USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=14 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 112 SER OG : rot 180:sc= 0.0335 USER MOD Set 1.2: A 114 GLN : amide:sc= -0.0293 X(o=-3.9,f=-4.1) USER MOD Set 1.3: A 127 TYR OH : rot 180:sc= 0.00214 USER MOD Set 1.4: A 131 ASN :FLIP amide:sc= -3.95! C(o=-5.6!,f=-3.9!) USER MOD Set 2.1: A 122 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 126 ASN : amide:sc=-0.00497 K(o=-0.005,f=-0.81) USER MOD Set 3.1: A 120 SER OG : rot -111:sc= -0.0838! USER MOD Set 3.2: A 123 SER OG : rot 60:sc= 0.753 USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -160:sc= -0.0665 (180deg=-0.529) USER MOD Single : A 96 GLN : amide:sc= -5.71! C(o=-5.7!,f=-5.5!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -170:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= -2.41! USER MOD Single : A 117 LYS NZ :NH3+ 156:sc= -0.0998 (180deg=-0.881) USER MOD Single : A 121 LYS NZ :NH3+ 149:sc= -0.187 (180deg=-1.17!) 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 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 87 24.009 -0.392 -25.382 1.00 0.00 N ATOM 135 CA PRO A 87 24.759 -1.262 -26.339 1.00 0.00 C ATOM 136 C PRO A 87 24.991 -0.572 -27.680 1.00 0.00 C ATOM 137 O PRO A 87 24.117 0.129 -28.189 1.00 0.00 O ATOM 138 CB PRO A 87 23.840 -2.476 -26.507 1.00 0.00 C ATOM 139 CG PRO A 87 23.022 -2.527 -25.262 1.00 0.00 C ATOM 140 CD PRO A 87 22.837 -1.084 -24.820 1.00 0.00 C ATOM 0 HA PRO A 87 25.754 -1.515 -25.974 1.00 0.00 H new ATOM 0 HB2 PRO A 87 23.208 -2.371 -27.389 1.00 0.00 H new ATOM 0 HB3 PRO A 87 24.418 -3.391 -26.636 1.00 0.00 H new ATOM 0 HG2 PRO A 87 22.060 -3.004 -25.447 1.00 0.00 H new ATOM 0 HG3 PRO A 87 23.524 -3.110 -24.490 1.00 0.00 H new ATOM 0 HD2 PRO A 87 21.905 -0.666 -25.200 1.00 0.00 H new ATOM 0 HD3 PRO A 87 22.805 -0.999 -23.734 1.00 0.00 H new ATOM 148 N CYS A 88 26.181 -0.769 -28.238 1.00 0.00 N ATOM 149 CA CYS A 88 26.526 -0.157 -29.515 1.00 0.00 C ATOM 150 C CYS A 88 25.798 -0.851 -30.661 1.00 0.00 C ATOM 151 O CYS A 88 25.596 -2.065 -30.637 1.00 0.00 O ATOM 152 CB CYS A 88 28.037 -0.244 -29.743 1.00 0.00 C ATOM 153 SG CYS A 88 28.895 0.742 -28.491 1.00 0.00 S ATOM 0 H CYS A 88 26.918 -1.344 -27.829 1.00 0.00 H new ATOM 0 HA CYS A 88 26.220 0.889 -29.488 1.00 0.00 H new ATOM 0 HB2 CYS A 88 28.364 -1.282 -29.690 1.00 0.00 H new ATOM 0 HB3 CYS A 88 28.286 0.118 -30.740 1.00 0.00 H new ATOM 0 HG CYS A 88 30.178 0.666 -28.683 1.00 0.00 H new ATOM 159 N GLY A 89 25.411 -0.072 -31.664 1.00 0.00 N ATOM 160 CA GLY A 89 24.708 -0.616 -32.819 1.00 0.00 C ATOM 161 C GLY A 89 23.198 -0.463 -32.666 1.00 0.00 C ATOM 162 O GLY A 89 22.454 -0.567 -33.639 1.00 0.00 O ATOM 0 H GLY A 89 25.571 0.935 -31.701 1.00 0.00 H new ATOM 0 HA2 GLY A 89 25.038 -0.105 -33.723 1.00 0.00 H new ATOM 0 HA3 GLY A 89 24.959 -1.670 -32.938 1.00 0.00 H new ATOM 166 N TRP A 90 22.753 -0.209 -31.442 1.00 0.00 N ATOM 167 CA TRP A 90 21.329 -0.042 -31.176 1.00 0.00 C ATOM 168 C TRP A 90 20.977 1.437 -31.055 1.00 0.00 C ATOM 169 O TRP A 90 21.784 2.237 -30.580 1.00 0.00 O ATOM 170 CB TRP A 90 20.955 -0.767 -29.884 1.00 0.00 C ATOM 171 CG TRP A 90 21.114 -2.241 -30.077 1.00 0.00 C ATOM 172 CD1 TRP A 90 22.278 -2.918 -29.948 1.00 0.00 C ATOM 173 CD2 TRP A 90 20.102 -3.230 -30.425 1.00 0.00 C ATOM 174 NE1 TRP A 90 22.046 -4.258 -30.197 1.00 0.00 N ATOM 175 CE2 TRP A 90 20.720 -4.501 -30.496 1.00 0.00 C ATOM 176 CE3 TRP A 90 18.723 -3.149 -30.683 1.00 0.00 C ATOM 177 CZ2 TRP A 90 19.995 -5.650 -30.813 1.00 0.00 C ATOM 178 CZ3 TRP A 90 17.990 -4.306 -31.005 1.00 0.00 C ATOM 179 CH2 TRP A 90 18.627 -5.551 -31.069 1.00 0.00 C ATOM 0 H TRP A 90 23.353 -0.114 -30.622 1.00 0.00 H new ATOM 0 HA TRP A 90 20.768 -0.468 -32.008 1.00 0.00 H new ATOM 0 HB2 TRP A 90 21.589 -0.426 -29.066 1.00 0.00 H new ATOM 0 HB3 TRP A 90 19.927 -0.534 -29.608 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.233 -2.483 -29.692 1.00 0.00 H new ATOM 0 HE1 TRP A 90 22.767 -4.979 -30.164 1.00 0.00 H new ATOM 0 HE3 TRP A 90 18.223 -2.193 -30.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 20.489 -6.609 -30.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 16.931 -4.233 -31.204 1.00 0.00 H new ATOM 0 HH2 TRP A 90 18.059 -6.436 -31.317 1.00 0.00 H new ATOM 190 N GLU A 91 19.771 1.791 -31.485 1.00 0.00 N ATOM 191 CA GLU A 91 19.322 3.177 -31.419 1.00 0.00 C ATOM 192 C GLU A 91 18.282 3.346 -30.319 1.00 0.00 C ATOM 193 O GLU A 91 17.526 2.421 -30.023 1.00 0.00 O ATOM 194 CB GLU A 91 18.716 3.597 -32.759 1.00 0.00 C ATOM 195 CG GLU A 91 19.785 3.508 -33.850 1.00 0.00 C ATOM 196 CD GLU A 91 19.200 3.943 -35.189 1.00 0.00 C ATOM 197 OE1 GLU A 91 18.613 5.011 -35.237 1.00 0.00 O ATOM 198 OE2 GLU A 91 19.349 3.202 -36.147 1.00 0.00 O ATOM 0 H GLU A 91 19.091 1.142 -31.881 1.00 0.00 H new ATOM 0 HA GLU A 91 20.183 3.808 -31.197 1.00 0.00 H new ATOM 0 HB2 GLU A 91 17.873 2.953 -33.007 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.331 4.615 -32.694 1.00 0.00 H new ATOM 0 HG2 GLU A 91 20.634 4.141 -33.592 1.00 0.00 H new ATOM 0 HG3 GLU A 91 20.159 2.487 -33.922 1.00 0.00 H new ATOM 205 N ARG A 92 18.252 4.533 -29.714 1.00 0.00 N ATOM 206 CA ARG A 92 17.304 4.819 -28.644 1.00 0.00 C ATOM 207 C ARG A 92 16.377 5.960 -29.046 1.00 0.00 C ATOM 208 O ARG A 92 16.831 7.037 -29.431 1.00 0.00 O ATOM 209 CB ARG A 92 18.055 5.197 -27.366 1.00 0.00 C ATOM 210 CG ARG A 92 19.379 5.871 -27.733 1.00 0.00 C ATOM 211 CD ARG A 92 19.910 6.646 -26.525 1.00 0.00 C ATOM 212 NE ARG A 92 19.595 5.935 -25.291 1.00 0.00 N ATOM 213 CZ ARG A 92 19.624 6.555 -24.116 1.00 0.00 C ATOM 214 NH1 ARG A 92 19.939 7.820 -24.053 1.00 0.00 N ATOM 215 NH2 ARG A 92 19.334 5.899 -23.025 1.00 0.00 N ATOM 0 H ARG A 92 18.872 5.308 -29.947 1.00 0.00 H new ATOM 0 HA ARG A 92 16.708 3.925 -28.462 1.00 0.00 H new ATOM 0 HB2 ARG A 92 17.448 5.870 -26.760 1.00 0.00 H new ATOM 0 HB3 ARG A 92 18.242 4.307 -26.765 1.00 0.00 H new ATOM 0 HG2 ARG A 92 20.106 5.122 -28.046 1.00 0.00 H new ATOM 0 HG3 ARG A 92 19.234 6.546 -28.576 1.00 0.00 H new ATOM 0 HD2 ARG A 92 20.989 6.776 -26.613 1.00 0.00 H new ATOM 0 HD3 ARG A 92 19.470 7.643 -26.501 1.00 0.00 H new ATOM 0 HE ARG A 92 19.349 4.946 -25.331 1.00 0.00 H new ATOM 0 HH11 ARG A 92 20.163 8.333 -24.906 1.00 0.00 H new ATOM 0 HH12 ARG A 92 19.961 8.296 -23.151 1.00 0.00 H new ATOM 0 HH21 ARG A 92 19.085 4.911 -23.075 1.00 0.00 H new ATOM 0 HH22 ARG A 92 19.356 6.374 -22.123 1.00 0.00 H new ATOM 229 N VAL A 93 15.076 5.709 -28.950 1.00 0.00 N ATOM 230 CA VAL A 93 14.074 6.711 -29.301 1.00 0.00 C ATOM 231 C VAL A 93 13.079 6.906 -28.169 1.00 0.00 C ATOM 232 O VAL A 93 12.527 5.937 -27.650 1.00 0.00 O ATOM 233 CB VAL A 93 13.331 6.287 -30.567 1.00 0.00 C ATOM 234 CG1 VAL A 93 12.107 7.185 -30.755 1.00 0.00 C ATOM 235 CG2 VAL A 93 14.259 6.447 -31.774 1.00 0.00 C ATOM 0 H VAL A 93 14.690 4.820 -28.632 1.00 0.00 H new ATOM 0 HA VAL A 93 14.588 7.656 -29.478 1.00 0.00 H new ATOM 