USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 962 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: B 94 SER OG : rot 169:sc= 0.324 USER MOD Set 1.2: B 100 HIS : no HD1:sc= 0.305 K(o=0.63,f=-0.0011) USER MOD Set 2.1: B 24 ASN : amide:sc= 0.0222 X(o=-0.55,f=-0.57) USER MOD Set 2.2: B 30 GLN :FLIP amide:sc= -0.571 F(o=-1.1,f=-0.55) USER MOD Single : B 10 SER OG : rot 180:sc= -0.681 USER MOD Single : B 16 HIS : no HE2:sc= -0.551! C(o=-0.55!,f=-4.6!) USER MOD Single : B 21 TYR OH : rot -175:sc= 0.0205 USER MOD Single : B 25 LYS NZ :NH3+ -162:sc= 1.59 (180deg=0.787) USER MOD Single : B 39 HIS :FLIP no HE2:sc= 0.57 F(o=-1.8!,f=0.57) USER MOD Single : B 41 ASN : amide:sc= -0.0308 K(o=-0.031,f=-0.64) USER MOD Single : B 42 THR OG1 : rot -151:sc= 1.22 USER MOD Single : B 46 THR OG1 : rot -170:sc= -2.82! USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -0.416 K(o=-0.42,f=-1.3) USER MOD Single : B 52 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : B 53 HIS : no HE2:sc= -0.126 K(o=-0.13,f=-0.89) USER MOD Single : B 56 GLN :FLIP amide:sc= -0.045 F(o=-1,f=-0.045) USER MOD Single : B 57 MET CE :methyl -148:sc= -0.199 (180deg=-0.911) USER MOD Single : B 62 SER OG : rot -98:sc= -0.537! USER MOD Single : B 64 LYS NZ :NH3+ 174:sc= -0.0179 (180deg=-0.127) USER MOD Single : B 77 THR OG1 : rot 180:sc= -0.407 USER MOD Single : B 80 GLN : amide:sc= 0.994 K(o=0.99,f=-0.72) USER MOD Single : B 85 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.61) USER MOD Single : B 102 MET CE :methyl -155:sc= -0.406 (180deg=-1.83) USER MOD Single : B 103 LYS NZ :NH3+ 171:sc=-0.00783 (180deg=-0.104) USER MOD Single : B 104 ASN :FLIP amide:sc= 0.0312 F(o=-0.7,f=0.031) USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ -118:sc= 1.18 (180deg=0.437) USER MOD Single : B 110 SER OG : rot 180:sc= 0.0151 USER MOD Single : B 117 LYS NZ :NH3+ -148:sc= 1.26 (180deg=1.15) USER MOD Single : B 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 126 N TRP B 9 -20.955 9.107 5.947 1.00 0.00 N ATOM 127 CA TRP B 9 -21.098 7.786 6.540 1.00 0.00 C ATOM 128 C TRP B 9 -21.382 7.894 8.029 1.00 0.00 C ATOM 129 O TRP B 9 -20.536 8.346 8.802 1.00 0.00 O ATOM 130 CB TRP B 9 -19.835 6.948 6.323 1.00 0.00 C ATOM 131 CG TRP B 9 -19.664 6.468 4.917 1.00 0.00 C ATOM 132 CD1 TRP B 9 -19.103 7.151 3.881 1.00 0.00 C ATOM 133 CD2 TRP B 9 -20.055 5.192 4.396 1.00 0.00 C ATOM 134 NE1 TRP B 9 -19.132 6.383 2.744 1.00 0.00 N ATOM 135 CE2 TRP B 9 -19.707 5.175 3.036 1.00 0.00 C ATOM 136 CE3 TRP B 9 -20.663 4.062 4.948 1.00 0.00 C ATOM 137 CZ2 TRP B 9 -19.949 4.075 2.218 1.00 0.00 C ATOM 138 CZ3 TRP B 9 -20.905 2.970 4.135 1.00 0.00 C ATOM 139 CH2 TRP B 9 -20.546 2.983 2.783 1.00 0.00 C ATOM 0 HA TRP B 9 -21.938 7.294 6.049 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -18.964 7.541 6.603 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -19.862 6.087 6.990 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -18.696 8.149 3.945 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -18.782 6.666 1.829 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -20.939 4.042 5.992 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -19.675 4.084 1.173 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -21.379 2.093 4.550 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -20.744 2.113 2.174 1.00 0.00 H new ATOM 150 N SER B 10 -22.580 7.498 8.421 1.00 0.00 N ATOM 151 CA SER B 10 -22.932 7.422 9.826 1.00 0.00 C ATOM 152 C SER B 10 -22.177 6.247 10.454 1.00 0.00 C ATOM 153 O SER B 10 -21.898 5.267 9.764 1.00 0.00 O ATOM 154 CB SER B 10 -24.452 7.244 9.969 1.00 0.00 C ATOM 155 OG SER B 10 -24.879 7.390 11.313 1.00 0.00 O ATOM 0 H SER B 10 -23.327 7.223 7.783 1.00 0.00 H new ATOM 0 HA SER B 10 -22.652 8.341 10.341 1.00 0.00 H new ATOM 0 HB2 SER B 10 -24.963 7.977 9.344 1.00 0.00 H new ATOM 0 HB3 SER B 10 -24.738 6.258 9.603 1.00 0.00 H new ATOM 0 HG SER B 10 -25.851 7.272 11.362 1.00 0.00 H new ATOM 161 N PRO B 11 -21.811 6.340 11.747 1.00 0.00 N ATOM 162 CA PRO B 11 -21.078 5.277 12.455 1.00 0.00 C ATOM 163 C PRO B 11 -21.621 3.873 12.173 1.00 0.00 C ATOM 164 O PRO B 11 -20.859 2.959 11.848 1.00 0.00 O ATOM 165 CB PRO B 11 -21.282 5.645 13.921 1.00 0.00 C ATOM 166 CG PRO B 11 -21.389 7.130 13.920 1.00 0.00 C ATOM 167 CD PRO B 11 -22.058 7.504 12.623 1.00 0.00 C ATOM 0 HA PRO B 11 -20.035 5.228 12.142 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -22.182 5.182 14.325 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -20.447 5.307 14.535 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -21.972 7.479 14.773 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -20.404 7.591 13.997 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -23.125 7.681 12.760 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -21.634 8.417 12.204 1.00 0.00 H new ATOM 175 N GLU B 12 -22.937 3.712 12.290 1.00 0.00 N ATOM 176 CA GLU B 12 -23.593 2.436 12.011 1.00 0.00 C ATOM 177 C GLU B 12 -23.308 1.978 10.579 1.00 0.00 C ATOM 178 O GLU B 12 -23.084 0.798 10.328 1.00 0.00 O ATOM 179 CB GLU B 12 -25.105 2.563 12.234 1.00 0.00 C ATOM 180 CG GLU B 12 -25.903 1.325 11.846 1.00 0.00 C ATOM 181 CD GLU B 12 -25.582 0.114 12.701 1.00 0.00 C ATOM 182 OE1 GLU B 12 -24.636 -0.622 12.371 1.00 0.00 O ATOM 183 OE2 GLU B 12 -26.293 -0.122 13.700 1.00 0.00 O ATOM 0 H GLU B 12 -23.574 4.455 12.578 1.00 0.00 H new ATOM 0 HA GLU B 12 -23.193 1.687 12.695 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -25.288 2.784 13.286 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -25.475 3.413 11.661 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -26.967 1.547 11.927 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -25.706 1.086 10.801 1.00 0.00 H new ATOM 190 N GLU B 13 -23.280 2.922 9.650 1.00 0.00 N ATOM 191 CA GLU B 13 -23.074 2.596 8.245 1.00 0.00 C ATOM 192 C GLU B 13 -21.626 2.175 8.006 1.00 0.00 C ATOM 193 O GLU B 13 -21.354 1.301 7.185 1.00 0.00 O ATOM 194 CB GLU B 13 -23.439 3.786 7.358 1.00 0.00 C ATOM 195 CG GLU B 13 -23.959 3.380 5.989 1.00 0.00 C ATOM 196 CD GLU B 13 -25.271 2.622 6.081 1.00 0.00 C ATOM 197 OE1 GLU B 13 -25.246 1.373 6.187 1.00 0.00 O ATOM 198 OE2 GLU B 13 -26.337 3.278 6.055 1.00 0.00 O ATOM 0 H GLU B 13 -23.397 3.917 9.842 1.00 0.00 H new ATOM 0 HA GLU B 13 -23.726 1.762 7.984 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -24.195 4.387 7.862 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -22.561 4.419 7.232 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -24.097 4.270 5.375 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -23.216 2.759 5.488 1.00 0.00 H new ATOM 205 N GLU B 14 -20.698 2.793 8.732 1.00 0.00 N ATOM 206 CA GLU B 14 -19.294 2.392 8.672 1.00 0.00 C ATOM 207 C GLU B 14 -19.141 0.970 9.203 1.00 0.00 C ATOM 208 O GLU B 14 -18.449 0.139 8.611 1.00 0.00 O ATOM 209 CB GLU B 14 -18.418 3.336 9.496 1.00 0.00 C ATOM 210 CG GLU B 14 -18.428 4.774 9.012 1.00 0.00 C ATOM 211 CD GLU B 14 -17.443 5.640 9.769 1.00 0.00 C ATOM 212 OE1 GLU B 14 -16.271 5.727 9.343 1.00 0.00 O ATOM 213 OE2 GLU B 14 -17.829 6.240 10.796 1.00 0.00 O ATOM 0 H GLU B 14 -20.890 3.569 9.365 1.00 0.00 H new ATOM 0 HA GLU B 14 -18.972 2.437 7.632 1.00 0.00 H new ATOM 0 HB2 GLU B 14 -18.752 3.311 10.533 1.00 0.00 H new ATOM 0 HB3 GLU B 14 -17.393 2.967 9.482 1.00 0.00 H new ATOM 0 HG2 GLU B 14 -18.189 4.799 7.949 1.00 0.00 H new ATOM 0 HG3 GLU B 14 -19.431 5.186 9.123 1.00 0.00 H new ATOM 220 N ALA B 15 -19.810 0.701 10.321 1.00 0.00 N ATOM 221 CA ALA B 15 -19.801 -0.623 10.925 1.00 0.00 C ATOM 222 C ALA B 15 -20.520 -1.625 10.030 1.00 0.00 C ATOM 223 O ALA B 15 -20.204 -2.805 10.024 1.00 0.00 O ATOM 224 CB ALA B 15 -20.447 -0.579 12.303 1.00 0.00 C ATOM 0 H ALA B 15 -20.368 1.389 10.828 1.00 0.00 H new ATOM 0 HA ALA B 15 -18.766 -0.946 11.037 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -20.433 -1.576 12.743 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -19.893 0.108 12.943 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -21.478 -0.237 12.211 1.00 0.00 H new ATOM 230 N HIS B 16 -21.487 -1.128 9.278 1.00 0.00 N ATOM 231 CA HIS B 16 -22.238 -1.922 8.316 1.00 0.00 C ATOM 232 C HIS B 16 -21.390 -2.213 7.083 1.00 0.00 C ATOM 233 O HIS B 16 -21.527 -3.263 6.454 1.00 0.00 O ATOM 234 CB HIS B 16 -23.518 -1.180 7.912 1.00 0.00 C ATOM 235 CG HIS B 16 -24.438 -1.970 7.035 1.00 0.00 C ATOM 236 ND1 HIS B 16 -25.339 -1.382 6.182 1.00 0.00 N ATOM 237 CD2 HIS B 16 -24.610 -3.306 6.900 1.00 0.00 C ATOM 238 CE1 HIS B 16 -26.032 -2.321 5.564 1.00 0.00 C ATOM 239 NE2 HIS B 16 -25.608 -3.500 5.981 1.00 0.00 N ATOM 0 H HIS B 16 -21.777 -0.151 9.317 1.00 0.00 H new ATOM 0 HA HIS B 16 -22.507 -2.870 8.782 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -24.056 -0.890 8.815 1.00 0.00 H new ATOM 0 HB3 HIS B 16 -23.243 -0.261 7.395 1.00 0.00 H new ATOM 0 HD1 HIS B 16 -25.455 -0.378 6.047 1.00 0.00 H new ATOM 0 HD2 HIS B 16 -24.062 -4.077 7.421 1.00 0.00 H new ATOM 0 HE1 HIS B 16 -26.815 -2.153 4.839 1.00 0.00 H new ATOM 248 N LEU B 17 -20.510 -1.281 6.747 1.00 0.00 N ATOM 249 CA LEU B 17 -19.632 -1.446 5.605 1.00 0.00 C ATOM 250 C LEU B 17 -18.655 -2.578 5.877 1.00 0.00 C ATOM 251 O LEU B 17 -18.398 -3.418 5.014 1.00 0.00 O ATOM 252 CB LEU B 17 -18.882 -0.146 5.321 1.00 0.00 C ATOM 253 CG LEU B 17 -18.137 -0.102 3.988 1.00 0.00 C ATOM 254 CD1 LEU B 17 -19.102 -0.311 2.835 1.00 0.00 C ATOM 255 CD2 LEU B 17 -17.410 1.219 3.832 1.00 0.00 C ATOM 0 H LEU B 17 -20.387 -0.403 7.251 1.00 0.00 H new ATOM 0 HA LEU B 17 -20.227 -1.694 4.726 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -19.594 0.679 5.348 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -18.166 0.025 6.125 1.00 0.00 H new ATOM 0 HG LEU B 17 -17.402 -0.907 3.976 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -18.556 -0.277 1.892 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -19.587 -1.282 2.938 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -19.857 0.475 2.845 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -16.884 1.234 2.877 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -18.130 2.037 3.863 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -16.692 1.337 4.644 1.00 0.00 H new ATOM 267 N ARG B 18 -18.142 -2.616 7.099 1.00 0.00 N ATOM 268 CA ARG B 18 -17.267 -3.689 7.506 1.00 0.00 C ATOM 269 C ARG B 18 -18.110 -4.912 7.800 1.00 0.00 C ATOM 270 O ARG B 18 -17.693 -6.029 7.540 1.00 0.00 O ATOM 271 CB ARG B 18 -16.424 -3.283 8.725 1.00 0.00 C ATOM 272 CG ARG B 18 -17.223 -2.968 9.978 1.00 0.00 C ATOM 273 CD ARG B 18 -16.375 -2.255 11.024 1.00 0.00 C ATOM 274 NE ARG B 18 -15.248 -3.068 11.485 1.00 0.00 N ATOM 275 CZ ARG B 18 -14.316 -2.636 12.342 1.00 0.00 C ATOM 276 NH1 ARG B 18 -14.369 -1.397 12.822 1.00 0.00 N ATOM 277 NH2 ARG B 18 -13.333 -3.446 12.718 1.00 0.00 N ATOM 0 H ARG B 18 -18.320 -1.915 7.818 1.00 0.00 H new ATOM 0 HA ARG B 18 -16.567 -3.917 6.702 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -15.725 -4.089 8.950 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -15.828 -2.409 8.462 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -18.078 -2.345 9.717 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -17.619 -3.892 10.399 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -15.998 -1.322 10.606 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -17.001 -1.992 11.876 1.00 0.00 H new ATOM 0 HE ARG B 18 -15.169 -4.021 11.131 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -15.123 -0.771 12.537 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -13.656 -1.072 13.475 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -13.289 -4.398 12.353 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -12.622 -3.117 13.371 1.00 0.00 H new ATOM 291 N GLU B 19 -19.323 -4.671 8.288 1.00 0.00 N ATOM 292 CA GLU B 19 -20.259 -5.733 8.618 1.00 0.00 C ATOM 293 C GLU B 19 -20.418 -6.691 7.440 1.00 0.00 C ATOM 294 O GLU B 19 -20.162 -7.893 7.545 1.00 0.00 O ATOM 295 CB GLU B 19 -21.620 -5.141 8.989 1.00 0.00 C ATOM 296 CG GLU B 19 -22.617 -6.166 9.486 1.00 0.00 C ATOM 297 CD GLU B 19 -22.197 -6.796 10.802 1.00 0.00 C ATOM 298 OE1 GLU B 19 -22.820 -6.488 11.840 1.00 0.00 O ATOM 299 OE2 GLU B 19 -21.228 -7.583 10.813 1.00 0.00 O ATOM 0 H GLU B 19 -19.682 -3.733 8.465 1.00 0.00 H new ATOM 0 HA GLU B 19 -19.864 -6.286 9.471 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -21.478 -4.383 9.759 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -22.036 -4.636 8.117 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -23.591 -5.691 9.609 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -22.735 -6.947 8.735 1.00 0.00 H new ATOM 306 N LEU B 20 -20.809 -6.128 6.307 1.00 0.00 N ATOM 307 CA LEU B 20 -21.038 -6.904 5.100 1.00 0.00 C ATOM 308 C LEU B 20 -19.727 -7.468 4.561 1.00 0.00 C ATOM 309 O LEU B 20 -19.704 -8.554 3.976 1.00 0.00 O ATOM 310 CB LEU B 20 -21.714 -6.028 4.047 1.00 0.00 C ATOM 311 CG LEU B 20 -23.069 -6.529 3.556 1.00 0.00 C ATOM 312 CD1 LEU B 20 -23.807 -5.424 2.826 1.00 0.00 C ATOM 313 CD2 LEU B 20 -22.888 -7.734 2.650 1.00 0.00 C ATOM 0 H LEU B 20 -20.975 -5.127 6.199 1.00 0.00 H new ATOM 0 HA LEU B 20 -21.691 -7.743 5.341 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -21.842 -5.027 4.459 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -21.046 -5.937 3.190 1.00 0.00 H new ATOM 0 HG LEU B 20 -23.663 -6.830 4.419 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -24.772 -5.797 2.482 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -23.963 -4.583 3.501 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -23.218 -5.097 1.969 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -23.863 -8.081 2.307 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -22.279 -7.455 1.790 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -22.392 -8.533 3.202 1.00 0.00 H new ATOM 325 N TYR B 21 -18.634 -6.740 4.773 1.00 0.00 N ATOM 326 CA TYR B 21 -17.336 -7.182 4.292 1.00 0.00 C ATOM 327 C TYR B 21 -16.894 -8.410 5.058 1.00 0.00 C ATOM 328 O TYR B 21 -16.474 -9.397 4.470 1.00 0.00 O ATOM 329 CB TYR B 21 -16.281 -6.082 4.415 