USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=16 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 -70:sc= 0.0382 USER MOD Set 1.2: A 114 GLN :FLIP amide:sc= -2.81! C(o=-3.5!,f=-2.8!) USER MOD Set 1.3: A 127 TYR OH : rot 139:sc= -0.0558 USER MOD Set 2.1: A 122 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 126 ASN : amide:sc= -0.0488 K(o=-0.049,f=-1) USER MOD Set 3.1: A 120 SER OG : rot 180:sc= 0.103 USER MOD Set 3.2: A 123 SER OG : rot -66:sc= 0.671 USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -158:sc= -0.0795 (180deg=-0.555) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 101 LYS NZ :NH3+ 154:sc= -0.331 (180deg=-1.39!) USER MOD Single : A 102 THR OG1 : rot -160:sc= 0 USER MOD Single : A 109 TYR OH : rot 1:sc= -0.623 USER MOD Single : A 117 LYS NZ :NH3+ -169:sc= 0.00102 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 130 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0916) USER MOD Single : A 131 ASN : amide:sc= 0.0038 K(o=0.0038,f=-2.5!) USER MOD Single : A 134 THR OG1 : rot 39:sc= 1.09 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ -161:sc= -0.0531 (180deg=-0.474) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 87 25.025 -1.397 -24.962 1.00 0.00 N ATOM 135 CA PRO A 87 25.875 -1.915 -26.077 1.00 0.00 C ATOM 136 C PRO A 87 26.032 -0.893 -27.199 1.00 0.00 C ATOM 137 O PRO A 87 25.085 -0.185 -27.545 1.00 0.00 O ATOM 138 CB PRO A 87 25.107 -3.145 -26.571 1.00 0.00 C ATOM 139 CG PRO A 87 24.285 -3.584 -25.406 1.00 0.00 C ATOM 140 CD PRO A 87 23.919 -2.315 -24.649 1.00 0.00 C ATOM 0 HA PRO A 87 26.890 -2.139 -25.750 1.00 0.00 H new ATOM 0 HB2 PRO A 87 24.478 -2.900 -27.427 1.00 0.00 H new ATOM 0 HB3 PRO A 87 25.789 -3.933 -26.892 1.00 0.00 H new ATOM 0 HG2 PRO A 87 23.391 -4.113 -25.736 1.00 0.00 H new ATOM 0 HG3 PRO A 87 24.844 -4.270 -24.770 1.00 0.00 H new ATOM 0 HD2 PRO A 87 22.960 -1.914 -24.977 1.00 0.00 H new ATOM 0 HD3 PRO A 87 23.839 -2.496 -23.577 1.00 0.00 H new ATOM 148 N CYS A 88 27.235 -0.818 -27.759 1.00 0.00 N ATOM 149 CA CYS A 88 27.508 0.124 -28.835 1.00 0.00 C ATOM 150 C CYS A 88 26.676 -0.215 -30.067 1.00 0.00 C ATOM 151 O CYS A 88 26.462 -1.386 -30.383 1.00 0.00 O ATOM 152 CB CYS A 88 28.995 0.085 -29.198 1.00 0.00 C ATOM 153 SG CYS A 88 29.973 0.722 -27.814 1.00 0.00 S ATOM 0 H CYS A 88 28.031 -1.395 -27.487 1.00 0.00 H new ATOM 0 HA CYS A 88 27.242 1.124 -28.493 1.00 0.00 H new ATOM 0 HB2 CYS A 88 29.297 -0.936 -29.430 1.00 0.00 H new ATOM 0 HB3 CYS A 88 29.178 0.682 -30.091 1.00 0.00 H new ATOM 0 HG CYS A 88 31.235 0.686 -28.122 1.00 0.00 H new ATOM 159 N GLY A 89 26.212 0.818 -30.760 1.00 0.00 N ATOM 160 CA GLY A 89 25.402 0.628 -31.957 1.00 0.00 C ATOM 161 C GLY A 89 23.915 0.708 -31.633 1.00 0.00 C ATOM 162 O GLY A 89 23.086 0.904 -32.521 1.00 0.00 O ATOM 0 H GLY A 89 26.382 1.793 -30.515 1.00 0.00 H new ATOM 0 HA2 GLY A 89 25.657 1.387 -32.697 1.00 0.00 H new ATOM 0 HA3 GLY A 89 25.628 -0.341 -32.403 1.00 0.00 H new ATOM 166 N TRP A 90 23.583 0.562 -30.352 1.00 0.00 N ATOM 167 CA TRP A 90 22.194 0.623 -29.917 1.00 0.00 C ATOM 168 C TRP A 90 21.855 2.017 -29.405 1.00 0.00 C ATOM 169 O TRP A 90 22.692 2.682 -28.795 1.00 0.00 O ATOM 170 CB TRP A 90 21.939 -0.404 -28.813 1.00 0.00 C ATOM 171 CG TRP A 90 21.800 -1.766 -29.419 1.00 0.00 C ATOM 172 CD1 TRP A 90 22.573 -2.262 -30.415 1.00 0.00 C ATOM 173 CD2 TRP A 90 20.843 -2.812 -29.085 1.00 0.00 C ATOM 174 NE1 TRP A 90 22.149 -3.543 -30.713 1.00 0.00 N ATOM 175 CE2 TRP A 90 21.086 -3.928 -29.920 1.00 0.00 C ATOM 176 CE3 TRP A 90 19.797 -2.901 -28.148 1.00 0.00 C ATOM 177 CZ2 TRP A 90 20.320 -5.090 -29.831 1.00 0.00 C ATOM 178 CZ3 TRP A 90 19.024 -4.070 -28.055 1.00 0.00 C ATOM 179 CH2 TRP A 90 19.285 -5.162 -28.894 1.00 0.00 C ATOM 0 H TRP A 90 24.255 0.401 -29.602 1.00 0.00 H new ATOM 0 HA TRP A 90 21.558 0.396 -30.773 1.00 0.00 H new ATOM 0 HB2 TRP A 90 22.761 -0.395 -28.097 1.00 0.00 H new ATOM 0 HB3 TRP A 90 21.034 -0.145 -28.263 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.387 -1.741 -30.897 1.00 0.00 H new ATOM 0 HE1 TRP A 90 22.570 -4.132 -31.431 1.00 0.00 H new ATOM 0 HE3 TRP A 90 19.587 -2.066 -27.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 20.525 -5.928 -30.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 18.223 -4.128 -27.332 1.00 0.00 H new ATOM 0 HH2 TRP A 90 18.687 -6.058 -28.817 1.00 0.00 H new ATOM 190 N GLU A 91 20.625 2.454 -29.655 1.00 0.00 N ATOM 191 CA GLU A 91 20.183 3.773 -29.213 1.00 0.00 C ATOM 192 C GLU A 91 18.831 3.679 -28.520 1.00 0.00 C ATOM 193 O GLU A 91 18.040 2.780 -28.808 1.00 0.00 O ATOM 194 CB GLU A 91 20.078 4.716 -30.411 1.00 0.00 C ATOM 195 CG GLU A 91 21.456 4.873 -31.064 1.00 0.00 C ATOM 196 CD GLU A 91 21.704 3.731 -32.047 1.00 0.00 C ATOM 197 OE1 GLU A 91 20.893 2.821 -32.089 1.00 0.00 O ATOM 198 OE2 GLU A 91 22.706 3.784 -32.740 1.00 0.00 O ATOM 0 H GLU A 91 19.919 1.917 -30.159 1.00 0.00 H new ATOM 0 HA GLU A 91 20.915 4.163 -28.506 1.00 0.00 H new ATOM 0 HB2 GLU A 91 19.364 4.323 -31.135 1.00 0.00 H new ATOM 0 HB3 GLU A 91 19.704 5.688 -30.090 1.00 0.00 H new ATOM 0 HG2 GLU A 91 21.514 5.829 -31.584 1.00 0.00 H new ATOM 0 HG3 GLU A 91 22.231 4.879 -30.298 1.00 0.00 H new ATOM 205 N ARG A 92 18.573 4.615 -27.607 1.00 0.00 N ATOM 206 CA ARG A 92 17.313 4.634 -26.875 1.00 0.00 C ATOM 207 C ARG A 92 16.563 5.932 -27.151 1.00 0.00 C ATOM 208 O ARG A 92 17.136 7.018 -27.078 1.00 0.00 O ATOM 209 CB ARG A 92 17.573 4.501 -25.373 1.00 0.00 C ATOM 210 CG ARG A 92 16.238 4.480 -24.625 1.00 0.00 C ATOM 211 CD ARG A 92 16.489 4.184 -23.147 1.00 0.00 C ATOM 212 NE ARG A 92 17.299 5.238 -22.550 1.00 0.00 N ATOM 213 CZ ARG A 92 16.748 6.369 -22.122 1.00 0.00 C ATOM 214 NH1 ARG A 92 15.460 6.549 -22.231 1.00 0.00 N ATOM 215 NH2 ARG A 92 17.494 7.298 -21.591 1.00 0.00 N ATOM 0 H ARG A 92 19.218 5.365 -27.359 1.00 0.00 H new ATOM 0 HA ARG A 92 16.706 3.793 -27.209 1.00 0.00 H new ATOM 0 HB2 ARG A 92 18.131 3.587 -25.169 1.00 0.00 H new ATOM 0 HB3 ARG A 92 18.185 5.333 -25.024 1.00 0.00 H new ATOM 0 HG2 ARG A 92 15.732 5.439 -24.734 1.00 0.00 H new ATOM 0 HG3 ARG A 92 15.581 3.723 -25.052 1.00 0.00 H new ATOM 0 HD2 ARG A 92 15.539 4.103 -22.619 1.00 0.00 H new ATOM 0 HD3 ARG A 92 16.995 3.224 -23.042 1.00 0.00 H new ATOM 0 HE ARG A 92 18.306 5.105 -22.459 1.00 0.00 H new ATOM 0 HH11 ARG A 92 14.877 5.822 -22.645 1.00 0.00 H new ATOM 0 HH12 ARG A 92 15.037 7.417 -21.903 1.00 0.00 H new ATOM 0 HH21 ARG A 92 18.500 7.156 -21.504 1.00 0.00 H new ATOM 0 HH22 ARG A 92 17.071 8.166 -21.263 1.00 0.00 H new ATOM 229 N VAL A 93 15.282 5.802 -27.479 1.00 0.00 N ATOM 230 CA VAL A 93 14.444 6.960 -27.778 1.00 0.00 C ATOM 231 C VAL A 93 13.227 7.003 -26.869 1.00 0.00 C ATOM 232 O VAL A 93 12.632 5.971 -26.583 1.00 0.00 O ATOM 233 CB VAL A 93 13.986 6.911 -29.233 1.00 0.00 C ATOM 234 CG1 VAL A 93 12.750 7.794 -29.404 1.00 0.00 C ATOM 235 CG2 VAL A 93 15.107 7.433 -30.134 1.00 0.00 C ATOM 0 H VAL A 93 14.800 4.906 -27.545 1.00 