USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 551 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 16 ASN : amide:sc= -3.49! C(o=-2.6!,f=-5.9!) USER MOD Set 1.2: B 77 LYS NZ :NH3+ 163:sc= 0.867 (180deg=-0.0583) USER MOD Set 2.1: B 9 LYS NZ :NH3+ -139:sc= 0.843 (180deg=-0.166) USER MOD Set 2.2: B 55 THR OG1 : rot 180:sc= 0.746 USER MOD Single : B 17 THR OG1 : rot 91:sc= 1.23 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 ASN : amide:sc= -0.0813 X(o=-0.081,f=-0.081) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0036) USER MOD Single : B 31 TYR OH : rot 160:sc= -0.808 USER MOD Single : B 40 MET CE :methyl -131:sc= -0.205 (180deg=-2.08!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 SER OG : rot 180:sc=-0.00265 USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 MET CE :methyl -146:sc= -2.04 (180deg=-3!) USER MOD Single : B 70 ASN : amide:sc= 0.447 K(o=0.45,f=-3.7!) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 SER OG : rot 180:sc= -0.0269 USER MOD Single : B 80 LYS NZ :NH3+ 144:sc= 1.23 (180deg=0.316) USER MOD Single : B 83 GLN : amide:sc=-0.00295 X(o=-0.0029,f=-0.41) USER MOD Single : B 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N GLY B 8 2.166 -2.496 -18.785 1.00 0.00 N ATOM 112 CA GLY B 8 3.300 -3.030 -19.510 1.00 0.00 C ATOM 113 C GLY B 8 4.436 -3.365 -18.564 1.00 0.00 C ATOM 114 O GLY B 8 5.349 -4.085 -18.959 1.00 0.00 O ATOM 0 HA2 GLY B 8 3.000 -3.925 -20.056 1.00 0.00 H new ATOM 0 HA3 GLY B 8 3.639 -2.304 -20.249 1.00 0.00 H new ATOM 118 N LYS B 9 4.399 -2.864 -17.322 1.00 0.00 N ATOM 119 CA LYS B 9 5.445 -3.181 -16.371 1.00 0.00 C ATOM 120 C LYS B 9 4.966 -4.299 -15.462 1.00 0.00 C ATOM 121 O LYS B 9 3.889 -4.209 -14.877 1.00 0.00 O ATOM 122 CB LYS B 9 5.891 -1.958 -15.577 1.00 0.00 C ATOM 123 CG LYS B 9 7.048 -2.413 -14.679 1.00 0.00 C ATOM 124 CD LYS B 9 7.657 -1.254 -13.889 1.00 0.00 C ATOM 125 CE LYS B 9 8.340 -0.252 -14.821 1.00 0.00 C ATOM 126 NZ LYS B 9 9.524 -0.833 -15.490 1.00 0.00 N ATOM 0 H LYS B 9 3.666 -2.250 -16.967 1.00 0.00 H new ATOM 0 HA LYS B 9 6.326 -3.517 -16.918 1.00 0.00 H new ATOM 0 HB2 LYS B 9 6.211 -1.159 -16.245 1.00 0.00 H new ATOM 0 HB3 LYS B 9 5.069 -1.564 -14.979 1.00 0.00 H new ATOM 0 HG2 LYS B 9 6.690 -3.174 -13.986 1.00 0.00 H new ATOM 0 HG3 LYS B 9 7.820 -2.878 -15.292 1.00 0.00 H new ATOM 0 HD2 LYS B 9 6.878 -0.751 -13.317 1.00 0.00 H new ATOM 0 HD3 LYS B 9 8.381 -1.640 -13.171 1.00 0.00 H new ATOM 0 HE2 LYS B 9 7.628 0.086 -15.574 1.00 0.00 H new ATOM 0 HE3 LYS B 9 8.641 0.626 -14.250 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 10.290 -0.130 -15.512 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 9.841 -1.674 -14.967 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 9.275 -1.104 -16.463 1.00 0.00 H new ATOM 140 N LEU B 10 5.770 -5.350 -15.344 1.00 0.00 N ATOM 141 CA LEU B 10 5.410 -6.505 -14.547 1.00 0.00 C ATOM 142 C LEU B 10 6.334 -6.618 -13.347 1.00 0.00 C ATOM 143 O LEU B 10 7.471 -6.153 -13.382 1.00 0.00 O ATOM 144 CB LEU B 10 5.504 -7.753 -15.420 1.00 0.00 C ATOM 145 CG LEU B 10 4.489 -7.811 -16.562 1.00 0.00 C ATOM 146 CD1 LEU B 10 4.719 -9.129 -17.297 1.00 0.00 C ATOM 147 CD2 LEU B 10 3.046 -7.788 -16.061 1.00 0.00 C ATOM 0 H LEU B 10 6.682 -5.420 -15.796 1.00 0.00 H new ATOM 0 HA LEU B 10 4.390 -6.399 -14.178 1.00 0.00 H new ATOM 0 HB2 LEU B 10 6.508 -7.811 -15.841 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.372 -8.632 -14.789 1.00 0.00 H new ATOM 0 HG LEU B 10 4.629 -6.939 -17.201 1.00 0.00 H new ATOM 0 HD11 LEU B 10 4.013 -9.213 -18.123 1.00 0.00 H new ATOM 0 HD12 LEU B 10 5.737 -9.156 -17.685 1.00 0.00 H new ATOM 0 HD13 LEU B 10 4.571 -9.960 -16.608 1.00 0.00 H new ATOM 0 HD21 LEU B 10 2.365 -7.831 -16.911 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.872 -8.647 -15.413 1.00 0.00 H new ATOM 0 HD23 LEU B 10 2.870 -6.870 -15.501 1.00 0.00 H new ATOM 159 N PHE B 11 5.829 -7.246 -12.287 1.00 0.00 N ATOM 160 CA PHE B 11 6.589 -7.592 -11.104 1.00 0.00 C ATOM 161 C PHE B 11 6.786 -9.099 -11.113 1.00 0.00 C ATOM 162 O PHE B 11 5.821 -9.843 -11.272 1.00 0.00 O ATOM 163 CB PHE B 11 5.827 -7.157 -9.854 1.00 0.00 C ATOM 164 CG PHE B 11 6.425 -7.732 -8.593 1.00 0.00 C ATOM 165 CD1 PHE B 11 7.623 -7.207 -8.092 1.00 0.00 C ATOM 166 CD2 PHE B 11 5.793 -8.794 -7.930 1.00 0.00 C ATOM 167 CE1 PHE B 11 8.183 -7.736 -6.924 1.00 0.00 C ATOM 168 CE2 PHE B 11 6.362 -9.328 -6.764 1.00 0.00 C ATOM 169 CZ PHE B 11 7.557 -8.795 -6.262 1.00 0.00 C ATOM 0 H PHE B 11 4.852 -7.533 -12.233 1.00 0.00 H new ATOM 0 HA PHE B 11 7.555 -7.087 -11.099 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.827 -6.069 -9.791 1.00 0.00 H new ATOM 0 HB3 PHE B 11 4.787 -7.471 -9.937 1.00 0.00 H new ATOM 0 HD1 PHE B 11 8.114 -6.395 -8.607 1.00 0.00 H new ATOM 0 HD2 PHE B 11 4.870 -9.200 -8.316 1.00 0.00 H new ATOM 0 HE1 PHE B 11 9.102 -7.324 -6.533 1.00 0.00 H new ATOM 0 HE2 PHE B 11 5.880 -10.149 -6.254 1.00 0.00 H new ATOM 0 HZ PHE B 11 7.994 -9.203 -5.363 1.00 0.00 H new ATOM 179 N ILE B 12 8.031 -9.545 -10.950 1.00 0.00 N ATOM 180 CA ILE B 12 8.378 -10.948 -11.059 1.00 0.00 C ATOM 181 C ILE B 12 9.001 -11.418 -9.744 1.00 0.00 C ATOM 182 O ILE B 12 10.221 -11.507 -9.634 1.00 0.00 O ATOM 183 CB ILE B 12 9.339 -11.164 -12.239 1.00 0.00 C ATOM 184 CG1 ILE B 12 9.066 -10.315 -13.490 1.00 0.00 C ATOM 185 CG2 ILE B 12 9.309 -12.643 -12.615 1.00 0.00 C ATOM 186 CD1 ILE B 12 7.692 -10.508 -14.127 1.00 0.00 C ATOM 0 H ILE B 12 8.823 -8.938 -10.739 1.00 0.00 H new ATOM 0 HA ILE B 12 7.480 -11.537 -11.249 1.00 0.00 H new ATOM 0 HB ILE B 12 10.318 -10.836 -11.890 1.00 0.00 H new ATOM 0 HG12 ILE B 12 9.181 -9.264 -13.227 1.00 0.00 H new ATOM 0 HG13 ILE B 12 9.828 -10.542 -14.235 1.00 0.00 H new ATOM 0 HG21 ILE B 12 9.985 -12.819 -13.452 1.00 0.00 H new ATOM 0 HG22 ILE B 12 9.625 -13.242 -11.761 1.00 0.00 H new ATOM 0 HG23 ILE B 12 8.296 -12.925 -12.901 1.00 0.00 H new ATOM 0 HD11 ILE B 12 7.603 -9.863 -15.001 1.00 0.00 H new ATOM 0 HD12 ILE B 12 7.574 -11.548 -14.430 1.00 0.00 H new ATOM 0 HD13 ILE B 12 6.917 -10.250 -13.405 1.00 0.00 H new ATOM 198 N GLY B 13 8.174 -11.718 -8.737 1.00 0.00 N ATOM 199 CA GLY B 13 8.688 -12.085 -7.425 1.00 0.00 C ATOM 200 C GLY B 13 8.811 -13.597 -7.255 1.00 0.00 C ATOM 201 O GLY B 13 7.977 -14.336 -7.766 1.00 0.00 O ATOM 0 H GLY B 13 7.157 -11.713 -8.809 1.00 0.00 H new ATOM 0 HA2 GLY B 13 9.665 -11.624 -7.278 1.00 0.00 H new ATOM 0 HA3 GLY B 13 8.028 -11.687 -6.654 1.00 0.00 H new ATOM 205 N GLY B 14 9.841 -14.060 -6.542 1.00 0.00 N ATOM 206 CA GLY B 14 9.995 -15.469 -6.192 1.00 0.00 C ATOM 207 C GLY B 14 11.020 -16.157 -7.086 1.00 0.00 C ATOM 208 O GLY B 14 11.142 -17.380 -7.071 1.00 0.00 O ATOM 0 H GLY B 14 10.592 -13.465 -6.192 1.00 0.00 H new ATOM 0 HA2 GLY B 14 10.303 -15.555 -5.150 1.00 0.00 H new ATOM 0 HA3 GLY B 14 9.034 -15.975 -6.283 1.00 0.00 H new ATOM 212 N LEU B 15 11.764 -15.373 -7.869 1.00 0.00 N ATOM 213 CA LEU B 15 12.729 -15.892 -8.821 1.00 0.00 C ATOM 214 C LEU B 15 13.910 -16.569 -8.130 1.00 0.00 C ATOM 215 O LEU B 15 14.155 -16.365 -6.943 1.00 0.00 O ATOM 216 CB LEU B 15 13.257 -14.746 -9.680 1.00 0.00 C ATOM 217 CG LEU B 15 12.195 -14.097 -10.560 1.00 0.00 C ATOM 218 CD1 LEU B 15 12.720 -12.756 -11.054 1.00 0.00 C ATOM 219 CD2 LEU B 15 11.962 -14.992 -11.770 1.00 0.00 C ATOM 0 H LEU B 15 11.708 -14.355 -7.855 1.00 0.00 H new ATOM 0 HA LEU B 15 12.220 -16.637 -9.432 1.00 0.00 H new ATOM 0 HB2 LEU B 15 13.690 -13.986 -9.029 1.00 0.00 H new ATOM 0 HB3 LEU B 15 14.062 -15.120 -10.313 1.00 0.00 H new ATOM 0 HG LEU B 15 11.272 -13.959 -9.997 1.00 0.00 H new ATOM 0 HD11 LEU B 15 11.969 -12.281 -11.685 1.00 0.00 H new ATOM 0 HD12 LEU B 15 12.936 -12.113 -10.201 1.00 0.00 H new ATOM 0 HD13 LEU B 15 13.632 -12.912 -11.630 1.00 0.00 H new ATOM 0 HD21 LEU B 15 11.204 -14.544 -12.413 1.00 0.00 H new ATOM 0 HD22 LEU B 15 12.893 -15.100 -12.327 1.00 0.00 H new ATOM 0 HD23 LEU B 15 11.622 -15.973 -11.437 1.00 0.00 H new ATOM 