ATOM 815 OE1 GLU A 52 -11.928 3.808 -35.636 1.00 0.00 O ATOM 816 OE2 GLU A 52 -13.854 3.676 -36.525 1.00 0.00 O ATOM 0 H GLU A 52 -11.677 4.949 -31.180 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.212 5.687 -33.907 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.867 3.349 -33.156 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.283 3.460 -32.129 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.892 2.269 -34.126 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.698 3.825 -34.151 1.00 0.00 H new ATOM 823 N THR A 53 -14.579 5.958 -31.628 1.00 0.00 N ATOM 824 CA THR A 53 -15.879 6.558 -31.353 1.00 0.00 C ATOM 825 C THR A 53 -15.774 8.074 -31.245 1.00 0.00 C ATOM 826 O THR A 53 -16.603 8.803 -31.789 1.00 0.00 O ATOM 827 CB THR A 53 -16.490 5.988 -30.060 1.00 0.00 C ATOM 828 OG1 THR A 53 -16.683 4.575 -30.201 1.00 0.00 O ATOM 829 CG2 THR A 53 -17.827 6.651 -29.764 1.00 0.00 C ATOM 0 H THR A 53 -14.143 5.511 -30.822 1.00 0.00 H new ATOM 0 HA THR A 53 -16.532 6.311 -32.190 1.00 0.00 H new ATOM 0 HB THR A 53 -15.806 6.188 -29.235 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.908 4.101 -29.833 1.00 0.00 H new ATOM 0 HG21 THR A 53 -18.244 6.236 -28.847 1.00 0.00 H new ATOM 0 HG22 THR A 53 -17.682 7.725 -29.643 1.00 0.00 H new ATOM 0 HG23 THR A 53 -18.514 6.469 -30.590 1.00 0.00 H new ATOM 837 N GLY A 54 -14.751 8.543 -30.539 1.00 0.00 N ATOM 838 CA GLY A 54 -14.564 9.971 -30.316 1.00 0.00 C ATOM 839 C GLY A 54 -15.114 10.393 -28.959 1.00 0.00 C ATOM 840 O GLY A 54 -15.181 11.582 -28.648 1.00 0.00 O ATOM 0 H GLY A 54 -14.037 7.953 -30.111 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.503 10.215 -30.373 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.063 10.534 -31.105 1.00 0.00 H new ATOM 844 N LYS A 55 -15.508 9.411 -28.155 1.00 0.00 N ATOM 845 CA LYS A 55 -16.057 9.679 -26.831 1.00 0.00 C ATOM 846 C LYS A 55 -15.228 9.007 -25.744 1.00 0.00 C ATOM 847 O LYS A 55 -14.632 7.953 -25.967 1.00 0.00 O ATOM 848 CB LYS A 55 -17.510 9.210 -26.749 1.00 0.00 C ATOM 849 CG LYS A 55 -18.467 9.962 -27.665 1.00 0.00 C ATOM 850 CD LYS A 55 -19.897 9.475 -27.490 1.00 0.00 C ATOM 851 CE LYS A 55 -20.852 10.216 -28.415 1.00 0.00 C ATOM 852 NZ LYS A 55 -22.255 9.746 -28.259 1.00 0.00 N ATOM 0 H LYS A 55 -15.457 8.422 -28.398 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.023 10.756 -26.668 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -17.551 8.149 -26.994 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.855 9.313 -25.720 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -18.415 11.029 -27.451 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -18.160 9.830 -28.702 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -19.946 8.405 -27.694 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.207 9.617 -26.455 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -20.802 11.285 -28.207 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -20.536 10.078 -29.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -22.873 10.276 -28.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -22.308 8.732 -28.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -22.566 9.901 -27.279 1.00 0.00 H new ATOM 866 N PRO A 56 -15.193 9.623 -24.567 1.00 0.00 N ATOM 867 CA PRO A 56 -14.501 9.047 -23.421 1.00 0.00 C ATOM 868 C PRO A 56 -15.034 7.657 -23.098 1.00 0.00 C ATOM 869 O PRO A 56 -16.194 7.348 -23.369 1.00 0.00 O ATOM 870 CB PRO A 56 -14.805 10.044 -22.298 1.00 0.00 C ATOM 871 CG PRO A 56 -15.063 11.328 -23.009 1.00 0.00 C ATOM 872 CD PRO A 56 -15.801 10.922 -24.257 1.00 0.00 C ATOM 0 HA PRO A 56 -13.433 8.908 -23.587 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.670 9.732 -21.712 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.967 10.133 -21.607 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.658 12.008 -22.399 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.133 11.844 -23.247 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.874 10.839 -24.087 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.661 11.640 -25.065 1.00 0.00 H new ATOM 880 N LYS A 57 -14.180 6.821 -22.516 1.00 0.00 N ATOM 881 CA LYS A 57 -14.596 5.506 -22.045 1.00 0.00 C ATOM 882 C LYS A 57 -15.107 5.571 -20.611 1.00 0.00 C ATOM 883 O LYS A 57 -15.630 4.590 -20.083 1.00 0.00 O ATOM 884 CB LYS A 57 -13.439 4.510 -22.146 1.00 0.00 C ATOM 885 CG LYS A 57 -13.028 4.166 -23.571 1.00 0.00 C ATOM 886 CD LYS A 57 -11.890 3.157 -23.590 1.00 0.00 C ATOM 887 CE LYS A 57 -11.497 2.790 -25.013 1.00 0.00 C ATOM 888 NZ LYS A 57 -10.282 1.932 -25.052 1.00 0.00 N ATOM 0 H LYS A 57 -13.194 7.032 -22.359 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.412 5.166 -22.683 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.576 4.920 -21.621 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.720 3.592 -21.630 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.884 3.762 -24.111 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.721 5.073 -24.092 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.027 3.570 -23.068 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.189 2.258 -23.050 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.324 2.269 -25.495 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.317 3.700 -25.