0.00 H new ATOM 0 HA VAL A 93 15.038 7.858 -27.608 1.00 0.00 H new ATOM 0 HB VAL A 93 13.744 5.884 -29.506 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.420 7.761 -30.442 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.951 7.430 -28.758 1.00 0.00 H new ATOM 0 HG13 VAL A 93 12.996 8.821 -29.134 1.00 0.00 H new ATOM 0 HG21 VAL A 93 14.783 7.399 -31.174 1.00 0.00 H new ATOM 0 HG22 VAL A 93 15.344 8.461 -29.861 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.993 6.811 -30.010 1.00 0.00 H new ATOM 245 N VAL A 94 12.866 8.207 -26.427 1.00 0.00 N ATOM 246 CA VAL A 94 11.708 8.373 -25.551 1.00 0.00 C ATOM 247 C VAL A 94 10.679 9.292 -26.205 1.00 0.00 C ATOM 248 O VAL A 94 11.038 10.297 -26.820 1.00 0.00 O ATOM 249 CB VAL A 94 12.146 8.967 -24.212 1.00 0.00 C ATOM 250 CG1 VAL A 94 13.207 8.067 -23.581 1.00 0.00 C ATOM 251 CG2 VAL A 94 12.728 10.364 -24.438 1.00 0.00 C ATOM 0 H VAL A 94 13.353 9.073 -26.658 1.00 0.00 H new ATOM 0 HA VAL A 94 11.257 7.395 -25.382 1.00 0.00 H new ATOM 0 HB VAL A 94 11.286 9.038 -23.546 1.00 0.00 H new ATOM 0 HG11 VAL A 94 13.521 8.489 -22.626 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.791 7.072 -23.419 1.00 0.00 H new ATOM 0 HG13 VAL A 94 14.067 7.997 -24.247 1.00 0.00 H new ATOM 0 HG21 VAL A 94 13.040 10.787 -23.483 1.00 0.00 H new ATOM 0 HG22 VAL A 94 13.589 10.296 -25.104 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.970 11.005 -24.889 1.00 0.00 H new ATOM 261 N LYS A 95 9.405 8.939 -26.060 1.00 0.00 N ATOM 262 CA LYS A 95 8.327 9.736 -26.634 1.00 0.00 C ATOM 263 C LYS A 95 7.242 10.007 -25.597 1.00 0.00 C ATOM 264 O LYS A 95 6.781 9.096 -24.912 1.00 0.00 O ATOM 265 CB LYS A 95 7.718 9.011 -27.837 1.00 0.00 C ATOM 266 CG LYS A 95 8.711 9.024 -29.003 1.00 0.00 C ATOM 267 CD LYS A 95 8.087 8.323 -30.211 1.00 0.00 C ATOM 268 CE LYS A 95 9.058 8.382 -31.393 1.00 0.00 C ATOM 269 NZ LYS A 95 9.255 9.801 -31.800 1.00 0.00 N ATOM 0 H LYS A 95 9.095 8.110 -25.552 1.00 0.00 H new ATOM 0 HA LYS A 95 8.745 10.688 -26.959 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.471 7.984 -27.568 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.788 9.496 -28.133 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.973 10.050 -29.260 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.634 8.522 -28.714 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.859 7.286 -29.965 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.145 8.802 -30.476 1.00 0.00 H new ATOM 0 HE2 LYS A 95 10.013 7.935 -31.116 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.666 7.803 -32.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.587 9.837 -32.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.354 10.313 -31.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.962 10.245 -31.180 1.00 0.00 H new ATOM 283 N GLN A 96 6.842 11.270 -25.491 1.00 0.00 N ATOM 284 CA GLN A 96 5.812 11.651 -24.534 1.00 0.00 C ATOM 285 C GLN A 96 4.429 11.438 -25.130 1.00 0.00 C ATOM 286 O GLN A 96 4.122 11.946 -26.205 1.00 0.00 O ATOM 287 CB GLN A 96 5.979 13.120 -24.138 1.00 0.00 C ATOM 288 CG GLN A 96 4.936 13.491 -23.079 1.00 0.00 C ATOM 289 CD GLN A 96 5.150 14.928 -22.617 1.00 0.00 C ATOM 290 OE1 GLN A 96 5.649 15.757 -23.375 1.00 0.00 O ATOM 291 NE2 GLN A 96 4.793 15.273 -21.410 1.00 0.00 N ATOM 0 H GLN A 96 7.211 12.039 -26.050 1.00 0.00 H new ATOM 0 HA GLN A 96 5.916 11.025 -23.648 1.00 0.00 H new ATOM 0 HB2 GLN A 96 6.983 13.290 -23.749 1.00 0.00 H new ATOM 0 HB3 GLN A 96 5.865 13.758 -25.014 1.00 0.00 H new ATOM 0 HG2 GLN A 96 3.933 13.378 -23.490 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.011 12.812 -22.229 1.00 0.00 H new ATOM 0 HE21 GLN A 96 4.379 14.583 -20.784 1.00 0.00 H new ATOM 0 HE22 GLN A 96 4.928 16.233 -21.093 1.00 0.00 H new ATOM 300 N ARG A 97 3.601 10.680 -24.422 1.00 0.00 N ATOM 301 CA ARG A 97 2.246 10.401 -24.888 1.00 0.00 C ATOM 302 C ARG A 97 1.364 11.635 -24.752 1.00 0.00 C ATOM 303 O ARG A 97 1.499 12.398 -23.796 1.00 0.00 O ATOM 304 CB ARG A 97 1.628 9.260 -24.086 1.00 0.00 C ATOM 305 CG ARG A 97 1.321 8.074 -25.011 1.00 0.00 C ATOM 306 CD ARG A 97 0.507 7.018 -24.258 1.00 0.00 C ATOM 307 NE ARG A 97 1.315 5.834 -24.019 1.00 0.00 N ATOM 308 CZ ARG A 97 0.757 4.704 -23.606 1.00 0.00 C ATOM 309 NH1 ARG A 97 -0.530 4.649 -23.411 1.00 0.00 N ATOM 310 NH2 ARG A 97 1.500 3.657 -23.379 1.00 0.00 N ATOM 0 H ARG A 97 3.840 10.249 -23.529 1.00 0.00 H new ATOM 0 HA ARG A 97 2.309 10.116 -25.938 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.311 8.948 -23.296 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.713 9.600 -23.601 1.00 0.00 H new ATOM 0 HG2 ARG A 97 0.767 8.418 -25.884 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.250 7.637 -25.375 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.158 7.426 -23.309 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.378 6.752 -24.835 1.00 0.00 H new ATOM 0 HE ARG A 97 2.323 5.872 -24.171 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -1.107 5.474 -23.576 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.961 3.781 -23.093 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.509 3.708 -23.519 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.072 2.787 -23.061 1.00 0.00 H new ATOM 324 N LEU A 98 0.458 11.818 -25.714 1.00 0.00 N ATOM 325 CA LEU A 98 -0.447 12.965 -25.691 1.00 0.00 C ATOM 326 C LEU A 98 -1.895 12.508 -25.785 1.00 0.00 C ATOM 327 O LEU A 98 -2.375 12.153 -26.863 1.00 0.00 O ATOM 328 CB LEU A 98 -0.132 13.914 -26.857 1.00 0.00 C ATOM 329 CG LEU A 98 1.062 14.808 -26.492 1.00 0.00 C ATOM 330 CD1 LEU A 98 2.333 13.970 -26.376 1.00 0.00 C ATOM 331 CD2 LEU A 98 1.255 15.869 -27.571 1.00 0.00 C ATOM 0 H LEU A 98 0.333 11.193 -26.510 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.303 13.492 -24.748 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.094 13.339 -27.755 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.003 14.529 -27.083 1.00 0.00 H new ATOM 0 HG LEU A 98 0.862 15.288 -25.534 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.172 14.616 -26.117 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.202 13.216 -25.600 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.533 13.479 -27.328 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.103 16.503 -27.311 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.445 15.384 -28.528 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.355 16.480 -27.646 1.00 0.00 H new ATOM 343 N PHE A 99 -2.587 12.523 -24.652 1.00 0.00 N ATOM 344 CA PHE A 99 -3.983 12.107 -24.618 1.00 0.00 C ATOM 345 C PHE A 99 -4.696 12.704 -23.407 1.00 0.00 C ATOM 346 O PHE A 99 -5.155 13.845 -23.445 1.00 0.00 O ATOM 347 CB PHE A 99 -4.074 10.582 -24.564 1.00 0.00 C ATOM 348 CG PHE A 99 -3.655 10.003 -25.894 1.00 0.00 C ATOM 349 CD1 PHE A 99 -4.546 10.019 -26.973 1.00 0.00 C ATOM 350 CD2 PHE A 99 -2.377 9.452 -26.049 1.00 0.00 C ATOM 351 CE1 PHE A 99 -4.158 9.484 -28.208 1.00 0.00 C ATOM 352 CE2 PHE