231 N ASN B 16 14.642 -17.377 -8.898 1.00 0.00 N ATOM 232 CA ASN B 16 15.835 -18.049 -8.432 1.00 0.00 C ATOM 233 C ASN B 16 17.016 -17.081 -8.358 1.00 0.00 C ATOM 234 O ASN B 16 17.044 -16.073 -9.063 1.00 0.00 O ATOM 235 CB ASN B 16 16.102 -19.200 -9.387 1.00 0.00 C ATOM 236 CG ASN B 16 17.055 -20.226 -8.822 1.00 0.00 C ATOM 237 OD1 ASN B 16 17.412 -20.211 -7.650 1.00 0.00 O ATOM 238 ND2 ASN B 16 17.464 -21.134 -9.690 1.00 0.00 N ATOM 0 H ASN B 16 14.413 -17.579 -9.871 1.00 0.00 H new ATOM 0 HA ASN B 16 15.697 -18.430 -7.420 1.00 0.00 H new ATOM 0 HB2 ASN B 16 15.158 -19.686 -9.634 1.00 0.00 H new ATOM 0 HB3 ASN B 16 16.511 -18.806 -10.317 1.00 0.00 H new ATOM 0 HD21 ASN B 16 18.108 -21.868 -9.395 1.00 0.00 H new ATOM 0 HD22 ASN B 16 17.136 -21.101 -10.655 1.00 0.00 H new ATOM 245 N THR B 17 17.998 -17.384 -7.504 1.00 0.00 N ATOM 246 CA THR B 17 19.233 -16.618 -7.392 1.00 0.00 C ATOM 247 C THR B 17 20.083 -16.798 -8.647 1.00 0.00 C ATOM 248 O THR B 17 21.073 -16.094 -8.842 1.00 0.00 O ATOM 249 CB THR B 17 20.024 -17.102 -6.175 1.00 0.00 C ATOM 250 OG1 THR B 17 20.358 -18.463 -6.318 1.00 0.00 O ATOM 251 CG2 THR B 17 19.190 -16.974 -4.907 1.00 0.00 C ATOM 0 H THR B 17 17.953 -18.178 -6.866 1.00 0.00 H new ATOM 0 HA THR B 17 18.984 -15.563 -7.278 1.00 0.00 H new ATOM 0 HB THR B 17 20.922 -16.488 -6.105 1.00 0.00 H new ATOM 0 HG1 THR B 17 21.231 -18.541 -6.757 1.00 0.00 H new ATOM 0 HG21 THR B 17 19.770 -17.323 -4.053 1.00 0.00 H new ATOM 0 HG22 THR B 17 18.915 -15.930 -4.756 1.00 0.00 H new ATOM 0 HG23 THR B 17 18.287 -17.577 -5.003 1.00 0.00 H new ATOM 259 N GLU B 18 19.685 -17.750 -9.491 1.00 0.00 N ATOM 260 CA GLU B 18 20.409 -18.162 -10.677 1.00 0.00 C ATOM 261 C GLU B 18 19.836 -17.473 -11.914 1.00 0.00 C ATOM 262 O GLU B 18 20.433 -17.526 -12.990 1.00 0.00 O ATOM 263 CB GLU B 18 20.294 -19.681 -10.800 1.00 0.00 C ATOM 264 CG GLU B 18 20.473 -20.375 -9.444 1.00 0.00 C ATOM 265 CD GLU B 18 21.881 -20.168 -8.890 1.00 0.00 C ATOM 266 OE1 GLU B 18 22.091 -19.151 -8.191 1.00 0.00 O ATOM 267 OE2 GLU B 18 22.744 -21.032 -9.168 1.00 0.00 O ATOM 0 H GLU B 18 18.818 -18.269 -9.356 1.00 0.00 H new ATOM 0 HA GLU B 18 21.458 -17.876 -10.598 1.00 0.00 H new ATOM 0 HB2 GLU B 18 19.320 -19.940 -11.216 1.00 0.00 H new ATOM 0 HB3 GLU B 18 21.046 -20.048 -11.499 1.00 0.00 H new ATOM 0 HG2 GLU B 18 19.742 -19.986 -8.736 1.00 0.00 H new ATOM 0 HG3 GLU B 18 20.276 -21.442 -9.551 1.00 0.00 H new ATOM 274 N THR B 19 18.677 -16.830 -11.756 1.00 0.00 N ATOM 275 CA THR B 19 18.024 -16.090 -12.822 1.00 0.00 C ATOM 276 C THR B 19 18.661 -14.715 -12.944 1.00 0.00 C ATOM 277 O THR B 19 19.057 -14.118 -11.945 1.00 0.00 O ATOM 278 CB THR B 19 16.526 -15.958 -12.532 1.00 0.00 C ATOM 279 OG1 THR B 19 15.971 -17.236 -12.306 1.00 0.00 O ATOM 280 CG2 THR B 19 15.801 -15.319 -13.711 1.00 0.00 C ATOM 0 H THR B 19 18.166 -16.812 -10.874 1.00 0.00 H new ATOM 0 HA THR B 19 18.146 -16.627 -13.763 1.00 0.00 H new ATOM 0 HB THR B 19 16.406 -15.329 -11.650 1.00 0.00 H new ATOM 0 HG1 THR B 19 15.013 -17.148 -12.119 1.00 0.00 H new ATOM 0 HG21 THR B 19 14.738 -15.235 -13.483 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.212 -14.326 -13.896 1.00 0.00 H new ATOM 0 HG23 THR B 19 15.934 -15.938 -14.598 1.00 0.00 H new ATOM 288 N ASN B 20 18.758 -14.211 -14.175 1.00 0.00 N ATOM 289 CA ASN B 20 19.279 -12.882 -14.431 1.00 0.00 C ATOM 290 C ASN B 20 18.436 -12.202 -15.502 1.00 0.00 C ATOM 291 O ASN B 20 17.345 -12.652 -15.838 1.00 0.00 O ATOM 292 CB ASN B 20 20.742 -12.922 -14.866 1.00 0.00 C ATOM 293 CG ASN B 20 21.473 -14.173 -14.422 1.00 0.00 C ATOM 294 OD1 ASN B 20 22.027 -14.240 -13.329 1.00 0.00 O ATOM 295 ND2 ASN B 20 21.479 -15.184 -15.287 1.00 0.00 N ATOM 0 H ASN B 20 18.477 -14.716 -15.015 1.00 0.00 H new ATOM 0 HA ASN B 20 19.227 -12.314 -13.502 1.00 0.00 H new ATOM 0 HB2 ASN B 20 20.791 -12.849 -15.952 1.00 0.00 H new ATOM 0 HB3 ASN B 20 21.256 -12.049 -14.464 1.00 0.00 H new ATOM 0 HD21 ASN B 20 21.956 -16.054 -15.051 1.00 0.00 H new ATOM 0 HD22 ASN B 20 21.007 -15.089 -16.186 1.00 0.00 H new ATOM 302 N GLU B 21 18.968 -11.108 -16.036 1.00 0.00 N ATOM 303 CA GLU B 21 18.256 -10.247 -16.959 1.00 0.00 C ATOM 304 C GLU B 21 18.070 -10.931 -18.303 1.00 0.00 C ATOM 305 O GLU B 21 17.022 -10.802 -18.925 1.00 0.00 O ATOM 306 CB GLU B 21 19.039 -8.938 -17.113 1.00 0.00 C ATOM 307 CG GLU B 21 19.324 -8.347 -15.730 1.00 0.00 C ATOM 308 CD GLU B 21 20.593 -8.888 -15.064 1.00 0.00 C ATOM 309 OE1 GLU B 21 21.297 -9.711 -15.694 1.00 0.00 O ATOM 310 OE2 GLU B 21 20.855 -8.469 -13.913 1.00 0.00 O ATOM 0 H GLU B 21 19.918 -10.795 -15.834 1.00 0.00 H new ATOM 0 HA GLU B 21 17.262 -10.032 -16.566 1.00 0.00 H new ATOM 0 HB2 GLU B 21 19.975 -9.122 -17.641 1.00 0.00 H new ATOM 0 HB3 GLU B 21 18.468 -8.229 -17.712 1.00 0.00 H new ATOM 0 HG2 GLU B 21 19.408 -7.264 -15.821 1.00 0.00 H new ATOM 0 HG3 GLU B 21 18.473 -8.547 -15.080 1.00 0.00 H new ATOM 317 N LYS B 22 19.087 -11.668 -18.757 1.00 0.00 N ATOM 318 CA LYS B 22 19.036 -12.338 -20.048 1.00 0.00 C ATOM 319 C LYS B 22 18.024 -13.479 -20.046 1.00 0.00 C ATOM 320 O LYS B 22 17.492 -13.848 -21.090 1.00 0.00 O ATOM 321 CB LYS B 22 20.443 -12.848 -20.376 1.00 0.00 C ATOM 322 CG LYS B 22 20.497 -13.628 -21.692 1.00 0.00 C ATOM 323 CD LYS B 22 19.861 -12.835 -22.836 1.00 0.00 C ATOM 324 CE LYS B 22 20.046 -13.594 -24.149 1.00 0.00 C ATOM 325 NZ LYS B 22 19.455 -12.852 -25.279 1.00 0.00 N ATOM 0 H LYS B 22 19.956 -11.813 -18.244 1.00 0.00 H new ATOM 0 HA LYS B 22 18.707 -11.634 -20.813 1.00 0.00 H new ATOM 0 HB2 LYS B 22 21.128 -12.002 -20.432 1.00 0.00 H new ATOM 0 HB3 LYS B 22 20.791 -13.487 -19.565 1.00 0.00 H new ATOM 0 HG2 LYS B 22 21.534 -13.858 -21.939 1.00 0.00 H new ATOM 0 HG3 LYS B 22 19.979 -14.580 -21.574 1.00 0.00 H new ATOM 0 HD2 LYS B 22 18.800 -12.681 -22.640 1.00 0.00 H new ATOM 0 HD3 LYS B 22 20.319 -11.848 -22.907 1.00 0.00 H new ATOM 0 HE2 LYS B 22 21.108 -13.756 -24.332 1.00 0.00 H new ATOM 0 HE3 LYS B 22 19.582 -14.577 -24.073 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 19.595 -13.390 -26.158 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 18.437 -12.719 -25.112 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 19.916 -11.924 -25.364 1.00 0.00 H new ATOM 339 N ALA B 23 17.749 -14.049 -18.873 1.00 0.00 N ATOM 340 CA ALA B 23 16.866 -15.195 -18.781 1.00 0.00 C ATOM 341 C ALA B 23 15.442 -14.679 -18.663 1.00 0.00 C ATOM 342 O ALA B 23 14.479 -15.389 -18.934 1.00 0.00 O ATOM 343 CB ALA B 23 17.255 -16.041 -17.568 1.00 0.00 C ATOM 0 H ALA B 23 18.127 -13.732 -17.980 1.00 0.00 H new ATOM 0 HA ALA B 23 16.947 -15.827 -19.665 1.00 0.00 H new ATOM 0 HB1 ALA B 23 16.592 -16.903 -17.498 1.00 0.00 H new ATOM 0 HB2 ALA B 23 18.284 -16.383 -17.678 1.00 0.00 H new ATOM 0 HB3 ALA B 23 17.167 -15.441 -16.662 1.00 0.00 H new ATOM 349 N LEU B 24 15.333 -13.419 -18.252 1.00 0.00 N ATOM 350 CA LEU B 24 14.081 -12.761 -18.005 1.00 0.00 C ATOM 351 C LEU B 24 13.603 -12.079 -19.274 1.00 0.00 C ATOM 352 O LEU B 24 12.403 -11.920 -19.480 1.00 0.00 O ATOM 353 CB LEU B 24 14.354 -11.772 -16.877 1.00 0.00 C ATOM 354 CG LEU B 24 14.059 -12.411 -15.525 1.00 0.00 C ATOM 355 CD1 LEU B 24 14.517 -11.506 -14.392 1.00 0.00 C ATOM 356 CD2 LEU B 24 12.562 -12.643 -15.377 1.00 0.00 C ATOM 0 H LEU B 24 16.143 -12.823 -18.081 1.00 0.00 H new ATOM 0 HA LEU B 24 13.288 -13.450 -17.716 1.00 0.00 H new ATOM 0 HB2 LEU B 24 15.394 -11.447 -16.913 1.00 0.00 H new ATOM 0 HB3 LEU B 24 13.738 -10.883 -17.008 1.00 0.00 H new ATOM 0 HG LEU B 24 14.596 -13.358 -15.476 1.00 0.00 H new ATOM 0 HD11 LEU B 24 14.297 -11.981 -13.436 1.00 0.00 H new ATOM 0 HD12 LEU B 24 15.590 -11.335 -14.474 1.00 0.00 H new ATOM 0 HD13 LEU B 24 13.992 -10.553 -14.453 1.00 0.00 H new ATOM 0 HD21 LEU B 24 12.359 -13.100 -14.409 1.00 0.00 H new ATOM 0 HD22 LEU B 24 12.038 -11.690 -15.446 1.00 0.00 H new ATOM 0 HD23 LEU B 24 12.216 -13.306 -16.170 1.00 0.00 H new ATOM 368 N GLU B 25 14.534 -11.675 -20.137 