USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 742 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 107 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0262) USER MOD Set 2.1: A 89 ASN :FLIP amide:sc= -0.213 F(o=-1.6,f=-0.96) USER MOD Set 2.2: A 94 TYR OH : rot 30:sc= -0.748 USER MOD Set 3.1: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.458 X(o=-0.46,f=-0.0055) USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= -0.575 (180deg=-1.06!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -3.08! C(o=-4.7!,f=-3.1!) USER MOD Single : A 34 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.17) USER MOD Single : A 35 MET CE :methyl -139:sc= -1.21 (180deg=-3.36!) USER MOD Single : A 42 LYS NZ :NH3+ -137:sc= -0.329 (180deg=-1.9!) USER MOD Single : A 44 ASN : amide:sc= -0.47 K(o=-0.47,f=-2.9!) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc=-0.00863 X(o=-0.0086,f=0.006) USER MOD Single : A 59 SER OG : rot 180:sc= -0.116 USER MOD Single : A 62 LYS NZ :NH3+ -159:sc= 0.538 (180deg=0.341) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.269 X(o=-0.27,f=0.062) USER MOD Single : A 69 THR OG1 : rot -5:sc= 1.01 USER MOD Single : A 71 MET CE :methyl 161:sc= -0.088 (180deg=-0.597) USER MOD Single : A 76 GLN : amide:sc= -6.08! C(o=-6.1!,f=-10!) USER MOD Single : A 79 GLN : amide:sc= 0.264 X(o=0.26,f=0) USER MOD Single : A 80 TYR OH : rot 30:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0.323 K(o=0.32,f=-2) USER MOD Single : A 96 MET CE :methyl 164:sc=-0.000136 (180deg=-0.442) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0494 USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 137 N MET A 13 -15.023 14.375 4.003 1.00 0.00 N ATOM 138 CA MET A 13 -15.765 14.364 2.748 1.00 0.00 C ATOM 139 C MET A 13 -16.028 12.934 2.285 1.00 0.00 C ATOM 140 O MET A 13 -15.363 11.988 2.705 1.00 0.00 O ATOM 141 CB MET A 13 -14.996 15.129 1.669 1.00 0.00 C ATOM 142 CG MET A 13 -15.340 16.608 1.612 1.00 0.00 C ATOM 143 SD MET A 13 -14.350 17.596 2.751 1.00 0.00 S ATOM 144 CE MET A 13 -15.605 18.136 3.909 1.00 0.00 C ATOM 0 HA MET A 13 -16.724 14.855 2.917 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.927 15.020 1.850 1.00 0.00 H new ATOM 0 HB3 MET A 13 -15.203 14.678 0.698 1.00 0.00 H new ATOM 0 HG2 MET A 13 -15.190 16.973 0.596 1.00 0.00 H new ATOM 0 HG3 MET A 13 -16.396 16.741 1.846 1.00 0.00 H new ATOM 0 HE1 MET A 13 -15.147 18.759 4.677 1.00 0.00 H new ATOM 0 HE2 MET A 13 -16.365 18.711 3.380 1.00 0.00 H new ATOM 0 HE3 MET A 13 -16.068 17.266 4.376 1.00 0.00 H new ATOM 154 N PRO A 14 -17.021 12.772 1.398 1.00 0.00 N ATOM 155 CA PRO A 14 -17.394 11.461 0.858 1.00 0.00 C ATOM 156 C PRO A 14 -16.333 10.897 -0.080 1.00 0.00 C ATOM 157 O PRO A 14 -15.230 11.434 -0.177 1.00 0.00 O ATOM 158 CB PRO A 14 -18.687 11.748 0.090 1.00 0.00 C ATOM 159 CG PRO A 14 -18.600 13.191 -0.272 1.00 0.00 C ATOM 160 CD PRO A 14 -17.856 13.856 0.853 1.00 0.00 C ATOM 0 HA PRO A 14 -17.505 10.714 1.644 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -18.767 11.121 -0.798 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -19.565 11.546 0.703 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -18.077 13.325 -1.219 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.593 13.624 -0.393 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.250 14.689 0.497 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -18.537 14.255 1.605 1.00 0.00 H new ATOM 168 N GLU A 15 -16.673 9.812 -0.768 1.00 0.00 N ATOM 169 CA GLU A 15 -15.748 9.175 -1.697 1.00 0.00 C ATOM 170 C GLU A 15 -15.920 9.736 -3.106 1.00 0.00 C ATOM 171 O GLU A 15 -14.942 10.047 -3.785 1.00 0.00 O ATOM 172 CB GLU A 15 -15.963 7.660 -1.710 1.00 0.00 C ATOM 173 CG GLU A 15 -14.872 6.896 -2.440 1.00 0.00 C ATOM 174 CD GLU A 15 -15.271 5.468 -2.755 1.00 0.00 C ATOM 175 OE1 GLU A 15 -16.483 5.214 -2.922 1.00 0.00 O ATOM 176 OE2 GLU A 15 -14.373 4.604 -2.836 1.00 0.00 O ATOM 0 H GLU A 15 -17.583 9.356 -0.699 