USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=12 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 127 TYR OH : rot 180:sc= -0.38 USER MOD Set 1.2: A 131 ASN : amide:sc= -9.66! C(o=-10!,f=-25!) USER MOD Set 2.1: A 120 SER OG : rot -118:sc= 0.577 USER MOD Set 2.2: A 122 SER OG : rot 180:sc= 0.163 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= -0.0341 X(o=-0.034,f=-0.42) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= -0.33 USER MOD Single : A 112 SER OG : rot -101:sc= 0.246 USER MOD Single : A 114 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.21) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -32:sc= 0.509 USER MOD Single : A 126 ASN : amide:sc= -0.0201 K(o=-0.02,f=-1.5!) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 LYS NZ :NH3+ -117:sc= -1.15 (180deg=-3.35!) 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+ -163:sc= -0.0222 (180deg=-0.448) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 87 24.209 -0.752 -24.334 1.00 0.00 N ATOM 135 CA PRO A 87 25.124 -1.463 -25.275 1.00 0.00 C ATOM 136 C PRO A 87 25.366 -0.661 -26.551 1.00 0.00 C ATOM 137 O PRO A 87 24.452 -0.028 -27.084 1.00 0.00 O ATOM 138 CB PRO A 87 24.375 -2.764 -25.587 1.00 0.00 C ATOM 139 CG PRO A 87 23.461 -2.978 -24.429 1.00 0.00 C ATOM 140 CD PRO A 87 23.059 -1.584 -23.954 1.00 0.00 C ATOM 0 HA PRO A 87 26.113 -1.624 -24.846 1.00 0.00 H new ATOM 0 HB2 PRO A 87 23.816 -2.683 -26.519 1.00 0.00 H new ATOM 0 HB3 PRO A 87 25.067 -3.598 -25.702 1.00 0.00 H new ATOM 0 HG2 PRO A 87 22.586 -3.558 -24.723 1.00 0.00 H new ATOM 0 HG3 PRO A 87 23.960 -3.533 -23.635 1.00 0.00 H new ATOM 0 HD2 PRO A 87 22.141 -1.245 -24.434 1.00 0.00 H new ATOM 0 HD3 PRO A 87 22.884 -1.561 -22.878 1.00 0.00 H new ATOM 148 N CYS A 88 26.603 -0.686 -27.033 1.00 0.00 N ATOM 149 CA CYS A 88 26.959 0.045 -28.242 1.00 0.00 C ATOM 150 C CYS A 88 26.395 -0.652 -29.476 1.00 0.00 C ATOM 151 O CYS A 88 26.304 -1.877 -29.520 1.00 0.00 O ATOM 152 CB CYS A 88 28.481 0.150 -28.361 1.00 0.00 C ATOM 153 SG CYS A 88 29.122 1.198 -27.034 1.00 0.00 S ATOM 0 H CYS A 88 27.373 -1.202 -26.607 1.00 0.00 H new ATOM 0 HA CYS A 88 26.531 1.046 -28.178 1.00 0.00 H new ATOM 0 HB2 CYS A 88 28.930 -0.842 -28.304 1.00 0.00 H new ATOM 0 HB3 CYS A 88 28.752 0.567 -29.331 1.00 0.00 H new ATOM 0 HG CYS A 88 30.415 1.284 -27.135 1.00 0.00 H new ATOM 159 N GLY A 89 26.023 0.139 -30.477 1.00 0.00 N ATOM 160 CA GLY A 89 25.475 -0.410 -31.712 1.00 0.00 C ATOM 161 C GLY A 89 23.955 -0.333 -31.716 1.00 0.00 C ATOM 162 O GLY A 89 23.324 -0.376 -32.771 1.00 0.00 O ATOM 0 H GLY A 89 26.090 1.157 -30.458 1.00 0.00 H new ATOM 0 HA2 GLY A 89 25.873 0.138 -32.566 1.00 0.00 H new ATOM 0 HA3 GLY A 89 25.790 -1.447 -31.824 1.00 0.00 H new ATOM 166 N TRP A 90 23.370 -0.215 -30.529 1.00 0.00 N ATOM 167 CA TRP A 90 21.920 -0.124 -30.400 1.00 0.00 C ATOM 168 C TRP A 90 21.482 1.327 -30.261 1.00 0.00 C ATOM 169 O TRP A 90 22.290 2.198 -29.936 1.00 0.00 O ATOM 170 CB TRP A 90 21.446 -0.922 -29.184 1.00 0.00 C ATOM 171 CG TRP A 90 21.364 -2.373 -29.536 1.00 0.00 C ATOM 172 CD1 TRP A 90 22.053 -2.975 -30.531 1.00 0.00 C ATOM 173 CD2 TRP A 90 20.548 -3.412 -28.921 1.00 0.00 C ATOM 174 NE1 TRP A 90 21.718 -4.314 -30.564 1.00 0.00 N ATOM 175 CE2 TRP A 90 20.794 -4.633 -29.590 1.00 0.00 C ATOM 176 CE3 TRP A 90 19.629 -3.413 -27.857 1.00 0.00 C ATOM 177 CZ2 TRP A 90 20.151 -5.814 -29.219 1.00 0.00 C ATOM 178 CZ3 TRP A 90 18.980 -4.600 -27.478 1.00 0.00 C ATOM 179 CH2 TRP A 90 19.240 -5.798 -28.159 1.00 0.00 C ATOM 0 H TRP A 90 23.876 -0.180 -29.644 1.00 0.00 H new ATOM 0 HA TRP A 90 21.472 -0.541 -31.302 1.00 0.00 H new ATOM 0 HB2 TRP A 90 22.134 -0.778 -28.351 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.471 -0.561 -28.857 1.00 0.00 H new ATOM 0 HD1 TRP A 90 22.753 -2.487 -31.193 1.00 0.00 H new ATOM 0 HE1 TRP A 90 22.106 -4.985 -31.227 1.00 0.00 H new ATOM 0 HE3 TRP A 90 19.421 -2.495 -27.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 20.356 -6.734 -29.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 18.277 -4.590 -26.658 1.00 0.00 H new ATOM 0 HH2 TRP A 90 18.737 -6.707 -27.865 1.00 0.00 H new ATOM 190 N GLU A 91 20.198 1.582 -30.506 1.00 0.00 N ATOM 191 CA GLU A 91 19.662 2.935 -30.398 1.00 0.00 C ATOM 192 C GLU A 91 18.479 2.962 -29.439 1.00 0.00 C ATOM 193 O GLU A 91 17.723 1.994 -29.344 1.00 0.00 O ATOM 194 CB GLU A 91 19.219 3.433 -31.772 1.00 0.00 C ATOM 195 CG GLU A 91 20.435 3.534 -32.696 1.00 0.00 C ATOM 196 CD GLU A 91 20.709 2.184 -33.349 1.00 0.00 C ATOM 197 OE1 GLU A 91 20.094 1.215 -32.942 1.00 0.00 O ATOM 198 OE2 GLU A 91 21.533 2.139 -34.246 1.00 0.00 O ATOM 0 H GLU A 91 19.515 0.875 -30.778 1.00 0.00 H new ATOM 0 HA GLU A 91 20.445 3.588 -30.013 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.482 2.752 -32.197 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.737 4.406 -31.680 1.00 0.00 H new ATOM 0 HG2 GLU A 91 20.258 4.288 -33.463 1.00 0.00 H new ATOM 0 HG3 GLU A 91 21.308 3.856 -32.128 1.00 0.00 H new ATOM 205 N ARG A 92 18.328 4.075 -28.723 1.00 0.00 N ATOM 206 CA ARG A 92 17.233 4.214 -27.769 1.00 0.00 C ATOM 207 C ARG A 92 16.383 5.434 -28.110 1.00 0.00 C ATOM 208 O ARG A 92 16.910 6.508 -28.399 1.00 0.00 O ATOM 209 CB ARG A 92 17.789 4.361 -26.352 1.00 0.00 C ATOM 210 CG ARG A 92 18.876 3.310 -26.118 1.00 0.00 C ATOM 211 CD ARG A 92 18.990 3.011 -24.623 1.00 0.00 C ATOM 212 NE ARG A 92 17.891 2.151 -24.201 1.00 0.00 N ATOM 213 CZ ARG A 92 17.913 0.843 -24.442 1.00 0.00 C ATOM 214 NH1 ARG A 92 18.928 0.310 -25.065 1.00 0.00 N ATOM 215 NH2 ARG A 92 16.920 0.090 -24.053 1.00 0.00 N ATOM 0 H ARG A 92 18.944 4.885 -28.785 1.00 0.00 H new ATOM 0 HA ARG A 92 16.611 3.320 -27.824 1.00 0.00 H new ATOM 0 HB2 ARG A 92 18.200 5.361 -26.213 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.989 4.241 -25.622 1.00 0.00 H new ATOM 0 HG2 ARG A 92 18.637 2.397 -26.664 1.00 0.00 H new ATOM 0 HG3 ARG A 92 19.831 3.669 -26.501 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.943 2.526 -24.412 1.00 0.00 H new ATOM 0 HD3 ARG A 92 18.973 3.941 -24.055 1.00 0.00 H new ATOM 0 HE ARG A 92 17.093 2.559 -23.714 1.00 0.00 H new ATOM 0 HH11 ARG A 92 19.706 0.896 -25.368 1.00 0.00 H new ATOM 0 HH12 ARG A 92 18.944 -0.693 -25.249 1.00 0.00 H new ATOM 0 HH21 ARG A 92 16.127 0.505 -23.564 1.00 0.00 H new ATOM 0 HH22 ARG A 92 16.937 -0.913 -24.238 1.00 0.00 H new ATOM 229 N VAL A 93 15.066 5.257 -28.076 1.00 0.00 N ATOM 230 CA VAL A 93 14.142 6.343 -28.383 1.00 0.00 C ATOM 231 C VAL A 93 13.118 6.517 -27.269 1.00 0.00 C ATOM 232 O VAL A 93 12.562 5.540 -26.776 1.00 0.00 O ATOM 233 CB VAL A 93 13.421 6.060 -29.700 1.00 0.00 C ATOM 234 CG1 VAL A 93 12.278 7.061 -29.879 1.00 0.00 C ATOM 235 CG2 VAL A 93 14.408 6.207 -30.863 1.00 0.00 C ATOM 0 H VAL A 93 14.615 4.373 -27.839 1.00 0.00 H new ATOM 0 HA VAL A 93 14.719 7.264 -28.473 1.00 0.00 H new ATOM 0 HB VAL A 93 13.021 5.046 -29.685 1.00 0.00 H new ATOM 0 HG11 VAL A 93 11.763 6.861 -30.818 