1.00 0.00 N ATOM 369 CA GLU B 25 14.156 -11.177 -21.447 1.00 0.00 C ATOM 370 C GLU B 25 13.821 -12.344 -22.365 1.00 0.00 C ATOM 371 O GLU B 25 13.046 -12.209 -23.307 1.00 0.00 O ATOM 372 CB GLU B 25 15.313 -10.404 -22.074 1.00 0.00 C ATOM 373 CG GLU B 25 15.535 -9.112 -21.311 1.00 0.00 C ATOM 374 CD GLU B 25 16.567 -8.225 -21.999 1.00 0.00 C ATOM 375 OE1 GLU B 25 17.772 -8.562 -21.918 1.00 0.00 O ATOM 376 OE2 GLU B 25 16.148 -7.212 -22.604 1.00 0.00 O ATOM 0 H GLU B 25 15.537 -11.684 -19.952 1.00 0.00 H new ATOM 0 HA GLU B 25 13.292 -10.524 -21.326 1.00 0.00 H new ATOM 0 HB2 GLU B 25 16.220 -11.009 -22.056 1.00 0.00 H new ATOM 0 HB3 GLU B 25 15.095 -10.188 -23.120 1.00 0.00 H new ATOM 0 HG2 GLU B 25 14.591 -8.573 -21.224 1.00 0.00 H new ATOM 0 HG3 GLU B 25 15.867 -9.339 -20.298 1.00 0.00 H new ATOM 383 N ALA B 26 14.423 -13.493 -22.069 1.00 0.00 N ATOM 384 CA ALA B 26 14.294 -14.692 -22.876 1.00 0.00 C ATOM 385 C ALA B 26 13.008 -15.441 -22.554 1.00 0.00 C ATOM 386 O ALA B 26 12.510 -16.195 -23.387 1.00 0.00 O ATOM 387 CB ALA B 26 15.491 -15.580 -22.573 1.00 0.00 C ATOM 0 H ALA B 26 15.020 -13.614 -21.251 1.00 0.00 H new ATOM 0 HA ALA B 26 14.260 -14.420 -23.931 1.00 0.00 H new ATOM 0 HB1 ALA B 26 15.426 -16.493 -23.165 1.00 0.00 H new ATOM 0 HB2 ALA B 26 16.410 -15.050 -22.824 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.496 -15.834 -21.513 1.00 0.00 H new ATOM 393 N VAL B 27 12.474 -15.234 -21.347 1.00 0.00 N ATOM 394 CA VAL B 27 11.298 -15.949 -20.877 1.00 0.00 C ATOM 395 C VAL B 27 10.029 -15.114 -20.963 1.00 0.00 C ATOM 396 O VAL B 27 8.952 -15.628 -21.257 1.00 0.00 O ATOM 397 CB VAL B 27 11.578 -16.384 -19.451 1.00 0.00 C ATOM 398 CG1 VAL B 27 11.466 -15.236 -18.466 1.00 0.00 C ATOM 399 CG2 VAL B 27 10.632 -17.486 -19.014 1.00 0.00 C ATOM 0 H VAL B 27 12.849 -14.566 -20.674 1.00 0.00 H new ATOM 0 HA VAL B 27 11.116 -16.811 -21.518 1.00 0.00 H new ATOM 0 HB VAL B 27 12.604 -16.753 -19.448 1.00 0.00 H new ATOM 0 HG11 VAL B 27 11.675 -15.598 -17.460 1.00 0.00 H new ATOM 0 HG12 VAL B 27 12.185 -14.460 -18.729 1.00 0.00 H new ATOM 0 HG13 VAL B 27 10.458 -14.824 -18.501 1.00 0.00 H new ATOM 0 HG21 VAL B 27 10.859 -17.775 -17.988 1.00 0.00 H new ATOM 0 HG22 VAL B 27 9.604 -17.127 -19.071 1.00 0.00 H new ATOM 0 HG23 VAL B 27 10.752 -18.349 -19.669 1.00 0.00 H new ATOM 409 N PHE B 28 10.148 -13.813 -20.707 1.00 0.00 N ATOM 410 CA PHE B 28 9.017 -12.916 -20.857 1.00 0.00 C ATOM 411 C PHE B 28 8.964 -12.337 -22.265 1.00 0.00 C ATOM 412 O PHE B 28 7.962 -11.736 -22.646 1.00 0.00 O ATOM 413 CB PHE B 28 9.046 -11.832 -19.785 1.00 0.00 C ATOM 414 CG PHE B 28 8.737 -12.363 -18.407 1.00 0.00 C ATOM 415 CD1 PHE B 28 7.403 -12.545 -18.013 1.00 0.00 C ATOM 416 CD2 PHE B 28 9.775 -12.692 -17.529 1.00 0.00 C ATOM 417 CE1 PHE B 28 7.108 -13.063 -16.745 1.00 0.00 C ATOM 418 CE2 PHE B 28 9.482 -13.220 -16.268 1.00 0.00 C ATOM 419 CZ PHE B 28 8.150 -13.399 -15.874 1.00 0.00 C ATOM 0 H PHE B 28 11.010 -13.365 -20.398 1.00 0.00 H new ATOM 0 HA PHE B 28 8.098 -13.485 -20.715 1.00 0.00 H new ATOM 0 HB2 PHE B 28 10.030 -11.363 -19.776 1.00 0.00 H new ATOM 0 HB3 PHE B 28 8.325 -11.056 -20.040 1.00 0.00 H new ATOM 0 HD1 PHE B 28 6.601 -12.285 -18.689 1.00 0.00 H new ATOM 0 HD2 PHE B 28 10.802 -12.538 -17.825 1.00 0.00 H new ATOM 0 HE1 PHE B 28 6.081 -13.202 -16.441 1.00 0.00 H new ATOM 0 HE2 PHE B 28 10.284 -13.490 -15.597 1.00 0.00 H new ATOM 0 HZ PHE B 28 7.927 -13.797 -14.895 1.00 0.00 H new ATOM 429 N GLY B 29 10.031 -12.519 -23.046 1.00 0.00 N ATOM 430 CA GLY B 29 10.031 -12.082 -24.435 1.00 0.00 C ATOM 431 C GLY B 29 9.196 -13.026 -25.297 1.00 0.00 C ATOM 432 O GLY B 29 9.026 -12.802 -26.494 1.00 0.00 O ATOM 0 H GLY B 29 10.897 -12.963 -22.740 1.00 0.00 H new ATOM 0 HA2 GLY B 29 9.632 -11.070 -24.503 1.00 0.00 H new ATOM 0 HA3 GLY B 29 11.054 -12.047 -24.811 1.00 0.00 H new ATOM 436 N LYS B 30 8.681 -14.089 -24.674 1.00 0.00 N ATOM 437 CA LYS B 30 7.880 -15.111 -25.318 1.00 0.00 C ATOM 438 C LYS B 30 6.429 -14.668 -25.460 1.00 0.00 C ATOM 439 O LYS B 30 5.651 -15.294 -26.177 1.00 0.00 O ATOM 440 CB LYS B 30 7.965 -16.376 -24.460 1.00 0.00 C ATOM 441 CG LYS B 30 9.430 -16.779 -24.279 1.00 0.00 C ATOM 442 CD LYS B 30 9.602 -17.963 -23.322 1.00 0.00 C ATOM 443 CE LYS B 30 8.752 -19.170 -23.704 1.00 0.00 C ATOM 444 NZ LYS B 30 9.129 -19.710 -25.025 1.00 0.00 N ATOM 0 H LYS B 30 8.819 -14.259 -23.678 1.00 0.00 H new ATOM 0 HA LYS B 30 8.259 -15.298 -26.323 1.00 0.00 H new ATOM 0 HB2 LYS B 30 7.504 -16.200 -23.488 1.00 0.00 H new ATOM 0 HB3 LYS B 30 7.411 -17.186 -24.934 1.00 0.00 H new ATOM 0 HG2 LYS B 30 9.855 -17.036 -25.249 1.00 0.00 H new ATOM 0 HG3 LYS B 30 9.993 -15.926 -23.901 1.00 0.00 H new ATOM 0 HD2 LYS B 30 10.651 -18.257 -23.302 1.00 0.00 H new ATOM 0 HD3 LYS B 30 9.340 -17.647 -22.312 1.00 0.00 H new ATOM 0 HE2 LYS B 30 8.864 -19.947 -22.948 1.00 0.00 H new ATOM 0 HE3 LYS B 30 7.700 -18.885 -23.715 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 8.552 -20.550 -25.234 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 8.966 -18.987 -25.755 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 10.135 -19.974 -25.018 1.00 0.00 H new ATOM 458 N TYR B 31 6.085 -13.583 -24.772 1.00 0.00 N ATOM 459 CA TYR B 31 4.735 -13.047 -24.738 1.00 0.00 C ATOM 460 C TYR B 31 4.626 -11.699 -25.446 1.00 0.00 C ATOM 461 O TYR B 31 3.532 -11.297 -25.835 1.00 0.00 O ATOM 462 CB TYR B 31 4.326 -12.928 -23.276 1.00 0.00 C ATOM 463 CG TYR B 31 4.420 -14.246 -22.542 1.00 0.00 C ATOM 464 CD1 TYR B 31 3.457 -15.237 -22.768 1.00 0.00 C ATOM 465 CD2 TYR B 31 5.480 -14.477 -21.649 1.00 0.00 C ATOM 466 CE1 TYR B 31 3.572 -16.478 -22.130 1.00 0.00 C ATOM 467 CE2 TYR B 31 5.598 -15.717 -20.998 1.00 0.00 C ATOM 468 CZ TYR B 31 4.656 -16.732 -21.267 1.00 0.00 C ATOM 469 OH TYR B 31 4.783 -17.967 -20.704 1.00 0.00 O ATOM 0 H TYR B 31 6.750 -13.046 -24.215 1.00 0.00 H new ATOM 0 HA TYR B 31 4.066 -13.720 -25.275 1.00 0.00 H new ATOM 0 HB2 TYR B 31 4.963 -12.194 -22.782 1.00 0.00 H new ATOM 0 HB3 TYR B 31 3.304 -12.554 -23.217 1.00 0.00 H new ATOM 0 HD1 TYR B 31 2.628 -15.045 -23.433 1.00 0.00 H new ATOM 0 HD2 TYR B 31 6.206 -13.700 -21.462 1.00 0.00 H new ATOM 0 HE1 TYR B 31 2.828 -17.242 -22.300 1.00 0.00 H new ATOM 0 HE2 TYR B 31 6.402 -15.891 -20.298 1.00 0.00 H new ATOM 0 HH TYR B 31 5.708 -18.098 -20.407 1.00 0.00 H new ATOM 479 N GLY B 32 5.751 -10.996 -25.618 1.00 0.00 N ATOM 480 CA GLY B 32 5.777 -9.693 -26.256 1.00 0.00 C ATOM 481 C GLY B 32 7.186 -9.173 -26.391 1.00 0.00 C ATOM 482 O GLY B 32 8.096 -9.645 -25.710 1.00 0.00 O ATOM 0 H GLY B 32 6.668 -11.324 -25.314 1.00 0.00 H new ATOM 0 HA2 GLY B 32 5.317 -9.760 -27.242 1.00 0.00 H new ATOM 0 HA3 GLY B 32 5.182 -8.989 -25.673 1.00 0.00 H new ATOM 486 N ARG B 33 7.370 -8.194 -27.279 1.00 0.00 N ATOM 487 CA ARG B 33 8.682 -7.606 -27.417 1.00 0.00 C ATOM 488 C ARG B 33 8.924 -6.720 -26.208 1.00 0.00 C ATOM 489 O ARG B 33 8.149 -5.823 -25.887 1.00 0.00 O ATOM 490 CB ARG B 33 8.864 -6.912 -28.769 1.00 0.00 C ATOM 491 CG ARG B 33 8.097 -5.594 -28.869 1.00 0.00 C ATOM 492 CD ARG B 33 8.378 -4.944 -30.223 1.00 0.00 C ATOM 493 NE ARG B 33 7.836 -5.735 -31.334 1.00 0.00 N ATOM 494 CZ ARG B 33 7.992 -5.418 -32.623 1.00 0.00 C ATOM 495 NH1 ARG B 33 8.682 -4.338 -32.981 1.00 0.00 N ATOM 496 NH2 ARG B 33 7.456 -6.186 -33.568 1.00 0.00 N ATOM 0 H ARG B 33 6.648 -7.810 -27.889 1.00 0.00 H new ATOM 0 HA ARG B 33 9.453 -8.377 -27.427 1.00 0.00 H new ATOM 0 HB2 ARG B 33 9.925 -6.723 -28.935 1.00 0.00 H new ATOM 0 HB3 ARG B 33 8.532 -7.581 -29.563 1.00 0.00 H new ATOM 0 HG2 ARG B 33 7.028 -5.773 -28.754 1.00 0.00 H new ATOM 0 HG3 ARG B 33 8.396 -4.924 -28.063 1.00 0.00 H new ATOM 0 HD2 ARG B 33 7.943 -3.945 -30.243 1.00 0.00 H new ATOM 0 HD3 ARG B 33 9.454 -4.826 -30.353 1.00 0.00 H new ATOM 0 HE ARG B 33 7.308 -6.578 -31.109 1.00 0.00 H new ATOM 0 HH11 ARG B 33 9.100 -3.740 -32.268 1.00 0.00 H new ATOM 0 HH12 ARG B 33 8.793 -4.108 -33.968 1.00 0.00 