USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=11 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= 0.182 USER MOD Set 1.2: A 114 GLN : amide:sc= -5.89! C(o=-16!,f=-11!) USER MOD Set 1.3: A 127 TYR OH : rot 180:sc= -1.8 USER MOD Set 1.4: A 131 ASN : amide:sc= -8.38! C(o=-16!,f=-5.1!) USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 101 LYS NZ :NH3+ 163:sc= -0.0132 (180deg=-0.262) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= -0.0235 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot -40:sc= 0.3 USER MOD Single : A 126 ASN : amide:sc= -1.68! C(o=-1.7!,f=-4.4!) 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 25.291 -0.348 -24.419 1.00 0.00 N ATOM 135 CA PRO A 87 26.208 -1.079 -25.341 1.00 0.00 C ATOM 136 C PRO A 87 26.222 -0.474 -26.743 1.00 0.00 C ATOM 137 O PRO A 87 25.215 0.056 -27.212 1.00 0.00 O ATOM 138 CB PRO A 87 25.636 -2.500 -25.360 1.00 0.00 C ATOM 139 CG PRO A 87 24.200 -2.355 -24.997 1.00 0.00 C ATOM 140 CD PRO A 87 24.109 -1.160 -24.082 1.00 0.00 C ATOM 0 HA PRO A 87 27.246 -1.035 -25.010 1.00 0.00 H new ATOM 0 HB2 PRO A 87 25.748 -2.955 -26.344 1.00 0.00 H new ATOM 0 HB3 PRO A 87 26.157 -3.143 -24.650 1.00 0.00 H new ATOM 0 HG2 PRO A 87 23.588 -2.210 -25.887 1.00 0.00 H new ATOM 0 HG3 PRO A 87 23.833 -3.253 -24.500 1.00 0.00 H new ATOM 0 HD2 PRO A 87 23.186 -0.604 -24.245 1.00 0.00 H new ATOM 0 HD3 PRO A 87 24.119 -1.460 -23.034 1.00 0.00 H new ATOM 148 N CYS A 88 27.372 -0.557 -27.404 1.00 0.00 N ATOM 149 CA CYS A 88 27.507 -0.015 -28.751 1.00 0.00 C ATOM 150 C CYS A 88 26.753 -0.882 -29.755 1.00 0.00 C ATOM 151 O CYS A 88 26.604 -2.088 -29.561 1.00 0.00 O ATOM 152 CB CYS A 88 28.985 0.054 -29.140 1.00 0.00 C ATOM 153 SG CYS A 88 29.829 1.263 -28.091 1.00 0.00 S ATOM 0 H CYS A 88 28.217 -0.991 -27.033 1.00 0.00 H new ATOM 0 HA CYS A 88 27.082 0.988 -28.764 1.00 0.00 H new ATOM 0 HB2 CYS A 88 29.448 -0.927 -29.028 1.00 0.00 H new ATOM 0 HB3 CYS A 88 29.083 0.335 -30.189 1.00 0.00 H new ATOM 0 HG CYS A 88 31.085 1.320 -28.420 1.00 0.00 H new ATOM 159 N GLY A 89 26.281 -0.257 -30.828 1.00 0.00 N ATOM 160 CA GLY A 89 25.542 -0.975 -31.859 1.00 0.00 C ATOM 161 C GLY A 89 24.041 -0.907 -31.607 1.00 0.00 C ATOM 162 O GLY A 89 23.244 -1.255 -32.478 1.00 0.00 O ATOM 0 H GLY A 89 26.396 0.741 -31.006 1.00 0.00 H new ATOM 0 HA2 GLY A 89 25.769 -0.550 -32.836 1.00 0.00 H new ATOM 0 HA3 GLY A 89 25.863 -2.016 -31.882 1.00 0.00 H new ATOM 166 N TRP A 90 23.665 -0.447 -30.416 1.00 0.00 N ATOM 167 CA TRP A 90 22.255 -0.324 -30.056 1.00 0.00 C ATOM 168 C TRP A 90 21.885 1.138 -29.852 1.00 0.00 C ATOM 169 O TRP A 90 22.707 1.934 -29.396 1.00 0.00 O ATOM 170 CB TRP A 90 21.971 -1.112 -28.779 1.00 0.00 C ATOM 171 CG TRP A 90 22.123 -2.573 -29.060 1.00 0.00 C ATOM 172 CD1 TRP A 90 23.285 -3.261 -28.985 1.00 0.00 C ATOM 173 CD2 TRP A 90 21.102 -3.539 -29.447 1.00 0.00 C ATOM 174 NE1 TRP A 90 23.045 -4.583 -29.305 1.00 0.00 N ATOM 175 CE2 TRP A 90 21.715 -4.806 -29.598 1.00 0.00 C ATOM 176 CE3 TRP A 90 19.719 -3.440 -29.682 1.00 0.00 C ATOM 177 CZ2 TRP A 90 20.980 -5.934 -29.966 1.00 0.00 C ATOM 178 CZ3 TRP A 90 18.977 -4.572 -30.053 1.00 0.00 C ATOM 179 CH2 TRP A 90 19.606 -5.818 -30.195 1.00 0.00 C ATOM 0 H TRP A 90 24.315 -0.154 -29.686 1.00 0.00 H new ATOM 0 HA TRP A 90 21.652 -0.729 -30.869 1.00 0.00 H new ATOM 0 HB2 TRP A 90 22.658 -0.808 -27.989 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.963 -0.901 -28.423 1.00 0.00 H new ATOM 0 HD1 TRP A 90 24.245 -2.844 -28.718 1.00 0.00 H new ATOM 0 HE1 TRP A 90 23.764 -5.307 -29.323 1.00 0.00 H new ATOM 0 HE3 TRP A 90 19.224 -2.486 -29.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 21.470 -6.891 -30.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 17.915 -4.483 -30.230 1.00 0.00 H new ATOM 0 HH2 TRP A 90 19.030 -6.686 -30.481 1.00 0.00 H new ATOM 190 N GLU A 91 20.649 1.488 -30.196 1.00 0.00 N ATOM 191 CA GLU A 91 20.180 2.861 -30.049 1.00 0.00 C ATOM 192 C GLU A 91 19.072 2.942 -29.005 1.00 0.00 C ATOM 193 O GLU A 91 18.358 1.968 -28.769 1.00 0.00 O ATOM 194 CB GLU A 91 19.649 3.377 -31.387 1.00 0.00 C ATOM 195 CG GLU A 91 19.653 4.908 -31.390 1.00 0.00 C ATOM 196 CD GLU A 91 21.085 5.429 -31.447 1.00 0.00 C ATOM 197 OE1 GLU A 91 21.582 5.616 -32.544 1.00 0.00 O ATOM 198 OE2 GLU A 91 21.666 5.629 -30.391 1.00 0.00 O ATOM 0 H GLU A 91 19.957 0.843 -30.577 1.00 0.00 H new ATOM 0 HA GLU A 91 21.020 3.476 -29.724 1.00 0.00 H new ATOM 0 HB2 GLU A 91 20.266 3.001 -32.203 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.638 3.006 -31.555 1.00 0.00 H new ATOM 0 HG2 GLU A 91 19.089 5.279 -32.246 1.00 0.00 H new ATOM 0 HG3 GLU A 91 19.157 5.282 -30.494 1.00 0.00 H new ATOM 205 N ARG A 92 18.938 4.114 -28.383 1.00 0.00 N ATOM 206 CA ARG A 92 17.912 4.319 -27.365 1.00 0.00 C ATOM 207 C ARG A 92 17.015 5.491 -27.748 1.00 0.00 C ATOM 208 O ARG A 92 17.492 6.602 -27.971 1.00 0.00 O ATOM 209 CB ARG A 92 18.565 4.592 -26.010 1.00 0.00 C ATOM 210 CG ARG A 92 17.478 4.799 -24.954 1.00 0.00 C ATOM 211 CD ARG A 92 18.119 4.850 -23.567 1.00 0.00 C ATOM 212 NE ARG A 92 17.105 5.110 -22.553 1.00 0.00 N ATOM 213 CZ ARG A 92 16.333 4.131 -22.087 1.00 0.00 C ATOM 214 NH1 ARG A 92 16.478 2.914 -22.539 1.00 0.00 N ATOM 215 NH2 ARG A 92 15.432 4.387 -21.179 1.00 0.00 N ATOM 0 H ARG A 92 19.523 4.929 -28.566 1.00 0.00 H new ATOM 0 HA ARG A 92 17.306 3.416 -27.295 1.00 0.00 H new ATOM 0 HB2 ARG A 92 19.207 3.757 -25.728 1.00 0.00 H new ATOM 0 HB3 ARG A 92 19.200 5.476 -26.072 1.00 0.00 H new ATOM 0 HG2 ARG A 92 16.936 5.724 -25.150 1.00 0.00 H new ATOM 0 HG3 ARG A 92 16.751 3.988 -25.001 1.00 0.00 H new ATOM 0 HD2 ARG A 92 18.621 3.906 -23.356 1.00 0.00 H new ATOM 0 HD3 ARG A 92 18.880 5.630 -23.539 1.00 0.00 H new ATOM 0 HE ARG A 92 16.985 6.057 -22.195 1.00 0.00 H new ATOM 0 HH11 ARG A 92 17.183 2.714 -23.249 1.00 0.00 H new ATOM 0 HH12 ARG A 92 15.887 2.164 -22.182 1.00 0.00 H new ATOM 0 HH21 ARG A 92 15.319 5.337 -20.826 1.00 0.00 H new ATOM 0 HH22 ARG A 92 14.840 3.637 -20.822 1.00 0.00 H new ATOM 229 N VAL A 93 15.716 5.226 -27.828 1.00 0.00 N ATOM 230 CA VAL A 93 14.744 6.253 -28.191 1.00 0.00 C ATOM 231 C VAL A 93 13.605 6.314 -27.183 1.00 0.00 C ATOM 232 O VAL A 93 13.081 5.282 -26.769 1.00 0.00 O ATOM 233 CB VAL A 93 14.182 5.971 -29.584 1.00 0.00 C ATOM 234 CG1 VAL A 93 12.990 6.891 -29.847 1.00 0.00 C ATOM 235 CG2 VAL A 93 15.263 6.231 -30.639 1.00 0.00 C ATOM 0 H VAL A 93 15.310 4.308 -27.646 1.00 0.00 H new ATOM 0 HA VAL A 93 15.255 7.216 -28.190 1.00 0.00 H new ATOM 0 HB VAL A 93 13.863 4.930 -29.640 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.588 6.691 -30.840 1.00 0.00 H new ATOM 0 HG12 VAL A 93 12.218 6.709 -29.100 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.313 7.930 -29.789 1.00 0.00 H new ATOM 0 HG21 VAL A 93 14.859 6.029 -31.631 1.00 0.00 H new ATOM 0 HG22 VAL A 93 15.584 7.271 -30.583 1.00 0.00 H new ATOM 0 