1.00 0.00 C ATOM 330 CG TYR B 21 -14.905 -6.532 3.970 1.00 0.00 C ATOM 331 CD1 TYR B 21 -13.942 -6.905 4.899 1.00 0.00 C ATOM 332 CD2 TYR B 21 -14.579 -6.604 2.624 1.00 0.00 C ATOM 333 CE1 TYR B 21 -12.692 -7.334 4.499 1.00 0.00 C ATOM 334 CE2 TYR B 21 -13.328 -7.030 2.216 1.00 0.00 C ATOM 335 CZ TYR B 21 -12.389 -7.393 3.155 1.00 0.00 C ATOM 336 OH TYR B 21 -11.147 -7.829 2.753 1.00 0.00 O ATOM 0 H TYR B 21 -18.624 -5.850 5.271 1.00 0.00 H new ATOM 0 HA TYR B 21 -17.438 -7.426 3.235 1.00 0.00 H new ATOM 0 HB2 TYR B 21 -16.588 -5.223 3.818 1.00 0.00 H new ATOM 0 HB3 TYR B 21 -16.231 -5.748 5.451 1.00 0.00 H new ATOM 0 HD1 TYR B 21 -14.175 -6.859 5.953 1.00 0.00 H new ATOM 0 HD2 TYR B 21 -15.313 -6.323 1.883 1.00 0.00 H new ATOM 0 HE1 TYR B 21 -11.956 -7.622 5.235 1.00 0.00 H new ATOM 0 HE2 TYR B 21 -13.089 -7.078 1.164 1.00 0.00 H new ATOM 0 HH TYR B 21 -11.067 -7.737 1.781 1.00 0.00 H new ATOM 346 N LEU B 22 -17.021 -8.350 6.372 1.00 0.00 N ATOM 347 CA LEU B 22 -16.624 -9.452 7.233 1.00 0.00 C ATOM 348 C LEU B 22 -17.399 -10.721 6.879 1.00 0.00 C ATOM 349 O LEU B 22 -16.929 -11.833 7.120 1.00 0.00 O ATOM 350 CB LEU B 22 -16.852 -9.081 8.698 1.00 0.00 C ATOM 351 CG LEU B 22 -16.196 -7.768 9.143 1.00 0.00 C ATOM 352 CD1 LEU B 22 -16.490 -7.480 10.603 1.00 0.00 C ATOM 353 CD2 LEU B 22 -14.697 -7.790 8.895 1.00 0.00 C ATOM 0 H LEU B 22 -17.399 -7.544 6.870 1.00 0.00 H new ATOM 0 HA LEU B 22 -15.563 -9.647 7.079 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -17.925 -9.013 8.877 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -16.475 -9.889 9.325 1.00 0.00 H new ATOM 0 HG LEU B 22 -16.626 -6.966 8.543 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -16.013 -6.544 10.892 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -17.567 -7.399 10.748 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -16.101 -8.291 11.219 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -14.260 -6.846 9.221 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -14.248 -8.610 9.455 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -14.506 -7.930 7.831 1.00 0.00 H new ATOM 365 N ALA B 23 -18.574 -10.533 6.287 1.00 0.00 N ATOM 366 CA ALA B 23 -19.441 -11.640 5.914 1.00 0.00 C ATOM 367 C ALA B 23 -19.033 -12.308 4.592 1.00 0.00 C ATOM 368 O ALA B 23 -19.246 -13.509 4.422 1.00 0.00 O ATOM 369 CB ALA B 23 -20.882 -11.154 5.838 1.00 0.00 C ATOM 0 H ALA B 23 -18.949 -9.613 6.054 1.00 0.00 H new ATOM 0 HA ALA B 23 -19.341 -12.402 6.687 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -21.531 -11.984 5.558 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -21.187 -10.766 6.810 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -20.961 -10.364 5.091 1.00 0.00 H new ATOM 375 N ASN B 24 -18.459 -11.548 3.653 1.00 0.00 N ATOM 376 CA ASN B 24 -18.150 -12.094 2.325 1.00 0.00 C ATOM 377 C ASN B 24 -16.695 -11.857 1.921 1.00 0.00 C ATOM 378 O ASN B 24 -16.349 -11.979 0.746 1.00 0.00 O ATOM 379 CB ASN B 24 -19.061 -11.456 1.273 1.00 0.00 C ATOM 380 CG ASN B 24 -20.528 -11.777 1.485 1.00 0.00 C ATOM 381 OD1 ASN B 24 -21.030 -12.779 0.981 1.00 0.00 O ATOM 382 ND2 ASN B 24 -21.228 -10.922 2.219 1.00 0.00 N ATOM 0 H ASN B 24 -18.202 -10.569 3.783 1.00 0.00 H new ATOM 0 HA ASN B 24 -18.317 -13.170 2.379 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -18.925 -10.375 1.291 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -18.759 -11.799 0.283 1.00 0.00 H new ATOM 0 HD21 ASN B 24 -22.222 -11.085 2.383 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -20.773 -10.102 2.620 1.00 0.00 H new ATOM 389 N LYS B 25 -15.841 -11.555 2.887 1.00 0.00 N ATOM 390 CA LYS B 25 -14.464 -11.146 2.596 1.00 0.00 C ATOM 391 C LYS B 25 -13.609 -12.312 2.114 1.00 0.00 C ATOM 392 O LYS B 25 -12.731 -12.140 1.268 1.00 0.00 O ATOM 393 CB LYS B 25 -13.818 -10.528 3.838 1.00 0.00 C ATOM 394 CG LYS B 25 -13.671 -11.499 4.991 1.00 0.00 C ATOM 395 CD LYS B 25 -13.175 -10.814 6.247 1.00 0.00 C ATOM 396 CE LYS B 25 -12.991 -11.810 7.375 1.00 0.00 C ATOM 397 NZ LYS B 25 -14.118 -12.784 7.454 1.00 0.00 N ATOM 0 H LYS B 25 -16.071 -11.584 3.880 1.00 0.00 H new ATOM 0 HA LYS B 25 -14.514 -10.408 1.796 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -12.834 -10.142 3.572 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -14.417 -9.678 4.164 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -14.632 -11.973 5.191 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -12.977 -12.292 4.712 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -12.229 -10.313 6.042 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -13.885 -10.044 6.550 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -12.055 -12.350 7.232 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -12.908 -11.275 8.321 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -14.119 -13.238 8.389 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -15.019 -12.285 7.310 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -14.003 -13.509 6.717 1.00 0.00 H new ATOM 411 N ASP B 26 -13.865 -13.492 2.653 1.00 0.00 N ATOM 412 CA ASP B 26 -13.036 -14.651 2.353 1.00 0.00 C ATOM 413 C ASP B 26 -13.723 -15.587 1.374 1.00 0.00 C ATOM 414 O ASP B 26 -13.297 -16.727 1.185 1.00 0.00 O ATOM 415 CB ASP B 26 -12.631 -15.392 3.635 1.00 0.00 C ATOM 416 CG ASP B 26 -13.791 -15.677 4.566 1.00 0.00 C ATOM 417 OD1 ASP B 26 -13.993 -14.893 5.522 1.00 0.00 O ATOM 418 OD2 ASP B 26 -14.496 -16.686 4.366 1.00 0.00 O ATOM 0 H ASP B 26 -14.635 -13.674 3.297 1.00 0.00 H new ATOM 0 HA ASP B 26 -12.126 -14.287 1.877 1.00 0.00 H new ATOM 0 HB2 ASP B 26 -12.154 -16.334 3.364 1.00 0.00 H new ATOM 0 HB3 ASP B 26 -11.887 -14.799 4.167 1.00 0.00 H new ATOM 423 N VAL B 27 -14.770 -15.095 0.732 1.00 0.00 N ATOM 424 CA VAL B 27 -15.421 -15.843 -0.327 1.00 0.00 C ATOM 425 C VAL B 27 -14.733 -15.536 -1.646 1.00 0.00 C ATOM 426 O VAL B 27 -14.885 -14.447 -2.205 1.00 0.00 O ATOM 427 CB VAL B 27 -16.926 -15.507 -0.430 1.00 0.00 C ATOM 428 CG1 VAL B 27 -17.601 -16.368 -1.487 1.00 0.00 C ATOM 429 CG2 VAL B 27 -17.606 -15.682 0.919 1.00 0.00 C ATOM 0 H VAL B 27 -15.185 -14.184 0.926 1.00 0.00 H new ATOM 0 HA VAL B 27 -15.339 -16.905 -0.094 1.00 0.00 H new ATOM 0 HB VAL B 27 -17.022 -14.464 -0.731 1.00 0.00 H new ATOM 0 HG11 VAL B 27 -18.660 -16.114 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL B 27 -17.134 -16.188 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL B 27 -17.494 -17.420 -1.222 1.00 0.00 H new ATOM 0 HG21 VAL B 27 -18.665 -15.441 0.827 1.00 0.00 H new ATOM 0 HG22 VAL B 27 -17.496 -16.715 1.250 1.00 0.00 H new ATOM 0 HG23 VAL B 27 -17.145 -15.016 1.648 1.00 0.00 H new ATOM 439 N GLU B 28 -13.966 -16.497 -2.132 1.00 0.00 N ATOM 440 CA GLU B 28 -13.180 -16.299 -3.332 1.00 0.00 C ATOM 441 C GLU B 28 -13.955 -16.769 -4.548 1.00 0.00 C ATOM 442 O GLU B 28 -14.758 -17.700 -4.467 1.00 0.00 O ATOM 443 CB GLU B 28 -11.842 -17.028 -3.224 1.00 0.00 C ATOM 444 CG GLU B 28 -11.059 -16.655 -1.977 1.00 0.00 C ATOM 445 CD GLU B 28 -9.674 -17.261 -1.949 1.00 0.00 C ATOM 446 OE1 GLU B 28 -9.567 -18.505 -1.878 1.00 0.00 O ATOM 447 OE2 GLU B 28 -8.687 -16.497 -1.988 1.00 0.00 O ATOM 0 H GLU B 28 -13.873 -17.422 -1.712 1.00 0.00 H new ATOM 0 HA GLU B 28 -12.975 -15.234 -3.444 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -12.020 -18.103 -3.226 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -11.240 -16.803 -4.105 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -10.977 -15.570 -1.917 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -11.611 -16.982 -1.096 1.00 0.00 H new ATOM 454 N GLY B 29 -13.721 -16.111 -5.667 1.00 0.00 N ATOM 455 CA GLY B 29 -14.479 -16.389 -6.871 1.00 0.00 C ATOM 456 C GLY B 29 -15.673 -15.469 -6.976 1.00 0.00 C ATOM 457 O GLY B 29 -16.359 -15.420 -7.995 1.00 0.00 O ATOM 0 H GLY B 29 -13.014 -15.382 -5.767 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -13.840 -16.265 -7.745 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -14.813 -17.427 -6.865 1.00 0.00 H new ATOM 461 N GLN B 30 -15.911 -14.736 -5.900 1.00 0.00 N ATOM 462 CA GLN B 30 -16.999 -13.784 -5.836 1.00 0.00 C ATOM 463 C GLN B 30 -16.459 -12.366 -5.694 1.00 0.00 C ATOM 464 O GLN B 30 -15.386 -12.150 -5.124 1.00 0.00 O ATOM 465 CB GLN B 30 -17.920 -14.116 -4.654 1.00 0.00 C ATOM 466 CG GLN B 30 -18.681 -12.907 -4.128 1.00 0.00 C ATOM 467 CD GLN B 30 -19.686 -13.230 -3.053 1.00 0.00 C ATOM 468 OE1 GLN B 30 -19.832 -12.313 -2.112 1.00 0.00 O flip ATOM 469 NE2 GLN B 30 -20.300 -14.299 -3.043 1.00 0.00 N flip ATOM 0 H GLN B 30 -15.353 -14.787 -5.048 1.00 0.00 H new ATOM 0 HA GLN B 30 -17.571 -13.848 -6.762 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -18.633 -14.881 -4.961 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -17.325 -14.542 -3.846 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -17.966 -12.184 -3.736 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -19.197 -12.426 -4.959 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -20.155 -14.977 -3.791 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -20.953 -14.505 -2.287 1.00 0.00 H new ATOM 478 N ASP B 31 -17.202 -11.411 -6.237 1.00 0.00 N ATOM 479 CA ASP B 31 -16.915 -10.002 -6.033 1.00 0.00 C ATOM 480 C ASP B 31 -17.204 -9.616 -4.596 1.00 0.00 C ATOM 481 O ASP B 31 -18.368 -9.508 -4.205 1.00 0.00 O ATOM 482 CB ASP B 31 -17.788 -9.143 -6.936 1.00 0.00 C ATOM 483 CG ASP B 31 -17.395 -9.232 -8.397 1.00 0.00 C ATOM 484 OD1 ASP B 31 -16.374 -8.618 -8.775 1.00 0.00 O ATOM 485 OD2 ASP B 31 -18.106 -9.902 -9.176 1.00 0.00 O ATOM 0 H ASP B 31 -18.014 -11.592 -6.827 1.00 0.00 H new ATOM 0 HA ASP B 31 -15.863 -9.837 -6.267 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -18.828 -9.450 -6.826 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -17.726 -8.104 -6.611 1.00 0.00 H new ATOM 490 N VAL B 32 -16.168 -9.405 -3.803 1.00 0.00 N ATOM 491 CA VAL B 32 -16.379 -9.013 -2.429 1.00 0.00 C ATOM 492 C VAL B 32 -16.968 -7.611 -2.379 1.00 0.00 C ATOM 493 O VAL B 32 -17.916 -7.363 -1.648 1.00 0.00 O ATOM 494 CB VAL B 32 -15.089 -9.065 -1.578 1.00 0.00 C ATOM 495 CG1 VAL B 32 -14.111 -7.970 -1.981 1.00 0.00 C ATOM 496 CG2 VAL B 32 -15.436 -8.966 -0.102 1.00 0.00 C ATOM 0 H VAL B 32 -15.192 -9.497 -4.083 1.00 0.00 H new ATOM 0 HA VAL B 32 -17.073 -9.734 -1.998 1.00 0.00 H new ATOM 0 HB VAL B 32 -14.598 -10.021 -1.761 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -13.216 -8.036 -1.363 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -13.838 -8.094 -3.029 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -14.578 -6.995 -1.840 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -14.522 -9.003 0.490 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -15.953 -8.025 0.088 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -16.083 -9.798 0.176 1.00 0.00 H new ATOM 506 N VAL B 33 -16.438 -6.709 -3.205 1.00 0.00 N ATOM 507 CA VAL B 33 -16.852 -5.321 -3.159 1.00 0.00 C ATOM 508 C VAL B 33 -18.296 -5.180 -3.612 1.00 0.00 C ATOM 509 O VAL B 33 -19.073 -4.446 -3.006 1.00 0.00 O ATOM 510 CB VAL B 33 -15.936 -4.399 -4.002 1.00 0.00 C ATOM 511 CG1 VAL B 33 -16.033 -4.689 -5.491 1.00 0.00 C ATOM 512 CG2 VAL B 33 -16.251 -2.941 -3.718 1.00 0.00 C ATOM 0 H VAL B 33 -15.727 -6.919 -3.906 1.00 0.00 H new ATOM 0 HA VAL B 33 -16.765 -5.000 -2.121 1.00 0.00 H new ATOM 0 HB VAL B 33 -14.908 -4.607 -3.706 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -15.372 -4.016 -6.037 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -15.737 -5.721 -5.681 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -17.060 -4.539 -5.825 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -15.600 -2.305 -4.317 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -17.291 -2.737 -3.972 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -16.088 -2.733 -2.660 1.00 0.00 H new ATOM 522 N GLU B 34 -18.663 -5.922 -4.649 1.00 0.00 N ATOM 523 CA GLU B 34 -20.005 -5.847 -5.184 1.00 0.00 C ATOM 524 C GLU B 34 -20.984 -6.461 -4.198 1.00 0.00 C ATOM 525 O GLU B 34 -22.119 -6.018 -4.086 1.00 0.00 O ATOM 526 CB GLU B 34 -20.089 -6.539 -6.542 1.00 0.00 C ATOM 527 CG GLU B 34 -21.355 -6.205 -7.303 1.00 0.00 C ATOM 528 CD GLU B 34 -21.322 -6.700 -8.731 1.00 0.00 C ATOM 529 OE1 GLU B 34 -20.828 -5.959 -9.606 1.00 0.00 O ATOM 530 OE2 GLU B 34 -21.787 -7.826 -8.991 1.00 0.00 O ATOM 0 H GLU B 34 -18.049 -6.578 -5.131 1.00 0.00 H new ATOM 0 HA GLU B 34 -20.268 -4.800 -5.333 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -19.225 -6.253 -7.143 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -20.033 -7.618 -6.397 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -22.210 -6.645 -6.789 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -21.502 -5.125 -7.300 1.00 0.00 H new ATOM 537 N ALA B 35 -20.527 -7.467 -3.467 1.00 0.00 N ATOM 538 CA ALA B 35 -21.322 -8.037 -2.395 1.00 0.00 C ATOM 539 C ALA B 35 -21.644 -6.968 -1.363 1.00 0.00 C ATOM 540 O ALA B 35 -22.771 -6.869 -0.880 1.00 0.00 O ATOM 541 CB ALA B 35 -20.588 -9.194 -1.743 1.00 0.00 C ATOM 0 H ALA B 35 -19.614 -7.902 -3.597 1.00 0.00 H new ATOM 0 HA ALA B 35 -22.254 -8.416 -2.815 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -21.200 -9.608 -0.942 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -20.393 -9.967 -2.487 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -19.643 -8.840 -1.331 1.00 0.00 H new ATOM 547 N ILE B 36 -20.655 -6.146 -1.053 1.00 0.00 N ATOM 548 CA ILE B 36 -20.822 -5.115 -0.045 1.00 0.00 C ATOM 549 C ILE B 36 -21.718 -4.002 -0.568 1.00 0.00 C ATOM 550 O ILE B 36 -22.835 -3.812 -0.088 1.00 0.00 O ATOM 551 CB ILE B 36 -19.474 -4.485 0.373 1.00 0.00 C ATOM 552 CG1 ILE B 36 -18.382 -5.545 0.527 1.00 0.00 C ATOM 553 CG2 ILE B 36 -19.635 -3.696 1.664 1.00 0.00 C ATOM 554 CD1 ILE B 36 -18.785 -6.742 1.357 1.00 0.00 C ATOM 0 H ILE B 36 -19.731 -6.173 -1.484 1.00 0.00 H new ATOM 0 HA ILE B 36 -21.272 -5.599 0.822 1.00 0.00 H new ATOM 0 HB ILE B 36 -19.165 -3.804 -0.421 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -18.084 -5.889 -0.464 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -17.505 -5.083 0.980 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -18.677 -3.259 1.945 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -20.367 -2.902 1.516 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -19.977 -4.361 2.457 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -17.952 -7.442 1.414 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -19.053 -6.415 2.361 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -19.641 -7.234 0.895 1.00 0.00 H new ATOM 566 N LEU B 37 -21.236 -3.308 -1.598 1.00 0.00 N ATOM 567 CA LEU B 37 -21.880 -2.080 -2.070 1.00 0.00 C ATOM 568 C LEU B 37 -23.291 -2.312 -2.607 1.00 0.00 C ATOM 569 O LEU B 37 -24.123 -1.405 -2.595 1.00 0.00 O ATOM 570 CB LEU B 37 -21.006 -1.368 -3.114 1.00 0.00 C ATOM 571 CG LEU B 37 -20.435 -2.224 -4.250 1.00 0.00 C ATOM 572 CD1 LEU B 37 -21.495 -2.550 -5.293 1.00 0.00 C ATOM 573 CD2 LEU B 37 -19.267 -1.504 -4.892 1.00 0.00 C ATOM 0 H LEU B 37 -20.402 -3.574 -2.122 1.00 0.00 H new ATOM 0 HA LEU B 37 -21.984 -1.433 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -21.596 -0.567 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -20.172 -0.898 -2.593 1.00 0.00 H new ATOM 0 HG LEU B 37 -20.092 -3.168 -3.826 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -21.054 -3.158 -6.083 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -22.310 -3.101 -4.824 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -21.881 -1.625 -5.721 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -18.863 -2.114 -5.699 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -19.605 -0.549 -5.294 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -18.492 -1.330 -4.146 1.00 0.00 H new ATOM 585 N ALA B 38 -23.561 -3.518 -3.068 1.00 0.00 N ATOM 586 CA ALA B 38 -24.868 -3.829 -3.631 1.00 0.00 C ATOM 587 C ALA B 38 -25.888 -4.166 -2.553 1.00 0.00 C ATOM 588 O ALA B 38 -27.048 -3.774 -2.650 1.00 0.00 O ATOM 589 CB ALA B 38 -24.773 -4.970 -4.624 1.00 0.00 C ATOM 0 H ALA B 38 -22.901 -4.296 -3.066 1.00 0.00 H new ATOM 0 HA ALA B 38 -25.209 -2.933 -4.149 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -25.762 -5.183 -5.030 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -24.100 -4.691 -5.435 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -24.388 -5.858 -4.122 1.00 0.00 H new ATOM 595 N HIS B 39 -25.468 -4.884 -1.518 1.00 0.00 N ATOM 596 CA HIS B 39 -26.411 -5.305 -0.485 1.00 0.00 C ATOM 597 C HIS B 39 -26.776 -4.140 0.422 1.00 0.00 C ATOM 598 O HIS B 39 -27.882 -4.088 0.957 1.00 0.00 O ATOM 599 CB HIS B 39 -25.877 -6.479 0.337 1.00 0.00 C ATOM 600 CG HIS B 39 -25.988 -7.804 -0.361 1.00 0.00 C ATOM 601 ND1 HIS B 39 -25.124 -8.450 -1.176 1.00 0.00 N flip ATOM 602 CD2 HIS B 39 -27.095 -8.622 -0.260 1.00 0.00 C flip ATOM 603 CE1 HIS B 39 -25.714 -9.629 -1.548 1.00 0.00 C flip ATOM 604 NE2 HIS B 39 -26.903 -9.711 -0.982 1.00 0.00 N flip ATOM 0 H HIS B 39 -24.504 -5.182 -1.371 1.00 0.00 H new ATOM 0 HA HIS B 39 -27.312 -5.647 -0.994 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -24.831 -6.294 0.582 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -26.421 -6.528 1.280 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -24.202 -8.120 -1.461 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -27.980 -8.405 0.319 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -25.277 -10.371 -2.199 1.00 0.00 H new ATOM 613 N LEU B 40 -25.861 -3.193 0.589 1.00 0.00 N ATOM 614 CA LEU B 40 -26.197 -1.976 1.306 1.00 0.00 C ATOM 615 C LEU B 40 -26.524 -0.851 0.326 1.00 0.00 C ATOM 616 O LEU B 40 -25.711 0.025 0.049 1.00 0.00 O ATOM 617 CB LEU B 40 -25.101 -1.568 2.319 1.00 0.00 C ATOM 618 CG LEU B 40 -23.637 -1.840 1.935 1.00 0.00 C ATOM 619 CD1 LEU B 40 -23.114 -0.824 0.930 1.00 0.00 C ATOM 620 CD2 LEU B 40 -22.759 -1.849 3.178 1.00 0.00 C ATOM 0 H LEU B 40 -24.902 -3.243 0.245 1.00 0.00 H new ATOM 0 HA LEU B 40 -27.090 -2.175 1.898 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -25.204 -0.500 2.513 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -25.303 -2.084 3.258 1.00 0.00 H new ATOM 0 HG LEU B 40 -23.600 -2.820 1.460 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -22.077 -1.054 0.687 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -23.717 -0.866 0.023 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -23.173 0.176 1.359 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -21.725 -2.043 2.892 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -22.823 -0.881 3.675 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -23.099 -2.630 3.858 1.00 0.00 H new ATOM 632 N ASN B 41 -27.747 -0.874 -0.186 1.00 0.00 N ATOM 633 CA ASN B 41 -28.210 0.146 -1.123 1.00 0.00 C ATOM 634 C ASN B 41 -28.672 1.384 -0.359 1.00 0.00 C ATOM 635 O ASN B 41 -29.624 2.065 -0.743 1.00 0.00 O ATOM 636 CB ASN B 41 -29.342 -0.414 -1.993 1.00 0.00 C ATOM 637 CG ASN B 41 -30.483 -0.997 -1.177 1.00 0.00 C ATOM 638 OD1 ASN B 41 -30.449 -2.166 -0.795 1.00 0.00 O ATOM 639 ND2 ASN B 41 -31.507 -0.199 -0.920 1.00 0.00 N ATOM 0 H ASN B 41 -28.440 -1.590 0.032 1.00 0.00 H new ATOM 0 HA ASN B 41 -27.387 0.433 -1.777 1.00 0.00 H new ATOM 0 HB2 ASN B 41 -29.728 0.380 -2.633 1.00 0.00 H new ATOM 0 HB3 ASN B 41 -28.941 -1.186 -2.650 1.00 0.00 H new ATOM 0 HD21 ASN B 41 -32.304 -0.548 -0.388 1.00 0.00 H new ATOM 0 HD22 ASN B 41 -31.499 0.765 -1.254 1.00 0.00 H new ATOM 646 N THR B 42 -27.933 1.689 0.691 1.00 0.00 N ATOM 647 CA THR B 42 -28.219 2.816 1.556 1.00 0.00 C ATOM 648 C THR B 42 -27.413 4.031 1.102 1.00 0.00 C ATOM 649 O THR B 42 -27.773 5.177 1.371 1.00 0.00 O ATOM 650 CB THR B 42 -27.888 2.447 3.028 1.00 0.00 C ATOM 651 OG1 THR B 42 -28.046 3.573 3.902 1.00 0.00 O ATOM 652 CG2 THR B 42 -26.471 1.896 3.148 1.00 0.00 C ATOM 0 H THR B 42 -27.109 1.156 0.969 1.00 0.00 H new ATOM 0 HA THR B 42 -29.279 3.064 1.496 1.00 0.00 H new ATOM 0 HB THR B 42 -28.595 1.675 3.331 1.00 0.00 H new ATOM 0 HG1 THR B 42 -27.433 3.486 4.662 1.00 0.00 H new ATOM 0 HG21 THR B 42 -26.265 1.646 4.189 1.00 0.00 H new ATOM 0 HG22 THR B 42 -26.375 1.001 2.534 1.00 0.00 H new ATOM 0 HG23 THR B 42 -25.758 2.647 2.808 1.00 0.00 H new ATOM 660 N VAL B 43 -26.336 3.768 0.369 1.00 0.00 N ATOM 661 CA VAL B 43 -25.468 4.824 -0.119 1.00 0.00 C ATOM 662 C VAL B 43 -25.242 4.704 -1.625 1.00 0.00 C ATOM 663 O VAL B 43 -24.635 3.743 -2.096 1.00 0.00 O ATOM 664 CB VAL B 43 -24.102 4.825 0.607 1.00 0.00 C ATOM 665 CG1 VAL B 43 -24.235 5.398 2.009 1.00 0.00 C ATOM 666 CG2 VAL B 43 -23.510 3.423 0.666 1.00 0.00 C ATOM 0 H VAL B 43 -26.046 2.827 0.101 1.00 0.00 H new ATOM 0 HA VAL B 43 -25.974 5.766 0.092 1.00 0.00 H new ATOM 0 HB VAL B 43 -23.425 5.459 0.035 1.00 0.00 H new ATOM 0 HG11 VAL B 43 -23.262 5.388 2.500 1.00 0.00 H new ATOM 0 HG12 VAL B 43 -24.602 6.423 1.950 1.00 0.00 H new ATOM 0 HG13 VAL B 43 -24.937 4.794 2.584 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -22.550 3.455 1.182 1.00 0.00 H new ATOM 0 HG22 VAL B 43 -24.190 2.763 1.205 1.00 0.00 H new ATOM 0 HG23 VAL B 43 -23.366 3.046 -0.347 1.00 0.00 H new ATOM 676 N PRO B 44 -25.747 5.670 -2.402 1.00 0.00 N ATOM 677 CA PRO B 44 -25.507 5.714 -3.840 1.00 0.00 C ATOM 678 C PRO B 44 -24.112 6.251 -4.146 1.00 0.00 C ATOM 679 O PRO B 44 -23.910 7.459 -4.284 1.00 0.00 O ATOM 680 CB PRO B 44 -26.589 6.664 -4.354 1.00 0.00 C ATOM 681 CG PRO B 44 -26.891 7.565 -3.203 1.00 0.00 C ATOM 682 CD PRO B 44 -26.599 6.783 -1.944 1.00 0.00 C ATOM 0 HA PRO B 44 -25.551 4.731 -4.308 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -26.239 7.230 -5.217 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -27.477 6.117 -4.670 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -26.280 8.467 -3.248 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -27.933 7.885 -3.226 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -26.088 7.397 -1.203 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -27.515 6.419 -1.479 1.00 0.00 H new ATOM 690 N ARG B 45 -23.143 5.350 -4.214 1.00 0.00 N ATOM 691 CA ARG B 45 -21.752 5.741 -4.366 1.00 0.00 C ATOM 692 C ARG B 45 -21.062 4.930 -5.447 1.00 0.00 C ATOM 693 O ARG B 45 -21.656 4.033 -6.042 1.00 0.00 O ATOM 694 CB ARG B 45 -20.993 5.562 -3.055 1.00 0.00 C ATOM 695 CG ARG B 45 -21.546 6.373 -1.906 1.00 0.00 C ATOM 696 CD ARG B 45 -20.636 6.276 -0.703 1.00 0.00 C ATOM 697 NE ARG B 45 -21.312 6.650 0.537 1.00 0.00 N ATOM 698 CZ ARG B 45 -21.322 7.883 1.037 1.00 0.00 C ATOM 699 NH1 ARG B 45 -20.773 8.883 0.363 1.00 0.00 N ATOM 700 NH2 ARG B 45 -21.895 8.120 2.211 1.00 0.00 N ATOM 0 H ARG B 45 -23.296 4.343 -4.166 1.00 0.00 H new ATOM 0 HA ARG B 45 -21.746 6.792 -4.653 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -21.007 4.507 -2.781 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -19.950 5.837 -3.211 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -21.651 7.415 -2.207 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -22.542 6.014 -1.646 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -20.261 5.256 -0.616 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -19.771 6.923 -0.852 1.00 0.00 H new ATOM 0 HE ARG B 45 -21.807 5.921 1.051 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -20.340 8.710 -0.544 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -20.784 9.826 0.751 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -22.328 7.356 2.731 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -21.902 9.066 2.593 1.00 0.00 H new ATOM 714 N THR B 46 -19.806 5.266 -5.694 1.00 0.00 N ATOM 715 CA THR B 46 -19.000 4.550 -6.660 1.00 0.00 C ATOM 716 C THR B 46 -18.495 3.251 -6.055 1.00 0.00 C ATOM 717 O THR B 46 -18.591 3.040 -4.842 1.00 0.00 O ATOM 718 CB THR B 46 -17.796 5.397 -7.120 1.00 0.00 C ATOM 719 OG1 THR B 46 -16.876 5.583 -6.036 1.00 0.00 O ATOM 720 CG2 THR B 46 -18.260 6.754 -7.607 1.00 0.00 C ATOM 0 H THR B 46 -19.323 6.037 -5.233 1.00 0.00 H new ATOM 0 HA THR B 46 -19.627 4.337 -7.525 1.00 0.00 H new ATOM 0 HB THR B 46 -17.301 4.868 -7.934 1.00 0.00 H new ATOM 0 HG1 THR B 46 -16.201 6.247 -6.290 1.00 0.00 H new ATOM 0 HG21 THR B 46 -17.398 7.339 -7.928 1.00 0.00 H new ATOM 0 HG22 THR B 46 -18.944 6.625 -8.446 1.00 0.00 H new ATOM 0 HG23 THR B 46 -18.772 7.275 -6.798 1.00 0.00 H new ATOM 728 N ARG B 47 -17.936 2.393 -6.892 1.00 0.00 N ATOM 729 CA ARG B 47 -17.401 1.126 -6.425 1.00 0.00 C ATOM 730 C ARG B 47 -16.107 1.389 -5.655 1.00 0.00 C ATOM 731 O ARG B 47 -15.715 0.619 -4.780 1.00 0.00 O ATOM 732 CB ARG B 47 -17.144 0.178 -7.607 1.00 0.00 C ATOM 733 CG ARG B 47 -18.247 0.181 -8.666 1.00 0.00 C ATOM 734 CD ARG B 47 -19.595 -0.222 -8.092 1.00 0.00 C ATOM 735 NE ARG B 47 -20.690 0.016 -9.029 1.00 0.00 N ATOM 736 CZ ARG B 47 -21.608 -0.893 -9.361 1.00 0.00 C ATOM 737 NH1 ARG B 47 -21.519 -2.139 -8.914 1.00 0.00 N ATOM 738 NH2 ARG B 47 -22.612 -0.554 -10.157 1.00 0.00 N ATOM 0 H ARG B 47 -17.841 2.550 -7.895 1.00 0.00 H new ATOM 0 HA ARG B 47 -18.125 0.646 -5.767 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -16.201 0.453 -8.080 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -17.025 -0.836 -7.225 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -18.324 1.176 -9.105 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -17.978 -0.503 -9.471 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -19.572 -1.278 -7.824 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -19.778 0.336 -7.174 1.00 0.00 H new ATOM 0 HE ARG B 47 -20.757 0.939 -9.458 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -20.743 -2.410 -8.310 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -22.227 -2.826 -9.174 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -22.681 0.399 -10.514 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -23.316 -1.246 -10.413 1.00 0.00 H new ATOM 752 N LYS B 48 -15.485 2.521 -5.972 1.00 0.00 N ATOM 753 CA LYS B 48 -14.220 2.926 -5.371 1.00 0.00 C ATOM 754 C LYS B 48 -14.390 3.280 -3.893 1.00 0.00 C ATOM 755 O LYS B 48 -13.529 2.968 -3.066 1.00 0.00 O ATOM 756 CB LYS B 48 -13.664 4.136 -6.132 1.00 0.00 C ATOM 757 CG LYS B 48 -12.367 4.690 -5.559 1.00 0.00 C ATOM 758 CD LYS B 48 -11.928 5.969 -6.265 1.00 0.00 C ATOM 759 CE LYS B 48 -12.906 7.110 -6.017 1.00 0.00 C ATOM 760 NZ LYS B 48 -12.434 8.392 -6.605 1.00 0.00 N ATOM 0 H LYS B 48 -15.847 3.185 -6.656 1.00 0.00 H new ATOM 0 HA LYS B 48 -13.525 2.089 -5.436 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -13.497 3.852 -7.171 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -14.415 4.926 -6.134 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -12.497 4.890 -4.495 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -11.582 3.939 -5.648 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -10.936 6.256 -5.915 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -11.847 5.785 -7.336 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -13.877 6.853 -6.441 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -13.050 7.236 -4.944 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -13.130 9.140 -6.412 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -11.520 8.652 -6.182 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -12.321 8.282 -7.633 1.00 0.00 H new ATOM 774 N GLN B 49 -15.506 3.926 -3.569 1.00 0.00 N ATOM 775 CA GLN B 49 -15.737 4.442 -2.224 1.00 0.00 C ATOM 776 C GLN B 49 -15.781 3.327 -1.189 1.00 0.00 C ATOM 777 O GLN B 49 -15.154 3.432 -0.132 1.00 0.00 O ATOM 778 CB GLN B 49 -17.032 5.252 -2.178 1.00 0.00 C ATOM 779 CG GLN B 49 -17.021 6.457 -3.100 1.00 0.00 C ATOM 780 CD GLN B 49 -15.894 7.423 -2.789 1.00 0.00 C ATOM 781 OE1 GLN B 49 -14.783 7.290 -3.303 1.00 0.00 O ATOM 782 NE2 GLN B 49 -16.180 8.415 -1.965 1.00 0.00 N ATOM 0 H GLN B 49 -16.268 4.105 -4.223 1.00 0.00 H new ATOM 0 HA GLN B 49 -14.898 5.092 -1.977 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -17.867 4.605 -2.448 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -17.206 5.587 -1.156 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -16.929 6.119 -4.132 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -17.974 6.979 -3.019 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -17.113 8.489 -1.560 