USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=13 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= -0.0746 USER MOD Set 1.2: A 127 TYR OH : rot -54:sc= 0.0606 USER MOD Set 1.3: A 131 ASN : amide:sc= 0.844 K(o=0.83,f=0.045) USER MOD Single : A 88 CYS SG : rot 13:sc= 0.374 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -8.89! C(o=-8.9!,f=-11!) USER MOD Single : A 101 LYS NZ :NH3+ -165:sc= -3.76! (180deg=-4.37!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 114 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.68) 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+ -138:sc= -2.1! (180deg=-4.33!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= -0.0313 USER MOD Single : A 126 ASN : amide:sc= -0.407 K(o=-0.41,f=-1.8) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ -160:sc= -0.0676 (180deg=-0.518) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 87 24.551 -0.873 -24.129 1.00 0.00 N ATOM 135 CA PRO A 87 25.723 -1.423 -24.871 1.00 0.00 C ATOM 136 C PRO A 87 25.852 -0.822 -26.268 1.00 0.00 C ATOM 137 O PRO A 87 24.859 -0.424 -26.876 1.00 0.00 O ATOM 138 CB PRO A 87 25.437 -2.925 -24.944 1.00 0.00 C ATOM 139 CG PRO A 87 23.961 -3.055 -24.782 1.00 0.00 C ATOM 140 CD PRO A 87 23.521 -1.897 -23.896 1.00 0.00 C ATOM 0 HA PRO A 87 26.666 -1.190 -24.376 1.00 0.00 H new ATOM 0 HB2 PRO A 87 25.766 -3.342 -25.896 1.00 0.00 H new ATOM 0 HB3 PRO A 87 25.967 -3.465 -24.159 1.00 0.00 H new ATOM 0 HG2 PRO A 87 23.459 -3.016 -25.749 1.00 0.00 H new ATOM 0 HG3 PRO A 87 23.703 -4.011 -24.327 1.00 0.00 H new ATOM 0 HD2 PRO A 87 22.529 -1.537 -24.169 1.00 0.00 H new ATOM 0 HD3 PRO A 87 23.476 -2.189 -22.847 1.00 0.00 H new ATOM 148 N CYS A 88 27.083 -0.751 -26.767 1.00 0.00 N ATOM 149 CA CYS A 88 27.329 -0.184 -28.087 1.00 0.00 C ATOM 150 C CYS A 88 26.566 -0.963 -29.154 1.00 0.00 C ATOM 151 O CYS A 88 26.338 -2.162 -29.011 1.00 0.00 O ATOM 152 CB CYS A 88 28.826 -0.221 -28.399 1.00 0.00 C ATOM 153 SG CYS A 88 29.351 -1.936 -28.641 1.00 0.00 S ATOM 0 H CYS A 88 27.919 -1.076 -26.281 1.00 0.00 H new ATOM 0 HA CYS A 88 26.982 0.849 -28.090 1.00 0.00 H new ATOM 0 HB2 CYS A 88 29.036 0.364 -29.294 1.00 0.00 H new ATOM 0 HB3 CYS A 88 29.390 0.231 -27.583 1.00 0.00 H new ATOM 0 HG CYS A 88 28.304 -2.698 -28.756 1.00 0.00 H new ATOM 159 N GLY A 89 26.179 -0.270 -30.219 1.00 0.00 N ATOM 160 CA GLY A 89 25.438 -0.902 -31.304 1.00 0.00 C ATOM 161 C GLY A 89 23.935 -0.760 -31.091 1.00 0.00 C ATOM 162 O GLY A 89 23.143 -1.036 -31.993 1.00 0.00 O ATOM 0 H GLY A 89 26.365 0.724 -30.354 1.00 0.00 H new ATOM 0 HA2 GLY A 89 25.719 -0.448 -32.254 1.00 0.00 H new ATOM 0 HA3 GLY A 89 25.703 -1.958 -31.364 1.00 0.00 H new ATOM 166 N TRP A 90 23.548 -0.326 -29.895 1.00 0.00 N ATOM 167 CA TRP A 90 22.135 -0.146 -29.573 1.00 0.00 C ATOM 168 C TRP A 90 21.831 1.326 -29.315 1.00 0.00 C ATOM 169 O TRP A 90 22.658 2.051 -28.759 1.00 0.00 O ATOM 170 CB TRP A 90 21.770 -0.972 -28.344 1.00 0.00 C ATOM 171 CG TRP A 90 21.929 -2.426 -28.663 1.00 0.00 C ATOM 172 CD1 TRP A 90 23.103 -3.029 -28.960 1.00 0.00 C ATOM 173 CD2 TRP A 90 20.913 -3.468 -28.701 1.00 0.00 C ATOM 174 NE1 TRP A 90 22.870 -4.372 -29.190 1.00 0.00 N ATOM 175 CE2 TRP A 90 21.535 -4.691 -29.041 1.00 0.00 C ATOM 176 CE3 TRP A 90 19.525 -3.470 -28.481 1.00 0.00 C ATOM 177 CZ2 TRP A 90 20.805 -5.875 -29.157 1.00 0.00 C ATOM 178 CZ3 TRP A 90 18.786 -4.657 -28.595 1.00 0.00 C ATOM 179 CH2 TRP A 90 19.426 -5.858 -28.934 1.00 0.00 C ATOM 0 H TRP A 90 24.189 -0.093 -29.136 1.00 0.00 H new ATOM 0 HA TRP A 90 21.540 -0.484 -30.422 1.00 0.00 H new ATOM 0 HB2 TRP A 90 22.410 -0.699 -27.505 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.743 -0.764 -28.043 1.00 0.00 H new ATOM 0 HD1 TRP A 90 24.065 -2.541 -29.009 1.00 0.00 H new ATOM 0 HE1 TRP A 90 23.595 -5.045 -29.439 1.00 0.00 H new ATOM 0 HE3 TRP A 90 19.023 -2.550 -28.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 21.303 -6.798 -29.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 17.720 -4.646 -28.421 1.00 0.00 H new ATOM 0 HH2 TRP A 90 18.853 -6.769 -29.023 1.00 0.00 H new ATOM 190 N GLU A 91 20.642 1.763 -29.717 1.00 0.00 N ATOM 191 CA GLU A 91 20.244 3.153 -29.528 1.00 0.00 C ATOM 192 C GLU A 91 19.064 3.248 -28.569 1.00 0.00 C ATOM 193 O GLU A 91 18.279 2.309 -28.441 1.00 0.00 O ATOM 194 CB GLU A 91 19.856 3.769 -30.875 1.00 0.00 C ATOM 195 CG GLU A 91 21.081 3.811 -31.790 1.00 0.00 C ATOM 196 CD GLU A 91 20.701 4.407 -33.142 1.00 0.00 C ATOM 197 OE1 GLU A 91 19.523 4.643 -33.354 1.00 0.00 O ATOM 198 OE2 GLU A 91 21.595 4.617 -33.946 1.00 0.00 O ATOM 0 H GLU A 91 19.941 1.179 -30.173 1.00 0.00 H new ATOM 0 HA GLU A 91 21.087 3.699 -29.104 1.00 0.00 H new ATOM 0 HB2 GLU A 91 19.062 3.184 -31.339 1.00 0.00 H new ATOM 0 HB3 GLU A 91 19.465 4.776 -30.727 1.00 0.00 H new ATOM 0 HG2 GLU A 91 21.869 4.406 -31.329 1.00 0.00 H new ATOM 0 HG3 GLU A 91 21.479 2.805 -31.925 1.00 0.00 H new ATOM 205 N ARG A 92 18.950 4.388 -27.892 1.00 0.00 N ATOM 206 CA ARG A 92 17.860 4.599 -26.947 1.00 0.00 C ATOM 207 C ARG A 92 16.991 5.772 -27.380 1.00 0.00 C ATOM 208 O ARG A 92 17.494 6.852 -27.683 1.00 0.00 O ATOM 209 CB ARG A 92 18.426 4.871 -25.550 1.00 0.00 C ATOM 210 CG ARG A 92 18.995 3.577 -24.960 1.00 0.00 C ATOM 211 CD ARG A 92 18.428 3.365 -23.559 1.00 0.00 C ATOM 212 NE ARG A 92 18.609 4.566 -22.752 1.00 0.00 N ATOM 213 CZ ARG A 92 17.716 4.920 -21.832 1.00 0.00 C ATOM 214 NH1 ARG A 92 16.653 4.187 -21.636 1.00 0.00 N ATOM 215 NH2 ARG A 92 17.903 6.000 -21.123 1.00 0.00 N ATOM 0 H ARG A 92 19.594 5.174 -27.980 1.00 0.00 H new ATOM 0 HA ARG A 92 17.247 3.698 -26.924 1.00 0.00 H new ATOM 0 HB2 ARG A 92 19.206 5.630 -25.605 1.00 0.00 H new ATOM 0 HB3 ARG A 92 17.644 5.264 -24.901 1.00 0.00 H new ATOM 0 HG2 ARG A 92 18.741 2.731 -25.599 1.00 0.00 H new ATOM 0 HG3 ARG A 92 20.083 3.631 -24.919 1.00 0.00 H new ATOM 0 HD2 ARG A 92 17.368 3.117 -23.622 1.00 0.00 H new ATOM 0 HD3 ARG A 92 18.925 2.520 -23.082 1.00 0.00 H new ATOM 0 HE ARG A 92 19.436 5.146 -22.896 1.00 0.00 H new ATOM 0 HH11 ARG A 92 16.507 3.342 -22.189 1.00 0.00 H new ATOM 0 HH12 ARG A 92 15.969 4.459 -20.930 1.00 0.00 H new ATOM 0 HH21 ARG A 92 18.734 6.572 -21.275 1.00 0.00 H new ATOM 0 HH22 ARG A 92 17.218 6.272 -20.417 1.00 0.00 H new ATOM 229 N VAL A 93 15.680 5.548 -27.411 1.00 0.00 N ATOM 230 CA VAL A 93 14.741 6.590 -27.806 1.00 0.00 C ATOM 231 C VAL A 93 13.560 6.648 -26.845 1.00 0.00 C ATOM 232 O VAL A 93 12.955 5.622 -26.534 1.00 0.00 O ATOM 233 CB VAL A 93 14.237 6.330 -29.224 1.00 0.00 C ATOM 234 CG1 VAL A 93 13.136 7.336 -29.569 1.00 0.00 C ATOM 235 CG2 VAL A 93 15.397 6.490 -30.214 1.00 0.00 C ATOM 0 H VAL A 93 15.246 4.657 -27.168 1.00 0.00 H new ATOM 0 HA VAL A 93 15.262 7.547 -27.776 1.00 0.00 H new ATOM 0 HB VAL A 93 13.838 5.318 -29.286 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.777 7.150 -30.581 1.00 0.00 H new ATOM 0 HG12 VAL A 93 12.311 7.228 -28.865 