HG23 VAL A 93 16.116 5.578 -30.455 1.00 0.00 H new ATOM 245 N VAL A 94 13.223 7.534 -26.802 1.00 0.00 N ATOM 246 CA VAL A 94 12.135 7.720 -25.849 1.00 0.00 C ATOM 247 C VAL A 94 10.962 8.423 -26.517 1.00 0.00 C ATOM 248 O VAL A 94 11.148 9.402 -27.238 1.00 0.00 O ATOM 249 CB VAL A 94 12.619 8.541 -24.657 1.00 0.00 C ATOM 250 CG1 VAL A 94 13.753 7.792 -23.950 1.00 0.00 C ATOM 251 CG2 VAL A 94 13.127 9.897 -25.147 1.00 0.00 C ATOM 0 H VAL A 94 13.648 8.399 -27.137 1.00 0.00 H new ATOM 0 HA VAL A 94 11.807 6.741 -25.500 1.00 0.00 H new ATOM 0 HB VAL A 94 11.796 8.693 -23.959 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.100 8.377 -23.098 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.389 6.825 -23.602 1.00 0.00 H new ATOM 0 HG13 VAL A 94 14.578 7.640 -24.646 1.00 0.00 H new ATOM 0 HG21 VAL A 94 13.473 10.485 -24.297 1.00 0.00 H new ATOM 0 HG22 VAL A 94 13.952 9.746 -25.844 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.319 10.428 -25.650 1.00 0.00 H new ATOM 261 N LYS A 95 9.757 7.909 -26.282 1.00 0.00 N ATOM 262 CA LYS A 95 8.554 8.485 -26.873 1.00 0.00 C ATOM 263 C LYS A 95 7.578 8.916 -25.785 1.00 0.00 C ATOM 264 O LYS A 95 7.354 8.191 -24.817 1.00 0.00 O ATOM 265 CB LYS A 95 7.880 7.462 -27.789 1.00 0.00 C ATOM 266 CG LYS A 95 6.676 8.109 -28.479 1.00 0.00 C ATOM 267 CD LYS A 95 6.050 7.113 -29.455 1.00 0.00 C ATOM 268 CE LYS A 95 4.874 7.776 -30.174 1.00 0.00 C ATOM 269 NZ LYS A 95 4.270 6.810 -31.136 1.00 0.00 N ATOM 0 H LYS A 95 9.589 7.097 -25.688 1.00 0.00 H new ATOM 0 HA LYS A 95 8.841 9.360 -27.456 1.00 0.00 H new ATOM 0 HB2 LYS A 95 8.590 7.102 -28.534 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.559 6.596 -27.210 1.00 0.00 H new ATOM 0 HG2 LYS A 95 5.940 8.417 -27.736 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.988 9.008 -29.011 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.793 6.781 -30.180 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.710 6.227 -28.919 1.00 0.00 H new ATOM 0 HE2 LYS A 95 4.127 8.099 -29.449 1.00 0.00 H new ATOM 0 HE3 LYS A 95 5.213 8.667 -30.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 3.470 7.261 -31.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.985 6.522 -31.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.933 5.972 -30.621 1.00 0.00 H new ATOM 283 N GLN A 96 7.008 10.105 -25.952 1.00 0.00 N ATOM 284 CA GLN A 96 6.057 10.636 -24.979 1.00 0.00 C ATOM 285 C GLN A 96 4.662 10.734 -25.589 1.00 0.00 C ATOM 286 O GLN A 96 4.508 11.064 -26.765 1.00 0.00 O ATOM 287 CB GLN A 96 6.512 12.019 -24.515 1.00 0.00 C ATOM 288 CG GLN A 96 7.895 11.912 -23.867 1.00 0.00 C ATOM 289 CD GLN A 96 8.712 13.162 -24.174 1.00 0.00 C ATOM 290 OE1 GLN A 96 9.087 13.388 -25.324 1.00 0.00 O ATOM 291 NE2 GLN A 96 9.006 13.996 -23.215 1.00 0.00 N ATOM 0 H GLN A 96 7.186 10.718 -26.748 1.00 0.00 H new ATOM 0 HA GLN A 96 6.018 9.958 -24.126 1.00 0.00 H new ATOM 0 HB2 GLN A 96 6.548 12.705 -25.362 1.00 0.00 H new ATOM 0 HB3 GLN A 96 5.796 12.429 -23.803 1.00 0.00 H new ATOM 0 HG2 GLN A 96 7.792 11.790 -22.789 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.413 11.028 -24.240 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.695 13.808 -22.262 1.00 0.00 H new ATOM 0 HE22 GLN A 96 9.547 14.836 -23.418 1.00 0.00 H new ATOM 300 N ARG A 97 3.651 10.446 -24.777 1.00 0.00 N ATOM 301 CA ARG A 97 2.269 10.507 -25.246 1.00 0.00 C ATOM 302 C ARG A 97 1.713 11.915 -25.099 1.00 0.00 C ATOM 303 O ARG A 97 1.587 12.427 -23.985 1.00 0.00 O ATOM 304 CB ARG A 97 1.398 9.536 -24.453 1.00 0.00 C ATOM 305 CG ARG A 97 1.914 8.110 -24.641 1.00 0.00 C ATOM 306 CD ARG A 97 0.858 7.121 -24.153 1.00 0.00 C ATOM 307 NE ARG A 97 1.485 5.866 -23.754 1.00 0.00 N ATOM 308 CZ ARG A 97 0.781 4.898 -23.178 1.00 0.00 C ATOM 309 NH1 ARG A 97 -0.496 5.061 -22.965 1.00 0.00 N ATOM 310 NH2 ARG A 97 1.370 3.795 -22.807 1.00 0.00 N ATOM 0 H ARG A 97 3.758 10.171 -23.801 1.00 0.00 H new ATOM 0 HA ARG A 97 2.258 10.228 -26.300 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.411 9.801 -23.396 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.363 9.605 -24.787 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.140 7.929 -25.692 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.842 7.971 -24.087 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.313 7.547 -23.311 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.130 6.937 -24.943 1.00 0.00 H new ATOM 0 HE ARG A 97 2.482 5.729 -23.920 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.952 5.931 -23.241 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -1.038 4.319 -22.523 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.371 3.676 -22.959 1.00 0.00 H new ATOM 0 HH22 ARG A 97 0.829 3.052 -22.365 1.00 0.00 H new ATOM 324 N LEU A 98 1.387 12.538 -26.227 1.00 0.00 N ATOM 325 CA LEU A 98 0.851 13.895 -26.223 1.00 0.00 C ATOM 326 C LEU A 98 -0.610 13.896 -26.624 1.00 0.00 C ATOM 327 O LEU A 98 -1.194 14.955 -26.864 1.00 0.00 O ATOM 328 CB LEU A 98 1.654 14.790 -27.184 1.00 0.00 C ATOM 329 CG LEU A 98 2.942 15.272 -26.503 1.00 0.00 C ATOM 330 CD1 LEU A 98 2.593 16.194 -25.327 1.00 0.00 C ATOM 331 CD2 LEU A 98 3.735 14.070 -25.986 1.00 0.00 C ATOM 0 H LEU A 98 1.484 12.125 -27.155 1.00 0.00 H new ATOM 0 HA LEU A 98 0.936 14.290 -25.211 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.898 14.236 -28.091 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.051 15.646 -27.486 1.00 0.00 H new ATOM 0 HG LEU A 98 3.544 15.820 -27.228 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.510 16.534 -24.846 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.035 17.055 -25.693 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.986 15.648 -24.605 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.649 14.417 -25.503 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.131 13.518 -25.266 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.991 13.417 -26.820 1.00 0.00 H new ATOM 343 N PHE A 99 -1.194 12.709 -26.707 1.00 0.00 N ATOM 344 CA PHE A 99 -2.592 12.588 -27.092 1.00 0.00 C ATOM 345 C PHE A 99 -3.328 11.629 -26.159 1.00 0.00 C ATOM 346 O PHE A 99 -2.758 10.643 -25.692 1.00 0.00 O ATOM 347 CB PHE A 99 -2.681 12.063 -28.525 1.00 0.00 C ATOM 348 CG PHE A 99 -1.902 12.975 -29.443 1.00 0.00 C ATOM 349 CD1 PHE A 99 -2.524 14.081 -30.033 1.00 0.00 C ATOM 350 CD2 PHE A 99 -0.551 12.711 -29.703 1.00 0.00 C ATOM 351 CE1 PHE A 99 -1.795 14.923 -30.884 1.00 0.00 C ATOM 352 CE2 PHE A 99 0.177 13.550 -30.553 1.00 0.00 C ATOM 353 CZ PHE A 99 -0.445 14.657 -31.144 1.00 0.00 C ATOM 0 H PHE A 99 -0.726 11.823 -26.515 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.058 13.571 -27.024 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.283 11.050 -28.578 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.723 12.014 -28.842 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.565 14.286 -29.833 