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -15.467 9.107 -1.733 1.00 0.00 H new ATOM 791 N ILE B 50 -16.516 2.262 -1.488 1.00 0.00 N ATOM 792 CA ILE B 50 -16.619 1.137 -0.569 1.00 0.00 C ATOM 793 C ILE B 50 -15.255 0.478 -0.369 1.00 0.00 C ATOM 794 O ILE B 50 -14.832 0.256 0.770 1.00 0.00 O ATOM 795 CB ILE B 50 -17.657 0.084 -1.036 1.00 0.00 C ATOM 796 CG1 ILE B 50 -19.089 0.560 -0.751 1.00 0.00 C ATOM 797 CG2 ILE B 50 -17.413 -1.257 -0.360 1.00 0.00 C ATOM 798 CD1 ILE B 50 -19.662 1.491 -1.797 1.00 0.00 C ATOM 0 H ILE B 50 -17.045 2.155 -2.353 1.00 0.00 H new ATOM 0 HA ILE B 50 -16.968 1.538 0.382 1.00 0.00 H new ATOM 0 HB ILE B 50 -17.538 -0.040 -2.112 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -19.737 -0.312 -0.665 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -19.105 1.066 0.215 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -18.154 -1.978 -0.704 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -16.414 -1.615 -0.611 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -17.495 -1.140 0.721 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -20.675 1.776 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -19.041 2.384 -1.869 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -19.683 0.985 -2.762 1.00 0.00 H new ATOM 810 N ILE B 51 -14.563 0.199 -1.476 1.00 0.00 N ATOM 811 CA ILE B 51 -13.230 -0.400 -1.416 1.00 0.00 C ATOM 812 C ILE B 51 -12.327 0.402 -0.483 1.00 0.00 C ATOM 813 O ILE B 51 -11.644 -0.147 0.385 1.00 0.00 O ATOM 814 CB ILE B 51 -12.547 -0.433 -2.801 1.00 0.00 C ATOM 815 CG1 ILE B 51 -13.397 -1.193 -3.812 1.00 0.00 C ATOM 816 CG2 ILE B 51 -11.160 -1.055 -2.698 1.00 0.00 C ATOM 817 CD1 ILE B 51 -12.829 -1.168 -5.212 1.00 0.00 C ATOM 0 H ILE B 51 -14.903 0.378 -2.421 1.00 0.00 H new ATOM 0 HA ILE B 51 -13.367 -1.418 -1.052 1.00 0.00 H new ATOM 0 HB ILE B 51 -12.443 0.594 -3.150 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -13.497 -2.229 -3.487 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -14.400 -0.766 -3.827 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -10.694 -1.070 -3.683 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -10.547 -0.466 -2.015 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -11.245 -2.074 -2.322 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -13.484 -1.728 -5.880 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -12.755 -0.136 -5.556 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -11.838 -1.622 -5.211 1.00 0.00 H new ATOM 829 N HIS B 52 -12.359 1.713 -0.667 1.00 0.00 N ATOM 830 CA HIS B 52 -11.448 2.614 0.017 1.00 0.00 C ATOM 831 C HIS B 52 -11.660 2.644 1.528 1.00 0.00 C ATOM 832 O HIS B 52 -10.697 2.509 2.274 1.00 0.00 O ATOM 833 CB HIS B 52 -11.550 4.021 -0.574 1.00 0.00 C ATOM 834 CG HIS B 52 -10.545 4.277 -1.658 1.00 0.00 C ATOM 835 ND1 HIS B 52 -9.736 5.391 -1.684 1.00 0.00 N ATOM 836 CD2 HIS B 52 -10.206 3.545 -2.750 1.00 0.00 C ATOM 837 CE1 HIS B 52 -8.944 5.335 -2.737 1.00 0.00 C ATOM 838 NE2 HIS B 52 -9.207 4.226 -3.403 1.00 0.00 N ATOM 0 H HIS B 52 -13.015 2.180 -1.293 1.00 0.00 H new ATOM 0 HA HIS B 52 -10.441 2.228 -0.143 1.00 0.00 H new ATOM 0 HB2 HIS B 52 -12.553 4.169 -0.974 1.00 0.00 H new ATOM 0 HB3 HIS B 52 -11.413 4.754 0.221 1.00 0.00 H new ATOM 0 HD2 HIS B 52 -10.641 2.603 -3.050 1.00 0.00 H new ATOM 0 HE1 HIS B 52 -8.204 6.073 -3.009 1.00 0.00 H new ATOM 0 HE2 HIS B 52 -8.745 3.924 -4.261 1.00 0.00 H new ATOM 847 N HIS B 53 -12.897 2.812 1.991 1.00 0.00 N ATOM 848 CA HIS B 53 -13.147 2.906 3.438 1.00 0.00 C ATOM 849 C HIS B 53 -12.732 1.633 4.163 1.00 0.00 C ATOM 850 O HIS B 53 -12.364 1.669 5.333 1.00 0.00 O ATOM 851 CB HIS B 53 -14.618 3.181 3.742 1.00 0.00 C ATOM 852 CG HIS B 53 -15.112 4.499 3.257 1.00 0.00 C ATOM 853 ND1 HIS B 53 -14.477 5.691 3.524 1.00 0.00 N ATOM 854 CD2 HIS B 53 -16.187 4.804 2.500 1.00 0.00 C ATOM 855 CE1 HIS B 53 -15.137 6.675 2.950 1.00 0.00 C ATOM 856 NE2 HIS B 53 -16.178 6.166 2.318 1.00 0.00 N ATOM 0 H HIS B 53 -13.729 2.885 1.405 1.00 0.00 H new ATOM 0 HA HIS B 53 -12.543 3.740 3.795 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -15.222 2.393 3.293 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -14.770 3.124 4.820 1.00 0.00 H new ATOM 0 HD1 HIS B 53 -13.628 5.795 4.080 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -16.916 4.109 2.111 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -14.872 7.721 2.990 1.00 0.00 H new ATOM 865 N LEU B 54 -12.777 0.518 3.458 1.00 0.00 N ATOM 866 CA LEU B 54 -12.520 -0.778 4.068 1.00 0.00 C ATOM 867 C LEU B 54 -11.025 -1.049 4.181 1.00 0.00 C ATOM 868 O LEU B 54 -10.544 -1.478 5.231 1.00 0.00 O ATOM 869 CB LEU B 54 -13.221 -1.882 3.273 1.00 0.00 C ATOM 870 CG LEU B 54 -14.742 -1.944 3.458 1.00 0.00 C ATOM 871 CD1 LEU B 54 -15.365 -2.892 2.450 1.00 0.00 C ATOM 872 CD2 LEU B 54 -15.095 -2.377 4.875 1.00 0.00 C ATOM 0 H LEU B 54 -12.989 0.481 2.461 1.00 0.00 H new ATOM 0 HA LEU B 54 -12.926 -0.768 5.080 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -13.004 -1.741 2.214 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -12.795 -2.843 3.561 1.00 0.00 H new ATOM 0 HG LEU B 54 -15.144 -0.945 3.291 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -16.445 -2.922 2.598 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -15.146 -2.544 1.440 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -14.952 -3.891 2.587 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -16.179 -2.414 4.985 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -14.676 -3.365 5.069 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -14.683 -1.662 5.587 1.00 0.00 H new ATOM 884 N VAL B 55 -10.283 -0.781 3.116 1.00 0.00 N ATOM 885 CA VAL B 55 -8.839 -0.979 3.146 1.00 0.00 C ATOM 886 C VAL B 55 -8.178 0.087 4.008 1.00 0.00 C ATOM 887 O VAL B 55 -7.109 -0.128 4.580 1.00 0.00 O ATOM 888 CB VAL B 55 -8.225 -0.983 1.729 1.00 0.00 C ATOM 889 CG1 VAL B 55 -8.972 -1.956 0.838 1.00 0.00 C ATOM 890 CG2 VAL B 55 -8.216 0.404 1.112 1.00 0.00 C ATOM 0 H VAL B 55 -10.650 -0.430 2.231 1.00 0.00 H new ATOM 0 HA VAL B 55 -8.652 -1.960 3.583 1.00 0.00 H new ATOM 0 HB VAL B 55 -7.188 -1.305 1.819 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -8.530 -1.950 -0.158 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -8.905 -2.959 1.259 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -10.019 -1.659 0.772 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -7.776 0.356 0.116 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -9.238 0.777 1.040 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -7.628 1.076 1.737 1.00 0.00 H new ATOM 900 N GLN B 56 -8.842 1.227 4.120 1.00 0.00 N ATOM 901 CA GLN B 56 -8.368 2.316 4.954 1.00 0.00 C ATOM 902 C GLN B 56 -8.719 2.080 6.416 1.00 0.00 C ATOM 903 O GLN B 56 -8.126 2.685 7.311 1.00 0.00 O ATOM 904 CB GLN B 56 -8.961 3.640 4.477 1.00 0.00 C ATOM 905 CG GLN B 56 -8.222 4.244 3.294 1.00 0.00 C ATOM 906 CD GLN B 56 -8.808 5.571 2.860 1.00 0.00 C ATOM 907 OE1 GLN B 56 -9.780 5.515 1.962 1.00 0.00 O flip ATOM 908 NE2 GLN B 56 -8.394 6.634 3.326 1.00 0.00 N flip ATOM 0 H GLN B 56 -9.720 1.421 3.638 1.00 0.00 H new ATOM 0 HA GLN B 56 -7.282 2.360 4.869 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -10.004 3.484 4.202 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -8.952 4.352 5.303 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -7.173 4.382 3.557 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -8.251 3.546 2.457 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -7.643 6.630 4.016 1.00 0.00 H new ATOM 0 HE22 GLN B 56 -8.802 7.518 3.022 1.00 0.00 H new ATOM 917 N MET B 57 -9.678 1.194 6.660 1.00 0.00 N ATOM 918 CA MET B 57 -10.091 0.897 8.024 1.00 0.00 C ATOM 919 C MET B 57 -9.152 -0.128 8.648 1.00 0.00 C ATOM 920 O MET B 57 -9.227 -0.413 9.842 1.00 0.00 O ATOM 921 CB MET B 57 -11.537 0.391 8.060 1.00 0.00 C ATOM 922 CG MET B 57 -12.202 0.535 9.422 1.00 0.00 C ATOM 923 SD MET B 57 -13.899 -0.084 9.452 1.00 0.00 S ATOM 924 CE MET B 57 -14.622 0.806 8.074 1.00 0.00 C ATOM 0 H MET B 57 -10.179 0.674 5.939 1.00 0.00 H new ATOM 0 HA MET B 57 -10.041 1.818 8.605 1.00 0.00 H new ATOM 0 HB2 MET B 57 -12.122 0.937 7.320 1.00 0.00 H new ATOM 0 HB3 MET B 57 -11.553 -0.659 7.767 1.00 0.00 H new ATOM 0 HG2 MET B 57 -11.613 -0.002 10.166 1.00 0.00 H new ATOM 0 HG3 MET B 57 -12.200 1.586 9.711 1.00 0.00 H new ATOM 0 HE1 MET B 57 -15.675 1.000 8.279 1.00 0.00 H new ATOM 0 HE2 MET B 57 -14.098 1.752 7.937 1.00 0.00 H new ATOM 0 HE3 MET B 57 -14.533 0.207 7.167 1.00 0.00 H new ATOM 934 N GLY B 58 -8.265 -0.681 7.830 1.00 0.00 N ATOM 935 CA GLY B 58 -7.285 -1.629 8.325 1.00 0.00 C ATOM 936 C GLY B 58 -7.815 -3.046 8.366 1.00 0.00 C ATOM 937 O GLY B 58 -7.096 -3.974 8.735 1.00 0.00 O ATOM 0 H GLY B 58 -8.207 -0.489 6.830 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -6.399 -1.595 7.691 1.00 0.00 H new ATOM 0 HA3 GLY B 58 -6.972 -1.333 9.326 1.00 0.00 H new ATOM 941 N LEU B 59 -9.074 -3.218 7.988 1.00 0.00 N ATOM 942 CA LEU B 59 -9.690 -4.536 7.998 1.00 0.00 C ATOM 943 C LEU B 59 -9.402 -5.272 6.696 1.00 0.00 C ATOM 944 O LEU B 59 -9.442 -6.501 6.637 1.00 0.00 O ATOM 945 CB LEU B 59 -11.198 -4.428 8.264 1.00 0.00 C ATOM 946 CG LEU B 59 -11.972 -3.464 7.363 1.00 0.00 C ATOM 947 CD1 LEU B 59 -12.295 -4.103 6.026 1.00 0.00 C ATOM 948 CD2 LEU B 59 -13.241 -3.010 8.050 1.00 0.00 C ATOM 0 H LEU B 59 -9.686 -2.465 7.672 1.00 0.00 H new ATOM 0 HA LEU B 59 -9.254 -5.118 8.810 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -11.637 -5.421 8.162 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -11.343 -4.121 9.300 1.00 0.00 H new ATOM 0 HG LEU B 59 -11.341 -2.595 7.176 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -12.845 -3.394 5.407 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -11.369 -4.382 5.523 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -12.903 -4.993 6.186 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -13.782 -2.324 7.398 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -13.867 -3.876 8.267 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -12.989 -2.502 8.981 1.00 0.00 H new ATOM 960 N ALA B 60 -9.105 -4.512 5.655 1.00 0.00 N ATOM 961 CA ALA B 60 -8.723 -5.096 4.380 1.00 0.00 C ATOM 962 C ALA B 60 -7.268 -4.787 4.080 1.00 0.00 C ATOM 963 O ALA B 60 -6.681 -3.893 4.688 1.00 0.00 O ATOM 964 CB ALA B 60 -9.608 -4.588 3.256 1.00 0.00 C ATOM 0 H ALA B 60 -9.121 -3.492 5.667 1.00 0.00 H new ATOM 0 HA ALA B 60 -8.853 -6.176 4.450 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -9.298 -5.043 2.315 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -10.645 -4.852 3.462 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -9.517 -3.504 3.183 1.00 0.00 H new ATOM 970 N ASP B 61 -6.695 -5.530 3.145 1.00 0.00 N ATOM 971 CA ASP B 61 -5.305 -5.330 2.756 1.00 0.00 C ATOM 972 C ASP B 61 -5.150 -4.042 1.963 1.00 0.00 C ATOM 973 O ASP B 61 -4.527 -3.084 2.420 1.00 0.00 O ATOM 974 CB ASP B 61 -4.815 -6.503 1.906 1.00 0.00 C ATOM 975 CG ASP B 61 -3.370 -6.344 1.462 1.00 0.00 C ATOM 976 OD1 ASP B 61 -2.459 -6.631 2.269 1.00 0.00 O ATOM 977 OD2 ASP B 61 -3.140 -5.934 0.303 1.00 0.00 O ATOM 0 H ASP B 61 -7.171 -6.278 2.640 1.00 0.00 H new ATOM 0 HA ASP B 61 -4.708 -5.266 3.666 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -4.916 -7.426 2.476 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -5.452 -6.600 1.027 1.00 0.00 H new ATOM 982 N SER B 62 -5.742 -4.025 0.778 1.00 0.00 N ATOM 983 CA SER B 62 -5.602 -2.903 -0.123 1.00 0.00 C ATOM 984 C SER B 62 -6.659 -2.952 -1.214 1.00 0.00 C ATOM 985 O SER B 62 -7.458 -3.890 -1.274 1.00 0.00 O ATOM 986 CB SER B 62 -4.219 -2.906 -0.746 1.00 0.00 C ATOM 987 OG SER B 62 -3.980 -4.117 -1.439 1.00 0.00 O ATOM 0 H SER B 62 -6.326 -4.782 0.422 1.00 0.00 H new ATOM 0 HA SER B 62 -5.737 -1.985 0.449 1.00 0.00 H new ATOM 0 HB2 SER B 62 -4.123 -2.065 -1.432 1.00 0.00 H new ATOM 0 HB3 SER B 62 -3.466 -2.772 0.030 1.00 0.00 H new ATOM 0 HG SER B 62 -3.464 -4.724 -0.868 1.00 0.00 H new ATOM 993 N VAL B 63 -6.649 -1.941 -2.075 1.00 0.00 N ATOM 994 CA VAL B 63 -7.621 -1.818 -3.152 1.00 0.00 C ATOM 995 C VAL B 63 -7.600 -3.050 -4.043 1.00 0.00 C ATOM 996 O VAL B 63 -8.646 -3.530 -4.474 1.00 0.00 O ATOM 997 CB VAL B 63 -7.348 -0.542 -3.989 1.00 0.00 C ATOM 998 CG1 VAL B 63 -7.845 -0.677 -5.426 1.00 0.00 C ATOM 999 CG2 VAL B 63 -7.999 0.658 -3.322 1.00 0.00 C ATOM 0 H VAL B 63 -5.966 -1.184 -2.045 1.00 0.00 H new ATOM 0 HA VAL B 63 -8.612 -1.735 -2.706 1.00 0.00 H new ATOM 0 HB VAL B 63 -6.268 -0.401 -4.033 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -7.631 0.241 -5.973 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -7.339 -1.513 -5.909 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -8.920 -0.856 -5.424 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -7.805 1.553 -3.913 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -9.075 0.496 -3.252 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -7.585 0.787 -2.322 1.00 0.00 H new ATOM 1009 N LYS B 64 -6.406 -3.591 -4.250 1.00 0.00 N ATOM 1010 CA LYS B 64 -6.208 -4.703 -5.166 1.00 0.00 C ATOM 1011 C LYS B 64 -6.927 -5.971 -4.699 1.00 0.00 C ATOM 1012 O LYS B 64 -7.138 -6.893 -5.487 1.00 0.00 O ATOM 1013 CB LYS B 64 -4.720 -4.997 -5.336 1.00 0.00 C ATOM 1014 CG LYS B 64 -3.934 -3.943 -6.118 1.00 0.00 C ATOM 1015 CD LYS B 64 -3.455 -2.777 -5.255 1.00 0.00 C ATOM 1016 CE LYS B 64 -2.596 -3.238 -4.080 1.00 0.00 C ATOM 1017 NZ LYS B 64 -1.465 -4.110 -4.502 1.00 0.00 N ATOM 0 H LYS B 64 -5.553 -3.272 -3.790 1.00 0.00 H new ATOM 0 HA LYS B 64 -6.637 -4.405 -6.123 1.00 0.00 H new ATOM 0 HB2 LYS B 64 -4.272 -5.103 -4.348 1.00 0.00 H new ATOM 0 HB3 LYS B 64 -4.611 -5.957 -5.840 1.00 0.00 H new ATOM 0 HG2 LYS B 64 -3.071 -4.417 -6.586 1.00 0.00 H new ATOM 0 HG3 LYS B 64 -4.560 -3.557 -6.922 1.00 0.00 H new ATOM 0 HD2 LYS B 64 -2.882 -2.084 -5.871 1.00 0.00 H new ATOM 0 HD3 LYS B 64 -4.318 -2.229 -4.878 1.00 0.00 H new ATOM 0 HE2 LYS B 64 -2.202 -2.365 -3.559 1.00 0.00 H new ATOM 0 HE3 LYS B 64 -3.220 -3.779 -3.369 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 -0.857 -4.311 -3.682 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 -1.838 -5.003 -4.883 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 -0.909 -3.626 -5.236 1.00 0.00 H new ATOM 1031 N ASP B 65 -7.299 -6.015 -3.426 1.00 0.00 N ATOM 1032 CA ASP B 65 -8.004 -7.170 -2.878 1.00 0.00 C ATOM 1033 C ASP B 65 -9.450 -7.186 -3.369 1.00 0.00 C ATOM 1034 O ASP B 65 -10.038 -8.248 -3.584 1.00 0.00 O ATOM 1035 CB ASP B 65 -7.950 -7.150 -1.347 1.00 0.00 C ATOM 1036 CG ASP B 65 -8.605 -8.367 -0.718 1.00 0.00 C ATOM 1037 OD1 ASP B 65 -8.173 -9.500 -1.015 1.00 0.00 O ATOM 1038 OD2 ASP B 65 -9.531 -8.193 0.105 1.00 0.00 O ATOM 0 H ASP B 65 -7.126 -5.267 -2.754 1.00 0.00 H new ATOM 0 HA ASP B 65 -7.513 -8.079 -3.224 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -6.910 -7.096 -1.026 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -8.443 -6.249 -0.983 1.00 0.00 H new ATOM 1043 N PHE B 66 -10.006 -5.997 -3.571 1.00 0.00 N ATOM 1044 CA PHE B 66 -11.356 -5.854 -4.106 1.00 0.00 C ATOM 1045 C PHE B 66 -11.284 -5.771 -5.617 1.00 0.00 C ATOM 1046 O PHE B 66 -11.989 -6.476 -6.339 1.00 0.00 O ATOM 1047 CB PHE B 66 -12.016 -4.566 -3.594 1.00 0.00 C ATOM 1048 CG PHE B 66 -12.144 -4.455 -2.103 1.00 0.00 C ATOM 1049 CD1 PHE B 66 -11.028 -4.511 -1.292 1.00 0.00 C ATOM 1050 CD2 PHE B 66 -13.385 -4.267 -1.515 1.00 0.00 C ATOM 1051 CE1 PHE B 66 -11.140 -4.389 0.072 1.00 0.00 C ATOM 1052 CE2 PHE B 66 -13.503 -4.147 -0.150 1.00 0.00 C ATOM 1053 CZ PHE B 66 -12.378 -4.207 0.646 1.00 0.00 C ATOM 0 H PHE B 66 -9.539 -5.112 -3.371 1.00 0.00 H new ATOM 0 HA PHE B 66 -11.943 -6.714 -3.785 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -11.440 -3.714 -3.956 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -13.010 -4.488 -4.033 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -10.054 -4.653 -1.736 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -14.268 -4.214 -2.135 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -10.258 -4.436 0.693 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -14.475 -4.006 0.298 1.00 0.00 H new ATOM 0 HZ PHE B 66 -12.468 -4.111 1.718 1.00 0.00 H new ATOM 1184 N VAL B 74 5.871 3.521 -9.135 1.00 0.00 N ATOM 1185 CA VAL B 74 7.147 4.017 -9.574 1.00 0.00 C ATOM 1186 C VAL B 74 8.151 2.876 -9.445 1.00 0.00 C ATOM 1187 O VAL B 74 8.309 2.336 -8.354 1.00 0.00 O ATOM 1188 CB VAL B 74 7.569 5.228 -8.710 1.00 0.00 C ATOM 1189 CG1 VAL B 74 6.904 5.159 -7.335 1.00 0.00 C ATOM 1190 CG2 VAL B 74 9.083 5.304 -8.569 1.00 0.00 C ATOM 0 HA VAL B 74 7.099 4.355 -10.609 1.00 0.00 H new ATOM 0 HB VAL B 74 7.235 6.135 -9.215 1.00 0.00 H new ATOM 0 HG11 VAL B 74 7.211 6.018 -6.739 1.00 0.00 H new ATOM 0 HG12 VAL B 74 5.821 5.168 -7.454 1.00 0.00 H new ATOM 0 HG13 VAL B 74 7.206 4.241 -6.831 1.00 0.00 H new ATOM 0 HG21 VAL B 74 9.349 6.166 -7.956 1.00 0.00 H new ATOM 0 HG22 VAL B 74 9.450 4.394 -8.094 1.00 0.00 H new ATOM 0 HG23 VAL B 74 9.536 5.407 -9.555 1.00 0.00 H new ATOM 1200 N LEU B 75 8.803 2.517 -10.551 1.00 0.00 N ATOM 1201 CA LEU B 75 9.562 1.269 -10.640 1.00 0.00 C ATOM 1202 C LEU B 75 10.487 1.083 -9.447 1.00 0.00 C ATOM 1203 O LEU B 75 11.129 2.027 -8.989 1.00 0.00 O ATOM 1204 CB LEU B 75 10.360 1.217 -11.949 1.00 0.00 C ATOM 1205 CG LEU B 75 11.459 2.274 -12.104 1.00 0.00 C ATOM 1206 CD1 LEU B 75 12.803 1.749 -11.613 1.00 0.00 C ATOM 1207 CD2 LEU B 75 11.558 2.724 -13.551 1.00 0.00 C ATOM 0 H LEU B 75 8.821 3.077 -11.403 1.00 0.00 H new ATOM 0 HA LEU B 75 8.844 0.449 -10.630 1.00 0.00 H new ATOM 0 HB2 LEU B 75 10.816 0.231 -12.035 1.00 0.00 H new ATOM 0 HB3 LEU B 75 9.664 1.320 -12.781 1.00 0.00 H new ATOM 0 HG LEU B 75 11.191 3.132 -11.488 1.00 0.00 H new ATOM 0 HD11 LEU B 75 13.562 2.521 -11.736 1.00 0.00 H new ATOM 0 HD12 LEU B 75 12.726 1.480 -10.559 1.00 0.00 H new ATOM 0 HD13 LEU B 75 13.083 0.869 -12.192 1.00 0.00 H new ATOM 0 HD21 LEU B 75 12.343 3.475 -13.646 1.00 0.00 H new ATOM 0 HD22 LEU B 75 11.796 1.868 -14.183 1.00 0.00 H new ATOM 0 HD23 LEU B 75 10.606 3.153 -13.865 1.00 0.00 H new ATOM 1219 N TRP B 76 10.520 -0.138 -8.943 1.00 0.00 N ATOM 1220 CA TRP B 76 11.319 -0.472 -7.781 1.00 0.00 C ATOM 1221 C TRP B 76 12.250 -1.635 -8.076 1.00 0.00 C ATOM 1222 O TRP B 76 11.895 -2.564 -8.805 1.00 0.00 O ATOM 1223 CB TRP B 76 10.418 -0.843 -6.603 1.00 0.00 C ATOM 1224 CG TRP B 76 9.942 0.320 -5.800 1.00 0.00 C ATOM 1225 CD1 TRP B 76 8.739 0.942 -5.895 1.00 0.00 C ATOM 1226 CD2 TRP B 76 10.665 0.988 -4.772 1.00 0.00 C ATOM 1227 NE1 TRP B 76 8.659 1.961 -4.983 1.00 0.00 N ATOM 1228 CE2 TRP B 76 9.837 2.005 -4.275 1.00 0.00 C ATOM 1229 CE3 TRP B 76 11.935 0.820 -4.221 1.00 0.00 C ATOM 1230 CZ2 TRP B 76 10.244 2.852 -3.250 1.00 0.00 C ATOM 1231 CZ3 TRP B 76 12.334 1.666 -3.207 1.00 0.00 C ATOM 1232 CH2 TRP B 76 11.491 2.666 -2.732 1.00 0.00 C ATOM 0 H TRP B 76 9.994 -0.923 -9.328 1.00 0.00 H new ATOM 0 HA TRP B 76 11.914 0.405 -7.527 1.00 0.00 H new ATOM 0 HB2 TRP B 76 9.552 -1.387 -6.981 1.00 0.00 H new ATOM 0 HB3 TRP B 76 10.960 -1.524 -5.947 1.00 0.00 H new ATOM 0 HD1 TRP B 76 7.957 0.672 -6.590 1.00 0.00 H new ATOM 0 HE1 TRP B 76 7.861 2.582 -4.851 1.00 0.00 H new ATOM 0 HE3 TRP B 76 12.593 0.043 -4.581 1.00 0.00 H new ATOM 0 HZ2 TRP B 76 9.595 3.630 -2.877 1.00 0.00 H new ATOM 0 HZ3 TRP B 76 13.317 1.550 -2.775 1.00 0.00 H new ATOM 0 HH2 TRP B 76 11.833 3.309 -1.935 1.00 0.00 H new ATOM 1243 N THR B 77 13.442 -1.571 -7.518 1.00 0.00 N ATOM 1244 CA THR B 77 14.381 -2.673 -7.573 1.00 0.00 C ATOM 1245 C THR B 77 14.806 -3.015 -6.152 1.00 0.00 C ATOM 1246 O THR B 77 14.631 -2.195 -5.250 1.00 0.00 O ATOM 1247 CB THR B 77 15.625 -2.307 -8.409 1.00 0.00 C ATOM 1248 OG1 THR B 77 16.304 -1.201 -7.804 1.00 0.00 O ATOM 1249 CG2 THR B 77 15.240 -1.947 -9.839 1.00 0.00 C ATOM 0 H THR B 77 13.787 -0.754 -7.014 1.00 0.00 H new ATOM 0 HA THR B 77 13.898 -3.527 -8.048 1.00 0.00 H new ATOM 0 HB THR B 77 16.283 -3.175 -8.438 1.00 0.00 H new ATOM 0 HG1 THR B 77 17.094 -0.972 -8.336 1.00 0.00 H new ATOM 0 HG21 THR B 77 16.137 -1.694 -10.404 1.00 0.00 H new ATOM 0 HG22 THR B 77 14.744 -2.797 -10.307 1.00 0.00 H new ATOM 0 HG23 THR B 77 14.564 -1.092 -9.829 1.00 0.00 H new ATOM 1257 N GLY B 78 15.356 -4.204 -5.944 1.00 0.00 N ATOM 1258 CA GLY B 78 15.828 -4.578 -4.620 1.00 0.00 C ATOM 1259 C GLY B 78 16.888 -3.623 -4.111 1.00 0.00 C ATOM 1260 O GLY B 78 16.960 -3.335 -2.912 1.00 0.00 O ATOM 0 H GLY B 78 15.485 -4.915 -6.664 1.00 0.00 H new ATOM 0 HA2 GLY B 78 14.988 -4.593 -3.925 1.00 0.00 H new ATOM 0 HA3 GLY B 78 16.234 -5.589 -4.651 1.00 0.00 H new ATOM 1264 N ASP B 79 17.695 -3.114 -5.034 1.00 0.00 N ATOM 1265 CA ASP B 79 18.727 -2.143 -4.701 1.00 0.00 C ATOM 1266 C ASP B 79 18.101 -0.790 -4.388 1.00 0.00 C ATOM 1267 O ASP B 79 18.634 -0.017 -3.595 1.00 0.00 O ATOM 1268 CB ASP B 79 19.731 -2.001 -5.849 1.00 0.00 C ATOM 1269 CG ASP B 79 20.522 -3.269 -6.101 1.00 0.00 C ATOM 1270 OD1 ASP B 79 20.092 -4.091 -6.937 1.00 0.00 O ATOM 1271 OD2 ASP B 79 21.583 -3.456 -5.465 1.00 0.00 O ATOM 0 H ASP B 79 17.653 -3.360 -6.023 1.00 0.00 H new ATOM 0 HA ASP B 79 19.257 -2.501 -3.819 1.00 0.00 H new ATOM 0 HB2 ASP B 79 19.198 -1.724 -6.759 1.00 0.00 H new ATOM 0 HB3 ASP B 79 20.420 -1.187 -5.623 1.00 0.00 H new ATOM 1276 N GLN B 80 16.962 -0.506 -5.008 1.00 0.00 N ATOM 1277 CA GLN B 80 16.254 0.743 -4.760 1.00 0.00 C ATOM 1278 C GLN B 80 15.539 0.675 -3.416 1.00 0.00 C ATOM 1279 O GLN B 80 15.437 1.677 -2.705 1.00 0.00 O ATOM 1280 CB GLN B 80 15.239 1.030 -5.870 1.00 0.00 C ATOM 1281 CG GLN B 80 14.755 2.471 -5.885 1.00 0.00 C ATOM 1282 CD GLN B 80 13.843 2.761 -7.054 1.00 0.00 C ATOM 1283 OE1 GLN B 80 14.291 3.161 -8.125 1.00 0.00 O ATOM 1284 NE2 GLN B 80 12.553 2.567 -6.851 1.00 0.00 N ATOM 0 H GLN B 80 16.510 -1.122 -5.684 1.00 0.00 H new ATOM 0 HA GLN B 80 16.985 1.551 -4.745 1.00 0.00 H new ATOM 0 HB2 GLN B 80 15.690 0.795 -6.834 1.00 0.00 H new ATOM 0 HB3 GLN B 80 14.382 0.367 -5.749 1.00 0.00 H new ATOM 0 HG2 GLN B 80 14.228 2.684 -4.955 1.00 0.00 H new ATOM 0 HG3 GLN B 80 15.615 3.140 -5.924 1.00 0.00 H new ATOM 0 HE21 GLN B 80 12.224 2.233 -5.945 1.00 0.00 H new ATOM 0 HE22 GLN B 80 11.886 2.751 -7.600 1.00 0.00 H new ATOM 1293 N GLU B 81 15.049 -0.516 -3.074 1.00 0.00 N ATOM 1294 CA GLU B 81 14.349 -0.724 -1.811 1.00 0.00 C ATOM 1295 C GLU B 81 15.253 -0.408 -0.637 1.00 0.00 C ATOM 1296 O GLU B 81 14.809 0.163 0.352 1.00 0.00 O ATOM 1297 CB GLU B 81 13.805 -2.149 -1.714 1.00 0.00 C ATOM 1298 CG GLU B 81 12.778 -2.461 -2.791 1.00 0.00 C ATOM 1299 CD GLU B 81 12.048 -3.763 -2.559 1.00 0.00 C ATOM 1300 OE1 GLU B 81 10.810 -3.728 -2.393 1.00 0.00 O ATOM 1301 OE2 GLU B 81 12.702 -4.823 -2.550 1.00 0.00 O ATOM 0 H GLU B 81 15.125 -1.351 -3.655 1.00 0.00 H new ATOM 0 HA GLU B 81 13.501 -0.040 -1.779 1.00 0.00 H new ATOM 0 HB2 GLU B 81 14.632 -2.855 -1.791 1.00 0.00 H new ATOM 0 HB3 GLU B 81 13.352 -2.294 -0.733 1.00 0.00 H new ATOM 0 HG2 GLU B 81 12.053 -1.649 -2.838 1.00 0.00 H new ATOM 0 HG3 GLU B 81 13.277 -2.499 -3.759 1.00 0.00 H new ATOM 1308 N LEU B 82 16.528 -0.745 -0.761 1.00 0.00 N ATOM 1309 CA LEU B 82 17.486 -0.424 0.283 1.00 0.00 C ATOM 1310 C LEU B 82 17.998 1.005 0.126 1.00 0.00 C ATOM 1311 O LEU B 82 18.423 1.626 1.097 1.00 0.00 O ATOM 1312 CB LEU B 82 18.637 -1.441 0.295 1.00 0.00 C ATOM 1313 CG LEU B 82 19.510 -1.507 -0.961 1.00 0.00 C ATOM 1314 CD1 LEU B 82 20.631 -0.475 -0.912 1.00 0.00 C ATOM 1315 CD2 LEU B 82 20.081 -2.903 -1.120 1.00 0.00 C ATOM 0 H LEU B 82 16.919 -1.235 -1.565 1.00 0.00 H new ATOM 0 HA LEU B 82 16.982 -0.487 1.247 1.00 0.00 H new ATOM 0 HB2 LEU B 82 19.281 -1.216 1.145 1.00 0.00 H new ATOM 0 HB3 LEU B 82 18.215 -2.431 0.468 1.00 0.00 H new ATOM 0 HG LEU B 82 18.885 -1.276 -1.824 1.00 0.00 H new ATOM 0 HD11 LEU B 82 21.232 -0.548 -1.818 1.00 0.00 H new ATOM 0 HD12 LEU B 82 20.202 0.525 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU B 82 21.261 -0.663 -0.042 1.00 0.00 H new ATOM 0 HD21 LEU B 82 20.701 -2.943 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU B 82 20.687 -3.150 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU B 82 19.266 -3.621 -1.211 1.00 0.00 H new ATOM 1327 N GLU B 83 17.930 1.532 -1.095 1.00 0.00 N ATOM 1328 CA GLU B 83 18.379 2.894 -1.364 1.00 0.00 C ATOM 1329 C GLU B 83 17.500 3.893 -0.626 1.00 0.00 C ATOM 1330 O GLU B 83 17.989 4.677 0.185 1.00 0.00 O ATOM 1331 CB GLU B 83 18.365 3.188 -2.867 1.00 0.00 C ATOM 1332 CG GLU B 83 18.918 4.558 -3.229 1.00 0.00 C ATOM 1333 CD GLU B 83 19.157 4.712 -4.717 1.00 0.00 C ATOM 1334 OE1 GLU B 83 19.701 3.770 -5.335 1.00 0.00 O ATOM 1335 OE2 GLU B 83 18.826 5.779 -5.271 1.00 0.00 O ATOM 0 H GLU B 83 17.569 1.037 -1.911 1.00 0.00 H new ATOM 0 HA GLU B 83 19.404 2.991 -1.006 1.00 0.00 H new ATOM 0 HB2 GLU B 83 18.946 2.424 -3.383 1.00 0.00 H new ATOM 0 HB3 GLU B 83 17.341 3.111 -3.233 1.00 0.00 H new ATOM 0 HG2 GLU B 83 18.222 5.327 -2.894 1.00 0.00 H new ATOM 0 HG3 GLU B 83 19.854 4.721 -2.695 1.00 0.00 H new ATOM 1342 N LEU B 84 16.199 3.840 -0.889 1.00 0.00 N ATOM 1343 CA LEU B 84 15.261 4.740 -0.230 1.00 0.00 C ATOM 1344 C LEU B 84 15.142 4.383 1.247 1.00 0.00 C ATOM 1345 O LEU B 84 14.823 5.230 2.073 1.00 0.00 O ATOM 1346 CB LEU B 84 13.885 4.703 -0.914 1.00 0.00 C ATOM 1347 CG LEU B 84 12.855 5.707 -0.373 1.00 0.00 C ATOM 1348 CD1 LEU B 84 13.444 7.102 -0.316 1.00 0.00 C ATOM 1349 CD2 LEU B 84 11.598 5.714 -1.231 1.00 0.00 C ATOM 0 H LEU B 84 15.773 3.189 -1.548 1.00 0.00 H new ATOM 0 HA LEU B 84 15.644 5.757 -0.313 1.00 0.00 H new ATOM 0 HB2 LEU B 84 14.022 4.887 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU B 84 13.475 3.698 -0.814 1.00 0.00 H new ATOM 0 HG LEU B 84 12.587 5.395 0.636 1.00 0.00 H new ATOM 0 HD11 LEU B 84 12.698 7.797 0.070 1.00 0.00 H new ATOM 0 HD12 LEU B 84 14.314 7.103 0.340 1.00 0.00 H new ATOM 0 HD13 LEU B 84 13.744 7.411 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU B 84 10.885 6.433 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU B 84 11.856 5.994 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU B 84 11.151 4.720 -1.230 1.00 0.00 H new ATOM 1361 N GLN B 85 15.419 3.125 1.565 1.00 0.00 N ATOM 1362 CA GLN B 85 15.424 2.647 2.944 1.00 0.00 C ATOM 1363 C GLN B 85 16.455 3.422 3.761 1.00 0.00 C ATOM 1364 O GLN B 85 16.131 4.015 4.791 1.00 0.00 O ATOM 1365 CB GLN B 85 15.733 1.143 2.945 1.00 0.00 C ATOM 1366 CG GLN B 85 15.529 0.419 4.270 1.00 0.00 C ATOM 1367 CD GLN B 85 16.715 0.538 5.206 1.00 0.00 C ATOM 1368 OE1 GLN B 85 16.756 1.411 6.069 1.00 0.00 O ATOM 1369 NE2 GLN B 85 17.700 -0.329 5.021 1.00 0.00 N ATOM 0 H GLN B 85 15.646 2.407 0.877 1.00 0.00 H new ATOM 0 HA GLN B 85 14.448 2.808 3.401 1.00 0.00 H new ATOM 0 HB2 GLN B 85 15.108 0.664 2.192 1.00 0.00 H new ATOM 0 HB3 GLN B 85 16.769 1.005 2.634 1.00 0.00 H new ATOM 0 HG2 GLN B 85 14.644 0.821 4.763 1.00 0.00 H new ATOM 0 HG3 GLN B 85 15.334 -0.635 4.074 1.00 0.00 H new ATOM 0 HE21 GLN B 85 17.625 -1.039 4.292 1.00 0.00 H new ATOM 0 HE22 GLN B 85 18.533 -0.287 5.608 1.00 0.00 H new ATOM 1378 N ARG B 86 17.692 3.437 3.281 1.00 0.00 N ATOM 1379 CA ARG B 86 18.767 4.118 3.985 1.00 0.00 C ATOM 1380 C ARG B 86 18.638 5.630 3.840 1.00 0.00 C ATOM 1381 O ARG B 86 18.884 6.372 4.792 1.00 0.00 O ATOM 1382 CB ARG B 86 20.125 3.656 3.465 1.00 0.00 C ATOM 1383 CG ARG B 86 20.310 2.147 3.494 1.00 0.00 C ATOM 1384 CD ARG B 86 21.770 1.772 3.329 1.00 0.00 C ATOM 1385 NE ARG B 86 22.567 2.248 4.457 1.00 0.00 N ATOM 1386 CZ ARG B 86 23.783 2.782 4.352 1.00 0.00 C ATOM 1387 NH1 ARG B 86 24.369 2.895 3.169 1.00 0.00 N ATOM 1388 NH2 ARG B 86 24.416 3.204 5.437 1.00 0.00 N ATOM 0 H ARG B 86 17.974 2.987 2.410 1.00 0.00 H new ATOM 0 HA ARG B 86 18.691 3.864 5.042 1.00 0.00 H new ATOM 0 HB2 ARG B 86 20.251 4.009 2.441 1.00 0.00 H new ATOM 0 HB3 ARG B 86 20.910 4.121 4.062 1.00 0.00 H new ATOM 0 HG2 ARG B 86 19.934 1.750 4.437 1.00 0.00 H new ATOM 0 HG3 ARG B 86 19.722 1.690 2.698 1.00 0.00 H new ATOM 0 HD2 ARG B 86 21.863 0.689 3.245 1.00 0.00 H new ATOM 0 HD3 ARG B 86 22.155 2.198 2.402 1.00 0.00 H new ATOM 0 HE ARG B 86 22.164 2.166 5.390 1.00 0.00 H new ATOM 0 HH11 ARG B 86 23.889 2.572 