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.535 8.348 -29.506 1.00 0.00 H new ATOM 0 HG21 VAL A 93 15.039 6.305 -31.227 1.00 0.00 H new ATOM 0 HG22 VAL A 93 15.794 7.503 -30.149 1.00 0.00 H new ATOM 0 HG23 VAL A 93 16.184 5.776 -29.971 1.00 0.00 H new ATOM 245 N VAL A 94 13.235 7.851 -26.382 1.00 0.00 N ATOM 246 CA VAL A 94 12.116 8.027 -25.464 1.00 0.00 C ATOM 247 C VAL A 94 11.122 9.040 -26.021 1.00 0.00 C ATOM 248 O VAL A 94 11.504 10.126 -26.453 1.00 0.00 O ATOM 249 CB VAL A 94 12.629 8.507 -24.106 1.00 0.00 C ATOM 250 CG1 VAL A 94 13.555 7.447 -23.505 1.00 0.00 C ATOM 251 CG2 VAL A 94 13.403 9.816 -24.285 1.00 0.00 C ATOM 0 H VAL A 94 13.726 8.711 -26.625 1.00 0.00 H new ATOM 0 HA VAL A 94 11.612 7.068 -25.345 1.00 0.00 H new ATOM 0 HB VAL A 94 11.784 8.672 -23.438 1.00 0.00 H new ATOM 0 HG11 VAL A 94 13.920 7.790 -22.537 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.005 6.515 -23.376 1.00 0.00 H new ATOM 0 HG13 VAL A 94 14.400 7.281 -24.173 1.00 0.00 H new ATOM 0 HG21 VAL A 94 13.769 10.158 -23.317 1.00 0.00 H new ATOM 0 HG22 VAL A 94 14.248 9.651 -24.954 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.745 10.573 -24.712 1.00 0.00 H new ATOM 261 N LYS A 95 9.842 8.677 -26.003 1.00 0.00 N ATOM 262 CA LYS A 95 8.798 9.561 -26.506 1.00 0.00 C ATOM 263 C LYS A 95 7.624 9.611 -25.534 1.00 0.00 C ATOM 264 O LYS A 95 7.059 8.579 -25.177 1.00 0.00 O ATOM 265 CB LYS A 95 8.314 9.076 -27.873 1.00 0.00 C ATOM 266 CG LYS A 95 9.106 9.779 -28.977 1.00 0.00 C ATOM 267 CD LYS A 95 8.494 11.155 -29.248 1.00 0.00 C ATOM 268 CE LYS A 95 7.447 11.038 -30.358 1.00 0.00 C ATOM 269 NZ LYS A 95 6.790 12.360 -30.562 1.00 0.00 N ATOM 0 H LYS A 95 9.506 7.782 -25.648 1.00 0.00 H new ATOM 0 HA LYS A 95 9.214 10.563 -26.606 1.00 0.00 H new ATOM 0 HB2 LYS A 95 8.440 7.996 -27.952 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.250 9.282 -27.987 1.00 0.00 H new ATOM 0 HG2 LYS A 95 10.149 9.886 -28.679 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.094 9.178 -29.887 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.035 11.546 -28.340 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.272 11.860 -29.540 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.918 10.707 -31.284 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.703 10.287 -30.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.078 12.281 -31.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 6.328 12.658 -29.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 7.505 13.065 -30.833 1.00 0.00 H new ATOM 283 N GLN A 96 7.263 10.818 -25.113 1.00 0.00 N ATOM 284 CA GLN A 96 6.154 10.991 -24.183 1.00 0.00 C ATOM 285 C GLN A 96 4.826 11.025 -24.932 1.00 0.00 C ATOM 286 O GLN A 96 4.692 11.720 -25.937 1.00 0.00 O ATOM 287 CB GLN A 96 6.332 12.288 -23.392 1.00 0.00 C ATOM 288 CG GLN A 96 5.268 12.369 -22.294 1.00 0.00 C ATOM 289 CD GLN A 96 5.930 12.313 -20.922 1.00 0.00 C ATOM 290 OE1 GLN A 96 5.935 11.264 -20.277 1.00 0.00 O ATOM 291 NE2 GLN A 96 6.493 13.385 -20.435 1.00 0.00 N ATOM 0 H GLN A 96 7.718 11.685 -25.398 1.00 0.00 H new ATOM 0 HA GLN A 96 6.147 10.146 -23.495 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.328 12.323 -22.951 1.00 0.00 H new ATOM 0 HB3 GLN A 96 6.248 13.147 -24.058 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.699 13.293 -22.395 1.00 0.00 H new ATOM 0 HG3 GLN A 96 4.561 11.546 -22.400 1.00 0.00 H new ATOM 0 HE21 GLN A 96 6.487 14.253 -20.971 1.00 0.00 H new ATOM 0 HE22 GLN A 96 6.939 13.355 -19.518 1.00 0.00 H new ATOM 300 N ARG A 97 3.854 10.268 -24.437 1.00 0.00 N ATOM 301 CA ARG A 97 2.539 10.221 -25.063 1.00 0.00 C ATOM 302 C ARG A 97 1.697 11.423 -24.655 1.00 0.00 C ATOM 303 O ARG A 97 1.580 11.731 -23.471 1.00 0.00 O ATOM 304 CB ARG A 97 1.807 8.937 -24.667 1.00 0.00 C ATOM 305 CG ARG A 97 2.053 7.858 -25.726 1.00 0.00 C ATOM 306 CD ARG A 97 1.275 6.597 -25.356 1.00 0.00 C ATOM 307 NE ARG A 97 1.940 5.895 -24.264 1.00 0.00 N ATOM 308 CZ ARG A 97 1.249 5.164 -23.394 1.00 0.00 C ATOM 309 NH1 ARG A 97 -0.048 5.071 -23.505 1.00 0.00 N ATOM 310 NH2 ARG A 97 1.869 4.546 -22.427 1.00 0.00 N ATOM 0 H ARG A 97 3.951 9.681 -23.608 1.00 0.00 H new ATOM 0 HA ARG A 97 2.684 10.241 -26.143 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.157 8.592 -23.694 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.739 9.130 -24.571 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.740 8.217 -26.706 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.118 7.635 -25.793 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.259 6.861 -25.062 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.196 5.942 -26.224 1.00 0.00 H new ATOM 0 HE ARG A 97 2.953 5.966 -24.166 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.532 5.559 -24.259 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.578 4.510 -22.838 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.882 4.624 -22.339 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.341 3.985 -21.759 1.00 0.00 H new ATOM 324 N LEU A 98 1.111 12.097 -25.643 1.00 0.00 N ATOM 325 CA LEU A 98 0.276 13.258 -25.384 1.00 0.00 C ATOM 326 C LEU A 98 -1.144 12.997 -25.846 1.00 0.00 C ATOM 327 O LEU A 98 -1.456 13.115 -27.028 1.00 0.00 O ATOM 328 CB LEU A 98 0.837 14.493 -26.099 1.00 0.00 C ATOM 329 CG LEU A 98 1.956 15.116 -25.261 1.00 0.00 C ATOM 330 CD1 LEU A 98 1.376 15.623 -23.935 1.00 0.00 C ATOM 331 CD2 LEU A 98 3.034 14.072 -24.979 1.00 0.00 C ATOM 0 H LEU A 98 1.202 11.855 -26.630 1.00 0.00 H new ATOM 0 HA LEU A 98 0.272 13.445 -24.310 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.219 14.213 -27.081 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.043 15.222 -26.261 1.00 0.00 H new ATOM 0 HG LEU A 98 2.397 15.948 -25.810 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.171 16.067 -23.336 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.611 16.373 -24.136 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.933 14.790 -23.389 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.828 14.521 -24.382 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.597 13.236 -24.432 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.447 13.712 -25.921 1.00 0.00 H new ATOM 343 N PHE A 99 -2.008 12.657 -24.901 1.00 0.00 N ATOM 344 CA PHE A 99 -3.412 12.384 -25.217 1.00 0.00 C ATOM 345 C PHE A 99 -4.340 13.253 -24.374 1.00 0.00 C ATOM 346 O PHE A 99 -4.653 14.386 -24.744 1.00 0.00 O ATOM 347 CB PHE A 99 -3.722 10.907 -24.958 1.00 0.00 C ATOM 348 CG PHE A 99 -3.210 10.076 -26.110 1.00 0.00 C ATOM 349 CD1 PHE A 99 -3.880 10.096 -27.337 1.00 0.00 C ATOM 350 CD2 PHE A 99 -2.064 9.287 -25.951 1.00 0.00 C ATOM 351 CE1 PHE A 99 -3.407 9.328 -28.408 1.00 0.00 C ATOM 352 CE2 PHE A 99 -1.591 8.518 -27.019 1.00 0.00 C ATOM 353 CZ PHE A 99 -2.261 8.538 -28.248 1.00 0.00 C ATOM 0 H PHE A 99 -1.769 12.563 -23.914 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.578 12.618 -26.269 