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.071 11.858 -29.246 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.275 15.777 -31.339 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.218 13.344 -30.753 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.117 15.305 -31.800 1.00 0.00 H new ATOM 363 N GLY A 100 -4.596 11.924 -25.898 1.00 0.00 N ATOM 364 CA GLY A 100 -5.405 11.081 -25.024 1.00 0.00 C ATOM 365 C GLY A 100 -5.335 11.558 -23.578 1.00 0.00 C ATOM 366 O GLY A 100 -4.400 12.253 -23.186 1.00 0.00 O ATOM 0 H GLY A 100 -5.085 12.736 -26.276 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -6.441 11.090 -25.363 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.058 10.050 -25.087 1.00 0.00 H new ATOM 370 N LYS A 101 -6.328 11.166 -22.785 1.00 0.00 N ATOM 371 CA LYS A 101 -6.366 11.551 -21.379 1.00 0.00 C ATOM 372 C LYS A 101 -5.182 10.954 -20.626 1.00 0.00 C ATOM 373 O LYS A 101 -4.745 11.492 -19.609 1.00 0.00 O ATOM 374 CB LYS A 101 -7.675 11.072 -20.751 1.00 0.00 C ATOM 375 CG LYS A 101 -7.735 9.549 -20.787 1.00 0.00 C ATOM 376 CD LYS A 101 -9.194 9.094 -20.822 1.00 0.00 C ATOM 377 CE LYS A 101 -9.252 7.566 -20.831 1.00 0.00 C ATOM 378 NZ LYS A 101 -8.835 7.045 -19.499 1.00 0.00 N ATOM 0 H LYS A 101 -7.111 10.587 -23.089 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.306 12.637 -21.312 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.746 11.424 -19.722 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -8.524 11.492 -21.291 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.206 9.175 -21.663 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.235 9.134 -19.912 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.728 9.484 -19.956 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.689 9.492 -21.708 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.263 7.231 -21.064 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.598 7.171 -21.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -9.141 6.056 -19.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.800 7.097 -19.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.273 7.618 -18.750 1.00 0.00 H new ATOM 392 N THR A 102 -4.668 9.841 -21.137 1.00 0.00 N ATOM 393 CA THR A 102 -3.534 9.178 -20.509 1.00 0.00 C ATOM 394 C THR A 102 -2.228 9.802 -20.981 1.00 0.00 C ATOM 395 O THR A 102 -1.150 9.347 -20.618 1.00 0.00 O ATOM 396 CB THR A 102 -3.542 7.684 -20.848 1.00 0.00 C ATOM 397 OG1 THR A 102 -3.451 7.519 -22.256 1.00 0.00 O ATOM 398 CG2 THR A 102 -4.839 7.054 -20.341 1.00 0.00 C ATOM 0 H THR A 102 -5.016 9.382 -21.979 1.00 0.00 H new ATOM 0 HA THR A 102 -3.617 9.301 -19.429 1.00 0.00 H new ATOM 0 HB THR A 102 -2.692 7.197 -20.370 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.454 6.564 -22.474 1.00 0.00 H new ATOM 0 HG21 THR A 102 -4.846 5.991 -20.582 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.908 7.182 -19.261 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.690 7.539 -20.818 1.00 0.00 H new ATOM 406 N ALA A 103 -2.334 10.845 -21.793 1.00 0.00 N ATOM 407 CA ALA A 103 -1.147 11.520 -22.307 1.00 0.00 C ATOM 408 C ALA A 103 -0.255 11.984 -21.161 1.00 0.00 C ATOM 409 O ALA A 103 -0.741 12.516 -20.161 1.00 0.00 O ATOM 410 CB ALA A 103 -1.561 12.732 -23.145 1.00 0.00 C ATOM 0 H ALA A 103 -3.220 11.240 -22.108 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.592 10.815 -22.926 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.671 13.232 -23.526 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.178 12.403 -23.981 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.130 13.426 -22.525 1.00 0.00 H new ATOM 416 N GLY A 104 1.050 11.781 -21.316 1.00 0.00 N ATOM 417 CA GLY A 104 2.012 12.175 -20.289 1.00 0.00 C ATOM 418 C GLY A 104 2.884 10.998 -19.866 1.00 0.00 C ATOM 419 O GLY A 104 3.870 11.169 -19.152 1.00 0.00 O ATOM 0 H GLY A 104 1.466 11.347 -22.140 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.642 12.980 -20.668 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.481 12.567 -19.422 1.00 0.00 H new ATOM 423 N ARG A 105 2.522 9.807 -20.325 1.00 0.00 N ATOM 424 CA ARG A 105 3.284 8.606 -19.995 1.00 0.00 C ATOM 425 C ARG A 105 4.595 8.593 -20.759 1.00 0.00 C ATOM 426 O ARG A 105 4.778 9.371 -21.693 1.00 0.00 O ATOM 427 CB ARG A 105 2.475 7.356 -20.351 1.00 0.00 C ATOM 428 CG ARG A 105 1.127 7.387 -19.621 1.00 0.00 C ATOM 429 CD ARG A 105 1.311 7.007 -18.152 1.00 0.00 C ATOM 430 NE ARG A 105 0.020 6.911 -17.492 1.00 0.00 N ATOM 431 CZ ARG A 105 -0.075 6.968 -16.169 1.00 0.00 C ATOM 432 NH1 ARG A 105 1.002 7.119 -15.444 1.00 0.00 N ATOM 433 NH2 ARG A 105 -1.240 6.878 -15.594 1.00 0.00 N ATOM 0 H ARG A 105 1.712 9.645 -20.923 1.00 0.00 H new ATOM 0 HA ARG A 105 3.491 8.609 -18.925 1.00 0.00 H new ATOM 0 HB2 ARG A 105 2.315 7.309 -21.428 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.030 6.460 -20.072 1.00 0.00 H new ATOM 0 HG2 ARG A 105 0.689 8.382 -19.694 1.00 0.00 H new ATOM 0 HG3 ARG A 105 0.431 6.697 -20.098 1.00 0.00 H new ATOM 0 HD2 ARG A 105 1.837 6.055 -18.078 1.00 0.00 H new ATOM 0 HD3 ARG A 105 1.929 7.752 -17.651 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.825 6.798 -18.053 1.00 0.00 H new ATOM 0 HH11 ARG A 105 1.914 7.193 -15.895 1.00 0.00 H new ATOM 0 HH12 ARG A 105 0.930 7.163 -14.427 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.081 6.764 -16.160 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.312 6.922 -14.577 1.00 0.00 H new ATOM 447 N PHE A 106 5.513 7.710 -20.354 1.00 0.00 N ATOM 448 CA PHE A 106 6.806 7.614 -21.012 1.00 0.00 C ATOM 449 C PHE A 106 7.036 6.198 -21.533 1.00 0.00 C ATOM 450 O PHE A 106 6.935 5.229 -20.779 1.00 0.00 O ATOM 451 CB PHE A 106 7.916 7.976 -20.021 1.00 0.00 C ATOM 452 CG PHE A 106 7.726 9.398 -19.552 1.00 0.00 C ATOM 453 CD1 PHE A 106 8.266 10.459 -20.291 1.00 0.00 C ATOM 454 CD2 PHE A 106 7.008 9.660 -18.377 1.00 0.00 C ATOM 455 CE1 PHE A 106 8.089 11.777 -19.856 1.00 0.00 C ATOM 456 CE2 PHE A 106 6.831 10.978 -17.943 1.00 0.00 C ATOM 457 CZ PHE A 106 7.372 12.037 -18.682 1.00 0.00 C ATOM 0 H PHE A 106 5.380 7.059 -19.580 1.00 0.00 H new ATOM 0 HA PHE A 106 6.821 8.307 -21.853 1.00 0.00 H new ATOM 0 HB2 PHE A 106 7.895 7.295 -19.170 1.00 0.00 H new ATOM 0 HB3 PHE A 106 8.892 7.865 -20.494 1.00 0.00 H new ATOM 0 HD1 PHE A 106 8.819 10.259 -21.197 1.00 0.00 H new ATOM 0 HD2 PHE A 106 6.591 8.843 -17.806 1.00 0.00 H new ATOM 0 HE1 PHE A 106 8.506 12.594 -20.426 1.00 0.00 H new ATOM 0 HE2 PHE A 106 6.277 11.179 -17.038 1.00 0.00 H new ATOM 0 HZ PHE A 106 7.236 13.054 -18.346 1.00 0.00 H new ATOM 467 N ASP A 107 7.355 6.091 -22.820 1.00 0.00 N ATOM 468 CA ASP A 107 7.606 4.788 -23.432 1.00 0.00 C ATOM 469 C ASP A 107 8.940 4.801 -24.168 1.00 0.00 C ATOM 470 O ASP A 107 9.138 5.586 -25.090 1.00 0.00 O ATOM 471 CB ASP A 107 6.483 4.446 -24.412 1.00 0.00 C ATOM 472 CG ASP A 107 5.146 4.928 -23.859 1.00 0.00 C ATOM 473 OD1 ASP A 