2.329 1.00 0.00 H new ATOM 0 HH12 ARG B 86 25.300 3.305 3.098 1.00 0.00 H new ATOM 0 HH21 ARG B 86 23.972 3.120 6.352 1.00 0.00 H new ATOM 0 HH22 ARG B 86 25.347 3.613 5.358 1.00 0.00 H new ATOM 1402 N LEU B 87 18.252 6.076 2.644 1.00 0.00 N ATOM 1403 CA LEU B 87 18.009 7.496 2.372 1.00 0.00 C ATOM 1404 C LEU B 87 17.011 8.051 3.389 1.00 0.00 C ATOM 1405 O LEU B 87 17.187 9.144 3.930 1.00 0.00 O ATOM 1406 CB LEU B 87 17.456 7.651 0.948 1.00 0.00 C ATOM 1407 CG LEU B 87 17.362 9.077 0.402 1.00 0.00 C ATOM 1408 CD1 LEU B 87 18.687 9.536 -0.183 1.00 0.00 C ATOM 1409 CD2 LEU B 87 16.281 9.152 -0.654 1.00 0.00 C ATOM 0 H LEU B 87 18.099 5.468 1.839 1.00 0.00 H new ATOM 0 HA LEU B 87 18.943 8.052 2.457 1.00 0.00 H new ATOM 0 HB2 LEU B 87 18.083 7.068 0.273 1.00 0.00 H new ATOM 0 HB3 LEU B 87 16.460 7.209 0.919 1.00 0.00 H new ATOM 0 HG LEU B 87 17.112 9.739 1.231 1.00 0.00 H new ATOM 0 HD11 LEU B 87 18.585 10.553 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU B 87 19.454 9.512 0.591 1.00 0.00 H new ATOM 0 HD13 LEU B 87 18.974 8.872 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU B 87 16.219 10.170 -1.039 1.00 0.00 H new ATOM 0 HD22 LEU B 87 16.521 8.470 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU B 87 15.324 8.871 -0.215 1.00 0.00 H new ATOM 1421 N PHE B 88 15.972 7.264 3.644 1.00 0.00 N ATOM 1422 CA PHE B 88 14.972 7.564 4.653 1.00 0.00 C ATOM 1423 C PHE B 88 15.606 7.777 6.029 1.00 0.00 C ATOM 1424 O PHE B 88 15.461 8.848 6.609 1.00 0.00 O ATOM 1425 CB PHE B 88 13.937 6.428 4.664 1.00 0.00 C ATOM 1426 CG PHE B 88 13.188 6.230 5.947 1.00 0.00 C ATOM 1427 CD1 PHE B 88 12.242 7.144 6.376 1.00 0.00 C ATOM 1428 CD2 PHE B 88 13.416 5.097 6.707 1.00 0.00 C ATOM 1429 CE1 PHE B 88 11.542 6.929 7.548 1.00 0.00 C ATOM 1430 CE2 PHE B 88 12.725 4.879 7.877 1.00 0.00 C ATOM 1431 CZ PHE B 88 11.785 5.794 8.298 1.00 0.00 C ATOM 0 H PHE B 88 15.801 6.389 3.148 1.00 0.00 H new ATOM 0 HA PHE B 88 14.473 8.501 4.407 1.00 0.00 H new ATOM 0 HB2 PHE B 88 13.214 6.615 3.870 1.00 0.00 H new ATOM 0 HB3 PHE B 88 14.447 5.497 4.417 1.00 0.00 H new ATOM 0 HD1 PHE B 88 12.049 8.031 5.791 1.00 0.00 H new ATOM 0 HD2 PHE B 88 14.147 4.373 6.378 1.00 0.00 H new ATOM 0 HE1 PHE B 88 10.806 7.647 7.877 1.00 0.00 H new ATOM 0 HE2 PHE B 88 12.919 3.993 8.464 1.00 0.00 H new ATOM 0 HZ PHE B 88 11.238 5.624 9.214 1.00 0.00 H new ATOM 1441 N GLU B 89 16.325 6.780 6.540 1.00 0.00 N ATOM 1442 CA GLU B 89 16.930 6.883 7.869 1.00 0.00 C ATOM 1443 C GLU B 89 17.871 8.076 7.952 1.00 0.00 C ATOM 1444 O GLU B 89 17.804 8.872 8.889 1.00 0.00 O ATOM 1445 CB GLU B 89 17.711 5.622 8.215 1.00 0.00 C ATOM 1446 CG GLU B 89 16.890 4.355 8.162 1.00 0.00 C ATOM 1447 CD GLU B 89 17.594 3.190 8.830 1.00 0.00 C ATOM 1448 OE1 GLU B 89 17.014 2.601 9.773 1.00 0.00 O ATOM 1449 OE2 GLU B 89 18.735 2.872 8.438 1.00 0.00 O ATOM 0 H GLU B 89 16.503 5.898 6.060 1.00 0.00 H new ATOM 0 HA GLU B 89 16.114 7.013 8.580 1.00 0.00 H new ATOM 0 HB2 GLU B 89 18.551 5.527 7.527 1.00 0.00 H new ATOM 0 HB3 GLU B 89 18.130 5.730 9.216 1.00 0.00 H new ATOM 0 HG2 GLU B 89 15.930 4.525 8.649 1.00 0.00 H new ATOM 0 HG3 GLU B 89 16.680 4.103 7.123 1.00 0.00 H new ATOM 1456 N GLU B 90 18.726 8.189 6.948 1.00 0.00 N ATOM 1457 CA GLU B 90 19.742 9.229 6.890 1.00 0.00 C ATOM 1458 C GLU B 90 19.151 10.628 7.057 1.00 0.00 C ATOM 1459 O GLU B 90 19.750 11.488 7.706 1.00 0.00 O ATOM 1460 CB GLU B 90 20.484 9.132 5.559 1.00 0.00 C ATOM 1461 CG GLU B 90 21.578 8.077 5.543 1.00 0.00 C ATOM 1462 CD GLU B 90 22.689 8.380 6.526 1.00 0.00 C ATOM 1463 OE1 GLU B 90 23.447 9.345 6.294 1.00 0.00 O ATOM 1464 OE2 GLU B 90 22.819 7.656 7.531 1.00 0.00 O ATOM 0 H GLU B 90 18.735 7.559 6.146 1.00 0.00 H new ATOM 0 HA GLU B 90 20.430 9.071 7.720 1.00 0.00 H new ATOM 0 HB2 GLU B 90 19.767 8.910 4.769 1.00 0.00 H new ATOM 0 HB3 GLU B 90 20.924 10.102 5.327 1.00 0.00 H new ATOM 0 HG2 GLU B 90 21.144 7.105 5.778 1.00 0.00 H new ATOM 0 HG3 GLU B 90 21.995 8.006 4.539 1.00 0.00 H new ATOM 1471 N PHE B 91 17.977 10.859 6.489 1.00 0.00 N ATOM 1472 CA PHE B 91 17.400 12.193 6.499 1.00 0.00 C ATOM 1473 C PHE B 91 16.244 12.333 7.491 1.00 0.00 C ATOM 1474 O PHE B 91 15.539 13.341 7.478 1.00 0.00 O ATOM 1475 CB PHE B 91 16.968 12.592 5.088 1.00 0.00 C ATOM 1476 CG PHE B 91 18.134 12.800 4.160 1.00 0.00 C ATOM 1477 CD1 PHE B 91 18.374 11.921 3.115 1.00 0.00 C ATOM 1478 CD2 PHE B 91 18.998 13.868 4.342 1.00 0.00 C ATOM 1479 CE1 PHE B 91 19.452 12.105 2.271 1.00 0.00 C ATOM 1480 CE2 PHE B 91 20.078 14.057 3.499 1.00 0.00 C ATOM 1481 CZ PHE B 91 20.305 13.173 2.462 1.00 0.00 C ATOM 0 H PHE B 91 17.412 10.150 6.021 1.00 0.00 H new ATOM 0 HA PHE B 91 18.177 12.878 6.840 1.00 0.00 H new ATOM 0 HB2 PHE B 91 16.317 11.819 4.679 1.00 0.00 H new ATOM 0 HB3 PHE B 91 16.381 13.509 5.138 1.00 0.00 H new ATOM 0 HD1 PHE B 91 17.711 11.083 2.959 1.00 0.00 H new ATOM 0 HD2 PHE B 91 18.826 14.561 5.152 1.00 0.00 H new ATOM 0 HE1 PHE B 91 19.627 11.413 1.461 1.00 0.00 H new ATOM 0 HE2 PHE B 91 20.743 14.894 3.651 1.00 0.00 H new ATOM 0 HZ PHE B 91 21.148 13.317 1.802 1.00 0.00 H new ATOM 1491 N ARG B 92 16.066 11.346 8.372 1.00 0.00 N ATOM 1492 CA ARG B 92 15.111 11.483 9.483 1.00 0.00 C ATOM 1493 C ARG B 92 15.673 12.457 10.500 1.00 0.00 C ATOM 1494 O ARG B 92 14.999 12.885 11.435 1.00 0.00 O ATOM 1495 CB ARG B 92 14.834 10.146 10.173 1.00 0.00 C ATOM 1496 CG ARG B 92 14.289 9.086 9.245 1.00 0.00 C ATOM 1497 CD ARG B 92 13.963 7.796 9.983 1.00 0.00 C ATOM 1498 NE ARG B 92 12.802 7.937 10.868 1.00 0.00 N ATOM 1499 CZ ARG B 92 12.341 6.963 11.659 1.00 0.00 C ATOM 1500 NH1 ARG B 92 12.981 5.802 11.739 1.00 0.00 N ATOM 1501 NH2 ARG B 92 11.246 7.157 12.384 1.00 0.00 N ATOM 0 H ARG B 92 16.561 10.454 8.343 1.00 0.00 H new ATOM 0 HA ARG B 92 14.170 11.847 9.071 1.00 0.00 H new ATOM 0 HB2 ARG B 92 15.757 9.782 10.624 1.00 0.00 H new ATOM 0 HB3 ARG B 92 14.124 10.306 10.984 1.00 0.00 H new ATOM 0 HG2 ARG B 92 13.390 9.460 8.755 1.00 0.00 H new ATOM 0 HG3 ARG B 92 15.018 8.881 8.461 1.00 0.00 H new ATOM 0 HD2 ARG B 92 13.770 7.005 9.259 1.00 0.00 H new ATOM 0 HD3 ARG B 92 14.828 7.487 10.570 1.00 0.00 H new ATOM 0 HE ARG B 92 12.316 8.834 10.881 1.00 0.00 H new ATOM 0 HH11 ARG B 92 13.830 5.649 11.195 1.00 0.00 H new ATOM 0 HH12 ARG B 92 12.623 5.063 12.345 1.00 0.00 H new ATOM 0 HH21 ARG B 92 10.755 8.050 12.338 1.00 0.00 H new ATOM 0 HH22 ARG B 92 10.895 6.413 12.987 1.00 0.00 H new ATOM 1515 N ASP B 93 16.947 12.758 10.313 1.00 0.00 N ATOM 1516 CA ASP B 93 17.656 13.732 11.116 1.00 0.00 C ATOM 1517 C ASP B 93 17.133 15.138 10.820 1.00 0.00 C ATOM 1518 O ASP B 93 17.359 16.076 11.583 1.00 0.00 O ATOM 1519 CB ASP B 93 19.142 13.630 10.791 1.00 0.00 C ATOM 1520 CG ASP B 93 20.027 14.349 11.790 1.00 0.00 C ATOM 1521 OD1 ASP B 93 20.399 13.733 12.809 1.00 0.00 O ATOM 1522 OD2 ASP B 93 20.381 15.521 11.544 1.00 0.00 O ATOM 0 H ASP B 93 17.522 12.326 9.590 1.00 0.00 H new ATOM 0 HA ASP B 93 17.498 13.534 12.176 1.00 0.00 H new ATOM 0 HB2 ASP B 93 19.427 12.579 10.755 1.00 0.00 H new ATOM 0 HB3 ASP B 93 19.318 14.042 9.798 1.00 0.00 H new ATOM 1527 N SER B 94 16.417 15.263 9.707 1.00 0.00 N ATOM 1528 CA SER B 94 15.850 16.533 9.291 1.00 0.00 C ATOM 1529 C SER B 94 14.344 16.541 9.553 1.00 0.00 C ATOM 1530 O SER B 94 13.755 15.500 9.842 1.00 0.00 O ATOM 1531 CB SER B 94 16.140 16.773 7.804 1.00 0.00 C ATOM 1532 OG SER B 94 15.820 18.100 7.412 1.00 0.00 O ATOM 0 H SER B 94 16.216 14.489 9.074 1.00 0.00 H new ATOM 0 HA SER B 94 16.307 17.337 9.868 1.00 0.00 H new ATOM 0 HB2 SER B 94 17.194 16.579 7.603 1.00 0.00 H new ATOM 0 HB3 SER B 94 15.566 16.068 7.203 1.00 0.00 H new ATOM 0 HG SER B 94 16.184 18.274 6.519 1.00 0.00 H new ATOM 1538 N ASP B 95 13.737 17.716 9.454 1.00 0.00 N ATOM 1539 CA ASP B 95 12.312 17.880 9.728 1.00 0.00 C ATOM 1540 C ASP B 95 11.466 17.153 8.683 1.00 0.00 C ATOM 1541 O ASP B 95 10.535 16.419 9.012 1.00 0.00 O ATOM 1542 CB ASP B 95 11.940 19.369 9.748 1.00 0.00 C ATOM 1543 CG ASP B 95 12.747 20.170 10.753 1.00 0.00 C ATOM 1544 OD1 ASP B 95 12.169 20.623 11.761 1.00 0.00 O ATOM 1545 OD2 ASP B 95 13.965 20.366 10.531 1.00 0.00 O ATOM 0 H ASP B 95 14.212 18.577 9.184 1.00 0.00 H new ATOM 0 HA ASP B 95 12.107 17.445 10.706 1.00 0.00 H new ATOM 0 HB2 ASP B 95 12.090 19.788 8.753 1.00 0.00 H new ATOM 0 HB3 ASP B 95 10.880 19.470 9.979 1.00 0.00 H new ATOM 1550 N ASP B 96 11.788 17.366 7.419 1.00 0.00 N ATOM 1551 CA ASP B 96 11.078 16.699 6.339 1.00 0.00 C ATOM 1552 C ASP B 96 12.017 15.750 5.622 1.00 0.00 C ATOM 1553 O ASP B 96 12.836 16.173 4.797 1.00 0.00 O ATOM 1554 CB ASP B 96 10.495 17.722 5.357 1.00 0.00 C ATOM 1555 CG ASP B 96 9.714 17.086 4.217 1.00 0.00 C ATOM 1556 OD1 ASP B 96 9.392 17.803 3.246 1.00 0.00 O ATOM 1557 OD2 ASP B 96 9.419 15.874 4.277 1.00 0.00 O ATOM 0 H ASP B 96 12.533 17.993 7.115 1.00 0.00 H new ATOM 0 HA ASP B 96 10.250 16.130 6.761 1.00 0.00 H new ATOM 0 HB2 ASP B 96 9.841 18.404 5.900 1.00 0.00 H new ATOM 0 HB3 ASP B 96 11.306 18.320 4.943 1.00 0.00 H new ATOM 1562 N VAL B 97 11.922 14.471 5.961 1.00 0.00 N ATOM 1563 CA VAL B 97 12.789 13.474 5.364 1.00 0.00 C ATOM 1564 C VAL B 97 12.478 13.312 3.883 1.00 0.00 C ATOM 1565 O VAL B 97 13.390 13.223 3.065 1.00 0.00 O ATOM 1566 CB VAL B 97 12.718 12.096 6.088 1.00 0.00 C ATOM 1567 CG1 VAL B 97 11.327 11.493 6.054 1.00 0.00 C ATOM 1568 CG2 VAL B 97 13.711 11.124 5.483 1.00 0.00 C ATOM 0 H VAL B 97 11.257 14.105 6.642 1.00 0.00 H new ATOM 0 HA VAL B 97 13.810 13.839 5.480 1.00 0.00 H new ATOM 0 HB VAL B 97 12.973 12.278 7.132 1.00 0.00 H new ATOM 0 HG11 VAL B 97 11.333 10.534 6.572 1.00 0.00 H new ATOM 0 HG12 VAL B 97 10.626 12.167 6.547 1.00 0.00 H new ATOM 0 HG13 VAL B 97 11.020 11.344 5.019 1.00 0.00 H new ATOM 0 HG21 VAL B 97 13.646 10.168 6.002 1.00 0.00 H new ATOM 0 HG22 VAL B 97 13.482 10.980 4.427 1.00 0.00 H new ATOM 0 HG23 VAL B 97 14.720 11.524 5.584 1.00 0.00 H new ATOM 1578 N LEU B 98 11.196 13.349 3.527 1.00 0.00 N ATOM 1579 CA LEU B 98 10.792 13.117 2.149 1.00 0.00 C ATOM 1580 C LEU B 98 11.203 14.285 1.267 1.00 0.00 C ATOM 1581 O LEU B 98 11.471 14.111 0.077 1.00 0.00 O ATOM 1582 CB LEU B 98 9.288 12.873 2.034 1.00 0.00 C ATOM 1583 CG LEU B 98 8.763 11.654 2.786 1.00 0.00 C ATOM 1584 CD1 LEU B 98 8.243 12.049 4.158 1.00 0.00 C ATOM 1585 CD2 LEU B 98 7.682 10.954 1.978 1.00 0.00 C ATOM 0 H LEU B 98 10.427 13.536 4.170 1.00 0.00 H new ATOM 0 HA LEU B 98 11.303 12.217 1.807 1.00 0.00 H new ATOM 0 HB2 LEU B 98 8.765 13.757 2.399 1.00 0.00 H new ATOM 0 HB3 LEU B 98 9.034 12.765 0.979 1.00 0.00 H new ATOM 0 HG LEU B 98 9.589 10.957 2.927 1.00 0.00 H new ATOM 0 HD11 LEU B 98 7.874 11.164 4.676 1.00 0.00 H new ATOM 0 HD12 LEU B 98 9.050 12.498 4.737 1.00 0.00 H new ATOM 0 HD13 LEU B 98 7.432 12.769 4.046 1.00 0.00 H new ATOM 0 HD21 LEU B 98 7.319 10.087 2.530 1.00 0.00 H new ATOM 0 HD22 LEU B 98 6.856 11.643 1.801 1.00 0.00 H new ATOM 0 HD23 LEU B 98 8.094 10.629 1.023 1.00 0.00 H new ATOM 1597 N GLY B 99 11.251 15.473 1.857 1.00 0.00 N ATOM 1598 CA GLY B 99 11.737 16.637 1.143 1.00 0.00 C ATOM 1599 C GLY B 99 13.169 16.453 0.696 1.00 0.00 C ATOM 1600 O GLY B 99 13.511 16.714 -0.460 1.00 0.00 O ATOM 0 H GLY B 99 10.961 15.651 2.819 1.00 0.00 H new ATOM 0 HA2 GLY B 99 11.105 16.823 0.275 1.00 0.00 H new ATOM 0 HA3 GLY B 99 11.665 17.515 1.784 1.00 0.00 H new ATOM 1604 N HIS B 100 14.004 15.969 1.604 1.00 0.00 N ATOM 1605 CA HIS B 100 15.393 15.692 1.279 1.00 0.00 C ATOM 1606 C HIS B 100 15.488 14.455 0.403 1.00 0.00 C ATOM 1607 O HIS B 100 16.324 14.392 -0.489 1.00 0.00 O ATOM 1608 CB HIS B 100 16.235 15.515 2.543 1.00 0.00 C ATOM 1609 CG HIS B 100 16.580 16.806 3.223 1.00 0.00 C ATOM 1610 ND1 HIS B 100 17.831 17.384 3.150 1.00 0.00 N ATOM 1611 CD2 HIS B 100 15.831 17.635 3.990 1.00 0.00 C ATOM 1612 CE1 HIS B 100 17.836 18.507 3.844 1.00 0.00 C ATOM 1613 NE2 HIS B 100 16.635 18.682 4.361 1.00 0.00 N ATOM 0 H HIS B 100 13.744 15.761 2.568 1.00 0.00 H new ATOM 0 HA HIS B 100 15.789 16.547 0.731 1.00 0.00 H new ATOM 0 HB2 HIS B 100 15.694 14.879 3.243 1.00 0.00 H new ATOM 0 HB3 HIS B 100 17.156 14.993 2.285 1.00 0.00 H new ATOM 0 HD2 HIS B 100 14.794 17.497 4.259 1.00 0.00 H new ATOM 0 HE1 HIS B 100 18.680 19.170 3.967 1.00 0.00 H new ATOM 0 HE2 HIS B 100 16.350 19.470 4.943 1.00 0.00 H new ATOM 1622 N ILE B 101 14.612 13.488 0.655 1.00 0.00 N ATOM 1623 CA ILE B 101 14.537 12.283 -0.162 1.00 0.00 C ATOM 1624 C ILE B 101 14.447 12.636 -1.639 1.00 0.00 C ATOM 1625 O ILE B 101 15.316 12.269 -2.418 1.00 0.00 O ATOM 1626 CB ILE B 101 13.324 11.405 0.233 1.00 0.00 C ATOM 1627 CG1 ILE B 101 13.618 10.640 1.532 1.00 0.00 C ATOM 1628 CG2 ILE B 101 12.949 10.443 -0.890 1.00 0.00 C ATOM 1629 CD1 ILE B 101 12.448 9.827 2.051 1.00 0.00 C ATOM 0 H ILE B 101 13.941 13.516 1.423 1.00 0.00 H new ATOM 0 HA ILE B 101 15.450 11.715 0.017 1.00 0.00 H new ATOM 0 HB ILE B 101 12.471 12.062 0.403 1.00 0.00 H new ATOM 0 HG12 ILE B 101 14.464 9.973 1.365 1.00 0.00 H new ATOM 0 HG13 ILE B 101 13.921 11.352 2.300 1.00 0.00 H new ATOM 0 HG21 ILE B 101 12.094 9.840 -0.583 1.00 0.00 H new ATOM 0 HG22 ILE B 101 12.690 11.010 -1.784 1.00 0.00 H new ATOM 0 HG23 ILE B 101 13.794 9.790 -1.107 1.00 0.00 H new ATOM 0 HD11 ILE B 101 12.738 9.318 2.970 1.00 0.00 H new ATOM 0 HD12 ILE B 101 11.606 10.489 2.253 1.00 0.00 H new ATOM 0 HD13 ILE B 101 12.158 9.089 1.303 1.00 0.00 H new ATOM 1641 N MET B 102 13.410 13.379 -2.006 1.00 0.00 N ATOM 1642 CA MET B 102 13.167 13.723 -3.402 1.00 0.00 C ATOM 1643 C MET B 102 14.342 14.467 -4.017 1.00 0.00 C ATOM 1644 O MET B 102 14.719 14.215 -5.160 1.00 0.00 O ATOM 1645 CB MET B 102 11.911 14.579 -3.525 1.00 0.00 C ATOM 1646 CG MET B 102 10.639 13.832 -3.185 1.00 0.00 C ATOM 1647 SD MET B 102 9.166 14.830 -3.437 1.00 0.00 S ATOM 1648 CE MET B 102 7.912 13.595 -3.150 1.00 0.00 C ATOM 0 H MET B 102 12.722 13.756 -1.354 1.00 0.00 H new ATOM 0 HA MET B 102 13.034 12.787 -3.945 1.00 0.00 H new ATOM 0 HB2 MET B 102 12.003 15.443 -2.867 1.00 0.00 H new ATOM 0 HB3 MET B 102 11.838 14.960 -4.544 1.00 0.00 H new ATOM 0 HG2 MET B 102 10.574 12.933 -3.798 1.00 0.00 