H new ATOM 0 HH21 ARG B 33 6.925 -7.018 -33.309 1.00 0.00 H new ATOM 0 HH22 ARG B 33 7.576 -5.943 -34.551 1.00 0.00 H new ATOM 510 N ILE B 34 10.031 -7.009 -25.543 1.00 0.00 N ATOM 511 CA ILE B 34 10.451 -6.312 -24.342 1.00 0.00 C ATOM 512 C ILE B 34 11.157 -5.012 -24.709 1.00 0.00 C ATOM 513 O ILE B 34 11.883 -4.945 -25.698 1.00 0.00 O ATOM 514 CB ILE B 34 11.323 -7.252 -23.506 1.00 0.00 C ATOM 515 CG1 ILE B 34 10.407 -8.343 -22.929 1.00 0.00 C ATOM 516 CG2 ILE B 34 12.044 -6.499 -22.390 1.00 0.00 C ATOM 517 CD1 ILE B 34 11.160 -9.337 -22.046 1.00 0.00 C ATOM 0 H ILE B 34 10.673 -7.748 -25.829 1.00 0.00 H new ATOM 0 HA ILE B 34 9.589 -6.032 -23.736 1.00 0.00 H new ATOM 0 HB ILE B 34 12.098 -7.696 -24.131 1.00 0.00 H new ATOM 0 HG12 ILE B 34 9.613 -7.875 -22.347 1.00 0.00 H new ATOM 0 HG13 ILE B 34 9.928 -8.880 -23.748 1.00 0.00 H new ATOM 0 HG21 ILE B 34 12.654 -7.196 -21.816 1.00 0.00 H new ATOM 0 HG22 ILE B 34 12.683 -5.730 -22.824 1.00 0.00 H new ATOM 0 HG23 ILE B 34 11.310 -6.033 -21.733 1.00 0.00 H new ATOM 0 HD11 ILE B 34 10.465 -10.085 -21.665 1.00 0.00 H new ATOM 0 HD12 ILE B 34 11.937 -9.828 -22.632 1.00 0.00 H new ATOM 0 HD13 ILE B 34 11.617 -8.808 -21.210 1.00 0.00 H new ATOM 529 N VAL B 35 10.933 -3.973 -23.895 1.00 0.00 N ATOM 530 CA VAL B 35 11.542 -2.664 -24.078 1.00 0.00 C ATOM 531 C VAL B 35 12.498 -2.354 -22.928 1.00 0.00 C ATOM 532 O VAL B 35 13.377 -1.508 -23.069 1.00 0.00 O ATOM 533 CB VAL B 35 10.468 -1.573 -24.207 1.00 0.00 C ATOM 534 CG1 VAL B 35 10.620 -0.876 -25.555 1.00 0.00 C ATOM 535 CG2 VAL B 35 9.037 -2.110 -24.116 1.00 0.00 C ATOM 0 H VAL B 35 10.316 -4.025 -23.084 1.00 0.00 H new ATOM 0 HA VAL B 35 12.115 -2.680 -25.005 1.00 0.00 H new ATOM 0 HB VAL B 35 10.621 -0.891 -23.371 1.00 0.00 H new ATOM 0 HG11 VAL B 35 9.860 -0.101 -25.651 1.00 0.00 H new ATOM 0 HG12 VAL B 35 11.610 -0.424 -25.621 1.00 0.00 H new ATOM 0 HG13 VAL B 35 10.499 -1.604 -26.357 1.00 0.00 H new ATOM 0 HG21 VAL B 35 8.332 -1.285 -24.215 1.00 0.00 H new ATOM 0 HG22 VAL B 35 8.867 -2.831 -24.916 1.00 0.00 H new ATOM 0 HG23 VAL B 35 8.892 -2.597 -23.152 1.00 0.00 H new ATOM 545 N GLU B 36 12.330 -3.035 -21.792 1.00 0.00 N ATOM 546 CA GLU B 36 13.204 -2.893 -20.640 1.00 0.00 C ATOM 547 C GLU B 36 13.056 -4.108 -19.731 1.00 0.00 C ATOM 548 O GLU B 36 11.980 -4.695 -19.656 1.00 0.00 O ATOM 549 CB GLU B 36 12.829 -1.613 -19.881 1.00 0.00 C ATOM 550 CG GLU B 36 13.710 -1.381 -18.653 1.00 0.00 C ATOM 551 CD GLU B 36 13.303 -0.095 -17.938 1.00 0.00 C ATOM 552 OE1 GLU B 36 12.268 -0.123 -17.233 1.00 0.00 O ATOM 553 OE2 GLU B 36 14.027 0.912 -18.102 1.00 0.00 O ATOM 0 H GLU B 36 11.574 -3.705 -21.651 1.00 0.00 H new ATOM 0 HA GLU B 36 14.241 -2.826 -20.968 1.00 0.00 H new ATOM 0 HB2 GLU B 36 12.914 -0.758 -20.552 1.00 0.00 H new ATOM 0 HB3 GLU B 36 11.786 -1.671 -19.570 1.00 0.00 H new ATOM 0 HG2 GLU B 36 13.623 -2.227 -17.971 1.00 0.00 H new ATOM 0 HG3 GLU B 36 14.756 -1.321 -18.954 1.00 0.00 H new ATOM 560 N VAL B 37 14.128 -4.488 -19.033 1.00 0.00 N ATOM 561 CA VAL B 37 14.065 -5.528 -18.021 1.00 0.00 C ATOM 562 C VAL B 37 14.881 -5.122 -16.806 1.00 0.00 C ATOM 563 O VAL B 37 15.935 -4.497 -16.917 1.00 0.00 O ATOM 564 CB VAL B 37 14.508 -6.890 -18.580 1.00 0.00 C ATOM 565 CG1 VAL B 37 15.206 -7.770 -17.539 1.00 0.00 C ATOM 566 CG2 VAL B 37 13.268 -7.652 -19.035 1.00 0.00 C ATOM 0 H VAL B 37 15.056 -4.083 -19.157 1.00 0.00 H new ATOM 0 HA VAL B 37 13.027 -5.644 -17.710 1.00 0.00 H new ATOM 0 HB VAL B 37 15.209 -6.685 -19.389 1.00 0.00 H new ATOM 0 HG11 VAL B 37 15.494 -8.717 -17.997 1.00 0.00 H new ATOM 0 HG12 VAL B 37 16.096 -7.260 -17.170 1.00 0.00 H new ATOM 0 HG13 VAL B 37 14.526 -7.960 -16.709 1.00 0.00 H new ATOM 0 HG21 VAL B 37 13.563 -8.622 -19.435 1.00 0.00 H new ATOM 0 HG22 VAL B 37 12.599 -7.798 -18.187 1.00 0.00 H new ATOM 0 HG23 VAL B 37 12.754 -7.082 -19.809 1.00 0.00 H new ATOM 576 N LEU B 38 14.361 -5.498 -15.639 1.00 0.00 N ATOM 577 CA LEU B 38 15.019 -5.313 -14.359 1.00 0.00 C ATOM 578 C LEU B 38 15.240 -6.677 -13.740 1.00 0.00 C ATOM 579 O LEU B 38 14.533 -7.633 -14.053 1.00 0.00 O ATOM 580 CB LEU B 38 14.114 -4.478 -13.461 1.00 0.00 C ATOM 581 CG LEU B 38 14.461 -2.987 -13.459 1.00 0.00 C ATOM 582 CD1 LEU B 38 13.461 -2.248 -12.580 1.00 0.00 C ATOM 583 CD2 LEU B 38 15.851 -2.726 -12.885 1.00 0.00 C ATOM 0 H LEU B 38 13.450 -5.949 -15.562 1.00 0.00 H new ATOM 0 HA LEU B 38 15.975 -4.804 -14.482 1.00 0.00 H new ATOM 0 HB2 LEU B 38 13.081 -4.602 -13.785 1.00 0.00 H new ATOM 0 HB3 LEU B 38 14.176 -4.859 -12.441 1.00 0.00 H new ATOM 0 HG LEU B 38 14.431 -2.642 -14.493 1.00 0.00 H new ATOM 0 HD11 LEU B 38 13.700 -1.185 -12.572 1.00 0.00 H new ATOM 0 HD12 LEU B 38 12.455 -2.391 -12.974 1.00 0.00 H new ATOM 0 HD13 LEU B 38 13.511 -2.639 -11.564 1.00 0.00 H new ATOM 0 HD21 LEU B 38 16.057 -1.656 -12.902 1.00 0.00 H new ATOM 0 HD22 LEU B 38 15.894 -3.087 -11.857 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.596 -3.248 -13.485 1.00 0.00 H new ATOM 595 N LEU B 39 16.224 -6.752 -12.858 1.00 0.00 N ATOM 596 CA LEU B 39 16.449 -7.920 -12.044 1.00 0.00 C ATOM 597 C LEU B 39 17.176 -7.414 -10.812 1.00 0.00 C ATOM 598 O LEU B 39 18.266 -6.856 -10.924 1.00 0.00 O ATOM 599 CB LEU B 39 17.268 -8.917 -12.860 1.00 0.00 C ATOM 600 CG LEU B 39 17.622 -10.246 -12.191 1.00 0.00 C ATOM 601 CD1 LEU B 39 18.833 -10.100 -11.278 1.00 0.00 C ATOM 602 CD2 LEU B 39 16.476 -10.882 -11.419 1.00 0.00 C ATOM 0 H LEU B 39 16.889 -5.996 -12.691 1.00 0.00 H new ATOM 0 HA LEU B 39 15.540 -8.439 -11.740 1.00 0.00 H new ATOM 0 HB2 LEU B 39 16.719 -9.136 -13.776 1.00 0.00 H new ATOM 0 HB3 LEU B 39 18.197 -8.429 -13.155 1.00 0.00 H new ATOM 0 HG LEU B 39 17.856 -10.919 -13.016 1.00 0.00 H new ATOM 0 HD11 LEU B 39 19.059 -11.062 -10.817 1.00 0.00 H new ATOM 0 HD12 LEU B 39 19.691 -9.766 -11.862 1.00 0.00 H new ATOM 0 HD13 LEU B 39 18.616 -9.367 -10.501 1.00 0.00 H new ATOM 0 HD21 LEU B 39 16.812 -11.820 -10.976 1.00 0.00 H new ATOM 0 HD22 LEU B 39 16.149 -10.205 -10.630 1.00 0.00 H new ATOM 0 HD23 LEU B 39 15.645 -11.078 -12.097 1.00 0.00 H new ATOM 614 N MET B 40 16.580 -7.600 -9.638 1.00 0.00 N ATOM 615 CA MET B 40 17.095 -6.948 -8.452 1.00 0.00 C ATOM 616 C MET B 40 18.065 -7.866 -7.732 1.00 0.00 C ATOM 617 O MET B 40 17.844 -9.076 -7.692 1.00 0.00 O ATOM 618 CB MET B 40 15.945 -6.492 -7.542 1.00 0.00 C ATOM 619 CG MET B 40 14.774 -5.852 -8.292 1.00 0.00 C ATOM 620 SD MET B 40 15.160 -4.908 -9.792 1.00 0.00 S ATOM 621 CE MET B 40 16.318 -3.679 -9.145 1.00 0.00 C ATOM 0 H MET B 40 15.758 -8.185 -9.489 1.00 0.00 H new ATOM 0 HA MET B 40 17.644 -6.053 -8.745 1.00 0.00 H new ATOM 0 HB2 MET B 40 15.577 -7.351 -6.980 1.00 0.00 H new ATOM 0 HB3 MET B 40 16.332 -5.778 -6.815 1.00 0.00 H new ATOM 0 HG2 MET B 40 14.075 -6.643 -8.562 1.00 0.00 H new ATOM 0 HG3 MET B 40 14.254 -5.189 -7.601 1.00 0.00 H new ATOM 0 HE1 MET B 40 16.020 -2.686 -9.482 1.00 0.00 H new ATOM 0 HE2 MET B 40 16.311 -3.710 -8.055 1.00 0.00 H new ATOM 0 HE3 MET B 40 17.322 -3.899 -9.507 1.00 0.00 H new ATOM 631 N LYS B 41 19.142 -7.315 -7.158 1.00 0.00 N ATOM 632 CA LYS B 41 20.094 -8.127 -6.421 1.00 0.00 C ATOM 633 C LYS B 41 20.613 -7.442 -5.161 1.00 0.00 C ATOM 634 O LYS B 41 20.583 -6.220 -5.044 1.00 0.00 O ATOM 635 CB LYS B 41 21.270 -8.570 -7.290 1.00 0.00 C ATOM 636 CG LYS B 41 21.011 -8.520 -8.795 1.00 0.00 C ATOM 637 CD LYS B 41 22.309 -8.827 -9.540 1.00 0.00 C ATOM 638 CE LYS B 41 22.066 -8.795 -11.045 1.00 0.00 C ATOM 639 NZ LYS B 41 23.325 -8.959 -11.796 1.00 0.00 N ATOM 0 H LYS B 41 19.367 -6.321 -7.194 1.00 0.00 H new ATOM 0 HA LYS B 41 19.535 -9.011 -6.113 1.00 0.00 H new ATOM 0 HB2 LYS B 41 22.129 -7.939 -7.063 1.00 0.00 H new ATOM 0 HB3 LYS B 41 21.542 -9.589 -7.016 1.00 0.00 H new ATOM 0 HG2 LYS B 41 20.242 -9.243 -9.068 1.00 0.00 H new ATOM 0 HG3 LYS B 41 20.639 -7.536 -9.079 1.00 0.00 H new ATOM 0 HD2 LYS B 41 23.074 -8.098 -9.271 1.00 0.00 H new ATOM 0 HD3 LYS B 41 22.685 -9.807 -9.245 1.00 0.00 H