107 4.859 6.105 -24.003 1.00 0.00 O ATOM 474 OD2 ASP A 107 4.428 4.113 -23.304 1.00 0.00 O ATOM 0 H ASP A 107 7.446 6.884 -23.456 1.00 0.00 H new ATOM 0 HA ASP A 107 7.640 4.034 -22.646 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.677 4.913 -25.378 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.450 3.369 -24.580 1.00 0.00 H new ATOM 479 N VAL A 108 9.851 3.936 -23.739 1.00 0.00 N ATOM 480 CA VAL A 108 11.176 3.857 -24.353 1.00 0.00 C ATOM 481 C VAL A 108 11.405 2.485 -24.968 1.00 0.00 C ATOM 482 O VAL A 108 10.820 1.494 -24.537 1.00 0.00 O ATOM 483 CB VAL A 108 12.253 4.142 -23.307 1.00 0.00 C ATOM 484 CG1 VAL A 108 11.748 5.198 -22.320 1.00 0.00 C ATOM 485 CG2 VAL A 108 12.584 2.855 -22.557 1.00 0.00 C ATOM 0 H VAL A 108 9.700 3.281 -22.972 1.00 0.00 H new ATOM 0 HA VAL A 108 11.233 4.605 -25.144 1.00 0.00 H new ATOM 0 HB VAL A 108 13.150 4.515 -23.802 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.519 5.398 -21.576 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.515 6.117 -22.858 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.850 4.831 -21.823 1.00 0.00 H new ATOM 0 HG21 VAL A 108 13.352 3.056 -21.810 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.687 2.481 -22.063 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.949 2.107 -23.261 1.00 0.00 H new ATOM 495 N TYR A 109 12.266 2.436 -25.978 1.00 0.00 N ATOM 496 CA TYR A 109 12.575 1.179 -26.651 1.00 0.00 C ATOM 497 C TYR A 109 13.945 1.244 -27.318 1.00 0.00 C ATOM 498 O TYR A 109 14.486 2.327 -27.534 1.00 0.00 O ATOM 499 CB TYR A 109 11.497 0.864 -27.688 1.00 0.00 C ATOM 500 CG TYR A 109 11.192 2.107 -28.486 1.00 0.00 C ATOM 501 CD1 TYR A 109 11.922 2.398 -29.643 1.00 0.00 C ATOM 502 CD2 TYR A 109 10.176 2.970 -28.063 1.00 0.00 C ATOM 503 CE1 TYR A 109 11.634 3.556 -30.377 1.00 0.00 C ATOM 504 CE2 TYR A 109 9.889 4.128 -28.795 1.00 0.00 C ATOM 505 CZ TYR A 109 10.619 4.422 -29.953 1.00 0.00 C ATOM 506 OH TYR A 109 10.336 5.561 -30.677 1.00 0.00 O ATOM 0 H TYR A 109 12.761 3.248 -26.348 1.00 0.00 H new ATOM 0 HA TYR A 109 12.596 0.384 -25.906 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.835 0.067 -28.350 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.594 0.505 -27.193 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.706 1.731 -29.970 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.612 2.743 -27.170 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.196 3.781 -31.271 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.105 4.794 -28.467 1.00 0.00 H new ATOM 0 HH TYR A 109 9.604 6.049 -30.246 1.00 0.00 H new ATOM 516 N PHE A 110 14.501 0.077 -27.632 1.00 0.00 N ATOM 517 CA PHE A 110 15.814 0.015 -28.265 1.00 0.00 C ATOM 518 C PHE A 110 15.683 -0.335 -29.740 1.00 0.00 C ATOM 519 O PHE A 110 14.852 -1.162 -30.118 1.00 0.00 O ATOM 520 CB PHE A 110 16.676 -1.040 -27.569 1.00 0.00 C ATOM 521 CG PHE A 110 17.039 -0.563 -26.182 1.00 0.00 C ATOM 522 CD1 PHE A 110 16.167 -0.795 -25.111 1.00 0.00 C ATOM 523 CD2 PHE A 110 18.247 0.112 -25.969 1.00 0.00 C ATOM 524 CE1 PHE A 110 16.505 -0.351 -23.826 1.00 0.00 C ATOM 525 CE2 PHE A 110 18.584 0.554 -24.685 1.00 0.00 C ATOM 526 CZ PHE A 110 17.713 0.324 -23.614 1.00 0.00 C ATOM 0 H PHE A 110 14.067 -0.830 -27.460 1.00 0.00 H new ATOM 0 HA PHE A 110 16.286 0.994 -28.175 1.00 0.00 H new ATOM 0 HB2 PHE A 110 16.135 -1.985 -27.510 1.00 0.00 H new ATOM 0 HB3 PHE A 110 17.580 -1.226 -28.149 1.00 0.00 H new ATOM 0 HD1 PHE A 110 15.235 -1.316 -25.275 1.00 0.00 H new ATOM 0 HD2 PHE A 110 18.919 0.291 -26.796 1.00 0.00 H new ATOM 0 HE1 PHE A 110 15.834 -0.529 -22.999 1.00 0.00 H new ATOM 0 HE2 PHE A 110 19.517 1.073 -24.520 1.00 0.00 H new ATOM 0 HZ PHE A 110 17.973 0.667 -22.624 1.00 0.00 H new ATOM 536 N ILE A 111 16.504 0.310 -30.569 1.00 0.00 N ATOM 537 CA ILE A 111 16.473 0.066 -32.005 1.00 0.00 C ATOM 538 C ILE A 111 17.838 -0.401 -32.495 1.00 0.00 C ATOM 539 O ILE A 111 18.857 0.238 -32.229 1.00 0.00 O ATOM 540 CB ILE A 111 16.067 1.339 -32.747 1.00 0.00 C ATOM 541 CG1 ILE A 111 14.722 1.830 -32.214 1.00 0.00 C ATOM 542 CG2 ILE A 111 15.939 1.044 -34.245 1.00 0.00 C ATOM 543 CD1 ILE A 111 14.388 3.186 -32.839 1.00 0.00 C ATOM 0 H ILE A 111 17.193 1.000 -30.270 1.00 0.00 H new ATOM 0 HA ILE A 111 15.740 -0.715 -32.206 1.00 0.00 H new ATOM 0 HB ILE A 111 16.827 2.105 -32.591 1.00 0.00 H new ATOM 0 HG12 ILE A 111 13.940 1.107 -32.449 1.00 0.00 H new ATOM 0 HG13 ILE A 111 14.759 1.918 -31.128 1.00 0.00 H new ATOM 0 HG21 ILE A 111 15.649 1.953 -34.771 1.00 0.00 H new ATOM 0 HG22 ILE A 111 16.896 0.691 -34.629 1.00 0.00 H new ATOM 0 HG23 ILE A 111 15.180 0.277 -34.401 1.00 0.00 H new ATOM 0 HD11 ILE A 111 13.428 3.536 -32.458 1.00 0.00 H new ATOM 0 HD12 ILE A 111 15.165 3.906 -32.582 1.00 0.00 H new ATOM 0 HD13 ILE A 111 14.333 3.083 -33.923 1.00 0.00 H new ATOM 555 N SER A 112 17.849 -1.522 -33.209 1.00 0.00 N ATOM 556 CA SER A 112 19.092 -2.065 -33.721 1.00 0.00 C ATOM 557 C SER A 112 19.579 -1.254 -34.920 1.00 0.00 C ATOM 558 O SER A 112 18.900 -0.334 -35.380 1.00 0.00 O ATOM 559 CB SER A 112 18.902 -3.524 -34.141 1.00 0.00 C ATOM 560 OG SER A 112 18.890 -3.606 -35.562 1.00 0.00 O ATOM 0 H SER A 112 17.017 -2.064 -33.442 1.00 0.00 H new ATOM 0 HA SER A 112 19.837 -2.011 -32.927 1.00 0.00 H new ATOM 0 HB2 SER A 112 19.706 -4.139 -33.736 1.00 0.00 H new ATOM 0 HB3 SER A 112 17.968 -3.913 -33.735 1.00 0.00 H new ATOM 0 HG SER A 112 18.770 -4.540 -35.835 1.00 0.00 H new ATOM 566 N PRO A 113 20.739 -1.577 -35.432 1.00 0.00 N ATOM 567 CA PRO A 113 21.335 -0.865 -36.604 1.00 0.00 C ATOM 568 C PRO A 113 20.453 -0.956 -37.849 1.00 0.00 C ATOM 569 O PRO A 113 20.517 -0.102 -38.732 1.00 0.00 O ATOM 570 CB PRO A 113 22.667 -1.591 -36.836 1.00 0.00 C ATOM 571 CG PRO A 113 22.964 -2.290 -35.554 1.00 0.00 C ATOM 572 CD PRO A 113 21.619 -2.662 -34.966 1.00 0.00 C ATOM 0 HA PRO A 113 21.449 0.202 -36.412 1.00 0.00 H new ATOM 0 HB2 PRO A 113 22.590 -2.299 -37.661 1.00 0.00 H new ATOM 0 HB3 PRO A 113 23.459 -0.887 -37.093 1.00 0.00 H new ATOM 0 HG2 PRO A 113 23.575 -3.176 -35.724 1.00 0.00 H new ATOM 0 HG3 PRO A 113 23.522 -1.644 -34.876 1.00 0.00 H new ATOM 0 HD2 PRO A 113 21.280 -3.636 -35.319 1.00 0.00 H new ATOM 0 HD3 PRO A 113 21.655 -2.713 -33.878 1.00 0.00 H new ATOM 580 N GLN A 114 19.641 -2.006 -37.915 1.00 0.00 N ATOM 581 CA GLN A 114 18.760 -2.206 -39.060 1.00 0.00 C ATOM 582 C GLN A 114 17.621 -1.192 -39.049 1.00 0.00 C ATOM 583 O GLN A 114 16.988 -0.948 -40.077 1.00 0.00 O ATOM 584 CB GLN A 114 18.183 -3.624 -39.038 1.00 0.00 C ATOM 585 CG GLN A 114 19.309 -4.635 -39.276 1.00 0.00 C ATOM 586 CD GLN A 114 18.739 -6.047 -39.318 1.00 0.00 C ATOM 587 OE1 GLN A 114 17.539 -6.237 -39.125 1.00 0.00 O ATOM 588 NE2 GLN A 114 19.531 -7.054 -39.561 1.00 0.00 N ATOM 0 H GLN A 114 19.575 -2.726 -37.196 1.00 0.00 H new ATOM 0 HA GLN A 114 19.345 -2.066 -39.969 1.00 0.00 H new ATOM 0 HB2 GLN