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.049 1.705 -26.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.485 2.438 -24.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.462 1.052 -24.528 1.00 0.00 H new ATOM 902 N GLY A 58 -14.953 6.733 -19.986 1.00 0.00 N ATOM 903 CA GLY A 58 -15.434 6.941 -18.625 1.00 0.00 C ATOM 904 C GLY A 58 -14.345 6.636 -17.604 1.00 0.00 C ATOM 905 O GLY A 58 -14.621 6.497 -16.412 1.00 0.00 O ATOM 0 H GLY A 58 -14.498 7.546 -20.401 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -15.768 7.972 -18.508 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.298 6.303 -18.440 1.00 0.00 H new ATOM 909 N TYR A 59 -13.108 6.534 -18.077 1.00 0.00 N ATOM 910 CA TYR A 59 -11.982 6.203 -17.213 1.00 0.00 C ATOM 911 C TYR A 59 -10.824 7.171 -17.421 1.00 0.00 C ATOM 912 O TYR A 59 -10.727 7.822 -18.461 1.00 0.00 O ATOM 913 CB TYR A 59 -11.522 4.764 -17.461 1.00 0.00 C ATOM 914 CG TYR A 59 -12.580 3.725 -17.165 1.00 0.00 C ATOM 915 CD1 TYR A 59 -13.391 3.250 -18.186 1.00 0.00 C ATOM 916 CD2 TYR A 59 -12.740 3.247 -15.873 1.00 0.00 C ATOM 917 CE1 TYR A 59 -14.357 2.301 -17.915 1.00 0.00 C ATOM 918 CE2 TYR A 59 -13.706 2.298 -15.603 1.00 0.00 C ATOM 919 CZ TYR A 59 -14.513 1.825 -16.618 1.00 0.00 C ATOM 920 OH TYR A 59 -15.475 0.880 -16.349 1.00 0.00 O ATOM 0 H TYR A 59 -12.860 6.676 -19.056 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.316 6.293 -16.179 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.211 4.666 -18.501 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.645 4.562 -16.846 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -13.267 3.622 -19.192 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -12.109 3.617 -15.078 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -14.989 1.930 -18.708 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.830 1.926 -14.597 1.00 0.00 H new ATOM 0 HH TYR A 59 -15.453 0.653 -15.396 1.00 0.00 H new ATOM 930 N GLY A 60 -9.949 7.261 -16.426 1.00 0.00 N ATOM 931 CA GLY A 60 -8.786 8.137 -16.506 1.00 0.00 C ATOM 932 C GLY A 60 -7.844 7.910 -15.330 1.00 0.00 C ATOM 933 O GLY A 60 -8.035 6.987 -14.539 1.00 0.00 O ATOM 0 H GLY A 60 -10.023 6.738 -15.554 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.255 7.957 -17.441 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.111 9.177 -16.520 1.00 0.00 H new ATOM 937 N PHE A 61 -6.826 8.758 -15.222 1.00 0.00 N ATOM 938 CA PHE A 61 -5.849 8.648 -14.146 1.00 0.00 C ATOM 939 C PHE A 61 -5.630 9.991 -13.461 1.00 0.00 C ATOM 940 O PHE A 61 -5.809 11.046 -14.071 1.00 0.00 O ATOM 941 CB PHE A 61 -4.517 8.122 -14.685 1.00 0.00 C ATOM 942 CG PHE A 61 -4.600 6.733 -15.253 1.00 0.00 C ATOM 943 CD1 PHE A 61 -4.885 6.534 -16.596 1.00 0.00 C ATOM 944 CD2 PHE A 61 -4.393 5.625 -14.447 1.00 0.00 C ATOM 945 CE1 PHE A 61 -4.961 5.257 -17.119 1.00 0.00 C ATOM 946 CE2 PHE A 61 -4.468 4.347 -14.967 1.00 0.00 C ATOM 947 CZ PHE A 61 -4.752 4.164 -16.305 1.00 0.00 C ATOM 0 H PHE A 61 -6.657 9.529 -15.867 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.243 7.945 -13.412 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.155 8.800 -15.458 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.781 8.133 -13.881 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.049 7.386 -17.239 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.170 5.762 -13.399 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.184 5.115 -18.166 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.305 3.492 -14.327 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.810 3.166 -16.714 1.00 0.00 H new ATOM 957 N CYS A 62 -5.242 9.946 -12.191 1.00 0.00 N ATOM 958 CA CYS A 62 -4.830 11.146 -11.473 1.00 0.00 C ATOM 959 C CYS A 62 -3.563 10.897 -10.665 1.00 0.00 C ATOM 960 O CYS A 62 -3.588 10.195 -9.654 1.00 0.00 O ATOM 961 CB CYS A 62 -5.942 11.619 -10.535 1.00 0.00 C ATOM 962 SG CYS A 62 -5.510 13.075 -9.554 1.00 0.00 S ATOM 0 H CYS A 62 -5.204 9.090 -11.637 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.627 11.918 -12.215 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.830 11.843 -11.126 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -6.205 10.804 -9.860 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.993 14.140 -10.122 1.00 0.00 H new ATOM 968 N GLU A 63 -2.456 11.475 -11.117 1.00 0.00 N ATOM 969 CA GLU A 