new ATOM 0 HE2 LYS B 41 21.370 -9.588 -11.320 1.00 0.00 H new ATOM 0 HE3 LYS B 41 21.597 -7.850 -11.320 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 23.126 -8.933 -12.817 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 23.979 -8.188 -11.551 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 23.759 -9.872 -11.551 1.00 0.00 H new ATOM 765 N ARG B 49 17.717 -10.471 -5.291 1.00 0.00 N ATOM 766 CA ARG B 49 16.759 -10.173 -4.238 1.00 0.00 C ATOM 767 C ARG B 49 15.615 -11.178 -4.317 1.00 0.00 C ATOM 768 O ARG B 49 14.773 -11.242 -3.423 1.00 0.00 O ATOM 769 CB ARG B 49 16.189 -8.768 -4.440 1.00 0.00 C ATOM 770 CG ARG B 49 17.241 -7.660 -4.380 1.00 0.00 C ATOM 771 CD ARG B 49 17.559 -7.198 -2.965 1.00 0.00 C ATOM 772 NE ARG B 49 16.390 -6.578 -2.324 1.00 0.00 N ATOM 773 CZ ARG B 49 15.870 -6.952 -1.149 1.00 0.00 C ATOM 774 NH1 ARG B 49 16.389 -7.961 -0.454 1.00 0.00 N ATOM 775 NH2 ARG B 49 14.816 -6.310 -0.658 1.00 0.00 N ATOM 0 HA ARG B 49 17.255 -10.231 -3.269 1.00 0.00 H new ATOM 0 HB2 ARG B 49 15.685 -8.726 -5.406 1.00 0.00 H new ATOM 0 HB3 ARG B 49 15.433 -8.580 -3.678 1.00 0.00 H new ATOM 0 HG2 ARG B 49 18.157 -8.014 -4.852 1.00 0.00 H new ATOM 0 HG3 ARG B 49 16.892 -6.807 -4.962 1.00 0.00 H new ATOM 0 HD2 ARG B 49 17.893 -8.048 -2.370 1.00 0.00 H new ATOM 0 HD3 ARG B 49 18.382 -6.484 -2.991 1.00 0.00 H new ATOM 0 HE ARG B 49 15.941 -5.803 -2.812 1.00 0.00 H new ATOM 0 HH11 ARG B 49 17.199 -8.466 -0.815 1.00 0.00 H new ATOM 0 HH12 ARG B 49 15.977 -8.230 0.440 1.00 0.00 H new ATOM 0 HH21 ARG B 49 14.405 -5.534 -1.176 1.00 0.00 H new ATOM 0 HH22 ARG B 49 14.418 -6.593 0.237 1.00 0.00 H new ATOM 789 N GLY B 50 15.592 -11.960 -5.402 1.00 0.00 N ATOM 790 CA GLY B 50 14.545 -12.934 -5.654 1.00 0.00 C ATOM 791 C GLY B 50 13.333 -12.305 -6.338 1.00 0.00 C ATOM 792 O GLY B 50 12.337 -12.994 -6.543 1.00 0.00 O ATOM 0 H GLY B 50 16.307 -11.928 -6.129 1.00 0.00 H new ATOM 0 HA2 GLY B 50 14.938 -13.736 -6.279 1.00 0.00 H new ATOM 0 HA3 GLY B 50 14.236 -13.386 -4.712 1.00 0.00 H new ATOM 796 N PHE B 51 13.388 -11.021 -6.695 1.00 0.00 N ATOM 797 CA PHE B 51 12.313 -10.391 -7.450 1.00 0.00 C ATOM 798 C PHE B 51 12.888 -9.512 -8.552 1.00 0.00 C ATOM 799 O PHE B 51 14.055 -9.120 -8.500 1.00 0.00 O ATOM 800 CB PHE B 51 11.376 -9.624 -6.516 1.00 0.00 C ATOM 801 CG PHE B 51 11.951 -8.365 -5.912 1.00 0.00 C ATOM 802 CD1 PHE B 51 12.735 -8.433 -4.753 1.00 0.00 C ATOM 803 CD2 PHE B 51 11.685 -7.123 -6.505 1.00 0.00 C ATOM 804 CE1 PHE B 51 13.252 -7.258 -4.185 1.00 0.00 C ATOM 805 CE2 PHE B 51 12.197 -5.951 -5.932 1.00 0.00 C ATOM 806 CZ PHE B 51 12.993 -6.020 -4.785 1.00 0.00 C ATOM 0 H PHE B 51 14.166 -10.401 -6.472 1.00 0.00 H new ATOM 0 HA PHE B 51 11.713 -11.162 -7.933 1.00 0.00 H new ATOM 0 HB2 PHE B 51 10.474 -9.362 -7.069 1.00 0.00 H new ATOM 0 HB3 PHE B 51 11.073 -10.289 -5.707 1.00 0.00 H new ATOM 0 HD1 PHE B 51 12.942 -9.390 -4.296 1.00 0.00 H new ATOM 0 HD2 PHE B 51 11.086 -7.069 -7.402 1.00 0.00 H new ATOM 0 HE1 PHE B 51 13.849 -7.309 -3.286 1.00 0.00 H new ATOM 0 HE2 PHE B 51 11.976 -4.992 -6.378 1.00 0.00 H new ATOM 0 HZ PHE B 51 13.408 -5.118 -4.361 1.00 0.00 H new ATOM 816 N ALA B 52 12.065 -9.203 -9.555 1.00 0.00 N ATOM 817 CA ALA B 52 12.498 -8.472 -10.734 1.00 0.00 C ATOM 818 C ALA B 52 11.323 -7.741 -11.379 1.00 0.00 C ATOM 819 O ALA B 52 10.200 -7.799 -10.880 1.00 0.00 O ATOM 820 CB ALA B 52 13.076 -9.490 -11.713 1.00 0.00 C ATOM 0 H ALA B 52 11.077 -9.456 -9.567 1.00 0.00 H new ATOM 0 HA ALA B 52 13.243 -7.725 -10.461 1.00 0.00 H new ATOM 0 HB1 ALA B 52 13.413 -8.978 -12.614 1.00 0.00 H new ATOM 0 HB2 ALA B 52 13.919 -10.002 -11.250 1.00 0.00 H new ATOM 0 HB3 ALA B 52 12.309 -10.219 -11.975 1.00 0.00 H new ATOM 826 N PHE B 53 11.589 -7.051 -12.492 1.00 0.00 N ATOM 827 CA PHE B 53 10.563 -6.338 -13.238 1.00 0.00 C ATOM 828 C PHE B 53 10.839 -6.450 -14.733 1.00 0.00 C ATOM 829 O PHE B 53 11.948 -6.783 -15.144 1.00 0.00 O ATOM 830 CB PHE B 53 10.508 -4.868 -12.809 1.00 0.00 C ATOM 831 CG PHE B 53 10.237 -4.651 -11.344 1.00 0.00 C ATOM 832 CD1 PHE B 53 11.287 -4.783 -10.429 1.00 0.00 C ATOM 833 CD2 PHE B 53 8.951 -4.314 -10.901 1.00 0.00 C ATOM 834 CE1 PHE B 53 11.050 -4.604 -9.063 1.00 0.00 C ATOM 835 CE2 PHE B 53 8.715 -4.135 -9.533 1.00 0.00 C ATOM 836 CZ PHE B 53 9.761 -4.288 -8.615 1.00 0.00 C ATOM 0 H PHE B 53 12.522 -6.975 -12.896 1.00 0.00 H new ATOM 0 HA PHE B 53 9.594 -6.789 -13.024 1.00 0.00 H new ATOM 0 HB2 PHE B 53 11.456 -4.393 -13.064 1.00 0.00 H new ATOM 0 HB3 PHE B 53 9.733 -4.364 -13.387 1.00 0.00 H new ATOM 0 HD1 PHE B 53 12.280 -5.023 -10.778 1.00 0.00 H new ATOM 0 HD2 PHE B 53 8.146 -4.193 -11.611 1.00 0.00 H new ATOM 0 HE1 PHE B 53 11.859 -4.709 -8.355 1.00 0.00 H new ATOM 0 HE2 PHE B 53 7.725 -3.879 -9.185 1.00 0.00 H new ATOM 0 HZ PHE B 53 9.574 -4.162 -7.559 1.00 0.00 H new ATOM 846 N VAL B 54 9.831 -6.171 -15.560 1.00 0.00 N ATOM 847 CA VAL B 54 9.993 -6.182 -17.008 1.00 0.00 C ATOM 848 C VAL B 54 8.976 -5.247 -17.645 1.00 0.00 C ATOM 849 O VAL B 54 7.837 -5.170 -17.191 1.00 0.00 O ATOM 850 CB VAL B 54 9.836 -7.607 -17.548 1.00 0.00 C ATOM 851 CG1 VAL B 54 8.594 -8.301 -17.068 1.00 0.00 C ATOM 852 CG2 VAL B 54 9.871 -7.643 -19.077 1.00 0.00 C ATOM 0 H VAL B 54 8.890 -5.934 -15.246 1.00 0.00 H new ATOM 0 HA VAL B 54 10.994 -5.832 -17.261 1.00 0.00 H new ATOM 0 HB VAL B 54 10.693 -8.150 -17.148 1.00 0.00 H new ATOM 0 HG11 VAL B 54 8.551 -9.304 -17.491 1.00 0.00 H new ATOM 0 HG12 VAL B 54 8.611 -8.367 -15.980 1.00 0.00 H new ATOM 0 HG13 VAL B 54 7.717 -7.736 -17.384 1.00 0.00 H new ATOM 0 HG21 VAL B 54 9.757 -8.671 -19.419 1.00 0.00 H new ATOM 0 HG22 VAL B 54 9.058 -7.036 -19.474 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.824 -7.248 -19.429 1.00 0.00 H new ATOM 862 N THR B 55 9.393 -4.539 -18.693 1.00 0.00 N ATOM 863 CA THR B 55 8.509 -3.662 -19.441 1.00 0.00 C ATOM 864 C THR B 55 8.278 -4.214 -20.834 1.00 0.00 C ATOM 865 O THR B 55 9.225 -4.432 -21.594 1.00 0.00 O ATOM 866 CB THR B 55 9.061 -2.242 -19.525 1.00 0.00 C ATOM 867 OG1 THR B 55 9.353 -1.763 -18.231 1.00 0.00 O ATOM 868 CG2 THR B 55 8.026 -1.323 -20.173 1.00 0.00 C ATOM 0 H THR B 55 10.351 -4.560 -19.043 1.00 0.00 H new ATOM 0 HA THR B 55 7.559 -3.619 -18.908 1.00 0.00 H new ATOM 0 HB THR B 55 9.971 -2.253 -20.125 1.00 0.00 H new ATOM 0 HG1 THR B 55 9.709 -0.852 -18.292 1.00 0.00 H new ATOM 0 HG21 THR B 55 8.424 -0.310 -20.231 1.00 0.00 H new ATOM 0 HG22 THR B 55 7.799 -1.682 -21.177 1.00 0.00 H new ATOM 0 HG23 THR B 55 7.115 -1.321 -19.574 1.00 0.00 H new ATOM 876 N PHE B 56 7.006 -4.433 -21.163 1.00 0.00 N ATOM 877 CA PHE B 56 6.572 -4.844 -22.486 1.00 0.00 C ATOM 878 C PHE B 56 6.203 -3.629 -23.328 1.00 0.00 C ATOM 879 O PHE B 56 5.874 -2.573 -22.794 1.00 0.00 O ATOM 880 CB PHE B 56 5.356 -5.752 -22.343 1.00 0.00 C ATOM 881 CG PHE B 56 5.673 -7.125 -21.802 1.00 0.00 C ATOM 882 CD1 PHE B 56 6.178 -7.302 -20.503 1.00 0.00 C ATOM 883 CD2 PHE B 56 5.452 -8.234 -22.623 1.00 0.00 C ATOM 884 CE1 PHE B 56 6.465 -8.591 -20.032 1.00 0.00 C ATOM 885 CE2 PHE B 56 5.709 -9.521 -22.141 1.00 0.00 C ATOM 886 CZ PHE B 56 6.205 -9.702 -20.844 1.00 0.00 C ATOM 0 H PHE B 56 6.238 -4.326 -20.501 1.00 0.00 H new ATOM 0 HA PHE B 56 7.384 -5.375 -22.982 1.00 0.00 H new ATOM 0 HB2 PHE B 56 4.633 -5.272 -21.684 1.00 0.00 H new ATOM 0 HB3 PHE B 56 4.879 -5.858 -23.317 1.00 0.00 H new ATOM 0 HD1 PHE B 56 6.345 -6.445 -19.867 1.00 0.00 H new ATOM 0 HD2 PHE B 56 5.083 -8.097 -23.629 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.885 -8.727 -19.046 1.00 0.00 H new ATOM 0 HE2 PHE B 56 5.524 -10.378 -22.771 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.387 -10.699 -20.470 1.00 0.00 H new ATOM 896 N GLU B 57 6.253 -3.781 -24.654 1.00 0.00 N ATOM 897 CA GLU B 57 5.828 -2.726 -25.558 1.00 0.00 C ATOM 898 C GLU B 57 4.308 -2.714 -25.679 1.00 0.00 C ATOM 899 O GLU B 57 3.737 -1.682 -26.029 1.00 0.00 O ATOM 900 CB GLU B 57 6.460 -2.943 -26.931 1.00 0.00 C ATOM 901 CG GLU B 