H new ATOM 0 HG3 MET B 102 10.680 13.506 -2.146 1.00 0.00 H new ATOM 0 HE1 MET B 102 6.998 13.877 -3.672 1.00 0.00 H new ATOM 0 HE2 MET B 102 8.259 12.631 -3.521 1.00 0.00 H new ATOM 0 HE3 MET B 102 7.712 13.521 -2.081 1.00 0.00 H new ATOM 1658 N LYS B 103 14.930 15.368 -3.249 1.00 0.00 N ATOM 1659 CA LYS B 103 15.990 16.221 -3.765 1.00 0.00 C ATOM 1660 C LYS B 103 17.318 15.473 -3.840 1.00 0.00 C ATOM 1661 O LYS B 103 18.178 15.798 -4.660 1.00 0.00 O ATOM 1662 CB LYS B 103 16.142 17.474 -2.893 1.00 0.00 C ATOM 1663 CG LYS B 103 14.896 18.351 -2.848 1.00 0.00 C ATOM 1664 CD LYS B 103 14.499 18.840 -4.234 1.00 0.00 C ATOM 1665 CE LYS B 103 13.249 19.708 -4.193 1.00 0.00 C ATOM 1666 NZ LYS B 103 13.458 20.964 -3.424 1.00 0.00 N ATOM 0 H LYS B 103 14.694 15.529 -2.270 1.00 0.00 H new ATOM 0 HA LYS B 103 15.712 16.521 -4.775 1.00 0.00 H new ATOM 0 HB2 LYS B 103 16.397 17.169 -1.878 1.00 0.00 H new ATOM 0 HB3 LYS B 103 16.977 18.066 -3.267 1.00 0.00 H new ATOM 0 HG2 LYS B 103 14.071 17.788 -2.411 1.00 0.00 H new ATOM 0 HG3 LYS B 103 15.077 19.207 -2.198 1.00 0.00 H new ATOM 0 HD2 LYS B 103 15.322 19.408 -4.668 1.00 0.00 H new ATOM 0 HD3 LYS B 103 14.325 17.983 -4.885 1.00 0.00 H new ATOM 0 HE2 LYS B 103 12.947 19.954 -5.211 1.00 0.00 H new ATOM 0 HE3 LYS B 103 12.431 19.143 -3.746 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 12.636 21.589 -3.550 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 13.570 20.739 -2.415 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 14.314 21.444 -3.769 1.00 0.00 H new ATOM 1680 N ASN B 104 17.479 14.463 -2.999 1.00 0.00 N ATOM 1681 CA ASN B 104 18.753 13.761 -2.887 1.00 0.00 C ATOM 1682 C ASN B 104 18.684 12.344 -3.456 1.00 0.00 C ATOM 1683 O ASN B 104 19.655 11.593 -3.369 1.00 0.00 O ATOM 1684 CB ASN B 104 19.208 13.717 -1.422 1.00 0.00 C ATOM 1685 CG ASN B 104 19.458 15.100 -0.829 1.00 0.00 C ATOM 1686 OD1 ASN B 104 19.976 16.021 -1.630 1.00 0.00 O flip ATOM 1687 ND2 ASN B 104 19.195 15.338 0.352 1.00 0.00 N flip ATOM 0 H ASN B 104 16.746 14.110 -2.384 1.00 0.00 H new ATOM 0 HA ASN B 104 19.481 14.316 -3.479 1.00 0.00 H new ATOM 0 HB2 ASN B 104 18.450 13.206 -0.828 1.00 0.00 H new ATOM 0 HB3 ASN B 104 20.122 13.127 -1.350 1.00 0.00 H new ATOM 0 HD21 ASN B 104 18.797 14.608 0.943 1.00 0.00 H new ATOM 0 HD22 ASN B 104 19.375 16.265 0.738 1.00 0.00 H new ATOM 1694 N ILE B 105 17.552 11.969 -4.042 1.00 0.00 N ATOM 1695 CA ILE B 105 17.436 10.647 -4.651 1.00 0.00 C ATOM 1696 C ILE B 105 17.387 10.746 -6.167 1.00 0.00 C ATOM 1697 O ILE B 105 17.039 11.786 -6.732 1.00 0.00 O ATOM 1698 CB ILE B 105 16.206 9.846 -4.144 1.00 0.00 C ATOM 1699 CG1 ILE B 105 16.347 8.362 -4.506 1.00 0.00 C ATOM 1700 CG2 ILE B 105 14.905 10.399 -4.715 1.00 0.00 C ATOM 1701 CD1 ILE B 105 15.282 7.470 -3.902 1.00 0.00 C ATOM 0 H ILE B 105 16.715 12.549 -4.109 1.00 0.00 H new ATOM 0 HA ILE B 105 18.329 10.102 -4.347 1.00 0.00 H new ATOM 0 HB ILE B 105 16.171 9.949 -3.059 1.00 0.00 H new ATOM 0 HG12 ILE B 105 16.318 8.260 -5.591 1.00 0.00 H new ATOM 0 HG13 ILE B 105 17.326 8.012 -4.179 1.00 0.00 H new ATOM 0 HG21 ILE B 105 14.065 9.815 -4.339 1.00 0.00 H new ATOM 0 HG22 ILE B 105 14.788 11.439 -4.412 1.00 0.00 H new ATOM 0 HG23 ILE B 105 14.931 10.339 -5.803 1.00 0.00 H new ATOM 0 HD11 ILE B 105 15.455 6.438 -4.208 1.00 0.00 H new ATOM 0 HD12 ILE B 105 15.324 7.538 -2.815 1.00 0.00 H new ATOM 0 HD13 ILE B 105 14.299 7.791 -4.248 1.00 0.00 H new ATOM 1713 N THR B 106 17.738 9.645 -6.804 1.00 0.00 N ATOM 1714 CA THR B 106 17.794 9.553 -8.246 1.00 0.00 C ATOM 1715 C THR B 106 16.395 9.413 -8.847 1.00 0.00 C ATOM 1716 O THR B 106 16.182 9.701 -10.027 1.00 0.00 O ATOM 1717 CB THR B 106 18.663 8.344 -8.643 1.00 0.00 C ATOM 1718 OG1 THR B 106 19.020 8.405 -10.031 1.00 0.00 O ATOM 1719 CG2 THR B 106 17.950 7.025 -8.361 1.00 0.00 C ATOM 0 H THR B 106 17.995 8.781 -6.327 1.00 0.00 H new ATOM 0 HA THR B 106 18.234 10.470 -8.637 1.00 0.00 H new ATOM 0 HB THR B 106 19.567 8.387 -8.036 1.00 0.00 H new ATOM 0 HG1 THR B 106 19.573 7.629 -10.261 1.00 0.00 H new ATOM 0 HG21 THR B 106 18.592 6.194 -8.653 1.00 0.00 H new ATOM 0 HG22 THR B 106 17.725 6.953 -7.297 1.00 0.00 H new ATOM 0 HG23 THR B 106 17.022 6.984 -8.931 1.00 0.00 H new ATOM 1727 N ALA B 107 15.441 8.982 -8.032 1.00 0.00 N ATOM 1728 CA ALA B 107 14.093 8.724 -8.523 1.00 0.00 C ATOM 1729 C ALA B 107 13.171 9.895 -8.224 1.00 0.00 C ATOM 1730 O ALA B 107 13.071 10.344 -7.086 1.00 0.00 O ATOM 1731 CB ALA B 107 13.542 7.445 -7.906 1.00 0.00 C ATOM 0 H ALA B 107 15.573 8.805 -7.036 1.00 0.00 H new ATOM 0 HA ALA B 107 14.143 8.600 -9.605 1.00 0.00 H new ATOM 0 HB1 ALA B 107 12.535 7.265 -8.281 1.00 0.00 H new ATOM 0 HB2 ALA B 107 14.185 6.606 -8.173 1.00 0.00 H new ATOM 0 HB3 ALA B 107 13.512 7.548 -6.821 1.00 0.00 H new ATOM 1737 N LYS B 108 12.482 10.382 -9.240 1.00 0.00 N ATOM 1738 CA LYS B 108 11.558 11.488 -9.059 1.00 0.00 C ATOM 1739 C LYS B 108 10.152 10.941 -8.891 1.00 0.00 C ATOM 1740 O LYS B 108 9.522 10.511 -9.859 1.00 0.00 O ATOM 1741 CB LYS B 108 11.620 12.447 -10.251 1.00 0.00 C ATOM 1742 CG LYS B 108 13.034 12.842 -10.673 1.00 0.00 C ATOM 1743 CD LYS B 108 13.661 13.912 -9.777 1.00 0.00 C ATOM 1744 CE LYS B 108 14.172 13.357 -8.454 1.00 0.00 C ATOM 1745 NZ LYS B 108 15.102 14.302 -7.785 1.00 0.00 N ATOM 0 H LYS B 108 12.544 10.031 -10.196 1.00 0.00 H new ATOM 0 HA LYS B 108 11.839 12.046 -8.166 1.00 0.00 H new ATOM 0 HB2 LYS B 108 11.117 11.984 -11.100 1.00 0.00 H new ATOM 0 HB3 LYS B 108 11.062 13.350 -10.004 1.00 0.00 H new ATOM 0 HG2 LYS B 108 13.668 11.955 -10.665 1.00 0.00 H new ATOM 0 HG3 LYS B 108 13.010 13.207 -11.700 1.00 0.00 H new ATOM 0 HD2 LYS B 108 14.486 14.385 -10.309 1.00 0.00 H new ATOM 0 HD3 LYS B 108 12.923 14.689 -9.578 1.00 0.00 H new ATOM 0 HE2 LYS B 108 13.328 13.150 -7.796 1.00 0.00 H new ATOM 0 HE3 LYS B 108 14.680 12.409 -8.629 1.00 0.00 H new ATOM 0 HZ1 LYS B 108 16.039 13.860 -7.692 1.00 0.00 H new ATOM 0 HZ2 LYS B 108 15.183 15.170 -8.353 1.00 0.00 H new ATOM 0 HZ3 LYS B 108 14.736 14.539 -6.841 1.00 0.00 H new ATOM 1759 N ARG B 109 9.675 10.925 -7.658 1.00 0.00 N ATOM 1760 CA ARG B 109 8.380 10.327 -7.360 1.00 0.00 C ATOM 1761 C ARG B 109 7.573 11.172 -6.382 1.00 0.00 C ATOM 1762 O ARG B 109 8.008 12.244 -5.964 1.00 0.00 O ATOM 1763 CB ARG B 109 8.581 8.921 -6.804 1.00 0.00 C ATOM 1764 CG ARG B 109 9.677 8.856 -5.761 1.00 0.00 C ATOM 1765 CD ARG B 109 10.016 7.426 -5.414 1.00 0.00 C ATOM 1766 NE ARG B 109 9.032 6.809 -4.543 1.00 0.00 N ATOM 1767 CZ ARG B 109 8.826 5.505 -4.515 1.00 0.00 C ATOM 1768 NH1 ARG B 109 9.441 4.733 -5.407 1.00 0.00 N ATOM 1769 NH2 ARG B 109 8.004 4.975 -3.616 1.00 0.00 N ATOM 0 H ARG B 109 10.160 11.316 -6.850 1.00 0.00 H new ATOM 0 HA ARG B 109 7.812 10.277 -8.289 1.00 0.00 H new ATOM 0 HB2 ARG B 109 7.646 8.571 -6.365 1.00 0.00 H new ATOM 0 HB3 ARG B 109 8.823 8.242 -7.622 1.00 0.00 H new ATOM 0 HG2 ARG B 109 10.567 9.364 -6.133 1.00 0.00 H new ATOM 0 HG3 ARG B 109 9.360 9.386 -4.863 1.00 0.00 H new ATOM 0 HD2 ARG B 109 10.097 6.844 -6.332 1.00 0.00 H new ATOM 0 HD3 ARG B 109 10.992 7.396 -4.930 1.00 0.00 H new ATOM 0 HE ARG B 109 8.478 7.406 -3.929 1.00 0.00 H new ATOM 0 HH11 ARG B 109 10.062 5.150 -6.100 1.00 0.00 H new ATOM 0 HH12 ARG B 109 9.292 3.724 -5.397 1.00 0.00 H new ATOM 0 HH21 ARG B 109 7.528 5.576 -2.943 1.00 0.00 H new ATOM 0 HH22 ARG B 109 7.848 3.967 -3.599 1.00 0.00 H new ATOM 1783 N SER B 110 6.398 10.665 -6.028 1.00 0.00 N ATOM 1784 CA SER B 110 5.451 11.389 -5.194 1.00 0.00 C ATOM 1785 C SER B 110 5.557 10.981 -3.726 1.00 0.00 C ATOM 1786 O SER B 110 6.133 9.939 -3.395 1.00 0.00 O ATOM 1787 CB SER B 110 4.037 11.118 -5.702 1.00 0.00 C ATOM 1788 OG SER B 110 3.814 9.722 -5.847 1.00 0.00 O ATOM 0 H SER B 110 6.076 9.740 -6.312 1.00 0.00 H new ATOM 0 HA SER B 110 5.683 12.452 -5.256 1.00 0.00 H new ATOM 0 HB2 SER B 110 3.309 11.537 -5.007 1.00 0.00 H new ATOM 0 HB3 SER B 110 3.888 11.617 -6.660 1.00 0.00 H new ATOM 0 HG SER B 110 2.902 9.568 -6.172 1.00 0.00 H new ATOM 1794 N ARG B 111 4.976 11.804 -2.855 1.00 0.00 N ATOM 1795 CA ARG B 111 4.952 11.534 -1.421 1.00 0.00 C ATOM 1796 C ARG B 111 4.159 10.270 -1.126 1.00 0.00 C ATOM 1797 O ARG B 111 4.603 9.413 -0.363 1.00 0.00 O ATOM 1798 CB ARG B 111 4.324 12.710 -0.663 1.00 0.00 C ATOM 1799 CG ARG B 111 5.160 13.977 -0.682 1.00 0.00 C ATOM 1800 CD ARG B 111 6.371 13.868 0.229 1.00 0.00 C ATOM 1801 NE ARG B 111 7.265 15.017 0.082 1.00 0.00 N ATOM 1802 CZ ARG B 111 7.737 15.744 1.098 1.00 0.00 C ATOM 1803 NH1 ARG B 111 7.442 15.424 2.352 1.00 0.00 N ATOM 1804 NH2 ARG B 111 8.516 16.791 0.862 1.00 0.00 N ATOM 0 H ARG B 111 4.511 12.672 -3.123 1.00 0.00 H new ATOM 0 HA ARG B 111 5.981 11.398 -1.090 1.00 0.00 H new ATOM 0 HB2 ARG B 111 3.347 12.926 -1.094 1.00 0.00 H new ATOM 0 HB3 ARG B 111 4.157 12.413 0.372 1.00 0.00 H new ATOM 0 HG2 ARG B 111 5.489 14.180 -1.701 1.00 0.00 H new ATOM 0 HG3 ARG B 111 4.546 14.822 -0.371 1.00 0.00 H new ATOM 0 HD2 ARG B 111 6.041 13.794 1.265 1.00 0.00 H new ATOM 0 HD3 ARG B 111 6.916 12.952 0.002 1.00 0.00 H new ATOM 0 HE ARG B 111 7.547 15.281 -0.862 1.00 0.00 H new ATOM 0 HH11 ARG B 111 6.850 14.617 2.546 1.00 0.00 H new ATOM 0 HH12 ARG B 111 7.807 15.986 3.121 1.00 0.00 H new ATOM 0 HH21 ARG B 111 8.756 17.042 -0.097 1.00 0.00 H new ATOM 0 HH22 ARG B 111 8.875 17.345 1.639 1.00 0.00 H new ATOM 1818 N ALA B 112 2.998 10.153 -1.766 1.00 0.00 N ATOM 1819 CA ALA B 112 2.072 9.049 -1.520 1.00 0.00 C ATOM 1820 C ALA B 112 2.717 7.695 -1.792 1.00 0.00 C ATOM 1821 O ALA B 112 2.364 6.696 -1.175 1.00 0.00 O ATOM 1822 CB ALA B 112 0.824 9.217 -2.369 1.00 0.00 C ATOM 0 H ALA B 112 2.673 10.818 -2.468 1.00 0.00 H new ATOM 0 HA ALA B 112 1.798 9.075 -0.465 1.00 0.00 H new ATOM 0 HB1 ALA B 112 0.140 8.390 -2.179 1.00 0.00 H new ATOM 0 HB2 ALA B 112 0.335 10.158 -2.115 1.00 0.00 H new ATOM 0 HB3 ALA B 112 1.100 9.225 -3.424 1.00 0.00 H new ATOM 1828 N ARG B 113 3.663 7.662 -2.717 1.00 0.00 N ATOM 1829 CA ARG B 113 4.329 6.418 -3.064 1.00 0.00 C ATOM 1830 C ARG B 113 5.474 6.104 -2.110 1.00 0.00 C ATOM 1831 O ARG B 113 5.792 4.940 -1.877 1.00 0.00 O ATOM 1832 CB ARG B 113 4.841 6.472 -4.499 1.00 0.00 C ATOM 1833 CG ARG B 113 3.946 5.744 -5.487 1.00 0.00 C ATOM 1834 CD ARG B 113 4.116 4.231 -5.396 1.00 0.00 C ATOM 1835 NE ARG B 113 3.539 3.652 -4.170 1.00 0.00 N ATOM 1836 CZ ARG B 113 4.158 2.759 -3.386 1.00 0.00 C ATOM 1837 NH1 ARG B 113 5.443 2.487 -3.571 1.00 0.00 N ATOM 1838 NH2 ARG B 113 3.507 2.162 -2.400 1.00 0.00 N ATOM 0 H ARG B 113 3.985 8.478 -3.238 1.00 0.00 H new ATOM 0 HA ARG B 113 3.594 5.618 -2.975 1.00 0.00 H new ATOM 0 HB2 ARG B 113 4.935 7.514 -4.804 1.00 0.00 H new ATOM 0 HB3 ARG B 113 5.840 6.038 -4.537 1.00 0.00 H new ATOM 0 HG2 ARG B 113 2.905 6.005 -5.296 1.00 0.00 H new ATOM 0 HG3 ARG B 113 4.177 6.076 -6.499 1.00 0.00 H new ATOM 0 HD2 ARG B 113 3.648 3.767 -6.264 1.00 0.00 H new ATOM 0 HD3 ARG B 113 5.178 3.988 -5.439 1.00 0.00 H new ATOM 0 HE ARG B 113 2.603 3.952 -3.899 1.00 0.00 H new ATOM 0 HH11 ARG B 113 5.963 2.958 -4.312 1.00 0.00 H new ATOM 0 HH12 ARG B 113 5.912 1.807 -2.973 1.00 0.00 H new ATOM 0 HH21 ARG B 113 2.525 2.380 -2.231 1.00 0.00 H new ATOM 0 HH22 ARG B 113 3.987 1.484 -1.809 1.00 0.00 H new ATOM 1852 N ILE B 114 6.108 7.131 -1.577 1.00 0.00 N ATOM 1853 CA ILE B 114 7.204 6.932 -0.641 1.00 0.00 C ATOM 1854 C ILE B 114 6.674 6.534 0.729 1.00 0.00 C ATOM 1855 O ILE B 114 7.143 5.564 1.326 1.00 0.00 O ATOM 1856 CB ILE B 114 8.069 8.200 -0.526 1.00 0.00 C ATOM 1857 CG1 ILE B 114 8.693 8.518 -1.883 1.00 0.00 C ATOM 1858 CG2 ILE B 114 9.150 8.022 0.535 1.00 0.00 C ATOM 1859 CD1 ILE B 114 9.345 9.887 -1.946 1.00 0.00 C ATOM 0 H ILE B 114 5.887 8.107 -1.773 1.00 0.00 H new ATOM 0 HA ILE B 114 7.828 6.124 -1.024 1.00 0.00 H new ATOM 0 HB ILE B 114 7.437 9.034 -0.221 1.00 0.00 H new ATOM 0 HG12 ILE B 114 9.439 7.758 -2.118 1.00 0.00 H new ATOM 0 HG13 ILE B 114 7.922 8.456 -2.651 1.00 0.00 H new ATOM 0 HG21 ILE B 114 9.750 8.930 0.599 1.00 0.00 H new ATOM 0 HG22 ILE B 114 8.683 7.826 1.500 1.00 0.00 H new ATOM 0 HG23 ILE B 114 9.791 7.183 0.264 1.00 0.00 H new ATOM 0 HD11 ILE B 114 9.767 10.044 -2.939 1.00 0.00 H new ATOM 0 HD12 ILE B 114 8.599 10.655 -1.743 1.00 0.00 H new ATOM 0 HD13 ILE B 114 10.139 9.947 -1.201 1.00 0.00 H new ATOM 1871 N VAL B 115 5.669 7.263 1.204 1.00 0.00 N ATOM 1872 CA VAL B 115 5.068 6.978 2.500 1.00 0.00 C ATOM 1873 C VAL B 115 4.451 5.580 2.508 1.00 0.00 C ATOM 1874 O VAL B 115 4.520 4.863 3.502 1.00 0.00 O ATOM 1875 CB VAL B 115 3.993 8.027 2.883 1.00 0.00 C ATOM 1876 CG1 VAL B 115 4.583 9.428 2.864 1.00 0.00 C ATOM 1877 CG2 VAL B 115 2.779 7.958 1.966 1.00 0.00 C ATOM 0 H VAL B 115 5.255 8.054 0.711 1.00 0.00 H new ATOM 0 HA VAL B 115 5.865 7.027 3.242 1.00 0.00 H new ATOM 0 HB VAL B 115 3.659 7.793 3.894 1.00 0.00 H new ATOM 0 HG11 VAL B 115 3.813 10.151 3.135 1.00 0.00 H new ATOM 0 HG12 VAL B 115 5.404 9.487 3.578 1.00 0.00 H new ATOM 0 HG13 VAL B 115 4.955 9.653 1.864 1.00 0.00 H new ATOM 0 HG21 VAL B 115 2.050 8.710 2.270 1.00 0.00 H new ATOM 0 HG22 VAL B 115 3.088 8.147 0.938 1.00 0.00 H new ATOM 0 HG23 VAL B 115 2.328 6.968 2.033 1.00 0.00 H new ATOM 1887 N ASP B 116 3.886 5.196 1.369 1.00 0.00 N ATOM 1888 CA ASP B 116 3.218 3.906 1.221 1.00 0.00 C ATOM 1889 C ASP B 116 4.239 2.773 1.219 1.00 0.00 C ATOM 1890 O ASP B 116 3.986 1.682 1.731 1.00 0.00 O ATOM 1891 CB ASP B 116 2.432 3.910 -0.090 1.00 0.00 C ATOM 1892 CG ASP B 116 1.374 2.828 -0.185 1.00 0.00 C ATOM 1893 OD1 ASP B 116 1.091 2.395 -1.327 1.00 0.00 O ATOM 1894 OD2 ASP B 116 0.812 2.433 0.856 1.00 0.00 O ATOM 0 H ASP B 116 3.877 5.767 0.524 1.00 0.00 H new ATOM 0 HA ASP B 116 2.540 3.748 2.060 1.00 0.00 H new ATOM 0 HB2 ASP B 116 1.953 4.882 -0.210 1.00 0.00 H new ATOM 0 HB3 ASP B 116 3.130 3.794 -0.919 1.00 0.00 H new ATOM 1899 N LYS B 117 5.410 3.050 0.653 1.00 0.00 N ATOM 1900 CA LYS B 117 6.474 2.060 0.565 1.00 0.00 C ATOM 1901 C LYS B 117 7.068 1.795 1.949 1.00 0.00 C ATOM 1902 O LYS B 117 7.386 0.654 2.288 1.00 0.00 O ATOM 1903 CB LYS B 117 7.566 2.537 -0.401 1.00 0.00 