63 -1.180 11.334 -10.426 1.00 0.00 C ATOM 970 C GLU A 63 -1.005 12.415 -9.367 1.00 0.00 C ATOM 971 O GLU A 63 -1.068 13.607 -9.667 1.00 0.00 O ATOM 972 CB GLU A 63 -0.023 11.392 -11.425 1.00 0.00 C ATOM 973 CG GLU A 63 1.351 11.170 -10.809 1.00 0.00 C ATOM 974 CD GLU A 63 2.445 11.078 -11.836 1.00 0.00 C ATOM 975 OE1 GLU A 63 2.146 11.157 -13.004 1.00 0.00 O ATOM 976 OE2 GLU A 63 3.581 10.928 -11.453 1.00 0.00 O ATOM 0 H GLU A 63 -2.417 12.047 -11.961 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.175 10.364 -9.930 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.187 10.640 -12.197 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.034 12.364 -11.919 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.572 11.987 -10.122 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.335 10.254 -10.219 1.00 0.00 H new ATOM 983 N TYR A 64 -0.784 11.991 -8.127 1.00 0.00 N ATOM 984 CA TYR A 64 -0.571 12.922 -7.026 1.00 0.00 C ATOM 985 C TYR A 64 0.913 13.097 -6.731 1.00 0.00 C ATOM 986 O TYR A 64 1.735 12.266 -7.117 1.00 0.00 O ATOM 987 CB TYR A 64 -1.308 12.445 -5.772 1.00 0.00 C ATOM 988 CG TYR A 64 -2.808 12.631 -5.837 1.00 0.00 C ATOM 989 CD1 TYR A 64 -3.610 11.622 -6.352 1.00 0.00 C ATOM 990 CD2 TYR A 64 -3.382 13.809 -5.384 1.00 0.00 C ATOM 991 CE1 TYR A 64 -4.979 11.791 -6.412 1.00 0.00 C ATOM 992 CE2 TYR A 64 -4.751 13.978 -5.444 1.00 0.00 C ATOM 993 CZ TYR A 64 -5.549 12.975 -5.955 1.00 0.00 C ATOM 994 OH TYR A 64 -6.913 13.143 -6.015 1.00 0.00 O ATOM 0 H TYR A 64 -0.748 11.007 -7.860 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.973 13.890 -7.324 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.089 11.389 -5.613 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.922 12.985 -4.907 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -3.163 10.705 -6.706 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -2.758 14.595 -4.984 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -5.605 11.007 -6.812 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.197 14.896 -5.091 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.150 14.024 -5.656 1.00 0.00 H new ATOM 1004 N GLN A 65 1.251 14.184 -6.045 1.00 0.00 N ATOM 1005 CA GLN A 65 2.644 14.520 -5.779 1.00 0.00 C ATOM 1006 C GLN A 65 3.229 13.626 -4.693 1.00 0.00 C ATOM 1007 O GLN A 65 4.447 13.511 -4.559 1.00 0.00 O ATOM 1008 CB GLN A 65 2.773 15.990 -5.371 1.00 0.00 C ATOM 1009 CG GLN A 65 2.479 16.975 -6.490 1.00 0.00 C ATOM 1010 CD GLN A 65 2.706 18.414 -6.069 1.00 0.00 C ATOM 1011 OE1 GLN A 65 3.428 18.687 -5.106 1.00 0.00 O ATOM 1012 NE2 GLN A 65 2.089 19.344 -6.789 1.00 0.00 N ATOM 0 H GLN A 65 0.578 14.848 -5.663 1.00 0.00 H new ATOM 0 HA GLN A 65 3.206 14.355 -6.698 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.094 16.186 -4.542 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.784 16.166 -5.003 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.112 16.746 -7.347 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.446 16.853 -6.815 1.00 0.00 H new ATOM 0 HE21 GLN A 65 1.501 19.072 -7.577 1.00 0.00 H new ATOM 0 HE22 GLN A 65 2.203 20.330 -6.554 1.00 0.00 H new ATOM 1021 N ASP A 66 2.353 12.994 -3.920 1.00 0.00 N ATOM 1022 CA ASP A 66 2.775 12.009 -2.931 1.00 0.00 C ATOM 1023 C ASP A 66 1.702 10.948 -2.718 1.00 0.00 C ATOM 1024 O ASP A 66 0.580 11.079 -3.205 1.00 0.00 O ATOM 1025 CB ASP A 66 3.098 12.690 -1.599 1.00 0.00 C ATOM 1026 CG ASP A 66 1.906 13.428 -1.006 1.00 0.00 C ATOM 1027 OD1 ASP A 66 0.840 12.861 -0.969 1.00 0.00 O ATOM 1028 OD2 ASP A 66 2.073 14.551 -0.596 1.00 0.00 O ATOM 0 H ASP A 66 1.345 13.146 -3.959 1.00 0.00 H new ATOM 0 HA ASP A 66 3.673 11.522 -3.312 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.445 11.940 -0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.918 13.393 -1.746 1.00 0.00 H new ATOM 1033 N GLN A 67 2.055 9.895 -1.988 1.00 0.00 N ATOM 1034 CA GLN A 67 1.206 8.715 -1.884 1.00 0.00 C ATOM 1035 C GLN A 67 0.143 8.894 -0.808 1.00 0.00 C ATOM 1036 O GLN A 67 -0.959 8.356 -0.915 1.00 0.00 O ATOM 1037 CB GLN A 67 2.049 7.472 -1.585 1.00 0.00 C ATOM 1038 CG GLN A 67 2.985 7.069 -2.712 1.00 0.00 C ATOM 1039 CD GLN A 67 3.897 5.921 -2.324 1.00 0.00 C ATOM 1040 OE1 GLN A 67 3.460 4.943 -1.710 1.00 0.00 O ATOM 1041 NE2 GLN A 67 5.172 6.033 -2.680 1.00 0.00 N ATOM 0 H GLN A 67 2.925 9.835 -1.459 1.00 0.00 H new ATOM 0 HA GLN A 67 0.704 8.582 -2.842 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.638 7.654 -0.686 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.382 6.638 -1.366 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.397 6.783 -3.584 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.590 7.928 -3.003 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.489 6.859 -3.187 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.834 