USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 461 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 114 GLN :FLIP amide:sc= -1.1! C(o=-9!,f=-2.6!) USER MOD Set 1.2: A 127 TYR OH : rot 74:sc= 0.422 USER MOD Set 1.3: A 131 ASN : amide:sc= -1.88! C(o=-2.6!,f=-3.7!) USER MOD Single : A 88 CYS SG : rot 9:sc= 0.137 USER MOD Single : A 95 LYS NZ :NH3+ 162:sc= -0.0341 (180deg=-0.526) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 101 LYS NZ :NH3+ -121:sc= -0.084 (180deg=-0.66) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= -0.282 USER MOD Single : A 112 SER OG : rot -84:sc= 0.215 USER MOD Single : A 117 LYS NZ :NH3+ -100:sc= 0.75 (180deg=-0.899!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= -0.0444 K(o=-0.044,f=-1.8!) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= -0.0271 USER MOD Single : A 137 LYS NZ :NH3+ -159:sc= -0.0782 (180deg=-0.568) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 87 25.966 -0.479 -25.434 1.00 0.00 N ATOM 135 CA PRO A 87 27.106 -0.710 -26.369 1.00 0.00 C ATOM 136 C PRO A 87 26.796 -0.228 -27.783 1.00 0.00 C ATOM 137 O PRO A 87 25.636 -0.152 -28.182 1.00 0.00 O ATOM 138 CB PRO A 87 27.307 -2.225 -26.332 1.00 0.00 C ATOM 139 CG PRO A 87 25.989 -2.788 -25.921 1.00 0.00 C ATOM 140 CD PRO A 87 25.324 -1.742 -25.031 1.00 0.00 C ATOM 0 HA PRO A 87 27.997 -0.155 -26.075 1.00 0.00 H new ATOM 0 HB2 PRO A 87 27.610 -2.605 -27.308 1.00 0.00 H new ATOM 0 HB3 PRO A 87 28.090 -2.501 -25.625 1.00 0.00 H new ATOM 0 HG2 PRO A 87 25.371 -3.003 -26.793 1.00 0.00 H new ATOM 0 HG3 PRO A 87 26.120 -3.727 -25.383 1.00 0.00 H new ATOM 0 HD2 PRO A 87 24.246 -1.711 -25.188 1.00 0.00 H new ATOM 0 HD3 PRO A 87 25.487 -1.954 -23.974 1.00 0.00 H new ATOM 148 N CYS A 88 27.843 0.099 -28.533 1.00 0.00 N ATOM 149 CA CYS A 88 27.670 0.579 -29.898 1.00 0.00 C ATOM 150 C CYS A 88 26.926 -0.451 -30.742 1.00 0.00 C ATOM 151 O CYS A 88 26.960 -1.647 -30.452 1.00 0.00 O ATOM 152 CB CYS A 88 29.035 0.863 -30.529 1.00 0.00 C ATOM 153 SG CYS A 88 29.917 -0.696 -30.787 1.00 0.00 S ATOM 0 H CYS A 88 28.813 0.041 -28.222 1.00 0.00 H new ATOM 0 HA CYS A 88 27.084 1.497 -29.866 1.00 0.00 H new ATOM 0 HB2 CYS A 88 28.907 1.382 -31.479 1.00 0.00 H new ATOM 0 HB3 CYS A 88 29.617 1.520 -29.882 1.00 0.00 H new ATOM 0 HG CYS A 88 29.112 -1.692 -30.563 1.00 0.00 H new ATOM 159 N GLY A 89 26.249 0.022 -31.782 1.00 0.00 N ATOM 160 CA GLY A 89 25.495 -0.863 -32.661 1.00 0.00 C ATOM 161 C GLY A 89 24.004 -0.813 -32.346 1.00 0.00 C ATOM 162 O GLY A 89 23.175 -1.175 -33.177 1.00 0.00 O ATOM 0 H GLY A 89 26.207 1.009 -32.036 1.00 0.00 H new ATOM 0 HA2 GLY A 89 25.660 -0.575 -33.699 1.00 0.00 H new ATOM 0 HA3 GLY A 89 25.859 -1.885 -32.552 1.00 0.00 H new ATOM 166 N TRP A 90 23.676 -0.354 -31.145 1.00 0.00 N ATOM 167 CA TRP A 90 22.282 -0.247 -30.726 1.00 0.00 C ATOM 168 C TRP A 90 21.897 1.210 -30.498 1.00 0.00 C ATOM 169 O TRP A 90 22.739 2.034 -30.141 1.00 0.00 O ATOM 170 CB TRP A 90 22.055 -1.045 -29.446 1.00 0.00 C ATOM 171 CG TRP A 90 22.106 -2.507 -29.755 1.00 0.00 C ATOM 172 CD1 TRP A 90 23.208 -3.285 -29.656 1.00 0.00 C ATOM 173 CD2 TRP A 90 21.030 -3.379 -30.208 1.00 0.00 C ATOM 174 NE1 TRP A 90 22.876 -4.579 -30.020 1.00 0.00 N ATOM 175 CE2 TRP A 90 21.544 -4.687 -30.368 1.00 0.00 C ATOM 176 CE3 TRP A 90 19.668 -3.164 -30.493 1.00 0.00 C ATOM 177 CZ2 TRP A 90 20.739 -5.743 -30.796 1.00 0.00 C ATOM 178 CZ3 TRP A 90 18.855 -4.225 -30.923 1.00 0.00 C ATOM 179 CH2 TRP A 90 19.390 -5.512 -31.074 1.00 0.00 C ATOM 0 H TRP A 90 24.353 -0.050 -30.445 1.00 0.00 H new ATOM 0 HA TRP A 90 21.656 -0.654 -31.520 1.00 0.00 H new ATOM 0 HB2 TRP A 90 22.815 -0.792 -28.707 1.00 0.00 H new ATOM 0 HB3 TRP A 90 21.089 -0.788 -29.011 1.00 0.00 H new ATOM 0 HD1 TRP A 90 24.187 -2.951 -29.344 1.00 0.00 H new ATOM 0 HE1 TRP A 90 23.535 -5.358 -30.030 1.00 0.00 H new ATOM 0 HE3 TRP A 90 19.246 -2.176 -30.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 21.156 -6.732 -30.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 17.812 -4.049 -31.139 1.00 0.00 H new ATOM 0 HH2 TRP A 90 18.760 -6.324 -31.405 1.00 0.00 H new ATOM 190 N GLU A 91 20.620 1.523 -30.705 1.00 0.00 N ATOM 191 CA GLU A 91 20.134 2.884 -30.510 1.00 0.00 C ATOM 192 C GLU A 91 18.993 2.900 -29.497 1.00 0.00 C ATOM 193 O GLU A 91 18.276 1.914 -29.344 1.00 0.00 O ATOM 194 CB GLU A 91 19.647 3.463 -31.837 1.00 0.00 C ATOM 195 CG GLU A 91 20.794 3.442 -32.849 1.00 0.00 C ATOM 196 CD GLU A 91 21.910 4.377 -32.394 1.00 0.00 C ATOM 197 OE1 GLU A 91 21.623 5.284 -31.631 1.00 0.00 O ATOM 198 OE2 GLU A 91 23.037 4.169 -32.811 1.00 0.00 O ATOM 0 H GLU A 91 19.908 0.857 -31.006 1.00 0.00 H new ATOM 0 HA GLU A 91 20.955 3.493 -30.131 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.804 2.883 -32.213 1.00 0.00 H new ATOM 0 HB3 GLU A 91 19.292 4.484 -31.693 1.00 0.00 H new ATOM 0 HG2 GLU A 91 21.179 2.428 -32.954 1.00 0.00 H new ATOM 0 HG3 GLU A 91 20.430 3.748 -33.830 1.00 0.00 H new ATOM 205 N ARG A 92 18.835 4.028 -28.807 1.00 0.00 N ATOM 206 CA ARG A 92 17.779 4.163 -27.809 1.00 0.00 C ATOM 207 C ARG A 92 16.942 5.409 -28.081 1.00 0.00 C ATOM 208 O ARG A 92 17.478 6.505 -28.230 1.00 0.00 O ATOM 209 CB ARG A 92 18.391 4.248 -26.411 1.00 0.00 C ATOM 210 CG ARG A 92 17.274 4.389 -25.373 1.00 0.00 C ATOM 211 CD ARG A 92 17.760 3.849 -24.027 1.00 0.00 C ATOM 212 NE ARG A 92 17.835 2.392 -24.068 1.00 0.00 N ATOM 213 CZ ARG A 92 18.381 1.703 -23.073 1.00 0.00 C ATOM 214 NH1 ARG A 92 18.866 2.328 -22.035 1.00 0.00 N ATOM 215 NH2 ARG A 92 18.434 0.400 -23.133 1.00 0.00 N ATOM 0 H ARG A 92 19.421 4.855 -28.920 1.00 0.00 H new ATOM 0 HA ARG A 92 17.133 3.287 -27.868 1.00 0.00 H new ATOM 0 HB2 ARG A 92 18.982 3.355 -26.206 1.00 0.00 H new ATOM 0 HB3 ARG A 92 19.068 5.100 -26.350 1.00 0.00 H new ATOM 0 HG2 ARG A 92 16.984 5.435 -25.274 1.00 0.00 H new ATOM 0 HG3 ARG A 92 16.389 3.842 -25.698 1.00 0.00 H new ATOM 0 HD2 ARG A 92 18.740 4.265 -23.792 1.00 0.00 H new ATOM 0 HD3 ARG A 92 17.082 4.164 -23.234 1.00 0.00 H new ATOM 0 HE ARG A 92 17.461 1.894 -24.876 1.00 0.00 H new ATOM 0 HH11 ARG A 92 18.826 3.346 -21.988 1.00 0.00 H new ATOM 0 HH12 ARG A 92 19.285 1.798 -21.271 1.00 0.00 H new ATOM 0 HH21 ARG A 92 18.056 -0.089 -23.944 1.00 0.00 H new ATOM 0 HH22 ARG A 92 18.854 -0.129 -22.368 1.00 0.00 H new ATOM 229 N VAL A 93 15.628 5.227 -28.146 1.00 0.00 N ATOM 230 CA VAL A 93 14.717 6.336 -28.404 1.00 0.00 C ATOM 231 C VAL A 93 13.664 6.437 -27.309 1.00 0.00 C ATOM 232 O VAL A 93 13.195 5.421 -26.796 1.00 0.00 O ATOM 233 CB VAL A 93 14.033 6.149 -29.756 1.00 0.00 C ATOM 234 CG1 VAL A 93 12.833 7.091 -29.853 1.00 0.00 C ATOM 235 CG2 VAL A 93 15.025 6.479 -30.878 1.00 0.00 C ATOM 0 H VAL A 93 15.170 4.324 -28.024 1.00 0.00 H new ATOM 0 HA VAL A 93 15.298 7.258 -28.416 1.00 0.00 H new ATOM 0 HB VAL A 93 13.698 5.117 -29.854 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.344 6.959 -30.818 1.00 0.00 H new ATOM 0 HG12 VAL A 93 