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.733 9.387 -1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -16.021 7.301 -0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.923 7.442 -2.178 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.629 7.414 -3.368 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.968 6.891 -1.831 1.00 0.00 H new ATOM 183 N GLU A 16 -17.171 9.861 -3.538 1.00 0.00 N ATOM 184 CA GLU A 16 -17.471 10.383 -4.866 1.00 0.00 C ATOM 185 C GLU A 16 -16.853 11.765 -5.060 1.00 0.00 C ATOM 186 O GLU A 16 -16.045 11.972 -5.965 1.00 0.00 O ATOM 187 CB GLU A 16 -18.984 10.455 -5.080 1.00 0.00 C ATOM 188 CG GLU A 16 -19.613 9.118 -5.433 1.00 0.00 C ATOM 189 CD GLU A 16 -19.423 8.751 -6.892 1.00 0.00 C ATOM 190 OE1 GLU A 16 -18.292 8.903 -7.399 1.00 0.00 O ATOM 191 OE2 GLU A 16 -20.405 8.313 -7.527 1.00 0.00 O ATOM 0 H GLU A 16 -17.992 9.608 -2.988 1.00 0.00 H new ATOM 0 HA GLU A 16 -17.039 9.704 -5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.453 10.840 -4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.196 11.168 -5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.178 8.339 -4.807 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.679 9.151 -5.206 1.00 0.00 H new ATOM 198 N GLU A 17 -17.239 12.705 -4.204 1.00 0.00 N ATOM 199 CA GLU A 17 -16.724 14.067 -4.283 1.00 0.00 C ATOM 200 C GLU A 17 -15.200 14.068 -4.370 1.00 0.00 C ATOM 201 O GLU A 17 -14.619 14.682 -5.264 1.00 0.00 O ATOM 202 CB GLU A 17 -17.177 14.879 -3.067 1.00 0.00 C ATOM 203 CG GLU A 17 -16.778 16.343 -3.130 1.00 0.00 C ATOM 204 CD GLU A 17 -17.748 17.245 -2.392 1.00 0.00 C ATOM 205 OE1 GLU A 17 -18.029 16.970 -1.207 1.00 0.00 O ATOM 206 OE2 GLU A 17 -18.227 18.225 -3.000 1.00 0.00 O ATOM 0 H GLU A 17 -17.906 12.549 -3.448 1.00 0.00 H new ATOM 0 HA GLU A 17 -17.123 14.527 -5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -18.261 14.810 -2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.754 14.434 -2.166 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -15.781 16.463 -2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -16.719 16.655 -4.173 1.00 0.00 H new ATOM 213 N PHE A 18 -14.560 13.377 -3.433 1.00 0.00 N ATOM 214 CA PHE A 18 -13.104 13.299 -3.402 1.00 0.00 C ATOM 215 C PHE A 18 -12.533 13.214 -4.814 1.00 0.00 C ATOM 216 O PHE A 18 -11.777 14.087 -5.244 1.00 0.00 O ATOM 217 CB PHE A 18 -12.655 12.085 -2.585 1.00 0.00 C ATOM 218 CG PHE A 18 -11.192 11.774 -2.728 1.00 0.00 C ATOM 219 CD1 PHE A 18 -10.743 10.947 -3.745 1.00 0.00 C ATOM 220 CD2 PHE A 18 -10.267 12.309 -1.846 1.00 0.00 C ATOM 221 CE1 PHE A 18 -9.398 10.659 -3.880 1.00 0.00 C ATOM 222 CE2 PHE A 18 -8.921 12.025 -1.976 1.00 0.00 C ATOM 223 CZ PHE A 18 -8.486 11.198 -2.994 1.00 0.00 C ATOM 0 H PHE A 18 -15.026 12.863 -2.685 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.727 14.206 -2.931 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -12.880 12.262 -1.533 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -13.235 11.215 -2.893 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.452 10.523 -4.440 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -10.602 12.955 -1.048 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.061 10.013 -4.677 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.210 12.449 -1.283 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.435 10.974 -3.097 1.00 0.00 H new ATOM 233 N LEU A 19 -12.900 12.158 -5.532 1.00 0.00 N ATOM 234 CA LEU A 19 -12.425 11.958 -6.896 1.00 0.00 C ATOM 235 C LEU A 19 -12.581 13.233 -7.720 1.00 0.00 C ATOM 236 O LEU A 19 -11.746 13.540 -8.570 1.00 0.00 O ATOM 237 CB LEU A 19 -13.189 10.812 -7.561 1.00 0.00 C ATOM 238 CG LEU A 19 -13.181 9.478 -6.813 1.00 0.00 C ATOM 239 CD1 LEU A 19 -14.119 8.485 -7.482 1.00 0.00 C ATOM 240 CD2 LEU A 19 -11.769 8.916 -6.741 1.00 0.00 C ATOM 0 H LEU A 19 -13.525 11.427 -5.192 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.366 11.703 -6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.225 11.123 -7.698 