57 7.385 -1.792 -27.322 1.00 0.00 C ATOM 902 CD GLU B 57 6.604 -0.498 -27.557 1.00 0.00 C ATOM 903 OE1 GLU B 57 6.014 -0.369 -28.655 1.00 0.00 O ATOM 904 OE2 GLU B 57 6.605 0.353 -26.639 1.00 0.00 O ATOM 0 H GLU B 57 6.584 -4.626 -25.119 1.00 0.00 H new ATOM 0 HA GLU B 57 6.152 -1.765 -25.160 1.00 0.00 H new ATOM 0 HB2 GLU B 57 7.023 -3.876 -26.928 1.00 0.00 H new ATOM 0 HB3 GLU B 57 5.675 -3.048 -27.680 1.00 0.00 H new ATOM 0 HG2 GLU B 57 8.123 -1.635 -26.536 1.00 0.00 H new ATOM 0 HG3 GLU B 57 7.934 -2.056 -28.226 1.00 0.00 H new ATOM 911 N SER B 58 3.649 -3.845 -25.395 1.00 0.00 N ATOM 912 CA SER B 58 2.201 -3.886 -25.377 1.00 0.00 C ATOM 913 C SER B 58 1.729 -4.180 -23.964 1.00 0.00 C ATOM 914 O SER B 58 2.303 -5.032 -23.284 1.00 0.00 O ATOM 915 CB SER B 58 1.704 -4.924 -26.378 1.00 0.00 C ATOM 916 OG SER B 58 0.309 -5.095 -26.242 1.00 0.00 O ATOM 0 H SER B 58 4.102 -4.733 -25.177 1.00 0.00 H new ATOM 0 HA SER B 58 1.788 -2.923 -25.675 1.00 0.00 H new ATOM 0 HB2 SER B 58 1.943 -4.606 -27.393 1.00 0.00 H new ATOM 0 HB3 SER B 58 2.213 -5.874 -26.213 1.00 0.00 H new ATOM 0 HG SER B 58 -0.003 -5.762 -26.889 1.00 0.00 H new ATOM 922 N PRO B 59 0.686 -3.484 -23.502 1.00 0.00 N ATOM 923 CA PRO B 59 0.188 -3.632 -22.154 1.00 0.00 C ATOM 924 C PRO B 59 -0.588 -4.934 -22.013 1.00 0.00 C ATOM 925 O PRO B 59 -0.973 -5.283 -20.902 1.00 0.00 O ATOM 926 CB PRO B 59 -0.744 -2.445 -21.958 1.00 0.00 C ATOM 927 CG PRO B 59 -1.330 -2.275 -23.349 1.00 0.00 C ATOM 928 CD PRO B 59 -0.105 -2.508 -24.231 1.00 0.00 C ATOM 0 HA PRO B 59 0.992 -3.660 -21.418 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -1.513 -2.648 -21.213 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -0.208 -1.555 -21.629 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -2.123 -2.996 -23.550 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -1.757 -1.283 -23.495 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -0.389 -2.882 -25.215 1.00 0.00 H new ATOM 0 HD3 PRO B 59 0.452 -1.584 -24.390 1.00 0.00 H new ATOM 936 N ALA B 60 -0.820 -5.646 -23.121 1.00 0.00 N ATOM 937 CA ALA B 60 -1.578 -6.883 -23.105 1.00 0.00 C ATOM 938 C ALA B 60 -0.682 -8.069 -23.441 1.00 0.00 C ATOM 939 O ALA B 60 -1.067 -9.212 -23.211 1.00 0.00 O ATOM 940 CB ALA B 60 -2.771 -6.761 -24.048 1.00 0.00 C ATOM 0 H ALA B 60 -0.486 -5.375 -24.046 1.00 0.00 H new ATOM 0 HA ALA B 60 -1.965 -7.065 -22.103 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -3.341 -7.690 -24.036 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -3.410 -5.940 -23.723 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -2.416 -6.566 -25.060 1.00 0.00 H new ATOM 946 N ASP B 61 0.512 -7.805 -23.978 1.00 0.00 N ATOM 947 CA ASP B 61 1.511 -8.849 -24.107 1.00 0.00 C ATOM 948 C ASP B 61 2.030 -9.162 -22.708 1.00 0.00 C ATOM 949 O ASP B 61 2.458 -10.281 -22.428 1.00 0.00 O ATOM 950 CB ASP B 61 2.651 -8.361 -24.996 1.00 0.00 C ATOM 951 CG ASP B 61 2.288 -8.324 -26.480 1.00 0.00 C ATOM 952 OD1 ASP B 61 1.139 -8.683 -26.821 1.00 0.00 O ATOM 953 OD2 ASP B 61 3.172 -7.924 -27.269 1.00 0.00 O ATOM 0 H ASP B 61 0.800 -6.890 -24.323 1.00 0.00 H new ATOM 0 HA ASP B 61 1.084 -9.743 -24.561 1.00 0.00 H new ATOM 0 HB2 ASP B 61 2.949 -7.362 -24.677 1.00 0.00 H new ATOM 0 HB3 ASP B 61 3.515 -9.011 -24.857 1.00 0.00 H new ATOM 958 N ALA B 62 1.980 -8.157 -21.829 1.00 0.00 N ATOM 959 CA ALA B 62 2.328 -8.313 -20.433 1.00 0.00 C ATOM 960 C ALA B 62 1.193 -8.995 -19.670 1.00 0.00 C ATOM 961 O ALA B 62 1.450 -9.716 -18.709 1.00 0.00 O ATOM 962 CB ALA B 62 2.619 -6.941 -19.840 1.00 0.00 C ATOM 0 H ALA B 62 1.694 -7.210 -22.078 1.00 0.00 H new ATOM 0 HA ALA B 62 3.214 -8.942 -20.348 1.00 0.00 H new ATOM 0 HB1 ALA B 62 2.882 -7.048 -18.788 1.00 0.00 H new ATOM 0 HB2 ALA B 62 3.449 -6.481 -20.377 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.734 -6.311 -19.930 1.00 0.00 H new ATOM 968 N LYS B 63 -0.060 -8.778 -20.092 1.00 0.00 N ATOM 969 CA LYS B 63 -1.197 -9.464 -19.489 1.00 0.00 C ATOM 970 C LYS B 63 -1.135 -10.934 -19.856 1.00 0.00 C ATOM 971 O LYS B 63 -1.439 -11.786 -19.030 1.00 0.00 O ATOM 972 CB LYS B 63 -2.516 -8.880 -20.003 1.00 0.00 C ATOM 973 CG LYS B 63 -2.751 -7.477 -19.449 1.00 0.00 C ATOM 974 CD LYS B 63 -3.972 -6.804 -20.082 1.00 0.00 C ATOM 975 CE LYS B 63 -5.227 -7.638 -19.820 1.00 0.00 C ATOM 976 NZ LYS B 63 -6.422 -7.012 -20.416 1.00 0.00 N ATOM 0 H LYS B 63 -0.305 -8.135 -20.845 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.152 -9.336 -18.408 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -2.502 -8.846 -21.092 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -3.342 -9.531 -19.715 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -2.888 -7.533 -18.369 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -1.867 -6.865 -19.627 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -4.099 -5.803 -19.671 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -3.819 -6.691 -21.155 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -5.094 -8.638 -20.233 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -5.372 -7.753 -18.746 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -7.256 -7.601 -20.221 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -6.561 -6.067 -20.004 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -6.292 -6.925 -21.444 1.00 0.00 H new ATOM 990 N ASP B 64 -0.743 -11.234 -21.092 1.00 0.00 N ATOM 991 CA ASP B 64 -0.707 -12.605 -21.568 1.00 0.00 C ATOM 992 C ASP B 64 0.384 -13.380 -20.849 1.00 0.00 C ATOM 993 O ASP B 64 0.242 -14.577 -20.615 1.00 0.00 O ATOM 994 CB ASP B 64 -0.444 -12.578 -23.068 1.00 0.00 C ATOM 995 CG ASP B 64 -0.659 -13.950 -23.702 1.00 0.00 C ATOM 996 OD1 ASP B 64 -1.801 -14.454 -23.606 1.00 0.00 O ATOM 997 OD2 ASP B 64 0.317 -14.484 -24.276 1.00 0.00 O ATOM 0 H ASP B 64 -0.446 -10.541 -21.779 1.00 0.00 H new ATOM 0 HA ASP B 64 -1.657 -13.101 -21.367 1.00 0.00 H new ATOM 0 HB2 ASP B 64 -1.104 -11.851 -23.541 1.00 0.00 H new ATOM 0 HB3 ASP B 64 0.578 -12.248 -23.253 1.00 0.00 H new ATOM 1002 N ALA B 65 1.476 -12.699 -20.496 1.00 0.00 N ATOM 1003 CA ALA B 65 2.528 -13.305 -19.701 1.00 0.00 C ATOM 1004 C ALA B 65 2.079 -13.424 -18.250 1.00 0.00 C ATOM 1005 O ALA B 65 2.267 -14.458 -17.617 1.00 0.00 O ATOM 1006 CB ALA B 65 3.797 -12.460 -19.786 1.00 0.00 C ATOM 0 H ALA B 65 1.648 -11.727 -20.752 1.00 0.00 H new ATOM 0 HA ALA B 65 2.738 -14.301 -20.090 1.00 0.00 H new ATOM 0 HB1 ALA B 65 4.582 -12.921 -19.187 1.00 0.00 H new ATOM 0 HB2 ALA B 65 4.123 -12.396 -20.824 1.00 0.00 H new ATOM 0 HB3 ALA B 65 3.593 -11.458 -19.408 1.00 0.00 H new ATOM 1012 N ALA B 66 1.476 -12.364 -17.711 1.00 0.00 N ATOM 1013 CA ALA B 66 1.046 -12.342 -16.325 1.00 0.00 C ATOM 1014 C ALA B 66 -0.147 -13.273 -16.101 1.00 0.00 C ATOM 1015 O ALA B 66 -0.549 -13.508 -14.964 1.00 0.00 O ATOM 1016 CB ALA B 66 0.724 -10.894 -15.953 1.00 0.00 C ATOM 0 H ALA B 66 1.276 -11.505 -18.224 1.00 0.00 H new ATOM 0 HA ALA B 66 1.841 -12.712 -15.678 1.00 0.00 H new ATOM 0 HB1 ALA B 66 0.398 -10.849 -14.914 1.00 0.00 H new ATOM 0 HB2 ALA B 66 1.615 -10.279 -16.080 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -0.070 -10.520 -16.599 1.00 0.00 H new ATOM 1022 N ARG B 67 -0.710 -13.806 -17.188 1.00 0.00 N ATOM 1023 CA ARG B 67 -1.780 -14.797 -17.160 1.00 0.00 C ATOM 1024 C ARG B 67 -1.271 -16.203 -17.487 1.00 0.00 C ATOM 1025 O ARG B 67 -2.079 -17.125 -17.588 1.00 0.00 O ATOM 1026 CB ARG B 67 -2.865 -14.378 -18.153 1.00 0.00 C ATOM 1027 CG ARG B 67 -3.619 -13.156 -17.624 1.00 0.00 C ATOM 1028 CD ARG B 67 -4.513 -12.553 -18.708 1.00 0.00 C ATOM 1029 NE ARG B 67 -5.538 -13.505 -19.156 1.00 0.00 N ATOM 1030 CZ ARG B 67 -6.143 -13.460 -20.346 1.00 0.00 C ATOM 1031 NH1 ARG B 67 -5.846 -12.509 -21.229 1.00 0.00 N ATOM 1032 NH2 ARG B 67 -7.056 -14.374 -20.664 1.00 0.00 N ATOM 0 H ARG B 67 -0.425 -13.552 -18.134 1.00 0.00 H new ATOM 0 HA ARG B 67 -2.188 -14.837 -16.150 1.00 0.00 H new ATOM 0 HB2 ARG B 67 -2.415 -14.147 -19.119 1.00 0.00 