12.127 6.864 -29.054 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.172 8.123 -29.756 1.00 0.00 H new ATOM 0 HG21 VAL A 93 14.539 6.346 -31.844 1.00 0.00 H new ATOM 0 HG22 VAL A 93 15.357 7.512 -30.778 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.885 5.813 -30.810 1.00 0.00 H new ATOM 245 N VAL A 94 13.298 7.667 -26.956 1.00 0.00 N ATOM 246 CA VAL A 94 12.292 7.885 -25.924 1.00 0.00 C ATOM 247 C VAL A 94 11.103 8.654 -26.491 1.00 0.00 C ATOM 248 O VAL A 94 11.269 9.721 -27.082 1.00 0.00 O ATOM 249 CB VAL A 94 12.900 8.668 -24.760 1.00 0.00 C ATOM 250 CG1 VAL A 94 14.061 7.873 -24.161 1.00 0.00 C ATOM 251 CG2 VAL A 94 13.416 10.017 -25.269 1.00 0.00 C ATOM 0 H VAL A 94 13.680 8.519 -27.366 1.00 0.00 H new ATOM 0 HA VAL A 94 11.947 6.915 -25.567 1.00 0.00 H new ATOM 0 HB VAL A 94 12.140 8.832 -23.996 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.494 8.431 -23.331 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.696 6.912 -23.800 1.00 0.00 H new ATOM 0 HG13 VAL A 94 14.822 7.709 -24.924 1.00 0.00 H new ATOM 0 HG21 VAL A 94 13.850 10.577 -24.440 1.00 0.00 H new ATOM 0 HG22 VAL A 94 14.176 9.851 -26.032 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.590 10.585 -25.697 1.00 0.00 H new ATOM 261 N LYS A 95 9.905 8.105 -26.305 1.00 0.00 N ATOM 262 CA LYS A 95 8.696 8.750 -26.802 1.00 0.00 C ATOM 263 C LYS A 95 7.700 8.966 -25.666 1.00 0.00 C ATOM 264 O LYS A 95 7.388 8.040 -24.918 1.00 0.00 O ATOM 265 CB LYS A 95 8.051 7.883 -27.887 1.00 0.00 C ATOM 266 CG LYS A 95 6.842 8.615 -28.475 1.00 0.00 C ATOM 267 CD LYS A 95 6.208 7.757 -29.571 1.00 0.00 C ATOM 268 CE LYS A 95 4.991 8.483 -30.148 1.00 0.00 C ATOM 269 NZ LYS A 95 5.431 9.748 -30.801 1.00 0.00 N ATOM 0 H LYS A 95 9.747 7.223 -25.818 1.00 0.00 H new ATOM 0 HA LYS A 95 8.969 9.718 -27.223 1.00 0.00 H new ATOM 0 HB2 LYS A 95 8.775 7.666 -28.672 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.741 6.926 -27.466 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.112 8.821 -27.692 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.150 9.577 -28.884 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.935 7.560 -30.359 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.909 6.791 -29.164 1.00 0.00 H new ATOM 0 HE2 LYS A 95 4.483 7.845 -30.871 1.00 0.00 H new ATOM 0 HE3 LYS A 95 4.274 8.700 -29.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.686 10.084 -31.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.613 10.469 -30.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.302 9.575 -31.342 1.00 0.00 H new ATOM 283 N GLN A 96 7.211 10.195 -25.545 1.00 0.00 N ATOM 284 CA GLN A 96 6.253 10.527 -24.495 1.00 0.00 C ATOM 285 C GLN A 96 4.865 10.766 -25.089 1.00 0.00 C ATOM 286 O GLN A 96 4.737 11.349 -26.162 1.00 0.00 O ATOM 287 CB GLN A 96 6.714 11.779 -23.745 1.00 0.00 C ATOM 288 CG GLN A 96 5.788 12.029 -22.552 1.00 0.00 C ATOM 289 CD GLN A 96 6.247 13.264 -21.787 1.00 0.00 C ATOM 290 OE1 GLN A 96 6.632 14.265 -22.393 1.00 0.00 O ATOM 291 NE2 GLN A 96 6.228 13.258 -20.482 1.00 0.00 N ATOM 0 H GLN A 96 7.459 10.973 -26.156 1.00 0.00 H new ATOM 0 HA GLN A 96 6.197 9.688 -23.801 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.741 11.653 -23.402 1.00 0.00 H new ATOM 0 HB3 GLN A 96 6.705 12.640 -24.413 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.764 12.165 -22.898 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.789 11.161 -21.892 1.00 0.00 H new ATOM 0 HE21 GLN A 96 5.909 12.429 -19.980 1.00 0.00 H new ATOM 0 HE22 GLN A 96 6.532 14.082 -19.964 1.00 0.00 H new ATOM 300 N ARG A 97 3.840 10.309 -24.378 1.00 0.00 N ATOM 301 CA ARG A 97 2.465 10.485 -24.836 1.00 0.00 C ATOM 302 C ARG A 97 1.939 11.858 -24.428 1.00 0.00 C ATOM 303 O ARG A 97 1.891 12.187 -23.245 1.00 0.00 O ATOM 304 CB ARG A 97 1.571 9.398 -24.250 1.00 0.00 C ATOM 305 CG ARG A 97 1.595 8.169 -25.162 1.00 0.00 C ATOM 306 CD ARG A 97 0.675 7.092 -24.591 1.00 0.00 C ATOM 307 NE ARG A 97 1.401 6.258 -23.639 1.00 0.00 N ATOM 308 CZ ARG A 97 0.769 5.356 -22.893 1.00 0.00 C ATOM 309 NH1 ARG A 97 -0.522 5.208 -23.003 1.00 0.00 N ATOM 310 NH2 ARG A 97 1.443 4.615 -22.057 1.00 0.00 N ATOM 0 H ARG A 97 3.933 9.818 -23.489 1.00 0.00 H new ATOM 0 HA ARG A 97 2.453 10.410 -25.923 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.915 9.129 -23.251 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.551 9.768 -24.147 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.272 8.442 -26.167 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.612 7.786 -25.247 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.179 7.557 -24.099 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.281 6.475 -25.399 1.00 0.00 H new ATOM 0 HE ARG A 97 2.411 6.369 -23.544 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -1.047 5.784 -23.661 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -1.007 4.516 -22.431 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.454 4.728 -21.976 1.00 0.00 H new ATOM 0 HH22 ARG A 97 0.959 3.923 -21.484 1.00 0.00 H new ATOM 324 N LEU A 98 1.554 12.657 -25.419 1.00 0.00 N ATOM 325 CA LEU A 98 1.040 13.996 -25.157 1.00 0.00 C ATOM 326 C LEU A 98 -0.463 14.055 -25.380 1.00 0.00 C ATOM 327 O LEU A 98 -1.077 15.112 -25.227 1.00 0.00 O ATOM 328 CB LEU A 98 1.736 15.014 -26.069 1.00 0.00 C ATOM 329 CG LEU A 98 3.094 15.399 -25.474 1.00 0.00 C ATOM 330 CD1 LEU A 98 2.880 16.170 -24.168 1.00 0.00 C ATOM 331 CD2 LEU A 98 3.908 14.135 -25.192 1.00 0.00 C ATOM 0 H LEU A 98 1.588 12.402 -26.406 1.00 0.00 H new ATOM 0 HA LEU A 98 1.246 14.240 -24.115 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.871 14.591 -27.065 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.113 15.901 -26.181 1.00 0.00 H new ATOM 0 HG LEU A 98 3.634 16.027 -26.183 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.846 16.444 -23.745 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.303 17.073 -24.369 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.338 15.543 -23.460 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.874 14.411 -24.769 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.369 13.505 -24.485 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.063 13.587 -26.121 1.00 0.00 H new ATOM 343 N PHE A 99 -1.044 12.921 -25.748 1.00 0.00 N ATOM 344 CA PHE A 99 -2.478 12.863 -26.005 1.00 0.00 C ATOM 345 C PHE A 99 -3.116 11.719 -25.225 1.00 0.00 C ATOM 346 O PHE A 99 -2.514 10.657 -25.057 1.00 0.00 O ATOM 347 CB PHE A 99 -2.724 12.652 -27.502 1.00 0.00 C ATOM 348 CG PHE A 99 -2.065 13.766 -28.282 1.00 0.00 C ATOM 349 CD1 PHE A 99 -2.755 14.959 -28.524 1.00 0.00 C ATOM 350 CD2 PHE A 99 -0.760 13.600 -28.760 1.00 0.00 C ATOM 351 CE1 PHE A 99 -2.140 15.988 -29.247 1.00 0.00 C ATOM 352 CE2 PHE A 99 -0.143 14.631 -29.484 1.00 0.00 C ATOM 353 CZ PHE A 99 -0.834 15.825 -29.726 1.00 0.00 C ATOM 0 H PHE A 99 -0.551 12.037 -25.874 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.926 13.803 -25.684 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.323 11.688 -27.815 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.794 12.634 -27.707 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.761 15.086 -28.153 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.229 12.679 -28.572 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.673 16.908 -29.436 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.864 14.504 -29.854 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.360 16.620 -30.282 1.00 0.00 H new ATOM 363 N GLY A 100 -4.334 11.944 -24.747 1.00 0.00 N ATOM 364 CA GLY A 100 -5.045 10.927 -23.981 1.00 0.00 C ATOM 365 C GLY A 100 -5.023 11.249 -22.490 1.00 0.00 C ATOM 366 O GLY A 100 -4.193 12.026 -22.023 1.00 0.00 O ATOM 0 H GLY A 100 -4.848 12.816 -24.875 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -6.077 10.861 -24.327 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.588 9.952 -24.153 1.00 0.00 H new ATOM 370 N LYS A 101 -5.949 10.652 -21.747 1.00 0.00 N ATOM 371 CA LYS A 101 -6.030 10.884 -20.310 1.00 0.00 C ATOM 372 C LYS A 101 -4.846 10.238 -19.596 1.00 0.00 C ATOM 373 O LYS A 101 -4.345 10.761 -18.604 1.00 0.00 O ATOM 374 CB LYS A 101 -7.339 10.314 -19.761 1.00 0.00 C ATOM 375 CG LYS A 101 -7.705 11.040 -18.462 1.00 0.00 C ATOM 376 CD LYS A 101 -8.960 10.403 -17.861 1.00 0.00 C ATOM 377 CE LYS A 101 -8.552 9.285 -16.899 1.00 0.00 C ATOM 378 NZ LYS A 101 -7.900 9.877 -15.697 1.00 0.00 N ATOM 0 H LYS A 101 -6.650 10.008 -22.113 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.003 11.959 -20.131 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.136 10.433 -20.494 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.234 9.245 -19.576 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -6.879 10.980 -17.754 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.880 12.098 -18.660 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.546 11.156 -17.334 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.593 10.003 -18.653 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.428 8.707 -16.603 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.868 8.596 -17.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -6.936 9.499 -15.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.858 10.911 -15.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.450 9.634 -14.849 1.00 0.00 H new ATOM 392 N THR A 102 -4.411 9.091 -20.107 1.00 0.00 N ATOM 393 CA THR A 102 -3.292 8.374 -19.507 1.00 0.00 C ATOM 394 C THR A 102 -1.967 8.944 -19.999 1.00 0.00 C ATOM 395 O THR A 102 -0.896 8.459 -19.635 1.00 0.00 O ATOM 396 CB THR A 102 -3.371 6.886 -19.862 1.00 0.00 C ATOM 397 OG1 THR A 102 -3.311 6.734 -21.273 1.00 0.00 O ATOM 398 CG2 THR A 102 -4.685 6.304 -19.339 1.00 0.00 C ATOM 0 H THR A 102 -4.813 8.641 -20.929 1.00 0.00 H new ATOM 0 HA THR A 102 -3.349 8.492 -18.425 1.00 0.00 H new ATOM 0 HB THR A 102 -2.535 6.358 -19.404 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.360 5.782 -21.502 1.00 0.00 H new ATOM 0 HG21 THR A 102 -4.740 5.245 -19.592 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.729 6.421 -18.256 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.523 6.830 -19.795 1.00 0.00 H new ATOM 406 N ALA A 103 -2.045 9.974 -20.833 1.00 0.00 N ATOM 407 CA ALA A 103 -0.845 10.603 -21.373 1.00 0.00 C ATOM 408 C ALA A 103 0.003 11.198 -20.254 1.00 0.00 C ATOM 409 O ALA A 103 -0.525 11.681 -19.254 1.00 0.00 O ATOM 410 CB ALA A 103 -1.230 11.705 -22.360 1.00 0.00 C ATOM 0 H ALA A 103 -2.921 10.390 -21.149 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.262 9.839 -21.888 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.327 12.169 -22.758 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.808 11.275 -23.178 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.830 12.458 -21.849 1.00 0.00 H new ATOM 416 N GLY A 104 1.319 11.155 -20.432 1.00 0.00 N ATOM 417 CA GLY A 104 2.236 11.694 -19.433 1.00 0.00 C ATOM 418 C GLY A 104 3.258 10.647 -19.002 1.00 0.00 C ATOM 419 O GLY A 104 4.291 10.980 -18.424 1.00 0.00 O ATOM 0 H GLY A 104 1.773 10.755 -21.253 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.752 12.564 -19.840 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.673 12.035 -18.565 1.00 0.00 H new ATOM 423 N ARG A 105 2.966 9.387 -19.302 1.00 0.00 N ATOM 424 CA ARG A 105 3.878 8.300 -18.958 1.00 0.00 C ATOM 425 C ARG A 105 5.112 8.337 -19.846 1.00 0.00 C ATOM 426 O ARG A 105 5.210 9.163 -20.756 1.00 0.00 O ATOM 427 CB ARG A 105 3.170 6.954 -19.116 1.00 0.00 C ATOM 428 CG ARG A 105 2.632 6.496 -17.760 1.00 0.00 C ATOM 429 CD ARG A 105 1.482 5.512 -17.971 1.00 0.00 C ATOM 430 NE ARG A 105 0.226 6.237 -18.132 1.00 0.00 N ATOM 431 CZ ARG A 105 -0.347 6.854 -17.102 1.00 0.00 C ATOM 432 NH1 ARG A 105 0.218 6.821 -15.926 1.00 0.00 N ATOM 433 NH2 ARG A 105 -1.471 7.494 -17.270 1.00 0.00 N ATOM 0 H ARG A 105 2.113 9.093 -19.778 1.00 0.00 H new ATOM 0 HA ARG A 105 4.188 8.425 -17.921 1.00 0.00 H new ATOM 0 HB2 ARG A 105 2.353 7.043 -19.832 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.862 6.212 -19.514 1.00 0.00 H new ATOM 0 HG2 ARG A 105 3.427 6.024 -17.183 1.00 0.00 H new ATOM 0 HG3 ARG A 105 2.288 7.355 -17.185 1.00 0.00 H new ATOM 0 HD2 ARG A 105 1.673 4.900 -18.853 1.00 0.00 H new ATOM 0 HD3 ARG A 105 1.413 4.833 -17.121 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.220 6.271 -19.049 1.00 0.00 H new ATOM 0 HH11 ARG A 105 1.098 6.322 -15.797 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -0.221 7.294 -15.136 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -1.910 7.521 -18.190 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.911 7.967 -16.481 1.00 0.00 H new ATOM 447 N PHE A 106 6.058 7.442 -19.577 1.00 0.00 N ATOM 448 CA PHE A 106 7.288 7.387 -20.357 1.00 0.00 C ATOM 449 C PHE A 106 7.377 6.074 -21.127 1.00 0.00 C ATOM 450 O PHE A 106 7.246 4.995 -20.547 1.00 0.00 O ATOM 451 CB PHE A 106 8.498 7.516 -19.427 1.00 0.00 C ATOM 452 CG PHE A 106 8.427 8.829 -18.686 1.00 0.00 C ATOM 453 CD1 PHE A 106 8.772 10.020 -19.334 1.00 0.00 C ATOM 454 CD2 PHE A 106 8.010 8.855 -17.350 1.00 0.00 C ATOM 455 CE1 PHE A 106 8.704 11.238 -18.647 1.00 0.00 C ATOM 456 CE2 PHE A 106 7.941 10.073 -16.660 1.00 0.00 C ATOM 457 CZ PHE A 106 8.287 11.265 -17.309 1.00 0.00 C ATOM 0 H PHE A 106 5.997 6.750 -18.830 1.00 0.00 H new ATOM 0 HA PHE A 106 7.283 8.212 -21.069 1.00 0.00 H new ATOM 0 HB2 PHE A 106 8.516 6.687 -18.719 1.00 0.00 H new ATOM 0 HB3 PHE A 106 9.421 7.462 -20.004 1.00 0.00 H new ATOM 0 HD1 PHE A 106 9.091 10.000 -20.366 1.00 0.00 H new ATOM 0 HD2 PHE A 106 7.741 7.936 -16.851 1.00 0.00 H new ATOM 0 HE1 PHE A 106 8.973 12.156 -19.148 1.00 0.00 H new ATOM 0 HE2 PHE A 106 7.621 10.092 -15.629 1.00 0.00 H new ATOM 0 HZ PHE A 106 8.233 12.204 -16.779 1.00 0.00 H new ATOM 467 N ASP A 107 7.614 6.172 -22.434 1.00 0.00 N ATOM 468 CA ASP A 107 7.738 4.980 -23.269 1.00 0.00 C ATOM 469 C ASP A 