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.771 10.651 -8.555 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.534 9.651 -5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -14.100 7.542 -6.936 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -15.133 8.885 -7.481 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.797 8.316 -8.510 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.782 7.967 -6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.388 8.758 -7.750 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.124 9.620 -6.216 1.00 0.00 H new ATOM 252 N ARG A 20 -13.655 13.972 -7.459 1.00 0.00 N ATOM 253 CA ARG A 20 -13.920 15.213 -8.176 1.00 0.00 C ATOM 254 C ARG A 20 -12.862 16.264 -7.852 1.00 0.00 C ATOM 255 O ARG A 20 -12.554 17.124 -8.677 1.00 0.00 O ATOM 256 CB ARG A 20 -15.309 15.746 -7.819 1.00 0.00 C ATOM 257 CG ARG A 20 -16.402 14.693 -7.893 1.00 0.00 C ATOM 258 CD ARG A 20 -17.029 14.637 -9.277 1.00 0.00 C ATOM 259 NE ARG A 20 -18.093 15.625 -9.437 1.00 0.00 N ATOM 260 CZ ARG A 20 -18.712 15.858 -10.589 1.00 0.00 C ATOM 261 NH1 ARG A 20 -18.376 15.178 -11.676 1.00 0.00 N ATOM 262 NH2 ARG A 20 -19.671 16.774 -10.654 1.00 0.00 N ATOM 0 H ARG A 20 -14.355 13.733 -6.757 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.883 15.001 -9.245 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -15.282 16.160 -6.811 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -15.559 16.565 -8.493 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.986 13.717 -7.641 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -17.171 14.913 -7.153 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -16.260 14.807 -10.030 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -17.431 13.639 -9.452 1.00 0.00 H new ATOM 0 HE ARG A 20 -18.376 16.165 -8.620 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.640 14.473 -11.630 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.853 15.359 -12.559 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -19.932 17.299 -9.819 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -20.146 16.953 -11.539 1.00 0.00 H new ATOM 276 N ARG A 21 -12.310 16.188 -6.645 1.00 0.00 N ATOM 277 CA ARG A 21 -11.288 17.133 -6.212 1.00 0.00 C ATOM 278 C ARG A 21 -9.892 16.540 -6.381 1.00 0.00 C ATOM 279 O ARG A 21 -9.117 16.984 -7.226 1.00 0.00 O ATOM 280 CB ARG A 21 -11.513 17.526 -4.751 1.00 0.00 C ATOM 281 CG ARG A 21 -12.406 18.744 -4.578 1.00 0.00 C ATOM 282 CD ARG A 21 -11.595 20.031 -4.560 1.00 0.00 C ATOM 283 NE ARG A 21 -12.433 21.202 -4.313 1.00 0.00 N ATOM 284 CZ ARG A 21 -11.959 22.366 -3.884 1.00 0.00 C ATOM 285 NH1 ARG A 21 -10.662 22.515 -3.655 1.00 0.00 N ATOM 286 NH2 ARG A 21 -12.785 23.386 -3.682 1.00 0.00 N ATOM 0 H ARG A 21 -12.553 15.482 -5.950 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.364 18.023 -6.837 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.956 16.683 -4.221 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.548 17.724 -4.284 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.133 18.782 -5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.969 18.655 -3.649 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.827 19.965 -3.789 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.080 20.148 -5.513 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.436 21.121 -4.479 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.024 21.734 -3.808 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.302 23.411 -3.326 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.784 23.276 -3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.421 24.280 -3.352 1.00 0.00 H new ATOM 300 N ASN A 22 -9.580 15.535 -5.569 1.00 0.00 N ATOM 301 CA ASN A 22 -8.277 14.882 -5.628 1.00 0.00 C ATOM 302 C ASN A 22 -8.285 13.742 -6.642 1.00 0.00 C ATOM 303 O ASN A 22 -9.212 12.932 -6.675 1.00 0.00 O ATOM 304 CB ASN A 22 -7.888 14.349 -4.248 1.00 0.00 C ATOM 305 CG ASN A 22 -7.842 15.442 -3.198 1.00 0.00 C ATOM 306 OD1 ASN A 22 -6.767 