0 HB VAL A 93 13.017 5.247 -30.478 1.00 0.00 H new ATOM 0 HG11 VAL A 93 11.572 6.887 -31.657 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.447 7.086 -29.893 1.00 0.00 H new ATOM 0 HG13 VAL A 93 12.428 8.222 -30.849 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.733 6.146 -32.680 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.565 7.489 -31.862 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.141 5.820 -31.641 1.00 0.00 H new ATOM 245 N VAL A 94 12.855 8.163 -27.791 1.00 0.00 N ATOM 246 CA VAL A 94 11.918 8.472 -26.718 1.00 0.00 C ATOM 247 C VAL A 94 10.837 9.432 -27.207 1.00 0.00 C ATOM 248 O VAL A 94 11.138 10.497 -27.746 1.00 0.00 O ATOM 249 CB VAL A 94 12.664 9.105 -25.540 1.00 0.00 C ATOM 250 CG1 VAL A 94 13.755 8.150 -25.053 1.00 0.00 C ATOM 251 CG2 VAL A 94 13.304 10.420 -25.992 1.00 0.00 C ATOM 0 H VAL A 94 13.306 8.977 -28.209 1.00 0.00 H new ATOM 0 HA VAL A 94 11.446 7.543 -26.397 1.00 0.00 H new ATOM 0 HB VAL A 94 11.963 9.299 -24.728 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.286 8.601 -24.215 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.301 7.212 -24.733 1.00 0.00 H new ATOM 0 HG13 VAL A 94 14.457 7.955 -25.864 1.00 0.00 H new ATOM 0 HG21 VAL A 94 13.836 10.872 -25.155 1.00 0.00 H new ATOM 0 HG22 VAL A 94 14.005 10.224 -26.803 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.528 11.102 -26.340 1.00 0.00 H new ATOM 261 N LYS A 95 9.581 9.046 -27.004 1.00 0.00 N ATOM 262 CA LYS A 95 8.452 9.878 -27.419 1.00 0.00 C ATOM 263 C LYS A 95 7.468 10.064 -26.273 1.00 0.00 C ATOM 264 O LYS A 95 6.964 9.095 -25.707 1.00 0.00 O ATOM 265 CB LYS A 95 7.738 9.238 -28.610 1.00 0.00 C ATOM 266 CG LYS A 95 8.600 9.383 -29.865 1.00 0.00 C ATOM 267 CD LYS A 95 7.902 8.703 -31.045 1.00 0.00 C ATOM 268 CE LYS A 95 8.716 8.927 -32.320 1.00 0.00 C ATOM 269 NZ LYS A 95 8.687 10.374 -32.676 1.00 0.00 N ATOM 0 H LYS A 95 9.318 8.168 -26.557 1.00 0.00 H new ATOM 0 HA LYS A 95 8.838 10.855 -27.710 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.546 8.184 -28.408 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.770 9.714 -28.765 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.766 10.438 -30.085 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.579 8.934 -29.700 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.796 7.635 -30.852 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.897 9.106 -31.168 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.744 8.598 -32.171 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.306 8.332 -33.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.931 10.489 -33.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.734 10.755 -32.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.376 10.889 -32.091 1.00 0.00 H new ATOM 283 N GLN A 96 7.202 11.320 -25.930 1.00 0.00 N ATOM 284 CA GLN A 96 6.282 11.613 -24.843 1.00 0.00 C ATOM 285 C GLN A 96 4.881 11.867 -25.389 1.00 0.00 C ATOM 286 O GLN A 96 4.708 12.567 -26.385 1.00 0.00 O ATOM 287 CB GLN A 96 6.760 12.847 -24.065 1.00 0.00 C ATOM 288 CG GLN A 96 6.244 12.792 -22.621 1.00 0.00 C ATOM 289 CD GLN A 96 4.745 13.059 -22.590 1.00 0.00 C ATOM 290 OE1 GLN A 96 4.251 13.886 -23.351 1.00 0.00 O ATOM 291 NE2 GLN A 96 3.992 12.399 -21.756 1.00 0.00 N ATOM 0 H GLN A 96 7.605 12.140 -26.383 1.00 0.00 H new ATOM 0 HA GLN A 96 6.254 10.753 -24.173 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.849 12.890 -24.069 1.00 0.00 H new ATOM 0 HB3 GLN A 96 6.404 13.754 -24.552 1.00 0.00 H new ATOM 0 HG2 GLN A 96 6.456 11.814 -22.188 1.00 0.00 H new ATOM 0 HG3 GLN A 96 6.765 13.530 -22.012 1.00 0.00 H new ATOM 0 HE21 GLN A 96 4.408 11.713 -21.126 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.986 12.568 -21.733 1.00 0.00 H new ATOM 300 N ARG A 97 3.884 11.287 -24.730 1.00 0.00 N ATOM 301 CA ARG A 97 2.497 11.456 -25.156 1.00 0.00 C ATOM 302 C ARG A 97 1.976 12.834 -24.773 1.00 0.00 C ATOM 303 O ARG A 97 2.014 13.219 -23.605 1.00 0.00 O ATOM 304 CB ARG A 97 1.611 10.385 -24.523 1.00 0.00 C ATOM 305 CG ARG A 97 1.499 9.184 -25.467 1.00 0.00 C ATOM 306 CD ARG A 97 0.571 8.135 -24.856 1.00 0.00 C ATOM 307 NE ARG A 97 1.348 7.044 -24.282 1.00 0.00 N ATOM 308 CZ ARG A 97 0.755 6.033 -23.655 1.00 0.00 C ATOM 309 NH1 ARG A 97 -0.544 6.008 -23.543 1.00 0.00 N ATOM 310 NH2 ARG A 97 1.473 5.071 -23.143 1.00 0.00 N ATOM 0 H ARG A 97 4.007 10.700 -23.905 1.00 0.00 H new ATOM 0 HA ARG A 97 2.466 11.356 -26.241 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.030 10.071 -23.567 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.621 10.793 -24.318 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.114 9.505 -26.435 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.485 8.754 -25.642 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.049 8.593 -24.086 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.103 7.748 -25.620 1.00 0.00 H new ATOM 0 HE ARG A 97 2.365 7.056 -24.363 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -1.104 6.764 -23.936 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -1.000 5.232 -23.062 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.490 5.095 -23.224 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.018 4.295 -22.662 1.00 0.00 H new ATOM 324 N LEU A 98 1.494 13.576 -25.765 1.00 0.00 N ATOM 325 CA LEU A 98 0.980 14.915 -25.516 1.00 0.00 C ATOM 326 C LEU A 98 -0.529 14.894 -25.334 1.00 0.00 C ATOM 327 O LEU A 98 -1.112 15.862 -24.849 1.00 0.00 O ATOM 328 CB LEU A 98 1.335 15.835 -26.692 1.00 0.00 C ATOM 329 CG LEU A 98 2.798 16.281 -26.589 1.00 0.00 C ATOM 330 CD1 LEU A 98 2.993 17.165 -25.351 1.00 0.00 C ATOM 331 CD2 LEU A 98 3.690 15.045 -26.474 1.00 0.00 C ATOM 0 H LEU A 98 1.449 13.275 -26.739 1.00 0.00 H new ATOM 0 HA LEU A 98 1.437 15.289 -24.600 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.171 15.313 -27.635 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.680 16.706 -26.693 1.00 0.00 H new ATOM 0 HG LEU A 98 3.064 16.852 -27.479 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.036 17.477 -25.287 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.355 18.046 -25.429 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.727 16.602 -24.456 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.733 15.354 -26.400 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.415 14.480 -25.583 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.559 14.418 -27.356 1.00 0.00 H new ATOM 343 N PHE A 99 -1.155 13.793 -25.736 1.00 0.00 N ATOM 344 CA PHE A 99 -2.601 13.677 -25.619 1.00 0.00 C ATOM 345 C PHE A 99 -2.982 12.324 -25.024 1.00 0.00 C ATOM 346 O PHE A 99 -2.380 11.302 -25.351 1.00 0.00 O ATOM 347 CB PHE A 99 -3.231 13.801 -27.004 1.00 0.00 C ATOM 348 CG PHE A 99 -2.646 14.998 -27.715 1.00 0.00 C ATOM 349 CD1 PHE A 99 -1.472 14.845 -28.465 1.00 0.00 C ATOM 350 CD2 PHE A 99 -3.269 16.248 -27.634 1.00 0.00 C ATOM 351 CE1 PHE A 99 -0.920 15.947 -29.131 1.00 0.00 C ATOM 352 CE2 