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.256 10.584 -24.027 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.796 10.765 -24.842 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.764 10.705 -27.459 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.546 9.272 -25.004 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.925 9.345 -29.356 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.708 7.908 -26.896 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.895 7.945 -29.073 1.00 0.00 H new ATOM 363 N GLY A 100 -4.779 12.716 -23.239 1.00 0.00 N ATOM 364 CA GLY A 100 -5.667 13.454 -22.353 1.00 0.00 C ATOM 365 C GLY A 100 -5.903 12.693 -21.052 1.00 0.00 C ATOM 366 O GLY A 100 -5.665 13.216 -19.964 1.00 0.00 O ATOM 0 H GLY A 100 -4.535 11.780 -22.915 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.237 14.431 -22.133 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -6.620 13.630 -22.853 1.00 0.00 H new ATOM 370 N LYS A 101 -6.381 11.457 -21.173 1.00 0.00 N ATOM 371 CA LYS A 101 -6.660 10.638 -20.000 1.00 0.00 C ATOM 372 C LYS A 101 -5.410 9.910 -19.528 1.00 0.00 C ATOM 373 O LYS A 101 -5.252 9.643 -18.338 1.00 0.00 O ATOM 374 CB LYS A 101 -7.759 9.626 -20.327 1.00 0.00 C ATOM 375 CG LYS A 101 -7.166 8.478 -21.144 1.00 0.00 C ATOM 376 CD LYS A 101 -8.273 7.787 -21.939 1.00 0.00 C ATOM 377 CE LYS A 101 -8.326 8.368 -23.353 1.00 0.00 C ATOM 378 NZ LYS A 101 -8.243 9.855 -23.283 1.00 0.00 N ATOM 0 H LYS A 101 -6.581 11.005 -22.065 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.994 11.294 -19.196 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.200 9.242 -19.407 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -8.559 10.110 -20.887 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -6.401 8.858 -21.821 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -6.679 7.762 -20.483 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.088 6.714 -21.982 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.233 7.925 -21.442 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.503 7.975 -23.950 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.250 8.068 -23.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.530 10.262 -24.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.875 10.203 -22.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.265 10.138 -23.070 1.00 0.00 H new ATOM 392 N THR A 102 -4.529 9.586 -20.472 1.00 0.00 N ATOM 393 CA THR A 102 -3.300 8.883 -20.142 1.00 0.00 C ATOM 394 C THR A 102 -2.099 9.798 -20.298 1.00 0.00 C ATOM 395 O THR A 102 -1.062 9.571 -19.683 1.00 0.00 O ATOM 396 CB THR A 102 -3.140 7.664 -21.056 1.00 0.00 C ATOM 397 OG1 THR A 102 -3.227 8.079 -22.415 1.00 0.00 O ATOM 398 CG2 THR A 102 -4.241 6.645 -20.758 1.00 0.00 C ATOM 0 H THR A 102 -4.645 9.799 -21.463 1.00 0.00 H new ATOM 0 HA THR A 102 -3.356 8.557 -19.103 1.00 0.00 H new ATOM 0 HB THR A 102 -2.169 7.202 -20.877 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.123 7.301 -23.002 1.00 0.00 H new ATOM 0 HG21 THR A 102 -4.123 5.780 -21.411 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.171 6.327 -19.718 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.216 7.101 -20.933 1.00 0.00 H new ATOM 406 N ALA A 103 -2.249 10.833 -21.117 1.00 0.00 N ATOM 407 CA ALA A 103 -1.159 11.778 -21.350 1.00 0.00 C ATOM 408 C ALA A 103 -0.295 11.919 -20.101 1.00 0.00 C ATOM 409 O ALA A 103 -0.803 12.160 -19.008 1.00 0.00 O ATOM 410 CB ALA A 103 -1.735 13.149 -21.717 1.00 0.00 C ATOM 0 H ALA A 103 -3.107 11.040 -21.628 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.544 11.401 -22.167 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.920 13.852 -21.890 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.336 13.061 -22.622 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.359 13.512 -20.900 1.00 0.00 H new ATOM 416 N GLY A 104 1.011 11.750 -20.275 1.00 0.00 N ATOM 417 CA GLY A 104 1.943 11.848 -19.157 1.00 0.00 C ATOM 418 C GLY A 104 2.798 10.592 -19.037 1.00 0.00 C ATOM 419 O GLY A 104 3.819 10.589 -18.350 1.00 0.00 O ATOM 0 H GLY A 104 1.447 11.546 -21.174 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.587 12.717 -19.293 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.389 12.003 -18.231 1.00 0.00 H new ATOM 423 N ARG A 105 2.379 9.530 -19.716 1.00 0.00 N ATOM 424 CA ARG A 105 3.122 8.275 -19.689 1.00 0.00 C ATOM 425 C ARG A 105 4.345 8.357 -20.593 1.00 0.00 C ATOM 426 O ARG A 105 4.333 9.050 -21.611 1.00 0.00 O ATOM 427 CB ARG A 105 2.226 7.124 -20.147 1.00 0.00 C ATOM 428 CG ARG A 105 1.009 7.026 -19.225 1.00 0.00 C ATOM 429 CD ARG A 105 1.461 6.672 -17.807 1.00 0.00 C ATOM 430 NE ARG A 105 1.753 7.885 -17.053 1.00 0.00 N ATOM 431 CZ ARG A 105 0.785 8.723 -16.699 1.00 0.00 C ATOM 432 NH1 ARG A 105 -0.450 8.468 -17.031 1.00 0.00 N ATOM 433 NH2 ARG A 105 1.071 9.801 -16.022 1.00 0.00 N ATOM 0 H ARG A 105 1.535 9.512 -20.288 1.00 0.00 H new ATOM 0 HA ARG A 105 3.450 8.094 -18.666 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.904 7.287 -21.176 1.00 0.00 H new ATOM 0 HB3 ARG A 105 2.783 6.187 -20.132 1.00 0.00 H new ATOM 0 HG2 ARG A 105 0.469 7.973 -19.219 1.00 0.00 H new ATOM 0 HG3 ARG A 105 0.320 6.268 -19.597 1.00 0.00 H new ATOM 0 HD2 ARG A 105 0.683 6.100 -17.302 1.00 0.00 H new ATOM 0 HD3 ARG A 105 2.347 6.038 -17.848 1.00 0.00 H new ATOM 0 HE ARG A 105 2.717 8.094 -16.793 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.672 7.626 -17.562 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.194 9.111 -16.760 1.00 0.00 H new ATOM 0 HH21 ARG A 105 2.038 10.000 -15.765 1.00 0.00 H new ATOM 0 HH22 ARG A 105 0.328 10.445 -15.750 1.00 0.00 H new ATOM 447 N PHE A 106 5.406 7.653 -20.212 1.00 0.00 N ATOM 448 CA PHE A 106 6.637 7.662 -20.994 1.00 0.00 C ATOM 449 C PHE A 106 6.799 6.353 -21.762 1.00 0.00 C ATOM 450 O PHE A 106 6.574 5.274 -21.214 1.00 0.00 O ATOM 451 CB PHE A 106 7.842 7.858 -20.064 1.00 0.00 C ATOM 452 CG PHE A 106 7.805 9.250 -19.478 1.00 0.00 C ATOM 453 CD1 PHE A 106 7.107 9.490 -18.289 1.00 0.00 C ATOM 454 CD2 PHE A 106 8.471 10.299 -20.122 1.00 0.00 C ATOM 455 CE1 PHE A 106 7.073 10.781 -17.745 1.00 0.00 C ATOM 456 CE2 PHE A 106 8.438 11.588 -19.579 1.00 0.00 C ATOM 457 CZ PHE A 106 7.738 11.829 -18.391 1.00 0.00 C ATOM 0 H PHE A 106 5.439 7.073 -19.373 1.00 0.00 H new ATOM 0 HA PHE A 106 6.584 8.484 -21.708 1.00 0.00 H new ATOM 0 HB2 PHE A 106 7.824 7.115 -19.266 1.00 0.00 H new ATOM 0 HB3 PHE A 106 8.770 7.709 -20.617 1.00 0.00 H new ATOM 0 HD1 PHE A 106 6.595 8.680 -17.791 1.00 0.00 H new ATOM 0 HD2 PHE A 106 9.011 10.113 -21.039 1.00 0.00 H new ATOM 0 HE1 PHE A 106 6.534 10.967 -16.828 1.00 0.00 H new ATOM 0 HE2 PHE A 106 8.953 12.397 -20.076 1.00 0.00 H new ATOM 0 HZ PHE A 106 7.711 12.824 -17.973 1.00 0.00 H new ATOM 467 N ASP A 107 7.193 6.462 -23.027 1.00 0.00 N ATOM 468 CA ASP A 107 7.389 5.280 -23.860 1.00 0.00 C ATOM 469 C ASP A 107 8.815 5.242 -24.398 1.00 0.00 