15.905 -2.814 1.00 0.00 O ATOM 307 ND2 ASN A 22 -9.011 15.861 -2.728 1.00 0.00 N ATOM 0 H ASN A 22 -10.211 15.155 -4.863 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.542 15.621 -5.945 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.603 13.585 -3.942 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.912 13.867 -4.310 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.043 16.595 -2.020 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.877 15.449 -3.075 1.00 0.00 H new ATOM 314 N LYS A 23 -7.246 13.684 -7.468 1.00 0.00 N ATOM 315 CA LYS A 23 -7.131 12.643 -8.482 1.00 0.00 C ATOM 316 C LYS A 23 -5.767 11.964 -8.412 1.00 0.00 C ATOM 317 O LYS A 23 -5.654 10.755 -8.609 1.00 0.00 O ATOM 318 CB LYS A 23 -7.347 13.234 -9.876 1.00 0.00 C ATOM 319 CG LYS A 23 -7.599 12.188 -10.949 1.00 0.00 C ATOM 320 CD LYS A 23 -8.998 11.605 -10.841 1.00 0.00 C ATOM 321 CE LYS A 23 -10.004 12.417 -11.642 1.00 0.00 C ATOM 322 NZ LYS A 23 -10.260 13.747 -11.024 1.00 0.00 N ATOM 0 H LYS A 23 -6.471 14.347 -7.455 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.900 11.895 -8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.194 13.920 -9.843 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.471 13.821 -10.152 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.465 12.636 -11.934 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.863 11.389 -10.860 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.993 10.575 -11.199 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.302 11.577 -9.795 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.634 12.554 -12.658 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.941 11.864 -11.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.128 14.155 -11.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.373 13.636 -9.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.458 14.380 -11.217 1.00 0.00 H new ATOM 336 N GLY A 24 -4.733 12.750 -8.130 1.00 0.00 N ATOM 337 CA GLY A 24 -3.390 12.207 -8.038 1.00 0.00 C ATOM 338 C GLY A 24 -2.662 12.233 -9.367 1.00 0.00 C ATOM 339 O GLY A 24 -3.042 12.950 -10.293 1.00 0.00 O ATOM 0 H GLY A 24 -4.801 13.754 -7.963 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.820 12.777 -7.304 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.441 11.180 -7.675 1.00 0.00 H new ATOM 343 N PRO A 25 -1.586 11.439 -9.473 1.00 0.00 N ATOM 344 CA PRO A 25 -1.124 10.582 -8.376 1.00 0.00 C ATOM 345 C PRO A 25 -0.538 11.386 -7.221 1.00 0.00 C ATOM 346 O PRO A 25 -0.013 12.482 -7.417 1.00 0.00 O ATOM 347 CB PRO A 25 -0.042 9.721 -9.032 1.00 0.00 C ATOM 348 CG PRO A 25 0.449 10.536 -10.178 1.00 0.00 C ATOM 349 CD PRO A 25 -0.739 11.315 -10.670 1.00 0.00 C ATOM 0 HA PRO A 25 -1.938 10.006 -7.937 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.763 9.496 -8.332 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.446 8.767 -9.370 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.252 11.204 -9.866 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.852 9.899 -10.966 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.447 12.291 -11.058 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.256 10.793 -11.476 1.00 0.00 H new ATOM 357 N VAL A 26 -0.631 10.834 -6.015 1.00 0.00 N ATOM 358 CA VAL A 26 -0.108 11.499 -4.827 1.00 0.00 C ATOM 359 C VAL A 26 1.220 10.888 -4.395 1.00 0.00 C ATOM 360 O VAL A 26 1.360 9.667 -4.326 1.00 0.00 O ATOM 361 CB VAL A 26 -1.104 11.418 -3.655 1.00 0.00 C ATOM 362 CG1 VAL A 26 -2.384 12.167 -3.989 1.00 0.00 C ATOM 363 CG2 VAL A 26 -1.401 9.966 -3.308 1.00 0.00 C ATOM 0 H VAL A 26 -1.064 9.928 -5.835 1.00 0.00 H new ATOM 0 HA VAL A 26 0.046 12.545 -5.091 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.652 11.891 -2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.075 12.099 -3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.152 13.214 -4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.843 11.726 -4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.106 