PHE A 99 -2.716 17.349 -28.302 1.00 0.00 C ATOM 353 CZ PHE A 99 -1.541 17.199 -29.049 1.00 0.00 C ATOM 0 H PHE A 99 -0.690 12.980 -26.140 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.963 14.470 -24.965 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.047 12.895 -27.582 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.312 13.909 -26.916 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.994 13.879 -28.529 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.175 16.364 -27.058 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.015 15.831 -29.708 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.197 18.314 -28.241 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.114 18.049 -29.561 1.00 0.00 H new ATOM 363 N GLY A 100 -3.983 12.331 -24.152 1.00 0.00 N ATOM 364 CA GLY A 100 -4.445 11.097 -23.517 1.00 0.00 C ATOM 365 C GLY A 100 -4.524 11.254 -22.002 1.00 0.00 C ATOM 366 O GLY A 100 -3.808 12.061 -21.411 1.00 0.00 O ATOM 0 H GLY A 100 -4.489 13.170 -23.868 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.426 10.828 -23.909 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.767 10.281 -23.766 1.00 0.00 H new ATOM 370 N LYS A 101 -5.405 10.477 -21.381 1.00 0.00 N ATOM 371 CA LYS A 101 -5.578 10.544 -19.936 1.00 0.00 C ATOM 372 C LYS A 101 -4.312 10.063 -19.234 1.00 0.00 C ATOM 373 O LYS A 101 -3.874 10.652 -18.246 1.00 0.00 O ATOM 374 CB LYS A 101 -6.752 9.660 -19.515 1.00 0.00 C ATOM 375 CG LYS A 101 -8.025 10.117 -20.243 1.00 0.00 C ATOM 376 CD LYS A 101 -8.856 8.893 -20.637 1.00 0.00 C ATOM 377 CE LYS A 101 -8.093 8.057 -21.676 1.00 0.00 C ATOM 378 NZ LYS A 101 -9.015 7.667 -22.776 1.00 0.00 N ATOM 0 H LYS A 101 -6.005 9.799 -21.851 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.777 11.578 -19.654 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.539 8.618 -19.752 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.896 9.719 -18.436 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.609 10.774 -19.599 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.762 10.692 -21.131 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.069 8.288 -19.756 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.816 9.210 -21.046 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.256 8.630 -22.075 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.675 7.167 -21.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.497 7.101 -23.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.799 7.105 -22.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.394 8.522 -23.231 1.00 0.00 H new ATOM 392 N THR A 102 -3.724 8.989 -19.761 1.00 0.00 N ATOM 393 CA THR A 102 -2.508 8.437 -19.177 1.00 0.00 C ATOM 394 C THR A 102 -1.317 9.322 -19.502 1.00 0.00 C ATOM 395 O THR A 102 -0.246 9.162 -18.915 1.00 0.00 O ATOM 396 CB THR A 102 -2.255 7.029 -19.711 1.00 0.00 C ATOM 397 OG1 THR A 102 -2.070 7.083 -21.117 1.00 0.00 O ATOM 398 CG2 THR A 102 -3.453 6.138 -19.384 1.00 0.00 C ATOM 0 H THR A 102 -4.067 8.491 -20.582 1.00 0.00 H new ATOM 0 HA THR A 102 -2.637 8.393 -18.096 1.00 0.00 H new ATOM 0 HB THR A 102 -1.360 6.617 -19.244 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.065 6.173 -21.482 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.273 5.133 -19.765 1.00 0.00 H new ATOM 0 HG22 THR A 102 -3.592 6.097 -18.304 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.349 6.548 -19.850 1.00 0.00 H new ATOM 406 N ALA A 103 -1.510 10.251 -20.443 1.00 0.00 N ATOM 407 CA ALA A 103 -0.445 11.163 -20.843 1.00 0.00 C ATOM 408 C ALA A 103 0.393 11.577 -19.635 1.00 0.00 C ATOM 409 O ALA A 103 -0.026 11.430 -18.487 1.00 0.00 O ATOM 410 CB ALA A 103 -1.049 12.411 -21.497 1.00 0.00 C ATOM 0 H ALA A 103 -2.391 10.388 -20.938 1.00 0.00 H new ATOM 0 HA ALA A 103 0.199 10.649 -21.557 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.249 13.089 -21.794 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.623 12.119 -22.377 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.705 12.913 -20.786 1.00 0.00 H new ATOM 416 N GLY A 104 1.586 12.083 -19.907 1.00 0.00 N ATOM 417 CA GLY A 104 2.493 12.503 -18.841 1.00 0.00 C ATOM 418 C GLY A 104 3.599 11.469 -18.636 1.00 0.00 C ATOM 419 O GLY A 104 4.661 11.781 -18.099 1.00 0.00 O ATOM 0 H GLY A 104 1.951 12.214 -20.851 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.933 13.469 -19.090 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.936 12.636 -17.914 1.00 0.00 H new ATOM 423 N ARG A 105 3.349 10.243 -19.086 1.00 0.00 N ATOM 424 CA ARG A 105 4.335 9.174 -18.966 1.00 0.00 C ATOM 425 C ARG A 105 5.347 9.261 -20.102 1.00 0.00 C ATOM 426 O ARG A 105 5.174 10.051 -21.030 1.00 0.00 O ATOM 427 CB ARG A 105 3.645 7.811 -18.993 1.00 0.00 C ATOM 428 CG ARG A 105 2.889 7.651 -20.312 1.00 0.00 C ATOM 429 CD ARG A 105 1.916 6.479 -20.199 1.00 0.00 C ATOM 430 NE ARG A 105 2.644 5.233 -19.994 1.00 0.00 N ATOM 431 CZ ARG A 105 2.005 4.109 -19.687 1.00 0.00 C ATOM 432 NH1 ARG A 105 0.707 4.110 -19.563 1.00 0.00 N ATOM 433 NH2 ARG A 105 2.678 3.005 -19.508 1.00 0.00 N ATOM 0 H ARG A 105 2.476 9.966 -19.535 1.00 0.00 H new ATOM 0 HA ARG A 105 4.856 9.289 -18.015 1.00 0.00 H new ATOM 0 HB2 ARG A 105 4.382 7.016 -18.885 1.00 0.00 H new ATOM 0 HB3 ARG A 105 2.956 7.723 -18.153 1.00 0.00 H new ATOM 0 HG2 ARG A 105 2.347 8.567 -20.547 1.00 0.00 H new ATOM 0 HG3 ARG A 105 3.591 7.478 -21.128 1.00 0.00 H new ATOM 0 HD2 ARG A 105 1.229 6.647 -19.370 1.00 0.00 H new ATOM 0 HD3 ARG A 105 1.312 6.410 -21.104 1.00 0.00 H new ATOM 0 HE ARG A 105 3.660 5.224 -20.088 1.00 0.00 H new ATOM 0 HH11 ARG A 105 0.182 4.974 -19.702 1.00 0.00 H new ATOM 0 HH12 ARG A 105 0.217 3.247 -19.327 1.00 0.00 H new ATOM 0 HH21 ARG A 105 3.693 3.006 -19.604 1.00 0.00 H new ATOM 0 HH22 ARG A 105 2.188 2.142 -19.272 1.00 0.00 H new ATOM 447 N PHE A 106 6.401 8.452 -20.019 1.00 0.00 N ATOM 448 CA PHE A 106 7.435 8.449 -21.047 1.00 0.00 C ATOM 449 C PHE A 106 7.443 7.120 -21.799 1.00 0.00 C ATOM 450 O PHE A 106 7.351 6.052 -21.194 1.00 0.00 O ATOM 451 CB PHE A 106 8.803 8.673 -20.402 1.00 0.00 C ATOM 452 CG PHE A 106 8.834 10.031 -19.744 1.00 0.00 C ATOM 453 CD1 PHE A 106 9.218 11.158 -20.480 1.00 0.00 C ATOM 454 CD2 PHE A 106 8.481 10.165 -18.395 1.00 0.00 C ATOM 455 CE1 PHE A 106 9.247 12.417 -19.869 1.00 0.00 C ATOM 456 CE2 PHE A 106 8.510 11.423 -17.784 1.00 0.00 C ATOM 457 CZ PHE A 106 8.892 12.550 -18.521 1.00 0.00 C ATOM 0 H PHE A 106 6.560 7.795 -19.255 1.00 0.00 H new ATOM 0 HA PHE A 106 7.223 9.252 -21.753 1.00 0.00 H new ATOM 0 HB2 PHE A 106 9.001 7.895 -19.664 1.00 0.00 H new ATOM 0 HB3 PHE A 106 9.588 8.604 -21.156 1.00 0.00 H new ATOM 0 HD1 PHE A 106 9.492 11.056 -21.520 1.00 0.00 H new ATOM 0 HD2 PHE A 106 8.186 9.296 -17.826 1.00 0.00 H new ATOM 0 HE1 PHE A 106 9.543 13.286 -20.437 1.00 0.00 H new ATOM 0 HE2 PHE A 106 8.238 11.525 -16.744 1.00 0.00 H new ATOM 0 HZ PHE A 106 8.913 13.522 -18.050 1.00 0.00 H new ATOM 467 N ASP A 107 7.567 