A 99 -1.991 8.917 -27.283 1.00 0.00 C ATOM 353 CZ PHE A 99 -2.882 8.934 -28.363 1.00 0.00 C ATOM 0 H PHE A 99 -2.208 12.816 -23.752 1.00 0.00 H new ATOM 0 HA PHE A 99 -4.469 12.468 -25.524 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.434 10.197 -23.770 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.093 10.276 -24.328 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.532 10.443 -26.854 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.689 9.440 -25.216 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.845 9.496 -29.041 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.006 8.491 -27.402 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.584 8.522 -29.316 1.00 0.00 H new ATOM 363 N GLY A 100 -4.782 11.923 -22.333 1.00 0.00 N ATOM 364 CA GLY A 100 -5.440 12.388 -21.116 1.00 0.00 C ATOM 365 C GLY A 100 -5.529 11.268 -20.084 1.00 0.00 C ATOM 366 O GLY A 100 -5.006 11.389 -18.976 1.00 0.00 O ATOM 0 H GLY A 100 -4.409 10.975 -22.280 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.888 13.230 -20.698 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -6.441 12.749 -21.354 1.00 0.00 H new ATOM 370 N LYS A 101 -6.192 10.183 -20.455 1.00 0.00 N ATOM 371 CA LYS A 101 -6.343 9.041 -19.557 1.00 0.00 C ATOM 372 C LYS A 101 -4.980 8.466 -19.171 1.00 0.00 C ATOM 373 O LYS A 101 -4.706 8.230 -17.995 1.00 0.00 O ATOM 374 CB LYS A 101 -7.180 7.955 -20.235 1.00 0.00 C ATOM 375 CG LYS A 101 -6.691 7.730 -21.678 1.00 0.00 C ATOM 376 CD LYS A 101 -7.853 7.918 -22.649 1.00 0.00 C ATOM 377 CE LYS A 101 -7.325 7.865 -24.083 1.00 0.00 C ATOM 378 NZ LYS A 101 -7.371 9.232 -24.678 1.00 0.00 N ATOM 0 H LYS A 101 -6.633 10.066 -21.367 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.846 9.383 -18.652 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.109 7.025 -19.670 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -8.231 8.246 -20.240 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -5.890 8.430 -21.914 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -6.278 6.727 -21.780 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.600 7.140 -22.495 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.345 8.873 -22.465 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -6.303 7.486 -24.092 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.925 7.177 -24.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -6.652 9.310 -25.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.313 9.402 -25.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.180 9.939 -23.939 1.00 0.00 H new ATOM 392 N THR A 102 -4.134 8.242 -20.174 1.00 0.00 N ATOM 393 CA THR A 102 -2.805 7.693 -19.935 1.00 0.00 C ATOM 394 C THR A 102 -1.741 8.761 -20.104 1.00 0.00 C ATOM 395 O THR A 102 -0.583 8.548 -19.748 1.00 0.00 O ATOM 396 CB THR A 102 -2.539 6.531 -20.890 1.00 0.00 C ATOM 397 OG1 THR A 102 -2.692 6.980 -22.229 1.00 0.00 O ATOM 398 CG2 THR A 102 -3.526 5.393 -20.608 1.00 0.00 C ATOM 0 H THR A 102 -4.345 8.431 -21.154 1.00 0.00 H new ATOM 0 HA THR A 102 -2.764 7.328 -18.909 1.00 0.00 H new ATOM 0 HB THR A 102 -1.523 6.164 -20.744 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.839 6.210 -22.817 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.333 4.566 -21.291 1.00 0.00 H new ATOM 0 HG22 THR A 102 -3.403 5.051 -19.580 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.545 5.752 -20.751 1.00 0.00 H new ATOM 406 N ALA A 103 -2.145 9.909 -20.645 1.00 0.00 N ATOM 407 CA ALA A 103 -1.221 11.017 -20.851 1.00 0.00 C ATOM 408 C ALA A 103 -0.249 11.127 -19.677 1.00 0.00 C ATOM 409 O ALA A 103 -0.490 10.575 -18.603 1.00 0.00 O ATOM 410 CB ALA A 103 -1.994 12.327 -21.000 1.00 0.00 C ATOM 0 H ALA A 103 -3.102 10.094 -20.947 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.655 10.827 -21.763 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.293 13.148 -21.153 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.665 12.258 -21.856 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.576 12.511 -20.097 1.00 0.00 H new ATOM 416 N GLY A 104 0.844 11.840 -19.888 1.00 0.00 N ATOM 417 CA GLY A 104 1.844 12.016 -18.840 1.00 0.00 C ATOM 418 C GLY A 104 2.747 10.790 -18.751 1.00 0.00 C ATOM 419 O GLY A 104 3.683 10.749 -17.948 1.00 0.00 O ATOM 0 H GLY A 104 1.064 12.305 -20.769 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.444 12.902 -19.047 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.350 12.182 -17.882 1.00 0.00 H new ATOM 423 N ARG A 105 2.462 9.796 -19.584 1.00 0.00 N ATOM 424 CA ARG A 105 3.250 8.571 -19.599 1.00 0.00 C ATOM 425 C ARG A 105 4.327 8.643 -20.672 1.00 0.00 C ATOM 426 O ARG A 105 4.074 9.105 -21.783 1.00 0.00 O ATOM 427 CB ARG A 105 2.345 7.361 -19.854 1.00 0.00 C ATOM 428 CG ARG A 105 3.184 6.078 -19.827 1.00 0.00 C ATOM 429 CD ARG A 105 3.404 5.579 -21.257 1.00 0.00 C ATOM 430 NE ARG A 105 4.312 4.440 -21.257 1.00 0.00 N ATOM 431 CZ ARG A 105 3.867 3.204 -21.057 1.00 0.00 C ATOM 432 NH1 ARG A 105 2.595 2.993 -20.853 1.00 0.00 N ATOM 433 NH2 ARG A 105 4.701 2.200 -21.063 1.00 0.00 N ATOM 0 H ARG A 105 1.694 9.814 -20.255 1.00 0.00 H new ATOM 0 HA ARG A 105 3.729 8.460 -18.626 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.563 7.313 -19.096 1.00 0.00 H new ATOM 0 HB3 ARG A 105 1.848 7.463 -20.819 1.00 0.00 H new ATOM 0 HG2 ARG A 105 4.143 6.269 -19.346 1.00 0.00 H new ATOM 0 HG3 ARG A 105 2.678 5.313 -19.238 1.00 0.00 H new ATOM 0 HD2 ARG A 105 2.450 5.293 -21.701 1.00 0.00 H new ATOM 0 HD3 ARG A 105 3.814 6.381 -21.871 1.00 0.00 H new ATOM 0 HE ARG A 105 5.308 4.594 -21.413 1.00 0.00 H new ATOM 0 HH11 ARG A 105 1.943 3.777 -20.847 1.00 0.00 H new ATOM 0 HH12 ARG A 105 2.254 2.044 -20.700 1.00 0.00 H new ATOM 0 HH21 ARG A 105 5.695 2.364 -21.221 1.00 0.00 H new ATOM 0 HH22 ARG A 105 4.359 1.252 -20.909 1.00 0.00 H new ATOM 447 N PHE A 106 5.529 8.188 -20.335 1.00 0.00 N ATOM 448 CA PHE A 106 6.636 8.212 -21.285 1.00 0.00 C ATOM 449 C PHE A 106 6.899 6.813 -21.831 1.00 0.00 C ATOM 450 O PHE A 106 6.913 5.839 -21.079 1.00 0.00 O ATOM 451 CB PHE A 106 7.898 8.739 -20.599 1.00 0.00 C ATOM 452 CG PHE A 106 7.718 10.201 -20.270 1.00 0.00 C ATOM 453 CD1 PHE A 106 7.160 10.581 -19.043 1.00 0.00 C ATOM 454 CD2 PHE A 106 8.114 11.178 -21.191 1.00 0.00 C ATOM 455 CE1 PHE A 106 6.996 11.936 -18.739 1.00 0.00 C ATOM 456 CE2 PHE A 106 7.949 12.534 -20.888 1.00 0.00 C ATOM 457 CZ PHE A 106 7.390 12.914 -19.661 1.00 0.00 C ATOM 0 H PHE A 106 5.761 7.801 -19.420 1.00 0.00 H new ATOM 0 HA PHE A 106 6.370 8.870 -22.112 1.00 0.00 H new ATOM 0 HB2 PHE A 106 8.094 8.172 -19.689 1.00 0.00 H new ATOM 0 HB3 PHE A 106 8.762 8.605 -21.250 1.00 0.00 H new ATOM 0 HD1 PHE A 106 6.856 9.827 -18.331 1.00 0.00 H new ATOM 0 HD2 PHE A 106 8.547 10.885 -22.136 1.00 0.00 H new ATOM 0 HE1 PHE A 106 6.565 12.229 -17.793 1.00 0.00 H new ATOM 0 HE2 PHE A 106 8.252 13.287 -21.600 1.00 0.00 H new ATOM 0 HZ PHE A 106 7.263 13.960 -19.426 1.00 0.00 H new ATOM 467 N ASP A 107 7.112 6.726 -23.143 1.00 0.00 N ATOM 468 CA ASP A 107 7.377 5.442 -23.785 1.00 0.00 C ATOM 469 C ASP A 107 8.790 5.414 -24.349 1.00 0.00 C ATOM 470 O ASP A 107 9.181 6.298 -25.115 1.00 0.00 O ATOM 471 CB ASP A 107 6.369 5.200 -24.911 1.00 0.00 C ATOM 472 CG ASP A 107 4.948 5.309 -24.367 1.00 0.00 C ATOM 473 OD1 ASP A 107 4.424 4.299 -23.928 1.00 0.00 O ATOM 474 OD2 ASP A 107 4.406 6.401 -24.396 1.00 0.00 O ATOM 0 H ASP A 107 7.106 7.524 -23.778 1.00 0.00 H new ATOM 0 HA ASP A 107 7.278 4.654 -23.038 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.519 5.928 -25.708 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.527 4.213 -25.346 1.00 0.00 H new ATOM 479 N VAL A 108 9.554 4.397 -23.957 1.00 0.00 N ATOM 480 CA VAL A 108 10.929 4.264 -24.422 1.00 0.00 C ATOM 481 C VAL A 108 11.186 2.859 -24.955 1.00 0.00 C ATOM 482 O VAL A 108 10.557 1.894 -24.524 1.00 0.00 O ATOM 483 CB VAL A 108 11.898 4.559 -23.280 1.00 0.00 C ATOM 484 CG1 VAL A 108 11.347 5.696 -22.417 1.00 0.00 C ATOM 485 CG2 VAL A 108 12.074 3.307 -22.431 1.00 0.00 C ATOM 0 H VAL A 108 9.246 3.659 -23.324 1.00 0.00 H new ATOM 0 HA VAL A 108 11.086 4.980 -25.229 1.00 0.00 H new ATOM 0 HB VAL A 108 12.863 4.858 -23.690 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.041 5.904 -21.603 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.226 6.591 -23.028 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.381 5.405 -22.005 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.766 3.515 -21.615 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.110 3.006 -22.022 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.473 2.502 -23.048 1.00 0.00 H new ATOM 495 N TYR A 109 12.122 2.752 -25.891 1.00 0.00 N ATOM 496 CA TYR A 109 12.468 1.460 -26.477 1.00 0.00 C ATOM 497 C TYR A 109 13.869 1.493 -27.079 1.00 0.00 C ATOM 498 O TYR A 109 14.467 2.559 -27.220 1.00 0.00 O ATOM 499 CB TYR A 109 11.446 1.075 -27.545 1.00 0.00 C ATOM 500 CG TYR A 109 11.070 2.300 -28.338 1.00 0.00 C ATOM 501 CD1 TYR A 109 11.987 2.865 -29.230 1.00 0.00 C ATOM 502 CD2 TYR A 109 9.800 2.867 -28.182 1.00 0.00 C ATOM 503 CE1 TYR A 109 11.635 4.003 -29.966 1.00 0.00 C ATOM 504 CE2 TYR A 109 9.448 4.004 -28.918 1.00 0.00 C ATOM 505 CZ TYR A 109 10.366 4.571 -29.809 1.00 0.00 C ATOM 506 OH TYR A 109 10.019 5.691 -30.535 1.00 0.00 O ATOM 0 H TYR A 109 12.654 3.540 -26.260 1.00 0.00 H new ATOM 0 HA TYR A 109 12.454 0.711 -25.685 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.862 0.314 -28.205 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.560 0.643 -27.079 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.965 2.424 -29.351 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.092 2.428 -27.494 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.342 4.442 -30.654 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.469 4.443 -28.798 1.00 0.00 H new ATOM 0 HH TYR A 109 10.764 5.946 -31.118 1.00 0.00 H new ATOM 516 N PHE A 110 14.387 0.320 -27.435 1.00 0.00 N ATOM 517 CA PHE A 110 15.719 0.234 -28.020 1.00 0.00 C ATOM 518 C PHE A 110 15.620 0.075 -29.533 1.00 0.00 C ATOM 519 O PHE A 110 14.755 -0.647 -30.033 1.00 0.00 O ATOM 520 CB PHE A 110 16.468 -0.962 -27.432 1.00 0.00 C ATOM 521 CG PHE A 110 16.801 -0.684 -25.989 1.00 0.00 C ATOM 522 CD1 PHE A 110 15.849 -0.924 -24.994 1.00 0.00 C ATOM 523 CD2 PHE A 110 18.064 -0.188 -25.645 1.00 0.00 C ATOM 524 CE1 PHE A 110 16.157 -0.669 -23.655 1.00 0.00 C ATOM 525 CE2 PHE A 110 18.374 0.068 -24.304 1.00 0.00 C ATOM 526 CZ PHE A 110 17.419 -0.172 -23.308 1.00 0.00 C ATOM 0 H PHE A 110 13.909 -0.575 -27.329 1.00 0.00 H new ATOM 0 HA PHE A 110 16.261 1.152 -27.791 1.00 0.00 H new ATOM 0 HB2 PHE A 110 15.857 -1.861 -27.509 1.00 0.00 H new ATOM 0 HB3 PHE A 110 17.381 -1.148 -27.998 1.00 0.00 H new ATOM 0 HD1 PHE A 110 14.875 -1.307 -25.260 1.00 0.00 H new ATOM 0 HD2 PHE A 110 18.799 -0.003 -26.414 1.00 0.00 H new ATOM 0 HE1 PHE A 110 15.421 -0.855 -22.887 1.00 0.00 H new ATOM 0 HE2 PHE A 110 19.348 0.450 -24.038 1.00 0.00 H new ATOM 0 HZ PHE A 110 17.656 0.026 -22.273 1.00 0.00 H new ATOM 536 N ILE A 111 16.507 0.759 -30.255 1.00 0.00 N ATOM 537 CA ILE A 111 16.509 0.694 -31.715 1.00 0.00 C ATOM 538 C ILE A 111 17.790 0.057 -32.220 1.00 0.00 C ATOM 539 O ILE A 111 18.890 0.565 -31.969 1.00 0.00 O ATOM 540 CB ILE A 111 16.376 2.102 -32.297 1.00 0.00 C ATOM 541 CG1 ILE A 111 15.151 2.792 -31.683 1.00 0.00 C ATOM 542 CG2 ILE A 111 16.211 2.017 -33.816 1.00 0.00 C ATOM 543 CD1 ILE A 111 13.887 1.958 -31.931 1.00 0.00 C ATOM 0 H ILE A 111 17.228 1.360 -29.856 1.00 0.00 H new ATOM 0 HA ILE A 111 15.664 0.084 -32.034 1.00 0.00 H new ATOM 0 HB ILE A 111 17.272 2.678 -32.065 1.00 0.00 H new ATOM 0 HG12 ILE A 111 15.301 2.927 -30.612 1.00 0.00 H new ATOM 0 HG13 ILE A 111 15.030 3.785 -32.116 1.00 0.00 H new ATOM 0 HG21 ILE A 111 16.116 3.021 -34.228 1.00 0.00 H new ATOM 0 HG22 ILE A 111 17.083 1.527 -34.250 1.00 0.00 H new ATOM 0 HG23 ILE A 111 15.316 1.442 -34.053 1.00 0.00 H new ATOM 0 HD11 ILE A 111 13.027 2.461 -31.489 1.00 0.00 H new ATOM 0 HD12 ILE A 111 13.730 1.845 -33.004 1.00 0.00 H new ATOM 0 HD13 ILE A 111 14.005 0.974 -31.476 1.00 0.00 H new ATOM 555 N SER A 112 17.645 -1.062 -32.925 1.00 0.00 N ATOM 556 CA SER A 112 18.797 -1.758 -33.444 1.00 0.00 C ATOM 557 C SER A 112 19.366 -1.030 -34.668 1.00 0.00 C ATOM 558 O SER A 112 18.633 -0.329 -35.370 1.00 0.00 O ATOM 559 CB SER A 112 18.413 -3.193 -33.830 1.00 0.00 C ATOM 560 OG SER A 112 17.443 -3.160 -34.862 1.00 0.00 O ATOM 0 H SER A 112 16.748 -1.495 -33.143 1.00 0.00 H new ATOM 0 HA SER A 112 19.561 -1.783 -32.667 1.00 0.00 H new ATOM 0 HB2 SER A 112 19.295 -3.740 -34.163 1.00 0.00 H new ATOM 0 HB3 SER A 112 18.019 -3.721 -32.962 1.00 0.00 H new ATOM 0 HG SER A 112 16.594 -2.828 -34.503 1.00 0.00 H new ATOM 566 N PRO A 113 20.637 -1.199 -34.955 1.00 0.00 N ATOM 567 CA PRO A 113 21.285 -0.563 -36.143 1.00 0.00 C ATOM 568 C PRO A 113 20.506 -0.822 -37.434 1.00 0.00 C ATOM 569 O PRO A 113 20.690 -0.125 -38.432 1.00 0.00 O ATOM 570 CB PRO A 113 22.658 -1.236 -36.202 1.00 0.00 C ATOM 571 CG PRO A 113 22.942 -1.685 -34.813 1.00 0.00 C ATOM 572 CD PRO A 113 21.609 -1.993 -34.175 1.00 0.00 C ATOM 0 HA PRO A 113 21.333 0.522 -36.051 1.00 0.00 H new ATOM 0 HB2 PRO A 113 22.652 -2.079 -36.893 1.00 0.00 H new ATOM 0 HB3 PRO A 113 23.421 -0.541 -36.553 1.00 0.00 H new ATOM 0 HG2 PRO A 113 23.583 -2.567 -34.815 1.00 0.00 H new ATOM 0 HG3 PRO A 113 23.468 -0.910 -34.256 1.00 0.00 H new ATOM 0 HD2 PRO A 113 21.382 -3.058 -34.223 1.00 0.00 H new ATOM 0 HD3 PRO A 113 21.598 -1.712 -33.122 1.00 0.00 H new ATOM 580 N GLN A 114 19.636 -1.830 -37.408 1.00 0.00 N ATOM 581 CA GLN A 114 18.839 -2.167 -38.582 1.00 0.00 C ATOM 582 C GLN A 114 17.624 -1.251 -38.689 1.00 0.00 C ATOM 583 O GLN A 114 16.878 -1.306 -39.666 1.00 0.00 O ATOM 584 CB GLN A 114 18.375 -3.623 -38.496 1.00 0.00 C ATOM 585 CG GLN A 114 19.568 -4.553 -38.718 1.00 0.00 C ATOM 586 CD GLN A 114 20.579 -4.387 -37.589 1.00 