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.575 6.963 -29.051 1.00 0.00 H new ATOM 0 HG13 VAL A 93 12.681 8.074 -29.895 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.895 6.005 -31.803 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.805 7.222 -30.877 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.227 5.498 -30.737 1.00 0.00 H new ATOM 245 N VAL A 94 12.883 7.765 -26.877 1.00 0.00 N ATOM 246 CA VAL A 94 11.920 8.053 -25.820 1.00 0.00 C ATOM 247 C VAL A 94 10.911 9.100 -26.281 1.00 0.00 C ATOM 248 O VAL A 94 11.287 10.210 -26.659 1.00 0.00 O ATOM 249 CB VAL A 94 12.650 8.560 -24.576 1.00 0.00 C ATOM 250 CG1 VAL A 94 13.721 7.551 -24.162 1.00 0.00 C ATOM 251 CG2 VAL A 94 13.309 9.906 -24.885 1.00 0.00 C ATOM 0 H VAL A 94 13.341 8.587 -27.271 1.00 0.00 H new ATOM 0 HA VAL A 94 11.386 7.133 -25.581 1.00 0.00 H new ATOM 0 HB VAL A 94 11.935 8.682 -23.762 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.240 7.915 -23.275 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.252 6.593 -23.940 1.00 0.00 H new ATOM 0 HG13 VAL A 94 14.436 7.425 -24.975 1.00 0.00 H new ATOM 0 HG21 VAL A 94 13.830 10.268 -23.999 1.00 0.00 H new ATOM 0 HG22 VAL A 94 14.022 9.783 -25.700 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.545 10.627 -25.177 1.00 0.00 H new ATOM 261 N LYS A 95 9.635 8.739 -26.244 1.00 0.00 N ATOM 262 CA LYS A 95 8.577 9.657 -26.657 1.00 0.00 C ATOM 263 C LYS A 95 7.471 9.707 -25.606 1.00 0.00 C ATOM 264 O LYS A 95 6.953 8.674 -25.186 1.00 0.00 O ATOM 265 CB LYS A 95 7.988 9.212 -27.996 1.00 0.00 C ATOM 266 CG LYS A 95 7.905 7.685 -28.037 1.00 0.00 C ATOM 267 CD LYS A 95 6.753 7.256 -28.948 1.00 0.00 C ATOM 268 CE LYS A 95 7.034 7.716 -30.380 1.00 0.00 C ATOM 269 NZ LYS A 95 5.935 7.257 -31.274 1.00 0.00 N ATOM 0 H LYS A 95 9.307 7.824 -25.935 1.00 0.00 H new ATOM 0 HA LYS A 95 9.009 10.652 -26.764 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.996 9.644 -28.130 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.608 9.575 -28.816 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.844 7.270 -28.402 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.752 7.292 -27.032 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.637 6.173 -28.919 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.816 7.686 -28.594 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.116 8.802 -30.415 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.987 7.314 -30.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.126 7.570 -32.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.878 6.219 -31.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 5.033 7.662 -30.951 1.00 0.00 H new ATOM 283 N GLN A 96 7.122 10.917 -25.186 1.00 0.00 N ATOM 284 CA GLN A 96 6.079 11.096 -24.180 1.00 0.00 C ATOM 285 C GLN A 96 4.751 11.448 -24.845 1.00 0.00 C ATOM 286 O GLN A 96 4.720 12.170 -25.840 1.00 0.00 O ATOM 287 CB GLN A 96 6.476 12.205 -23.202 1.00 0.00 C ATOM 288 CG GLN A 96 7.196 13.322 -23.961 1.00 0.00 C ATOM 289 CD GLN A 96 7.512 14.476 -23.018 1.00 0.00 C ATOM 290 OE1 GLN A 96 6.980 15.574 -23.176 1.00 0.00 O ATOM 291 NE2 GLN A 96 8.350 14.292 -22.034 1.00 0.00 N ATOM 0 H GLN A 96 7.541 11.784 -25.523 1.00 0.00 H new ATOM 0 HA GLN A 96 5.963 10.160 -23.634 1.00 0.00 H new ATOM 0 HB2 GLN A 96 5.590 12.601 -22.706 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.125 11.803 -22.424 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.117 12.939 -24.401 1.00 0.00 H new ATOM 0 HG3 GLN A 96 6.573 13.674 -24.783 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.791 13.382 -21.903 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.564 15.059 -21.396 1.00 0.00 H new ATOM 300 N ARG A 97 3.665 10.932 -24.286 1.00 0.00 N ATOM 301 CA ARG A 97 2.333 11.199 -24.829 1.00 0.00 C ATOM 302 C ARG A 97 1.756 12.479 -24.240 1.00 0.00 C ATOM 303 O ARG A 97 1.552 12.573 -23.032 1.00 0.00 O ATOM 304 CB ARG A 97 1.401 10.028 -24.526 1.00 0.00 C ATOM 305 CG ARG A 97 1.590 8.934 -25.578 1.00 0.00 C ATOM 306 CD ARG A 97 0.814 7.685 -25.157 1.00 0.00 C ATOM 307 NE ARG A 97 1.523 6.987 -24.091 1.00 0.00 N ATOM 308 CZ ARG A 97 0.910 6.087 -23.331 1.00 0.00 C ATOM 309 NH1 ARG A 97 -0.353 5.823 -23.524 1.00 0.00 N ATOM 310 NH2 ARG A 97 1.570 5.475 -22.387 1.00 0.00 N ATOM 0 H ARG A 97 3.675 10.330 -23.463 1.00 0.00 H new ATOM 0 HA ARG A 97 2.422 11.322 -25.908 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.611 9.631 -23.533 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.365 10.367 -24.522 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.239 9.283 -26.549 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.649 8.698 -25.687 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.183 7.965 -24.818 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.685 7.022 -26.013 1.00 0.00 H new ATOM 0 HE ARG A 97 2.508 7.194 -23.926 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.869 6.308 -24.258 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.824 5.132 -22.941 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.556 5.688 -22.233 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.100 4.783 -21.802 1.00 0.00 H new ATOM 324 N LEU A 98 1.510 13.461 -25.101 1.00 0.00 N ATOM 325 CA LEU A 98 0.965 14.741 -24.662 1.00 0.00 C ATOM 326 C LEU A 98 -0.423 14.964 -25.228 1.00 0.00 C ATOM 327 O LEU A 98 -0.977 16.058 -25.113 1.00 0.00 O ATOM 328 CB LEU A 98 1.892 15.886 -25.093 1.00 0.00 C ATOM 329 CG LEU A 98 3.050 16.029 -24.097 1.00 0.00 C ATOM 330 CD1 LEU A 98 2.501 16.467 -22.735 1.00 0.00 C ATOM 331 CD2 LEU A 98 3.770 14.686 -23.946 1.00 0.00 C ATOM 0 H LEU A 98 1.679 13.396 -26.105 1.00 0.00 H new ATOM 0 HA LEU A 98 0.895 14.723 -23.574 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.283 15.692 -26.092 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.330 16.819 -25.146 1.00 0.00 H new ATOM 0 HG LEU A 98 3.752 16.776 -24.466 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.323 16.569 -22.027 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.991 17.425 -22.839 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.797 15.719 -22.369 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.592 14.791 -23.238 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.069 13.936 -23.579 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.163 14.373 -24.913 1.00 0.00 H new ATOM 343 N PHE A 99 -0.974 13.928 -25.847 1.00 0.00 N ATOM 344 CA PHE A 99 -2.298 14.025 -26.442 1.00 0.00 C ATOM 345 C PHE A 99 -3.320 13.229 -25.641 1.00 0.00 C ATOM 346 O PHE A 99 -3.984 13.778 -24.765 1.00 0.00 O ATOM 347 CB PHE A 99 -2.258 13.507 -27.881 1.00 0.00 C ATOM 348 CG PHE A 99 -1.357 14.388 -28.714 1.00 0.00 C ATOM 349 CD1 PHE A 99 -1.872 15.538 -29.323 1.00 0.00 C ATOM 350 CD2 PHE A 99 -0.008 14.053 -28.875 1.00 0.00 C ATOM 351 CE1 PHE A 99 -1.037 16.354 -30.095 1.00 0.00 C ATOM 352 CE2 PHE A 99 0.828 14.871 -29.645 1.00 0.00 C ATOM 353 CZ PHE A 99 0.313 16.022 -30.255 1.00 