H new ATOM 0 HB3 ARG B 67 -3.560 -15.202 -18.313 1.00 0.00 H new ATOM 0 HG2 ARG B 67 -4.226 -13.442 -16.765 1.00 0.00 H new ATOM 0 HG3 ARG B 67 -2.907 -12.407 -17.276 1.00 0.00 H new ATOM 0 HD2 ARG B 67 -4.994 -11.653 -18.324 1.00 0.00 H new ATOM 0 HD3 ARG B 67 -3.901 -12.250 -19.558 1.00 0.00 H new ATOM 0 HE ARG B 67 -5.806 -14.251 -18.515 1.00 0.00 H new ATOM 0 HH11 ARG B 67 -5.148 -11.801 -21.001 1.00 0.00 H new ATOM 0 HH12 ARG B 67 -6.317 -12.488 -22.134 1.00 0.00 H new ATOM 0 HH21 ARG B 67 -7.294 -15.110 -19.999 1.00 0.00 H new ATOM 0 HH22 ARG B 67 -7.518 -14.339 -21.573 1.00 0.00 H new ATOM 1046 N ASP B 68 0.042 -16.390 -17.656 1.00 0.00 N ATOM 1047 CA ASP B 68 0.599 -17.663 -18.065 1.00 0.00 C ATOM 1048 C ASP B 68 1.709 -18.060 -17.108 1.00 0.00 C ATOM 1049 O ASP B 68 1.722 -19.154 -16.552 1.00 0.00 O ATOM 1050 CB ASP B 68 1.229 -17.456 -19.436 1.00 0.00 C ATOM 1051 CG ASP B 68 0.366 -18.016 -20.564 1.00 0.00 C ATOM 1052 OD1 ASP B 68 -0.818 -17.621 -20.651 1.00 0.00 O ATOM 1053 OD2 ASP B 68 0.898 -18.846 -21.338 1.00 0.00 O ATOM 0 H ASP B 68 0.739 -15.659 -17.511 1.00 0.00 H new ATOM 0 HA ASP B 68 -0.175 -18.430 -18.078 1.00 0.00 H new ATOM 0 HB2 ASP B 68 1.391 -16.391 -19.601 1.00 0.00 H new ATOM 0 HB3 ASP B 68 2.208 -17.935 -19.459 1.00 0.00 H new ATOM 1058 N MET B 69 2.633 -17.122 -16.941 1.00 0.00 N ATOM 1059 CA MET B 69 3.830 -17.256 -16.152 1.00 0.00 C ATOM 1060 C MET B 69 3.578 -17.013 -14.668 1.00 0.00 C ATOM 1061 O MET B 69 4.449 -17.277 -13.842 1.00 0.00 O ATOM 1062 CB MET B 69 4.811 -16.241 -16.718 1.00 0.00 C ATOM 1063 CG MET B 69 5.714 -16.859 -17.782 1.00 0.00 C ATOM 1064 SD MET B 69 6.729 -18.260 -17.240 1.00 0.00 S ATOM 1065 CE MET B 69 7.590 -17.422 -15.894 1.00 0.00 C ATOM 0 H MET B 69 2.554 -16.204 -17.379 1.00 0.00 H new ATOM 0 HA MET B 69 4.219 -18.273 -16.211 1.00 0.00 H new ATOM 0 HB2 MET B 69 4.261 -15.405 -17.149 1.00 0.00 H new ATOM 0 HB3 MET B 69 5.423 -15.838 -15.911 1.00 0.00 H new ATOM 0 HG2 MET B 69 5.091 -17.187 -18.614 1.00 0.00 H new ATOM 0 HG3 MET B 69 6.376 -16.082 -18.166 1.00 0.00 H new ATOM 0 HE1 MET B 69 8.606 -17.810 -15.814 1.00 0.00 H new ATOM 0 HE2 MET B 69 7.625 -16.351 -16.095 1.00 0.00 H new ATOM 0 HE3 MET B 69 7.060 -17.598 -14.958 1.00 0.00 H new ATOM 1075 N ASN B 70 2.394 -16.510 -14.308 1.00 0.00 N ATOM 1076 CA ASN B 70 2.070 -16.282 -12.914 1.00 0.00 C ATOM 1077 C ASN B 70 1.807 -17.622 -12.226 1.00 0.00 C ATOM 1078 O ASN B 70 0.980 -18.407 -12.682 1.00 0.00 O ATOM 1079 CB ASN B 70 0.861 -15.352 -12.820 1.00 0.00 C ATOM 1080 CG ASN B 70 0.538 -14.979 -11.379 1.00 0.00 C ATOM 1081 OD1 ASN B 70 1.365 -15.132 -10.486 1.00 0.00 O ATOM 1082 ND2 ASN B 70 -0.674 -14.482 -11.144 1.00 0.00 N ATOM 0 H ASN B 70 1.655 -16.257 -14.964 1.00 0.00 H new ATOM 0 HA ASN B 70 2.906 -15.802 -12.405 1.00 0.00 H new ATOM 0 HB2 ASN B 70 1.055 -14.446 -13.394 1.00 0.00 H new ATOM 0 HB3 ASN B 70 -0.005 -15.836 -13.272 1.00 0.00 H new ATOM 0 HD21 ASN B 70 -0.941 -14.214 -10.197 1.00 0.00 H new ATOM 0 HD22 ASN B 70 -1.336 -14.369 -11.911 1.00 0.00 H new ATOM 1089 N GLY B 71 2.514 -17.875 -11.124 1.00 0.00 N ATOM 1090 CA GLY B 71 2.352 -19.093 -10.346 1.00 0.00 C ATOM 1091 C GLY B 71 3.236 -20.224 -10.863 1.00 0.00 C ATOM 1092 O GLY B 71 3.307 -21.282 -10.238 1.00 0.00 O ATOM 0 H GLY B 71 3.215 -17.236 -10.749 1.00 0.00 H new ATOM 0 HA2 GLY B 71 2.595 -18.892 -9.303 1.00 0.00 H new ATOM 0 HA3 GLY B 71 1.308 -19.406 -10.376 1.00 0.00 H new ATOM 1096 N LYS B 72 3.912 -20.015 -11.996 1.00 0.00 N ATOM 1097 CA LYS B 72 4.877 -20.933 -12.557 1.00 0.00 C ATOM 1098 C LYS B 72 6.211 -20.770 -11.848 1.00 0.00 C ATOM 1099 O LYS B 72 6.267 -20.348 -10.696 1.00 0.00 O ATOM 1100 CB LYS B 72 5.011 -20.620 -14.040 1.00 0.00 C ATOM 1101 CG LYS B 72 3.669 -20.623 -14.778 1.00 0.00 C ATOM 1102 CD LYS B 72 2.949 -21.964 -14.624 1.00 0.00 C ATOM 1103 CE LYS B 72 1.655 -21.954 -15.440 1.00 0.00 C ATOM 1104 NZ LYS B 72 0.930 -23.230 -15.310 1.00 0.00 N ATOM 0 H LYS B 72 3.791 -19.172 -12.557 1.00 0.00 H new ATOM 0 HA LYS B 72 4.552 -21.965 -12.427 1.00 0.00 H new ATOM 0 HB2 LYS B 72 5.482 -19.644 -14.158 1.00 0.00 H new ATOM 0 HB3 LYS B 72 5.674 -21.352 -14.501 1.00 0.00 H new ATOM 0 HG2 LYS B 72 3.038 -19.823 -14.391 1.00 0.00 H new ATOM 0 HG3 LYS B 72 3.833 -20.416 -15.835 1.00 0.00 H new ATOM 0 HD2 LYS B 72 3.595 -22.775 -14.960 1.00 0.00 H new ATOM 0 HD3 LYS B 72 2.726 -22.149 -13.573 1.00 0.00 H new ATOM 0 HE2 LYS B 72 1.018 -21.136 -15.105 1.00 0.00 H new ATOM 0 HE3 LYS B 72 1.886 -21.770 -16.489 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 0.057 -23.192 -15.874 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 1.531 -24.007 -15.652 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 0.690 -23.393 -14.311 1.00 0.00 H new ATOM 1118 N SER B 73 7.286 -21.108 -12.551 1.00 0.00 N ATOM 1119 CA SER B 73 8.623 -21.120 -11.995 1.00 0.00 C ATOM 1120 C SER B 73 9.655 -20.582 -12.967 1.00 0.00 C ATOM 1121 O SER B 73 9.436 -20.552 -14.178 1.00 0.00 O ATOM 1122 CB SER B 73 8.917 -22.566 -11.617 1.00 0.00 C ATOM 1123 OG SER B 73 10.164 -22.693 -10.976 1.00 0.00 O ATOM 0 H SER B 73 7.247 -21.383 -13.532 1.00 0.00 H new ATOM 0 HA SER B 73 8.679 -20.464 -11.126 1.00 0.00 H new ATOM 0 HB2 SER B 73 8.131 -22.938 -10.960 1.00 0.00 H new ATOM 0 HB3 SER B 73 8.903 -23.186 -12.513 1.00 0.00 H new ATOM 0 HG SER B 73 10.319 -23.633 -10.746 1.00 0.00 H new ATOM 1129 N LEU B 74 10.785 -20.160 -12.402 1.00 0.00 N ATOM 1130 CA LEU B 74 11.908 -19.655 -13.159 1.00 0.00 C ATOM 1131 C LEU B 74 13.160 -20.323 -12.640 1.00 0.00 C ATOM 1132 O LEU B 74 13.424 -20.282 -11.440 1.00 0.00 O ATOM 1133 CB LEU B 74 12.058 -18.147 -12.984 1.00 0.00 C ATOM 1134 CG LEU B 74 12.383 -17.405 -14.278 1.00 0.00 C ATOM 1135 CD1 LEU B 74 13.548 -17.993 -15.072 1.00 0.00 C ATOM 1136 CD2 LEU B 74 11.144 -17.395 -15.163 1.00 0.00 C ATOM 0 H LEU B 74 10.939 -20.163 -11.394 1.00 0.00 H new ATOM 0 HA LEU B 74 11.747 -19.867 -14.216 1.00 0.00 H new ATOM 0 HB2 LEU B 74 11.134 -17.745 -12.568 1.00 0.00 H new ATOM 0 HB3 LEU B 74 12.846 -17.952 -12.257 1.00 0.00 H new ATOM 0 HG LEU B 74 12.690 -16.401 -13.984 1.00 0.00 H new ATOM 0 HD11 LEU B 74 13.708 -17.403 -15.975 1.00 0.00 H new ATOM 0 HD12 LEU B 74 14.451 -17.974 -14.462 1.00 0.00 H new ATOM 0 HD13 LEU B 74 13.318 -19.022 -15.347 1.00 0.00 H new ATOM 0 HD21 LEU B 74 11.364 -16.867 -16.091 1.00 0.00 H new ATOM 0 HD22 LEU B 74 10.850 -18.420 -15.389 1.00 0.00 H new ATOM 0 HD23 LEU B 74 10.330 -16.891 -14.643 1.00 0.00 H new ATOM 1148 N ASP B 75 13.920 -20.933 -13.548 1.00 0.00 N ATOM 1149 CA ASP B 75 15.145 -21.646 -13.242 1.00 0.00 C ATOM 1150 C ASP B 75 14.958 -22.830 -12.302 1.00 0.00 C ATOM 1151 O ASP B 75 15.793 -23.731 -12.270 1.00 0.00 O ATOM 1152 CB ASP B 75 16.147 -20.645 -12.665 1.00 0.00 C ATOM 1153 CG ASP B 75 17.590 -21.104 -12.873 1.00 0.00 C ATOM 1154 OD1 ASP B 75 18.025 -22.034 -12.159 1.00 0.00 O ATOM 1155 OD2 ASP B 75 18.253 -20.515 -13.755 1.00 0.00 O ATOM 0 H ASP B 75 13.689 -20.941 -14.541 1.00 0.00 H new ATOM 0 HA ASP B 75 15.515 -22.083 -14.170 1.00 0.00 H new ATOM 0 HB2 ASP B 75 16.003 -19.673 -13.137 1.00 0.00 H new ATOM 0 HB3 ASP B 75 15.957 -20.513 -11.600 1.00 0.00 H new ATOM 1160 N GLY B 76 13.870 -22.837 -11.537 1.00 0.00 N ATOM 1161 CA GLY B 76 13.599 -23.901 -10.607 1.00 0.00 C ATOM 1162 C GLY B 76 12.781 -23.437 -9.400 1.00 0.00 C ATOM 1163 O GLY B 76 12.381 -24.267 -8.582 1.00 0.00 O ATOM 0 H GLY B 76 13.161 -22.104 -11.552 1.00 0.00 H new ATOM 0 HA2 GLY B 76 13.061 -24.698 -11.120 1.00 0.00 H new ATOM 0 HA3 GLY B 76 14.542 -24.324 -10.261 1.00 0.00 H new ATOM 1167 N LYS B 77 12.532 -22.126 -9.275 1.00 0.00 N ATOM 1168 CA LYS B 77 11.866 -21.547 -8.119 1.00 0.00 C ATOM 1169 C LYS B 77 10.555 -20.900 -8.540 1.00 0.00 C ATOM 1170 O LYS B 77 10.513 -20.161 -9.520 1.00 0.00 O ATOM 1171 CB LYS B 77 12.789 -20.541 -7.425 1.00 0.00 C ATOM 1172 CG LYS B 77 14.177 -21.129 -7.150 1.00 0.00 C ATOM 1173 CD LYS B 77 