7.200 -23.122 1.00 0.00 N ATOM 468 CA ASP A 107 7.600 6.002 -23.958 1.00 0.00 C ATOM 469 C ASP A 107 8.929 5.918 -24.695 1.00 0.00 C ATOM 470 O ASP A 107 9.357 6.877 -25.338 1.00 0.00 O ATOM 471 CB ASP A 107 6.446 6.018 -24.962 1.00 0.00 C ATOM 472 CG ASP A 107 5.134 6.308 -24.239 1.00 0.00 C ATOM 473 OD1 ASP A 107 4.498 5.361 -23.804 1.00 0.00 O ATOM 474 OD2 ASP A 107 4.784 7.471 -24.130 1.00 0.00 O ATOM 0 H ASP A 107 7.646 8.077 -23.636 1.00 0.00 H new ATOM 0 HA ASP A 107 7.491 5.127 -23.317 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.626 6.775 -25.725 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.385 5.058 -25.474 1.00 0.00 H new ATOM 479 N VAL A 108 9.584 4.767 -24.586 1.00 0.00 N ATOM 480 CA VAL A 108 10.872 4.576 -25.242 1.00 0.00 C ATOM 481 C VAL A 108 10.997 3.165 -25.815 1.00 0.00 C ATOM 482 O VAL A 108 10.407 2.217 -25.297 1.00 0.00 O ATOM 483 CB VAL A 108 11.998 4.808 -24.235 1.00 0.00 C ATOM 484 CG1 VAL A 108 11.764 6.124 -23.491 1.00 0.00 C ATOM 485 CG2 VAL A 108 12.028 3.656 -23.233 1.00 0.00 C ATOM 0 H VAL A 108 9.250 3.962 -24.057 1.00 0.00 H new ATOM 0 HA VAL A 108 10.944 5.291 -26.061 1.00 0.00 H new ATOM 0 HB VAL A 108 12.950 4.858 -24.764 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.569 6.285 -22.774 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.744 6.947 -24.205 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.812 6.079 -22.963 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.831 3.820 -22.514 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.074 3.606 -22.707 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.200 2.718 -23.762 1.00 0.00 H new ATOM 495 N TYR A 109 11.779 3.031 -26.879 1.00 0.00 N ATOM 496 CA TYR A 109 11.993 1.728 -27.500 1.00 0.00 C ATOM 497 C TYR A 109 13.318 1.710 -28.251 1.00 0.00 C ATOM 498 O TYR A 109 13.847 2.760 -28.616 1.00 0.00 O ATOM 499 CB TYR A 109 10.837 1.401 -28.452 1.00 0.00 C ATOM 500 CG TYR A 109 10.752 2.454 -29.524 1.00 0.00 C ATOM 501 CD1 TYR A 109 9.977 3.600 -29.316 1.00 0.00 C ATOM 502 CD2 TYR A 109 11.451 2.289 -30.721 1.00 0.00 C ATOM 503 CE1 TYR A 109 9.898 4.581 -30.311 1.00 0.00 C ATOM 504 CE2 TYR A 109 11.373 3.270 -31.717 1.00 0.00 C ATOM 505 CZ TYR A 109 10.596 4.416 -31.512 1.00 0.00 C ATOM 506 OH TYR A 109 10.520 5.384 -32.493 1.00 0.00 O ATOM 0 H TYR A 109 12.273 3.802 -27.328 1.00 0.00 H new ATOM 0 HA TYR A 109 12.028 0.970 -26.718 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.990 0.420 -28.903 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.899 1.355 -27.899 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.440 3.728 -28.388 1.00 0.00 H new ATOM 0 HD2 TYR A 109 12.052 1.405 -30.879 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.298 5.465 -30.152 1.00 0.00 H new ATOM 0 HE2 TYR A 109 11.913 3.142 -32.644 1.00 0.00 H new ATOM 0 HH TYR A 109 11.065 5.114 -33.262 1.00 0.00 H new ATOM 516 N PHE A 110 13.852 0.513 -28.472 1.00 0.00 N ATOM 517 CA PHE A 110 15.126 0.370 -29.170 1.00 0.00 C ATOM 518 C PHE A 110 14.926 -0.243 -30.549 1.00 0.00 C ATOM 519 O PHE A 110 14.084 -1.121 -30.731 1.00 0.00 O ATOM 520 CB PHE A 110 16.062 -0.517 -28.345 1.00 0.00 C ATOM 521 CG PHE A 110 15.318 -1.750 -27.888 1.00 0.00 C ATOM 522 CD1 PHE A 110 14.502 -1.693 -26.753 1.00 0.00 C ATOM 523 CD2 PHE A 110 15.438 -2.949 -28.599 1.00 0.00 C ATOM 524 CE1 PHE A 110 13.807 -2.833 -26.329 1.00 0.00 C ATOM 525 CE2 PHE A 110 14.745 -4.091 -28.176 1.00 0.00 C ATOM 526 CZ PHE A 110 13.929 -4.031 -27.041 1.00 0.00 C ATOM 0 H PHE A 110 13.426 -0.367 -28.180 1.00 0.00 H new ATOM 0 HA PHE A 110 15.566 1.360 -29.295 1.00 0.00 H new ATOM 0 HB2 PHE A 110 16.928 -0.803 -28.941 1.00 0.00 H new ATOM 0 HB3 PHE A 110 16.436 0.035 -27.483 1.00 0.00 H new ATOM 0 HD1 PHE A 110 14.408 -0.768 -26.203 1.00 0.00 H new ATOM 0 HD2 PHE A 110 16.066 -2.994 -29.476 1.00 0.00 H new ATOM 0 HE1 PHE A 110 13.177 -2.787 -25.453 1.00 0.00 H new ATOM 0 HE2 PHE A 110 14.841 -5.016 -28.725 1.00 0.00 H new ATOM 0 HZ PHE A 110 13.393 -4.910 -26.714 1.00 0.00 H new ATOM 536 N ILE A 111 15.704 0.239 -31.518 1.00 0.00 N ATOM 537 CA ILE A 111 15.604 -0.258 -32.886 1.00 0.00 C ATOM 538 C ILE A 111 16.898 -0.943 -33.296 1.00 0.00 C ATOM 539 O ILE A 111 17.972 -0.337 -33.266 1.00 0.00 O ATOM 540 CB ILE A 111 15.314 0.896 -33.845 1.00 0.00 C ATOM 541 CG1 ILE A 111 14.319 1.858 -33.195 1.00 0.00 C ATOM 542 CG2 ILE A 111 14.708 0.341 -35.134 1.00 0.00 C ATOM 543 CD1 ILE A 111 15.076 3.028 -32.566 1.00 0.00 C ATOM 0 H ILE A 111 16.405 0.967 -31.381 1.00 0.00 H new ATOM 0 HA ILE A 111 14.788 -0.979 -32.931 1.00 0.00 H new ATOM 0 HB ILE A 111 16.240 1.424 -34.071 1.00 0.00 H new ATOM 0 HG12 ILE A 111 13.613 2.226 -33.940 1.00 0.00 H new ATOM 0 HG13 ILE A 111 13.737 1.337 -32.435 1.00 0.00 H new ATOM 0 HG21 ILE A 111 14.500 1.161 -35.821 1.00 0.00 H new ATOM 0 HG22 ILE A 111 15.411 -0.351 -35.598 1.00 0.00 H new ATOM 0 HG23 ILE A 111 13.781 -0.184 -34.904 1.00 0.00 H new ATOM 0 HD11 ILE A 111 14.366 3.714 -32.103 1.00 0.00 H new ATOM 0 HD12 ILE A 111 15.764 2.651 -31.809 1.00 0.00 H new ATOM 0 HD13 ILE A 111 15.638 3.554 -33.337 1.00 0.00 H new ATOM 555 N SER A 112 16.793 -2.214 -33.665 1.00 0.00 N ATOM 556 CA SER A 112 17.965 -2.974 -34.052 1.00 0.00 C ATOM 557 C SER A 112 18.629 -2.348 -35.277 1.00 0.00 C ATOM 558 O SER A 112 18.017 -1.538 -35.977 1.00 0.00 O ATOM 559 CB SER A 112 17.578 -4.423 -34.362 1.00 0.00 C ATOM 560 OG SER A 112 17.323 -4.552 -35.756 1.00 0.00 O ATOM 0 H SER A 112 15.915 -2.732 -33.703 1.00 0.00 H new ATOM 0 HA SER A 112 18.671 -2.960 -33.221 1.00 0.00 H new ATOM 0 HB2 SER A 112 18.380 -5.098 -34.063 1.00 0.00 H new ATOM 0 HB3 SER A 112 16.694 -4.706 -33.791 1.00 0.00 H new ATOM 0 HG SER A 112 17.076 -5.478 -35.959 1.00 0.00 H new ATOM 566 N PRO A 113 19.863 -2.705 -35.550 1.00 0.00 N ATOM 567 CA PRO A 113 20.620 -2.161 -36.718 1.00 0.00 C ATOM 568 C PRO A 113 19.909 -2.427 -38.044 1.00 0.00 C ATOM 569 O PRO A 113 20.075 -1.682 -39.010 1.00 0.00 O ATOM 570 CB PRO A 113 21.957 -2.909 -36.667 1.00 0.00 C ATOM 571 CG PRO A 113 22.084 -3.403 -35.270 1.00 0.00 C ATOM 572 CD PRO A 113 20.679 -3.671 -34.790 1.00 0.00 C ATOM 0 HA PRO A 113 20.725 -1.078 -36.662 1.00 0.00 H new ATOM 0 HB2 PRO A 113 21.972 -3.735 -37.378 1.00 0.00 H new ATOM 0 HB3 PRO A 113 22.785 -2.250 -36.927 1.00 0.00 H new ATOM 0 HG2 PRO A 113 22.688 -4.309 -35.231 1.00 0.00 H new ATOM 0 HG3 PRO A 113 22.577 -2.664 -34.639 1.00 0.00 H new ATOM 0 HD2 PRO A 113 20.376 -4.698 -34.992 1.00 0.00 H new ATOM 0 HD3 PRO A 113 20.586 -3.516 -33.715 1.00 0.00 H new ATOM 580 N GLN A 114 19.128 -3.502 -38.088 1.00 0.00 N ATOM 581 CA GLN A 114 18.414 -3.862 -39.307 1.00 0.00 C ATOM 582 C GLN A 114 17.265 -2.895 -39.561 1.00 0.00 C ATOM 583 O GLN A 114 16.634 -2.930 -40.619 1.00 0.00 O ATOM 584 CB GLN A 114 17.870 -5.289 -39.195 1.00 0.00 C ATOM 585 CG GLN A 114 19.030 -6.264 -38.975 1.00 0.00 C ATOM 586 CD GLN A 114 18.751 -7.574 -39.704 