0.00 C ATOM 0 H PHE A 99 -0.527 13.017 -25.949 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.598 15.073 -26.436 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.895 12.479 -27.898 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.263 13.497 -28.302 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.913 15.796 -29.197 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.388 13.164 -28.406 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.435 17.240 -30.567 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.870 14.614 -29.769 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.958 16.653 -30.849 1.00 0.00 H new ATOM 363 N GLY A 100 -3.434 11.939 -25.947 1.00 0.00 N ATOM 364 CA GLY A 100 -4.384 11.076 -25.259 1.00 0.00 C ATOM 365 C GLY A 100 -4.525 11.476 -23.796 1.00 0.00 C ATOM 366 O GLY A 100 -3.571 11.946 -23.177 1.00 0.00 O ATOM 0 H GLY A 100 -2.881 11.471 -26.665 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.355 11.134 -25.751 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.054 10.039 -25.326 1.00 0.00 H new ATOM 370 N LYS A 101 -5.726 11.305 -23.255 1.00 0.00 N ATOM 371 CA LYS A 101 -5.981 11.667 -21.867 1.00 0.00 C ATOM 372 C LYS A 101 -4.950 11.022 -20.948 1.00 0.00 C ATOM 373 O LYS A 101 -4.544 11.610 -19.947 1.00 0.00 O ATOM 374 CB LYS A 101 -7.379 11.204 -21.466 1.00 0.00 C ATOM 375 CG LYS A 101 -7.503 9.694 -21.673 1.00 0.00 C ATOM 376 CD LYS A 101 -8.957 9.258 -21.466 1.00 0.00 C ATOM 377 CE LYS A 101 -9.253 9.146 -19.968 1.00 0.00 C ATOM 378 NZ LYS A 101 -10.626 8.608 -19.774 1.00 0.00 N ATOM 0 H LYS A 101 -6.531 10.922 -23.751 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.909 12.750 -21.770 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.570 11.454 -20.422 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -8.129 11.725 -22.061 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.174 9.427 -22.677 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -6.853 9.168 -20.974 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.632 9.979 -21.927 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.132 8.299 -21.954 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.524 8.492 -19.490 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.163 10.124 -19.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.828 8.531 -18.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.316 9.248 -20.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.696 7.668 -20.213 1.00 0.00 H new ATOM 392 N THR A 102 -4.523 9.815 -21.302 1.00 0.00 N ATOM 393 CA THR A 102 -3.536 9.099 -20.503 1.00 0.00 C ATOM 394 C THR A 102 -2.144 9.672 -20.736 1.00 0.00 C ATOM 395 O THR A 102 -1.146 9.085 -20.334 1.00 0.00 O ATOM 396 CB THR A 102 -3.545 7.614 -20.864 1.00 0.00 C ATOM 397 OG1 THR A 102 -3.148 7.455 -22.218 1.00 0.00 O ATOM 398 CG2 THR A 102 -4.956 7.053 -20.673 1.00 0.00 C ATOM 0 H THR A 102 -4.842 9.315 -22.131 1.00 0.00 H new ATOM 0 HA THR A 102 -3.795 9.216 -19.451 1.00 0.00 H new ATOM 0 HB THR A 102 -2.851 7.076 -20.218 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.152 6.503 -22.450 1.00 0.00 H new ATOM 0 HG21 THR A 102 -4.964 5.994 -20.930 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.259 7.176 -19.633 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.651 7.589 -21.319 1.00 0.00 H new ATOM 406 N ALA A 103 -2.087 10.829 -21.385 1.00 0.00 N ATOM 407 CA ALA A 103 -0.812 11.481 -21.661 1.00 0.00 C ATOM 408 C ALA A 103 0.003 11.626 -20.378 1.00 0.00 C ATOM 409 O ALA A 103 -0.538 11.544 -19.275 1.00 0.00 O ATOM 410 CB ALA A 103 -1.051 12.866 -22.269 1.00 0.00 C ATOM 0 H ALA A 103 -2.904 11.333 -21.729 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.257 10.864 -22.368 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.093 13.345 -22.471 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.609 12.763 -23.200 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.621 13.477 -21.569 1.00 0.00 H new ATOM 416 N GLY A 104 1.306 11.826 -20.532 1.00 0.00 N ATOM 417 CA GLY A 104 2.193 11.965 -19.379 1.00 0.00 C ATOM 418 C GLY A 104 2.990 10.684 -19.146 1.00 0.00 C ATOM 419 O GLY A 104 4.019 10.697 -18.472 1.00 0.00 O ATOM 0 H GLY A 104 1.772 11.896 -21.437 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.876 12.799 -19.540 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.607 12.200 -18.491 1.00 0.00 H new ATOM 423 N ARG A 105 2.517 9.584 -19.724 1.00 0.00 N ATOM 424 CA ARG A 105 3.205 8.305 -19.586 1.00 0.00 C ATOM 425 C ARG A 105 4.495 8.302 -20.393 1.00 0.00 C ATOM 426 O ARG A 105 4.633 9.040 -21.371 1.00 0.00 O ATOM 427 CB ARG A 105 2.300 7.171 -20.068 1.00 0.00 C ATOM 428 CG ARG A 105 1.552 6.572 -18.876 1.00 0.00 C ATOM 429 CD ARG A 105 0.796 7.678 -18.138 1.00 0.00 C ATOM 430 NE ARG A 105 -0.384 7.131 -17.480 1.00 0.00 N ATOM 431 CZ ARG A 105 -1.158 7.893 -16.715 1.00 0.00 C ATOM 432 NH1 ARG A 105 -0.866 9.153 -16.539 1.00 0.00 N ATOM 433 NH2 ARG A 105 -2.213 7.382 -16.141 1.00 0.00 N ATOM 0 H ARG A 105 1.668 9.552 -20.288 1.00 0.00 H new ATOM 0 HA ARG A 105 3.447 8.156 -18.534 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.590 7.547 -20.805 1.00 0.00 H new ATOM 0 HB3 ARG A 105 2.894 6.402 -20.561 1.00 0.00 H new ATOM 0 HG2 ARG A 105 0.855 5.807 -19.218 1.00 0.00 H new ATOM 0 HG3 ARG A 105 2.255 6.084 -18.200 1.00 0.00 H new ATOM 0 HD2 ARG A 105 1.449 8.144 -17.400 1.00 0.00 H new ATOM 0 HD3 ARG A 105 0.501 8.457 -18.840 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.619 6.147 -17.609 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.043 9.553 -16.989 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.461 9.737 -15.951 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.443 6.398 -16.280 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.808 7.967 -15.554 1.00 0.00 H new ATOM 447 N PHE A 106 5.448 7.477 -19.975 1.00 0.00 N ATOM 448 CA PHE A 106 6.730 7.397 -20.665 1.00 0.00 C ATOM 449 C PHE A 106 6.795 6.151 -21.545 1.00 0.00 C ATOM 450 O PHE A 106 6.585 5.036 -21.068 1.00 0.00 O ATOM 451 CB PHE A 106 7.870 7.350 -19.638 1.00 0.00 C ATOM 452 CG PHE A 106 7.936 8.662 -18.894 1.00 0.00 C ATOM 453 CD1 PHE A 106 8.664 9.733 -19.425 1.00 0.00 C ATOM 454 CD2 PHE A 106 7.265 8.809 -17.673 1.00 0.00 C ATOM 455 CE1 PHE A 106 8.724 10.950 -18.735 1.00 0.00 C ATOM 456 CE2 PHE A 106 7.324 10.027 -16.983 1.00 0.00 C ATOM 457 CZ PHE A 106 8.054 11.097 -17.516 1.00 0.00 C ATOM 0 H PHE A 106 5.359 6.859 -19.169 1.00 0.00 H new ATOM 0 HA PHE A 106 6.835 8.280 -21.296 1.00 0.00 H new ATOM 0 HB2 PHE A 106 7.708 6.531 -18.937 1.00 0.00 H new ATOM 0 HB3 PHE A 106 8.818 7.157 -20.140 1.00 0.00 H new ATOM 0 HD1 PHE A 106 9.180 9.621 -20.367 1.00 0.00 H new ATOM 0 HD2 PHE A 106 6.702 7.983 -17.263 1.00 0.00 H new ATOM 0 HE1 PHE A 106 9.288 11.775 -19.144 1.00 0.00 H new ATOM 0 HE2 PHE A 106 6.807 10.141 -16.041 1.00 0.00 H new ATOM 0 HZ PHE A 106 8.100 12.036 -16.985 1.00 0.00 H new ATOM 467 N ASP A 107 7.092 