9.927 -2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.833 9.466 -4.175 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.477 9.464 -3.022 1.00 0.00 H new ATOM 373 N SER A 27 2.193 11.745 -4.104 1.00 0.00 N ATOM 374 CA SER A 27 3.512 11.290 -3.681 1.00 0.00 C ATOM 375 C SER A 27 3.563 11.104 -2.168 1.00 0.00 C ATOM 376 O SER A 27 3.591 12.076 -1.412 1.00 0.00 O ATOM 377 CB SER A 27 4.584 12.290 -4.120 1.00 0.00 C ATOM 378 OG SER A 27 4.964 12.072 -5.468 1.00 0.00 O ATOM 0 H SER A 27 2.093 12.759 -4.153 1.00 0.00 H new ATOM 0 HA SER A 27 3.707 10.328 -4.154 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.207 13.306 -4.005 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.457 12.199 -3.474 1.00 0.00 H new ATOM 0 HG SER A 27 5.649 12.725 -5.725 1.00 0.00 H new ATOM 384 N ILE A 28 3.574 9.848 -1.733 1.00 0.00 N ATOM 385 CA ILE A 28 3.623 9.533 -0.311 1.00 0.00 C ATOM 386 C ILE A 28 4.985 8.971 0.082 1.00 0.00 C ATOM 387 O ILE A 28 5.598 8.215 -0.672 1.00 0.00 O ATOM 388 CB ILE A 28 2.530 8.520 0.079 1.00 0.00 C ATOM 389 CG1 ILE A 28 2.887 7.127 -0.442 1.00 0.00 C ATOM 390 CG2 ILE A 28 1.179 8.964 -0.461 1.00 0.00 C ATOM 391 CD1 ILE A 28 3.710 6.310 0.529 1.00 0.00 C ATOM 0 H ILE A 28 3.550 9.033 -2.345 1.00 0.00 H new ATOM 0 HA ILE A 28 3.450 10.466 0.225 1.00 0.00 H new ATOM 0 HB ILE A 28 2.467 8.476 1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.968 6.587 -0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.438 7.228 -1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.417 8.238 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.924 9.939 -0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.227 9.034 -1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.925 5.335 0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.646 6.828 0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.153 6.177 1.456 1.00 0.00 H new ATOM 403 N LYS A 29 5.453 9.344 1.268 1.00 0.00 N ATOM 404 CA LYS A 29 6.742 8.875 1.764 1.00 0.00 C ATOM 405 C LYS A 29 6.557 7.888 2.912 1.00 0.00 C ATOM 406 O LYS A 29 5.830 8.161 3.867 1.00 0.00 O ATOM 407 CB LYS A 29 7.594 10.059 2.228 1.00 0.00 C ATOM 408 CG LYS A 29 9.089 9.799 2.152 1.00 0.00 C ATOM 409 CD LYS A 29 9.845 10.579 3.214 1.00 0.00 C ATOM 410 CE LYS A 29 9.684 9.949 4.589 1.00 0.00 C ATOM 411 NZ LYS A 29 10.364 10.745 5.648 1.00 0.00 N ATOM 0 H LYS A 29 4.959 9.970 1.904 1.00 0.00 H new ATOM 0 HA LYS A 29 7.253 8.364 0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.354 10.930 1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.328 10.306 3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.281 8.733 2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.458 10.076 1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.903 10.620 2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.483 11.607 3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.624 9.861 4.826 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.093 8.939 4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.231 10.282 6.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.380 10.808 5.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.957 11.701 5.679 1.00 0.00 H new ATOM 425 N VAL A 30 7.220 6.741 2.813 1.00 0.00 N ATOM 426 CA VAL A 30 7.130 5.714 3.844 1.00 0.00 C ATOM 427 C VAL A 30 8.359 5.733 4.747 1.00 0.00 C ATOM 428 O VAL A 30 9.448 5.333 4.336 1.00 0.00 O ATOM 429 CB VAL A 30 6.981 4.311 3.228 1.00 0.00 C ATOM 430 CG1 VAL A 30 7.002 3.245 4.313 1.00 0.00 C ATOM 431 CG2 VAL A 30 5.703 4.222 2.408 1.00 0.00 C ATOM 0 H VAL A 30 7.826 6.499 2.029 1.00 0.00 H new ATOM 0 HA VAL A 30 6.243 5.938 4.437 1.00 0.00 H new ATOM 0 HB VAL A 30 7.826 4.135 2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.895 2.260 3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.947 3.295 4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.178 3.415 5.006 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.614 3.223 