5.293 -2.447 1.00 0.00 H new ATOM 1050 N GLU A 68 0.481 9.652 0.230 1.00 0.00 N ATOM 1051 CA GLU A 68 -0.450 9.916 1.321 1.00 0.00 C ATOM 1052 C GLU A 68 -1.690 10.646 0.822 1.00 0.00 C ATOM 1053 O GLU A 68 -2.805 10.369 1.263 1.00 0.00 O ATOM 1054 CB GLU A 68 0.232 10.738 2.416 1.00 0.00 C ATOM 1055 CG GLU A 68 1.296 9.982 3.200 1.00 0.00 C ATOM 1056 CD GLU A 68 2.003 10.844 4.208 1.00 0.00 C ATOM 1057 OE1 GLU A 68 1.716 12.016 4.266 1.00 0.00 O ATOM 1058 OE2 GLU A 68 2.832 10.330 4.922 1.00 0.00 O ATOM 0 H GLU A 68 1.394 10.095 0.339 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.760 8.956 1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.689 11.617 1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.528 11.096 3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.832 9.139 3.712 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.028 9.570 2.505 1.00 0.00 H new ATOM 1065 N THR A 69 -1.489 11.581 -0.101 1.00 0.00 N ATOM 1066 CA THR A 69 -2.597 12.308 -0.710 1.00 0.00 C ATOM 1067 C THR A 69 -3.391 11.412 -1.652 1.00 0.00 C ATOM 1068 O THR A 69 -4.621 11.456 -1.676 1.00 0.00 O ATOM 1069 CB THR A 69 -2.094 13.546 -1.474 1.00 0.00 C ATOM 1070 OG1 THR A 69 -1.361 14.397 -0.582 1.00 0.00 O ATOM 1071 CG2 THR A 69 -3.263 14.322 -2.061 1.00 0.00 C ATOM 0 H THR A 69 -0.568 11.853 -0.444 1.00 0.00 H new ATOM 0 HA THR A 69 -3.252 12.635 0.098 1.00 0.00 H new ATOM 0 HB THR A 69 -1.446 13.214 -2.286 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.464 14.028 -0.441 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.888 15.194 -2.597 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.816 13.682 -2.749 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.924 14.647 -1.258 1.00 0.00 H new ATOM 1079 N ALA A 70 -2.680 10.600 -2.427 1.00 0.00 N ATOM 1080 CA ALA A 70 -3.318 9.663 -3.344 1.00 0.00 C ATOM 1081 C ALA A 70 -4.221 8.690 -2.597 1.00 0.00 C ATOM 1082 O ALA A 70 -5.341 8.413 -3.027 1.00 0.00 O ATOM 1083 CB ALA A 70 -2.268 8.904 -4.142 1.00 0.00 C ATOM 0 H ALA A 70 -1.660 10.572 -2.438 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.938 10.237 -4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.760 8.209 -4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.667 9.609 -4.716 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.623 8.350 -3.460 1.00 0.00 H new ATOM 1089 N LEU A 71 -3.728 8.174 -1.477 1.00 0.00 N ATOM 1090 CA LEU A 71 -4.499 7.247 -0.656 1.00 0.00 C ATOM 1091 C LEU A 71 -5.696 7.941 -0.018 1.00 0.00 C ATOM 1092 O LEU A 71 -6.775 7.359 0.095 1.00 0.00 O ATOM 1093 CB LEU A 71 -3.609 6.642 0.437 1.00 0.00 C ATOM 1094 CG LEU A 71 -2.520 5.677 -0.050 1.00 0.00 C ATOM 1095 CD1 LEU A 71 -1.608 5.311 1.113 1.00 0.00 C ATOM 1096 CD2 LEU A 71 -3.171 4.437 -0.646 1.00 0.00 C ATOM 0 H LEU A 71 -2.797 8.382 -1.116 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.868 6.452 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.130 7.456 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.245 6.114 1.147 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.917 6.154 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.834 4.625 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.142 6.214 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.193 4.831 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.398 3.751 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.779 3.945 0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.803 4.726 -1.486 1.00 0.00 H new ATOM 1108 N SER A 72 -5.499 9.187 0.397 1.00 0.00 N ATOM 1109 CA SER A 72 -6.588 9.999 0.928 1.00 0.00 C ATOM 1110 C SER A 72 -7.662 10.237 -0.125 1.00 0.00 C ATOM 1111 O SER A 72 -8.856 10.176 0.167 1.00 0.00 O ATOM 1112 CB SER A 72 -6.053 11.327 1.428 1.00 0.00 C ATOM 1113 OG SER A 72 -5.196 11.144 2.521 1.00 0.00 O ATOM 0 H SER A 72 -4.594 9.658 0.376 1.00 0.00 H new ATOM 0 HA SER A 72 -7.039 9.455 1.758 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.519 11.834 0.624 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.883 11.972 1.716 1.00 0.00 H new ATOM 0 HG SER A 72 -4.317 10.849 2.202 1.00 0.00 H new ATOM 1119 N ALA A 73 -7.230 10.508 -1.352 1.00 0.00 N ATOM 1120 CA ALA A 73 -8.152 10.668 -2.471 1.00 0.00 C ATOM 1121 C ALA A 73 -8.949 9.392 -2.714 1.00 0.00 C ATOM 1122 O ALA A 73 -10.156 9.438 -2.947 1.00 0.00 O ATOM 1123 CB ALA A 73 -7.394 11.066 -3.729 1.00 0.00 C ATOM 0 H ALA A 73 -6.246 10.622 -1.597 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.855 11.462 -2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.095 11.182 -4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.876 12.010 -3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.667 10.292 -3.976 1.00 0.00 H new ATOM 1129 N MET A 74 -8.265 8.254 -2.658 1.00 0.00 N ATOM 1130 CA MET A 74 -8.921 6.959 -2.800 1.00 0.00 C ATOM 1131 C MET A 74 -10.027 6.785 -1.767 1.00 0.00 C ATOM 1132 O MET A 74 -11.099 6.264 -2.073 1.00 0.00 O ATOM 1133 CB MET A 74 -7.896 5.833 -2.679 1.00 0.00 C ATOM 1134 CG MET A 74 -8.485 4.433 -2.773 1.00 0.00 C ATOM 1135 SD MET A 74 -7.249 3.141 -2.535 1.00 0.00 S ATOM 1136 CE MET A 74 -6.864 3.356 -0.800 1.00 0.00 C ATOM 0 H MET A 74 -7.256 8.202 -2.515 1.00 0.00 H new ATOM 0 HA MET A 74 -9.378 6.917 -3.789 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.149 5.953 -3.463 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.377 5.932 -1.726 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.269 4.322 -2.024 1.00 0.00 H new ATOM 0 HG3 MET A 74 -8.955 4.306 -3.748 1.00 0.00 H new ATOM 0 HE1 MET A 74 -6.390 2.452 -0.418 1.00 0.00 H new ATOM 0 HE2 MET A 74 -6.185 4.200 -0.680 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.782 3.547 -0.244 1.00 0.00 H new ATOM 1146 N ARG A 75 -9.760 7.225 -0.542 1.00 0.00 N ATOM 1147 CA ARG A 75 -10.689 7.024 0.564 1.00 0.00 C ATOM 1148 C ARG A 75 -11.790 8.076 0.555 1.00 0.00 C ATOM 1149 O ARG A 75 -12.905 7.825 1.013 1.00 0.00 O ATOM 1150 CB ARG A 75 -9.955 7.073 1.895 1.00 0.00 C ATOM 1151 CG ARG A 75 -8.978 5.931 2.130 1.00 0.00 C ATOM 1152 CD ARG A 75 -8.260 6.080 3.421 1.00 0.00 C ATOM 1153 NE ARG A 75 -7.384 7.241 3.424 1.00 0.00 N ATOM 1154 CZ ARG A 75 -6.745 7.714 4.512 1.00 0.00 C ATOM 1155 NH1 ARG A 75 -6.893 7.116 5.673 1.00 0.00 N ATOM 1156 NH2 ARG A 75 -5.969 8.779 4.411 1.00 0.00 N ATOM 0 H ARG A 75 -8.907 7.724 -0.290 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.142 6.041 0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.412 8.016 1.959 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.691 7.074 2.699 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.517 4.983 2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.256 5.896 1.314 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.984 6.170 4.231 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.673 5.182 3.616 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.244 7.731 2.541 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.492 6.294 5.751 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.409 7.474 6.496 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.854 9.243 3.510 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.485 9.137 5.234 1.00 0.00 H new ATOM 1170 N ASN A 76 -11.471 9.255 0.032 1.00 0.00 N ATOM 1171 CA ASN A 76 -12.367 10.402 0.124 1.00 0.00 C ATOM 1172 C ASN A 76 -13.233 10.525 -1.123 1.00 0.00 C ATOM 1173 O ASN A 76 -14.457 10.622 -1.034 1.00 0.00 O ATOM 1174 CB ASN A 76 -11.580 11.678 0.356 1.00 0.00 C ATOM 1175 CG ASN A 76 -11.009 11.761 1.744 1.00 0.00 C ATOM 1176 OD1 ASN A 76 -11.474 11.075 2.662 1.00 0.00 O ATOM 1177 ND2 ASN A 76 -10.009 12.587 1.916 1.00 0.00 N ATOM 0 H ASN A 76 -10.598 9.442 -0.461 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.027 10.244 0.977 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.770 11.738 -0.370 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.228 12.537 0.182 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.581 12.685 2.837 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.658 13.133 1.130 1.00 0.00 H new ATOM 1184 N LEU A 77 -12.591 10.522 -2.286 1.00 0.00 N ATOM 1185 CA LEU A 77 -13.269 10.838 -3.537 1.00 0.00 C ATOM 1186 C LEU A 77 -14.115 9.666 -4.017 1.00 0.00 C ATOM 1187 O LEU A 77 -15.099 9.851 -4.734 1.00 0.00 O ATOM 1188 CB LEU A 77 -12.244 11.212 -4.616 1.00 0.00 C ATOM 1189 CG LEU A 77 -11.462 12.509 -4.370 1.00 0.00 C ATOM 1190 CD1 LEU A 77 -10.428 12.696 -5.472 1.00 0.00 C ATOM 1191 CD2 LEU A 77 -12.428 13.683 -4.321 1.00 0.00 C ATOM 0 H LEU A 77 -11.600 10.304 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.929 11.686 -3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.532 10.393 -4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.764 11.298 -5.570 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.940 12.454 -3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.873 13.617 -5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.739 11.851 -5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -10.931 12.753 -6.437 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.872 14.604 -4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.961 13.755 -5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.144 13.532 -3.513 1.00 0.00 H new ATOM 1203 N ASN A 78 -13.728 8.460 -3.616 1.00 0.00 N ATOM 1204 CA ASN A 78 -14.427 7.252 -4.037 1.00 0.00 C ATOM 1205 C ASN A 78 -15.825 7.187 -3.437 1.00 0.00 C ATOM 1206 O ASN A 78 -15.987 6.953 -2.240 1.00 0.00 O ATOM 1207 CB ASN A 78 -13.628 6.016 -3.665 1.00 0.00 C ATOM 1208 CG ASN A 78 -14.236 4.751 -4.204 1.00 0.00 C ATOM 1209 OD1 ASN A 78 -15.455 4.553 -4.130 