C ATOM 1904 CG LYS B 117 8.671 1.518 -0.648 1.00 0.00 C ATOM 1905 CD LYS B 117 8.215 0.378 -1.551 1.00 0.00 C ATOM 1906 CE LYS B 117 9.325 -0.648 -1.740 1.00 0.00 C ATOM 1907 NZ LYS B 117 8.874 -1.841 -2.506 1.00 0.00 N ATOM 0 H LYS B 117 5.645 3.956 0.248 1.00 0.00 H new ATOM 0 HA LYS B 117 6.054 1.130 0.183 1.00 0.00 H new ATOM 0 HB2 LYS B 117 7.105 2.794 -1.355 1.00 0.00 H new ATOM 0 HB3 LYS B 117 8.011 3.450 -0.006 1.00 0.00 H new ATOM 0 HG2 LYS B 117 9.528 2.017 -1.101 1.00 0.00 H new ATOM 0 HG3 LYS B 117 9.007 1.111 0.306 1.00 0.00 H new ATOM 0 HD2 LYS B 117 7.339 -0.105 -1.118 1.00 0.00 H new ATOM 0 HD3 LYS B 117 7.914 0.776 -2.520 1.00 0.00 H new ATOM 0 HE2 LYS B 117 10.162 -0.182 -2.260 1.00 0.00 H new ATOM 0 HE3 LYS B 117 9.693 -0.965 -0.764 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 9.390 -2.681 -2.175 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 7.854 -1.982 -2.361 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 9.062 -1.695 -3.518 1.00 0.00 H new ATOM 1921 N LEU B 118 7.199 2.851 2.752 1.00 0.00 N ATOM 1922 CA LEU B 118 7.755 2.730 4.099 1.00 0.00 C ATOM 1923 C LEU B 118 6.927 1.782 4.946 1.00 0.00 C ATOM 1924 O LEU B 118 7.465 0.915 5.625 1.00 0.00 O ATOM 1925 CB LEU B 118 7.792 4.075 4.820 1.00 0.00 C ATOM 1926 CG LEU B 118 8.633 5.183 4.196 1.00 0.00 C ATOM 1927 CD1 LEU B 118 8.788 6.298 5.210 1.00 0.00 C ATOM 1928 CD2 LEU B 118 9.993 4.668 3.755 1.00 0.00 C ATOM 0 H LEU B 118 6.928 3.799 2.493 1.00 0.00 H new ATOM 0 HA LEU B 118 8.769 2.349 3.976 1.00 0.00 H new ATOM 0 HB2 LEU B 118 6.768 4.438 4.908 1.00 0.00 H new ATOM 0 HB3 LEU B 118 8.158 3.904 5.833 1.00 0.00 H new ATOM 0 HG LEU B 118 8.129 5.556 3.304 1.00 0.00 H new ATOM 0 HD11 LEU B 118 9.388 7.100 4.780 1.00 0.00 H new ATOM 0 HD12 LEU B 118 7.805 6.684 5.479 1.00 0.00 H new ATOM 0 HD13 LEU B 118 9.283 5.913 6.101 1.00 0.00 H new ATOM 0 HD21 LEU B 118 10.566 5.484 3.315 1.00 0.00 H new ATOM 0 HD22 LEU B 118 10.529 4.272 4.617 1.00 0.00 H new ATOM 0 HD23 LEU B 118 9.861 3.878 3.016 1.00 0.00 H new ATOM 1940 N LEU B 119 5.615 1.971 4.911 1.00 0.00 N ATOM 1941 CA LEU B 119 4.695 1.169 5.708 1.00 0.00 C ATOM 1942 C LEU B 119 4.702 -0.278 5.250 1.00 0.00 C ATOM 1943 O LEU B 119 4.466 -1.196 6.037 1.00 0.00 O ATOM 1944 CB LEU B 119 3.277 1.733 5.608 1.00 0.00 C ATOM 1945 CG LEU B 119 2.953 2.905 6.552 1.00 0.00 C ATOM 1946 CD1 LEU B 119 3.039 2.453 7.999 1.00 0.00 C ATOM 1947 CD2 LEU B 119 3.878 4.095 6.323 1.00 0.00 C ATOM 0 H LEU B 119 5.160 2.679 4.334 1.00 0.00 H new ATOM 0 HA LEU B 119 5.026 1.208 6.746 1.00 0.00 H new ATOM 0 HB2 LEU B 119 3.108 2.060 4.582 1.00 0.00 H new ATOM 0 HB3 LEU B 119 2.571 0.926 5.805 1.00 0.00 H new ATOM 0 HG LEU B 119 1.936 3.229 6.331 1.00 0.00 H new ATOM 0 HD11 LEU B 119 2.808 3.291 8.656 1.00 0.00 H new ATOM 0 HD12 LEU B 119 2.324 1.648 8.172 1.00 0.00 H new ATOM 0 HD13 LEU B 119 4.047 2.095 8.209 1.00 0.00 H new ATOM 0 HD21 LEU B 119 3.614 4.899 7.010 1.00 0.00 H new ATOM 0 HD22 LEU B 119 4.910 3.792 6.498 1.00 0.00 H new ATOM 0 HD23 LEU B 119 3.772 4.446 5.296 1.00 0.00 H new ATOM 1959 N ALA B 120 4.997 -0.469 3.979 1.00 0.00 N ATOM 1960 CA ALA B 120 5.017 -1.794 3.384 1.00 0.00 C ATOM 1961 C ALA B 120 6.270 -2.551 3.812 1.00 0.00 C ATOM 1962 O ALA B 120 6.251 -3.771 3.988 1.00 0.00 O ATOM 1963 CB ALA B 120 4.929 -1.670 1.875 1.00 0.00 C ATOM 0 H ALA B 120 5.229 0.284 3.331 1.00 0.00 H new ATOM 0 HA ALA B 120 4.157 -2.365 3.734 1.00 0.00 H new ATOM 0 HB1 ALA B 120 4.944 -2.663 1.427 1.00 0.00 H new ATOM 0 HB2 ALA B 120 4.002 -1.164 1.605 1.00 0.00 H new ATOM 0 HB3 ALA B 120 5.778 -1.093 1.507 1.00 0.00 H new ATOM 1969 N LEU B 121 7.360 -1.811 3.966 1.00 0.00 N ATOM 1970 CA LEU B 121 8.594 -2.345 4.527 1.00 0.00 C ATOM 1971 C LEU B 121 8.502 -2.428 6.042 1.00 0.00 C ATOM 1972 O LEU B 121 9.172 -3.240 6.678 1.00 0.00 O ATOM 1973 CB LEU B 121 9.761 -1.428 4.163 1.00 0.00 C ATOM 1974 CG LEU B 121 10.435 -1.685 2.820 1.00 0.00 C ATOM 1975 CD1 LEU B 121 9.428 -1.691 1.683 1.00 0.00 C ATOM 1976 CD2 LEU B 121 11.502 -0.630 2.584 1.00 0.00 C ATOM 0 H LEU B 121 7.414 -0.826 3.706 1.00 0.00 H new ATOM 0 HA LEU B 121 8.751 -3.343 4.118 1.00 0.00 H new ATOM 0 HB2 LEU B 121 9.402 -0.399 4.173 1.00 0.00 H new ATOM 0 HB3 LEU B 121 10.516 -1.510 4.945 1.00 0.00 H new ATOM 0 HG LEU B 121 10.897 -2.672 2.846 1.00 0.00 H new ATOM 0 HD11 LEU B 121 9.944 -1.877 0.741 1.00 0.00 H new ATOM 0 HD12 LEU B 121 8.691 -2.475 1.854 1.00 0.00 H new ATOM 0 HD13 LEU B 121 8.926 -0.725 1.637 1.00 0.00 H new ATOM 0 HD21 LEU B 121 11.986 -0.811 1.624 1.00 0.00 H new ATOM 0 HD22 LEU B 121 11.042 0.358 2.578 1.00 0.00 H new ATOM 0 HD23 LEU B 121 12.245 -0.679 3.380 1.00 0.00 H new ATOM 1988 N GLY B 122 7.654 -1.588 6.611 1.00 0.00 N ATOM 1989 CA GLY B 122 7.600 -1.447 8.045 1.00 0.00 C ATOM 1990 C GLY B 122 8.764 -0.630 8.557 1.00 0.00 C ATOM 1991 O GLY B 122 9.303 -0.894 9.634 1.00 0.00 O ATOM 0 H GLY B 122 6.998 -0.998 6.099 1.00 0.00 H new ATOM 0 HA2 GLY B 122 6.663 -0.969 8.331 1.00 0.00 H new ATOM 0 HA3 GLY B 122 7.611 -2.432 8.511 1.00 0.00 H new ATOM 1995 N LEU B 123 9.167 0.362 7.767 1.00 0.00 N ATOM 1996 CA LEU B 123 10.231 1.270 8.162 1.00 0.00 C ATOM 1997 C LEU B 123 9.691 2.222 9.207 1.00 0.00 C ATOM 1998 O LEU B 123 10.434 2.806 9.996 1.00 0.00 O ATOM 1999 CB LEU B 123 10.763 2.035 6.949 1.00 0.00 C ATOM 2000 CG LEU B 123 11.442 1.172 5.884 1.00 0.00 C ATOM 2001 CD1 LEU B 123 12.094 2.050 4.830 1.00 0.00 C ATOM 2002 CD2 LEU B 123 12.463 0.236 6.516 1.00 0.00 C ATOM 0 H LEU B 123 8.769 0.555 6.848 1.00 0.00 H new ATOM 0 HA LEU B 123 11.062 0.704 8.582 1.00 0.00 H new ATOM 0 HB2 LEU B 123 9.935 2.572 6.486 1.00 0.00 H new ATOM 0 HB3 LEU B 123 11.475 2.784 7.295 1.00 0.00 H new ATOM 0 HG LEU B 123 10.681 0.560 5.400 1.00 0.00 H new ATOM 0 HD11 LEU B 123 12.573 1.422 4.079 1.00 0.00 H new ATOM 0 HD12 LEU B 123 11.335 2.671 4.354 1.00 0.00 H new ATOM 0 HD13 LEU B 123 12.842 2.688 5.300 1.00 0.00 H new ATOM 0 HD21 LEU B 123 12.933 -0.368 5.739 1.00 0.00 H new ATOM 0 HD22 LEU B 123 13.224 0.822 7.030 1.00 0.00 H new ATOM 0 HD23 LEU B 123 11.964 -0.418 7.231 1.00 0.00 H new ATOM 2014 N VAL B 124 8.377 2.346 9.191 1.00 0.00 N ATOM 2015 CA VAL B 124 7.628 3.113 10.167 1.00 0.00 C ATOM 2016 C VAL B 124 6.294 2.431 10.402 1.00 0.00 C ATOM 2017 O VAL B 124 5.993 1.422 9.765 1.00 0.00 O ATOM 2018 CB VAL B 124 7.364 4.551 9.691 1.00 0.00 C ATOM 2019 CG1 VAL B 124 8.646 5.367 9.677 1.00 0.00 C ATOM 2020 CG2 VAL B 124 6.724 4.525 8.314 1.00 0.00 C ATOM 0 H VAL B 124 7.788 1.906 8.483 1.00 0.00 H new ATOM 0 HA VAL B 124 8.219 3.161 11.082 1.00 0.00 H new ATOM 0 HB VAL B 124 6.679 5.030 10.390 1.00 0.00 H new ATOM 0 HG11 VAL B 124 8.429 6.379 9.336 1.00 0.00 H new ATOM 0 HG12 VAL B 124 9.064 5.404 10.683 1.00 0.00 H new ATOM 0 HG13 VAL B 124 9.365 4.903 9.002 1.00 0.00 H new ATOM 0 HG21 VAL B 124 6.538 5.546 7.980 1.00 0.00 H new ATOM 0 HG22 VAL B 124 7.393 4.029 7.611 1.00 0.00 H new ATOM 0 HG23 VAL B 124 5.780 3.981 8.362 1.00 0.00 H new ATOM 2030 N ALA B 125 5.497 2.988 11.291 1.00 0.00 N ATOM 2031 CA ALA B 125 4.186 2.430 11.587 1.00 0.00 C ATOM 2032 C ALA B 125 3.085 3.412 11.213 1.00 0.00 C ATOM 2033 O ALA B 125 1.902 3.075 11.232 1.00 0.00 O ATOM 2034 CB ALA B 125 4.089 2.050 13.056 1.00 0.00 C ATOM 0 H ALA B 125 5.731 3.826 11.823 1.00 0.00 H new ATOM 0 HA ALA B 125 4.054 1.529 10.989 1.00 0.00 H new ATOM 0 HB1 ALA B 125 3.102 1.634 13.260 1.00 0.00 H new ATOM 0 HB2 ALA B 125 4.851 1.307 13.291 1.00 0.00 H new ATOM 0 HB3 ALA B 125 4.244 2.936 13.672 1.00 0.00 H new ATOM 2040 N GLU B 126 3.486 4.623 10.848 1.00 0.00 N ATOM 2041 CA GLU B 126 2.542 5.685 10.541 1.00 0.00 C ATOM 2042 C GLU B 126 3.230 6.781 9.744 1.00 0.00 C ATOM 2043 O GLU B 126 4.458 6.863 9.724 1.00 0.00 O ATOM 2044 CB GLU B 126 1.980 6.266 11.836 1.00 0.00 C ATOM 2045 CG GLU B 126 3.058 6.824 12.746 1.00 0.00 C ATOM 2046 CD GLU B 126 2.538 7.158 14.125 1.00 0.00 C ATOM 2047 OE1 GLU B 126 2.270 8.343 14.394 1.00 0.00 O ATOM 2048 OE2 GLU B 126 2.389 6.233 14.946 1.00 0.00 O ATOM 0 H GLU B 126 4.465 4.893 10.758 1.00 0.00 H new ATOM 0 HA GLU B 126 1.727 5.273 9.947 1.00 0.00 H new ATOM 0 HB2 GLU B 126 1.269 7.056 11.596 1.00 0.00 H new ATOM 0 HB3 GLU B 126 1.428 5.491 12.367 1.00 0.00 H new ATOM 0 HG2 GLU B 126 3.867 6.098 12.833 1.00 0.00 H new ATOM 0 HG3 GLU B 126 3.481 7.721 12.294 1.00 0.00 H new ATOM 2055 N ARG B 127 2.439 7.619 9.094 1.00 0.00 N ATOM 2056 CA ARG B 127 2.970 8.724 8.306 1.00 0.00 C ATOM 2057 C ARG B 127 3.382 9.894 9.193 1.00 0.00 C ATOM 2058 O ARG B 127 4.191 10.725 8.796 1.00 0.00 O ATOM 2059 CB ARG B 127 1.957 9.189 7.258 1.00 0.00 C ATOM 2060 CG ARG B 127 1.996 8.382 5.969 1.00 0.00 C ATOM 2061 CD ARG B 127 1.511 6.953 6.166 1.00 0.00 C ATOM 2062 NE ARG B 127 0.157 6.899 6.715 1.00 0.00 N ATOM 2063 CZ ARG B 127 -0.492 5.766 6.987 1.00 0.00 C ATOM 2064 NH1 ARG B 127 0.044 4.595 6.669 1.00 0.00 N ATOM 2065 NH2 ARG B 127 -1.693 5.807 7.546 1.00 0.00 N ATOM 0 H ARG B 127 1.421 7.556 9.096 1.00 0.00 H new ATOM 0 HA ARG B 127 3.858 8.356 7.792 1.00 0.00 H new ATOM 0 HB2 ARG B 127 0.955 9.130 7.683 1.00 0.00 H new ATOM 0 HB3 ARG B 127 2.143 10.237 7.026 1.00 0.00 H new ATOM 0 HG2 ARG B 127 1.378 8.873 5.217 1.00 0.00 H new ATOM 0 HG3 ARG B 127 3.015 8.367 5.583 1.00 0.00 H new ATOM 0 HD2 ARG B 127 1.535 6.428 5.211 1.00 0.00 H new ATOM 0 HD3 ARG B 127 2.193 6.429 6.835 1.00 0.00 H new ATOM 0 HE ARG B 127 -0.320 7.781 6.901 1.00 0.00 H new ATOM 0 HH11 ARG B 127 0.956 4.558 6.214 1.00 0.00 H new ATOM 0 HH12 ARG B 127 -0.456 3.731 6.879 1.00 0.00 H new ATOM 0 HH21 ARG B 127 -2.122 6.705 7.768 1.00 0.00 H new ATOM 0 HH22 ARG B 127 -2.189 4.940 7.754 1.00 0.00 H new ATOM 2079 N ARG B 128 2.828 9.951 10.396 1.00 0.00 N ATOM 2080 CA ARG B 128 3.083 11.069 11.311 1.00 0.00 C ATOM 2081 C ARG B 128 4.567 11.162 11.649 1.00 0.00 C ATOM 2082 O ARG B 128 5.096 12.243 11.916 1.00 0.00 O ATOM 2083 CB ARG B 128 2.306 10.899 12.616 1.00 0.00 C ATOM 2084 CG ARG B 128 0.857 10.479 12.443 1.00 0.00 C ATOM 2085 CD ARG B 128 0.161 10.386 13.787 1.00 0.00 C ATOM 2086 NE ARG B 128 -1.111 9.672 13.703 1.00 0.00 N ATOM 2087 CZ ARG B 128 -1.383 8.561 14.386 1.00 0.00 C ATOM 2088 NH1 ARG B 128 -0.453 7.988 15.144 1.00 0.00 N ATOM 2089 NH2 ARG B 128 -2.578 8.000 14.282 1.00 0.00 N ATOM 0 H ARG B 128 2.198 9.239 10.767 1.00 0.00 H new ATOM 0 HA ARG B 128 2.757 11.978 10.805 1.00 0.00 H new ATOM 0 HB2 ARG B 128 2.814 10.156 13.231 1.00 0.00 H new ATOM 0 HB3 ARG B 128 2.334 11.840 13.165 1.00 0.00 H new ATOM 0 HG2 ARG B 128 0.338 11.198 11.808 1.00 0.00 H new ATOM 0 HG3 ARG B 128 0.811 9.515 11.937 1.00 0.00 H new ATOM 0 HD2 ARG B 128 0.814 9.879 14.498 1.00 0.00 H new ATOM 0 HD3 ARG B 128 -0.013 11.390 14.174 1.00 0.00 H new ATOM 0 HE ARG B 128 -1.832 10.046 13.086 1.00 0.00 H new ATOM 0 HH11 ARG B 128 0.478 8.399 15.206 1.00 0.00 H new ATOM 0 HH12 ARG B 128 -0.671 7.138 15.663 1.00 0.00 H new ATOM 0 HH21 ARG B 128 -3.287 8.419 13.680 1.00 0.00 H new ATOM 0 HH22 ARG B 128 -2.789 7.149 14.804 1.00 0.00 H new ATOM 2103 N GLU B 129 5.226 10.017 11.629 1.00 0.00 N ATOM 2104 CA GLU B 129 6.614 9.915 12.038 1.00 0.00 C ATOM 2105 C GLU B 129 7.564 10.291 10.910 1.00 0.00 C ATOM 2106 O GLU B 129 8.773 10.384 11.116 1.00 0.00 O ATOM 2107 CB GLU B 129 6.893 8.496 12.517 1.00 0.00 C ATOM 2108 CG GLU B 129 6.061 8.106 13.727 1.00 0.00 C ATOM 2109 CD GLU B 129 6.319 8.998 14.927 1.00 0.00 C ATOM 2110 OE1 GLU B 129 7.155 8.632 15.778 1.00 0.00 O ATOM 2111 OE2 GLU B 129 5.690 10.072 15.018 1.00 0.00 O ATOM 0 H GLU B 129 4.814 9.133 11.329 1.00 0.00 H new ATOM 0 HA GLU B 129 6.786 10.620 12.851 1.00 0.00 H new ATOM 0 HB2 GLU B 129 6.693 7.798 11.704 1.00 0.00 H new ATOM 0 HB3 GLU B 129 7.950 8.403 12.764 1.00 0.00 H new ATOM 0 HG2 GLU B 129 5.004 8.152 13.466 1.00 0.00 H new ATOM 0 HG3 GLU B 129 6.279 7.072 13.995 1.00 0.00 H new ATOM 2118 N LEU B 130 7.019 10.497 9.719 1.00 0.00 N ATOM 2119 CA LEU B 130 7.843 10.851 8.571 1.00 0.00 C ATOM 2120 C LEU B 130 7.950 12.372 8.457 1.00 0.00 C ATOM 2121 O LEU B 130 8.766 12.895 7.699 1.00 0.00 O ATOM 2122 CB LEU B 130 7.275 10.275 7.265 1.00 0.00 C ATOM 2123 CG LEU B 130 6.269 9.122 7.393 1.00 0.00 C ATOM 2124 CD1 LEU B 130 5.746 8.738 6.023 1.00 0.00 C ATOM 2125 CD2 LEU B 130 6.870 7.900 8.071 1.00 0.00 C ATOM 0 H LEU B 130 6.021 10.426 9.523 1.00 0.00 H new ATOM 0 HA LEU B 130 8.832 10.420 8.727 1.00 0.00 H new ATOM 0 HB2 LEU B 130 6.794 11.086 6.718 1.00 0.00 H new ATOM 0 HB3 LEU B 130 8.110 9.930 6.655 1.00 0.00 H new ATOM 0 HG LEU B 130 5.451 9.476 8.021 1.00 0.00 H new ATOM 0 HD11 LEU B 130 5.033 7.920 6.122 1.00 0.00 H new ATOM 0 HD12 LEU B 130 5.252 9.597 5.568 1.00 0.00 H new ATOM 0 HD13 LEU B 130 6.577 8.421 5.392 1.00 0.00 H new ATOM 0 HD21 LEU B 130 6.118 7.114 8.137 1.00 0.00 H new ATOM 0 HD22 LEU B 130 7.719 7.542 7.489 1.00 0.00 H new ATOM 0 HD23 LEU B 130 7.204 8.168 9.074 1.00 0.00 H new ATOM 2137 N TYR B 131 7.118 13.073 9.221 1.00 0.00 N ATOM 2138 CA TYR B 131 7.122 14.534 9.232 1.00 0.00 C ATOM 2139 C TYR B 131 7.348 15.024 10.653 1.00 0.00 C ATOM 2140 O TYR B 131 6.414 15.447 11.336 1.00 0.00 O ATOM 2141 CB TYR B 131 5.794 15.096 8.722 1.00 0.00 C ATOM 2142 CG TYR B 131 5.284 14.449 7.453 1.00 0.00 C ATOM 2143 CD1 TYR B 131 5.743 14.849 6.205 1.00 0.00 C ATOM 2144 CD2 TYR B 131 4.328 13.443 7.510 1.00 0.00 C ATOM 2145 CE1 TYR B 131 5.266 14.259 5.050 1.00 0.00 C ATOM 2146 CE2 TYR B 131 3.849 12.847 6.363 1.00 0.00 C ATOM 2147 CZ TYR B 131 4.318 13.260 5.133 1.00 0.00 C ATOM 2148 OH TYR B 131 3.841 12.667 3.984 1.00 0.00 O ATOM 0 H TYR B 131 6.429 12.651 9.844 1.00 0.00 H new ATOM 0 HA TYR B 131 7.921 14.877 8.575 1.00 0.00 H new ATOM 0 HB2 TYR B 131 5.041 14.979 9.502 1.00 0.00 H new ATOM 0 HB3 TYR B 131 5.910 16.166 8.548 1.00 0.00 H new ATOM 0 HD1 TYR B 131 6.483 15.632 6.136 1.00 0.00 H new ATOM 0 HD2 TYR B 131 3.953 13.122 8.471 1.00 0.00 H new ATOM 0 HE1 TYR B 131 5.634 14.579 4.086 1.00 0.00 H new ATOM 0 HE2 TYR B 131 3.111 12.061 6.427 1.00 0.00 H new ATOM 0 HH TYR B 131 3.180 11.982 4.219 1.00 0.00 H new