A 114 17.702 -3.818 -38.079 1.00 0.00 H new ATOM 0 HB3 GLN A 114 17.417 -3.729 -39.806 1.00 0.00 H new ATOM 0 HG2 GLN A 114 19.818 -4.411 -40.213 1.00 0.00 H new ATOM 0 HG3 GLN A 114 20.053 -4.557 -38.483 1.00 0.00 H new ATOM 0 HE21 GLN A 114 20.526 -6.894 -39.721 1.00 0.00 H new ATOM 0 HE22 GLN A 114 19.156 -8.002 -39.591 1.00 0.00 H new ATOM 597 N GLY A 115 17.364 -0.605 -37.886 1.00 0.00 N ATOM 598 CA GLY A 115 16.295 0.377 -37.761 1.00 0.00 C ATOM 599 C GLY A 115 15.008 -0.273 -37.259 1.00 0.00 C ATOM 600 O GLY A 115 13.936 0.329 -37.315 1.00 0.00 O ATOM 0 H GLY A 115 17.876 -0.790 -37.024 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.600 1.166 -37.073 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.115 0.848 -38.727 1.00 0.00 H new ATOM 604 N LEU A 116 15.124 -1.502 -36.770 1.00 0.00 N ATOM 605 CA LEU A 116 13.963 -2.224 -36.256 1.00 0.00 C ATOM 606 C LEU A 116 13.665 -1.812 -34.821 1.00 0.00 C ATOM 607 O LEU A 116 14.576 -1.555 -34.042 1.00 0.00 O ATOM 608 CB LEU A 116 14.216 -3.731 -36.319 1.00 0.00 C ATOM 609 CG LEU A 116 14.410 -4.156 -37.776 1.00 0.00 C ATOM 610 CD1 LEU A 116 14.789 -5.634 -37.829 1.00 0.00 C ATOM 611 CD2 LEU A 116 13.111 -3.936 -38.558 1.00 0.00 C ATOM 0 H LEU A 116 16.003 -2.018 -36.718 1.00 0.00 H new ATOM 0 HA LEU A 116 13.101 -1.976 -36.875 1.00 0.00 H new ATOM 0 HB2 LEU A 116 15.099 -3.987 -35.734 1.00 0.00 H new ATOM 0 HB3 LEU A 116 13.376 -4.270 -35.881 1.00 0.00 H new ATOM 0 HG LEU A 116 15.205 -3.558 -38.221 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.927 -5.937 -38.867 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.716 -5.792 -37.278 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.994 -6.230 -37.380 1.00 0.00 H new ATOM 0 HD21 LEU A 116 13.255 -4.240 -39.595 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.313 -4.530 -38.113 1.00 0.00 H new ATOM 0 HD23 LEU A 116 12.840 -2.881 -38.524 1.00 0.00 H new ATOM 623 N LYS A 117 12.382 -1.748 -34.482 1.00 0.00 N ATOM 624 CA LYS A 117 11.973 -1.356 -33.137 1.00 0.00 C ATOM 625 C LYS A 117 11.488 -2.565 -32.344 1.00 0.00 C ATOM 626 O LYS A 117 10.801 -3.436 -32.878 1.00 0.00 O ATOM 627 CB LYS A 117 10.854 -0.321 -33.216 1.00 0.00 C ATOM 628 CG LYS A 117 10.832 0.505 -31.928 1.00 0.00 C ATOM 629 CD LYS A 117 9.419 1.035 -31.677 1.00 0.00 C ATOM 630 CE LYS A 117 8.991 1.922 -32.848 1.00 0.00 C ATOM 631 NZ LYS A 117 7.831 2.762 -32.435 1.00 0.00 N ATOM 0 H LYS A 117 11.611 -1.961 -35.115 1.00 0.00 H new ATOM 0 HA LYS A 117 12.837 -0.927 -32.629 1.00 0.00 H new ATOM 0 HB2 LYS A 117 11.007 0.331 -34.076 1.00 0.00 H new ATOM 0 HB3 LYS A 117 9.894 -0.817 -33.359 1.00 0.00 H new ATOM 0 HG2 LYS A 117 11.155 -0.108 -31.087 1.00 0.00 H new ATOM 0 HG3 LYS A 117 11.534 1.336 -32.006 1.00 0.00 H new ATOM 0 HD2 LYS A 117 8.723 0.204 -31.563 1.00 0.00 H new ATOM 0 HD3 LYS A 117 9.392 1.604 -30.747 1.00 0.00 H new ATOM 0 HE2 LYS A 117 9.821 2.556 -33.160 1.00 0.00 H new ATOM 0 HE3 LYS A 117 8.721 1.306 -33.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 7.539 3.366 -33.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 7.039 2.148 -32.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 8.105 3.360 -31.629 1.00 0.00 H new ATOM 645 N PHE A 118 11.848 -2.611 -31.065 1.00 0.00 N ATOM 646 CA PHE A 118 11.437 -3.717 -30.210 1.00 0.00 C ATOM 647 C PHE A 118 11.055 -3.206 -28.824 1.00 0.00 C ATOM 648 O PHE A 118 11.709 -2.313 -28.284 1.00 0.00 O ATOM 649 CB PHE A 118 12.573 -4.730 -30.083 1.00 0.00 C ATOM 650 CG PHE A 118 12.983 -5.199 -31.458 1.00 0.00 C ATOM 651 CD1 PHE A 118 12.135 -6.033 -32.196 1.00 0.00 C ATOM 652 CD2 PHE A 118 14.210 -4.796 -31.997 1.00 0.00 C ATOM 653 CE1 PHE A 118 12.515 -6.466 -33.473 1.00 0.00 C ATOM 654 CE2 PHE A 118 14.591 -5.227 -33.270 1.00 0.00 C ATOM 655 CZ PHE A 118 13.744 -6.062 -34.010 1.00 0.00 C ATOM 0 H PHE A 118 12.418 -1.903 -30.602 1.00 0.00 H new ATOM 0 HA PHE A 118 10.570 -4.198 -30.662 1.00 0.00 H new ATOM 0 HB2 PHE A 118 13.423 -4.277 -29.573 1.00 0.00 H new ATOM 0 HB3 PHE A 118 12.253 -5.578 -29.478 1.00 0.00 H new ATOM 0 HD1 PHE A 118 11.187 -6.343 -31.781 1.00 0.00 H new ATOM 0 HD2 PHE A 118 14.863 -4.151 -31.428 1.00 0.00 H new ATOM 0 HE1 PHE A 118 11.861 -7.110 -34.042 1.00 0.00 H new ATOM 0 HE2 PHE A 118 15.539 -4.916 -33.684 1.00 0.00 H new ATOM 0 HZ PHE A 118 14.039 -6.394 -34.995 1.00 0.00 H new ATOM 665 N ARG A 119 10.000 -3.777 -28.254 1.00 0.00 N ATOM 666 CA ARG A 119 9.546 -3.372 -26.928 1.00 0.00 C ATOM 667 C ARG A 119 9.293 -4.596 -26.052 1.00 0.00 C ATOM 668 O ARG A 119 8.838 -4.472 -24.914 1.00 0.00 O ATOM 669 CB ARG A 119 8.261 -2.547 -27.042 1.00 0.00 C ATOM 670 CG ARG A 119 7.139 -3.411 -27.640 1.00 0.00 C ATOM 671 CD ARG A 119 5.838 -2.615 -27.664 1.00 0.00 C ATOM 672 NE ARG A 119 4.698 -3.522 -27.586 1.00 0.00 N ATOM 673 CZ ARG A 119 3.553 -3.139 -27.028 1.00 0.00 C ATOM 674 NH1 ARG A 119 3.431 -1.933 -26.550 1.00 0.00 N ATOM 675 NH2 ARG A 119 2.550 -3.969 -26.970 1.00 0.00 N ATOM 0 H ARG A 119 9.446 -4.517 -28.685 1.00 0.00 H new ATOM 0 HA ARG A 119 10.325 -2.764 -26.468 1.00 0.00 H new ATOM 0 HB2 ARG A 119 7.965 -2.180 -26.059 1.00 0.00 H new ATOM 0 HB3 ARG A 119 8.434 -1.673 -27.670 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.405 -3.723 -28.650 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.011 -4.318 -27.050 1.00 0.00 H new ATOM 0 HD2 ARG A 119 5.815 -1.915 -26.829 1.00 0.00 H new ATOM 0 HD3 ARG A 119 5.781 -2.023 -28.577 1.00 0.00 H new ATOM 0 HE ARG A 119 4.780 -4.465 -27.966 1.00 0.00 H new ATOM 0 HH11 ARG A 119 4.214 -1.282 -26.604 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.552 -1.640 -26.122 1.00 0.00 H new ATOM 0 HH21 ARG A 119 2.644 -4.910 -27.352 1.00 0.00 H new ATOM 0 HH22 ARG A 119 1.671 -3.678 -26.543 1.00 0.00 H new ATOM 689 N SER A 120 9.575 -5.775 -26.594 1.00 0.00 N ATOM 690 CA SER A 120 9.367 -7.015 -25.856 1.00 0.00 C ATOM 691 C SER A 120 10.558 -7.949 -26.027 1.00 0.00 C ATOM 692 O SER A 120 11.192 -7.975 -27.081 1.00 0.00 O ATOM 693 CB SER A 120 8.095 -7.707 -26.350 1.00 0.00 C ATOM 694 OG SER A 120 6.978 -6.859 -26.117 1.00 0.00 O ATOM 0 H SER A 120 9.946 -5.898 -27.536 1.00 0.00 H new ATOM 0 HA SER A 120 9.262 -6.773 -24.798 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.179 -7.933 -27.413 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.959 -8.657 -25.832 1.00 0.00 H new ATOM 0 HG SER A 120 6.162 -7.299 -26.434 1.00 0.00 H new ATOM 700 N LYS A 121 10.853 -8.719 -24.986 1.00 0.00 N ATOM 701 CA LYS A 121 11.967 -9.657 -25.039 1.00 0.00 C ATOM 702 C LYS A 121 11.747 -10.693 -26.135 1.00 0.00 C ATOM 703 O LYS A 121 12.662 -10.993 -26.908 1.00 0.00 O ATOM 704 CB LYS A 121 12.119 -10.358 -23.690 1.00 0.00 C ATOM 705 CG LYS A 121 13.259 -11.377 -23.767 1.00 0.00 C ATOM 706 CD LYS A 121 13.747 -11.716 -22.356 1.00 0.00 C ATOM 707 CE LYS A 121 12.619 -12.378 -21.564 1.00 0.00 C ATOM 708 NZ LYS A 121 13.151 -12.887 -20.271 1.00 0.00 N ATOM 0 H LYS A 121 10.342 -8.713 -24.103 1.00 0.00 H new ATOM 0 HA LYS A 121 12.877 -9.101 -25.264 1.00 0.00 H new ATOM 0 HB2 LYS A 121 12.324 -9.626 -22.909 1.00 0.00 H new ATOM 0 HB3 LYS A 121 11.188 -10.858 -23.421 1.00 0.00 H new ATOM 0 HG2 LYS A 121 12.917 -12.281 -24.271 1.00 0.00 H new ATOM 0 HG3 LYS A 121 14.081 -10.973 -24.359 1.00 0.00 H new ATOM 0 HD2 LYS A 121 14.607 -12.384 -22.409 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.078 -10.810 -21.848 1.00 0.00 H new ATOM 0 HE2 LYS A 121 11.818 -11.661 -21.383 1.00 0.00 H new ATOM 0 HE3 LYS A 121 12.189 -13.197 -22.