1.00 0.00 O ATOM 1210 ND2 ASN A 78 -13.412 3.891 -4.745 1.00 0.00 N ATOM 0 H ASN A 78 -12.933 8.293 -2.999 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.530 7.285 -5.122 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -12.611 6.117 -4.045 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.557 5.947 -2.580 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -13.768 3.015 -5.128 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.414 4.096 -4.784 1.00 0.00 H new ATOM 1217 N GLY A 79 -16.834 7.396 -4.277 1.00 0.00 N ATOM 1218 CA GLY A 79 -18.218 7.424 -3.819 1.00 0.00 C ATOM 1219 C GLY A 79 -18.796 8.831 -3.900 1.00 0.00 C ATOM 1220 O GLY A 79 -19.993 9.034 -3.692 1.00 0.00 O ATOM 0 H GLY A 79 -16.719 7.548 -5.279 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.818 6.746 -4.425 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -18.271 7.065 -2.791 1.00 0.00 H new ATOM 1224 N ARG A 80 -17.940 9.801 -4.205 1.00 0.00 N ATOM 1225 CA ARG A 80 -18.370 11.187 -4.342 1.00 0.00 C ATOM 1226 C ARG A 80 -19.113 11.407 -5.653 1.00 0.00 C ATOM 1227 O ARG A 80 -18.746 10.848 -6.687 1.00 0.00 O ATOM 1228 CB ARG A 80 -17.176 12.127 -4.276 1.00 0.00 C ATOM 1229 CG ARG A 80 -17.521 13.606 -4.340 1.00 0.00 C ATOM 1230 CD ARG A 80 -16.322 14.460 -4.143 1.00 0.00 C ATOM 1231 NE ARG A 80 -16.639 15.875 -4.249 1.00 0.00 N ATOM 1232 CZ ARG A 80 -15.755 16.874 -4.061 1.00 0.00 C ATOM 1233 NH1 ARG A 80 -14.506 16.597 -3.759 1.00 0.00 N ATOM 1234 NH2 ARG A 80 -16.143 18.131 -4.181 1.00 0.00 N ATOM 0 H ARG A 80 -16.943 9.652 -4.362 1.00 0.00 H new ATOM 0 HA ARG A 80 -19.047 11.402 -3.515 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -16.632 11.935 -3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -16.500 11.891 -5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -17.974 13.832 -5.305 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -18.263 13.840 -3.577 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.890 14.258 -3.163 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.566 14.201 -4.885 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.599 16.129 -4.482 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.207 15.626 -3.667 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.836 17.353 -3.617 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.112 18.345 -4.416 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.473 18.887 -4.039 1.00 0.00 H new ATOM 1248 N GLU A 81 -20.160 12.223 -5.605 1.00 0.00 N ATOM 1249 CA GLU A 81 -20.923 12.563 -6.800 1.00 0.00 C ATOM 1250 C GLU A 81 -20.106 13.434 -7.746 1.00 0.00 C ATOM 1251 O GLU A 81 -19.609 14.491 -7.358 1.00 0.00 O ATOM 1252 CB GLU A 81 -22.219 13.283 -6.420 1.00 0.00 C ATOM 1253 CG GLU A 81 -23.123 13.615 -7.598 1.00 0.00 C ATOM 1254 CD GLU A 81 -24.399 14.293 -7.184 1.00 0.00 C ATOM 1255 OE1 GLU A 81 -24.591 14.488 -6.007 1.00 0.00 O ATOM 1256 OE2 GLU A 81 -25.182 14.618 -8.045 1.00 0.00 O ATOM 0 H GLU A 81 -20.500 12.662 -4.750 1.00 0.00 H new ATOM 0 HA GLU A 81 -21.168 11.633 -7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -22.773 12.661 -5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -21.968 14.207 -5.899 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -22.584 14.259 -8.293 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -23.363 12.697 -8.135 1.00 0.00 H new ATOM 1263 N PHE A 82 -19.970 12.983 -8.989 1.00 0.00 N ATOM 1264 CA PHE A 82 -19.294 13.764 -10.017 1.00 0.00 C ATOM 1265 C PHE A 82 -20.206 14.005 -11.214 1.00 0.00 C ATOM 1266 O PHE A 82 -20.303 13.167 -12.111 1.00 0.00 O ATOM 1267 CB PHE A 82 -18.019 13.054 -10.476 1.00 0.00 C ATOM 1268 CG PHE A 82 -17.204 13.847 -11.457 1.00 0.00 C ATOM 1269 CD1 PHE A 82 -17.171 15.232 -11.395 1.00 0.00 C ATOM 1270 CD2 PHE A 82 -16.468 13.210 -12.445 1.00 0.00 C ATOM 1271 CE1 PHE A 82 -16.422 15.963 -12.297 1.00 0.00 C ATOM 1272 CE2 PHE A 82 -15.717 13.938 -13.348 1.00 0.00 C ATOM 1273 CZ PHE A 82 -15.694 15.316 -13.273 1.00 0.00 C ATOM 0 H PHE A 82 -20.320 12.080 -9.308 1.00 0.00 H new ATOM 0 HA PHE A 82 -19.032 14.728 -9.582 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -17.404 12.831 -9.604 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -18.288 12.100 -10.929 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -17.738 15.745 -10.632 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -16.482 12.132 -12.509 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -16.407 17.041 -12.238 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -15.148 13.429 -14.112 1.00 0.00 H new ATOM 0 HZ PHE A 82 -15.107 15.886 -13.977 1.00 0.00 H new ATOM 1283 N SER A 83 -20.872 15.154 -11.222 1.00 0.00 N ATOM 1284 CA SER A 83 -21.874 15.452 -12.239 1.00 0.00 C ATOM 1285 C SER A 83 -22.911 14.340 -12.333 1.00 0.00 C ATOM 1286 O SER A 83 -23.409 