1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.844 4.420 3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.733 4.959 1.606 1.00 0.00 H new ATOM 441 N GLN A 31 8.175 6.200 5.977 1.00 0.00 N ATOM 442 CA GLN A 31 9.270 6.271 6.938 1.00 0.00 C ATOM 443 C GLN A 31 9.636 4.881 7.449 1.00 0.00 C ATOM 444 O GLN A 31 8.983 4.346 8.345 1.00 0.00 O ATOM 445 CB GLN A 31 8.888 7.174 8.112 1.00 0.00 C ATOM 446 CG GLN A 31 10.037 7.447 9.069 1.00 0.00 C ATOM 447 CD GLN A 31 10.429 6.224 9.874 1.00 0.00 C ATOM 448 OE1 GLN A 31 11.635 5.721 9.639 1.00 0.00 O flip ATOM 449 NE2 GLN A 31 9.656 5.736 10.699 1.00 0.00 N flip ATOM 0 H GLN A 31 7.279 6.535 6.332 1.00 0.00 H new ATOM 0 HA GLN A 31 10.138 6.693 6.432 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.516 8.122 7.724 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.069 6.712 8.663 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.901 7.797 8.503 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.755 8.250 9.750 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.738 6.155 10.848 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.934 4.913 11.234 1.00 0.00 H new ATOM 458 N VAL A 32 10.685 4.302 6.874 1.00 0.00 N ATOM 459 CA VAL A 32 11.140 2.975 7.271 1.00 0.00 C ATOM 460 C VAL A 32 12.102 3.055 8.451 1.00 0.00 C ATOM 461 O VAL A 32 13.210 3.581 8.346 1.00 0.00 O ATOM 462 CB VAL A 32 11.834 2.247 6.105 1.00 0.00 C ATOM 463 CG1 VAL A 32 12.287 0.860 6.535 1.00 0.00 C ATOM 464 CG2 VAL A 32 10.906 2.164 4.902 1.00 0.00 C ATOM 0 H VAL A 32 11.236 4.732 6.131 1.00 0.00 H new ATOM 0 HA VAL A 32 10.255 2.411 7.565 1.00 0.00 H new ATOM 0 HB VAL A 32 12.716 2.818 5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.775 0.361 5.698 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.989 0.947 7.365 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.422 0.277 6.851 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.412 1.647 4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.004 1.616 5.175 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.636 3.170 4.581 1.00 0.00 H new ATOM 474 N PRO A 33 11.671 2.519 9.603 1.00 0.00 N ATOM 475 CA PRO A 33 12.480 2.516 10.825 1.00 0.00 C ATOM 476 C PRO A 33 13.679 1.579 10.724 1.00 0.00 C ATOM 477 O PRO A 33 13.913 0.964 9.685 1.00 0.00 O ATOM 478 CB PRO A 33 11.504 2.021 11.895 1.00 0.00 C ATOM 479 CG PRO A 33 10.496 1.219 11.147 1.00 0.00 C ATOM 480 CD PRO A 33 10.362 1.875 9.800 1.00 0.00 C ATOM 0 HA PRO A 33 12.903 3.498 11.036 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.013 1.416 12.646 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.037 2.854 12.420 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.819 0.183 11.046 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.541 1.206 11.671 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.151 1.146 9.017 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.550 2.602 9.786 1.00 0.00 H new ATOM 488 N ASN A 34 14.436 1.474 11.812 1.00 0.00 N ATOM 489 CA ASN A 34 15.611 0.612 11.846 1.00 0.00 C ATOM 490 C ASN A 34 15.442 -0.500 12.877 1.00 0.00 C ATOM 491 O ASN A 34 15.465 -0.251 14.082 1.00 0.00 O ATOM 492 CB ASN A 34 16.863 1.432 12.165 1.00 0.00 C ATOM 493 CG ASN A 34 17.915 0.621 12.896 1.00 0.00 C ATOM 494 OD1 ASN A 34 18.451 -0.349 12.360 1.00 0.00 O ATOM 495 ND2 ASN A 34 18.215 1.016 14.128 1.00 0.00 N ATOM 0 H ASN A 34 14.256 1.976 12.682 1.00 0.00 H new ATOM 0 HA ASN A 34 15.724 0.157 10.862 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.286 1.819 11.238 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.585 2.293 12.773 1.00 0.00 H new ATOM 0 HD21 ASN A 34 18.915 0.509 14.670 1.00 0.00 H new ATOM 0 HD22 ASN A 34 17.745 1.826 14.532 1.00 0.00 H new ATOM 502 N MET A 35 15.271 -1.726 12.395 1.00 0.00 N ATOM 503 CA MET A 35 15.099 -2.876 13.275 1.00 0.00 C ATOM 504 C MET A 35 16.408 -3.645 13.426 1.00 0.00 C ATOM 505 O MET A 35 16.823 -4.364 12.519 1.00 0.00 O ATOM 506 CB MET A 35 14.009 -3.803 12.732 1.00 0.00 C ATOM 