0.00 C ATOM 587 OE1 GLN A 114 20.190 -4.530 -36.351 1.00 0.00 O flip ATOM 588 NE2 GLN A 114 21.752 -4.117 -37.840 1.00 0.00 N flip ATOM 0 H GLN A 114 19.467 -2.422 -36.594 1.00 0.00 H new ATOM 0 HA GLN A 114 19.459 -2.033 -39.468 1.00 0.00 H new ATOM 0 HB2 GLN A 114 17.927 -3.816 -37.521 1.00 0.00 H new ATOM 0 HB3 GLN A 114 17.606 -3.816 -39.244 1.00 0.00 H new ATOM 0 HG2 GLN A 114 19.229 -5.588 -38.764 1.00 0.00 H new ATOM 0 HG3 GLN A 114 20.040 -4.330 -39.675 1.00 0.00 H new ATOM 0 HE21 GLN A 114 22.054 -4.006 -38.808 1.00 0.00 H new ATOM 0 HE22 GLN A 114 22.423 -4.004 -37.080 1.00 0.00 H new ATOM 597 N GLY A 115 17.432 -0.407 -37.681 1.00 0.00 N ATOM 598 CA GLY A 115 16.306 0.517 -37.673 1.00 0.00 C ATOM 599 C GLY A 115 15.059 -0.144 -37.096 1.00 0.00 C ATOM 600 O GLY A 115 13.985 0.460 -37.063 1.00 0.00 O ATOM 0 H GLY A 115 18.039 -0.344 -36.863 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.559 1.399 -37.085 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.104 0.858 -38.688 1.00 0.00 H new ATOM 604 N LEU A 116 15.205 -1.384 -36.646 1.00 0.00 N ATOM 605 CA LEU A 116 14.082 -2.116 -36.074 1.00 0.00 C ATOM 606 C LEU A 116 13.895 -1.746 -34.611 1.00 0.00 C ATOM 607 O LEU A 116 14.862 -1.670 -33.854 1.00 0.00 O ATOM 608 CB LEU A 116 14.326 -3.623 -36.200 1.00 0.00 C ATOM 609 CG LEU A 116 13.858 -4.109 -37.578 1.00 0.00 C ATOM 610 CD1 LEU A 116 12.329 -4.018 -37.681 1.00 0.00 C ATOM 611 CD2 LEU A 116 14.493 -3.233 -38.667 1.00 0.00 C ATOM 0 H LEU A 116 16.084 -1.901 -36.666 1.00 0.00 H new ATOM 0 HA LEU A 116 13.177 -1.849 -36.620 1.00 0.00 H new ATOM 0 HB2 LEU A 116 15.385 -3.842 -36.067 1.00 0.00 H new ATOM 0 HB3 LEU A 116 13.789 -4.155 -35.414 1.00 0.00 H new ATOM 0 HG LEU A 116 14.162 -5.147 -37.711 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.009 -4.366 -38.663 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.875 -4.641 -36.910 1.00 0.00 H new ATOM 0 HD13 LEU A 116 12.016 -2.983 -37.543 1.00 0.00 H new ATOM 0 HD21 LEU A 116 14.163 -3.575 -39.648 1.00 0.00 H new ATOM 0 HD22 LEU A 116 14.189 -2.196 -38.523 1.00 0.00 H new ATOM 0 HD23 LEU A 116 15.579 -3.305 -38.604 1.00 0.00 H new ATOM 623 N LYS A 117 12.647 -1.515 -34.220 1.00 0.00 N ATOM 624 CA LYS A 117 12.339 -1.149 -32.844 1.00 0.00 C ATOM 625 C LYS A 117 11.759 -2.341 -32.087 1.00 0.00 C ATOM 626 O LYS A 117 11.046 -3.164 -32.662 1.00 0.00 O ATOM 627 CB LYS A 117 11.340 0.008 -32.822 1.00 0.00 C ATOM 628 CG LYS A 117 11.042 0.398 -31.370 1.00 0.00 C ATOM 629 CD LYS A 117 9.631 -0.063 -30.997 1.00 0.00 C ATOM 630 CE LYS A 117 8.593 0.741 -31.789 1.00 0.00 C ATOM 631 NZ LYS A 117 7.604 1.333 -30.850 1.00 0.00 N ATOM 0 H LYS A 117 11.835 -1.575 -34.834 1.00 0.00 H new ATOM 0 HA LYS A 117 13.263 -0.840 -32.356 1.00 0.00 H new ATOM 0 HB2 LYS A 117 11.745 0.863 -33.364 1.00 0.00 H new ATOM 0 HB3 LYS A 117 10.419 -0.283 -33.328 1.00 0.00 H new ATOM 0 HG2 LYS A 117 11.773 -0.058 -30.702 1.00 0.00 H new ATOM 0 HG3 LYS A 117 11.128 1.478 -31.247 1.00 0.00 H new ATOM 0 HD2 LYS A 117 9.519 -1.126 -31.208 1.00 0.00 H new ATOM 0 HD3 LYS A 117 9.467 0.068 -29.927 1.00 0.00 H new ATOM 0 HE2 LYS A 117 9.085 1.528 -32.360 1.00 0.00 H new ATOM 0 HE3 LYS A 117 8.088 0.095 -32.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.802 1.718 -31.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 7.263 0.599 -30.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 8.055 2.097 -30.307 1.00 0.00 H new ATOM 645 N PHE A 118 12.064 -2.424 -30.795 1.00 0.00 N ATOM 646 CA PHE A 118 11.558 -3.510 -29.969 1.00 0.00 C ATOM 647 C PHE A 118 11.041 -2.974 -28.638 1.00 0.00 C ATOM 648 O PHE A 118 11.689 -2.140 -28.005 1.00 0.00 O ATOM 649 CB PHE A 118 12.670 -4.524 -29.717 1.00 0.00 C ATOM 650 CG PHE A 118 13.180 -5.044 -31.039 1.00 0.00 C ATOM 651 CD1 PHE A 118 12.375 -5.880 -31.820 1.00 0.00 C ATOM 652 CD2 PHE A 118 14.461 -4.688 -31.487 1.00 0.00 C ATOM 653 CE1 PHE A 118 12.846 -6.361 -33.046 1.00 0.00 C ATOM 654 CE2 PHE A 118 14.933 -5.171 -32.712 1.00 0.00 C ATOM 655 CZ PHE A 118 14.124 -6.006 -33.493 1.00 0.00 C ATOM 0 H PHE A 118 12.656 -1.755 -30.302 1.00 0.00 H new ATOM 0 HA PHE A 118 10.734 -3.994 -30.494 1.00 0.00 H new ATOM 0 HB2 PHE A 118 13.482 -4.059 -29.158 1.00 0.00 H new ATOM 0 HB3 PHE A 118 12.296 -5.348 -29.109 1.00 0.00 H new ATOM 0 HD1 PHE A 118 11.389 -6.154 -31.476 1.00 0.00 H new ATOM 0 HD2 PHE A 118 15.083 -4.041 -30.886 1.00 0.00 H new ATOM 0 HE1 PHE A 118 12.223 -7.006 -33.648 1.00 0.00 H new ATOM 0 HE2 PHE A 118 15.921 -4.900 -33.055 1.00 0.00 H new ATOM 0 HZ PHE A 118 14.486 -6.376 -34.441 1.00 0.00 H new ATOM 665 N ARG A 119 9.874 -3.461 -28.216 1.00 0.00 N ATOM 666 CA ARG A 119 9.279 -3.025 -26.955 1.00 0.00 C ATOM 667 C ARG A 119 9.137 -4.203 -25.997 1.00 0.00 C ATOM 668 O ARG A 119 8.702 -4.041 -24.857 1.00 0.00 O ATOM 669 CB ARG A 119 7.906 -2.408 -27.220 1.00 0.00 C ATOM 670 CG ARG A 119 6.849 -3.510 -27.272 1.00 0.00 C ATOM 671 CD ARG A 119 5.633 -3.009 -28.042 1.00 0.00 C ATOM 672 NE ARG A 119 4.461 -3.829 -27.727 1.00 0.00 N ATOM 673 CZ ARG A 119 3.496 -3.396 -26.915 1.00 0.00 C ATOM 674 NH1 ARG A 119 3.566 -2.211 -26.378 1.00 0.00 N ATOM 675 NH2 ARG A 119 2.472 -4.163 -26.662 1.00 0.00 N ATOM 0 H ARG A 119 9.326 -4.153 -28.726 1.00 0.00 H new ATOM 0 HA ARG A 119 9.931 -2.280 -26.499 1.00 0.00 H new ATOM 0 HB2 ARG A 119 7.661 -1.692 -26.436 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.919 -1.858 -28.161 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.257 -4.398 -27.754 1.00 0.00 H new ATOM 0 HG3 ARG A 119 6.560 -3.800 -26.262 1.00 0.00 H new ATOM 0 HD2 ARG A 119 5.436 -1.968 -27.787 1.00 0.00 H new ATOM 0 HD3 ARG A 119 5.832 -3.043 -29.113 1.00 0.00 H new ATOM 0 HE ARG A 119 4.381 -4.758 -28.141 1.00 0.00 H new ATOM 0 HH11 ARG A 119 4.363 -1.607 -26.578 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.824 -1.887 -25.758 1.00 0.00 H new ATOM 0 HH21 ARG A 119 2.412 -5.089 -27.085 1.00 0.00 H new ATOM 0 HH22 ARG A 119 1.731 -3.836 -26.042 1.00 0.00 H new ATOM 689 N SER A 120 9.507 -5.392 -26.467 1.00 0.00 N ATOM 690 CA SER A 120 9.417 -6.588 -25.639 1.00 0.00 C ATOM 691 C SER A 120 10.577 -7.532 -25.936 1.00 0.00 C ATOM 692 O SER A 120 11.153 -7.504 -27.022 1.00 0.00 O ATOM 693 CB SER A 120 8.093 -7.308 -25.909 1.00 0.00 C ATOM 694 OG SER A 120 8.056 -7.731 -27.266 1.00 0.00 O ATOM 0 H SER A 120 9.868 -5.551 -27.408 1.00 0.00 H new ATOM 0 HA SER A 120 9.464 -6.288 -24.592 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.991 -8.167 -25.246 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.255 -6.643 -25.700 1.00 0.00 H new ATOM 0 HG SER A 120 7.210 -8.194 -27.441 1.00 0.00 H new ATOM 700 N LYS A 121 10.915 -8.366 -24.959 1.00 0.00 N ATOM 701 CA LYS A 121 12.006 -9.317 -25.128 1.00 0.00 C ATOM 702 C LYS A 121 11.671 -10.347 -26.199 1.00 0.00 C ATOM 703 O LYS A 121 12.534 -10.738 -26.985 1.00 0.00 O ATOM 704 CB LYS A 121 12.285 -10.034 -23.809 1.00 0.00 C ATOM 705 CG LYS A 121 12.916 -9.054 -22.809 1.00 0.00 C ATOM 706 CD LYS A 121 13.394 -9.806 -21.564 1.00 0.00 C ATOM 707 CE LYS A 121 12.194 -10.261 -20.729 1.00 0.00 C ATOM 708 NZ LYS A 121 12.671 -10.783 -19.423 1.00 0.00 N ATOM 0 H LYS A 121 10.454 -8.403 -24.050 1.00 0.00 H new ATOM 0 HA LYS A 121 12.891 -8.762 -25.439 1.00 0.00 H new ATOM 0 HB2 LYS A 121 11.359 -10.438 -23.401 1.00 0.00 H new ATOM 0 HB3 LYS A 121 12.954 -10.878 -23.977 1.00 0.00 H new ATOM 0 HG2 LYS A 121 13.755 -8.537 -23.275 1.00 0.00 H new ATOM 0 HG3 LYS A 121 12.189 -8.293 -22.526 1.00 0.00 H new ATOM 0 HD2 LYS A 121 13.990 -10.670 -21.858 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.039 -9.162 -20.966 1.00 0.00 H new ATOM 0 HE2 LYS A 121 11.509 -9.427 -20.572 1.00 0.00 H new ATOM 0 HE3 LYS A 121 11.639 -11.034 -21.