14.033 -13.416 1.00 0.00 O ATOM 1287 CB SER A 83 -21.207 15.649 -13.586 1.00 0.00 C ATOM 1288 OG SER A 83 -20.312 16.727 -13.551 1.00 0.00 O ATOM 0 H SER A 83 -20.736 15.895 -10.535 1.00 0.00 H new ATOM 0 HA SER A 83 -22.384 16.371 -11.950 1.00 0.00 H new ATOM 0 HB2 SER A 83 -20.676 14.740 -13.869 1.00 0.00 H new ATOM 0 HB3 SER A 83 -21.965 15.826 -14.349 1.00 0.00 H new ATOM 0 HG SER A 83 -19.893 16.833 -14.431 1.00 0.00 H new ATOM 1294 N GLY A 84 -23.232 13.740 -11.192 1.00 0.00 N ATOM 1295 CA GLY A 84 -24.307 12.757 -11.120 1.00 0.00 C ATOM 1296 C GLY A 84 -23.754 11.338 -11.091 1.00 0.00 C ATOM 1297 O GLY A 84 -24.464 10.392 -10.748 1.00 0.00 O ATOM 0 H GLY A 84 -22.763 13.917 -10.304 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -24.907 12.935 -10.227 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -24.969 12.875 -11.978 1.00 0.00 H new ATOM 1301 N ARG A 85 -22.484 11.195 -11.453 1.00 0.00 N ATOM 1302 CA ARG A 85 -21.859 9.882 -11.555 1.00 0.00 C ATOM 1303 C ARG A 85 -21.120 9.522 -10.272 1.00 0.00 C ATOM 1304 O ARG A 85 -20.506 10.380 -9.637 1.00 0.00 O ATOM 1305 CB ARG A 85 -20.887 9.841 -12.725 1.00 0.00 C ATOM 1306 CG ARG A 85 -21.517 10.081 -14.088 1.00 0.00 C ATOM 1307 CD ARG A 85 -22.429 8.974 -14.474 1.00 0.00 C ATOM 1308 NE ARG A 85 -22.999 9.177 -15.796 1.00 0.00 N ATOM 1309 CZ ARG A 85 -23.864 8.335 -16.394 1.00 0.00 C ATOM 1310 NH1 ARG A 85 -24.249 7.240 -15.776 1.00 0.00 N ATOM 1311 NH2 ARG A 85 -24.327 8.610 -17.601 1.00 0.00 N ATOM 0 H ARG A 85 -21.866 11.974 -11.681 1.00 0.00 H new ATOM 0 HA ARG A 85 -22.653 9.154 -11.718 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -20.112 10.590 -12.562 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -20.393 8.869 -12.735 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -22.070 11.020 -14.073 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -20.733 10.185 -14.838 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -21.883 8.031 -14.455 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -23.232 8.893 -13.741 1.00 0.00 H new ATOM 0 HE ARG A 85 -22.725 10.016 -16.307 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -23.893 7.028 -14.844 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -24.904 6.602 -16.229 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -24.029 9.460 -18.080 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -24.982 7.972 -18.054 1.00 0.00 H new ATOM 1325 N ALA A 86 -21.182 8.249 -9.897 1.00 0.00 N ATOM 1326 CA ALA A 86 -20.469 7.762 -8.722 1.00 0.00 C ATOM 1327 C ALA A 86 -18.965 7.740 -8.960 1.00 0.00 C ATOM 1328 O ALA A 86 -18.408 6.725 -9.379 1.00 0.00 O ATOM 1329 CB ALA A 86 -20.965 6.374 -8.340 1.00 0.00 C ATOM 0 H ALA A 86 -21.719 7.536 -10.390 1.00 0.00 H new ATOM 0 HA ALA A 86 -20.669 8.447 -7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -20.424 6.023 -7.461 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -22.031 6.417 -8.116 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -20.796 5.686 -9.169 1.00 0.00 H new ATOM 1335 N LEU A 87 -18.312 8.865 -8.690 1.00 0.00 N ATOM 1336 CA LEU A 87 -16.872 8.982 -8.889 1.00 0.00 C ATOM 1337 C LEU A 87 -16.130 7.826 -8.231 1.00 0.00 C ATOM 1338 O LEU A 87 -16.081 7.725 -7.005 1.00 0.00 O ATOM 1339 CB LEU A 87 -16.365 10.313 -8.322 1.00 0.00 C ATOM 1340 CG LEU A 87 -14.880 10.616 -8.560 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -14.629 10.785 -10.052 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -14.488 11.870 -7.793 1.00 0.00 C ATOM 0 H LEU A 87 -18.758 9.710 -8.332 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.678 8.949 -9.961 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -16.955 11.120 -8.756 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -16.551 10.324 -7.248 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.268 9.789 -8.200 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.574 11.000 -10.221 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.900 9.867 -10.573 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.233 11.609 -10.431 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.433 12.085 -7.962 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -15.090 12.711 -8.138 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -14.660 11.714 -6.728 1.00 0.00 H new ATOM 1354 N ARG A 88 -15.552 6.956 -9.052 1.00 0.00 N ATOM 1355 CA ARG A 88 -14.751 5.845 -8.551 1.00 0.00 C ATOM 1356 C ARG A 88 -13.267 6.187 -8.565 1.00 0.00 C ATOM 1357 O ARG A 88 -12.706 6.522 -9.608 1.00 0.00 O ATOM 1358 CB ARG A 88 -14.989 4.595 -9.385 1.00 0.00 C ATOM 1359 CG ARG A 88 -14.168 3.384 -8.971 1.00 0.00 C ATOM 1360 CD ARG A 88 -14.390 2.232 -9.882 1.00 0.00 C ATOM 1361 NE ARG A 88 -13.514 1.115 -9.567 1.00 0.00 N ATOM 1362 CZ ARG A 88 -13.378 0.011 -10.328 1.00 0.00 C ATOM 1363 