107 9.038 5.031 -24.070 1.00 0.00 C ATOM 470 O ASP A 107 9.249 5.940 -24.867 1.00 0.00 O ATOM 471 CB ASP A 107 6.548 4.889 -24.225 1.00 0.00 C ATOM 472 CG ASP A 107 5.250 5.157 -23.468 1.00 0.00 C ATOM 473 OD1 ASP A 107 4.676 4.209 -22.957 1.00 0.00 O ATOM 474 OD2 ASP A 107 4.854 6.309 -23.405 1.00 0.00 O ATOM 0 H ASP A 107 7.723 7.055 -22.933 1.00 0.00 H new ATOM 0 HA ASP A 107 7.752 4.100 -22.626 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.664 5.612 -25.033 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.514 3.901 -24.684 1.00 0.00 H new ATOM 479 N VAL A 108 9.905 4.052 -23.838 1.00 0.00 N ATOM 480 CA VAL A 108 11.193 4.004 -24.522 1.00 0.00 C ATOM 481 C VAL A 108 11.398 2.656 -25.203 1.00 0.00 C ATOM 482 O VAL A 108 10.830 1.651 -24.785 1.00 0.00 O ATOM 483 CB VAL A 108 12.320 4.242 -23.514 1.00 0.00 C ATOM 484 CG1 VAL A 108 12.033 5.511 -22.706 1.00 0.00 C ATOM 485 CG2 VAL A 108 12.419 3.049 -22.568 1.00 0.00 C ATOM 0 H VAL A 108 9.742 3.285 -23.186 1.00 0.00 H new ATOM 0 HA VAL A 108 11.206 4.783 -25.284 1.00 0.00 H new ATOM 0 HB VAL A 108 13.262 4.361 -24.050 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.838 5.676 -21.990 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.967 6.365 -23.381 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.090 5.397 -22.172 1.00 0.00 H new ATOM 0 HG21 VAL A 108 13.222 3.219 -21.851 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.476 2.928 -22.035 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.630 2.146 -23.141 1.00 0.00 H new ATOM 495 N TYR A 109 12.210 2.651 -26.253 1.00 0.00 N ATOM 496 CA TYR A 109 12.494 1.420 -26.982 1.00 0.00 C ATOM 497 C TYR A 109 13.831 1.521 -27.703 1.00 0.00 C ATOM 498 O TYR A 109 14.347 2.617 -27.922 1.00 0.00 O ATOM 499 CB TYR A 109 11.377 1.136 -27.984 1.00 0.00 C ATOM 500 CG TYR A 109 11.069 2.394 -28.759 1.00 0.00 C ATOM 501 CD1 TYR A 109 11.820 2.720 -29.893 1.00 0.00 C ATOM 502 CD2 TYR A 109 10.030 3.233 -28.340 1.00 0.00 C ATOM 503 CE1 TYR A 109 11.532 3.887 -30.610 1.00 0.00 C ATOM 504 CE2 TYR A 109 9.741 4.400 -29.056 1.00 0.00 C ATOM 505 CZ TYR A 109 10.492 4.727 -30.191 1.00 0.00 C ATOM 506 OH TYR A 109 10.207 5.878 -30.899 1.00 0.00 O ATOM 0 H TYR A 109 12.681 3.479 -26.617 1.00 0.00 H new ATOM 0 HA TYR A 109 12.548 0.599 -26.268 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.678 0.340 -28.665 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.485 0.789 -27.463 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.621 2.072 -30.215 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.451 2.980 -27.464 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.111 4.140 -31.486 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.939 5.048 -28.733 1.00 0.00 H new ATOM 0 HH TYR A 109 9.457 6.345 -30.475 1.00 0.00 H new ATOM 516 N PHE A 110 14.388 0.370 -28.073 1.00 0.00 N ATOM 517 CA PHE A 110 15.673 0.342 -28.763 1.00 0.00 C ATOM 518 C PHE A 110 15.501 -0.101 -30.208 1.00 0.00 C ATOM 519 O PHE A 110 14.652 -0.940 -30.510 1.00 0.00 O ATOM 520 CB PHE A 110 16.626 -0.617 -28.042 1.00 0.00 C ATOM 521 CG PHE A 110 15.860 -1.833 -27.576 1.00 0.00 C ATOM 522 CD1 PHE A 110 15.708 -2.935 -28.427 1.00 0.00 C ATOM 523 CD2 PHE A 110 15.300 -1.857 -26.293 1.00 0.00 C ATOM 524 CE1 PHE A 110 14.998 -4.059 -27.992 1.00 0.00 C ATOM 525 CE2 PHE A 110 14.589 -2.981 -25.859 1.00 0.00 C ATOM 526 CZ PHE A 110 14.438 -4.084 -26.708 1.00 0.00 C ATOM 0 H PHE A 110 13.973 -0.547 -27.908 1.00 0.00 H new ATOM 0 HA PHE A 110 16.090 1.349 -28.756 1.00 0.00 H new ATOM 0 HB2 PHE A 110 17.433 -0.917 -28.711 1.00 0.00 H new ATOM 0 HB3 PHE A 110 17.087 -0.116 -27.191 1.00 0.00 H new ATOM 0 HD1 PHE A 110 16.138 -2.917 -29.417 1.00 0.00 H new ATOM 0 HD2 PHE A 110 15.417 -1.007 -25.637 1.00 0.00 H new ATOM 0 HE1 PHE A 110 14.881 -4.909 -28.647 1.00 0.00 H new ATOM 0 HE2 PHE A 110 14.157 -2.998 -24.869 1.00 0.00 H new ATOM 0 HZ PHE A 110 13.891 -4.953 -26.374 1.00 0.00 H new ATOM 536 N ILE A 111 16.308 0.473 -31.097 1.00 0.00 N ATOM 537 CA ILE A 111 16.228 0.131 -32.510 1.00 0.00 C ATOM 538 C ILE A 111 17.567 -0.414 -33.000 1.00 0.00 C ATOM 539 O ILE A 111 18.600 0.246 -32.879 1.00 0.00 O ATOM 540 CB ILE A 111 15.854 1.368 -33.327 1.00 0.00 C ATOM 541 CG1 ILE A 111 14.605 2.015 -32.723 1.00 0.00 C ATOM 542 CG2 ILE A 111 15.555 0.957 -34.772 1.00 0.00 C ATOM 543 CD1 ILE A 111 14.264 3.292 -33.495 1.00 0.00 C ATOM 0 H ILE A 111 17.017 1.169 -30.865 1.00 0.00 H new ATOM 0 HA ILE A 111 15.462 -0.634 -32.638 1.00 0.00 H new ATOM 0 HB ILE A 111 16.683 2.076 -33.311 1.00 0.00 H new ATOM 0 HG12 ILE A 111 13.767 1.319 -32.763 1.00 0.00 H new ATOM 0 HG13 ILE A 111 14.776 2.248 -31.672 1.00 0.00 H new ATOM 0 HG21 ILE A 111 15.288 1.840 -35.354 1.00 0.00 H new ATOM 0 HG22 ILE A 111 16.438 0.489 -35.207 1.00 0.00 H new ATOM 0 HG23 ILE A 111 14.726 0.250 -34.785 1.00 0.00 H new ATOM 0 HD11 ILE A 111 13.375 3.751 -33.064 1.00 0.00 H new ATOM 0 HD12 ILE A 111 15.099 3.989 -33.432 1.00 0.00 H new ATOM 0 HD13 ILE A 111 14.075 3.046 -34.540 1.00 0.00 H new ATOM 555 N SER A 112 17.539 -1.618 -33.562 1.00 0.00 N ATOM 556 CA SER A 112 18.752 -2.241 -34.071 1.00 0.00 C ATOM 557 C SER A 112 19.253 -1.505 -35.308 1.00 0.00 C ATOM 558 O SER A 112 18.596 -0.592 -35.811 1.00 0.00 O ATOM 559 CB SER A 112 18.486 -3.705 -34.420 1.00 0.00 C ATOM 560 OG SER A 112 17.196 -4.069 -33.952 1.00 0.00 O ATOM 0 H SER A 112 16.694 -2.178 -33.675 1.00 0.00 H new ATOM 0 HA SER A 112 19.515 -2.188 -33.295 1.00 0.00 H new ATOM 0 HB2 SER A 112 18.550 -3.852 -35.498 1.00 0.00 H new ATOM 0 HB3 SER A 112 19.244 -4.343 -33.966 1.00 0.00 H new ATOM 0 HG SER A 112 17.250 -4.321 -33.007 1.00 0.00 H new ATOM 566 N PRO A 113 20.400 -1.881 -35.800 1.00 0.00 N ATOM 567 CA PRO A 113 21.017 -1.240 -37.000 1.00 0.00 C ATOM 568 C PRO A 113 20.092 -1.279 -38.211 1.00 0.00 C ATOM 569 O PRO A 113 20.054 -0.342 -39.010 1.00 0.00 O ATOM 570 CB PRO A 113 22.275 -2.076 -37.255 1.00 0.00 C ATOM 571 CG PRO A 113 22.587 -2.724 -35.950 1.00 0.00 C ATOM 572 CD PRO A 113 21.243 -2.966 -35.274 1.00 0.00 C ATOM 0 HA PRO A 113 21.227 -0.183 -36.834 1.00 0.00 H new ATOM 0 HB2 PRO A 113 22.102 -2.820 -38.032 1.00 0.00 H new ATOM 0 HB3 PRO A 113 23.102 -1.450 -37.591 1.00 0.00 H new ATOM 0 HG2 PRO A 113 23.125 -3.661 -36.097 1.00 0.00 H new ATOM 0 HG3 PRO A 113 23.223 -2.084 -35.338 1.00 0.00 H new ATOM 0 HD2 PRO A 113 20.838 -3.947 -35.523 1.00 0.00 H new ATOM 0 HD3 PRO A 113 21.325 -2.921 -34.188 1.00 0.00 H new ATOM 580 N GLN A 114 19.348 -2.375 -38.354 1.00 0.00 N ATOM 581 CA GLN A 114 18.440 -2.527 -39.484 1.00 0.00 C ATOM 582 C GLN A 114 17.346 -1.469 -39.443 1.00 0.00 C ATOM 583 O GLN A 114 16.719 -1.173 -40.461 1.00 0.00 O ATOM 584 CB GLN A 114 17.804 -3.920 -39.452 1.00 0.00 C ATOM 585 CG GLN A 114 18.821 -4.963 -39.922 1.00 0.00 C ATOM 586 CD GLN A 114 20.079 -4.886 -39.065 1.00 0.00 C ATOM 587 OE1 GLN A 114 19.979 -4.955 -37.765 1.00 0.00 O flip