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 12.383 -13.337 -19.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 13.900 -13.584 -20.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 13.542 -12.096 -19.721 1.00 0.00 H new ATOM 722 N SER A 122 10.537 -11.247 -26.197 1.00 0.00 N ATOM 723 CA SER A 122 10.229 -12.255 -27.200 1.00 0.00 C ATOM 724 C SER A 122 10.397 -11.674 -28.601 1.00 0.00 C ATOM 725 O SER A 122 11.094 -12.245 -29.438 1.00 0.00 O ATOM 726 CB SER A 122 8.790 -12.736 -27.016 1.00 0.00 C ATOM 727 OG SER A 122 8.481 -13.696 -28.016 1.00 0.00 O ATOM 0 H SER A 122 9.765 -11.016 -25.571 1.00 0.00 H new ATOM 0 HA SER A 122 10.914 -13.094 -27.080 1.00 0.00 H new ATOM 0 HB2 SER A 122 8.665 -13.174 -26.026 1.00 0.00 H new ATOM 0 HB3 SER A 122 8.102 -11.893 -27.081 1.00 0.00 H new ATOM 0 HG SER A 122 7.559 -14.006 -27.898 1.00 0.00 H new ATOM 733 N SER A 123 9.755 -10.536 -28.851 1.00 0.00 N ATOM 734 CA SER A 123 9.835 -9.908 -30.164 1.00 0.00 C ATOM 735 C SER A 123 11.286 -9.851 -30.623 1.00 0.00 C ATOM 736 O SER A 123 11.591 -10.140 -31.779 1.00 0.00 O ATOM 737 CB SER A 123 9.276 -8.485 -30.079 1.00 0.00 C ATOM 738 OG SER A 123 10.041 -7.741 -29.140 1.00 0.00 O ATOM 0 H SER A 123 9.181 -10.036 -28.171 1.00 0.00 H new ATOM 0 HA SER A 123 9.254 -10.492 -30.878 1.00 0.00 H new ATOM 0 HB2 SER A 123 9.314 -8.007 -31.058 1.00 0.00 H new ATOM 0 HB3 SER A 123 8.229 -8.509 -29.776 1.00 0.00 H new ATOM 0 HG SER A 123 10.257 -8.309 -28.371 1.00 0.00 H new ATOM 744 N LEU A 124 12.179 -9.498 -29.706 1.00 0.00 N ATOM 745 CA LEU A 124 13.598 -9.429 -30.030 1.00 0.00 C ATOM 746 C LEU A 124 14.154 -10.829 -30.291 1.00 0.00 C ATOM 747 O LEU A 124 14.942 -11.033 -31.209 1.00 0.00 O ATOM 748 CB LEU A 124 14.367 -8.786 -28.874 1.00 0.00 C ATOM 749 CG LEU A 124 15.784 -8.430 -29.337 1.00 0.00 C ATOM 750 CD1 LEU A 124 15.779 -7.049 -29.998 1.00 0.00 C ATOM 751 CD2 LEU A 124 16.721 -8.412 -28.135 1.00 0.00 C ATOM 0 H LEU A 124 11.949 -9.257 -28.742 1.00 0.00 H new ATOM 0 HA LEU A 124 13.718 -8.824 -30.929 1.00 0.00 H new ATOM 0 HB2 LEU A 124 13.849 -7.890 -28.533 1.00 0.00 H new ATOM 0 HB3 LEU A 124 14.411 -9.471 -28.027 1.00 0.00 H new ATOM 0 HG LEU A 124 16.126 -9.174 -30.056 1.00 0.00 H new ATOM 0 HD11 LEU A 124 16.788 -6.799 -30.326 1.00 0.00 H new ATOM 0 HD12 LEU A 124 15.110 -7.060 -30.858 1.00 0.00 H new ATOM 0 HD13 LEU A 124 15.435 -6.304 -29.281 1.00 0.00 H new ATOM 0 HD21 LEU A 124 17.729 -8.159 -28.463 1.00 0.00 H new ATOM 0 HD22 LEU A 124 16.376 -7.669 -27.416 1.00 0.00 H new ATOM 0 HD23 LEU A 124 16.729 -9.395 -27.665 1.00 0.00 H new ATOM 763 N ALA A 125 13.735 -11.790 -29.475 1.00 0.00 N ATOM 764 CA ALA A 125 14.202 -13.163 -29.624 1.00 0.00 C ATOM 765 C ALA A 125 13.878 -13.683 -31.020 1.00 0.00 C ATOM 766 O ALA A 125 14.642 -14.455 -31.598 1.00 0.00 O ATOM 767 CB ALA A 125 13.539 -14.059 -28.570 1.00 0.00 C ATOM 0 H ALA A 125 13.077 -11.645 -28.709 1.00 0.00 H new ATOM 0 HA ALA A 125 15.283 -13.182 -29.482 1.00 0.00 H new ATOM 0 HB1 ALA A 125 13.893 -15.083 -28.688 1.00 0.00 H new ATOM 0 HB2 ALA A 125 13.795 -13.699 -27.573 1.00 0.00 H new ATOM 0 HB3 ALA A 125 12.457 -14.032 -28.698 1.00 0.00 H new ATOM 773 N ASN A 126 12.742 -13.248 -31.557 1.00 0.00 N ATOM 774 CA ASN A 126 12.329 -13.665 -32.892 1.00 0.00 C ATOM 775 C ASN A 126 13.176 -12.973 -33.953 1.00 0.00 C ATOM 776 O ASN A 126 13.608 -13.595 -34.916 1.00 0.00 O ATOM 777 CB ASN A 126 10.851 -13.341 -33.110 1.00 0.00 C ATOM 778 CG ASN A 126 10.392 -13.886 -34.456 1.00 0.00 C ATOM 779 OD1 ASN A 126 11.203 -14.057 -35.367 1.00 0.00 O ATOM 780 ND2 ASN A 126 9.134 -14.175 -34.636 1.00 0.00 N ATOM 0 H ASN A 126 12.095 -12.611 -31.092 1.00 0.00 H new ATOM 0 HA ASN A 126 12.474 -14.742 -32.979 1.00 0.00 H new ATOM 0 HB2 ASN A 126 10.253 -13.776 -32.309 1.00 0.00 H new ATOM 0 HB3 ASN A 126 10.697 -12.263 -33.073 1.00 0.00 H new ATOM 0 HD21 ASN A 126 8.819 -14.544 -35.533 1.00 0.00 H new ATOM 0 HD22 ASN A 126 8.465 -14.032 -33.880 1.00 0.00 H new ATOM 787 N TYR A 127 13.408 -11.680 -33.764 1.00 0.00 N ATOM 788 CA TYR A 127 14.207 -10.912 -34.710 1.00 0.00 C ATOM 789 C TYR A 127 15.606 -11.504 -34.826 1.00 0.00 C ATOM 790 O TYR A 127 16.109 -11.722 -35.928 1.00 0.00 O ATOM 791 CB TYR A 127 14.303 -9.454 -34.252 1.00 0.00 C ATOM 792 CG TYR A 127 15.483 -8.792 -34.926 1.00 0.00 C ATOM 793 CD1 TYR A 127 15.577 -8.777 -36.322 1.00 0.00 C ATOM 794 CD2 TYR A 127 16.485 -8.191 -34.150 1.00 0.00 C ATOM 795 CE1 TYR A 127 16.673 -8.165 -36.942 1.00 0.00 C ATOM 796 CE2 TYR A 127 17.579 -7.578 -34.770 1.00 0.00 C ATOM 797 CZ TYR A 127 17.673 -7.564 -36.167 1.00 0.00 C ATOM 798 OH TYR A 127 18.751 -6.958 -36.779 1.00 0.00 O ATOM 0 H TYR A 127 13.057 -11.144 -32.970 1.00 0.00 H new ATOM 0 HA TYR A 127 13.723 -10.953 -35.686 1.00 0.00 H new ATOM 0 HB2 TYR A 127 13.384 -8.923 -34.499 1.00 0.00 H new ATOM 0 HB3 TYR A 127 14.416 -9.408 -33.169 1.00 0.00 H new ATOM 0 HD1 TYR A 127 14.805 -9.237 -36.921 1.00 0.00 H new ATOM 0 HD2 TYR A 127 16.412 -8.202 -33.073 1.00 0.00 H new ATOM 0 HE1 TYR A 127 16.747 -8.156 -38.019 1.00 0.00 H new ATOM 0 HE2 TYR A 127 18.350 -7.116 -34.172 1.00 0.00 H new ATOM 0 HH TYR A 127 19.350 -6.590 -36.096 1.00 0.00 H new ATOM 808 N LEU A 128 16.234 -11.756 -33.682 1.00 0.00 N ATOM 809 CA LEU A 128 17.582 -12.314 -33.675 1.00 0.00 C ATOM 810 C LEU A 128 17.595 -13.698 -34.315 1.00 0.00 C ATOM 811 O LEU A 128 18.445 -14.000 -35.150 1.00 0.00 O ATOM 812 CB LEU A 128 18.084 -12.418 -32.230 1.00 0.00 C ATOM 813 CG LEU A 128 18.143 -11.022 -31.605 1.00 0.00 C ATOM 814 CD1 LEU A 128 18.571 -11.134 -30.143 1.00 0.00 C ATOM 815 CD2 LEU A 128 19.142 -10.155 -32.364 1.00 0.00 C ATOM 0 H LEU A 128 15.837 -11.585 -32.758 1.00 0.00 H new ATOM 0 HA LEU A 128 18.234 -11.656 -34.250 1.00 0.00 H new ATOM 0 HB2 LEU A 128 17.421 -13.060 -31.649 1.00 0.00 H new ATOM 0 HB3 LEU A 128 19.072 -12.879 -32.210 1.00 0.00 H new ATOM 0 HG LEU A 128 17.156 -10.563 -31.661 1.00 0.00 H new ATOM 0 HD11 LEU A 128 18.613 -10.139 -29.699 1.00 0.00 H new ATOM 0 HD12 LEU A 128 17.851 -11.745 -29.599 1.00 0.00 H new ATOM 0 HD13 LEU A 128 19.556 -11.598 -30.087 1.00 0.00 H new ATOM 0 HD21 LEU A 128 19.179 -9.163 -31.914 1.00 0.00 H new ATOM 0 HD22 LEU A 128 20.130 -10.612 -32.316 1.00 