1.00 0.00 C ATOM 587 OE1 GLN A 114 18.512 -7.571 -40.910 1.00 0.00 O ATOM 588 NE2 GLN A 114 18.774 -8.697 -39.044 1.00 0.00 N ATOM 0 H GLN A 114 18.975 -4.133 -37.302 1.00 0.00 H new ATOM 0 HA GLN A 114 19.112 -3.806 -40.143 1.00 0.00 H new ATOM 0 HB2 GLN A 114 17.163 -5.356 -38.368 1.00 0.00 H new ATOM 0 HB3 GLN A 114 17.326 -5.554 -40.101 1.00 0.00 H new ATOM 0 HG2 GLN A 114 19.959 -5.826 -39.339 1.00 0.00 H new ATOM 0 HG3 GLN A 114 19.162 -6.451 -37.909 1.00 0.00 H new ATOM 0 HE21 GLN A 114 18.973 -8.697 -38.044 1.00 0.00 H new ATOM 0 HE22 GLN A 114 18.593 -9.577 -39.528 1.00 0.00 H new ATOM 597 N GLY A 115 16.999 -2.028 -38.591 1.00 0.00 N ATOM 598 CA GLY A 115 15.926 -1.052 -38.725 1.00 0.00 C ATOM 599 C GLY A 115 14.621 -1.586 -38.147 1.00 0.00 C ATOM 600 O GLY A 115 13.574 -0.948 -38.265 1.00 0.00 O ATOM 0 H GLY A 115 17.508 -1.981 -37.709 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.203 -0.130 -38.214 1.00 0.00 H new ATOM 0 HA3 GLY A 115 15.786 -0.803 -39.777 1.00 0.00 H new ATOM 604 N LEU A 116 14.690 -2.753 -37.523 1.00 0.00 N ATOM 605 CA LEU A 116 13.508 -3.360 -36.929 1.00 0.00 C ATOM 606 C LEU A 116 13.210 -2.739 -35.573 1.00 0.00 C ATOM 607 O LEU A 116 14.120 -2.445 -34.800 1.00 0.00 O ATOM 608 CB LEU A 116 13.721 -4.869 -36.771 1.00 0.00 C ATOM 609 CG LEU A 116 13.331 -5.588 -38.067 1.00 0.00 C ATOM 610 CD1 LEU A 116 11.813 -5.508 -38.278 1.00 0.00 C ATOM 611 CD2 LEU A 116 14.045 -4.925 -39.251 1.00 0.00 C ATOM 0 H LEU A 116 15.547 -3.296 -37.415 1.00 0.00 H new ATOM 0 HA LEU A 116 12.659 -3.181 -37.589 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.764 -5.075 -36.530 1.00 0.00 H new ATOM 0 HB3 LEU A 116 13.122 -5.245 -35.942 1.00 0.00 H new ATOM 0 HG LEU A 116 13.626 -6.635 -37.997 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.546 -6.022 -39.202 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.304 -5.982 -37.439 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.509 -4.463 -38.344 1.00 0.00 H new ATOM 0 HD21 LEU A 116 13.769 -5.435 -40.174 1.00 0.00 H new ATOM 0 HD22 LEU A 116 13.751 -3.877 -39.313 1.00 0.00 H new ATOM 0 HD23 LEU A 116 15.124 -4.991 -39.109 1.00 0.00 H new ATOM 623 N LYS A 117 11.928 -2.535 -35.295 1.00 0.00 N ATOM 624 CA LYS A 117 11.512 -1.940 -34.031 1.00 0.00 C ATOM 625 C LYS A 117 11.099 -3.015 -33.033 1.00 0.00 C ATOM 626 O LYS A 117 10.408 -3.972 -33.384 1.00 0.00 O ATOM 627 CB LYS A 117 10.348 -0.983 -34.267 1.00 0.00 C ATOM 628 CG LYS A 117 9.873 -0.415 -32.925 1.00 0.00 C ATOM 629 CD LYS A 117 9.159 0.922 -33.146 1.00 0.00 C ATOM 630 CE LYS A 117 7.885 0.698 -33.963 1.00 0.00 C ATOM 631 NZ LYS A 117 6.998 -0.258 -33.244 1.00 0.00 N ATOM 0 H LYS A 117 11.161 -2.772 -35.925 1.00 0.00 H new ATOM 0 HA LYS A 117 12.358 -1.391 -33.617 1.00 0.00 H new ATOM 0 HB2 LYS A 117 10.657 -0.173 -34.928 1.00 0.00 H new ATOM 0 HB3 LYS A 117 9.530 -1.504 -34.763 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.199 -1.121 -32.440 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.724 -0.277 -32.258 1.00 0.00 H new ATOM 0 HD2 LYS A 117 8.912 1.376 -32.186 1.00 0.00 H new ATOM 0 HD3 LYS A 117 9.819 1.616 -33.667 1.00 0.00 H new ATOM 0 HE2 LYS A 117 7.368 1.645 -34.118 1.00 0.00 H new ATOM 0 HE3 LYS A 117 8.136 0.307 -34.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.014 -0.113 -33.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 7.288 -1.232 -33.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 7.072 -0.097 -32.219 1.00 0.00 H new ATOM 645 N PHE A 118 11.525 -2.845 -31.785 1.00 0.00 N ATOM 646 CA PHE A 118 11.189 -3.799 -30.736 1.00 0.00 C ATOM 647 C PHE A 118 10.874 -3.079 -29.428 1.00 0.00 C ATOM 648 O PHE A 118 11.506 -2.077 -29.091 1.00 0.00 O ATOM 649 CB PHE A 118 12.344 -4.774 -30.527 1.00 0.00 C ATOM 650 CG PHE A 118 12.564 -5.575 -31.789 1.00 0.00 C ATOM 651 CD1 PHE A 118 11.584 -6.473 -32.221 1.00 0.00 C ATOM 652 CD2 PHE A 118 13.744 -5.420 -32.526 1.00 0.00 C ATOM 653 CE1 PHE A 118 11.780 -7.220 -33.389 1.00 0.00 C ATOM 654 CE2 PHE A 118 13.942 -6.167 -33.693 1.00 0.00 C ATOM 655 CZ PHE A 118 12.958 -7.066 -34.124 1.00 0.00 C ATOM 0 H PHE A 118 12.100 -2.060 -31.478 1.00 0.00 H new ATOM 0 HA PHE A 118 10.303 -4.352 -31.047 1.00 0.00 H new ATOM 0 HB2 PHE A 118 13.251 -4.229 -30.267 1.00 0.00 H new ATOM 0 HB3 PHE A 118 12.124 -5.442 -29.694 1.00 0.00 H new ATOM 0 HD1 PHE A 118 10.673 -6.591 -31.653 1.00 0.00 H new ATOM 0 HD2 PHE A 118 14.501 -4.725 -32.194 1.00 0.00 H new ATOM 0 HE1 PHE A 118 11.022 -7.914 -33.721 1.00 0.00 H new ATOM 0 HE2 PHE A 118 14.853 -6.050 -34.261 1.00 0.00 H new ATOM 0 HZ PHE A 118 13.110 -7.641 -35.026 1.00 0.00 H new ATOM 665 N ARG A 119 9.895 -3.597 -28.692 1.00 0.00 N ATOM 666 CA ARG A 119 9.506 -2.997 -27.423 1.00 0.00 C ATOM 667 C ARG A 119 8.915 -4.049 -26.489 1.00 0.00 C ATOM 668 O ARG A 119 8.254 -3.720 -25.504 1.00 0.00 O ATOM 669 CB ARG A 119 8.484 -1.885 -27.663 1.00 0.00 C ATOM 670 CG ARG A 119 7.824 -2.083 -29.031 1.00 0.00 C ATOM 671 CD ARG A 119 6.531 -1.279 -29.092 1.00 0.00 C ATOM 672 NE ARG A 119 5.383 -2.156 -28.865 1.00 0.00 N ATOM 673 CZ ARG A 119 4.316 -1.742 -28.187 1.00 0.00 C ATOM 674 NH1 ARG A 119 4.264 -0.528 -27.718 1.00 0.00 N ATOM 675 NH2 ARG A 119 3.311 -2.552 -28.006 1.00 0.00 N ATOM 0 H ARG A 119 9.360 -4.426 -28.952 1.00 0.00 H new ATOM 0 HA ARG A 119 10.395 -2.575 -26.954 1.00 0.00 H new ATOM 0 HB2 ARG A 119 7.728 -1.896 -26.878 1.00 0.00 H new ATOM 0 HB3 ARG A 119 8.973 -0.912 -27.621 1.00 0.00 H new ATOM 0 HG2 ARG A 119 8.501 -1.764 -29.823 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.616 -3.140 -29.197 1.00 0.00 H new ATOM 0 HD2 ARG A 119 6.549 -0.489 -28.341 1.00 0.00 H new ATOM 0 HD3 ARG A 119 6.441 -0.793 -30.064 1.00 0.00 H new ATOM 0 HE ARG A 119 5.401 -3.106 -29.235 1.00 0.00 H new ATOM 0 HH11 ARG A 119 5.044 0.111 -27.870 1.00 0.00 H new ATOM 0 HH12 ARG A 119 3.443 -0.217 -27.199 1.00 0.00 H new ATOM 0 HH21 ARG A 119 3.345 -3.499 -28.384 1.00 0.00 H new ATOM 0 HH22 ARG A 119 2.491 -2.239 -27.487 1.00 0.00 H new ATOM 689 N SER A 120 9.161 -5.319 -26.800 1.00 0.00 N ATOM 690 CA SER A 120 8.647 -6.402 -25.971 1.00 0.00 C ATOM 691 C SER A 120 9.703 -7.487 -25.804 1.00 0.00 C ATOM 692 O SER A 120 10.539 -7.694 -26.684 1.00 0.00 O ATOM 693 CB SER A 120 7.396 -7.003 -26.615 1.00 0.00 C ATOM 694 OG SER A 120 7.764 -7.700 -27.796 1.00 0.00 O ATOM 0 H SER A 120 9.705 -5.620 -27.609 1.00 0.00 H new ATOM 0 HA SER A 120 8.393 -5.999 -24.991 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.904 -7.681 -25.917 1.00 0.00 H new ATOM 0 HB3 SER A 120 6.681 -6.215 -26.852 1.00 0.00 H new ATOM 0 HG SER A 120 7.428 -7.217 -28.579 1.00 0.00 H new ATOM 700 N LYS A 121 9.664 -8.175 -24.669 1.00 0.00 N ATOM 701 CA LYS A 121 10.624 -9.236 -24.402 1.00 0.00 C ATOM 702 C LYS A 121 10.435 -10.398 -25.369 1.00 0.00 C ATOM 703 O LYS A 121 11.408 -10.978 -25.854 1.00 0.00 O ATOM 704 CB LYS A 121 10.455 -9.741 -22.970 1.00 0.00 C ATOM 705 CG LYS A 121 10.920 -8.661 -21.987 1.00 0.00 C ATOM 706 CD LYS A 121 10.679 -9.123 -20.545 1.00 0.00 C ATOM 707 CE LYS A 121 11.826 -10.029 -20.088 1.00 0.00 C ATOM 708 NZ LYS A 121 13.097 -9.253 -20.110 1.00 0.00 N ATOM 0 H LYS A 121 8.984 -8.018 -23.925 1.00 0.00 H new ATOM 0 HA LYS A 121 11.626 -8.828 -24.535 1.00 0.00 H new ATOM 0 HB2 LYS A 121 9.411 -9.992 -22.783 1.00 0.00 H new ATOM 0 HB3 LYS A 121 11.034 -10.653 -22.824 1.00 0.00 H new ATOM 0 HG2 LYS A 121 11.979 -8.452 -22.138 1.00 0.00 H new ATOM 0 HG3 LYS A 121 10.382 -7.732 -22.174 1.00 0.00 H new ATOM 0 HD2 LYS A 121 10.602 -8.259 -19.885 1.00 0.00 H new ATOM 0 HD3 LYS A 121 9.732 -9.659 -20.479 1.00 0.00 H new ATOM 0 HE2 LYS A 121 11.632 -10.404 -19.083 1.00 0.00 H new ATOM 0 HE3 LYS A 121 11.904 -10.897 -20.