ATOM 588 NE2 GLN A 114 21.184 -4.756 -39.592 1.00 0.00 N flip ATOM 0 H GLN A 114 19.357 -3.163 -37.706 1.00 0.00 H new ATOM 0 HA GLN A 114 19.011 -2.404 -40.404 1.00 0.00 H new ATOM 0 HB2 GLN A 114 17.469 -4.154 -38.441 1.00 0.00 H new ATOM 0 HB3 GLN A 114 16.923 -3.943 -40.093 1.00 0.00 H new ATOM 0 HG2 GLN A 114 18.387 -5.961 -39.857 1.00 0.00 H new ATOM 0 HG3 GLN A 114 19.073 -4.792 -40.969 1.00 0.00 H new ATOM 0 HE21 GLN A 114 21.261 -4.702 -40.608 1.00 0.00 H new ATOM 0 HE22 GLN A 114 22.022 -4.702 -39.013 1.00 0.00 H new ATOM 597 N GLY A 115 17.126 -0.899 -38.263 1.00 0.00 N ATOM 598 CA GLY A 115 16.103 0.128 -38.106 1.00 0.00 C ATOM 599 C GLY A 115 14.800 -0.475 -37.587 1.00 0.00 C ATOM 600 O GLY A 115 13.742 0.150 -37.666 1.00 0.00 O ATOM 0 H GLY A 115 17.636 -1.128 -37.410 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.454 0.894 -37.415 1.00 0.00 H new ATOM 0 HA3 GLY A 115 15.925 0.619 -39.063 1.00 0.00 H new ATOM 604 N LEU A 116 14.885 -1.693 -37.061 1.00 0.00 N ATOM 605 CA LEU A 116 13.705 -2.369 -36.533 1.00 0.00 C ATOM 606 C LEU A 116 13.418 -1.910 -35.109 1.00 0.00 C ATOM 607 O LEU A 116 14.321 -1.830 -34.279 1.00 0.00 O ATOM 608 CB LEU A 116 13.921 -3.882 -36.552 1.00 0.00 C ATOM 609 CG LEU A 116 14.175 -4.346 -37.988 1.00 0.00 C ATOM 610 CD1 LEU A 116 14.442 -5.851 -38.001 1.00 0.00 C ATOM 611 CD2 LEU A 116 12.946 -4.040 -38.849 1.00 0.00 C ATOM 0 H LEU A 116 15.750 -2.228 -36.989 1.00 0.00 H new ATOM 0 HA LEU A 116 12.851 -2.116 -37.161 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.768 -4.147 -35.918 1.00 0.00 H new ATOM 0 HB3 LEU A 116 13.047 -4.390 -36.144 1.00 0.00 H new ATOM 0 HG LEU A 116 15.041 -3.820 -38.389 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.623 -6.180 -39.024 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.317 -6.071 -37.390 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.577 -6.378 -37.598 1.00 0.00 H new ATOM 0 HD21 LEU A 116 13.127 -4.370 -39.872 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.080 -4.565 -38.446 1.00 0.00 H new ATOM 0 HD23 LEU A 116 12.755 -2.967 -38.843 1.00 0.00 H new ATOM 623 N LYS A 117 12.152 -1.614 -34.832 1.00 0.00 N ATOM 624 CA LYS A 117 11.755 -1.160 -33.504 1.00 0.00 C ATOM 625 C LYS A 117 11.176 -2.310 -32.690 1.00 0.00 C ATOM 626 O LYS A 117 10.479 -3.174 -33.225 1.00 0.00 O ATOM 627 CB LYS A 117 10.715 -0.044 -33.624 1.00 0.00 C ATOM 628 CG LYS A 117 11.317 1.140 -34.385 1.00 0.00 C ATOM 629 CD LYS A 117 10.573 1.333 -35.707 1.00 0.00 C ATOM 630 CE LYS A 117 11.125 2.564 -36.430 1.00 0.00 C ATOM 631 NZ LYS A 117 12.425 2.220 -37.072 1.00 0.00 N ATOM 0 H LYS A 117 11.388 -1.680 -35.505 1.00 0.00 H new ATOM 0 HA LYS A 117 12.640 -0.781 -32.993 1.00 0.00 H new ATOM 0 HB2 LYS A 117 9.831 -0.412 -34.144 1.00 0.00 H new ATOM 0 HB3 LYS A 117 10.392 0.274 -32.633 1.00 0.00 H new ATOM 0 HG2 LYS A 117 11.248 2.045 -33.782 1.00 0.00 H new ATOM 0 HG3 LYS A 117 12.376 0.963 -34.575 1.00 0.00 H new ATOM 0 HD2 LYS A 117 10.688 0.448 -36.333 1.00 0.00 H new ATOM 0 HD3 LYS A 117 9.506 1.456 -35.521 1.00 0.00 H new ATOM 0 HE2 LYS A 117 10.415 2.906 -37.183 1.00 0.00 H new ATOM 0 HE3 LYS A 117 11.261 3.383 -35.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 13.207 2.562 -36.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 12.497 1.188 -37.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.480 2.670 -38.008 1.00 0.00 H new ATOM 645 N PHE A 118 11.470 -2.318 -31.393 1.00 0.00 N ATOM 646 CA PHE A 118 10.970 -3.365 -30.513 1.00 0.00 C ATOM 647 C PHE A 118 10.573 -2.787 -29.160 1.00 0.00 C ATOM 648 O PHE A 118 11.258 -1.917 -28.625 1.00 0.00 O ATOM 649 CB PHE A 118 12.042 -4.439 -30.317 1.00 0.00 C ATOM 650 CG PHE A 118 12.412 -5.033 -31.656 1.00 0.00 C ATOM 651 CD1 PHE A 118 11.489 -5.825 -32.349 1.00 0.00 C ATOM 652 CD2 PHE A 118 13.676 -4.789 -32.206 1.00 0.00 C ATOM 653 CE1 PHE A 118 11.829 -6.376 -33.589 1.00 0.00 C ATOM 654 CE2 PHE A 118 14.017 -5.339 -33.447 1.00 0.00 C ATOM 655 CZ PHE A 118 13.094 -6.133 -34.139 1.00 0.00 C ATOM 0 H PHE A 118 12.048 -1.615 -30.932 1.00 0.00 H new ATOM 0 HA PHE A 118 10.089 -3.810 -30.976 1.00 0.00 H new ATOM 0 HB2 PHE A 118 12.923 -4.006 -29.843 1.00 0.00 H new ATOM 0 HB3 PHE A 118 11.673 -5.219 -29.651 1.00 0.00 H new ATOM 0 HD1 PHE A 118 10.513 -6.011 -31.926 1.00 0.00 H new ATOM 0 HD2 PHE A 118 14.388 -4.176 -31.673 1.00 0.00 H new ATOM 0 HE1 PHE A 118 11.117 -6.988 -34.122 1.00 0.00 H new ATOM 0 HE2 PHE A 118 14.992 -5.151 -33.871 1.00 0.00 H new ATOM 0 HZ PHE A 118 13.358 -6.558 -35.096 1.00 0.00 H new ATOM 665 N ARG A 119 9.471 -3.281 -28.608 1.00 0.00 N ATOM 666 CA ARG A 119 8.999 -2.810 -27.309 1.00 0.00 C ATOM 667 C ARG A 119 8.749 -3.986 -26.366 1.00 0.00 C ATOM 668 O ARG A 119 8.219 -3.813 -25.272 1.00 0.00 O ATOM 669 CB ARG A 119 7.709 -2.005 -27.489 1.00 0.00 C ATOM 670 CG ARG A 119 6.541 -2.956 -27.778 1.00 0.00 C ATOM 671 CD ARG A 119 5.534 -2.885 -26.630 1.00 0.00 C ATOM 672 NE ARG A 119 4.458 -3.846 -26.844 1.00 0.00 N ATOM 673 CZ ARG A 119 3.217 -3.597 -26.435 1.00 0.00 C ATOM 674 NH1 ARG A 119 2.946 -2.475 -25.829 1.00 0.00 N ATOM 675 NH2 ARG A 119 2.276 -4.474 -26.640 1.00 0.00 N ATOM 0 H ARG A 119 8.890 -4.003 -29.035 1.00 0.00 H new ATOM 0 HA ARG A 119 9.767 -2.173 -26.870 1.00 0.00 H new ATOM 0 HB2 ARG A 119 7.503 -1.424 -26.590 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.823 -1.295 -28.308 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.059 -2.683 -28.717 1.00 0.00 H new ATOM 0 HG3 ARG A 119 6.908 -3.976 -27.892 1.00 0.00 H new ATOM 0 HD2 ARG A 119 6.034 -3.093 -25.684 1.00 0.00 H new ATOM 0 HD3 ARG A 119 5.123 -1.878 -26.559 1.00 0.00 H new ATOM 0 HE ARG A 119 4.661 -4.727 -27.317 1.00 0.00 H new ATOM 0 HH11 ARG A 119 3.685 -1.790 -25.669 1.00 0.00 H new ATOM 0 HH12 ARG A 119 1.995 -2.282 -25.515 1.00 0.00 H new ATOM 0 HH21 ARG A 119 2.491 -5.351 -27.114 1.00 0.00 H new ATOM 0 HH22 ARG A 119 1.324 -4.284 -26.327 1.00 0.00 H new ATOM 689 N SER A 120 9.114 -5.183 -26.817 1.00 0.00 N ATOM 690 CA SER A 120 8.909 -6.383 -26.015 1.00 0.00 C ATOM 691 C SER A 120 10.131 -7.289 -26.088 1.00 0.00 C ATOM 692 O SER A 120 10.750 -7.429 -27.143 1.00 0.00 O ATOM 693 CB SER A 120 7.677 -7.142 -26.512 1.00 0.00 C ATOM 694 OG SER A 120 7.535 -8.343 -25.765 1.00 0.00 O ATOM 0 H SER A 120 9.549 -5.346 -27.725 1.00 0.00 H new ATOM 0 HA SER A 120 8.754 -6.082 -24.979 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.786 -6.524 -26.403 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.779 -7.370 -27.573 1.00 0.00 H new ATOM 0 HG SER A 120 6.746 -8.832 -26.079 1.00 0.00 H new ATOM 700 N LYS A 121 10.477 -7.900 -24.960 1.00 0.00 N ATOM 701 CA LYS A 121 11.632 -8.785 -24.906 1.00 0.00 C ATOM 702 C LYS A 121 11.456 -9.951 -25.871 1.00 0.00 C ATOM 703 O LYS A 121 12.396 -10.337 -26.569 1.00 0.00 O ATOM 704 CB LYS A 121 11.817 -9.317 -23.484 1.00 0.00 C ATOM 705 CG LYS A 121 13.059 -10.210 -23.428 1.00 0.00 C ATOM 706 CD LYS A 121 12.637 -11.658 -23.175 1.00 0.00 C ATOM 707 CE LYS A 121 13.882 -12.541 -23.055 1.00 0.00 C ATOM 708 NZ LYS A 121 13.469 -13.951 -22.813 1.00 0.00 N ATOM 0 H LYS A 121 9.977 -7.799 -24.077 1.00 0.00 H new ATOM 0 HA LYS A 121 12.516 -8.218 -25.197 1.00 0.00 H new ATOM 0 HB2 LYS A 121 11.921 -8.487 -22.785 1.00 0.00 H new ATOM 0 HB3 LYS A 121 10.936 -9.882 -23.179 1.00 0.00 H new ATOM 0 HG2 LYS A 121 13.612 -10.140 -24.364 1.00 0.00 H new ATOM 0 HG3 LYS A 121 13.728 -9.872 -22.636 1.00 0.00 H new ATOM 0 HD2 LYS A 121 12.045 -11.721 -22.262 1.00 0.00 H new ATOM 0 HD3 LYS A 121 12.005 -12.011 -23.990 1.00 0.00 H new ATOM 0 HE2 LYS A 121 14.476 -12.476 -23.967 1.00 0.00 H new ATOM 0 HE3 LYS A 121 14.512 -12.190 -22.