6.356 -22.823 1.00 0.00 N ATOM 468 CA ASP A 107 7.195 5.242 -23.766 1.00 0.00 C ATOM 469 C ASP A 107 8.585 5.210 -24.392 1.00 0.00 C ATOM 470 O ASP A 107 9.003 6.167 -25.043 1.00 0.00 O ATOM 471 CB ASP A 107 6.134 5.378 -24.857 1.00 0.00 C ATOM 472 CG ASP A 107 4.774 5.668 -24.230 1.00 0.00 C ATOM 473 OD1 ASP A 107 4.070 4.722 -23.927 1.00 0.00 O ATOM 474 OD2 ASP A 107 4.460 6.836 -24.062 1.00 0.00 O ATOM 0 H ASP A 107 7.265 7.275 -23.231 1.00 0.00 H new ATOM 0 HA ASP A 107 7.030 4.310 -23.226 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.406 6.181 -25.542 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.085 4.461 -25.444 1.00 0.00 H new ATOM 479 N VAL A 108 9.295 4.106 -24.183 1.00 0.00 N ATOM 480 CA VAL A 108 10.642 3.967 -24.726 1.00 0.00 C ATOM 481 C VAL A 108 10.849 2.573 -25.311 1.00 0.00 C ATOM 482 O VAL A 108 10.238 1.606 -24.857 1.00 0.00 O ATOM 483 CB VAL A 108 11.668 4.213 -23.618 1.00 0.00 C ATOM 484 CG1 VAL A 108 11.306 5.488 -22.854 1.00 0.00 C ATOM 485 CG2 VAL A 108 11.677 3.026 -22.656 1.00 0.00 C ATOM 0 H VAL A 108 8.965 3.303 -23.648 1.00 0.00 H new ATOM 0 HA VAL A 108 10.773 4.701 -25.522 1.00 0.00 H new ATOM 0 HB VAL A 108 12.657 4.327 -24.062 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.039 5.660 -22.066 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.305 6.335 -23.540 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.316 5.378 -22.411 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.408 3.202 -21.867 1.00 0.00 H new ATOM 0 HG22 VAL A 108 10.688 2.908 -22.214 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.942 2.119 -23.200 1.00 0.00 H new ATOM 495 N TYR A 109 11.719 2.480 -26.309 1.00 0.00 N ATOM 496 CA TYR A 109 12.011 1.198 -26.940 1.00 0.00 C ATOM 497 C TYR A 109 13.378 1.230 -27.611 1.00 0.00 C ATOM 498 O TYR A 109 13.917 2.301 -27.888 1.00 0.00 O ATOM 499 CB TYR A 109 10.931 0.863 -27.969 1.00 0.00 C ATOM 500 CG TYR A 109 10.576 2.104 -28.748 1.00 0.00 C ATOM 501 CD1 TYR A 109 9.609 2.986 -28.249 1.00 0.00 C ATOM 502 CD2 TYR A 109 11.213 2.378 -29.963 1.00 0.00 C ATOM 503 CE1 TYR A 109 9.277 4.141 -28.968 1.00 0.00 C ATOM 504 CE2 TYR A 109 10.879 3.533 -30.682 1.00 0.00 C ATOM 505 CZ TYR A 109 9.912 4.414 -30.184 1.00 0.00 C ATOM 506 OH TYR A 109 9.583 5.551 -30.893 1.00 0.00 O ATOM 0 H TYR A 109 12.232 3.271 -26.697 1.00 0.00 H new ATOM 0 HA TYR A 109 12.021 0.427 -26.169 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.287 0.086 -28.645 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.046 0.470 -27.468 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.119 2.775 -27.310 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.961 1.700 -30.346 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.531 4.821 -28.584 1.00 0.00 H new ATOM 0 HE2 TYR A 109 11.368 3.744 -31.622 1.00 0.00 H new ATOM 0 HH TYR A 109 10.117 5.591 -31.714 1.00 0.00 H new ATOM 516 N PHE A 110 13.934 0.050 -27.868 1.00 0.00 N ATOM 517 CA PHE A 110 15.246 -0.037 -28.499 1.00 0.00 C ATOM 518 C PHE A 110 15.109 -0.466 -29.955 1.00 0.00 C ATOM 519 O PHE A 110 14.299 -1.336 -30.281 1.00 0.00 O ATOM 520 CB PHE A 110 16.115 -1.053 -27.753 1.00 0.00 C ATOM 521 CG PHE A 110 15.438 -2.404 -27.763 1.00 0.00 C ATOM 522 CD1 PHE A 110 15.679 -3.301 -28.811 1.00 0.00 C ATOM 523 CD2 PHE A 110 14.569 -2.760 -26.723 1.00 0.00 C ATOM 524 CE1 PHE A 110 15.052 -4.553 -28.820 1.00 0.00 C ATOM 525 CE2 PHE A 110 13.943 -4.012 -26.732 1.00 0.00 C ATOM 526 CZ PHE A 110 14.182 -4.907 -27.780 1.00 0.00 C ATOM 0 H PHE A 110 13.503 -0.849 -27.652 1.00 0.00 H new ATOM 0 HA PHE A 110 15.715 0.946 -28.460 1.00 0.00 H new ATOM 0 HB2 PHE A 110 17.096 -1.123 -28.224 1.00 0.00 H new ATOM 0 HB3 PHE A 110 16.277 -0.724 -26.727 1.00 0.00 H new ATOM 0 HD1 PHE A 110 16.349 -3.027 -29.613 1.00 0.00 H new ATOM 0 HD2 PHE A 110 14.382 -2.069 -25.915 1.00 0.00 H new ATOM 0 HE1 PHE A 110 15.239 -5.245 -29.628 1.00 0.00 H new ATOM 0 HE2 PHE A 110 13.275 -4.287 -25.929 1.00 0.00 H new ATOM 0 HZ PHE A 110 13.696 -5.871 -27.788 1.00 0.00 H new ATOM 536 N ILE A 111 15.908 0.147 -30.823 1.00 0.00 N ATOM 537 CA ILE A 111 15.865 -0.180 -32.242 1.00 0.00 C ATOM 538 C ILE A 111 17.184 -0.805 -32.678 1.00 0.00 C ATOM 539 O ILE A 111 18.239 -0.176 -32.597 1.00 0.00 O ATOM 540 CB ILE A 111 15.606 1.086 -33.064 1.00 0.00 C ATOM 541 CG1 ILE A 111 14.352 1.788 -32.536 1.00 0.00 C ATOM 542 CG2 ILE A 111 15.387 0.707 -34.533 1.00 0.00 C ATOM 543 CD1 ILE A 111 14.137 3.095 -33.299 1.00 0.00 C ATOM 0 H ILE A 111 16.586 0.866 -30.571 1.00 0.00 H new ATOM 0 HA ILE A 111 15.057 -0.893 -32.410 1.00 0.00 H new ATOM 0 HB ILE A 111 16.465 1.752 -32.981 1.00 0.00 H new ATOM 0 HG12 ILE A 111 13.484 1.140 -32.653 1.00 0.00 H new ATOM 0 HG13 ILE A 111 14.458 1.990 -31.470 1.00 0.00 H new ATOM 0 HG21 ILE A 111 15.203 1.608 -35.118 1.00 0.00 H new ATOM 0 HG22 ILE A 111 16.274 0.202 -34.915 1.00 0.00 H new ATOM 0 HG23 ILE A 111 14.528 0.041 -34.613 1.00 0.00 H new ATOM 0 HD11 ILE A 111 13.244 3.594 -32.922 1.00 0.00 H new ATOM 0 HD12 ILE A 111 15.001 3.744 -33.159 1.00 0.00 H new ATOM 0 HD13 ILE A 111 14.012 2.880 -34.360 1.00 0.00 H new ATOM 555 N SER A 112 17.118 -2.044 -33.152 1.00 0.00 N ATOM 556 CA SER A 112 18.311 -2.741 -33.605 1.00 0.00 C ATOM 557 C SER A 112 18.889 -2.062 -34.844 1.00 0.00 C ATOM 558 O SER A 112 18.174 -1.401 -35.595 1.00 0.00 O ATOM 559 CB SER A 112 17.972 -4.200 -33.934 1.00 0.00 C ATOM 560 OG SER A 112 16.670 -4.259 -34.489 1.00 0.00 O ATOM 0 H SER A 112 16.255 -2.582 -33.232 1.00 0.00 H new ATOM 0 HA SER A 112 19.052 -2.711 -32.806 1.00 0.00 H new ATOM 0 HB2 SER A 112 18.699 -4.606 -34.637 1.00 0.00 H new ATOM 0 HB3 SER A 112 18.025 -4.811 -33.033 1.00 0.00 H new ATOM 0 HG SER A 112 16.036 -4.562 -33.805 1.00 0.00 H new ATOM 566 N PRO A 113 20.164 -2.224 -35.068 1.00 0.00 N ATOM 567 CA PRO A 113 20.864 -1.622 -36.240 1.00 0.00 C ATOM 568 C PRO A 113 20.322 -2.150 -37.566 1.00 0.00 C ATOM 569 O PRO A 113 20.697 -1.669 -38.635 1.00 0.00 O ATOM 570 CB PRO A 113 22.331 -2.025 -36.043 1.00 0.00 C ATOM 571 CG PRO A 113 22.299 -3.194 -35.118 1.00 0.00 C ATOM 572 CD PRO A 113 21.092 -2.991 -34.221 1.00 0.00 C ATOM 0 HA PRO A 113 20.723 -0.542 -36.288 1.00 0.00 H new ATOM 0 HB2 PRO A 113 22.797 -2.288 -36.993 1.00 0.00 H new ATOM 0 HB3 PRO A 113 22.910 -1.205 -35.620 1.00 0.00 H new ATOM 0 HG2 PRO A 113 22.218 -4.128 -35.674 1.00 0.00 H new ATOM 0 HG3 PRO A 113 23.215 -3.251 -34.531 1.00 0.00 H new ATOM 0 HD2 PRO A 113 20.659 -3.941 -33.908 1.00 0.00 H new ATOM 0 HD3 PRO A 113 21.352 -2.446 -33.314 1.00 0.00 H new ATOM 580 N GLN A 114 19.442 -3.139 -37.484 1.00 0.00 N ATOM 581 CA GLN A 114 18.854 -3.726 -38.685 1.00 0.00 C ATOM 582 C GLN A 114 17.723 -2.847 -39.209 1.00 0.00 C ATOM 583 O GLN A 114 17.136 -3.129 -40.253 1.00 0.00 O ATOM 584 CB GLN A 114 18.312 -5.123 -38.371 1.00 0.00 C ATOM 585 CG GLN A 114 19.455 -6.019 -37.887 1.00 0.00 C ATOM 586 CD GLN A 114 20.495 -6.182 -38.990 1.00 0.00 C