C ATOM 470 O ASP A 107 9.283 6.205 -25.008 1.00 0.00 O ATOM 471 CB ASP A 107 6.399 5.292 -25.025 1.00 0.00 C ATOM 472 CG ASP A 107 4.994 5.580 -24.509 1.00 0.00 C ATOM 473 OD1 ASP A 107 4.687 6.745 -24.310 1.00 0.00 O ATOM 474 OD2 ASP A 107 4.244 4.636 -24.326 1.00 0.00 O ATOM 0 H ASP A 107 7.382 7.349 -23.495 1.00 0.00 H new ATOM 0 HA ASP A 107 7.217 4.392 -23.251 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.690 6.049 -25.753 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.417 4.331 -25.539 1.00 0.00 H new ATOM 479 N VAL A 108 9.500 4.127 -24.165 1.00 0.00 N ATOM 480 CA VAL A 108 10.874 3.982 -24.626 1.00 0.00 C ATOM 481 C VAL A 108 11.059 2.653 -25.356 1.00 0.00 C ATOM 482 O VAL A 108 10.398 1.665 -25.039 1.00 0.00 O ATOM 483 CB VAL A 108 11.830 4.039 -23.428 1.00 0.00 C ATOM 484 CG1 VAL A 108 11.290 5.023 -22.389 1.00 0.00 C ATOM 485 CG2 VAL A 108 11.950 2.650 -22.799 1.00 0.00 C ATOM 0 H VAL A 108 9.130 3.319 -23.665 1.00 0.00 H new ATOM 0 HA VAL A 108 11.095 4.797 -25.315 1.00 0.00 H new ATOM 0 HB VAL A 108 12.812 4.369 -23.766 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.970 5.063 -21.538 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.208 6.014 -22.835 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.307 4.694 -22.053 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.630 2.693 -21.948 1.00 0.00 H new ATOM 0 HG22 VAL A 108 10.968 2.317 -22.462 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.338 1.948 -23.538 1.00 0.00 H new ATOM 495 N TYR A 109 11.970 2.636 -26.321 1.00 0.00 N ATOM 496 CA TYR A 109 12.251 1.422 -27.077 1.00 0.00 C ATOM 497 C TYR A 109 13.678 1.445 -27.612 1.00 0.00 C ATOM 498 O TYR A 109 14.268 2.509 -27.790 1.00 0.00 O ATOM 499 CB TYR A 109 11.261 1.281 -28.231 1.00 0.00 C ATOM 500 CG TYR A 109 11.127 2.606 -28.939 1.00 0.00 C ATOM 501 CD1 TYR A 109 12.037 2.965 -29.938 1.00 0.00 C ATOM 502 CD2 TYR A 109 10.085 3.476 -28.594 1.00 0.00 C ATOM 503 CE1 TYR A 109 11.907 4.195 -30.595 1.00 0.00 C ATOM 504 CE2 TYR A 109 9.956 4.707 -29.249 1.00 0.00 C ATOM 505 CZ TYR A 109 10.867 5.066 -30.249 1.00 0.00 C ATOM 506 OH TYR A 109 10.739 6.279 -30.895 1.00 0.00 O ATOM 0 H TYR A 109 12.525 3.446 -26.598 1.00 0.00 H new ATOM 0 HA TYR A 109 12.143 0.566 -26.411 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.604 0.517 -28.928 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.291 0.957 -27.855 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.840 2.294 -30.203 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.381 3.198 -27.823 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.609 4.471 -31.368 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.154 5.379 -28.983 1.00 0.00 H new ATOM 0 HH TYR A 109 9.965 6.761 -30.536 1.00 0.00 H new ATOM 516 N PHE A 110 14.227 0.262 -27.871 1.00 0.00 N ATOM 517 CA PHE A 110 15.591 0.160 -28.377 1.00 0.00 C ATOM 518 C PHE A 110 15.590 -0.121 -29.874 1.00 0.00 C ATOM 519 O PHE A 110 14.739 -0.858 -30.373 1.00 0.00 O ATOM 520 CB PHE A 110 16.330 -0.965 -27.650 1.00 0.00 C ATOM 521 CG PHE A 110 16.643 -0.534 -26.236 1.00 0.00 C ATOM 522 CD1 PHE A 110 15.638 -0.543 -25.264 1.00 0.00 C ATOM 523 CD2 PHE A 110 17.941 -0.129 -25.898 1.00 0.00 C ATOM 524 CE1 PHE A 110 15.928 -0.145 -23.954 1.00 0.00 C ATOM 525 CE2 PHE A 110 18.231 0.269 -24.588 1.00 0.00 C ATOM 526 CZ PHE A 110 17.224 0.262 -23.616 1.00 0.00 C ATOM 0 H PHE A 110 13.753 -0.632 -27.740 1.00 0.00 H new ATOM 0 HA PHE A 110 16.097 1.109 -28.198 1.00 0.00 H new ATOM 0 HB2 PHE A 110 15.719 -1.868 -27.639 1.00 0.00 H new ATOM 0 HB3 PHE A 110 17.251 -1.210 -28.179 1.00 0.00 H new ATOM 0 HD1 PHE A 110 14.638 -0.857 -25.524 1.00 0.00 H new ATOM 0 HD2 PHE A 110 18.718 -0.124 -26.648 1.00 0.00 H new ATOM 0 HE1 PHE A 110 15.151 -0.152 -23.203 1.00 0.00 H new ATOM 0 HE2 PHE A 110 19.231 0.581 -24.327 1.00 0.00 H new ATOM 0 HZ PHE A 110 17.447 0.571 -22.605 1.00 0.00 H new ATOM 536 N ILE A 111 16.547 0.471 -30.583 1.00 0.00 N ATOM 537 CA ILE A 111 16.647 0.275 -32.025 1.00 0.00 C ATOM 538 C ILE A 111 17.989 -0.359 -32.379 1.00 0.00 C ATOM 539 O ILE A 111 19.048 0.200 -32.091 1.00 0.00 O ATOM 540 CB ILE A 111 16.505 1.613 -32.749 1.00 0.00 C ATOM 541 CG1 ILE A 111 15.165 2.250 -32.381 1.00 0.00 C ATOM 542 CG2 ILE A 111 16.563 1.384 -34.258 1.00 0.00 C ATOM 543 CD1 ILE A 111 15.103 3.672 -32.941 1.00 0.00 C ATOM 0 H ILE A 111 17.258 1.085 -30.186 1.00 0.00 H new ATOM 0 HA ILE A 111 15.844 -0.390 -32.341 1.00 0.00 H new ATOM 0 HB ILE A 111 17.317 2.276 -32.451 1.00 0.00 H new ATOM 0 HG12 ILE A 111 14.345 1.654 -32.782 1.00 0.00 H new ATOM 0 HG13 ILE A 111 15.045 2.269 -31.298 1.00 0.00 H new ATOM 0 HG21 ILE A 111 16.462 2.338 -34.775 1.00 0.00 H new ATOM 0 HG22 ILE A 111 17.518 0.929 -34.520 1.00 0.00 H new ATOM 0 HG23 ILE A 111 15.751 0.721 -34.557 1.00 0.00 H new ATOM 0 HD11 ILE A 111 14.147 4.125 -32.678 1.00 0.00 H new ATOM 0 HD12 ILE A 111 15.914 4.265 -32.519 1.00 0.00 H new ATOM 0 HD13 ILE A 111 15.203 3.640 -34.026 1.00 0.00 H new ATOM 555 N SER A 112 17.937 -1.531 -33.006 1.00 0.00 N ATOM 556 CA SER A 112 19.152 -2.233 -33.390 1.00 0.00 C ATOM 557 C SER A 112 19.786 -1.576 -34.613 1.00 0.00 C ATOM 558 O SER A 112 19.239 -0.628 -35.177 1.00 0.00 O ATOM 559 CB SER A 112 18.839 -3.696 -33.702 1.00 0.00 C ATOM 560 OG SER A 112 18.896 -3.899 -35.110 1.00 0.00 O ATOM 0 H SER A 112 17.072 -2.010 -33.256 1.00 0.00 H new ATOM 0 HA SER A 112 19.853 -2.183 -32.557 1.00 0.00 H new ATOM 0 HB2 SER A 112 19.554 -4.348 -33.200 1.00 0.00 H new ATOM 0 HB3 SER A 112 17.850 -3.957 -33.325 1.00 0.00 H new ATOM 0 HG SER A 112 18.697 -4.837 -35.314 1.00 0.00 H new ATOM 566 N PRO A 113 20.926 -2.056 -35.021 1.00 0.00 N ATOM 567 CA PRO A 113 21.665 -1.504 -36.197 1.00 0.00 C ATOM 568 C PRO A 113 20.826 -1.537 -37.471 1.00 0.00 C ATOM 569 O PRO A 113 21.041 -0.746 -38.388 1.00 0.00 O ATOM 570 CB PRO A 113 22.887 -2.420 -36.323 1.00 0.00 C ATOM 571 CG PRO A 113 23.053 -3.046 -34.980 1.00 0.00 C ATOM 572 CD PRO A 113 21.644 -3.188 -34.416 1.00 0.00 C ATOM 0 HA PRO A 113 21.927 -0.455 -36.059 1.00 0.00 H new ATOM 0 HB2 PRO A 113 22.733 -3.176 -37.093 1.00 0.00 H new ATOM 0 HB3 PRO A 113 23.775 -1.854 -36.605 1.00 0.00 H new ATOM 0 HG2 PRO A 113 23.543 -4.016 -35.058 1.00 0.00 H new ATOM 0 HG3 PRO A 113 23.674 -2.426 -34.333 1.00 0.00 H new ATOM 0 HD2 PRO A 113 21.195 -4.143 -34.690 1.00 0.00 H new ATOM 0 HD3 PRO A 113 21.638 -3.133 -33.327 1.00 0.00 H new ATOM 580 N GLN A 114 19.871 -2.461 -37.521 1.00 0.00 N ATOM 581 CA GLN A 114 19.008 -2.589 -38.691 1.00 0.00 C ATOM 582 C GLN A 114 18.015 -1.435 -38.750 1.00 0.00 C ATOM 583 O GLN A 114 17.446 -1.147 -39.804 1.00 0.00 O ATOM 584 CB GLN A 114 18.248 -3.917 -38.631 1.00 0.00 C ATOM 585 CG GLN A 114 19.239 -5.079 -38.697 1.00 0.00 C ATOM 586 CD GLN A 114 19.965 -5.077 -40.038 1.00 0.00 C ATOM 587 OE1 GLN A 114 19.336 -4.900 -41.081 1.00 0.00 O ATOM 588 NE2 GLN A 114 