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 11.857 -11.093 -18.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 13.308 -11.589 -19.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 13.183 -10.033 -18.915 1.00 0.00 H new ATOM 722 N SER A 122 10.419 -10.796 -26.214 1.00 0.00 N ATOM 723 CA SER A 122 9.997 -11.793 -27.189 1.00 0.00 C ATOM 724 C SER A 122 10.200 -11.269 -28.605 1.00 0.00 C ATOM 725 O SER A 122 10.790 -11.949 -29.447 1.00 0.00 O ATOM 726 CB SER A 122 8.521 -12.128 -26.974 1.00 0.00 C ATOM 727 OG SER A 122 8.102 -13.068 -27.952 1.00 0.00 O ATOM 0 H SER A 122 9.689 -10.490 -25.571 1.00 0.00 H new ATOM 0 HA SER A 122 10.600 -12.692 -27.056 1.00 0.00 H new ATOM 0 HB2 SER A 122 8.371 -12.536 -25.974 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.918 -11.223 -27.042 1.00 0.00 H new ATOM 0 HG SER A 122 7.156 -13.284 -27.814 1.00 0.00 H new ATOM 733 N SER A 123 9.701 -10.067 -28.868 1.00 0.00 N ATOM 734 CA SER A 123 9.829 -9.484 -30.196 1.00 0.00 C ATOM 735 C SER A 123 11.278 -9.553 -30.660 1.00 0.00 C ATOM 736 O SER A 123 11.555 -9.865 -31.817 1.00 0.00 O ATOM 737 CB SER A 123 9.380 -8.022 -30.157 1.00 0.00 C ATOM 738 OG SER A 123 10.205 -7.306 -29.244 1.00 0.00 O ATOM 0 H SER A 123 9.211 -9.485 -28.189 1.00 0.00 H new ATOM 0 HA SER A 123 9.203 -10.044 -30.891 1.00 0.00 H new ATOM 0 HB2 SER A 123 9.449 -7.581 -31.151 1.00 0.00 H new ATOM 0 HB3 SER A 123 8.336 -7.957 -29.851 1.00 0.00 H new ATOM 0 HG SER A 123 10.048 -7.635 -28.334 1.00 0.00 H new ATOM 744 N LEU A 124 12.201 -9.282 -29.744 1.00 0.00 N ATOM 745 CA LEU A 124 13.616 -9.335 -30.078 1.00 0.00 C ATOM 746 C LEU A 124 14.034 -10.772 -30.390 1.00 0.00 C ATOM 747 O LEU A 124 14.770 -11.021 -31.340 1.00 0.00 O ATOM 748 CB LEU A 124 14.448 -8.806 -28.904 1.00 0.00 C ATOM 749 CG LEU A 124 15.911 -8.648 -29.329 1.00 0.00 C ATOM 750 CD1 LEU A 124 16.111 -7.299 -30.023 1.00 0.00 C ATOM 751 CD2 LEU A 124 16.810 -8.724 -28.101 1.00 0.00 C ATOM 0 H LEU A 124 11.997 -9.027 -28.778 1.00 0.00 H new ATOM 0 HA LEU A 124 13.790 -8.714 -30.957 1.00 0.00 H new ATOM 0 HB2 LEU A 124 14.052 -7.847 -28.570 1.00 0.00 H new ATOM 0 HB3 LEU A 124 14.378 -9.492 -28.060 1.00 0.00 H new ATOM 0 HG LEU A 124 16.169 -9.449 -30.022 1.00 0.00 H new ATOM 0 HD11 LEU A 124 17.154 -7.195 -30.322 1.00 0.00 H new ATOM 0 HD12 LEU A 124 15.473 -7.246 -30.906 1.00 0.00 H new ATOM 0 HD13 LEU A 124 15.848 -6.494 -29.337 1.00 0.00 H new ATOM 0 HD21 LEU A 124 17.851 -8.611 -28.405 1.00 0.00 H new ATOM 0 HD22 LEU A 124 16.546 -7.926 -27.407 1.00 0.00 H new ATOM 0 HD23 LEU A 124 16.677 -9.689 -27.612 1.00 0.00 H new ATOM 763 N ALA A 125 13.557 -11.710 -29.584 1.00 0.00 N ATOM 764 CA ALA A 125 13.895 -13.116 -29.782 1.00 0.00 C ATOM 765 C ALA A 125 13.437 -13.580 -31.158 1.00 0.00 C ATOM 766 O ALA A 125 14.060 -14.445 -31.774 1.00 0.00 O ATOM 767 CB ALA A 125 13.232 -13.970 -28.698 1.00 0.00 C ATOM 0 H ALA A 125 12.940 -11.527 -28.793 1.00 0.00 H new ATOM 0 HA ALA A 125 14.977 -13.229 -29.715 1.00 0.00 H new ATOM 0 HB1 ALA A 125 13.489 -15.018 -28.853 1.00 0.00 H new ATOM 0 HB2 ALA A 125 13.584 -13.651 -27.717 1.00 0.00 H new ATOM 0 HB3 ALA A 125 12.150 -13.850 -28.751 1.00 0.00 H new ATOM 773 N ASN A 126 12.344 -12.995 -31.637 1.00 0.00 N ATOM 774 CA ASN A 126 11.813 -13.347 -32.947 1.00 0.00 C ATOM 775 C ASN A 126 12.670 -12.745 -34.059 1.00 0.00 C ATOM 776 O ASN A 126 12.907 -13.378 -35.083 1.00 0.00 O ATOM 777 CB ASN A 126 10.372 -12.853 -33.078 1.00 0.00 C ATOM 778 CG ASN A 126 9.501 -13.519 -32.018 1.00 0.00 C ATOM 779 OD1 ASN A 126 8.840 -12.834 -31.238 1.00 0.00 O ATOM 780 ND2 ASN A 126 9.468 -14.822 -31.934 1.00 0.00 N ATOM 0 H ASN A 126 11.812 -12.280 -31.141 1.00 0.00 H new ATOM 0 HA ASN A 126 11.832 -14.433 -33.044 1.00 0.00 H new ATOM 0 HB2 ASN A 126 10.337 -11.770 -32.963 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.989 -13.080 -34.073 1.00 0.00 H new ATOM 0 HD21 ASN A 126 8.894 -15.273 -31.221 1.00 0.00 H new ATOM 0 HD22 ASN A 126 10.016 -15.389 -32.581 1.00 0.00 H new ATOM 787 N TYR A 127 13.122 -11.513 -33.847 1.00 0.00 N ATOM 788 CA TYR A 127 13.945 -10.830 -34.835 1.00 0.00 C ATOM 789 C TYR A 127 15.255 -11.568 -35.051 1.00 0.00 C ATOM 790 O TYR A 127 15.669 -11.811 -36.186 1.00 0.00 O ATOM 791 CB TYR A 127 14.216 -9.392 -34.394 1.00 0.00 C ATOM 792 CG TYR A 127 15.427 -8.857 -35.122 1.00 0.00 C ATOM 793 CD1 TYR A 127 15.525 -8.978 -36.516 1.00 0.00 C ATOM 794 CD2 TYR A 127 16.457 -8.242 -34.399 1.00 0.00 C ATOM 795 CE1 TYR A 127 16.653 -8.488 -37.181 1.00 0.00 C ATOM 796 CE2 TYR A 127 17.583 -7.752 -35.067 1.00 0.00 C ATOM 797 CZ TYR A 127 17.682 -7.876 -36.458 1.00 0.00 C ATOM 798 OH TYR A 127 18.794 -7.394 -37.116 1.00 0.00 O ATOM 0 H TYR A 127 12.933 -10.971 -33.004 1.00 0.00 H new ATOM 0 HA TYR A 127 13.402 -10.814 -35.780 1.00 0.00 H new ATOM 0 HB2 TYR A 127 13.348 -8.767 -34.604 1.00 0.00 H new ATOM 0 HB3 TYR A 127 14.382 -9.356 -33.317 1.00 0.00 H new ATOM 0 HD1 TYR A 127 14.730 -9.449 -37.075 1.00 0.00 H new ATOM 0 HD2 TYR A 127 16.381 -8.146 -33.326 1.00 0.00 H new ATOM 0 HE1 TYR A 127 16.730 -8.582 -38.254 1.00 0.00 H new ATOM 0 HE2 TYR A 127 18.377 -7.277 -34.510 1.00 0.00 H new ATOM 0 HH TYR A 127 19.049 -6.527 -36.736 1.00 0.00 H new ATOM 808 N LEU A 128 15.909 -11.911 -33.952 1.00 0.00 N ATOM 809 CA LEU A 128 17.180 -12.613 -34.024 1.00 0.00 C ATOM 810 C LEU A 128 17.004 -13.992 -34.643 1.00 0.00 C ATOM 811 O LEU A 128 17.797 -14.411 -35.487 1.00 0.00 O ATOM 812 CB LEU A 128 17.781 -12.753 -32.619 1.00 0.00 C ATOM 813 CG LEU A 128 18.703 -11.567 -32.323 1.00 0.00 C ATOM 814 CD1 LEU A 128 17.890 -10.284 -32.175 1.00 0.00 C ATOM 815 CD2 LEU A 128 19.479 -11.832 -31.030 1.00 0.00 C ATOM 0 H LEU A 128 15.583 -11.716 -33.005 1.00 0.00 H new ATOM 0 HA LEU A 128 17.855 -12.033 -34.654 1.00 0.00 H new ATOM 0 HB2 LEU A 128 16.984 -12.799 -31.877 1.00 0.00 H new ATOM 0 HB3 LEU A 128 18.340 -13.686 -32.545 1.00 0.00 H new ATOM 0 HG LEU A 128 19.400 -11.448 -33.153 1.00 0.00 H new ATOM 0 HD11 LEU A 128 18.560 -9.451 -31.965 1.00 0.00 H new ATOM 0 HD12 LEU A 128 17.347 -10.089 -33.100 1.00 0.00 H new ATOM 0 HD13 LEU A 128 17.181 -10.395 -31.355 1.00 