0.00 H new ATOM 0 HD23 LEU A 128 18.832 -10.069 -33.405 1.00 0.00 H new ATOM 827 N HIS A 129 16.635 -14.526 -33.928 1.00 0.00 N ATOM 828 CA HIS A 129 16.529 -15.873 -34.478 1.00 0.00 C ATOM 829 C HIS A 129 16.254 -15.823 -35.979 1.00 0.00 C ATOM 830 O HIS A 129 16.768 -16.636 -36.744 1.00 0.00 O ATOM 831 CB HIS A 129 15.412 -16.647 -33.778 1.00 0.00 C ATOM 832 CG HIS A 129 15.306 -18.023 -34.376 1.00 0.00 C ATOM 833 ND1 HIS A 129 16.277 -18.994 -34.181 1.00 0.00 N ATOM 834 CD2 HIS A 129 14.347 -18.608 -35.166 1.00 0.00 C ATOM 835 CE1 HIS A 129 15.884 -20.099 -34.838 1.00 0.00 C ATOM 836 NE2 HIS A 129 14.714 -19.919 -35.457 1.00 0.00 N ATOM 0 H HIS A 129 15.921 -14.292 -33.239 1.00 0.00 H new ATOM 0 HA HIS A 129 17.478 -16.382 -34.310 1.00 0.00 H new ATOM 0 HB2 HIS A 129 15.618 -16.718 -32.710 1.00 0.00 H new ATOM 0 HB3 HIS A 129 14.465 -16.118 -33.886 1.00 0.00 H new ATOM 0 HD2 HIS A 129 13.445 -18.124 -35.510 1.00 0.00 H new ATOM 0 HE1 HIS A 129 16.446 -21.021 -34.862 1.00 0.00 H new ATOM 0 HE2 HIS A 129 14.200 -20.596 -36.021 1.00 0.00 H new ATOM 845 N LYS A 130 15.430 -14.869 -36.388 1.00 0.00 N ATOM 846 CA LYS A 130 15.077 -14.721 -37.793 1.00 0.00 C ATOM 847 C LYS A 130 16.314 -14.421 -38.632 1.00 0.00 C ATOM 848 O LYS A 130 16.473 -14.955 -39.729 1.00 0.00 O ATOM 849 CB LYS A 130 14.066 -13.589 -37.958 1.00 0.00 C ATOM 850 CG LYS A 130 13.527 -13.584 -39.396 1.00 0.00 C ATOM 851 CD LYS A 130 12.689 -12.325 -39.637 1.00 0.00 C ATOM 852 CE LYS A 130 11.347 -12.440 -38.909 1.00 0.00 C ATOM 853 NZ LYS A 130 10.478 -11.298 -39.289 1.00 0.00 N ATOM 0 H LYS A 130 14.994 -14.187 -35.768 1.00 0.00 H new ATOM 0 HA LYS A 130 14.638 -15.658 -38.136 1.00 0.00 H new ATOM 0 HB2 LYS A 130 13.245 -13.715 -37.252 1.00 0.00 H new ATOM 0 HB3 LYS A 130 14.536 -12.632 -37.732 1.00 0.00 H new ATOM 0 HG2 LYS A 130 14.355 -13.620 -40.104 1.00 0.00 H new ATOM 0 HG3 LYS A 130 12.921 -14.473 -39.569 1.00 0.00 H new ATOM 0 HD2 LYS A 130 13.229 -11.446 -39.284 1.00 0.00 H new ATOM 0 HD3 LYS A 130 12.522 -12.189 -40.705 1.00 0.00 H new ATOM 0 HE2 LYS A 130 10.861 -13.381 -39.166 1.00 0.00 H new ATOM 0 HE3 LYS A 130 11.506 -12.447 -37.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 9.566 -11.376 -38.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 10.941 -10.406 -39.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 10.317 -11.311 -40.316 1.00 0.00 H new ATOM 867 N ASN A 131 17.180 -13.557 -38.116 1.00 0.00 N ATOM 868 CA ASN A 131 18.393 -13.186 -38.838 1.00 0.00 C ATOM 869 C ASN A 131 19.379 -14.349 -38.857 1.00 0.00 C ATOM 870 O ASN A 131 20.361 -14.329 -39.596 1.00 0.00 O ATOM 871 CB ASN A 131 19.045 -11.975 -38.168 1.00 0.00 C ATOM 872 CG ASN A 131 18.186 -10.733 -38.386 1.00 0.00 C ATOM 873 OD1 ASN A 131 17.116 -10.605 -37.791 1.00 0.00 O ATOM 874 ND2 ASN A 131 18.598 -9.800 -39.200 1.00 0.00 N ATOM 0 H ASN A 131 17.068 -13.103 -37.209 1.00 0.00 H new ATOM 0 HA ASN A 131 18.124 -12.935 -39.864 1.00 0.00 H new ATOM 0 HB2 ASN A 131 19.166 -12.161 -37.101 1.00 0.00 H new ATOM 0 HB3 ASN A 131 20.042 -11.815 -38.579 1.00 0.00 H new ATOM 0 HD21 ASN A 131 18.033 -8.963 -39.344 1.00 0.00 H new ATOM 0 HD22 ASN A 131 19.485 -9.908 -39.692 1.00 0.00 H new ATOM 881 N GLY A 132 19.103 -15.363 -38.046 1.00 0.00 N ATOM 882 CA GLY A 132 19.969 -16.534 -37.981 1.00 0.00 C ATOM 883 C GLY A 132 21.042 -16.357 -36.917 1.00 0.00 C ATOM 884 O GLY A 132 21.751 -17.305 -36.573 1.00 0.00 O ATOM 0 H GLY A 132 18.292 -15.399 -37.428 1.00 0.00 H new ATOM 0 HA2 GLY A 132 19.374 -17.420 -37.759 1.00 0.00 H new ATOM 0 HA3 GLY A 132 20.437 -16.699 -38.951 1.00 0.00 H new ATOM 888 N GLU A 133 21.158 -15.140 -36.393 1.00 0.00 N ATOM 889 CA GLU A 133 22.149 -14.859 -35.363 1.00 0.00 C ATOM 890 C GLU A 133 21.521 -14.968 -33.978 1.00 0.00 C ATOM 891 O GLU A 133 20.710 -14.129 -33.587 1.00 0.00 O ATOM 892 CB GLU A 133 22.719 -13.451 -35.561 1.00 0.00 C ATOM 893 CG GLU A 133 23.824 -13.195 -34.534 1.00 0.00 C ATOM 894 CD GLU A 133 24.438 -11.818 -34.761 1.00 0.00 C ATOM 895 OE1 GLU A 133 23.951 -11.109 -35.627 1.00 0.00 O ATOM 896 OE2 GLU A 133 25.388 -11.495 -34.067 1.00 0.00 O ATOM 0 H GLU A 133 20.584 -14.341 -36.662 1.00 0.00 H new ATOM 0 HA GLU A 133 22.953 -15.590 -35.444 1.00 0.00 H new ATOM 0 HB2 GLU A 133 23.116 -13.347 -36.571 1.00 0.00 H new ATOM 0 HB3 GLU A 133 21.928 -12.709 -35.452 1.00 0.00 H new ATOM 0 HG2 GLU A 133 23.416 -13.259 -33.525 1.00 0.00 H new ATOM 0 HG3 GLU A 133 24.593 -13.963 -34.616 1.00 0.00 H new ATOM 903 N THR A 134 21.907 -16.003 -33.239 1.00 0.00 N ATOM 904 CA THR A 134 21.377 -16.210 -31.895 1.00 0.00 C ATOM 905 C THR A 134 22.391 -15.768 -30.846 1.00 0.00 C ATOM 906 O THR A 134 22.136 -15.859 -29.645 1.00 0.00 O ATOM 907 CB THR A 134 21.033 -17.685 -31.692 1.00 0.00 C ATOM 908 OG1 THR A 134 22.211 -18.469 -31.831 1.00 0.00 O ATOM 909 CG2 THR A 134 20.004 -18.120 -32.736 1.00 0.00 C ATOM 0 H THR A 134 22.579 -16.707 -33.544 1.00 0.00 H new ATOM 0 HA THR A 134 20.474 -15.610 -31.783 1.00 0.00 H new ATOM 0 HB THR A 134 20.617 -17.826 -30.694 1.00 0.00 H new ATOM 0 HG1 THR A 134 21.992 -19.415 -31.699 1.00 0.00 H new ATOM 0 HG21 THR A 134 19.760 -19.172 -32.590 1.00 0.00 H new ATOM 0 HG22 THR A 134 19.101 -17.520 -32.629 1.00 0.00 H new ATOM 0 HG23 THR A 134 20.417 -17.979 -33.735 1.00 0.00 H new ATOM 917 N SER A 135 23.542 -15.284 -31.306 1.00 0.00 N ATOM 918 CA SER A 135 24.585 -14.828 -30.395 1.00 0.00 C ATOM 919 C SER A 135 24.084 -13.660 -29.553 1.00 0.00 C ATOM 920 O SER A 135 24.366 -13.578 -28.357 1.00 0.00 O ATOM 921 CB SER A 135 25.821 -14.401 -31.189 1.00 0.00 C ATOM 922 OG SER A 135 26.404 -15.543 -31.801 1.00 0.00 O ATOM 0 H SER A 135 23.774 -15.198 -32.296 1.00 0.00 H new ATOM 0 HA SER A 135 24.850 -15.651 -29.731 1.00 0.00 H new ATOM 0 HB2 SER A 135 25.545 -13.669 -31.948 1.00 0.00 H new ATOM 0 HB3 SER A 135 26.543 -13.920 -30.529 1.00 0.00 H new ATOM 0 HG SER A 135 27.195 -15.272 -32.312 1.00 0.00 H new ATOM 928 N LEU A 136 23.341 -12.760 -30.185 1.00 0.00 N ATOM 929 CA LEU A 136 22.809 -11.601 -29.482 1.00 0.00 C ATOM 930 C LEU A 136 21.758 -12.026 -28.475 1.00 0.00 C ATOM 931 O LEU A 136 20.985 -12.951 -28.732 1.00 0.00 O ATOM 932 CB LEU A 136 22.194 -10.618 -30.484 1.00 0.00 C ATOM 933 CG LEU A 136 23.257 -9.613 -30.943 1.00 0.00 C ATOM 934 CD1 LEU A 136 23.674 -8.718 -29.769 1.00 0.00 C ATOM 935 CD2 LEU A 136 24.482 -10.377 -31.463 1.00 0.00 C ATOM 0 H LEU A 136 23.095 -12.809 -31.174 1.00 0.00 H new ATOM 0 HA LEU A 136 23.627 -11.113 -28.952 1.00 0.00 H new ATOM 0 HB2 LEU A 136 21.798 -11.160 -31.343 1.00 0.00 H new ATOM 0 HB3 LEU A 136 21.357 -10.092 -30.025 1.00 0.00 H new ATOM 0 HG LEU A 136 22.845 -8.990 -31.737 1.00 0.00 H new ATOM 0 HD11 LEU A 136 24.429 -8.007 -30.104 1.00 0.00 H new ATOM 0 HD12 LEU A 136 22.804 -8.176 -29.398 1.00 0.00 H new ATOM 0 HD13 LEU A 136 24.085 -9.335 -28.970 1.00 0.00 H new ATOM 