21.255 -5.261 -40.073 1.00 0.00 N ATOM 0 H GLN A 114 19.676 -3.126 -36.773 1.00 0.00 H new ATOM 0 HA GLN A 114 19.629 -2.564 -39.586 1.00 0.00 H new ATOM 0 HB2 GLN A 114 17.667 -3.974 -37.711 1.00 0.00 H new ATOM 0 HB3 GLN A 114 17.542 -3.981 -39.459 1.00 0.00 H new ATOM 0 HG2 GLN A 114 19.961 -4.997 -37.884 1.00 0.00 H new ATOM 0 HG3 GLN A 114 18.712 -6.024 -38.562 1.00 0.00 H new ATOM 0 HE21 GLN A 114 21.773 -5.407 -39.207 1.00 0.00 H new ATOM 0 HE22 GLN A 114 21.746 -5.259 -40.967 1.00 0.00 H new ATOM 597 N GLY A 115 17.809 -0.776 -37.612 1.00 0.00 N ATOM 598 CA GLY A 115 16.877 0.344 -37.551 1.00 0.00 C ATOM 599 C GLY A 115 15.470 -0.133 -37.211 1.00 0.00 C ATOM 600 O GLY A 115 14.488 0.560 -37.475 1.00 0.00 O ATOM 0 H GLY A 115 18.270 -0.996 -36.729 1.00 0.00 H new ATOM 0 HA2 GLY A 115 17.213 1.061 -36.801 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.867 0.865 -38.508 1.00 0.00 H new ATOM 604 N LEU A 116 15.379 -1.324 -36.628 1.00 0.00 N ATOM 605 CA LEU A 116 14.087 -1.886 -36.260 1.00 0.00 C ATOM 606 C LEU A 116 13.729 -1.527 -34.822 1.00 0.00 C ATOM 607 O LEU A 116 14.580 -1.564 -33.934 1.00 0.00 O ATOM 608 CB LEU A 116 14.116 -3.410 -36.416 1.00 0.00 C ATOM 609 CG LEU A 116 13.434 -3.807 -37.726 1.00 0.00 C ATOM 610 CD1 LEU A 116 11.939 -3.482 -37.646 1.00 0.00 C ATOM 611 CD2 LEU A 116 14.063 -3.026 -38.884 1.00 0.00 C ATOM 0 H LEU A 116 16.180 -1.914 -36.402 1.00 0.00 H new ATOM 0 HA LEU A 116 13.331 -1.466 -36.923 1.00 0.00 H new ATOM 0 HB2 LEU A 116 15.146 -3.766 -36.408 1.00 0.00 H new ATOM 0 HB3 LEU A 116 13.609 -3.881 -35.574 1.00 0.00 H new ATOM 0 HG LEU A 116 13.564 -4.876 -37.893 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.455 -3.766 -38.580 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.490 -4.036 -36.822 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.807 -2.413 -37.479 1.00 0.00 H new ATOM 0 HD21 LEU A 116 13.578 -3.308 -39.819 1.00 0.00 H new ATOM 0 HD22 LEU A 116 13.932 -1.957 -38.715 1.00 0.00 H new ATOM 0 HD23 LEU A 116 15.127 -3.257 -38.943 1.00 0.00 H new ATOM 623 N LYS A 117 12.465 -1.183 -34.600 1.00 0.00 N ATOM 624 CA LYS A 117 12.004 -0.823 -33.263 1.00 0.00 C ATOM 625 C LYS A 117 11.518 -2.059 -32.514 1.00 0.00 C ATOM 626 O LYS A 117 10.823 -2.904 -33.078 1.00 0.00 O ATOM 627 CB LYS A 117 10.870 0.196 -33.359 1.00 0.00 C ATOM 628 CG LYS A 117 11.455 1.593 -33.584 1.00 0.00 C ATOM 629 CD LYS A 117 10.319 2.603 -33.759 1.00 0.00 C ATOM 630 CE LYS A 117 9.867 2.615 -35.221 1.00 0.00 C ATOM 631 NZ LYS A 117 8.830 3.667 -35.411 1.00 0.00 N ATOM 0 H LYS A 117 11.746 -1.146 -35.322 1.00 0.00 H new ATOM 0 HA LYS A 117 12.839 -0.386 -32.716 1.00 0.00 H new ATOM 0 HB2 LYS A 117 10.200 -0.066 -34.178 1.00 0.00 H new ATOM 0 HB3 LYS A 117 10.276 0.182 -32.445 1.00 0.00 H new ATOM 0 HG2 LYS A 117 12.080 1.877 -32.738 1.00 0.00 H new ATOM 0 HG3 LYS A 117 12.094 1.593 -34.467 1.00 0.00 H new ATOM 0 HD2 LYS A 117 9.483 2.341 -33.111 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.653 3.597 -33.462 1.00 0.00 H new ATOM 0 HE2 LYS A 117 10.718 2.806 -35.874 1.00 0.00 H new ATOM 0 HE3 LYS A 117 9.466 1.640 -35.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 8.522 3.676 -36.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 8.015 3.465 -34.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 9.228 4.595 -35.164 1.00 0.00 H new ATOM 645 N PHE A 118 11.893 -2.158 -31.243 1.00 0.00 N ATOM 646 CA PHE A 118 11.487 -3.292 -30.422 1.00 0.00 C ATOM 647 C PHE A 118 10.937 -2.821 -29.082 1.00 0.00 C ATOM 648 O PHE A 118 11.572 -2.033 -28.383 1.00 0.00 O ATOM 649 CB PHE A 118 12.682 -4.219 -30.187 1.00 0.00 C ATOM 650 CG PHE A 118 13.134 -4.807 -31.503 1.00 0.00 C ATOM 651 CD1 PHE A 118 12.406 -5.849 -32.086 1.00 0.00 C ATOM 652 CD2 PHE A 118 14.276 -4.310 -32.139 1.00 0.00 C ATOM 653 CE1 PHE A 118 12.819 -6.397 -33.306 1.00 0.00 C ATOM 654 CE2 PHE A 118 14.691 -4.857 -33.359 1.00 0.00 C ATOM 655 CZ PHE A 118 13.964 -5.899 -33.942 1.00 0.00 C ATOM 0 H PHE A 118 12.474 -1.471 -30.762 1.00 0.00 H new ATOM 0 HA PHE A 118 10.702 -3.833 -30.950 1.00 0.00 H new ATOM 0 HB2 PHE A 118 13.499 -3.665 -29.725 1.00 0.00 H new ATOM 0 HB3 PHE A 118 12.406 -5.016 -29.497 1.00 0.00 H new ATOM 0 HD1 PHE A 118 11.524 -6.231 -31.594 1.00 0.00 H new ATOM 0 HD2 PHE A 118 14.838 -3.505 -31.689 1.00 0.00 H new ATOM 0 HE1 PHE A 118 12.257 -7.202 -33.756 1.00 0.00 H new ATOM 0 HE2 PHE A 118 15.573 -4.474 -33.850 1.00 0.00 H new ATOM 0 HZ PHE A 118 14.285 -6.320 -34.883 1.00 0.00 H new ATOM 665 N ARG A 119 9.756 -3.313 -28.726 1.00 0.00 N ATOM 666 CA ARG A 119 9.133 -2.941 -27.460 1.00 0.00 C ATOM 667 C ARG A 119 8.596 -4.180 -26.747 1.00 0.00 C ATOM 668 O ARG A 119 7.963 -4.079 -25.695 1.00 0.00 O ATOM 669 CB ARG A 119 7.989 -1.957 -27.705 1.00 0.00 C ATOM 670 CG ARG A 119 7.726 -1.152 -26.430 1.00 0.00 C ATOM 671 CD ARG A 119 6.250 -0.759 -26.368 1.00 0.00 C ATOM 672 NE ARG A 119 5.413 -1.954 -26.342 1.00 0.00 N ATOM 673 CZ ARG A 119 4.100 -1.870 -26.151 1.00 0.00 C ATOM 674 NH1 ARG A 119 3.540 -0.704 -25.984 1.00 0.00 N ATOM 675 NH2 ARG A 119 3.371 -2.952 -26.146 1.00 0.00 N ATOM 0 H ARG A 119 9.213 -3.966 -29.291 1.00 0.00 H new ATOM 0 HA ARG A 119 9.887 -2.467 -26.831 1.00 0.00 H new ATOM 0 HB2 ARG A 119 8.242 -1.286 -28.526 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.089 -2.496 -28.000 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.993 -1.742 -25.553 1.00 0.00 H new ATOM 0 HG3 ARG A 119 8.351 -0.259 -26.416 1.00 0.00 H new ATOM 0 HD2 ARG A 119 6.063 -0.156 -25.480 1.00 0.00 H new ATOM 0 HD3 ARG A 119 5.993 -0.144 -27.231 1.00 0.00 H new ATOM 0 HE ARG A 119 5.843 -2.870 -26.473 1.00 0.00 H new ATOM 0 HH11 ARG A 119 4.109 0.142 -26.000 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.533 -0.638 -25.837 1.00 0.00 H new ATOM 0 HH21 ARG A 119 3.808 -3.862 -26.289 1.00 0.00 H new ATOM 0 HH22 ARG A 119 2.364 -2.888 -25.999 1.00 0.00 H new ATOM 689 N SER A 120 8.849 -5.348 -27.328 1.00 0.00 N ATOM 690 CA SER A 120 8.384 -6.599 -26.738 1.00 0.00 C ATOM 691 C SER A 120 9.455 -7.678 -26.849 1.00 0.00 C ATOM 692 O SER A 120 10.235 -7.694 -27.801 1.00 0.00 O ATOM 693 CB SER A 120 7.110 -7.064 -27.448 1.00 0.00 C ATOM 694 OG SER A 120 6.088 -6.092 -27.259 1.00 0.00 O ATOM 0 H SER A 120 9.369 -5.455 -28.199 1.00 0.00 H new ATOM 0 HA SER A 120 8.172 -6.426 -25.683 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.303 -7.205 -28.512 1.00 0.00 H new ATOM 0 HB3 SER A 120 6.790 -8.028 -27.052 1.00 0.00 H new ATOM 0 HG SER A 120 5.270 -6.384 -27.713 1.00 0.00 H new ATOM 700 N LYS A 121 9.480 -8.581 -25.877 1.00 0.00 N ATOM 701 CA LYS A 121 10.448 -9.670 -25.885 1.00 0.00 C ATOM 702 C LYS A 121 10.267 -10.545 -27.119 1.00 0.00 C ATOM 703 O LYS A 121 11.242 -10.937 -27.761 1.00 0.00 O ATOM 704 CB LYS A 121 10.294 -10.517 -24.621 1.00 0.00 C ATOM 705 CG LYS A 121 11.109 -11.804 -24.764 1.00 0.00 C ATOM 706 CD LYS A 121 11.266 -12.468 -23.394 1.00 0.00 C ATOM 707 CE LYS A 121 11.326 -13.987 -23.565 1.00 0.00 C ATOM 708 NZ LYS A 121 12.351 -14.333 -24.590 1.00 0.00 N ATOM 0 H LYS A 121 8.846 -8.581 -25.078 1.00 0.00 H new ATOM 0 HA LYS A 121 11.449 -9.239 -25.910 1.00 0.00 H new ATOM 0 HB2 LYS A 121 10.633 -9.955 -23.751 1.00 0.00 H new ATOM 0 HB3 LYS A 121 9.243 -10.756 -24.457 1.00 0.00 H new ATOM 0 HG2 LYS A 121 10.613 -12.486 -25.455 1.00 0.00 H new ATOM 0 HG3 LYS A 121 12.089 -11.581 -25.185 1.00 0.00 H new ATOM 0 HD2 LYS A 121 12.173 -12.110 -22.907 1.00 0.00 H new ATOM 0 HD3 LYS A 121 10.430 -12.197 -22.749 1.00 0.00 H new ATOM 0 HE2 LYS A 121 11.572 -14.461 -22.615 1.00 0.00 H new ATOM 0 HE3 LYS A 121 10.351 -14.368 -23.