507 CG MET A 35 12.612 -3.445 13.212 1.00 0.00 C ATOM 508 SD MET A 35 12.259 -1.683 13.069 1.00 0.00 S ATOM 509 CE MET A 35 10.511 -1.656 13.459 1.00 0.00 C ATOM 0 H MET A 35 15.248 -1.949 11.400 1.00 0.00 H new ATOM 0 HA MET A 35 14.798 -2.509 14.256 1.00 0.00 H new ATOM 0 HB2 MET A 35 14.028 -3.774 11.643 1.00 0.00 H new ATOM 0 HB3 MET A 35 14.234 -4.828 13.028 1.00 0.00 H new ATOM 0 HG2 MET A 35 11.878 -4.007 12.634 1.00 0.00 H new ATOM 0 HG3 MET A 35 12.500 -3.751 14.252 1.00 0.00 H new ATOM 0 HE1 MET A 35 10.000 -0.963 12.790 1.00 0.00 H new ATOM 0 HE2 MET A 35 10.095 -2.656 13.334 1.00 0.00 H new ATOM 0 HE3 MET A 35 10.373 -1.333 14.491 1.00 0.00 H new ATOM 584 N GLU A 40 14.043 -10.360 9.918 1.00 0.00 N ATOM 585 CA GLU A 40 14.120 -10.634 8.487 1.00 0.00 C ATOM 586 C GLU A 40 13.426 -9.536 7.686 1.00 0.00 C ATOM 587 O GLU A 40 12.781 -9.806 6.673 1.00 0.00 O ATOM 588 CB GLU A 40 13.487 -11.990 8.170 1.00 0.00 C ATOM 589 CG GLU A 40 12.000 -12.055 8.478 1.00 0.00 C ATOM 590 CD GLU A 40 11.719 -12.283 9.950 1.00 0.00 C ATOM 591 OE1 GLU A 40 11.909 -13.424 10.422 1.00 0.00 O ATOM 592 OE2 GLU A 40 11.309 -11.320 10.632 1.00 0.00 O ATOM 0 HA GLU A 40 15.172 -10.658 8.203 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.641 -12.216 7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.002 -12.764 8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.526 -11.126 8.161 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.547 -12.858 7.897 1.00 0.00 H new ATOM 599 N TRP A 41 13.564 -8.298 8.147 1.00 0.00 N ATOM 600 CA TRP A 41 12.950 -7.159 7.474 1.00 0.00 C ATOM 601 C TRP A 41 14.000 -6.120 7.097 1.00 0.00 C ATOM 602 O TRP A 41 14.811 -5.712 7.928 1.00 0.00 O ATOM 603 CB TRP A 41 11.884 -6.525 8.369 1.00 0.00 C ATOM 604 CG TRP A 41 10.869 -7.507 8.870 1.00 0.00 C ATOM 605 CD1 TRP A 41 10.461 -8.653 8.250 1.00 0.00 C ATOM 606 CD2 TRP A 41 10.132 -7.427 10.095 1.00 0.00 C ATOM 607 NE1 TRP A 41 9.515 -9.290 9.015 1.00 0.00 N ATOM 608 CE2 TRP A 41 9.296 -8.559 10.152 1.00 0.00 C ATOM 609 CE3 TRP A 41 10.098 -6.511 11.149 1.00 0.00 C ATOM 610 CZ2 TRP A 41 8.437 -8.796 11.222 1.00 0.00 C ATOM 611 CZ3 TRP A 41 9.245 -6.747 12.210 1.00 0.00 C ATOM 612 CH2 TRP A 41 8.424 -7.882 12.241 1.00 0.00 C ATOM 0 H TRP A 41 14.095 -8.057 8.984 1.00 0.00 H new ATOM 0 HA TRP A 41 12.478 -7.519 6.560 1.00 0.00 H new ATOM 0 HB2 TRP A 41 12.371 -6.050 9.221 1.00 0.00 H new ATOM 0 HB3 TRP A 41 11.374 -5.738 7.813 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.828 -9.007 7.298 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.051 -10.166 8.775 1.00 0.00 H new ATOM 0 HE3 TRP A 41 10.728 -5.634 11.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.803 -9.670 11.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.210 -6.045 13.030 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.768 -8.039 13.085 1.00 0.00 H new ATOM 623 N LYS A 42 13.979 -5.693 5.838 1.00 0.00 N ATOM 624 CA LYS A 42 14.928 -4.699 5.351 1.00 0.00 C ATOM 625 C LYS A 42 14.622 -3.324 5.934 1.00 0.00 C ATOM 626 O LYS A 42 14.188 -2.418 5.221 1.00 0.00 O ATOM 627 CB LYS A 42 14.892 -4.637 3.822 1.00 0.00 C ATOM 628 CG LYS A 42 15.384 -5.906 3.149 1.00 0.00 C ATOM 629 CD LYS A 42 15.417 -5.760 1.637 1.00 0.00 C ATOM 630 CE LYS A 42 16.626 -4.957 1.181 1.00 0.00 C ATOM 631 NZ LYS A 42 16.329 -3.499 1.112 1.00 0.00 N ATOM 0 H LYS A 42 13.315 -6.020 5.137 1.00 0.00 H new ATOM 0 HA LYS A 42 15.926 -4.996 5.673 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.870 -4.437 3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.502 -3.798 3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 42 16.382 -6.148 3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 42 14.734 -6.738 3.421 1.00 0.00 H new ATOM 0 HD2 LYS A 42 15.439 -6.747 1.175 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.504 -5.270 1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 42 17.455 -5.127 1.868 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.947 -5.309 0.