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 14.314 -14.551 -22.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 12.919 -14.005 -21.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 12.884 -14.283 -23.607 1.00 0.00 H new ATOM 722 N SER A 122 10.252 -10.517 -25.899 1.00 0.00 N ATOM 723 CA SER A 122 9.981 -11.655 -26.776 1.00 0.00 C ATOM 724 C SER A 122 10.265 -11.285 -28.227 1.00 0.00 C ATOM 725 O SER A 122 11.031 -11.966 -28.910 1.00 0.00 O ATOM 726 CB SER A 122 8.516 -12.068 -26.636 1.00 0.00 C ATOM 727 OG SER A 122 8.257 -13.173 -27.492 1.00 0.00 O ATOM 0 H SER A 122 9.459 -10.213 -25.334 1.00 0.00 H new ATOM 0 HA SER A 122 10.628 -12.483 -26.488 1.00 0.00 H new ATOM 0 HB2 SER A 122 8.299 -12.335 -25.602 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.864 -11.233 -26.893 1.00 0.00 H new ATOM 0 HG SER A 122 7.319 -13.442 -27.404 1.00 0.00 H new ATOM 733 N SER A 123 9.664 -10.194 -28.688 1.00 0.00 N ATOM 734 CA SER A 123 9.870 -9.749 -30.064 1.00 0.00 C ATOM 735 C SER A 123 11.360 -9.654 -30.369 1.00 0.00 C ATOM 736 O SER A 123 11.810 -10.064 -31.438 1.00 0.00 O ATOM 737 CB SER A 123 9.228 -8.374 -30.260 1.00 0.00 C ATOM 738 OG SER A 123 7.819 -8.484 -30.115 1.00 0.00 O ATOM 0 H SER A 123 9.037 -9.606 -28.138 1.00 0.00 H new ATOM 0 HA SER A 123 9.411 -10.471 -30.739 1.00 0.00 H new ATOM 0 HB2 SER A 123 9.625 -7.668 -29.531 1.00 0.00 H new ATOM 0 HB3 SER A 123 9.473 -7.984 -31.248 1.00 0.00 H new ATOM 0 HG SER A 123 7.408 -7.603 -30.239 1.00 0.00 H new ATOM 744 N LEU A 124 12.125 -9.130 -29.415 1.00 0.00 N ATOM 745 CA LEU A 124 13.565 -9.006 -29.593 1.00 0.00 C ATOM 746 C LEU A 124 14.209 -10.379 -29.759 1.00 0.00 C ATOM 747 O LEU A 124 15.062 -10.575 -30.626 1.00 0.00 O ATOM 748 CB LEU A 124 14.181 -8.288 -28.389 1.00 0.00 C ATOM 749 CG LEU A 124 15.701 -8.212 -28.554 1.00 0.00 C ATOM 750 CD1 LEU A 124 16.039 -7.462 -29.844 1.00 0.00 C ATOM 751 CD2 LEU A 124 16.306 -7.471 -27.363 1.00 0.00 C ATOM 0 H LEU A 124 11.775 -8.788 -28.520 1.00 0.00 H new ATOM 0 HA LEU A 124 13.751 -8.423 -30.495 1.00 0.00 H new ATOM 0 HB2 LEU A 124 13.765 -7.285 -28.300 1.00 0.00 H new ATOM 0 HB3 LEU A 124 13.932 -8.819 -27.470 1.00 0.00 H new ATOM 0 HG LEU A 124 16.111 -9.221 -28.602 1.00 0.00 H new ATOM 0 HD11 LEU A 124 17.121 -7.408 -29.961 1.00 0.00 H new ATOM 0 HD12 LEU A 124 15.608 -7.989 -30.695 1.00 0.00 H new ATOM 0 HD13 LEU A 124 15.629 -6.453 -29.797 1.00 0.00 H new ATOM 0 HD21 LEU A 124 17.388 -7.417 -27.480 1.00 0.00 H new ATOM 0 HD22 LEU A 124 15.895 -6.463 -27.315 1.00 0.00 H new ATOM 0 HD23 LEU A 124 16.067 -8.004 -26.443 1.00 0.00 H new ATOM 763 N ALA A 125 13.803 -11.320 -28.919 1.00 0.00 N ATOM 764 CA ALA A 125 14.348 -12.671 -28.976 1.00 0.00 C ATOM 765 C ALA A 125 14.075 -13.292 -30.342 1.00 0.00 C ATOM 766 O ALA A 125 14.843 -14.130 -30.818 1.00 0.00 O ATOM 767 CB ALA A 125 13.720 -13.537 -27.882 1.00 0.00 C ATOM 0 H ALA A 125 13.102 -11.175 -28.193 1.00 0.00 H new ATOM 0 HA ALA A 125 15.425 -12.619 -28.818 1.00 0.00 H new ATOM 0 HB1 ALA A 125 14.134 -14.544 -27.933 1.00 0.00 H new ATOM 0 HB2 ALA A 125 13.938 -13.104 -26.906 1.00 0.00 H new ATOM 0 HB3 ALA A 125 12.641 -13.580 -28.027 1.00 0.00 H new ATOM 773 N ASN A 126 12.972 -12.882 -30.964 1.00 0.00 N ATOM 774 CA ASN A 126 12.610 -13.405 -32.277 1.00 0.00 C ATOM 775 C ASN A 126 13.463 -12.764 -33.369 1.00 0.00 C ATOM 776 O ASN A 126 13.972 -13.447 -34.251 1.00 0.00 O ATOM 777 CB ASN A 126 11.133 -13.132 -32.556 1.00 0.00 C ATOM 778 CG ASN A 126 10.264 -14.002 -31.653 1.00 0.00 C ATOM 779 OD1 ASN A 126 10.722 -15.027 -31.148 1.00 0.00 O ATOM 780 ND2 ASN A 126 9.029 -13.650 -31.416 1.00 0.00 N ATOM 0 H ASN A 126 12.320 -12.196 -30.584 1.00 0.00 H new ATOM 0 HA ASN A 126 12.790 -14.480 -32.279 1.00 0.00 H new ATOM 0 HB2 ASN A 126 10.910 -12.079 -32.385 1.00 0.00 H new ATOM 0 HB3 ASN A 126 10.907 -13.339 -33.602 1.00 0.00 H new ATOM 0 HD21 ASN A 126 8.442 -14.225 -30.811 1.00 0.00 H new ATOM 0 HD22 ASN A 126 8.651 -12.800 -31.835 1.00 0.00 H new ATOM 787 N TYR A 127 13.617 -11.446 -33.294 1.00 0.00 N ATOM 788 CA TYR A 127 14.413 -10.724 -34.277 1.00 0.00 C ATOM 789 C TYR A 127 15.816 -11.311 -34.357 1.00 0.00 C ATOM 790 O TYR A 127 16.335 -11.550 -35.449 1.00 0.00 O ATOM 791 CB TYR A 127 14.495 -9.244 -33.896 1.00 0.00 C ATOM 792 CG TYR A 127 15.669 -8.607 -34.603 1.00 0.00 C ATOM 793 CD1 TYR A 127 15.637 -8.419 -35.988 1.00 0.00 C ATOM 794 CD2 TYR A 127 16.792 -8.205 -33.868 1.00 0.00 C ATOM 795 CE1 TYR A 127 16.728 -7.829 -36.639 1.00 0.00 C ATOM 796 CE2 TYR A 127 17.880 -7.616 -34.517 1.00 0.00 C ATOM 797 CZ TYR A 127 17.850 -7.427 -35.904 1.00 0.00 C ATOM 798 OH TYR A 127 18.924 -6.846 -36.547 1.00 0.00 O ATOM 0 H TYR A 127 13.204 -10.861 -32.568 1.00 0.00 H new ATOM 0 HA TYR A 127 13.934 -10.820 -35.251 1.00 0.00 H new ATOM 0 HB2 TYR A 127 13.571 -8.735 -34.171 1.00 0.00 H new ATOM 0 HB3 TYR A 127 14.607 -9.141 -32.817 1.00 0.00 H new ATOM 0 HD1 TYR A 127 14.772 -8.728 -36.556 1.00 0.00 H new ATOM 0 HD2 TYR A 127 16.817 -8.351 -32.798 1.00 0.00 H new ATOM 0 HE1 TYR A 127 16.704 -7.684 -37.709 1.00 0.00 H new ATOM 0 HE2 TYR A 127 18.745 -7.306 -33.949 1.00 0.00 H new ATOM 0 HH TYR A 127 18.696 -5.927 -36.800 1.00 0.00 H new ATOM 808 N LEU A 128 16.428 -11.532 -33.200 1.00 0.00 N ATOM 809 CA LEU A 128 17.781 -12.081 -33.161 1.00 0.00 C ATOM 810 C LEU A 128 17.821 -13.454 -33.825 1.00 0.00 C ATOM 811 O LEU A 128 18.685 -13.724 -34.655 1.00 0.00 O ATOM 812 CB LEU A 128 18.241 -12.207 -31.706 1.00 0.00 C ATOM 813 CG LEU A 128 18.338 -10.815 -31.076 1.00 0.00 C ATOM 814 CD1 LEU A 128 18.677 -10.947 -29.591 1.00 0.00 C ATOM 815 CD2 LEU A 128 19.431 -10.008 -31.780 1.00 0.00 C ATOM 0 H LEU A 128 16.017 -11.343 -32.286 1.00 0.00 H new ATOM 0 HA LEU A 128 18.446 -11.408 -33.703 1.00 0.00 H new ATOM 0 HB2 LEU A 128 17.539 -12.823 -31.144 1.00 0.00 H new ATOM 0 HB3 LEU A 128 19.209 -12.706 -31.662 1.00 0.00 H new ATOM 0 HG LEU A 128 17.382 -10.302 -31.185 1.00 0.00 H new ATOM 0 HD11 LEU A 128 18.746 -9.955 -29.144 1.00 0.00 H new ATOM 0 HD12 LEU A 128 17.896 -11.518 -29.089 1.00 0.00 H new ATOM 0 HD13 LEU A 128 19.631 -11.462 -29.480 1.00 0.00 H new ATOM 0 HD21 LEU A 128 