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 11.985 -15.086 -25.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 12.567 -13.492 -25.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 13.217 -14.662 -24.118 1.00 0.00 H new ATOM 722 N SER A 122 9.014 -10.863 -27.435 1.00 0.00 N ATOM 723 CA SER A 122 8.726 -11.716 -28.584 1.00 0.00 C ATOM 724 C SER A 122 9.282 -11.094 -29.859 1.00 0.00 C ATOM 725 O SER A 122 10.031 -11.735 -30.591 1.00 0.00 O ATOM 726 CB SER A 122 7.214 -11.892 -28.723 1.00 0.00 C ATOM 727 OG SER A 122 6.715 -12.593 -27.593 1.00 0.00 O ATOM 0 H SER A 122 8.192 -10.548 -26.919 1.00 0.00 H new ATOM 0 HA SER A 122 9.198 -12.686 -28.429 1.00 0.00 H new ATOM 0 HB2 SER A 122 6.729 -10.919 -28.804 1.00 0.00 H new ATOM 0 HB3 SER A 122 6.983 -12.440 -29.636 1.00 0.00 H new ATOM 0 HG SER A 122 5.745 -12.705 -27.680 1.00 0.00 H new ATOM 733 N SER A 123 8.925 -9.839 -30.110 1.00 0.00 N ATOM 734 CA SER A 123 9.402 -9.153 -31.304 1.00 0.00 C ATOM 735 C SER A 123 10.918 -9.265 -31.408 1.00 0.00 C ATOM 736 O SER A 123 11.451 -9.631 -32.457 1.00 0.00 O ATOM 737 CB SER A 123 9.013 -7.671 -31.232 1.00 0.00 C ATOM 738 OG SER A 123 9.474 -7.007 -32.401 1.00 0.00 O ATOM 0 H SER A 123 8.315 -9.283 -29.511 1.00 0.00 H new ATOM 0 HA SER A 123 8.948 -9.616 -32.180 1.00 0.00 H new ATOM 0 HB2 SER A 123 7.931 -7.571 -31.146 1.00 0.00 H new ATOM 0 HB3 SER A 123 9.447 -7.212 -30.344 1.00 0.00 H new ATOM 0 HG SER A 123 9.226 -6.060 -32.359 1.00 0.00 H new ATOM 744 N LEU A 124 11.611 -8.960 -30.314 1.00 0.00 N ATOM 745 CA LEU A 124 13.065 -9.036 -30.304 1.00 0.00 C ATOM 746 C LEU A 124 13.533 -10.468 -30.545 1.00 0.00 C ATOM 747 O LEU A 124 14.428 -10.712 -31.351 1.00 0.00 O ATOM 748 CB LEU A 124 13.603 -8.540 -28.959 1.00 0.00 C ATOM 749 CG LEU A 124 15.134 -8.597 -28.962 1.00 0.00 C ATOM 750 CD1 LEU A 124 15.676 -7.684 -30.067 1.00 0.00 C ATOM 751 CD2 LEU A 124 15.664 -8.124 -27.609 1.00 0.00 C ATOM 0 H LEU A 124 11.193 -8.661 -29.433 1.00 0.00 H new ATOM 0 HA LEU A 124 13.448 -8.404 -31.106 1.00 0.00 H new ATOM 0 HB2 LEU A 124 13.268 -7.519 -28.777 1.00 0.00 H new ATOM 0 HB3 LEU A 124 13.208 -9.154 -28.150 1.00 0.00 H new ATOM 0 HG LEU A 124 15.459 -9.622 -29.143 1.00 0.00 H new ATOM 0 HD11 LEU A 124 16.765 -7.724 -30.070 1.00 0.00 H new ATOM 0 HD12 LEU A 124 15.298 -8.018 -31.033 1.00 0.00 H new ATOM 0 HD13 LEU A 124 15.351 -6.660 -29.885 1.00 0.00 H new ATOM 0 HD21 LEU A 124 16.753 -8.164 -27.611 1.00 0.00 H new ATOM 0 HD22 LEU A 124 15.339 -7.099 -27.429 1.00 0.00 H new ATOM 0 HD23 LEU A 124 15.278 -8.771 -26.821 1.00 0.00 H new ATOM 763 N ALA A 125 12.923 -11.411 -29.839 1.00 0.00 N ATOM 764 CA ALA A 125 13.285 -12.815 -29.977 1.00 0.00 C ATOM 765 C ALA A 125 13.077 -13.277 -31.416 1.00 0.00 C ATOM 766 O ALA A 125 13.786 -14.154 -31.904 1.00 0.00 O ATOM 767 CB ALA A 125 12.440 -13.671 -29.031 1.00 0.00 C ATOM 0 H ALA A 125 12.177 -11.230 -29.167 1.00 0.00 H new ATOM 0 HA ALA A 125 14.338 -12.929 -29.718 1.00 0.00 H new ATOM 0 HB1 ALA A 125 12.718 -14.719 -29.142 1.00 0.00 H new ATOM 0 HB2 ALA A 125 12.614 -13.356 -28.002 1.00 0.00 H new ATOM 0 HB3 ALA A 125 11.385 -13.548 -29.274 1.00 0.00 H new ATOM 773 N ASN A 126 12.091 -12.686 -32.083 1.00 0.00 N ATOM 774 CA ASN A 126 11.792 -13.042 -33.468 1.00 0.00 C ATOM 775 C ASN A 126 12.864 -12.498 -34.405 1.00 0.00 C ATOM 776 O ASN A 126 13.373 -13.211 -35.263 1.00 0.00 O ATOM 777 CB ASN A 126 10.426 -12.491 -33.868 1.00 0.00 C ATOM 778 CG ASN A 126 10.072 -12.952 -35.276 1.00 0.00 C ATOM 779 OD1 ASN A 126 10.691 -12.515 -36.247 1.00 0.00 O ATOM 780 ND2 ASN A 126 9.107 -13.813 -35.448 1.00 0.00 N ATOM 0 H ASN A 126 11.488 -11.963 -31.691 1.00 0.00 H new ATOM 0 HA ASN A 126 11.777 -14.129 -33.548 1.00 0.00 H new ATOM 0 HB2 ASN A 126 9.667 -12.831 -33.163 1.00 0.00 H new ATOM 0 HB3 ASN A 126 10.437 -11.402 -33.825 1.00 0.00 H new ATOM 0 HD21 ASN A 126 8.864 -14.126 -36.388 1.00 0.00 H new ATOM 0 HD22 ASN A 126 8.596 -14.174 -34.642 1.00 0.00 H new ATOM 787 N TYR A 127 13.205 -11.225 -34.228 1.00 0.00 N ATOM 788 CA TYR A 127 14.226 -10.594 -35.051 1.00 0.00 C ATOM 789 C TYR A 127 15.552 -11.329 -34.913 1.00 0.00 C ATOM 790 O TYR A 127 16.223 -11.612 -35.908 1.00 0.00 O ATOM 791 CB TYR A 127 14.401 -9.131 -34.642 1.00 0.00 C ATOM 792 CG TYR A 127 15.745 -8.632 -35.117 1.00 0.00 C ATOM 793 CD1 TYR A 127 15.979 -8.429 -36.480 1.00 0.00 C ATOM 794 CD2 TYR A 127 16.760 -8.375 -34.186 1.00 0.00 C ATOM 795 CE1 TYR A 127 17.228 -7.969 -36.913 1.00 0.00 C ATOM 796 CE2 TYR A 127 18.007 -7.914 -34.618 1.00 0.00 C ATOM 797 CZ TYR A 127 18.243 -7.710 -35.982 1.00 0.00 C ATOM 798 OH TYR A 127 19.474 -7.257 -36.410 1.00 0.00 O ATOM 0 H TYR A 127 12.790 -10.614 -33.524 1.00 0.00 H new ATOM 0 HA TYR A 127 13.906 -10.639 -36.092 1.00 0.00 H new ATOM 0 HB2 TYR A 127 13.604 -8.524 -35.071 1.00 0.00 H new ATOM 0 HB3 TYR A 127 14.327 -9.034 -33.559 1.00 0.00 H new ATOM 0 HD1 TYR A 127 15.197 -8.627 -37.198 1.00 0.00 H new ATOM 0 HD2 TYR A 127 16.579 -8.533 -33.133 1.00 0.00 H new ATOM 0 HE1 TYR A 127 17.410 -7.813 -37.966 1.00 0.00 H new ATOM 0 HE2 TYR A 127 18.788 -7.715 -33.899 1.00 0.00 H new ATOM 0 HH TYR A 127 19.830 -7.869 -37.087 1.00 0.00 H new ATOM 808 N LEU A 128 15.931 -11.628 -33.673 1.00 0.00 N ATOM 809 CA LEU A 128 17.193 -12.319 -33.423 1.00 0.00 C ATOM 810 C LEU A 128 17.200 -13.684 -34.108 1.00 0.00 C ATOM 811 O LEU A 128 18.130 -14.010 -34.842 1.00 0.00 O ATOM 812 CB LEU A 128 17.381 -12.509 -31.913 1.00 0.00 C ATOM 813 CG LEU A 128 17.565 -11.144 -31.246 1.00 0.00 C ATOM 814 CD1 LEU A 128 17.608 -11.319 -29.728 1.00 0.00 C ATOM 815 CD2 LEU A 128 18.872 -10.511 -31.724 1.00 0.00 C ATOM 0 H LEU A 128 15.391 -11.407 -32.836 1.00 0.00 H new ATOM 0 HA LEU A 128 18.007 -11.717 -33.826 1.00 0.00 H new ATOM 0 HB2 LEU A 128 16.516 -13.019 -31.489 1.00 0.00 H new ATOM 0 HB3 LEU A 128 18.249 -13.140 -31.720 1.00 0.00 H new ATOM 0 HG LEU A 128 16.730 -10.496 -31.514 1.00 0.00 H new ATOM 0 HD11 LEU A 128 17.739 -10.347 -29.253 1.00 0.00 H new ATOM 0 HD12 LEU A 128 16.675 -11.767 -29.387 1.00 0.00 H new ATOM 0 HD13 LEU A 128 18.441 -11.969 -29.460 1.00 0.00 H new ATOM 0 HD21 LEU A 128 19.001 -9.539 -31.248 1.00 0.00 H