0.00 H new ATOM 0 HD21 LEU A 128 20.135 -10.987 -30.820 1.00 0.00 H new ATOM 0 HD22 LEU A 128 18.778 -11.961 -30.205 1.00 0.00 H new ATOM 0 HD23 LEU A 128 20.077 -12.736 -31.143 1.00 0.00 H new ATOM 827 N HIS A 129 15.959 -14.685 -34.223 1.00 0.00 N ATOM 828 CA HIS A 129 15.671 -16.015 -34.743 1.00 0.00 C ATOM 829 C HIS A 129 15.292 -15.945 -36.219 1.00 0.00 C ATOM 830 O HIS A 129 15.550 -16.876 -36.982 1.00 0.00 O ATOM 831 CB HIS A 129 14.534 -16.659 -33.952 1.00 0.00 C ATOM 832 CG HIS A 129 14.338 -18.076 -34.424 1.00 0.00 C ATOM 833 ND1 HIS A 129 15.253 -19.080 -34.149 1.00 0.00 N ATOM 834 CD2 HIS A 129 13.336 -18.671 -35.152 1.00 0.00 C ATOM 835 CE1 HIS A 129 14.788 -20.216 -34.700 1.00 0.00 C ATOM 836 NE2 HIS A 129 13.624 -20.022 -35.324 1.00 0.00 N ATOM 0 H HIS A 129 15.295 -14.351 -33.524 1.00 0.00 H new ATOM 0 HA HIS A 129 16.570 -16.622 -34.638 1.00 0.00 H new ATOM 0 HB2 HIS A 129 14.765 -16.647 -32.887 1.00 0.00 H new ATOM 0 HB3 HIS A 129 13.615 -16.089 -34.085 1.00 0.00 H new ATOM 0 HD2 HIS A 129 12.459 -18.168 -35.532 1.00 0.00 H new ATOM 0 HE1 HIS A 129 15.294 -21.168 -34.644 1.00 0.00 H new ATOM 0 HE2 HIS A 129 13.065 -20.716 -35.821 1.00 0.00 H new ATOM 845 N LYS A 130 14.665 -14.843 -36.610 1.00 0.00 N ATOM 846 CA LYS A 130 14.236 -14.671 -37.991 1.00 0.00 C ATOM 847 C LYS A 130 15.431 -14.758 -38.937 1.00 0.00 C ATOM 848 O LYS A 130 15.362 -15.421 -39.971 1.00 0.00 O ATOM 849 CB LYS A 130 13.562 -13.308 -38.157 1.00 0.00 C ATOM 850 CG LYS A 130 12.946 -13.201 -39.558 1.00 0.00 C ATOM 851 CD LYS A 130 13.368 -11.886 -40.220 1.00 0.00 C ATOM 852 CE LYS A 130 12.709 -10.711 -39.494 1.00 0.00 C ATOM 853 NZ LYS A 130 13.668 -9.574 -39.423 1.00 0.00 N ATOM 0 H LYS A 130 14.444 -14.060 -35.995 1.00 0.00 H new ATOM 0 HA LYS A 130 13.530 -15.465 -38.235 1.00 0.00 H new ATOM 0 HB2 LYS A 130 12.789 -13.179 -37.399 1.00 0.00 H new ATOM 0 HB3 LYS A 130 14.291 -12.511 -38.008 1.00 0.00 H new ATOM 0 HG2 LYS A 130 13.266 -14.044 -40.170 1.00 0.00 H new ATOM 0 HG3 LYS A 130 11.859 -13.251 -39.491 1.00 0.00 H new ATOM 0 HD2 LYS A 130 14.453 -11.783 -40.189 1.00 0.00 H new ATOM 0 HD3 LYS A 130 13.078 -11.886 -41.271 1.00 0.00 H new ATOM 0 HE2 LYS A 130 11.804 -10.406 -40.019 1.00 0.00 H new ATOM 0 HE3 LYS A 130 12.409 -11.011 -38.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 13.276 -8.827 -38.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 14.570 -9.905 -39.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 13.828 -9.195 -40.378 1.00 0.00 H new ATOM 867 N ASN A 131 16.521 -14.087 -38.581 1.00 0.00 N ATOM 868 CA ASN A 131 17.717 -14.107 -39.417 1.00 0.00 C ATOM 869 C ASN A 131 18.633 -15.259 -39.012 1.00 0.00 C ATOM 870 O ASN A 131 19.552 -15.621 -39.746 1.00 0.00 O ATOM 871 CB ASN A 131 18.469 -12.784 -39.273 1.00 0.00 C ATOM 872 CG ASN A 131 17.673 -11.656 -39.920 1.00 0.00 C ATOM 873 OD1 ASN A 131 16.820 -11.908 -40.772 1.00 0.00 O ATOM 874 ND2 ASN A 131 17.901 -10.422 -39.566 1.00 0.00 N ATOM 0 H ASN A 131 16.602 -13.529 -37.731 1.00 0.00 H new ATOM 0 HA ASN A 131 17.414 -14.246 -40.455 1.00 0.00 H new ATOM 0 HB2 ASN A 131 18.635 -12.564 -38.218 1.00 0.00 H new ATOM 0 HB3 ASN A 131 19.450 -12.862 -39.741 1.00 0.00 H new ATOM 0 HD21 ASN A 131 17.372 -9.662 -39.995 1.00 0.00 H new ATOM 0 HD22 ASN A 131 18.608 -10.216 -38.860 1.00 0.00 H new ATOM 881 N GLY A 132 18.372 -15.833 -37.842 1.00 0.00 N ATOM 882 CA GLY A 132 19.179 -16.947 -37.354 1.00 0.00 C ATOM 883 C GLY A 132 20.479 -16.446 -36.731 1.00 0.00 C ATOM 884 O GLY A 132 21.323 -17.238 -36.312 1.00 0.00 O ATOM 0 H GLY A 132 17.616 -15.549 -37.219 1.00 0.00 H new ATOM 0 HA2 GLY A 132 18.613 -17.516 -36.616 1.00 0.00 H new ATOM 0 HA3 GLY A 132 19.403 -17.626 -38.176 1.00 0.00 H new ATOM 888 N GLU A 133 20.633 -15.129 -36.683 1.00 0.00 N ATOM 889 CA GLU A 133 21.835 -14.527 -36.115 1.00 0.00 C ATOM 890 C GLU A 133 21.814 -14.614 -34.596 1.00 0.00 C ATOM 891 O GLU A 133 22.497 -13.848 -33.918 1.00 0.00 O ATOM 892 CB GLU A 133 21.942 -13.063 -36.542 1.00 0.00 C ATOM 893 CG GLU A 133 20.779 -12.269 -35.945 1.00 0.00 C ATOM 894 CD GLU A 133 20.724 -10.878 -36.568 1.00 0.00 C ATOM 895 OE1 GLU A 133 20.378 -10.786 -37.734 1.00 0.00 O ATOM 896 OE2 GLU A 133 21.031 -9.925 -35.871 1.00 0.00 O ATOM 0 H GLU A 133 19.945 -14.459 -37.028 1.00 0.00 H new ATOM 0 HA GLU A 133 22.700 -15.077 -36.487 1.00 0.00 H new ATOM 0 HB2 GLU A 133 22.891 -12.644 -36.207 1.00 0.00 H new ATOM 0 HB3 GLU A 133 21.926 -12.989 -37.629 1.00 0.00 H new ATOM 0 HG2 GLU A 133 19.840 -12.794 -36.123 1.00 0.00 H new ATOM 0 HG3 GLU A 133 20.899 -12.188 -34.865 1.00 0.00 H new ATOM 903 N THR A 134 21.020 -15.544 -34.071 1.00 0.00 N ATOM 904 CA THR A 134 20.909 -15.720 -32.624 1.00 0.00 C ATOM 905 C THR A 134 22.266 -15.541 -31.954 1.00 0.00 C ATOM 906 O THR A 134 23.026 -16.499 -31.805 1.00 0.00 O ATOM 907 CB THR A 134 20.367 -17.115 -32.308 1.00 0.00 C ATOM 908 OG1 THR A 134 21.335 -18.091 -32.669 1.00 0.00 O ATOM 909 CG2 THR A 134 19.079 -17.358 -33.095 1.00 0.00 C ATOM 0 H THR A 134 20.447 -16.184 -34.621 1.00 0.00 H new ATOM 0 HA THR A 134 20.224 -14.965 -32.239 1.00 0.00 H new ATOM 0 HB THR A 134 20.156 -17.188 -31.241 1.00 0.00 H new ATOM 0 HG1 THR A 134 22.231 -17.762 -32.446 1.00 0.00 H new ATOM 0 HG21 THR A 134 18.696 -18.353 -32.867 1.00 0.00 H new ATOM 0 HG22 THR A 134 18.336 -16.610 -32.817 1.00 0.00 H new ATOM 0 HG23 THR A 134 19.286 -17.284 -34.163 1.00 0.00 H new ATOM 917 N SER A 135 22.560 -14.307 -31.550 1.00 0.00 N ATOM 918 CA SER A 135 23.826 -14.005 -30.892 1.00 0.00 C ATOM 919 C SER A 135 23.579 -13.218 -29.610 1.00 0.00 C ATOM 920 O SER A 135 23.858 -13.700 -28.513 1.00 0.00 O ATOM 921 CB SER A 135 24.726 -13.199 -31.831 1.00 0.00 C ATOM 922 OG SER A 135 25.944 -12.895 -31.165 1.00 0.00 O ATOM 0 H SER A 135 21.941 -13.505 -31.667 1.00 0.00 H new ATOM 0 HA SER A 135 24.322 -14.943 -30.641 1.00 0.00 H new ATOM 0 HB2 SER A 135 24.926 -13.768 -32.739 1.00 0.00 H new ATOM 0 HB3 SER A 135 24.225 -12.280 -32.135 1.00 0.00 H new ATOM 0 HG SER A 135 26.524 -12.380 -31.764 1.00 0.00 H new ATOM 928 N LEU A 136 23.056 -12.006 -29.758 1.00 0.00 N ATOM 929 CA LEU A 136 22.780 -11.162 -28.603 1.00 0.00 C ATOM 930 C LEU A 136 21.570 -11.673 -27.846 1.00 0.00 C ATOM 931 O LEU A 136 20.619 -12.174 -28.447 1.00 0.00 O ATOM 932 CB LEU A 136 22.534 -9.718 -29.056 1.00 0.00 C ATOM 933 CG LEU A 136 23.850 -8.933 -29.023 1.00 0.00 C ATOM 934 CD1 LEU A 136 24.326 -8.764 -27.575 1.00 0.00 C ATOM 935 CD2 LEU A 136 24.914 -9.691 -29.825 1.00 0.00 C ATOM 0 H LEU A 136 22.817 -11.589 -30.658 1.00 0.00 H new ATOM 0 HA LEU A 136 23.645 -11.191 -27.941 1.00 0.00 H new ATOM 0 HB2 LEU A 136 22.120 -9.709 -30.064 1.00 0.00 H new ATOM 0 HB3 LEU A 136 21.800 -9.243 -28.405 1.00 0.00 H new ATOM 0 HG LEU A 136 23.690 -7.948 -29.462 1.00 0.00 H new ATOM 0 HD11 LEU A 136 25.262 -8.205 -27.562 1.00 0.00 H new ATOM 0 HD12 LEU A 136 23.572 -8.222 -27.005 1.00 0.00 H new ATOM 0 HD13 LEU