19.499 -9.017 -31.330 1.00 0.00 H new ATOM 0 HD22 LEU A 128 20.387 -10.521 -31.674 1.00 0.00 H new ATOM 0 HD23 LEU A 128 19.187 -9.910 -32.838 1.00 0.00 H new ATOM 827 N HIS A 129 16.871 -14.310 -33.464 1.00 0.00 N ATOM 828 CA HIS A 129 16.796 -15.644 -34.045 1.00 0.00 C ATOM 829 C HIS A 129 16.546 -15.558 -35.548 1.00 0.00 C ATOM 830 O HIS A 129 17.085 -16.346 -36.325 1.00 0.00 O ATOM 831 CB HIS A 129 15.677 -16.445 -33.380 1.00 0.00 C ATOM 832 CG HIS A 129 15.625 -17.825 -33.978 1.00 0.00 C ATOM 833 ND1 HIS A 129 16.616 -18.766 -33.748 1.00 0.00 N ATOM 834 CD2 HIS A 129 14.708 -18.437 -34.794 1.00 0.00 C ATOM 835 CE1 HIS A 129 16.274 -19.884 -34.415 1.00 0.00 C ATOM 836 NE2 HIS A 129 15.120 -19.737 -35.070 1.00 0.00 N ATOM 0 H HIS A 129 16.147 -14.105 -32.776 1.00 0.00 H new ATOM 0 HA HIS A 129 17.747 -16.148 -33.875 1.00 0.00 H new ATOM 0 HB2 HIS A 129 15.850 -16.509 -32.306 1.00 0.00 H new ATOM 0 HB3 HIS A 129 14.721 -15.940 -33.520 1.00 0.00 H new ATOM 0 HD2 HIS A 129 13.803 -17.979 -35.166 1.00 0.00 H new ATOM 0 HE1 HIS A 129 16.862 -20.790 -34.420 1.00 0.00 H new ATOM 0 HE2 HIS A 129 14.643 -20.429 -35.648 1.00 0.00 H new ATOM 845 N LYS A 130 15.713 -14.603 -35.948 1.00 0.00 N ATOM 846 CA LYS A 130 15.390 -14.422 -37.358 1.00 0.00 C ATOM 847 C LYS A 130 16.627 -14.000 -38.147 1.00 0.00 C ATOM 848 O LYS A 130 16.860 -14.478 -39.256 1.00 0.00 O ATOM 849 CB LYS A 130 14.297 -13.366 -37.511 1.00 0.00 C ATOM 850 CG LYS A 130 13.927 -13.224 -38.990 1.00 0.00 C ATOM 851 CD LYS A 130 12.730 -12.281 -39.136 1.00 0.00 C ATOM 852 CE LYS A 130 13.179 -10.838 -38.895 1.00 0.00 C ATOM 853 NZ LYS A 130 12.084 -9.907 -39.276 1.00 0.00 N ATOM 0 H LYS A 130 15.252 -13.946 -35.319 1.00 0.00 H new ATOM 0 HA LYS A 130 15.033 -15.373 -37.753 1.00 0.00 H new ATOM 0 HB2 LYS A 130 13.419 -13.650 -36.931 1.00 0.00 H new ATOM 0 HB3 LYS A 130 14.643 -12.410 -37.118 1.00 0.00 H new ATOM 0 HG2 LYS A 130 14.777 -12.837 -39.552 1.00 0.00 H new ATOM 0 HG3 LYS A 130 13.686 -14.201 -39.410 1.00 0.00 H new ATOM 0 HD2 LYS A 130 12.299 -12.376 -40.133 1.00 0.00 H new ATOM 0 HD3 LYS A 130 11.951 -12.554 -38.424 1.00 0.00 H new ATOM 0 HE2 LYS A 130 13.441 -10.698 -37.846 1.00 0.00 H new ATOM 0 HE3 LYS A 130 14.074 -10.622 -39.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 12.389 -8.926 -39.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 11.854 -10.035 -40.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 11.241 -10.108 -38.700 1.00 0.00 H new ATOM 867 N ASN A 131 17.407 -13.091 -37.570 1.00 0.00 N ATOM 868 CA ASN A 131 18.608 -12.598 -38.234 1.00 0.00 C ATOM 869 C ASN A 131 19.671 -13.688 -38.298 1.00 0.00 C ATOM 870 O ASN A 131 20.714 -13.515 -38.927 1.00 0.00 O ATOM 871 CB ASN A 131 19.159 -11.384 -37.484 1.00 0.00 C ATOM 872 CG ASN A 131 20.211 -10.679 -38.331 1.00 0.00 C ATOM 873 OD1 ASN A 131 20.635 -11.203 -39.361 1.00 0.00 O ATOM 874 ND2 ASN A 131 20.662 -9.512 -37.960 1.00 0.00 N ATOM 0 H ASN A 131 17.231 -12.684 -36.652 1.00 0.00 H new ATOM 0 HA ASN A 131 18.345 -12.306 -39.251 1.00 0.00 H new ATOM 0 HB2 ASN A 131 18.349 -10.694 -37.248 1.00 0.00 H new ATOM 0 HB3 ASN A 131 19.595 -11.699 -36.536 1.00 0.00 H new ATOM 0 HD21 ASN A 131 21.366 -9.034 -38.523 1.00 0.00 H new ATOM 0 HD22 ASN A 131 20.311 -9.077 -37.107 1.00 0.00 H new ATOM 881 N GLY A 132 19.399 -14.811 -37.644 1.00 0.00 N ATOM 882 CA GLY A 132 20.339 -15.924 -37.635 1.00 0.00 C ATOM 883 C GLY A 132 21.362 -15.762 -36.517 1.00 0.00 C ATOM 884 O GLY A 132 22.164 -16.661 -36.261 1.00 0.00 O ATOM 0 H GLY A 132 18.541 -14.974 -37.117 1.00 0.00 H new ATOM 0 HA2 GLY A 132 19.798 -16.861 -37.505 1.00 0.00 H new ATOM 0 HA3 GLY A 132 20.850 -15.981 -38.596 1.00 0.00 H new ATOM 888 N GLU A 133 21.328 -14.611 -35.852 1.00 0.00 N ATOM 889 CA GLU A 133 22.262 -14.344 -34.762 1.00 0.00 C ATOM 890 C GLU A 133 21.636 -14.718 -33.423 1.00 0.00 C ATOM 891 O GLU A 133 20.630 -14.136 -33.016 1.00 0.00 O ATOM 892 CB GLU A 133 22.642 -12.862 -34.757 1.00 0.00 C ATOM 893 CG GLU A 133 23.435 -12.534 -36.023 1.00 0.00 C ATOM 894 CD GLU A 133 23.650 -11.028 -36.129 1.00 0.00 C ATOM 895 OE1 GLU A 133 23.276 -10.330 -35.199 1.00 0.00 O ATOM 896 OE2 GLU A 133 24.176 -10.593 -37.139 1.00 0.00 O ATOM 0 H GLU A 133 20.671 -13.855 -36.046 1.00 0.00 H new ATOM 0 HA GLU A 133 23.157 -14.947 -34.913 1.00 0.00 H new ATOM 0 HB2 GLU A 133 21.744 -12.246 -34.708 1.00 0.00 H new ATOM 0 HB3 GLU A 133 23.236 -12.631 -33.873 1.00 0.00 H new ATOM 0 HG2 GLU A 133 24.397 -13.046 -36.002 1.00 0.00 H new ATOM 0 HG3 GLU A 133 22.900 -12.896 -36.901 1.00 0.00 H new ATOM 903 N THR A 134 22.240 -15.688 -32.744 1.00 0.00 N ATOM 904 CA THR A 134 21.733 -16.134 -31.451 1.00 0.00 C ATOM 905 C THR A 134 22.756 -15.867 -30.353 1.00 0.00 C ATOM 906 O THR A 134 22.483 -16.084 -29.172 1.00 0.00 O ATOM 907 CB THR A 134 21.413 -17.629 -31.505 1.00 0.00 C ATOM 908 OG1 THR A 134 22.599 -18.356 -31.792 1.00 0.00 O ATOM 909 CG2 THR A 134 20.375 -17.891 -32.598 1.00 0.00 C ATOM 0 H THR A 134 23.075 -16.177 -33.065 1.00 0.00 H new ATOM 0 HA THR A 134 20.824 -15.577 -31.225 1.00 0.00 H new ATOM 0 HB THR A 134 21.014 -17.950 -30.543 1.00 0.00 H new ATOM 0 HG1 THR A 134 22.395 -19.314 -31.825 1.00 0.00 H new ATOM 0 HG21 THR A 134 20.148 -18.956 -32.636 1.00 0.00 H new ATOM 0 HG22 THR A 134 19.465 -17.333 -32.377 1.00 0.00 H new ATOM 0 HG23 THR A 134 20.772 -17.570 -33.561 1.00 0.00 H new ATOM 917 N SER A 135 23.936 -15.403 -30.749 1.00 0.00 N ATOM 918 CA SER A 135 24.995 -15.116 -29.787 1.00 0.00 C ATOM 919 C SER A 135 24.561 -14.013 -28.827 1.00 0.00 C ATOM 920 O SER A 135 24.870 -14.057 -27.637 1.00 0.00 O ATOM 921 CB SER A 135 26.264 -14.685 -30.523 1.00 0.00 C ATOM 922 OG SER A 135 26.012 -13.472 -31.222 1.00 0.00 O ATOM 0 H SER A 135 24.183 -15.219 -31.721 1.00 0.00 H new ATOM 0 HA SER A 135 25.197 -16.021 -29.214 1.00 0.00 H new ATOM 0 HB2 SER A 135 27.080 -14.547 -29.814 1.00 0.00 H new ATOM 0 HB3 SER A 135 26.576 -15.462 -31.221 1.00 0.00 H new ATOM 0 HG SER A 135 26.824 -13.192 -31.694 1.00 0.00 H new ATOM 928 N LEU A 136 23.843 -13.027 -29.354 1.00 0.00 N ATOM 929 CA LEU A 136 23.371 -11.919 -28.533 1.00 0.00 C ATOM 930 C LEU A 136 22.289 -12.390 -27.569 1.00 0.00 C ATOM 931 O LEU A 136 21.392 -13.143 -27.950 1.00 0.00 O ATOM 932 CB LEU A 136 22.812 -10.808 -29.425 1.00 0.00 C ATOM 933 CG LEU A 136 23.789 -9.631 -29.449 1.00 0.00 C ATOM 934 CD1 LEU A 136 25.153 -10.108 -29.950 1.00 0.00 C ATOM 935 CD2 LEU A 136 23.254 -8.545 -30.384 1.00 0.00 C ATOM 0 H LEU A 136 23.577 -12.972 -30.337 1.00 0.00 H new ATOM 0 HA LEU A 136 24.213 -11.534 -27.958 1.00 0.00 H new ATOM 0 HB2 LEU A 136 22.654 -11.184 -30.436 1.00 0.00 H new ATOM 0 HB3 LEU A 136 21.842 -10.481 -29.051 1.00 0.00 H new ATOM 0 HG LEU A 136 23.894 -9.226 -28.442 1.00 0.00 H new ATOM 0 HD11 LEU A 136 25.848 -9.269 -29.967 1.00 0.00 H new ATOM 0 HD12 LEU A 136 25.535 -10.882 -29.284 1.00 0.00 H new ATOM 0 HD13 LEU A 