NH1 ARG A 88 -14.065 -0.108 -11.442 1.00 0.00 N ATOM 1364 NH2 ARG A 88 -12.554 -0.951 -9.954 1.00 0.00 N ATOM 0 H ARG A 88 -15.623 6.999 -10.069 1.00 0.00 H new ATOM 0 HA ARG A 88 -15.058 5.657 -7.522 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -16.046 4.335 -9.330 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.771 4.825 -10.428 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.110 3.646 -8.967 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.430 3.098 -7.952 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -15.429 1.909 -9.813 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.222 2.546 -10.912 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.964 1.171 -8.710 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.701 0.635 -11.731 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.962 -0.944 -12.018 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -12.021 -0.858 -9.089 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -12.451 -1.787 -10.530 1.00 0.00 H new ATOM 1378 N VAL A 89 -12.634 6.099 -7.400 1.00 0.00 N ATOM 1379 CA VAL A 89 -11.198 6.324 -7.289 1.00 0.00 C ATOM 1380 C VAL A 89 -10.514 5.172 -6.564 1.00 0.00 C ATOM 1381 O VAL A 89 -10.650 5.022 -5.350 1.00 0.00 O ATOM 1382 CB VAL A 89 -10.918 7.638 -6.536 1.00 0.00 C ATOM 1383 CG1 VAL A 89 -9.420 7.878 -6.421 1.00 0.00 C ATOM 1384 CG2 VAL A 89 -11.597 8.798 -7.249 1.00 0.00 C ATOM 0 H VAL A 89 -13.094 5.873 -6.518 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.795 6.389 -8.300 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.325 7.561 -5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.241 8.811 -5.886 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.960 7.053 -5.876 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.984 7.942 -7.418 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.395 9.724 -6.711 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.211 8.877 -8.265 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -12.673 8.625 -7.282 1.00 0.00 H new ATOM 1394 N ASP A 90 -9.779 4.359 -7.316 1.00 0.00 N ATOM 1395 CA ASP A 90 -9.007 3.267 -6.735 1.00 0.00 C ATOM 1396 C ASP A 90 -7.562 3.298 -7.213 1.00 0.00 C ATOM 1397 O ASP A 90 -7.289 3.585 -8.379 1.00 0.00 O ATOM 1398 CB ASP A 90 -9.639 1.918 -7.087 1.00 0.00 C ATOM 1399 CG ASP A 90 -10.995 1.708 -6.427 1.00 0.00 C ATOM 1400 OD1 ASP A 90 -11.061 1.759 -5.221 1.00 0.00 O ATOM 1401 OD2 ASP A 90 -11.951 1.498 -7.134 1.00 0.00 O ATOM 0 H ASP A 90 -9.702 4.436 -8.330 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.015 3.396 -5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.752 1.847 -8.169 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.965 1.117 -6.784 1.00 0.00 H new ATOM 1406 N ASN A 91 -6.637 3.001 -6.306 1.00 0.00 N ATOM 1407 CA ASN A 91 -5.213 3.111 -6.599 1.00 0.00 C ATOM 1408 C ASN A 91 -4.841 2.303 -7.836 1.00 0.00 C ATOM 1409 O ASN A 91 -5.182 1.125 -7.945 1.00 0.00 O ATOM 1410 CB ASN A 91 -4.387 2.670 -5.405 1.00 0.00 C ATOM 1411 CG ASN A 91 -2.942 3.070 -5.523 1.00 0.00 C ATOM 1412 OD1 ASN A 91 -2.241 2.644 -6.447 1.00 0.00 O ATOM 1413 ND2 ASN A 91 -2.484 3.880 -4.603 1.00 0.00 N ATOM 0 H ASN A 91 -6.849 2.682 -5.361 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.993 4.159 -6.805 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.807 3.103 -4.497 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.453 1.587 -5.302 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.511 4.185 -4.631 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.100 4.206 -3.858 1.00 0.00 H new ATOM 1420 N ALA A 92 -4.141 2.943 -8.766 1.00 0.00 N ATOM 1421 CA ALA A 92 -3.901 2.361 -10.081 1.00 0.00 C ATOM 1422 C ALA A 92 -2.951 1.174 -9.993 1.00 0.00 C ATOM 1423 O ALA A 92 -2.855 0.374 -10.923 1.00 0.00 O ATOM 1424 CB ALA A 92 -3.349 3.412 -11.033 1.00 0.00 C ATOM 0 H ALA A 92 -3.729 3.867 -8.633 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.854 2.001 -10.468 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.175 2.962 -12.010 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.066 4.227 -11.131 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -2.410 3.801 -10.640 1.00 0.00 H new ATOM 1430 N ALA A 93 -2.250 1.066 -8.870 1.00 0.00 N ATOM 1431 CA ALA A 93 -1.289 -0.012 -8.668 1.00 0.00 C ATOM 1432 C ALA A 93 -1.995 -1.339 -8.416 1.00 0.00 C ATOM 1433 O ALA A 93 -1.380 -2.403 -8.485 1.00 0.00 O ATOM 1434 CB ALA A 93 -0.357 0.319 -7.511 1.00 0.00 C ATOM 0 H ALA A 93 -2.329 1.712 -8.085 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.699 -0.112 -9.579 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.354 -0.495 -7.373 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.183 1.240 -7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.941 0.450 -6.600 1.00 0.00 H new