ATOM 587 OE1 GLN A 114 20.188 -6.713 -40.058 1.00 0.00 O ATOM 588 NE2 GLN A 114 21.709 -5.746 -38.799 1.00 0.00 N ATOM 0 H GLN A 114 19.120 -3.550 -36.608 1.00 0.00 H new ATOM 0 HA GLN A 114 19.628 -3.799 -39.449 1.00 0.00 H new ATOM 0 HB2 GLN A 114 17.537 -5.060 -37.607 1.00 0.00 H new ATOM 0 HB3 GLN A 114 17.850 -5.553 -39.260 1.00 0.00 H new ATOM 0 HG2 GLN A 114 19.918 -5.585 -37.001 1.00 0.00 H new ATOM 0 HG3 GLN A 114 19.065 -6.995 -37.597 1.00 0.00 H new ATOM 0 HE21 GLN A 114 21.960 -5.307 -37.913 1.00 0.00 H new ATOM 0 HE22 GLN A 114 22.408 -5.844 -39.535 1.00 0.00 H new ATOM 597 N GLY A 115 17.424 -1.777 -38.478 1.00 0.00 N ATOM 598 CA GLY A 115 16.364 -0.860 -38.879 1.00 0.00 C ATOM 599 C GLY A 115 15.004 -1.363 -38.412 1.00 0.00 C ATOM 600 O GLY A 115 13.983 -0.706 -38.617 1.00 0.00 O ATOM 0 H GLY A 115 17.898 -1.525 -37.610 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.554 0.128 -38.460 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.363 -0.751 -39.964 1.00 0.00 H new ATOM 604 N LEU A 116 14.995 -2.534 -37.787 1.00 0.00 N ATOM 605 CA LEU A 116 13.752 -3.118 -37.295 1.00 0.00 C ATOM 606 C LEU A 116 13.382 -2.527 -35.941 1.00 0.00 C ATOM 607 O LEU A 116 14.254 -2.136 -35.168 1.00 0.00 O ATOM 608 CB LEU A 116 13.905 -4.637 -37.164 1.00 0.00 C ATOM 609 CG LEU A 116 14.270 -5.234 -38.527 1.00 0.00 C ATOM 610 CD1 LEU A 116 14.492 -6.740 -38.382 1.00 0.00 C ATOM 611 CD2 LEU A 116 13.134 -4.982 -39.521 1.00 0.00 C ATOM 0 H LEU A 116 15.828 -3.095 -37.609 1.00 0.00 H new ATOM 0 HA LEU A 116 12.959 -2.891 -38.008 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.678 -4.873 -36.433 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.976 -5.077 -36.800 1.00 0.00 H new ATOM 0 HG LEU A 116 15.183 -4.764 -38.893 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.752 -7.165 -39.352 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.303 -6.922 -37.677 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.579 -7.208 -38.013 1.00 0.00 H new ATOM 0 HD21 LEU A 116 13.397 -5.408 -40.489 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.220 -5.449 -39.155 1.00 0.00 H new ATOM 0 HD23 LEU A 116 12.975 -3.909 -39.628 1.00 0.00 H new ATOM 623 N LYS A 117 12.085 -2.467 -35.664 1.00 0.00 N ATOM 624 CA LYS A 117 11.606 -1.920 -34.399 1.00 0.00 C ATOM 625 C LYS A 117 11.124 -3.041 -33.481 1.00 0.00 C ATOM 626 O LYS A 117 10.474 -3.986 -33.926 1.00 0.00 O ATOM 627 CB LYS A 117 10.462 -0.940 -34.649 1.00 0.00 C ATOM 628 CG LYS A 117 10.150 -0.177 -33.358 1.00 0.00 C ATOM 629 CD LYS A 117 8.725 0.377 -33.420 1.00 0.00 C ATOM 630 CE LYS A 117 8.650 1.477 -34.479 1.00 0.00 C ATOM 631 NZ LYS A 117 7.319 2.144 -34.406 1.00 0.00 N ATOM 0 H LYS A 117 11.349 -2.788 -36.294 1.00 0.00 H new ATOM 0 HA LYS A 117 12.432 -1.396 -33.917 1.00 0.00 H new ATOM 0 HB2 LYS A 117 10.734 -0.241 -35.440 1.00 0.00 H new ATOM 0 HB3 LYS A 117 9.577 -1.477 -34.989 1.00 0.00 H new ATOM 0 HG2 LYS A 117 10.257 -0.838 -32.498 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.862 0.637 -33.224 1.00 0.00 H new ATOM 0 HD2 LYS A 117 8.023 -0.422 -33.660 1.00 0.00 H new ATOM 0 HD3 LYS A 117 8.435 0.774 -32.447 1.00 0.00 H new ATOM 0 HE2 LYS A 117 9.444 2.206 -34.319 1.00 0.00 H new ATOM 0 HE3 LYS A 117 8.803 1.053 -35.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 7.266 2.893 -35.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 6.570 1.444 -34.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 7.191 2.562 -33.462 1.00 0.00 H new ATOM 645 N PHE A 118 11.450 -2.926 -32.197 1.00 0.00 N ATOM 646 CA PHE A 118 11.042 -3.929 -31.221 1.00 0.00 C ATOM 647 C PHE A 118 10.594 -3.268 -29.922 1.00 0.00 C ATOM 648 O PHE A 118 11.209 -2.308 -29.460 1.00 0.00 O ATOM 649 CB PHE A 118 12.198 -4.888 -30.938 1.00 0.00 C ATOM 650 CG PHE A 118 12.563 -5.627 -32.204 1.00 0.00 C ATOM 651 CD1 PHE A 118 11.642 -6.507 -32.788 1.00 0.00 C ATOM 652 CD2 PHE A 118 13.818 -5.434 -32.794 1.00 0.00 C ATOM 653 CE1 PHE A 118 11.976 -7.194 -33.961 1.00 0.00 C ATOM 654 CE2 PHE A 118 14.150 -6.123 -33.968 1.00 0.00 C ATOM 655 CZ PHE A 118 13.229 -7.001 -34.550 1.00 0.00 C ATOM 0 H PHE A 118 11.992 -2.153 -31.811 1.00 0.00 H new ATOM 0 HA PHE A 118 10.203 -4.487 -31.636 1.00 0.00 H new ATOM 0 HB2 PHE A 118 13.060 -4.335 -30.566 1.00 0.00 H new ATOM 0 HB3 PHE A 118 11.914 -5.597 -30.160 1.00 0.00 H new ATOM 0 HD1 PHE A 118 10.674 -6.655 -32.333 1.00 0.00 H new ATOM 0 HD2 PHE A 118 14.528 -4.756 -32.345 1.00 0.00 H new ATOM 0 HE1 PHE A 118 11.266 -7.873 -34.411 1.00 0.00 H new ATOM 0 HE2 PHE A 118 15.118 -5.976 -34.424 1.00 0.00 H new ATOM 0 HZ PHE A 118 13.487 -7.530 -35.455 1.00 0.00 H new ATOM 665 N ARG A 119 9.524 -3.790 -29.335 1.00 0.00 N ATOM 666 CA ARG A 119 9.006 -3.243 -28.086 1.00 0.00 C ATOM 667 C ARG A 119 8.373 -4.344 -27.240 1.00 0.00 C ATOM 668 O ARG A 119 7.601 -4.069 -26.321 1.00 0.00 O ATOM 669 CB ARG A 119 7.963 -2.163 -28.379 1.00 0.00 C ATOM 670 CG ARG A 119 7.236 -2.495 -29.685 1.00 0.00 C ATOM 671 CD ARG A 119 5.869 -1.813 -29.699 1.00 0.00 C ATOM 672 NE ARG A 119 4.822 -2.778 -29.366 1.00 0.00 N ATOM 673 CZ ARG A 119 3.756 -2.423 -28.656 1.00 0.00 C ATOM 674 NH1 ARG A 119 3.618 -1.188 -28.255 1.00 0.00 N ATOM 675 NH2 ARG A 119 2.832 -3.301 -28.386 1.00 0.00 N ATOM 0 H ARG A 119 9.001 -4.586 -29.700 1.00 0.00 H new ATOM 0 HA ARG A 119 9.837 -2.805 -27.533 1.00 0.00 H new ATOM 0 HB2 ARG A 119 7.248 -2.101 -27.558 1.00 0.00 H new ATOM 0 HB3 ARG A 119 8.445 -1.188 -28.456 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.828 -2.162 -30.537 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.116 -3.574 -29.782 1.00 0.00 H new ATOM 0 HD2 ARG A 119 5.857 -0.991 -28.984 1.00 0.00 H new ATOM 0 HD3 ARG A 119 5.679 -1.383 -30.682 1.00 0.00 H new ATOM 0 HE ARG A 119 4.912 -3.743 -29.685 1.00 0.00 H new ATOM 0 HH11 ARG A 119 4.329 -0.494 -28.487 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.799 -0.917 -27.710 1.00 0.00 H new ATOM 0 HH21 ARG A 119 2.927 -4.260 -28.719 1.00 0.00 H new ATOM 0 HH22 ARG A 119 2.014 -3.029 -27.841 1.00 0.00 H new ATOM 689 N SER A 120 8.705 -5.590 -27.556 1.00 0.00 N ATOM 690 CA SER A 120 8.159 -6.727 -26.820 1.00 0.00 C ATOM 691 C SER A 120 9.241 -7.766 -26.553 1.00 0.00 C ATOM 692 O SER A 120 10.113 -7.998 -27.391 1.00 0.00 O ATOM 693 CB SER A 120 7.024 -7.366 -27.621 1.00 0.00 C ATOM 694 OG SER A 120 6.523 -8.490 -26.909 1.00 0.00 O ATOM 0 H SER A 120 9.344 -5.839 -28.311 1.00 0.00 H new ATOM 0 HA SER A 120 7.776 -6.367 -25.865 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.227 -6.641 -27.787 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.384 -7.674 -28.603 1.00 0.00 H new ATOM 0 HG SER A 120 6.653 -9.301 -27.444 1.00 0.00 H new ATOM 700 N LYS A 121 9.183 -8.383 -25.378 1.00 0.00 N ATOM 701 CA LYS A 121 10.166 -9.393 -25.009 1.00 0.00 C ATOM 702 C LYS A 121 10.084 -10.589 -25.953 1.00 0.00 C ATOM 703 O LYS A 121 11.108 -11.149 -26.351 1.00 0.00 O ATOM 704 CB LYS A 121 9.923 -9.859 -23.572 1.00 0.00 C ATOM 705 CG LYS A 121 10.261 -8.723 -22.603 1.00 0.00 C ATOM 706 CD LYS A 121 10.024 -9.189 -21.165 1.00 0.00 C ATOM 707 CE LYS A 121 10.382 -8.060 -20.197 1.00 0.00 C ATOM 708 NZ LYS A 121 10.141 -8.512 -18.798 1.00 0.00 N ATOM 0 H LYS A 121 8.471 -8.203 -24.670 1.00 0.00 H new ATOM 0 HA LYS A 121 11.159 -8.951 -25.084 1.00 0.00 H new ATOM 0 HB2 LYS A 121 8.883 -10.160 -23.447 1.00 0.00 H new ATOM 0 HB3 LYS A 121 10.537 -10.733 -23.353 1.00 0.00 H new ATOM 0 HG2 LYS A 121 11.300 -8.419 -22.731 1.00 0.00 H new ATOM 0 HG3 LYS A 121 9.644 -7.851 -22.820 1.00 0.00 H new ATOM 0 HD2 LYS A 121 8.982 -9.479 -21.033 1.00 0.00 H new ATOM 0 HD3 LYS A 121 10.629 -10.070 -20.953 1.00 0.00 H new ATOM 0 HE2 LYS A 121 11.426 -7.775 -20.324 1.00 0.00 H new ATOM 0 HE3 LYS A 121 9.782 -7.176 -20.