136 25.049 -10.514 -30.956 1.00 0.00 H new ATOM 0 HD21 LEU A 136 23.949 -7.706 -30.402 1.00 0.00 H new ATOM 0 HD22 LEU A 136 23.149 -8.951 -31.390 1.00 0.00 H new ATOM 0 HD23 LEU A 136 22.282 -8.204 -30.027 1.00 0.00 H new ATOM 947 N LYS A 137 22.380 -11.940 -26.323 1.00 0.00 N ATOM 948 CA LYS A 137 21.404 -12.317 -25.318 1.00 0.00 C ATOM 949 C LYS A 137 20.497 -11.140 -24.972 1.00 0.00 C ATOM 950 O LYS A 137 20.815 -9.989 -25.268 1.00 0.00 O ATOM 951 CB LYS A 137 22.111 -12.798 -24.045 1.00 0.00 C ATOM 952 CG LYS A 137 22.017 -14.323 -23.947 1.00 0.00 C ATOM 953 CD LYS A 137 22.675 -14.792 -22.647 1.00 0.00 C ATOM 954 CE LYS A 137 22.562 -16.316 -22.543 1.00 0.00 C ATOM 955 NZ LYS A 137 21.123 -16.703 -22.467 1.00 0.00 N ATOM 0 H LYS A 137 23.116 -11.318 -25.990 1.00 0.00 H new ATOM 0 HA LYS A 137 20.797 -13.124 -25.728 1.00 0.00 H new ATOM 0 HB2 LYS A 137 23.156 -12.489 -24.059 1.00 0.00 H new ATOM 0 HB3 LYS A 137 21.654 -12.339 -23.168 1.00 0.00 H new ATOM 0 HG2 LYS A 137 20.973 -14.636 -23.972 1.00 0.00 H new ATOM 0 HG3 LYS A 137 22.509 -14.784 -24.803 1.00 0.00 H new ATOM 0 HD2 LYS A 137 23.723 -14.491 -22.627 1.00 0.00 H new ATOM 0 HD3 LYS A 137 22.192 -14.321 -21.791 1.00 0.00 H new ATOM 0 HE2 LYS A 137 23.031 -16.786 -23.407 1.00 0.00 H new ATOM 0 HE3 LYS A 137 23.093 -16.671 -21.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 21.040 -17.652 -22.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 20.610 -16.018 -21.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 20.714 -16.709 -23.423 1.00 0.00 H new ATOM 969 N PRO A 138 19.393 -11.408 -24.333 1.00 0.00 N ATOM 970 CA PRO A 138 18.435 -10.350 -23.891 1.00 0.00 C ATOM 971 C PRO A 138 19.091 -9.357 -22.930 1.00 0.00 C ATOM 972 O PRO A 138 18.697 -8.195 -22.851 1.00 0.00 O ATOM 973 CB PRO A 138 17.321 -11.131 -23.185 1.00 0.00 C ATOM 974 CG PRO A 138 17.440 -12.529 -23.686 1.00 0.00 C ATOM 975 CD PRO A 138 18.915 -12.750 -23.973 1.00 0.00 C ATOM 0 HA PRO A 138 18.073 -9.751 -24.727 1.00 0.00 H new ATOM 0 HB2 PRO A 138 17.438 -11.090 -22.102 1.00 0.00 H new ATOM 0 HB3 PRO A 138 16.341 -10.713 -23.416 1.00 0.00 H new ATOM 0 HG2 PRO A 138 17.076 -13.241 -22.945 1.00 0.00 H new ATOM 0 HG3 PRO A 138 16.842 -12.673 -24.586 1.00 0.00 H new ATOM 0 HD2 PRO A 138 19.440 -13.144 -23.103 1.00 0.00 H new ATOM 0 HD3 PRO A 138 19.065 -13.462 -24.785 1.00 0.00 H new ATOM 983 N GLU A 139 20.094 -9.827 -22.195 1.00 0.00 N ATOM 984 CA GLU A 139 20.798 -8.978 -21.239 1.00 0.00 C ATOM 985 C GLU A 139 21.605 -7.908 -21.968 1.00 0.00 C ATOM 986 O GLU A 139 22.202 -7.033 -21.343 1.00 0.00 O ATOM 987 CB GLU A 139 21.733 -9.828 -20.373 1.00 0.00 C ATOM 988 CG GLU A 139 23.026 -10.114 -21.142 1.00 0.00 C ATOM 989 CD GLU A 139 24.035 -8.994 -20.908 1.00 0.00 C ATOM 990 OE1 GLU A 139 24.100 -8.499 -19.795 1.00 0.00 O ATOM 991 OE2 GLU A 139 24.724 -8.642 -21.850 1.00 0.00 O ATOM 0 H GLU A 139 20.437 -10.787 -22.242 1.00 0.00 H new ATOM 0 HA GLU A 139 20.061 -8.490 -20.602 1.00 0.00 H new ATOM 0 HB2 GLU A 139 21.959 -9.306 -19.443 1.00 0.00 H new ATOM 0 HB3 GLU A 139 21.244 -10.764 -20.103 1.00 0.00 H new ATOM 0 HG2 GLU A 139 23.447 -11.066 -20.819 1.00 0.00 H new ATOM 0 HG3 GLU A 139 22.812 -10.205 -22.207 1.00 0.00 H new ATOM 998 N ASP A 140 21.630 -7.997 -23.296 1.00 0.00 N ATOM 999 CA ASP A 140 22.375 -7.035 -24.098 1.00 0.00 C ATOM 1000 C ASP A 140 21.683 -5.676 -24.096 1.00 0.00 C ATOM 1001 O ASP A 140 22.341 -4.636 -24.166 1.00 0.00 O ATOM 1002 CB ASP A 140 22.499 -7.544 -25.536 1.00 0.00 C ATOM 1003 CG ASP A 140 23.492 -6.683 -26.310 1.00 0.00 C ATOM 1004 OD1 ASP A 140 23.850 -5.631 -25.810 1.00 0.00 O ATOM 1005 OD2 ASP A 140 23.881 -7.092 -27.392 1.00 0.00 O ATOM 0 H ASP A 140 21.148 -8.718 -23.833 1.00 0.00 H new ATOM 0 HA ASP A 140 23.368 -6.921 -23.662 1.00 0.00 H new ATOM 0 HB2 ASP A 140 22.829 -8.583 -25.536 1.00 0.00 H new ATOM 0 HB3 ASP A 140 21.525 -7.519 -26.025 1.00 0.00 H new ATOM 1010 N PHE A 141 20.356 -5.693 -24.020 1.00 0.00 N ATOM 1011 CA PHE A 141 19.589 -4.454 -24.020 1.00 0.00 C ATOM 1012 C PHE A 141 18.962 -4.213 -22.650 1.00 0.00 C ATOM 1013 O PHE A 141 18.237 -5.065 -22.132 1.00 0.00 O ATOM 1014 CB PHE A 141 18.485 -4.522 -25.079 1.00 0.00 C ATOM 1015 CG PHE A 141 17.312 -5.307 -24.541 1.00 0.00 C ATOM 1016 CD1 PHE A 141 17.311 -6.703 -24.609 1.00 0.00 C ATOM 1017 CD2 PHE A 141 16.226 -4.632 -23.968 1.00 0.00 C ATOM 1018 CE1 PHE A 141 16.223 -7.427 -24.106 1.00 0.00 C ATOM 1019 CE2 PHE A 141 15.139 -5.356 -23.465 1.00 0.00 C ATOM 1020 CZ PHE A 141 15.138 -6.754 -23.534 1.00 0.00 C ATOM 0 H PHE A 141 19.795 -6.542 -23.958 1.00 0.00 H new ATOM 0 HA PHE A 141 20.265 -3.631 -24.250 1.00 0.00 H new ATOM 0 HB2 PHE A 141 18.167 -3.516 -25.352 1.00 0.00 H new ATOM 0 HB3 PHE A 141 18.865 -4.993 -25.985 1.00 0.00 H new ATOM 0 HD1 PHE A 141 18.149 -7.223 -25.049 1.00 0.00 H new ATOM 0 HD2 PHE A 141 16.228 -3.553 -23.915 1.00 0.00 H new ATOM 0 HE1 PHE A 141 16.221 -8.506 -24.160 1.00 0.00 H new ATOM 0 HE2 PHE A 141 14.301 -4.836 -23.024 1.00 0.00 H new ATOM 0 HZ PHE A 141 14.300 -7.313 -23.146 1.00 0.00 H new ATOM 1030 N ASP A 142 19.241 -3.049 -22.072 1.00 0.00 N ATOM 1031 CA ASP A 142 18.687 -2.701 -20.768 1.00 0.00 C ATOM 1032 C ASP A 142 17.882 -1.409 -20.863 1.00 0.00 C ATOM 1033 O ASP A 142 18.437 -0.313 -20.787 1.00 0.00 O ATOM 1034 CB ASP A 142 19.814 -2.534 -19.750 1.00 0.00 C ATOM 1035 CG ASP A 142 19.233 -2.196 -18.381 1.00 0.00 C ATOM 1036 OD1 ASP A 142 18.946 -3.119 -17.639 1.00 0.00 O ATOM 1037 OD2 ASP A 142 19.080 -1.019 -18.099 1.00 0.00 O ATOM 0 H ASP A 142 19.843 -2.335 -22.482 1.00 0.00 H new ATOM 0 HA ASP A 142 18.027 -3.505 -20.443 1.00 0.00 H new ATOM 0 HB2 ASP A 142 20.400 -3.451 -19.689 1.00 0.00 H new ATOM 0 HB3 ASP A 142 20.492 -1.744 -20.072 1.00 0.00 H new ATOM 1042 N PHE A 143 16.570 -1.543 -21.027 1.00 0.00 N ATOM 1043 CA PHE A 143 15.698 -0.379 -21.135 1.00 0.00 C ATOM 1044 C PHE A 143 15.695 0.422 -19.839 1.00 0.00 C ATOM 1045 O PHE A 143 15.026 0.070 -18.871 1.00 0.00 O ATOM 1046 CB PHE A 143 14.273 -0.825 -21.473 1.00 0.00 C ATOM 1047 CG PHE A 143 13.668 -1.541 -20.289 1.00 0.00 C ATOM 1048 CD1 PHE A 143 14.012 -2.870 -20.025 1.00 0.00 C ATOM 1049 CD2 PHE A 143 12.774 -0.867 -19.444 1.00 0.00 C ATOM 1050 CE1 PHE A 143 13.462 -3.529 -18.920 1.00 0.00 C ATOM 1051 CE2 PHE A 143 12.226 -1.526 -18.339 1.00 0.00 C ATOM 1052 CZ PHE A 143 12.571 -2.857 -18.077 1.00 0.00 C ATOM 0 H PHE A 143 16.089 -2.441 -21.088 1.00 0.00 H new ATOM 0 HA PHE A 143 16.077 0.260 -21.933 1.00 0.00 H new ATOM 0 HB2 PHE A 143 13.664 0.040 -21.737 1.00 0.00 H new ATOM 0 HB3 PHE A 143 14.284 -1.484 -22.341 1.00 0.00 H new ATOM 0 HD1 PHE A 143 14.702 -3.388 -20.674 1.00 0.00 H new ATOM 0 HD2 PHE A 143 12.509 0.160 -19.647 1.00 0.00 H new ATOM 0 HE1 PHE A 143 13.726 -4.557 -18.718 1.00 0.00 H new ATOM 0 HE2 PHE A 143 11.537 -1.008 -17.688 1.00 0.00 H new ATOM 0 HZ PHE A 143 12.149 -3.366 -17.223 1.00 0.00 H new