0 HD21 LEU A 136 25.241 -9.667 -31.791 1.00 0.00 H new ATOM 0 HD22 LEU A 136 24.888 -11.000 -30.666 1.00 0.00 H new ATOM 0 HD23 LEU A 136 24.188 -11.007 -32.302 1.00 0.00 H new ATOM 947 N LYS A 137 21.737 -11.348 -27.326 1.00 0.00 N ATOM 948 CA LYS A 137 20.780 -11.672 -26.289 1.00 0.00 C ATOM 949 C LYS A 137 19.999 -10.427 -25.860 1.00 0.00 C ATOM 950 O LYS A 137 20.540 -9.319 -25.855 1.00 0.00 O ATOM 951 CB LYS A 137 21.500 -12.269 -25.080 1.00 0.00 C ATOM 952 CG LYS A 137 22.536 -11.275 -24.557 1.00 0.00 C ATOM 953 CD LYS A 137 23.676 -12.035 -23.877 1.00 0.00 C ATOM 954 CE LYS A 137 23.136 -12.805 -22.671 1.00 0.00 C ATOM 955 NZ LYS A 137 24.262 -13.484 -21.973 1.00 0.00 N ATOM 0 H LYS A 137 22.369 -10.580 -27.100 1.00 0.00 H new ATOM 0 HA LYS A 137 20.077 -12.402 -26.690 1.00 0.00 H new ATOM 0 HB2 LYS A 137 20.781 -12.506 -24.296 1.00 0.00 H new ATOM 0 HB3 LYS A 137 21.987 -13.204 -25.359 1.00 0.00 H new ATOM 0 HG2 LYS A 137 22.925 -10.673 -25.378 1.00 0.00 H new ATOM 0 HG3 LYS A 137 22.071 -10.587 -23.851 1.00 0.00 H new ATOM 0 HD2 LYS A 137 24.138 -12.725 -24.583 1.00 0.00 H new ATOM 0 HD3 LYS A 137 24.451 -11.338 -23.558 1.00 0.00 H new ATOM 0 HE2 LYS A 137 22.628 -12.124 -21.988 1.00 0.00 H new ATOM 0 HE3 LYS A 137 22.399 -13.539 -22.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 23.896 -14.008 -21.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 24.727 -14.145 -22.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 24.950 -12.774 -21.651 1.00 0.00 H new ATOM 969 N PRO A 138 18.752 -10.587 -25.498 1.00 0.00 N ATOM 970 CA PRO A 138 17.889 -9.455 -25.055 1.00 0.00 C ATOM 971 C PRO A 138 18.346 -8.854 -23.731 1.00 0.00 C ATOM 972 O PRO A 138 18.040 -7.708 -23.418 1.00 0.00 O ATOM 973 CB PRO A 138 16.499 -10.088 -24.928 1.00 0.00 C ATOM 974 CG PRO A 138 16.736 -11.547 -24.741 1.00 0.00 C ATOM 975 CD PRO A 138 18.024 -11.867 -25.470 1.00 0.00 C ATOM 0 HA PRO A 138 17.919 -8.621 -25.756 1.00 0.00 H new ATOM 0 HB2 PRO A 138 15.953 -9.668 -24.083 1.00 0.00 H new ATOM 0 HB3 PRO A 138 15.900 -9.900 -25.819 1.00 0.00 H new ATOM 0 HG2 PRO A 138 16.817 -11.795 -23.683 1.00 0.00 H new ATOM 0 HG3 PRO A 138 15.907 -12.130 -25.143 1.00 0.00 H new ATOM 0 HD2 PRO A 138 18.594 -12.638 -24.951 1.00 0.00 H new ATOM 0 HD3 PRO A 138 17.830 -12.237 -26.477 1.00 0.00 H new ATOM 983 N GLU A 139 19.077 -9.638 -22.959 1.00 0.00 N ATOM 984 CA GLU A 139 19.569 -9.173 -21.668 1.00 0.00 C ATOM 985 C GLU A 139 20.584 -8.048 -21.858 1.00 0.00 C ATOM 986 O GLU A 139 21.026 -7.420 -20.896 1.00 0.00 O ATOM 987 CB GLU A 139 20.222 -10.331 -20.909 1.00 0.00 C ATOM 988 CG GLU A 139 20.241 -10.020 -19.410 1.00 0.00 C ATOM 989 CD GLU A 139 18.829 -10.113 -18.843 1.00 0.00 C ATOM 990 OE1 GLU A 139 17.961 -10.604 -19.547 1.00 0.00 O ATOM 991 OE2 GLU A 139 18.636 -9.692 -17.715 1.00 0.00 O ATOM 0 H GLU A 139 19.343 -10.593 -23.198 1.00 0.00 H new ATOM 0 HA GLU A 139 18.725 -8.794 -21.092 1.00 0.00 H new ATOM 0 HB2 GLU A 139 19.672 -11.254 -21.092 1.00 0.00 H new ATOM 0 HB3 GLU A 139 21.238 -10.488 -21.270 1.00 0.00 H new ATOM 0 HG2 GLU A 139 20.897 -10.720 -18.893 1.00 0.00 H new ATOM 0 HG3 GLU A 139 20.645 -9.022 -19.242 1.00 0.00 H new ATOM 998 N ASP A 140 20.953 -7.797 -23.110 1.00 0.00 N ATOM 999 CA ASP A 140 21.913 -6.742 -23.412 1.00 0.00 C ATOM 1000 C ASP A 140 21.283 -5.367 -23.219 1.00 0.00 C ATOM 1001 O ASP A 140 21.969 -4.409 -22.861 1.00 0.00 O ATOM 1002 CB ASP A 140 22.408 -6.883 -24.853 1.00 0.00 C ATOM 1003 CG ASP A 140 21.240 -6.755 -25.821 1.00 0.00 C ATOM 1004 OD1 ASP A 140 20.114 -6.763 -25.359 1.00 0.00 O ATOM 1005 OD2 ASP A 140 21.488 -6.644 -27.010 1.00 0.00 O ATOM 0 H ASP A 140 20.606 -8.304 -23.924 1.00 0.00 H new ATOM 0 HA ASP A 140 22.756 -6.839 -22.727 1.00 0.00 H new ATOM 0 HB2 ASP A 140 23.153 -6.117 -25.067 1.00 0.00 H new ATOM 0 HB3 ASP A 140 22.896 -7.848 -24.985 1.00 0.00 H new ATOM 1010 N PHE A 141 19.975 -5.273 -23.463 1.00 0.00 N ATOM 1011 CA PHE A 141 19.274 -4.003 -23.316 1.00 0.00 C ATOM 1012 C PHE A 141 18.423 -4.019 -22.051 1.00 0.00 C ATOM 1013 O PHE A 141 17.590 -4.908 -21.865 1.00 0.00 O ATOM 1014 CB PHE A 141 18.378 -3.753 -24.532 1.00 0.00 C ATOM 1015 CG PHE A 141 17.090 -4.528 -24.382 1.00 0.00 C ATOM 1016 CD1 PHE A 141 16.992 -5.836 -24.866 1.00 0.00 C ATOM 1017 CD2 PHE A 141 15.991 -3.934 -23.753 1.00 0.00 C ATOM 1018 CE1 PHE A 141 15.796 -6.550 -24.718 1.00 0.00 C ATOM 1019 CE2 PHE A 141 14.797 -4.646 -23.608 1.00 0.00 C ATOM 1020 CZ PHE A 141 14.700 -5.955 -24.088 1.00 0.00 C ATOM 0 H PHE A 141 19.388 -6.053 -23.760 1.00 0.00 H new ATOM 0 HA PHE A 141 20.011 -3.204 -23.243 1.00 0.00 H new ATOM 0 HB2 PHE A 141 18.164 -2.688 -24.626 1.00 0.00 H new ATOM 0 HB3 PHE A 141 18.892 -4.057 -25.444 1.00 0.00 H new ATOM 0 HD1 PHE A 141 17.839 -6.296 -25.354 1.00 0.00 H new ATOM 0 HD2 PHE A 141 16.065 -2.924 -23.379 1.00 0.00 H new ATOM 0 HE1 PHE A 141 15.721 -7.561 -25.091 1.00 0.00 H new ATOM 0 HE2 PHE A 141 13.949 -4.184 -23.125 1.00 0.00 H new ATOM 0 HZ PHE A 141 13.779 -6.506 -23.972 1.00 0.00 H new ATOM 1030 N ASP A 142 18.637 -3.033 -21.185 1.00 0.00 N ATOM 1031 CA ASP A 142 17.880 -2.940 -19.941 1.00 0.00 C ATOM 1032 C ASP A 142 17.125 -1.615 -19.871 1.00 0.00 C ATOM 1033 O ASP A 142 17.703 -0.550 -20.090 1.00 0.00 O ATOM 1034 CB ASP A 142 18.824 -3.059 -18.745 1.00 0.00 C ATOM 1035 CG ASP A 142 19.582 -4.382 -18.813 1.00 0.00 C ATOM 1036 OD1 ASP A 142 18.950 -5.392 -19.077 1.00 0.00 O ATOM 1037 OD2 ASP A 142 20.782 -4.365 -18.598 1.00 0.00 O ATOM 0 H ASP A 142 19.324 -2.291 -21.320 1.00 0.00 H new ATOM 0 HA ASP A 142 17.158 -3.757 -19.914 1.00 0.00 H new ATOM 0 HB2 ASP A 142 19.527 -2.226 -18.741 1.00 0.00 H new ATOM 0 HB3 ASP A 142 18.257 -3.002 -17.816 1.00 0.00 H new ATOM 1042 N PHE A 143 15.835 -1.687 -19.562 1.00 0.00 N ATOM 1043 CA PHE A 143 15.018 -0.485 -19.462 1.00 0.00 C ATOM 1044 C PHE A 143 15.597 0.474 -18.425 1.00 0.00 C ATOM 1045 O PHE A 143 16.642 1.083 -18.645 1.00 0.00 O ATOM 1046 CB PHE A 143 13.586 -0.857 -19.069 1.00 0.00 C ATOM 1047 CG PHE A 143 12.900 -1.522 -20.238 1.00 0.00 C ATOM 1048 CD1 PHE A 143 12.378 -0.743 -21.277 1.00 0.00 C ATOM 1049 CD2 PHE A 143 12.787 -2.916 -20.283 1.00 0.00 C ATOM 1050 CE1 PHE A 143 11.743 -1.358 -22.363 1.00 0.00 C ATOM 1051 CE2 PHE A 143 12.150 -3.531 -21.368 1.00 0.00 C ATOM 1052 CZ PHE A 143 11.628 -2.752 -22.408 1.00 0.00 C ATOM 0 H PHE A 143 15.336 -2.558 -19.378 1.00 0.00 H new ATOM 0 HA PHE A 143 15.013 0.008 -20.434 1.00 0.00 H new ATOM 0 HB2 PHE A 143 13.596 -1.528 -18.210 1.00 0.00 H new ATOM 0 HB3 PHE A 143 13.036 0.035 -18.770 1.00 0.00 H new ATOM 0 HD1 PHE A 143 12.465 0.333 -21.241 1.00 0.00 H new ATOM 0 HD2 PHE A 143 13.191 -3.517 -19.482 1.00 0.00 H new ATOM 0 HE1 PHE A 143 11.342 -0.757 -23.166 1.00 0.00 H new ATOM 0 HE2 PHE A 143 12.061 -4.607 -21.403 1.00 0.00 H new ATOM 0 HZ PHE A 143 11.137 -3.227 -23.245 1.00 0.00 H new