new ATOM 0 HD22 LEU A 128 19.708 -11.159 -31.459 1.00 0.00 H new ATOM 0 HD23 LEU A 128 18.840 -10.383 -32.806 1.00 0.00 H new ATOM 827 N HIS A 129 16.151 -14.461 -33.881 1.00 0.00 N ATOM 828 CA HIS A 129 16.033 -15.774 -34.499 1.00 0.00 C ATOM 829 C HIS A 129 15.979 -15.640 -36.019 1.00 0.00 C ATOM 830 O HIS A 129 16.470 -16.500 -36.749 1.00 0.00 O ATOM 831 CB HIS A 129 14.777 -16.486 -33.998 1.00 0.00 C ATOM 832 CG HIS A 129 14.693 -17.853 -34.618 1.00 0.00 C ATOM 833 ND1 HIS A 129 15.558 -18.879 -34.267 1.00 0.00 N ATOM 834 CD2 HIS A 129 13.853 -18.381 -35.567 1.00 0.00 C ATOM 835 CE1 HIS A 129 15.220 -19.960 -34.993 1.00 0.00 C ATOM 836 NE2 HIS A 129 14.188 -19.712 -35.803 1.00 0.00 N ATOM 0 H HIS A 129 15.371 -14.206 -33.275 1.00 0.00 H new ATOM 0 HA HIS A 129 16.908 -16.364 -34.225 1.00 0.00 H new ATOM 0 HB2 HIS A 129 14.802 -16.569 -32.911 1.00 0.00 H new ATOM 0 HB3 HIS A 129 13.891 -15.905 -34.253 1.00 0.00 H new ATOM 0 HD2 HIS A 129 13.053 -17.845 -36.057 1.00 0.00 H new ATOM 0 HE1 HIS A 129 15.723 -20.914 -34.928 1.00 0.00 H new ATOM 0 HE2 HIS A 129 13.741 -20.358 -36.454 1.00 0.00 H new ATOM 845 N LYS A 130 15.358 -14.562 -36.489 1.00 0.00 N ATOM 846 CA LYS A 130 15.234 -14.326 -37.921 1.00 0.00 C ATOM 847 C LYS A 130 16.598 -14.057 -38.551 1.00 0.00 C ATOM 848 O LYS A 130 16.900 -14.551 -39.636 1.00 0.00 O ATOM 849 CB LYS A 130 14.307 -13.138 -38.174 1.00 0.00 C ATOM 850 CG LYS A 130 14.089 -12.972 -39.680 1.00 0.00 C ATOM 851 CD LYS A 130 13.059 -11.868 -39.935 1.00 0.00 C ATOM 852 CE LYS A 130 13.706 -10.498 -39.711 1.00 0.00 C ATOM 853 NZ LYS A 130 12.793 -9.432 -40.202 1.00 0.00 N ATOM 0 H LYS A 130 14.936 -13.843 -35.902 1.00 0.00 H new ATOM 0 HA LYS A 130 14.813 -15.221 -38.379 1.00 0.00 H new ATOM 0 HB2 LYS A 130 13.352 -13.295 -37.673 1.00 0.00 H new ATOM 0 HB3 LYS A 130 14.741 -12.229 -37.756 1.00 0.00 H new ATOM 0 HG2 LYS A 130 15.031 -12.723 -40.168 1.00 0.00 H new ATOM 0 HG3 LYS A 130 13.744 -13.911 -40.113 1.00 0.00 H new ATOM 0 HD2 LYS A 130 12.679 -11.940 -40.954 1.00 0.00 H new ATOM 0 HD3 LYS A 130 12.206 -11.992 -39.268 1.00 0.00 H new ATOM 0 HE2 LYS A 130 13.916 -10.352 -38.651 1.00 0.00 H new ATOM 0 HE3 LYS A 130 14.660 -10.444 -40.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 13.232 -8.502 -40.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 12.614 -9.569 -41.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 11.893 -9.479 -39.683 1.00 0.00 H new ATOM 867 N ASN A 131 17.412 -13.261 -37.862 1.00 0.00 N ATOM 868 CA ASN A 131 18.736 -12.921 -38.369 1.00 0.00 C ATOM 869 C ASN A 131 19.695 -14.092 -38.191 1.00 0.00 C ATOM 870 O ASN A 131 20.803 -14.086 -38.728 1.00 0.00 O ATOM 871 CB ASN A 131 19.278 -11.695 -37.630 1.00 0.00 C ATOM 872 CG ASN A 131 20.082 -10.822 -38.587 1.00 0.00 C ATOM 873 OD1 ASN A 131 19.978 -9.596 -38.546 1.00 0.00 O ATOM 874 ND2 ASN A 131 20.883 -11.383 -39.450 1.00 0.00 N ATOM 0 H ASN A 131 17.180 -12.844 -36.961 1.00 0.00 H new ATOM 0 HA ASN A 131 18.652 -12.696 -39.432 1.00 0.00 H new ATOM 0 HB2 ASN A 131 18.453 -11.121 -37.207 1.00 0.00 H new ATOM 0 HB3 ASN A 131 19.907 -12.011 -36.797 1.00 0.00 H new ATOM 0 HD21 ASN A 131 21.425 -10.806 -40.093 1.00 0.00 H new ATOM 0 HD22 ASN A 131 20.967 -12.399 -39.482 1.00 0.00 H new ATOM 881 N GLY A 132 19.262 -15.095 -37.435 1.00 0.00 N ATOM 882 CA GLY A 132 20.089 -16.271 -37.199 1.00 0.00 C ATOM 883 C GLY A 132 20.996 -16.065 -35.991 1.00 0.00 C ATOM 884 O GLY A 132 21.652 -16.998 -35.527 1.00 0.00 O ATOM 0 H GLY A 132 18.350 -15.117 -36.979 1.00 0.00 H new ATOM 0 HA2 GLY A 132 19.453 -17.141 -37.037 1.00 0.00 H new ATOM 0 HA3 GLY A 132 20.694 -16.478 -38.082 1.00 0.00 H new ATOM 888 N GLU A 133 21.028 -14.834 -35.485 1.00 0.00 N ATOM 889 CA GLU A 133 21.859 -14.521 -34.328 1.00 0.00 C ATOM 890 C GLU A 133 21.038 -14.605 -33.046 1.00 0.00 C ATOM 891 O GLU A 133 20.240 -13.720 -32.753 1.00 0.00 O ATOM 892 CB GLU A 133 22.441 -13.111 -34.472 1.00 0.00 C ATOM 893 CG GLU A 133 23.374 -12.822 -33.296 1.00 0.00 C ATOM 894 CD GLU A 133 24.028 -11.455 -33.474 1.00 0.00 C ATOM 895 OE1 GLU A 133 23.716 -10.794 -34.450 1.00 0.00 O ATOM 896 OE2 GLU A 133 24.834 -11.093 -32.633 1.00 0.00 O ATOM 0 H GLU A 133 20.495 -14.047 -35.853 1.00 0.00 H new ATOM 0 HA GLU A 133 22.671 -15.246 -34.276 1.00 0.00 H new ATOM 0 HB2 GLU A 133 22.986 -13.025 -35.412 1.00 0.00 H new ATOM 0 HB3 GLU A 133 21.637 -12.375 -34.502 1.00 0.00 H new ATOM 0 HG2 GLU A 133 22.814 -12.847 -32.361 1.00 0.00 H new ATOM 0 HG3 GLU A 133 24.140 -13.595 -33.230 1.00 0.00 H new ATOM 903 N THR A 134 21.248 -15.674 -32.284 1.00 0.00 N ATOM 904 CA THR A 134 20.523 -15.867 -31.034 1.00 0.00 C ATOM 905 C THR A 134 21.446 -15.648 -29.838 1.00 0.00 C ATOM 906 O THR A 134 21.084 -15.944 -28.701 1.00 0.00 O ATOM 907 CB THR A 134 19.941 -17.281 -30.980 1.00 0.00 C ATOM 908 OG1 THR A 134 20.995 -18.228 -31.071 1.00 0.00 O ATOM 909 CG2 THR A 134 18.969 -17.479 -32.144 1.00 0.00 C ATOM 0 H THR A 134 21.911 -16.416 -32.509 1.00 0.00 H new ATOM 0 HA THR A 134 19.713 -15.139 -30.991 1.00 0.00 H new ATOM 0 HB THR A 134 19.408 -17.421 -30.039 1.00 0.00 H new ATOM 0 HG1 THR A 134 20.624 -19.134 -31.035 1.00 0.00 H new ATOM 0 HG21 THR A 134 18.555 -18.487 -32.105 1.00 0.00 H new ATOM 0 HG22 THR A 134 18.161 -16.751 -32.071 1.00 0.00 H new ATOM 0 HG23 THR A 134 19.498 -17.340 -33.087 1.00 0.00 H new ATOM 917 N SER A 135 22.640 -15.135 -30.106 1.00 0.00 N ATOM 918 CA SER A 135 23.611 -14.884 -29.050 1.00 0.00 C ATOM 919 C SER A 135 23.070 -13.865 -28.054 1.00 0.00 C ATOM 920 O SER A 135 23.329 -13.956 -26.854 1.00 0.00 O ATOM 921 CB SER A 135 24.921 -14.373 -29.648 1.00 0.00 C ATOM 922 OG SER A 135 25.517 -15.407 -30.422 1.00 0.00 O ATOM 0 H SER A 135 22.958 -14.885 -31.042 1.00 0.00 H new ATOM 0 HA SER A 135 23.797 -15.822 -28.527 1.00 0.00 H new ATOM 0 HB2 SER A 135 24.733 -13.498 -30.271 1.00 0.00 H new ATOM 0 HB3 SER A 135 25.599 -14.060 -28.854 1.00 0.00 H new ATOM 0 HG SER A 135 26.357 -15.083 -30.809 1.00 0.00 H new ATOM 928 N LEU A 136 22.328 -12.888 -28.561 1.00 0.00 N ATOM 929 CA LEU A 136 21.765 -11.850 -27.708 1.00 0.00 C ATOM 930 C LEU A 136 20.508 -12.348 -27.007 1.00 0.00 C ATOM 931 O LEU A 136 19.831 -13.250 -27.498 1.00 0.00 O ATOM 932 CB LEU A 136 21.426 -10.613 -28.547 1.00 0.00 C ATOM 933 CG LEU A 136 22.607 -9.638 -28.526 1.00 0.00 C ATOM 934 CD1 LEU A 136 22.780 -9.068 -27.117 1.00 0.00 C ATOM 935 CD2 LEU A 136 23.884 -10.380 -28.937 1.00 0.00 C ATOM 0 H LEU A 136 22.104 -12.793 -29.551 1.00 0.00 H new ATOM 0 HA LEU A 136 22.506 -11.589 -26.953 1.00 0.00 H new ATOM 0 HB2 LEU A 136 21.202 -10.907 -29.573 1.00 0.00 H new ATOM 0 HB3 LEU A 136 20.533 -10.127 -28.153 1.00 0.00 H new ATOM 0 HG LEU A 136 22.416 -8.822 -29.223 1.00 0.00 H new ATOM 0 HD11 LEU A 136 23.621 -8.375 -27.106 1.00 0.00 H new ATOM 0 HD12 LEU A 136 21.872 -8.542 -26.823 1.00 0.00 H new ATOM 0 HD13 LEU A 136 22.971 -9.881 -26.416 1.00 0.00 H new ATOM 0 HD21 LEU A 136 24.727 -9.689 -28.923 1.00 0.00 H new ATOM 0 HD22 LEU A 136 24.072 -11.195 -28.238 1.00 0.00 H new ATOM 0 HD23 LEU A 136 23.763 -10.784 -29.942 1.00 0.00 H new ATOM 947 N LYS A 137 20.204 -11.752 -25.858 1.00 0.00 N ATOM 948 CA LYS A 137 19.032 -12.143 -25.100 1.00 0.00 C ATOM 949 C LYS A 137 18.158 -10.930 -24.785 1.00 0.00 C ATOM 950 O LYS A 137 18.659 -9.811 -24.661 1.00 0.00 O ATOM 951 CB LYS A 137 19.450 -12.822 -23.790 1.00 0.00 C ATOM 952 CG LYS A 137 20.145 -14.148 -24.104 1.00 0.00 C ATOM 953 CD LYS A 137 20.578 -14.819 -22.800 1.00 0.00 C ATOM 954 CE LYS A 137 21.289 -16.137 -23.116 1.00 0.00 C ATOM 955 NZ LYS A 137 20.335 -17.066 -23.787 1.00 0.00 N ATOM 0 H LYS A 137 20.752 -11.002 -25.438 1.00 0.00 H new ATOM 0 HA LYS A 137 18.458 -12.843 -25.706 1.00 0.00 H new ATOM 0 HB2 LYS A 137 20.120 -12.172 -23.228 1.00 0.00 H new ATOM 0 HB3 LYS A 137 18.576 -12.997 -23.163 1.00 0.00 H new ATOM 0 HG2 LYS A 137 19.470 -14.803 -24.655 1.00 0.00 H new ATOM 0 HG3 LYS A 137 21.012 -13.974 -24.741 1.00 0.00 H new ATOM 0 HD2 LYS A 137 21.243 -14.159 -22.242 1.00 0.00 H new ATOM 0 HD3 LYS A 137 19.709 -15.004 -22.168 1.00 0.00 H new ATOM 0 HE2 LYS A 137 22.149 -15.954 -23.760 1.00 0.00 H new ATOM 0 HE3 LYS A 137 21.668 -16.587 -22.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 20.682 -18.042 -23.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 19.401 -16.989 -23.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 20.256 -16.815 -24.793 1.00 0.00 H new ATOM 969 N PRO A 138 16.879 -11.138 -24.618 1.00 0.00 N ATOM 970 CA PRO A 138 15.920 -10.049 -24.269 1.00 0.00 C ATOM 971 C PRO A 138 16.398 -9.249 -23.054 1.00 0.00 C ATOM 972 O PRO A 138 16.039 -8.084 -22.886 1.00 0.00 O ATOM 973 CB PRO A 138 14.629 -10.801 -23.940 1.00 0.00 C ATOM 974 CG PRO A 138 14.719 -12.090 -24.684 1.00 0.00 C ATOM 975 CD PRO A 138 16.194 -12.431 -24.792 1.00 0.00 C ATOM 0 HA PRO A 138 15.805 -9.323 -25.074 1.00 0.00 H new ATOM 0 HB2 PRO A 138 14.537 -10.972 -22.867 1.00 0.00 H new ATOM 0 HB3 PRO A 138 13.753 -10.230 -24.248 1.00 0.00 H new ATOM 0 HG2 PRO A 138 14.177 -12.878 -24.160 1.00 0.00 H new ATOM 0 HG3 PRO A 138 14.270 -11.998 -25.673 1.00 0.00 H new ATOM 0 HD2 PRO A 138 16.494 -13.147 -24.027 1.00 0.00 H new ATOM 0 HD3 PRO A 138 16.429 -12.879 -25.757 1.00 0.00 H new ATOM 983 N GLU A 139 17.216 -9.880 -22.217 1.00 0.00 N ATOM 984 CA GLU A 139 17.747 -9.215 -21.032 1.00 0.00 C ATOM 985 C GLU A 139 18.715 -8.103 -21.429 1.00 0.00 C ATOM 986 O GLU A 139 19.226 -7.378 -20.577 1.00 0.00 O ATOM 987 CB GLU A 139 18.469 -10.228 -20.141 1.00 0.00 C ATOM 988 CG GLU A 139 17.457 -11.228 -19.580 1.00 0.00 C ATOM 989 CD GLU A 139 16.555 -10.539 -18.562 1.00 0.00 C ATOM 990 OE1 GLU A 139 16.883 -9.435 -18.160 1.00 0.00 O ATOM 991 OE2 GLU A 139 15.551 -11.127 -18.195 1.00 0.00 O ATOM 0 H GLU A 139 17.524 -10.845 -22.336 1.00 0.00 H new ATOM 0 HA GLU A 139 16.914 -8.778 -20.482 1.00 0.00 H new ATOM 0 HB2 GLU A 139 19.234 -10.752 -20.714 1.00 0.00 H new ATOM 0 HB3 GLU A 139 18.978 -9.713 -19.326 1.00 0.00 H new ATOM 0 HG2 GLU A 139 16.856 -11.643 -20.389 1.00 0.00 H new ATOM 0 HG3 GLU A 139 17.979 -12.062 -19.111 1.00 0.00 H new ATOM 998 N ASP A 140 18.961 -7.978 -22.730 1.00 0.00 N ATOM 999 CA ASP A 140 19.869 -6.951 -23.227 1.00 0.00 C ATOM 1000 C ASP A 140 19.237 -5.568 -23.114 1.00 0.00 C ATOM 1001 O ASP A 140 19.931 -4.574 -22.897 1.00 0.00 O ATOM 1002 CB ASP A 140 20.223 -7.233 -24.689 1.00 0.00 C ATOM 1003 CG ASP A 140 21.392 -6.353 -25.121 1.00 0.00 C ATOM 1004 OD1 ASP A 140 22.092 -5.862 -24.252 1.00 0.00 O ATOM 1005 OD2 ASP A 140 21.569 -6.183 -26.317 1.00 0.00 O ATOM 0 H ASP A 140 18.549 -8.569 -23.452 1.00 0.00 H new ATOM 0 HA ASP A 140 20.774 -6.972 -22.620 1.00 0.00 H new ATOM 0 HB2 ASP A 140 20.483 -8.284 -24.813 1.00 0.00 H new ATOM 0 HB3 ASP A 140 19.358 -7.042 -25.325 1.00 0.00 H new ATOM 1010 N PHE A 141 17.915 -5.511 -23.266 1.00 0.00 N ATOM 1011 CA PHE A 141 17.203 -4.242 -23.184 1.00 0.00 C ATOM 1012 C PHE A 141 16.318 -4.204 -21.943 1.00 0.00 C ATOM 1013 O PHE A 141 15.565 -5.140 -21.678 1.00 0.00 O ATOM 1014 CB PHE A 141 16.336 -4.050 -24.432 1.00 0.00 C ATOM 1015 CG PHE A 141 15.061 -4.847 -24.288 1.00 0.00 C ATOM 1016 CD1 PHE A 141 15.027 -6.192 -24.675 1.00 0.00 C ATOM 1017 CD2 PHE A 141 13.913 -4.238 -23.768 1.00 0.00 C ATOM 1018 CE1 PHE A 141 13.844 -6.927 -24.540 1.00 0.00 C ATOM 1019 CE2 PHE A 141 12.731 -4.973 -23.634 1.00 0.00 C ATOM 1020 CZ PHE A 141 12.696 -6.319 -24.020 1.00 0.00 C ATOM 0 H PHE A 141 17.322 -6.322 -23.445 1.00 0.00 H new ATOM 0 HA PHE A 141 17.937 -3.439 -23.120 1.00 0.00 H new ATOM 0 HB2 PHE A 141 16.104 -2.994 -24.567 1.00 0.00 H new ATOM 0 HB3 PHE A 141 16.881 -4.373 -25.319 1.00 0.00 H new ATOM 0 HD1 PHE A 141 15.913 -6.662 -25.077 1.00 0.00 H new ATOM 0 HD2 PHE A 141 13.940 -3.200 -23.470 1.00 0.00 H new ATOM 0 HE1 PHE A 141 13.817 -7.965 -24.838 1.00 0.00 H new ATOM 0 HE2 PHE A 141 11.845 -4.503 -23.233 1.00 0.00 H new ATOM 0 HZ PHE A 141 11.783 -6.887 -23.916 1.00 0.00 H new ATOM 1030 N ASP A 142 16.417 -3.115 -21.188 1.00 0.00 N ATOM 1031 CA ASP A 142 15.621 -2.958 -19.975 1.00 0.00 C ATOM 1032 C ASP A 142 14.763 -1.699 -20.054 1.00 0.00 C ATOM 1033 O ASP A 142 15.243 -0.634 -20.442 1.00 0.00 O ATOM 1034 CB ASP A 142 16.534 -2.883 -18.754 1.00 0.00 C ATOM 1035 CG ASP A 142 15.701 -2.889 -17.477 1.00 0.00 C ATOM 1036 OD1 ASP A 142 14.501 -2.694 -17.575 1.00 0.00 O ATOM 1037 OD2 ASP A 142 16.275 -3.092 -16.419 1.00 0.00 O ATOM 0 H ASP A 142 17.037 -2.331 -21.393 1.00 0.00 H new ATOM 0 HA ASP A 142 14.965 -3.823 -19.881 1.00 0.00 H new ATOM 0 HB2 ASP A 142 17.223 -3.728 -18.752 1.00 0.00 H new ATOM 0 HB3 ASP A 142 17.140 -1.978 -18.798 1.00 0.00 H new ATOM 1042 N PHE A 143 13.495 -1.827 -19.681 1.00 0.00 N ATOM 1043 CA PHE A 143 12.582 -0.690 -19.712 1.00 0.00 C ATOM 1044 C PHE A 143 13.065 0.407 -18.766 1.00 0.00 C ATOM 1045 O PHE A 143 12.452 1.469 -18.666 1.00 0.00 O ATOM 1046 CB PHE A 143 11.179 -1.136 -19.300 1.00 0.00 C ATOM 1047 CG PHE A 143 10.606 -2.044 -20.361 1.00 0.00 C ATOM 1048 CD1 PHE A 143 9.976 -1.496 -21.483 1.00 0.00 C ATOM 1049 CD2 PHE A 143 10.708 -3.433 -20.223 1.00 0.00 C ATOM 1050 CE1 PHE A 143 9.446 -2.337 -22.469 1.00 0.00 C ATOM 1051 CE2 PHE A 143 10.177 -4.275 -21.209 1.00 0.00 C ATOM 1052 CZ PHE A 143 9.547 -3.726 -22.332 1.00 0.00 C ATOM 0 H PHE A 143 13.078 -2.699 -19.356 1.00 0.00 H new ATOM 0 HA PHE A 143 12.555 -0.296 -20.728 1.00 0.00 H new ATOM 0 HB2 PHE A 143 11.218 -1.657 -18.343 1.00 0.00 H new ATOM 0 HB3 PHE A 143 10.535 -0.267 -19.164 1.00 0.00 H new ATOM 0 HD1 PHE A 143 9.898 -0.424 -21.589 1.00 0.00 H new ATOM 0 HD2 PHE A 143 11.196 -3.856 -19.357 1.00 0.00 H new ATOM 0 HE1 PHE A 143 8.959 -1.914 -23.335 1.00 0.00 H new ATOM 0 HE2 PHE A 143 10.254 -5.347 -21.103 1.00 0.00 H new ATOM 0 HZ PHE A 143 9.139 -4.375 -23.093 1.00 0.00 H new