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 10.384 -7.745 -18.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 9.139 -8.763 -18.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 10.732 -9.343 -18.595 1.00 0.00 H new ATOM 722 N SER A 122 8.861 -10.978 -26.306 1.00 0.00 N ATOM 723 CA SER A 122 8.664 -12.115 -27.202 1.00 0.00 C ATOM 724 C SER A 122 9.285 -11.836 -28.565 1.00 0.00 C ATOM 725 O SER A 122 10.126 -12.598 -29.042 1.00 0.00 O ATOM 726 CB SER A 122 7.170 -12.386 -27.368 1.00 0.00 C ATOM 727 OG SER A 122 6.538 -11.227 -27.902 1.00 0.00 O ATOM 0 H SER A 122 8.001 -10.529 -25.990 1.00 0.00 H new ATOM 0 HA SER A 122 9.150 -12.989 -26.767 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.015 -13.237 -28.031 1.00 0.00 H new ATOM 0 HB3 SER A 122 6.727 -12.646 -26.407 1.00 0.00 H new ATOM 0 HG SER A 122 5.579 -11.398 -28.011 1.00 0.00 H new ATOM 733 N SER A 123 8.876 -10.733 -29.185 1.00 0.00 N ATOM 734 CA SER A 123 9.399 -10.372 -30.498 1.00 0.00 C ATOM 735 C SER A 123 10.922 -10.375 -30.478 1.00 0.00 C ATOM 736 O SER A 123 11.563 -10.796 -31.440 1.00 0.00 O ATOM 737 CB SER A 123 8.899 -8.978 -30.886 1.00 0.00 C ATOM 738 OG SER A 123 9.357 -8.032 -29.926 1.00 0.00 O ATOM 0 H SER A 123 8.191 -10.080 -28.804 1.00 0.00 H new ATOM 0 HA SER A 123 9.051 -11.103 -31.228 1.00 0.00 H new ATOM 0 HB2 SER A 123 9.262 -8.712 -31.879 1.00 0.00 H new ATOM 0 HB3 SER A 123 7.810 -8.969 -30.932 1.00 0.00 H new ATOM 0 HG SER A 123 9.418 -8.461 -29.047 1.00 0.00 H new ATOM 744 N LEU A 124 11.496 -9.915 -29.371 1.00 0.00 N ATOM 745 CA LEU A 124 12.945 -9.881 -29.238 1.00 0.00 C ATOM 746 C LEU A 124 13.521 -11.293 -29.312 1.00 0.00 C ATOM 747 O LEU A 124 14.513 -11.533 -29.993 1.00 0.00 O ATOM 748 CB LEU A 124 13.334 -9.238 -27.903 1.00 0.00 C ATOM 749 CG LEU A 124 14.860 -9.189 -27.776 1.00 0.00 C ATOM 750 CD1 LEU A 124 15.440 -8.346 -28.913 1.00 0.00 C ATOM 751 CD2 LEU A 124 15.239 -8.562 -26.434 1.00 0.00 C ATOM 0 H LEU A 124 10.985 -9.564 -28.561 1.00 0.00 H new ATOM 0 HA LEU A 124 13.353 -9.289 -30.057 1.00 0.00 H new ATOM 0 HB2 LEU A 124 12.922 -8.231 -27.840 1.00 0.00 H new ATOM 0 HB3 LEU A 124 12.909 -9.808 -27.077 1.00 0.00 H new ATOM 0 HG LEU A 124 15.262 -10.201 -27.832 1.00 0.00 H new ATOM 0 HD11 LEU A 124 16.526 -8.311 -28.823 1.00 0.00 H new ATOM 0 HD12 LEU A 124 15.170 -8.791 -29.870 1.00 0.00 H new ATOM 0 HD13 LEU A 124 15.039 -7.334 -28.857 1.00 0.00 H new ATOM 0 HD21 LEU A 124 16.325 -8.527 -26.343 1.00 0.00 H new ATOM 0 HD22 LEU A 124 14.837 -7.550 -26.379 1.00 0.00 H new ATOM 0 HD23 LEU A 124 14.826 -9.161 -25.623 1.00 0.00 H new ATOM 763 N ALA A 125 12.892 -12.222 -28.605 1.00 0.00 N ATOM 764 CA ALA A 125 13.350 -13.605 -28.599 1.00 0.00 C ATOM 765 C ALA A 125 13.282 -14.195 -30.003 1.00 0.00 C ATOM 766 O ALA A 125 14.064 -15.080 -30.356 1.00 0.00 O ATOM 767 CB ALA A 125 12.488 -14.438 -27.647 1.00 0.00 C ATOM 0 H ALA A 125 12.068 -12.045 -28.031 1.00 0.00 H new ATOM 0 HA ALA A 125 14.385 -13.625 -28.259 1.00 0.00 H new ATOM 0 HB1 ALA A 125 12.838 -15.470 -27.649 1.00 0.00 H new ATOM 0 HB2 ALA A 125 12.563 -14.031 -26.638 1.00 0.00 H new ATOM 0 HB3 ALA A 125 11.449 -14.406 -27.975 1.00 0.00 H new ATOM 773 N ASN A 126 12.332 -13.706 -30.799 1.00 0.00 N ATOM 774 CA ASN A 126 12.165 -14.200 -32.163 1.00 0.00 C ATOM 775 C ASN A 126 13.173 -13.541 -33.099 1.00 0.00 C ATOM 776 O ASN A 126 13.817 -14.210 -33.895 1.00 0.00 O ATOM 777 CB ASN A 126 10.747 -13.908 -32.649 1.00 0.00 C ATOM 778 CG ASN A 126 9.745 -14.759 -31.877 1.00 0.00 C ATOM 779 OD1 ASN A 126 10.079 -15.852 -31.420 1.00 0.00 O ATOM 780 ND2 ASN A 126 8.530 -14.316 -31.694 1.00 0.00 N ATOM 0 H ASN A 126 11.673 -12.976 -30.526 1.00 0.00 H new ATOM 0 HA ASN A 126 12.337 -15.276 -32.165 1.00 0.00 H new ATOM 0 HB2 ASN A 126 10.518 -12.851 -32.515 1.00 0.00 H new ATOM 0 HB3 ASN A 126 10.669 -14.118 -33.716 1.00 0.00 H new ATOM 0 HD21 ASN A 126 7.856 -14.876 -31.172 1.00 0.00 H new ATOM 0 HD22 ASN A 126 8.255 -13.410 -32.073 1.00 0.00 H new ATOM 787 N TYR A 127 13.305 -12.224 -32.988 1.00 0.00 N ATOM 788 CA TYR A 127 14.240 -11.486 -33.826 1.00 0.00 C ATOM 789 C TYR A 127 15.645 -12.057 -33.680 1.00 0.00 C ATOM 790 O TYR A 127 16.347 -12.263 -34.671 1.00 0.00 O ATOM 791 CB TYR A 127 14.241 -10.008 -33.431 1.00 0.00 C ATOM 792 CG TYR A 127 15.509 -9.354 -33.928 1.00 0.00 C ATOM 793 CD1 TYR A 127 15.672 -9.082 -35.292 1.00 0.00 C ATOM 794 CD2 TYR A 127 16.525 -9.024 -33.022 1.00 0.00 C ATOM 795 CE1 TYR A 127 16.851 -8.477 -35.747 1.00 0.00 C ATOM 796 CE2 TYR A 127 17.702 -8.420 -33.478 1.00 0.00 C ATOM 797 CZ TYR A 127 17.865 -8.146 -34.841 1.00 0.00 C ATOM 798 OH TYR A 127 19.025 -7.550 -35.292 1.00 0.00 O ATOM 0 H TYR A 127 12.779 -11.649 -32.330 1.00 0.00 H new ATOM 0 HA TYR A 127 13.926 -11.581 -34.865 1.00 0.00 H new ATOM 0 HB2 TYR A 127 13.371 -9.507 -33.855 1.00 0.00 H new ATOM 0 HB3 TYR A 127 14.169 -9.910 -32.348 1.00 0.00 H new ATOM 0 HD1 TYR A 127 14.890 -9.338 -35.992 1.00 0.00 H new ATOM 0 HD2 TYR A 127 16.400 -9.236 -31.970 1.00 0.00 H new ATOM 0 HE1 TYR A 127 16.977 -8.266 -36.799 1.00 0.00 H new ATOM 0 HE2 TYR A 127 18.484 -8.165 -32.779 1.00 0.00 H new ATOM 0 HH TYR A 127 19.624 -7.386 -34.534 1.00 0.00 H new ATOM 808 N LEU A 128 16.054 -12.301 -32.439 1.00 0.00 N ATOM 809 CA LEU A 128 17.388 -12.838 -32.181 1.00 0.00 C ATOM 810 C LEU A 128 17.552 -14.201 -32.849 1.00 0.00 C ATOM 811 O LEU A 128 18.554 -14.475 -33.492 1.00 0.00 O ATOM 812 CB LEU A 128 17.600 -12.979 -30.672 1.00 0.00 C ATOM 813 CG LEU A 128 17.636 -11.591 -30.028 1.00 0.00 C ATOM 814 CD1 LEU A 128 17.683 -11.736 -28.506 1.00 0.00 C ATOM 815 CD2 LEU A 128 18.873 -10.829 -30.506 1.00 0.00 C ATOM 0 H LEU A 128 15.490 -12.138 -31.605 1.00 0.00 H new ATOM 0 HA LEU A 128 18.128 -12.153 -32.594 1.00 0.00 H new ATOM 0 HB2 LEU A 128 16.797 -13.573 -30.235 1.00 0.00 H new ATOM 0 HB3 LEU A 128 18.532 -13.508 -30.473 1.00 0.00 H new ATOM 0 HG LEU A 128 16.741 -11.039 -30.315 1.00 0.00 H new ATOM 0 HD11 LEU A 128 17.709 -10.748 -28.047 1.00 0.00 H new ATOM 0 HD12 LEU A 128 16.798 -12.272 -28.164 1.00 0.00 H new ATOM 0 HD13 LEU A 128 18.576 -12.292 -28.221 1.00 0.00 H new ATOM 0 HD21 LEU A 128 18.893 -9.842 -30.044 1.00 0.00 H new ATOM 0 HD22 LEU A 128 19.771 -11.380 -30.225 1.00 0.00 H new ATOM 0 HD23 LEU A 128 18.838 -10.722 -31.590 1.00 0.00 H new ATOM 827 N HIS A 129 16.561 -15.054 -32.687 1.00 0.00 N ATOM 828 CA HIS A 129 16.602 -16.378 -33.294 1.00 0.00 C ATOM 829 C HIS A 129 16.554 -16.274 -34.816 1.00 0.00 C ATOM 830 O HIS A 129 17.195 -17.052 -35.523 1.00 0.00 O ATOM 831 CB HIS A 129 15.420 -17.220 -32.803 1.00 0.00 C ATOM 832 CG HIS A 129 15.497 -18.598 -33.406 1.00 0.00 C ATOM 833 ND1 HIS A 129 16.449 -19.526 -33.008 1.00 0.00 N ATOM 834 CD2 HIS A 129 14.750 -19.221 -34.374 1.00 0.00 C ATOM 835 CE1 HIS A 129 16.250 -20.645 -33.730 1.00 0.00 C ATOM 836 NE2 HIS A 129 15.226 -20.512 -34.577 1.00 0.00 N ATOM 0 H HIS A 129 15.720 -14.860 -32.144 1.00 0.00 H new ATOM 0 HA HIS A 129 17.536 -16.858 -33.002 1.00 0.00 H new ATOM 0 HB2 HIS A 129 15.435 -17.287 -31.715 1.00 0.00 H new ATOM 0 HB3 HIS A 129 14.480 -16.743 -33.080 1.00 0.00 H new ATOM 0 HD2 HIS A 129 13.918 -18.776 -34.899 1.00 0.00 H new ATOM 0 HE1 HIS A 129 16.846 -21.541 -33.636 1.00 0.00 H new ATOM 0 HE2 HIS A 129 14.870 -21.208 -35.232 1.00 0.00 H new ATOM 845 N LYS A 130 15.763 -15.325 -35.314 1.00 0.00 N ATOM 846 CA LYS A 130 15.618 -15.152 -36.749 1.00 0.00 C ATOM 847 C LYS A 130 16.886 -14.571 -37.373 1.00 0.00 C ATOM 848 O LYS A 130 17.351 -15.055 -38.406 1.00 0.00 O ATOM 849 CB LYS A 130 14.439 -14.215 -37.035 1.00 0.00 C ATOM 850 CG LYS A 130 14.096 -14.258 -38.530 1.00 0.00 C ATOM 851 CD LYS A 130 13.545 -12.899 -38.966 1.00 0.00 C ATOM 852 CE LYS A 130 12.302 -12.561 -38.142 1.00 0.00 C ATOM 853 NZ LYS A 130 12.682 -11.658 -37.019 1.00 0.00 N ATOM 0 H LYS A 130 15.220 -14.673 -34.748 1.00 0.00 H new ATOM 0 HA LYS A 130 15.438 -16.132 -37.190 1.00 0.00 H new ATOM 0 HB2 LYS A 130 13.573 -14.514 -36.444 1.00 0.00 H new ATOM 0 HB3 LYS A 130 14.691 -13.197 -36.739 1.00 0.00 H new ATOM 0 HG2 LYS A 130 14.984 -14.506 -39.111 1.00 0.00 H new ATOM 0 HG3 LYS A 130 13.361 -15.039 -38.723 1.00 0.00 H new ATOM 0 HD2 LYS A 130 14.303 -12.128 -38.832 1.00 0.00 H new ATOM 0 HD3 LYS A 130 13.296 -12.920 -40.027 1.00 0.00 H new ATOM 0 HE2 LYS A 130 11.554 -12.080 -38.773 1.00 0.00 H new ATOM 0 HE3 LYS A 130 11.851 -13.474 -37.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 12.495 -12.133 -36.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 13.694 -11.427 -37.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 12.123 -10.783 -37.073 1.00 0.00 H new ATOM 867 N ASN A 131 17.427 -13.539 -36.742 1.00 0.00 N ATOM 868 CA ASN A 131 18.623 -12.886 -37.262 1.00 0.00 C ATOM 869 C ASN A 131 19.842 -13.784 -37.085 1.00 0.00 C ATOM 870 O ASN A 131 20.931 -13.462 -37.550 1.00 0.00 O ATOM 871 CB ASN A 131 18.846 -11.553 -36.543 1.00 0.00 C ATOM 872 CG ASN A 131 19.175 -11.796 -35.080 1.00 0.00 C ATOM 873 OD1 ASN A 131 19.449 -12.913 -34.696 1.00 0.00 O ATOM 874 ND2 ASN A 131 19.164 -10.807 -34.239 1.00 0.00 N ATOM 0 H ASN A 131 17.063 -13.138 -35.878 1.00 0.00 H new ATOM 0 HA ASN A 131 18.481 -12.698 -38.326 1.00 0.00 H new ATOM 0 HB2 ASN A 131 19.659 -11.005 -37.020 1.00 0.00 H new ATOM 0 HB3 ASN A 131 17.953 -10.933 -36.625 1.00 0.00 H new ATOM 0 HD21 ASN A 131 19.386 -10.970 -33.257 1.00 0.00 H new ATOM 0 HD22 ASN A 131 18.934 -9.867 -34.560 1.00 0.00 H new ATOM 881 N GLY A 132 19.640 -14.914 -36.422 1.00 0.00 N ATOM 882 CA GLY A 132 20.720 -15.867 -36.209 1.00 0.00 C ATOM 883 C GLY A 132 21.565 -15.485 -35.000 1.00 0.00 C ATOM 884 O GLY A 132 22.333 -16.298 -34.490 1.00 0.00 O ATOM 0 H GLY A 132 18.743 -15.192 -36.024 1.00 0.00 H new ATOM 0 HA2 GLY A 132 20.305 -16.864 -36.065 1.00 0.00 H new ATOM 0 HA3 GLY A 132 21.350 -15.910 -37.097 1.00 0.00 H new ATOM 888 N GLU A 133 21.412 -14.248 -34.547 1.00 0.00 N ATOM 889 CA GLU A 133 22.164 -13.768 -33.396 1.00 0.00 C ATOM 890 C GLU A 133 21.427 -14.101 -32.107 1.00 0.00 C ATOM 891 O GLU A 133 20.377 -13.532 -31.828 1.00 0.00 O ATOM 892 CB GLU A 133 22.365 -12.254 -33.498 1.00 0.00 C ATOM 893 CG GLU A 133 23.206 -11.768 -32.315 1.00 0.00 C ATOM 894 CD GLU A 133 23.484 -10.277 -32.449 1.00 0.00 C ATOM 895 OE1 GLU A 133 23.007 -9.688 -33.406 1.00 0.00 O ATOM 896 OE2 GLU A 133 24.174 -9.745 -31.596 1.00 0.00 O ATOM 0 H GLU A 133 20.778 -13.562 -34.956 1.00 0.00 H new ATOM 0 HA GLU A 133 23.136 -14.261 -33.385 1.00 0.00 H new ATOM 0 HB2 GLU A 133 22.861 -12.005 -34.436 1.00 0.00 H new ATOM 0 HB3 GLU A 133 21.400 -11.748 -33.503 1.00 0.00 H new ATOM 0 HG2 GLU A 133 22.681 -11.966 -31.380 1.00 0.00 H new ATOM 0 HG3 GLU A 133 24.146 -12.319 -32.276 1.00 0.00 H new ATOM 903 N THR A 134 21.989 -15.020 -31.328 1.00 0.00 N ATOM 904 CA THR A 134 21.376 -15.425 -30.068 1.00 0.00 C ATOM 905 C THR A 134 22.262 -15.036 -28.889 1.00 0.00 C ATOM 906 O THR A 134 21.991 -15.411 -27.749 1.00 0.00 O ATOM 907 CB THR A 134 21.145 -16.937 -30.063 1.00 0.00 C ATOM 908 OG1 THR A 134 22.393 -17.604 -30.172 1.00 0.00 O ATOM 909 CG2 THR A 134 20.253 -17.323 -31.246 1.00 0.00 C ATOM 0 H THR A 134 22.864 -15.497 -31.546 1.00 0.00 H new ATOM 0 HA THR A 134 20.419 -14.912 -29.969 1.00 0.00 H new ATOM 0 HB THR A 134 20.657 -17.228 -29.133 1.00 0.00 H new ATOM 0 HG1 THR A 134 22.247 -18.573 -30.167 1.00 0.00 H new ATOM 0 HG21 THR A 134 20.089 -18.401 -31.242 1.00 0.00 H new ATOM 0 HG22 THR A 134 19.295 -16.810 -31.162 1.00 0.00 H new ATOM 0 HG23 THR A 134 20.739 -17.034 -32.178 1.00 0.00 H new ATOM 917 N SER A 135 23.324 -14.289 -29.174 1.00 0.00 N ATOM 918 CA SER A 135 24.246 -13.864 -28.126 1.00 0.00 C ATOM 919 C SER A 135 23.521 -13.013 -27.090 1.00 0.00 C ATOM 920 O SER A 135 23.676 -13.220 -25.886 1.00 0.00 O ATOM 921 CB SER A 135 25.391 -13.056 -28.740 1.00 0.00 C ATOM 922 OG SER A 135 26.271 -12.631 -27.708 1.00 0.00 O ATOM 0 H SER A 135 23.566 -13.968 -30.111 1.00 0.00 H new ATOM 0 HA SER A 135 24.647 -14.751 -27.635 1.00 0.00 H new ATOM 0 HB2 SER A 135 25.931 -13.663 -29.467 1.00 0.00 H new ATOM 0 HB3 SER A 135 24.996 -12.193 -29.276 1.00 0.00 H new ATOM 0 HG SER A 135 27.007 -12.114 -28.098 1.00 0.00 H new ATOM 928 N LEU A 136 22.722 -12.062 -27.564 1.00 0.00 N ATOM 929 CA LEU A 136 21.975 -11.191 -26.665 1.00 0.00 C ATOM 930 C LEU A 136 20.838 -11.955 -26.003 1.00 0.00 C ATOM 931 O LEU A 136 20.216 -12.819 -26.624 1.00 0.00 O ATOM 932 CB LEU A 136 21.406 -10.002 -27.445 1.00 0.00 C ATOM 933 CG LEU A 136 22.485 -8.927 -27.602 1.00 0.00 C ATOM 934 CD1 LEU A 136 22.792 -8.304 -26.239 1.00 0.00 C ATOM 935 CD2 LEU A 136 23.758 -9.567 -28.168 1.00 0.00 C ATOM 0 H LEU A 136 22.576 -11.876 -28.556 1.00 0.00 H new ATOM 0 HA LEU A 136 22.653 -10.829 -25.892 1.00 0.00 H new ATOM 0 HB2 LEU A 136 21.059 -10.329 -28.425 1.00 0.00 H new ATOM 0 HB3 LEU A 136 20.542 -9.591 -26.922 1.00 0.00 H new ATOM 0 HG LEU A 136 22.130 -8.152 -28.281 1.00 0.00 H new ATOM 0 HD11 LEU A 136 23.560 -7.539 -26.353 1.00 0.00 H new ATOM 0 HD12 LEU A 136 21.887 -7.852 -25.834 1.00 0.00 H new