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 13.733 -9.607 -19.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 13.554 -9.361 -21.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 12.893 -8.247 -19.940 1.00 0.00 H new ATOM 722 N SER A 122 9.178 -10.746 -25.637 1.00 0.00 N ATOM 723 CA SER A 122 8.887 -11.853 -26.539 1.00 0.00 C ATOM 724 C SER A 122 9.390 -11.551 -27.944 1.00 0.00 C ATOM 725 O SER A 122 10.127 -12.344 -28.530 1.00 0.00 O ATOM 726 CB SER A 122 7.379 -12.093 -26.584 1.00 0.00 C ATOM 727 OG SER A 122 7.096 -13.159 -27.479 1.00 0.00 O ATOM 0 H SER A 122 8.356 -10.284 -25.248 1.00 0.00 H new ATOM 0 HA SER A 122 9.395 -12.743 -26.168 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.008 -12.332 -25.587 1.00 0.00 H new ATOM 0 HB3 SER A 122 6.865 -11.187 -26.906 1.00 0.00 H new ATOM 0 HG SER A 122 6.129 -13.314 -27.507 1.00 0.00 H new ATOM 733 N SER A 123 8.983 -10.408 -28.486 1.00 0.00 N ATOM 734 CA SER A 123 9.386 -10.037 -29.833 1.00 0.00 C ATOM 735 C SER A 123 10.898 -10.121 -29.962 1.00 0.00 C ATOM 736 O SER A 123 11.415 -10.637 -30.949 1.00 0.00 O ATOM 737 CB SER A 123 8.940 -8.604 -30.127 1.00 0.00 C ATOM 738 OG SER A 123 7.525 -8.514 -30.005 1.00 0.00 O ATOM 0 H SER A 123 8.381 -9.731 -28.018 1.00 0.00 H new ATOM 0 HA SER A 123 8.921 -10.721 -30.542 1.00 0.00 H new ATOM 0 HB2 SER A 123 9.420 -7.913 -29.434 1.00 0.00 H new ATOM 0 HB3 SER A 123 9.248 -8.314 -31.132 1.00 0.00 H new ATOM 0 HG SER A 123 7.259 -8.762 -29.095 1.00 0.00 H new ATOM 744 N LEU A 124 11.604 -9.625 -28.955 1.00 0.00 N ATOM 745 CA LEU A 124 13.060 -9.666 -28.976 1.00 0.00 C ATOM 746 C LEU A 124 13.553 -11.111 -28.994 1.00 0.00 C ATOM 747 O LEU A 124 14.426 -11.471 -29.778 1.00 0.00 O ATOM 748 CB LEU A 124 13.620 -8.946 -27.744 1.00 0.00 C ATOM 749 CG LEU A 124 15.155 -8.980 -27.768 1.00 0.00 C ATOM 750 CD1 LEU A 124 15.664 -8.259 -29.018 1.00 0.00 C ATOM 751 CD2 LEU A 124 15.698 -8.281 -26.523 1.00 0.00 C ATOM 0 H LEU A 124 11.199 -9.195 -28.123 1.00 0.00 H new ATOM 0 HA LEU A 124 13.408 -9.164 -29.879 1.00 0.00 H new ATOM 0 HB2 LEU A 124 13.271 -7.913 -27.726 1.00 0.00 H new ATOM 0 HB3 LEU A 124 13.252 -9.422 -26.835 1.00 0.00 H new ATOM 0 HG LEU A 124 15.494 -10.016 -27.783 1.00 0.00 H new ATOM 0 HD11 LEU A 124 16.754 -8.284 -29.034 1.00 0.00 H new ATOM 0 HD12 LEU A 124 15.277 -8.756 -29.908 1.00 0.00 H new ATOM 0 HD13 LEU A 124 15.325 -7.223 -29.004 1.00 0.00 H new ATOM 0 HD21 LEU A 124 16.788 -8.304 -26.539 1.00 0.00 H new ATOM 0 HD22 LEU A 124 15.357 -7.246 -26.509 1.00 0.00 H new ATOM 0 HD23 LEU A 124 15.337 -8.794 -25.631 1.00 0.00 H new ATOM 763 N ALA A 125 12.987 -11.935 -28.125 1.00 0.00 N ATOM 764 CA ALA A 125 13.379 -13.336 -28.045 1.00 0.00 C ATOM 765 C ALA A 125 13.124 -14.032 -29.378 1.00 0.00 C ATOM 766 O ALA A 125 13.847 -14.953 -29.756 1.00 0.00 O ATOM 767 CB ALA A 125 12.600 -14.037 -26.933 1.00 0.00 C ATOM 0 H ALA A 125 12.257 -11.660 -27.467 1.00 0.00 H new ATOM 0 HA ALA A 125 14.444 -13.388 -27.819 1.00 0.00 H new ATOM 0 HB1 ALA A 125 12.901 -15.083 -26.882 1.00 0.00 H new ATOM 0 HB2 ALA A 125 12.811 -13.552 -25.980 1.00 0.00 H new ATOM 0 HB3 ALA A 125 11.532 -13.976 -27.143 1.00 0.00 H new ATOM 773 N ASN A 126 12.087 -13.588 -30.078 1.00 0.00 N ATOM 774 CA ASN A 126 11.741 -14.174 -31.371 1.00 0.00 C ATOM 775 C ASN A 126 12.654 -13.633 -32.468 1.00 0.00 C ATOM 776 O ASN A 126 13.172 -14.387 -33.288 1.00 0.00 O ATOM 777 CB ASN A 126 10.282 -13.865 -31.708 1.00 0.00 C ATOM 778 CG ASN A 126 9.362 -14.522 -30.684 1.00 0.00 C ATOM 779 OD1 ASN A 126 9.620 -15.644 -30.244 1.00 0.00 O ATOM 780 ND2 ASN A 126 8.299 -13.887 -30.273 1.00 0.00 N ATOM 0 H ASN A 126 11.474 -12.830 -29.777 1.00 0.00 H new ATOM 0 HA ASN A 126 11.876 -15.254 -31.310 1.00 0.00 H new ATOM 0 HB2 ASN A 126 10.122 -12.787 -31.715 1.00 0.00 H new ATOM 0 HB3 ASN A 126 10.046 -14.229 -32.708 1.00 0.00 H new ATOM 0 HD21 ASN A 126 7.680 -14.319 -29.587 1.00 0.00 H new ATOM 0 HD22 ASN A 126 8.087 -12.958 -30.638 1.00 0.00 H new ATOM 787 N TYR A 127 12.850 -12.320 -32.467 1.00 0.00 N ATOM 788 CA TYR A 127 13.705 -11.684 -33.459 1.00 0.00 C ATOM 789 C TYR A 127 15.090 -12.314 -33.434 1.00 0.00 C ATOM 790 O TYR A 127 15.657 -12.628 -34.480 1.00 0.00 O ATOM 791 CB TYR A 127 13.810 -10.182 -33.178 1.00 0.00 C ATOM 792 CG TYR A 127 15.018 -9.620 -33.889 1.00 0.00 C ATOM 793 CD1 TYR A 127 14.992 -9.415 -35.272 1.00 0.00 C ATOM 794 CD2 TYR A 127 16.168 -9.305 -33.156 1.00 0.00 C ATOM 795 CE1 TYR A 127 16.117 -8.895 -35.923 1.00 0.00 C ATOM 796 CE2 TYR A 127 17.293 -8.785 -33.806 1.00 0.00 C ATOM 797 CZ TYR A 127 17.268 -8.579 -35.191 1.00 0.00 C ATOM 798 OH TYR A 127 18.377 -8.068 -35.833 1.00 0.00 O ATOM 0 H TYR A 127 12.431 -11.679 -31.794 1.00 0.00 H new ATOM 0 HA TYR A 127 13.267 -11.829 -34.446 1.00 0.00 H new ATOM 0 HB2 TYR A 127 12.907 -9.674 -33.516 1.00 0.00 H new ATOM 0 HB3 TYR A 127 13.892 -10.007 -32.105 1.00 0.00 H new ATOM 0 HD1 TYR A 127 14.105 -9.658 -35.838 1.00 0.00 H new ATOM 0 HD2 TYR A 127 16.187 -9.463 -32.088 1.00 0.00 H new ATOM 0 HE1 TYR A 127 16.097 -8.737 -36.991 1.00 0.00 H new ATOM 0 HE2 TYR A 127 18.180 -8.543 -33.240 1.00 0.00 H new ATOM 0 HH TYR A 127 19.087 -7.903 -35.178 1.00 0.00 H new ATOM 808 N LEU A 128 15.632 -12.490 -32.235 1.00 0.00 N ATOM 809 CA LEU A 128 16.955 -13.084 -32.093 1.00 0.00 C ATOM 810 C LEU A 128 16.964 -14.517 -32.616 1.00 0.00 C ATOM 811 O LEU A 128 17.892 -14.933 -33.308 1.00 0.00 O ATOM 812 CB LEU A 128 17.360 -13.081 -30.618 1.00 0.00 C ATOM 813 CG LEU A 128 17.539 -11.640 -30.134 1.00 0.00 C ATOM 814 CD1 LEU A 128 17.814 -11.632 -28.631 1.00 0.00 C ATOM 815 CD2 LEU A 128 18.702 -10.984 -30.870 1.00 0.00 C ATOM 0 H LEU A 128 15.182 -12.233 -31.356 1.00 0.00 H new ATOM 0 HA LEU A 128 17.663 -12.495 -32.676 1.00 0.00 H new ATOM 0 HB2 LEU A 128 16.599 -13.583 -30.021 1.00 0.00 H new ATOM 0 HB3 LEU A 128 18.288 -13.637 -30.485 1.00 0.00 H new ATOM 0 HG LEU A 128 16.626 -11.081 -30.338 1.00 0.00 H new ATOM 0 HD11 LEU A 128 17.941 -10.605 -28.290 1.00 0.00 H new ATOM 0 HD12 LEU A 128 16.975 -12.088 -28.105 1.00 0.00 H new ATOM 0 HD13 LEU A 128 18.722 -12.198 -28.424 1.00 0.00 H new