A 136 24.483 -9.745 -27.127 1.00 0.00 H new ATOM 0 HD21 LEU A 136 25.851 -9.135 -29.803 1.00 0.00 H new ATOM 0 HD22 LEU A 136 25.067 -10.677 -29.386 1.00 0.00 H new ATOM 0 HD23 LEU A 136 24.582 -9.801 -30.857 1.00 0.00 H new ATOM 947 N LYS A 137 21.613 -11.550 -26.521 1.00 0.00 N ATOM 948 CA LYS A 137 20.511 -12.019 -25.704 1.00 0.00 C ATOM 949 C LYS A 137 19.570 -10.866 -25.346 1.00 0.00 C ATOM 950 O LYS A 137 20.005 -9.725 -25.192 1.00 0.00 O ATOM 951 CB LYS A 137 21.044 -12.654 -24.415 1.00 0.00 C ATOM 952 CG LYS A 137 21.860 -13.895 -24.764 1.00 0.00 C ATOM 953 CD LYS A 137 22.393 -14.532 -23.481 1.00 0.00 C ATOM 954 CE LYS A 137 23.260 -15.742 -23.835 1.00 0.00 C ATOM 955 NZ LYS A 137 22.425 -16.772 -24.514 1.00 0.00 N ATOM 0 H LYS A 137 22.388 -11.136 -26.003 1.00 0.00 H new ATOM 0 HA LYS A 137 19.958 -12.762 -26.278 1.00 0.00 H new ATOM 0 HB2 LYS A 137 21.662 -11.939 -23.872 1.00 0.00 H new ATOM 0 HB3 LYS A 137 20.216 -12.922 -23.759 1.00 0.00 H new ATOM 0 HG2 LYS A 137 21.241 -14.609 -25.307 1.00 0.00 H new ATOM 0 HG3 LYS A 137 22.688 -13.626 -25.420 1.00 0.00 H new ATOM 0 HD2 LYS A 137 22.977 -13.805 -22.917 1.00 0.00 H new ATOM 0 HD3 LYS A 137 21.564 -14.839 -22.843 1.00 0.00 H new ATOM 0 HE2 LYS A 137 24.080 -15.437 -24.485 1.00 0.00 H new ATOM 0 HE3 LYS A 137 23.707 -16.159 -22.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 22.904 -17.694 -24.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 21.501 -16.837 -24.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 22.286 -16.505 -25.509 1.00 0.00 H new ATOM 969 N PRO A 138 18.297 -11.142 -25.200 1.00 0.00 N ATOM 970 CA PRO A 138 17.285 -10.105 -24.842 1.00 0.00 C ATOM 971 C PRO A 138 17.484 -9.555 -23.434 1.00 0.00 C ATOM 972 O PRO A 138 17.019 -8.462 -23.112 1.00 0.00 O ATOM 973 CB PRO A 138 15.946 -10.841 -24.969 1.00 0.00 C ATOM 974 CG PRO A 138 16.276 -12.286 -24.812 1.00 0.00 C ATOM 975 CD PRO A 138 17.674 -12.466 -25.370 1.00 0.00 C ATOM 0 HA PRO A 138 17.355 -9.230 -25.488 1.00 0.00 H new ATOM 0 HB2 PRO A 138 15.242 -10.513 -24.204 1.00 0.00 H new ATOM 0 HB3 PRO A 138 15.480 -10.646 -25.935 1.00 0.00 H new ATOM 0 HG2 PRO A 138 16.234 -12.583 -23.764 1.00 0.00 H new ATOM 0 HG3 PRO A 138 15.560 -12.909 -25.348 1.00 0.00 H new ATOM 0 HD2 PRO A 138 18.223 -13.238 -24.831 1.00 0.00 H new ATOM 0 HD3 PRO A 138 17.650 -12.765 -26.418 1.00 0.00 H new ATOM 983 N GLU A 139 18.180 -10.318 -22.608 1.00 0.00 N ATOM 984 CA GLU A 139 18.447 -9.908 -21.237 1.00 0.00 C ATOM 985 C GLU A 139 19.596 -8.908 -21.192 1.00 0.00 C ATOM 986 O GLU A 139 19.962 -8.414 -20.125 1.00 0.00 O ATOM 987 CB GLU A 139 18.789 -11.126 -20.378 1.00 0.00 C ATOM 988 CG GLU A 139 17.537 -11.985 -20.188 1.00 0.00 C ATOM 989 CD GLU A 139 17.905 -13.299 -19.509 1.00 0.00 C ATOM 990 OE1 GLU A 139 19.081 -13.625 -19.490 1.00 0.00 O ATOM 991 OE2 GLU A 139 17.007 -13.960 -19.015 1.00 0.00 O ATOM 0 H GLU A 139 18.571 -11.225 -22.862 1.00 0.00 H new ATOM 0 HA GLU A 139 17.550 -9.432 -20.841 1.00 0.00 H new ATOM 0 HB2 GLU A 139 19.575 -11.711 -20.855 1.00 0.00 H new ATOM 0 HB3 GLU A 139 19.173 -10.805 -19.410 1.00 0.00 H new ATOM 0 HG2 GLU A 139 16.805 -11.447 -19.585 1.00 0.00 H new ATOM 0 HG3 GLU A 139 17.072 -12.183 -21.154 1.00 0.00 H new ATOM 998 N ASP A 140 20.166 -8.617 -22.357 1.00 0.00 N ATOM 999 CA ASP A 140 21.274 -7.672 -22.437 1.00 0.00 C ATOM 1000 C ASP A 140 20.762 -6.234 -22.419 1.00 0.00 C ATOM 1001 O ASP A 140 21.437 -5.334 -21.918 1.00 0.00 O ATOM 1002 CB ASP A 140 22.074 -7.915 -23.717 1.00 0.00 C ATOM 1003 CG ASP A 140 22.809 -9.246 -23.628 1.00 0.00 C ATOM 1004 OD1 ASP A 140 22.909 -9.773 -22.532 1.00 0.00 O ATOM 1005 OD2 ASP A 140 23.257 -9.724 -24.656 1.00 0.00 O ATOM 0 H ASP A 140 19.882 -9.018 -23.251 1.00 0.00 H new ATOM 0 HA ASP A 140 21.917 -7.824 -21.570 1.00 0.00 H new ATOM 0 HB2 ASP A 140 21.406 -7.916 -24.578 1.00 0.00 H new ATOM 0 HB3 ASP A 140 22.788 -7.105 -23.868 1.00 0.00 H new ATOM 1010 N PHE A 141 19.573 -6.022 -22.977 1.00 0.00 N ATOM 1011 CA PHE A 141 18.996 -4.683 -23.018 1.00 0.00 C ATOM 1012 C PHE A 141 17.934 -4.530 -21.930 1.00 0.00 C ATOM 1013 O PHE A 141 16.960 -5.283 -21.892 1.00 0.00 O ATOM 1014 CB PHE A 141 18.366 -4.425 -24.390 1.00 0.00 C ATOM 1015 CG PHE A 141 16.995 -5.060 -24.446 1.00 0.00 C ATOM 1016 CD1 PHE A 141 16.849 -6.405 -24.799 1.00 0.00 C ATOM 1017 CD2 PHE A 141 15.866 -4.294 -24.135 1.00 0.00 C ATOM 1018 CE1 PHE A 141 15.570 -6.979 -24.842 1.00 0.00 C ATOM 1019 CE2 PHE A 141 14.591 -4.866 -24.180 1.00 0.00 C ATOM 1020 CZ PHE A 141 14.443 -6.208 -24.532 1.00 0.00 C ATOM 0 H PHE A 141 18.998 -6.749 -23.401 1.00 0.00 H new ATOM 0 HA PHE A 141 19.790 -3.957 -22.844 1.00 0.00 H new ATOM 0 HB2 PHE A 141 18.289 -3.353 -24.570 1.00 0.00 H new ATOM 0 HB3 PHE A 141 19.000 -4.835 -25.176 1.00 0.00 H new ATOM 0 HD1 PHE A 141 17.718 -7.000 -25.038 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.980 -3.256 -23.859 1.00 0.00 H new ATOM 0 HE1 PHE A 141 15.454 -8.018 -25.115 1.00 0.00 H new ATOM 0 HE2 PHE A 141 13.722 -4.270 -23.943 1.00 0.00 H new ATOM 0 HZ PHE A 141 13.459 -6.652 -24.565 1.00 0.00 H new ATOM 1030 N ASP A 142 18.130 -3.557 -21.048 1.00 0.00 N ATOM 1031 CA ASP A 142 17.177 -3.317 -19.968 1.00 0.00 C ATOM 1032 C ASP A 142 16.625 -1.898 -20.054 1.00 0.00 C ATOM 1033 O ASP A 142 17.386 -0.932 -20.101 1.00 0.00 O ATOM 1034 CB ASP A 142 17.860 -3.525 -18.618 1.00 0.00 C ATOM 1035 CG ASP A 142 18.275 -4.986 -18.466 1.00 0.00 C ATOM 1036 OD1 ASP A 142 17.735 -5.814 -19.181 1.00 0.00 O ATOM 1037 OD2 ASP A 142 19.130 -5.253 -17.637 1.00 0.00 O ATOM 0 H ASP A 142 18.932 -2.926 -21.057 1.00 0.00 H new ATOM 0 HA ASP A 142 16.351 -4.022 -20.066 1.00 0.00 H new ATOM 0 HB2 ASP A 142 18.735 -2.879 -18.540 1.00 0.00 H new ATOM 0 HB3 ASP A 142 17.183 -3.244 -17.811 1.00 0.00 H new ATOM 1042 N PHE A 143 15.302 -1.777 -20.072 1.00 0.00 N ATOM 1043 CA PHE A 143 14.665 -0.466 -20.150 1.00 0.00 C ATOM 1044 C PHE A 143 14.643 0.197 -18.778 1.00 0.00 C ATOM 1045 O PHE A 143 14.181 -0.390 -17.801 1.00 0.00 O ATOM 1046 CB PHE A 143 13.236 -0.613 -20.674 1.00 0.00 C ATOM 1047 CG PHE A 143 12.327 -1.037 -19.544 1.00 0.00 C ATOM 1048 CD1 PHE A 143 12.262 -2.381 -19.163 1.00 0.00 C ATOM 1049 CD2 PHE A 143 11.552 -0.083 -18.876 1.00 0.00 C ATOM 1050 CE1 PHE A 143 11.422 -2.772 -18.114 1.00 0.00 C ATOM 1051 CE2 PHE A 143 10.711 -0.471 -17.828 1.00 0.00 C ATOM 1052 CZ PHE A 143 10.646 -1.817 -17.446 1.00 0.00 C ATOM 0 H PHE A 143 14.654 -2.563 -20.034 1.00 0.00 H new ATOM 0 HA PHE A 143 15.239 0.160 -20.834 1.00 0.00 H new ATOM 0 HB2 PHE A 143 12.893 0.332 -21.096 1.00 0.00 H new ATOM 0 HB3 PHE A 143 13.205 -1.350 -21.476 1.00 0.00 H new ATOM 0 HD1 PHE A 143 12.860 -3.118 -19.679 1.00 0.00 H new ATOM 0 HD2 PHE A 143 11.603 0.955 -19.170 1.00 0.00 H new ATOM 0 HE1 PHE A 143 11.372 -3.810 -17.820 1.00 0.00 H new ATOM 0 HE2 PHE A 143 10.112 0.266 -17.314 1.00 0.00 H new ATOM 0 HZ PHE A 143 9.998 -2.118 -16.637 1.00 0.00 H new