14.115 -22.355 -6.235 1.00 0.00 C ATOM 1174 CE LYS B 77 15.465 -23.068 -6.219 1.00 0.00 C ATOM 1175 NZ LYS B 77 16.544 -22.204 -5.700 1.00 0.00 N ATOM 0 H LYS B 77 12.792 -21.440 -9.983 1.00 0.00 H new ATOM 0 HA LYS B 77 11.636 -22.337 -7.404 1.00 0.00 H new ATOM 0 HB2 LYS B 77 12.889 -19.652 -8.047 1.00 0.00 H new ATOM 0 HB3 LYS B 77 12.337 -20.223 -6.485 1.00 0.00 H new ATOM 0 HG2 LYS B 77 14.646 -21.406 -8.094 1.00 0.00 H new ATOM 0 HG3 LYS B 77 14.808 -20.367 -6.692 1.00 0.00 H new ATOM 0 HD2 LYS B 77 13.844 -22.050 -5.224 1.00 0.00 H new ATOM 0 HD3 LYS B 77 13.339 -23.038 -6.581 1.00 0.00 H new ATOM 0 HE2 LYS B 77 15.393 -23.966 -5.605 1.00 0.00 H new ATOM 0 HE3 LYS B 77 15.715 -23.392 -7.229 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 17.361 -22.790 -5.436 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 16.828 -21.525 -6.434 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 16.203 -21.688 -4.864 1.00 0.00 H new ATOM 1189 N ALA B 78 9.485 -21.179 -7.795 1.00 0.00 N ATOM 1190 CA ALA B 78 8.150 -20.721 -8.150 1.00 0.00 C ATOM 1191 C ALA B 78 8.014 -19.211 -7.965 1.00 0.00 C ATOM 1192 O ALA B 78 8.496 -18.655 -6.977 1.00 0.00 O ATOM 1193 CB ALA B 78 7.110 -21.485 -7.333 1.00 0.00 C ATOM 0 H ALA B 78 9.523 -21.726 -6.935 1.00 0.00 H new ATOM 0 HA ALA B 78 7.977 -20.925 -9.207 1.00 0.00 H new ATOM 0 HB1 ALA B 78 6.111 -21.140 -7.601 1.00 0.00 H new ATOM 0 HB2 ALA B 78 7.194 -22.551 -7.543 1.00 0.00 H new ATOM 0 HB3 ALA B 78 7.281 -21.310 -6.271 1.00 0.00 H new ATOM 1199 N ILE B 79 7.351 -18.551 -8.917 1.00 0.00 N ATOM 1200 CA ILE B 79 7.237 -17.098 -8.938 1.00 0.00 C ATOM 1201 C ILE B 79 5.804 -16.580 -8.892 1.00 0.00 C ATOM 1202 O ILE B 79 4.835 -17.337 -8.882 1.00 0.00 O ATOM 1203 CB ILE B 79 7.923 -16.540 -10.192 1.00 0.00 C ATOM 1204 CG1 ILE B 79 7.097 -16.837 -11.453 1.00 0.00 C ATOM 1205 CG2 ILE B 79 9.333 -17.111 -10.339 1.00 0.00 C ATOM 1206 CD1 ILE B 79 7.664 -16.090 -12.656 1.00 0.00 C ATOM 0 H ILE B 79 6.879 -19.013 -9.694 1.00 0.00 H new ATOM 0 HA ILE B 79 7.726 -16.752 -8.027 1.00 0.00 H new ATOM 0 HB ILE B 79 7.995 -15.459 -10.076 1.00 0.00 H new ATOM 0 HG12 ILE B 79 7.098 -17.909 -11.651 1.00 0.00 H new ATOM 0 HG13 ILE B 79 6.060 -16.544 -11.292 1.00 0.00 H new ATOM 0 HG21 ILE B 79 9.800 -16.701 -11.235 1.00 0.00 H new ATOM 0 HG22 ILE B 79 9.927 -16.843 -9.465 1.00 0.00 H new ATOM 0 HG23 ILE B 79 9.279 -18.196 -10.422 1.00 0.00 H new ATOM 0 HD11 ILE B 79 7.065 -16.314 -13.539 1.00 0.00 H new ATOM 0 HD12 ILE B 79 7.639 -15.018 -12.463 1.00 0.00 H new ATOM 0 HD13 ILE B 79 8.694 -16.404 -12.827 1.00 0.00 H new ATOM 1218 N LYS B 80 5.716 -15.248 -8.875 1.00 0.00 N ATOM 1219 CA LYS B 80 4.508 -14.465 -9.026 1.00 0.00 C ATOM 1220 C LYS B 80 4.716 -13.534 -10.215 1.00 0.00 C ATOM 1221 O LYS B 80 5.822 -13.028 -10.405 1.00 0.00 O ATOM 1222 CB LYS B 80 4.292 -13.627 -7.762 1.00 0.00 C ATOM 1223 CG LYS B 80 2.982 -12.836 -7.837 1.00 0.00 C ATOM 1224 CD LYS B 80 2.965 -11.738 -6.777 1.00 0.00 C ATOM 1225 CE LYS B 80 1.713 -10.878 -6.951 1.00 0.00 C ATOM 1226 NZ LYS B 80 1.746 -9.706 -6.056 1.00 0.00 N ATOM 0 H LYS B 80 6.541 -14.661 -8.747 1.00 0.00 H new ATOM 0 HA LYS B 80 3.642 -15.108 -9.182 1.00 0.00 H new ATOM 0 HB2 LYS B 80 4.276 -14.279 -6.889 1.00 0.00 H new ATOM 0 HB3 LYS B 80 5.128 -12.940 -7.631 1.00 0.00 H new ATOM 0 HG2 LYS B 80 2.871 -12.396 -8.828 1.00 0.00 H new ATOM 0 HG3 LYS B 80 2.135 -13.507 -7.689 1.00 0.00 H new ATOM 0 HD2 LYS B 80 2.980 -12.180 -5.781 1.00 0.00 H new ATOM 0 HD3 LYS B 80 3.858 -11.120 -6.865 1.00 0.00 H new ATOM 0 HE2 LYS B 80 1.637 -10.547 -7.987 1.00 0.00 H new ATOM 0 HE3 LYS B 80 0.826 -11.475 -6.741 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 1.317 -8.890 -6.537 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 1.212 -9.916 -5.189 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 2.732 -9.485 -5.810 1.00 0.00 H new ATOM 1240 N VAL B 81 3.671 -13.299 -11.011 1.00 0.00 N ATOM 1241 CA VAL B 81 3.727 -12.311 -12.080 1.00 0.00 C ATOM 1242 C VAL B 81 2.475 -11.449 -12.012 1.00 0.00 C ATOM 1243 O VAL B 81 1.363 -11.968 -11.957 1.00 0.00 O ATOM 1244 CB VAL B 81 3.886 -12.974 -13.449 1.00 0.00 C ATOM 1245 CG1 VAL B 81 4.023 -11.904 -14.529 1.00 0.00 C ATOM 1246 CG2 VAL B 81 5.141 -13.850 -13.470 1.00 0.00 C ATOM 0 H VAL B 81 2.776 -13.782 -10.932 1.00 0.00 H new ATOM 0 HA VAL B 81 4.605 -11.679 -11.945 1.00 0.00 H new ATOM 0 HB VAL B 81 3.006 -13.588 -13.639 1.00 0.00 H new ATOM 0 HG11 VAL B 81 4.136 -12.382 -15.502 1.00 0.00 H new ATOM 0 HG12 VAL B 81 3.132 -11.276 -14.534 1.00 0.00 H new ATOM 0 HG13 VAL B 81 4.899 -11.289 -14.323 1.00 0.00 H new ATOM 0 HG21 VAL B 81 5.243 -14.316 -14.450 1.00 0.00 H new ATOM 0 HG22 VAL B 81 6.018 -13.235 -13.268 1.00 0.00 H new ATOM 0 HG23 VAL B 81 5.057 -14.624 -12.707 1.00 0.00 H new ATOM 1256 N GLU B 82 2.660 -10.128 -12.016 1.00 0.00 N ATOM 1257 CA GLU B 82 1.563 -9.185 -11.847 1.00 0.00 C ATOM 1258 C GLU B 82 1.981 -7.828 -12.398 1.00 0.00 C ATOM 1259 O GLU B 82 3.171 -7.584 -12.579 1.00 0.00 O ATOM 1260 CB GLU B 82 1.263 -9.084 -10.347 1.00 0.00 C ATOM 1261 CG GLU B 82 -0.001 -8.277 -10.045 1.00 0.00 C ATOM 1262 CD GLU B 82 -0.340 -8.338 -8.558 1.00 0.00 C ATOM 1263 OE1 GLU B 82 0.508 -7.900 -7.744 1.00 0.00 O ATOM 1264 OE2 GLU B 82 -1.448 -8.824 -8.238 1.00 0.00 O ATOM 0 H GLU B 82 3.572 -9.687 -12.136 1.00 0.00 H new ATOM 0 HA GLU B 82 0.673 -9.516 -12.382 1.00 0.00 H new ATOM 0 HB2 GLU B 82 1.154 -10.087 -9.935 1.00 0.00 H new ATOM 0 HB3 GLU B 82 2.112 -8.622 -9.842 1.00 0.00 H new ATOM 0 HG2 GLU B 82 0.143 -7.240 -10.348 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -0.835 -8.666 -10.629 1.00 0.00 H new ATOM 1271 N GLN B 83 1.029 -6.934 -12.668 1.00 0.00 N ATOM 1272 CA GLN B 83 1.370 -5.567 -13.024 1.00 0.00 C ATOM 1273 C GLN B 83 2.066 -4.949 -11.814 1.00 0.00 C ATOM 1274 O GLN B 83 1.608 -5.095 -10.683 1.00 0.00 O ATOM 1275 CB GLN B 83 0.096 -4.811 -13.411 1.00 0.00 C ATOM 1276 CG GLN B 83 0.251 -3.288 -13.411 1.00 0.00 C ATOM 1277 CD GLN B 83 1.201 -2.751 -14.471 1.00 0.00 C ATOM 1278 OE1 GLN B 83 1.294 -3.279 -15.578 1.00 0.00 O ATOM 1279 NE2 GLN B 83 1.909 -1.683 -14.127 1.00 0.00 N ATOM 0 H GLN B 83 0.029 -7.134 -12.646 1.00 0.00 H new ATOM 0 HA GLN B 83 2.039 -5.521 -13.883 1.00 0.00 H new ATOM 0 HB2 GLN B 83 -0.218 -5.134 -14.403 1.00 0.00 H new ATOM 0 HB3 GLN B 83 -0.701 -5.085 -12.719 1.00 0.00 H new ATOM 0 HG2 GLN B 83 -0.730 -2.836 -13.557 1.00 0.00 H new ATOM 0 HG3 GLN B 83 0.605 -2.971 -12.430 1.00 0.00 H new ATOM 0 HE21 GLN B 83 1.801 -1.277 -13.198 1.00 0.00 H new ATOM 0 HE22 GLN B 83 2.562 -1.268 -14.792 1.00 0.00 H new ATOM 1288 N ALA B 84 3.178 -4.256 -12.050 1.00 0.00 N ATOM 1289 CA ALA B 84 4.021 -3.764 -10.978 1.00 0.00 C ATOM 1290 C ALA B 84 3.460 -2.516 -10.309 1.00 0.00 C ATOM 1291 O ALA B 84 2.650 -1.790 -10.888 1.00 0.00 O ATOM 1292 CB ALA B 84 5.409 -3.458 -11.537 1.00 0.00 C ATOM 0 H ALA B 84 3.513 -4.024 -12.985 1.00 0.00 H new ATOM 0 HA ALA B 84 4.068 -4.542 -10.216 1.00 0.00 H new ATOM 0 HB1 ALA B 84 6.050 -3.087 -10.737 1.00 0.00 H new ATOM 0 HB2 ALA B 84 5.841 -4.367 -11.956 1.00 0.00 H new ATOM 0 HB3 ALA B 84 5.328 -2.701 -12.317 1.00 0.00 H new ATOM 1298 N THR B 85 3.910 -2.280 -9.076 1.00 0.00 N ATOM 1299 CA THR B 85 3.664 -1.035 -8.365 1.00 0.00 C ATOM 1300 C THR B 85 4.993 -0.355 -8.087 1.00 0.00 C ATOM 1301 O THR B 85 6.046 -0.992 -8.115 1.00 0.00 O ATOM 1302 CB THR B 85 2.919 -1.247 -7.047 1.00 0.00 C ATOM 1303 OG1 THR B 85 3.564 -2.237 -6.274 1.00 0.00 O ATOM 1304 CG2 THR B 85 1.475 -1.676 -7.301 1.00 0.00 C ATOM 0 H THR B 85 4.459 -2.955 -8.543 1.00 0.00 H new ATOM 0 HA THR B 85 3.031 -0.413 -8.998 1.00 0.00 H new ATOM 0 HB THR B 85 2.920 -0.300 -6.507 1.00 0.00 H new ATOM 0 HG1 THR B 85 3.079 -2.362 -5.432 1.00 0.00 H new ATOM 0 HG21 THR B 85 0.965 -1.821 -6.348 1.00 0.00 H new ATOM 0 HG22 THR B 85 0.961 -0.904 -7.874 1.00 0.00 H new ATOM 0 HG23 THR B 85 1.466 -2.610 -7.863 1.00 0.00 H new