ATOM 0 HD21 LEU A 128 18.822 -9.959 -30.520 1.00 0.00 H new ATOM 0 HD22 LEU A 128 19.617 -11.544 -30.676 1.00 0.00 H new ATOM 0 HD23 LEU A 128 18.499 -10.980 -31.941 1.00 0.00 H new ATOM 827 N HIS A 129 15.915 -15.260 -32.289 1.00 0.00 N ATOM 828 CA HIS A 129 15.793 -16.646 -32.732 1.00 0.00 C ATOM 829 C HIS A 129 15.723 -16.724 -34.254 1.00 0.00 C ATOM 830 O HIS A 129 16.248 -17.654 -34.867 1.00 0.00 O ATOM 831 CB HIS A 129 14.546 -17.291 -32.130 1.00 0.00 C ATOM 832 CG HIS A 129 14.436 -18.713 -32.616 1.00 0.00 C ATOM 833 ND1 HIS A 129 15.310 -19.707 -32.201 1.00 0.00 N ATOM 834 CD2 HIS A 129 13.558 -19.322 -33.478 1.00 0.00 C ATOM 835 CE1 HIS A 129 14.941 -20.850 -32.809 1.00 0.00 C ATOM 836 NE2 HIS A 129 13.878 -20.671 -33.598 1.00 0.00 N ATOM 0 H HIS A 129 15.136 -14.929 -31.719 1.00 0.00 H new ATOM 0 HA HIS A 129 16.677 -17.186 -32.391 1.00 0.00 H new ATOM 0 HB2 HIS A 129 14.601 -17.270 -31.042 1.00 0.00 H new ATOM 0 HB3 HIS A 129 13.658 -16.728 -32.415 1.00 0.00 H new ATOM 0 HD2 HIS A 129 12.742 -18.829 -33.986 1.00 0.00 H new ATOM 0 HE1 HIS A 129 15.443 -21.797 -32.675 1.00 0.00 H new ATOM 0 HE2 HIS A 129 13.403 -21.372 -34.166 1.00 0.00 H new ATOM 845 N LYS A 130 15.073 -15.737 -34.855 1.00 0.00 N ATOM 846 CA LYS A 130 14.936 -15.693 -36.306 1.00 0.00 C ATOM 847 C LYS A 130 16.279 -15.417 -36.983 1.00 0.00 C ATOM 848 O LYS A 130 16.583 -15.983 -38.033 1.00 0.00 O ATOM 849 CB LYS A 130 13.936 -14.613 -36.704 1.00 0.00 C ATOM 850 CG LYS A 130 12.523 -15.065 -36.324 1.00 0.00 C ATOM 851 CD LYS A 130 11.539 -13.903 -36.489 1.00 0.00 C ATOM 852 CE LYS A 130 11.364 -13.575 -37.976 1.00 0.00 C ATOM 853 NZ LYS A 130 10.225 -12.636 -38.147 1.00 0.00 N ATOM 0 H LYS A 130 14.634 -14.959 -34.364 1.00 0.00 H new ATOM 0 HA LYS A 130 14.577 -16.668 -36.637 1.00 0.00 H new ATOM 0 HB2 LYS A 130 14.177 -13.676 -36.203 1.00 0.00 H new ATOM 0 HB3 LYS A 130 13.994 -14.425 -37.776 1.00 0.00 H new ATOM 0 HG2 LYS A 130 12.219 -15.902 -36.952 1.00 0.00 H new ATOM 0 HG3 LYS A 130 12.511 -15.419 -35.293 1.00 0.00 H new ATOM 0 HD2 LYS A 130 10.576 -14.165 -36.050 1.00 0.00 H new ATOM 0 HD3 LYS A 130 11.905 -13.026 -35.955 1.00 0.00 H new ATOM 0 HE2 LYS A 130 12.278 -13.131 -38.371 1.00 0.00 H new ATOM 0 HE3 LYS A 130 11.183 -14.489 -38.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 10.107 -12.414 -39.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.355 -13.076 -37.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 10.415 -11.760 -37.620 1.00 0.00 H new ATOM 867 N ASN A 131 17.070 -14.536 -36.382 1.00 0.00 N ATOM 868 CA ASN A 131 18.368 -14.185 -36.945 1.00 0.00 C ATOM 869 C ASN A 131 19.370 -15.315 -36.732 1.00 0.00 C ATOM 870 O ASN A 131 20.432 -15.343 -37.354 1.00 0.00 O ATOM 871 CB ASN A 131 18.893 -12.909 -36.284 1.00 0.00 C ATOM 872 CG ASN A 131 17.988 -11.731 -36.633 1.00 0.00 C ATOM 873 OD1 ASN A 131 18.021 -11.228 -37.836 1.00 0.00 O flip ATOM 874 ND2 ASN A 131 17.237 -11.254 -35.785 1.00 0.00 N flip ATOM 0 H ASN A 131 16.838 -14.055 -35.513 1.00 0.00 H new ATOM 0 HA ASN A 131 18.245 -14.020 -38.015 1.00 0.00 H new ATOM 0 HB2 ASN A 131 18.933 -13.040 -35.203 1.00 0.00 H new ATOM 0 HB3 ASN A 131 19.911 -12.708 -36.619 1.00 0.00 H new ATOM 0 HD21 ASN A 131 17.213 -11.649 -34.845 1.00 0.00 H new ATOM 0 HD22 ASN A 131 16.638 -10.463 -36.021 1.00 0.00 H new ATOM 881 N GLY A 132 19.018 -16.248 -35.857 1.00 0.00 N ATOM 882 CA GLY A 132 19.888 -17.384 -35.573 1.00 0.00 C ATOM 883 C GLY A 132 20.859 -17.058 -34.446 1.00 0.00 C ATOM 884 O GLY A 132 21.530 -17.944 -33.915 1.00 0.00 O ATOM 0 H GLY A 132 18.142 -16.242 -35.334 1.00 0.00 H new ATOM 0 HA2 GLY A 132 19.285 -18.249 -35.299 1.00 0.00 H new ATOM 0 HA3 GLY A 132 20.444 -17.654 -36.471 1.00 0.00 H new ATOM 888 N GLU A 133 20.926 -15.782 -34.077 1.00 0.00 N ATOM 889 CA GLU A 133 21.817 -15.351 -33.006 1.00 0.00 C ATOM 890 C GLU A 133 21.029 -15.116 -31.724 1.00 0.00 C ATOM 891 O GLU A 133 20.240 -14.176 -31.640 1.00 0.00 O ATOM 892 CB GLU A 133 22.536 -14.062 -33.410 1.00 0.00 C ATOM 893 CG GLU A 133 23.526 -14.363 -34.538 1.00 0.00 C ATOM 894 CD GLU A 133 24.178 -13.072 -35.017 1.00 0.00 C ATOM 895 OE1 GLU A 133 23.775 -12.020 -34.550 1.00 0.00 O ATOM 896 OE2 GLU A 133 25.066 -13.153 -35.850 1.00 0.00 O ATOM 0 H GLU A 133 20.378 -15.033 -34.501 1.00 0.00 H new ATOM 0 HA GLU A 133 22.554 -16.135 -32.831 1.00 0.00 H new ATOM 0 HB2 GLU A 133 21.812 -13.316 -33.737 1.00 0.00 H new ATOM 0 HB3 GLU A 133 23.062 -13.642 -32.553 1.00 0.00 H new ATOM 0 HG2 GLU A 133 24.290 -15.057 -34.187 1.00 0.00 H new ATOM 0 HG3 GLU A 133 23.010 -14.849 -35.366 1.00 0.00 H new ATOM 903 N THR A 134 21.249 -15.974 -30.732 1.00 0.00 N ATOM 904 CA THR A 134 20.553 -15.857 -29.454 1.00 0.00 C ATOM 905 C THR A 134 21.528 -15.485 -28.343 1.00 0.00 C ATOM 906 O THR A 134 21.181 -15.520 -27.162 1.00 0.00 O ATOM 907 CB THR A 134 19.860 -17.177 -29.114 1.00 0.00 C ATOM 908 OG1 THR A 134 20.830 -18.208 -29.015 1.00 0.00 O ATOM 909 CG2 THR A 134 18.854 -17.525 -30.213 1.00 0.00 C ATOM 0 H THR A 134 21.902 -16.756 -30.788 1.00 0.00 H new ATOM 0 HA THR A 134 19.805 -15.069 -29.540 1.00 0.00 H new ATOM 0 HB THR A 134 19.337 -17.078 -28.163 1.00 0.00 H new ATOM 0 HG1 THR A 134 20.387 -19.054 -28.795 1.00 0.00 H new ATOM 0 HG21 THR A 134 18.361 -18.466 -29.970 1.00 0.00 H new ATOM 0 HG22 THR A 134 18.109 -16.733 -30.288 1.00 0.00 H new ATOM 0 HG23 THR A 134 19.375 -17.624 -31.165 1.00 0.00 H new ATOM 917 N SER A 135 22.752 -15.135 -28.728 1.00 0.00 N ATOM 918 CA SER A 135 23.768 -14.762 -27.751 1.00 0.00 C ATOM 919 C SER A 135 23.347 -13.510 -26.986 1.00 0.00 C ATOM 920 O SER A 135 23.724 -13.323 -25.829 1.00 0.00 O ATOM 921 CB SER A 135 25.099 -14.506 -28.457 1.00 0.00 C ATOM 922 OG SER A 135 24.966 -13.385 -29.320 1.00 0.00 O ATOM 0 H SER A 135 23.062 -15.102 -29.699 1.00 0.00 H new ATOM 0 HA SER A 135 23.882 -15.583 -27.043 1.00 0.00 H new ATOM 0 HB2 SER A 135 25.884 -14.323 -27.723 1.00 0.00 H new ATOM 0 HB3 SER A 135 25.396 -15.386 -29.028 1.00 0.00 H new ATOM 0 HG SER A 135 25.819 -13.218 -29.773 1.00 0.00 H new ATOM 928 N LEU A 136 22.563 -12.659 -27.641 1.00 0.00 N ATOM 929 CA LEU A 136 22.096 -11.428 -27.010 1.00 0.00 C ATOM 930 C LEU A 136 21.111 -11.743 -25.903 1.00 0.00 C ATOM 931 O LEU A 136 20.244 -12.608 -26.059 1.00 0.00 O ATOM 932 CB LEU A 136 21.431 -10.526 -28.052 1.00 0.00 C ATOM 933 CG LEU A 136 22.256 -9.250 -28.224 1.00 0.00 C ATOM 934 CD1 LEU A 136 23.665 -9.606 -28.700 1.00 0.00 C ATOM 935 CD2 LEU A 136 21.583 -8.346 -29.256 1.00 0.00 C ATOM 0 H LEU A 136 22.240 -12.796 -28.599 1.00 0.00 H new ATOM 0 HA LEU A 136 22.954 -10.910 -26.581 1.00 0.00 H new ATOM 0 HB2 LEU A 136 21.350 -11.051 -29.004 1.00 0.00 H new ATOM 0 HB3 LEU A 136 20.417 -10.277 -27.739 1.00 0.00 H new ATOM 0 HG LEU A 136 22.320 -8.730 -27.268 1.00 0.00 H new ATOM 0 HD11 LEU A 136 24.249 -8.694 -28.821 1.00 0.00 H new ATOM 0 HD12 LEU A 136 24.146 -10.250 -27.964 1.00 0.00 H