ATOM 0 HD13 LEU A 136 23.148 -9.077 -25.558 1.00 0.00 H new ATOM 0 HD21 LEU A 136 24.529 -8.805 -28.281 1.00 0.00 H new ATOM 0 HD22 LEU A 136 24.110 -10.341 -27.486 1.00 0.00 H new ATOM 0 HD23 LEU A 136 23.541 -10.011 -29.140 1.00 0.00 H new ATOM 947 N LYS A 137 20.573 -11.633 -24.739 1.00 0.00 N ATOM 948 CA LYS A 137 19.520 -12.303 -24.008 1.00 0.00 C ATOM 949 C LYS A 137 18.363 -11.340 -23.726 1.00 0.00 C ATOM 950 O LYS A 137 18.575 -10.139 -23.550 1.00 0.00 O ATOM 951 CB LYS A 137 20.057 -12.848 -22.680 1.00 0.00 C ATOM 952 CG LYS A 137 21.199 -13.825 -22.961 1.00 0.00 C ATOM 953 CD LYS A 137 21.742 -14.370 -21.639 1.00 0.00 C ATOM 954 CE LYS A 137 22.963 -15.252 -21.918 1.00 0.00 C ATOM 955 NZ LYS A 137 22.562 -16.405 -22.773 1.00 0.00 N ATOM 0 H LYS A 137 21.072 -10.918 -24.210 1.00 0.00 H new ATOM 0 HA LYS A 137 19.158 -13.129 -24.620 1.00 0.00 H new ATOM 0 HB2 LYS A 137 20.410 -12.029 -22.053 1.00 0.00 H new ATOM 0 HB3 LYS A 137 19.260 -13.350 -22.131 1.00 0.00 H new ATOM 0 HG2 LYS A 137 20.845 -14.645 -23.586 1.00 0.00 H new ATOM 0 HG3 LYS A 137 21.993 -13.323 -23.513 1.00 0.00 H new ATOM 0 HD2 LYS A 137 22.017 -13.547 -20.979 1.00 0.00 H new ATOM 0 HD3 LYS A 137 20.972 -14.947 -21.127 1.00 0.00 H new ATOM 0 HE2 LYS A 137 23.739 -14.670 -22.415 1.00 0.00 H new ATOM 0 HE3 LYS A 137 23.386 -15.612 -20.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 23.294 -17.142 -22.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 21.659 -16.792 -22.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 22.453 -16.086 -23.757 1.00 0.00 H new ATOM 969 N PRO A 138 17.165 -11.851 -23.630 1.00 0.00 N ATOM 970 CA PRO A 138 15.960 -11.033 -23.311 1.00 0.00 C ATOM 971 C PRO A 138 16.140 -10.253 -22.007 1.00 0.00 C ATOM 972 O PRO A 138 15.392 -9.321 -21.724 1.00 0.00 O ATOM 973 CB PRO A 138 14.842 -12.074 -23.164 1.00 0.00 C ATOM 974 CG PRO A 138 15.304 -13.261 -23.933 1.00 0.00 C ATOM 975 CD PRO A 138 16.815 -13.262 -23.863 1.00 0.00 C ATOM 0 HA PRO A 138 15.754 -10.285 -24.077 1.00 0.00 H new ATOM 0 HB2 PRO A 138 14.674 -12.325 -22.117 1.00 0.00 H new ATOM 0 HB3 PRO A 138 13.898 -11.695 -23.556 1.00 0.00 H new ATOM 0 HG2 PRO A 138 14.896 -14.179 -23.510 1.00 0.00 H new ATOM 0 HG3 PRO A 138 14.964 -13.208 -24.967 1.00 0.00 H new ATOM 0 HD2 PRO A 138 17.176 -13.901 -23.057 1.00 0.00 H new ATOM 0 HD3 PRO A 138 17.257 -13.635 -24.787 1.00 0.00 H new ATOM 983 N GLU A 139 17.133 -10.648 -21.215 1.00 0.00 N ATOM 984 CA GLU A 139 17.406 -9.978 -19.947 1.00 0.00 C ATOM 985 C GLU A 139 18.515 -8.942 -20.116 1.00 0.00 C ATOM 986 O GLU A 139 18.903 -8.274 -19.159 1.00 0.00 O ATOM 987 CB GLU A 139 17.826 -11.005 -18.892 1.00 0.00 C ATOM 988 CG GLU A 139 16.663 -11.964 -18.621 1.00 0.00 C ATOM 989 CD GLU A 139 16.698 -13.121 -19.615 1.00 0.00 C ATOM 990 OE1 GLU A 139 17.457 -13.039 -20.566 1.00 0.00 O ATOM 991 OE2 GLU A 139 15.966 -14.072 -19.409 1.00 0.00 O ATOM 0 H GLU A 139 17.759 -11.425 -21.427 1.00 0.00 H new ATOM 0 HA GLU A 139 16.496 -9.473 -19.622 1.00 0.00 H new ATOM 0 HB2 GLU A 139 18.697 -11.562 -19.238 1.00 0.00 H new ATOM 0 HB3 GLU A 139 18.116 -10.499 -17.971 1.00 0.00 H new ATOM 0 HG2 GLU A 139 16.726 -12.347 -17.602 1.00 0.00 H new ATOM 0 HG3 GLU A 139 15.715 -11.432 -18.703 1.00 0.00 H new ATOM 998 N ASP A 140 19.018 -8.816 -21.341 1.00 0.00 N ATOM 999 CA ASP A 140 20.081 -7.859 -21.624 1.00 0.00 C ATOM 1000 C ASP A 140 19.506 -6.478 -21.923 1.00 0.00 C ATOM 1001 O ASP A 140 20.141 -5.459 -21.651 1.00 0.00 O ATOM 1002 CB ASP A 140 20.910 -8.341 -22.814 1.00 0.00 C ATOM 1003 CG ASP A 140 22.169 -7.491 -22.952 1.00 0.00 C ATOM 1004 OD1 ASP A 140 22.182 -6.397 -22.414 1.00 0.00 O ATOM 1005 OD2 ASP A 140 23.105 -7.949 -23.586 1.00 0.00 O ATOM 0 H ASP A 140 18.709 -9.360 -22.147 1.00 0.00 H new ATOM 0 HA ASP A 140 20.718 -7.784 -20.742 1.00 0.00 H new ATOM 0 HB2 ASP A 140 21.181 -9.388 -22.678 1.00 0.00 H new ATOM 0 HB3 ASP A 140 20.319 -8.281 -23.728 1.00 0.00 H new ATOM 1010 N PHE A 141 18.309 -6.453 -22.491 1.00 0.00 N ATOM 1011 CA PHE A 141 17.661 -5.192 -22.833 1.00 0.00 C ATOM 1012 C PHE A 141 17.557 -4.296 -21.606 1.00 0.00 C ATOM 1013 O PHE A 141 17.108 -4.733 -20.545 1.00 0.00 O ATOM 1014 CB PHE A 141 16.258 -5.462 -23.387 1.00 0.00 C ATOM 1015 CG PHE A 141 15.294 -5.685 -22.245 1.00 0.00 C ATOM 1016 CD1 PHE A 141 15.542 -6.691 -21.306 1.00 0.00 C ATOM 1017 CD2 PHE A 141 14.155 -4.877 -22.123 1.00 0.00 C ATOM 1018 CE1 PHE A 141 14.651 -6.894 -20.245 1.00 0.00 C ATOM 1019 CE2 PHE A 141 13.265 -5.080 -21.062 1.00 0.00 C ATOM 1020 CZ PHE A 141 13.512 -6.089 -20.123 1.00 0.00 C ATOM 0 H PHE A 141 17.768 -7.286 -22.724 1.00 0.00 H new ATOM 0 HA PHE A 141 18.262 -4.688 -23.589 1.00 0.00 H new ATOM 0 HB2 PHE A 141 15.928 -4.619 -23.995 1.00 0.00 H new ATOM 0 HB3 PHE A 141 16.275 -6.337 -24.037 1.00 0.00 H new ATOM 0 HD1 PHE A 141 16.421 -7.312 -21.399 1.00 0.00 H new ATOM 0 HD2 PHE A 141 13.964 -4.099 -22.847 1.00 0.00 H new ATOM 0 HE1 PHE A 141 14.842 -7.672 -19.521 1.00 0.00 H new ATOM 0 HE2 PHE A 141 12.387 -4.458 -20.967 1.00 0.00 H new ATOM 0 HZ PHE A 141 12.824 -6.246 -19.305 1.00 0.00 H new ATOM 1030 N ASP A 142 17.973 -3.042 -21.761 1.00 0.00 N ATOM 1031 CA ASP A 142 17.917 -2.086 -20.659 1.00 0.00 C ATOM 1032 C ASP A 142 17.064 -0.882 -21.040 1.00 0.00 C ATOM 1033 O ASP A 142 17.530 0.031 -21.721 1.00 0.00 O ATOM 1034 CB ASP A 142 19.330 -1.624 -20.301 1.00 0.00 C ATOM 1035 CG ASP A 142 19.272 -0.614 -19.160 1.00 0.00 C ATOM 1036 OD1 ASP A 142 18.915 -1.009 -18.062 1.00 0.00 O ATOM 1037 OD2 ASP A 142 19.587 0.541 -19.401 1.00 0.00 O ATOM 0 H ASP A 142 18.350 -2.666 -22.631 1.00 0.00 H new ATOM 0 HA ASP A 142 17.466 -2.576 -19.796 1.00 0.00 H new ATOM 0 HB2 ASP A 142 19.939 -2.480 -20.010 1.00 0.00 H new ATOM 0 HB3 ASP A 142 19.807 -1.175 -21.172 1.00 0.00 H new ATOM 1042 N PHE A 143 15.812 -0.882 -20.592 1.00 0.00 N ATOM 1043 CA PHE A 143 14.903 0.219 -20.892 1.00 0.00 C ATOM 1044 C PHE A 143 14.818 1.180 -19.714 1.00 0.00 C ATOM 1045 O PHE A 143 14.261 0.842 -18.675 1.00 0.00 O ATOM 1046 CB PHE A 143 13.512 -0.333 -21.211 1.00 0.00 C ATOM 1047 CG PHE A 143 12.916 -0.961 -19.974 1.00 0.00 C ATOM 1048 CD1 PHE A 143 13.318 -2.240 -19.578 1.00 0.00 C ATOM 1049 CD2 PHE A 143 11.970 -0.257 -19.216 1.00 0.00 C ATOM 1050 CE1 PHE A 143 12.774 -2.821 -18.427 1.00 0.00 C ATOM 1051 CE2 PHE A 143 11.425 -0.838 -18.066 1.00 0.00 C ATOM 1052 CZ PHE A 143 11.827 -2.121 -17.670 1.00 0.00 C ATOM 0 H PHE A 143 15.406 -1.626 -20.024 1.00 0.00 H new ATOM 0 HA PHE A 143 15.286 0.762 -21.756 1.00 0.00 H new ATOM 0 HB2 PHE A 143 12.866 0.468 -21.571 1.00 0.00 H new ATOM 0 HB3 PHE A 143 13.578 -1.072 -22.010 1.00 0.00 H new ATOM 0 HD1 PHE A 143 14.049 -2.780 -20.161 1.00 0.00 H new ATOM 0 HD2 PHE A 143 11.662 0.733 -19.519 1.00 0.00 H new ATOM 0 HE1 PHE A 143 13.085 -3.810 -18.123 1.00 0.00 H new ATOM 0 HE2 PHE A 143 10.694 -0.298 -17.483 1.00 0.00 H new ATOM 0 HZ PHE A 143 11.407 -2.569 -16.782 1.00 0.00 H new