new ATOM 0 HD13 LEU A 136 23.605 -10.128 -29.655 1.00 0.00 H new ATOM 0 HD21 LEU A 136 22.170 -7.436 -29.380 1.00 0.00 H new ATOM 0 HD22 LEU A 136 21.518 -8.869 -30.210 1.00 0.00 H new ATOM 0 HD23 LEU A 136 20.580 -8.088 -28.915 1.00 0.00 H new ATOM 947 N LYS A 137 21.250 -11.037 -24.779 1.00 0.00 N ATOM 948 CA LYS A 137 20.368 -11.263 -23.658 1.00 0.00 C ATOM 949 C LYS A 137 19.361 -10.112 -23.505 1.00 0.00 C ATOM 950 O LYS A 137 19.725 -8.943 -23.652 1.00 0.00 O ATOM 951 CB LYS A 137 21.165 -11.388 -22.366 1.00 0.00 C ATOM 952 CG LYS A 137 22.140 -12.557 -22.496 1.00 0.00 C ATOM 953 CD LYS A 137 22.975 -12.681 -21.220 1.00 0.00 C ATOM 954 CE LYS A 137 22.196 -13.467 -20.156 1.00 0.00 C ATOM 955 NZ LYS A 137 23.062 -13.678 -18.965 1.00 0.00 N ATOM 0 H LYS A 137 21.957 -10.317 -24.632 1.00 0.00 H new ATOM 0 HA LYS A 137 19.829 -12.190 -23.851 1.00 0.00 H new ATOM 0 HB2 LYS A 137 21.709 -10.464 -22.168 1.00 0.00 H new ATOM 0 HB3 LYS A 137 20.493 -11.550 -21.523 1.00 0.00 H new ATOM 0 HG2 LYS A 137 21.591 -13.482 -22.674 1.00 0.00 H new ATOM 0 HG3 LYS A 137 22.793 -12.404 -23.355 1.00 0.00 H new ATOM 0 HD2 LYS A 137 23.916 -13.185 -21.439 1.00 0.00 H new ATOM 0 HD3 LYS A 137 23.225 -11.690 -20.841 1.00 0.00 H new ATOM 0 HE2 LYS A 137 21.295 -12.922 -19.873 1.00 0.00 H new ATOM 0 HE3 LYS A 137 21.874 -14.427 -20.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 22.536 -14.210 -18.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 23.909 -14.214 -19.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 23.348 -12.757 -18.576 1.00 0.00 H new ATOM 969 N PRO A 138 18.123 -10.410 -23.190 1.00 0.00 N ATOM 970 CA PRO A 138 17.071 -9.367 -22.981 1.00 0.00 C ATOM 971 C PRO A 138 17.537 -8.269 -22.018 1.00 0.00 C ATOM 972 O PRO A 138 17.047 -7.140 -22.061 1.00 0.00 O ATOM 973 CB PRO A 138 15.906 -10.154 -22.371 1.00 0.00 C ATOM 974 CG PRO A 138 16.090 -11.558 -22.824 1.00 0.00 C ATOM 975 CD PRO A 138 17.576 -11.767 -23.017 1.00 0.00 C ATOM 0 HA PRO A 138 16.813 -8.851 -23.906 1.00 0.00 H new ATOM 0 HB2 PRO A 138 15.916 -10.089 -21.283 1.00 0.00 H new ATOM 0 HB3 PRO A 138 14.947 -9.757 -22.705 1.00 0.00 H new ATOM 0 HG2 PRO A 138 15.694 -12.257 -22.087 1.00 0.00 H new ATOM 0 HG3 PRO A 138 15.551 -11.737 -23.754 1.00 0.00 H new ATOM 0 HD2 PRO A 138 18.021 -12.267 -22.157 1.00 0.00 H new ATOM 0 HD3 PRO A 138 17.779 -12.390 -23.888 1.00 0.00 H new ATOM 983 N GLU A 139 18.481 -8.614 -21.148 1.00 0.00 N ATOM 984 CA GLU A 139 19.010 -7.661 -20.178 1.00 0.00 C ATOM 985 C GLU A 139 19.919 -6.644 -20.864 1.00 0.00 C ATOM 986 O GLU A 139 20.420 -5.716 -20.230 1.00 0.00 O ATOM 987 CB GLU A 139 19.796 -8.395 -19.088 1.00 0.00 C ATOM 988 CG GLU A 139 18.835 -9.242 -18.251 1.00 0.00 C ATOM 989 CD GLU A 139 19.614 -10.037 -17.210 1.00 0.00 C ATOM 990 OE1 GLU A 139 20.832 -10.006 -17.260 1.00 0.00 O ATOM 991 OE2 GLU A 139 18.980 -10.666 -16.378 1.00 0.00 O ATOM 0 H GLU A 139 18.895 -9.545 -21.095 1.00 0.00 H new ATOM 0 HA GLU A 139 18.169 -7.136 -19.725 1.00 0.00 H new ATOM 0 HB2 GLU A 139 20.559 -9.030 -19.539 1.00 0.00 H new ATOM 0 HB3 GLU A 139 20.314 -7.677 -18.452 1.00 0.00 H new ATOM 0 HG2 GLU A 139 18.105 -8.599 -17.759 1.00 0.00 H new ATOM 0 HG3 GLU A 139 18.278 -9.921 -18.897 1.00 0.00 H new ATOM 998 N ASP A 140 20.126 -6.828 -22.164 1.00 0.00 N ATOM 999 CA ASP A 140 20.972 -5.920 -22.929 1.00 0.00 C ATOM 1000 C ASP A 140 20.266 -4.589 -23.177 1.00 0.00 C ATOM 1001 O ASP A 140 20.909 -3.542 -23.261 1.00 0.00 O ATOM 1002 CB ASP A 140 21.348 -6.558 -24.265 1.00 0.00 C ATOM 1003 CG ASP A 140 22.304 -7.722 -24.027 1.00 0.00 C ATOM 1004 OD1 ASP A 140 22.806 -7.834 -22.920 1.00 0.00 O ATOM 1005 OD2 ASP A 140 22.523 -8.481 -24.955 1.00 0.00 O ATOM 0 H ASP A 140 19.723 -7.592 -22.706 1.00 0.00 H new ATOM 0 HA ASP A 140 21.875 -5.729 -22.349 1.00 0.00 H new ATOM 0 HB2 ASP A 140 20.452 -6.909 -24.776 1.00 0.00 H new ATOM 0 HB3 ASP A 140 21.816 -5.817 -24.914 1.00 0.00 H new ATOM 1010 N PHE A 141 18.942 -4.640 -23.301 1.00 0.00 N ATOM 1011 CA PHE A 141 18.161 -3.430 -23.548 1.00 0.00 C ATOM 1012 C PHE A 141 17.416 -3.009 -22.286 1.00 0.00 C ATOM 1013 O PHE A 141 16.720 -3.817 -21.673 1.00 0.00 O ATOM 1014 CB PHE A 141 17.154 -3.680 -24.671 1.00 0.00 C ATOM 1015 CG PHE A 141 15.965 -4.434 -24.124 1.00 0.00 C ATOM 1016 CD1 PHE A 141 15.980 -5.832 -24.082 1.00 0.00 C ATOM 1017 CD2 PHE A 141 14.846 -3.732 -23.662 1.00 0.00 C ATOM 1018 CE1 PHE A 141 14.875 -6.527 -23.576 1.00 0.00 C ATOM 1019 CE2 PHE A 141 13.742 -4.427 -23.156 1.00 0.00 C ATOM 1020 CZ PHE A 141 13.757 -5.826 -23.112 1.00 0.00 C ATOM 0 H PHE A 141 18.392 -5.496 -23.235 1.00 0.00 H new ATOM 0 HA PHE A 141 18.844 -2.632 -23.840 1.00 0.00 H new ATOM 0 HB2 PHE A 141 16.830 -2.732 -25.101 1.00 0.00 H new ATOM 0 HB3 PHE A 141 17.622 -4.251 -25.473 1.00 0.00 H new ATOM 0 HD1 PHE A 141 16.843 -6.375 -24.439 1.00 0.00 H new ATOM 0 HD2 PHE A 141 14.835 -2.653 -23.696 1.00 0.00 H new ATOM 0 HE1 PHE A 141 14.886 -7.606 -23.544 1.00 0.00 H new ATOM 0 HE2 PHE A 141 12.879 -3.884 -22.800 1.00 0.00 H new ATOM 0 HZ PHE A 141 12.906 -6.364 -22.720 1.00 0.00 H new ATOM 1030 N ASP A 142 17.567 -1.741 -21.912 1.00 0.00 N ATOM 1031 CA ASP A 142 16.899 -1.216 -20.724 1.00 0.00 C ATOM 1032 C ASP A 142 15.968 -0.066 -21.096 1.00 0.00 C ATOM 1033 O ASP A 142 16.400 0.925 -21.685 1.00 0.00 O ATOM 1034 CB ASP A 142 17.937 -0.732 -19.713 1.00 0.00 C ATOM 1035 CG ASP A 142 18.666 -1.925 -19.105 1.00 0.00 C ATOM 1036 OD1 ASP A 142 18.197 -3.036 -19.287 1.00 0.00 O ATOM 1037 OD2 ASP A 142 19.682 -1.711 -18.465 1.00 0.00 O ATOM 0 H ASP A 142 18.142 -1.062 -22.410 1.00 0.00 H new ATOM 0 HA ASP A 142 16.307 -2.016 -20.279 1.00 0.00 H new ATOM 0 HB2 ASP A 142 18.651 -0.069 -20.201 1.00 0.00 H new ATOM 0 HB3 ASP A 142 17.450 -0.154 -18.928 1.00 0.00 H new ATOM 1042 N PHE A 143 14.692 -0.204 -20.748 1.00 0.00 N ATOM 1043 CA PHE A 143 13.716 0.836 -21.053 1.00 0.00 C ATOM 1044 C PHE A 143 13.806 1.970 -20.035 1.00 0.00 C ATOM 1045 O PHE A 143 13.480 3.117 -20.337 1.00 0.00 O ATOM 1046 CB PHE A 143 12.304 0.248 -21.032 1.00 0.00 C ATOM 1047 CG PHE A 143 11.798 0.197 -19.610 1.00 0.00 C ATOM 1048 CD1 PHE A 143 12.100 -0.902 -18.795 1.00 0.00 C ATOM 1049 CD2 PHE A 143 11.027 1.252 -19.106 1.00 0.00 C ATOM 1050 CE1 PHE A 143 11.628 -0.944 -17.477 1.00 0.00 C ATOM 1051 CE2 PHE A 143 10.556 1.208 -17.789 1.00 0.00 C ATOM 1052 CZ PHE A 143 10.856 0.110 -16.974 1.00 0.00 C ATOM 0 H PHE A 143 14.313 -1.016 -20.260 1.00 0.00 H new ATOM 0 HA PHE A 143 13.933 1.231 -22.045 1.00 0.00 H new ATOM 0 HB2 PHE A 143 11.637 0.855 -21.644 1.00 0.00 H new ATOM 0 HB3 PHE A 143 12.310 -0.753 -21.463 1.00 0.00 H new ATOM 0 HD1 PHE A 143 12.696 -1.715 -19.182 1.00 0.00 H new ATOM 0 HD2 PHE A 143 10.796 2.100 -19.734 1.00 0.00 H new ATOM 0 HE1 PHE A 143 11.860 -1.791 -16.848 1.00 0.00 H new ATOM 0 HE2 PHE A 143 9.961 2.021 -17.401 1.00 0.00 H new ATOM 0 HZ PHE A 143 10.492 0.076 -15.958 1.00 0.00 H new