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 16.737 -3.102 0.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.299 -3.354 1.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.743 -3.021 1.938 1.00 0.00 H new ATOM 645 N LEU A 43 14.853 -3.172 7.233 1.00 0.00 N ATOM 646 CA LEU A 43 14.604 -1.905 7.912 1.00 0.00 C ATOM 647 C LEU A 43 15.904 -1.304 8.437 1.00 0.00 C ATOM 648 O LEU A 43 16.404 -1.703 9.487 1.00 0.00 O ATOM 649 CB LEU A 43 13.620 -2.108 9.066 1.00 0.00 C ATOM 650 CG LEU A 43 12.363 -2.916 8.743 1.00 0.00 C ATOM 651 CD1 LEU A 43 11.746 -3.476 10.015 1.00 0.00 C ATOM 652 CD2 LEU A 43 11.355 -2.057 7.993 1.00 0.00 C ATOM 0 H LEU A 43 15.213 -3.911 7.838 1.00 0.00 H new ATOM 0 HA LEU A 43 14.171 -1.213 7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.146 -2.603 9.882 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.314 -1.128 9.432 1.00 0.00 H new ATOM 0 HG LEU A 43 12.646 -3.752 8.103 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.852 -4.048 9.765 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.465 -4.126 10.513 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.477 -2.656 10.681 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.467 -2.648 7.771 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.077 -1.201 8.608 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.798 -1.705 7.061 1.00 0.00 H new ATOM 664 N ASN A 44 16.443 -0.339 7.698 1.00 0.00 N ATOM 665 CA ASN A 44 17.684 0.319 8.090 1.00 0.00 C ATOM 666 C ASN A 44 17.573 1.832 7.927 1.00 0.00 C ATOM 667 O ASN A 44 18.206 2.421 7.052 1.00 0.00 O ATOM 668 CB ASN A 44 18.852 -0.210 7.255 1.00 0.00 C ATOM 669 CG ASN A 44 19.176 -1.659 7.567 1.00 0.00 C ATOM 670 OD1 ASN A 44 18.326 -2.539 7.434 1.00 0.00 O ATOM 671 ND2 ASN A 44 20.411 -1.912 7.986 1.00 0.00 N ATOM 0 H ASN A 44 16.040 0.004 6.826 1.00 0.00 H new ATOM 0 HA ASN A 44 17.867 0.097 9.141 1.00 0.00 H new ATOM 0 HB2 ASN A 44 18.611 -0.114 6.196 1.00 0.00 H new ATOM 0 HB3 ASN A 44 19.734 0.404 7.438 1.00 0.00 H new ATOM 0 HD21 ASN A 44 20.687 -2.868 8.212 1.00 0.00 H new ATOM 0 HD22 ASN A 44 21.083 -1.151 8.082 1.00 0.00 H new ATOM 678 N GLY A 45 16.761 2.455 8.776 1.00 0.00 N ATOM 679 CA GLY A 45 16.581 3.894 8.710 1.00 0.00 C ATOM 680 C GLY A 45 16.632 4.419 7.289 1.00 0.00 C ATOM 681 O GLY A 45 17.687 4.838 6.813 1.00 0.00 O ATOM 0 H GLY A 45 16.225 1.989 9.508 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.623 4.158 9.158 1.00 0.00 H new ATOM 0 HA3 GLY A 45 17.355 4.382 9.302 1.00 0.00 H new ATOM 685 N GLN A 46 15.489 4.396 6.610 1.00 0.00 N ATOM 686 CA GLN A 46 15.409 4.872 5.234 1.00 0.00 C ATOM 687 C GLN A 46 13.990 5.316 4.894 1.00 0.00 C ATOM 688 O GLN A 46 13.080 5.200 5.712 1.00 0.00 O ATOM 689 CB GLN A 46 15.859 3.776 4.266 1.00 0.00 C ATOM 690 CG GLN A 46 14.927 2.576 4.229 1.00 0.00 C ATOM 691 CD GLN A 46 15.335 1.551 3.189 1.00 0.00 C ATOM 692 OE1 GLN A 46 16.301 1.749 2.452 1.00 0.00 O ATOM 693 NE2 GLN A 46 14.601 0.447 3.125 1.00 0.00 N ATOM 0 H GLN A 46 14.607 4.053 6.990 1.00 0.00 H new ATOM 0 HA GLN A 46 16.073 5.731 5.133 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.935 4.197 3.264 1.00 0.00 H new ATOM 0 HB3 GLN A 46 16.857 3.441 4.548 1.00 0.00 H new ATOM 0 HG2 GLN A 46 14.910 2.104 5.211 1.00 0.00 H new ATOM 0 HG3 GLN A 46 13.912 2.915 4.020 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.809 0.324 3.755 1.00 0.00 H new ATOM 0 HE22 GLN A 46 14.829 -0.279 2.445 1.00 0.00 H new ATOM 702 N GLY A 47 13.810 5.827 3.679 1.00 0.00 N ATOM 703 CA GLY A 47 12.500 6.281 3.252 1.00 0.00 C ATOM 704 C GLY A 47 12.130 5.771 1.873 1.00 0.00 C ATOM 705 O GLY A 47 12.911 5.892 0.928 1.00 0.00 O ATOM 0 H GLY A 47 14.548 5.934 2.984 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.752 5.949 3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.479 7.371 3.250 1.00 0.00 H new ATOM 709 N LEU A 48 10.938 5.198 1.757 1.00 0.00 N ATOM 710 CA LEU A 48 10.466 4.666 0.483 1.00 0.00 C ATOM 711 C LEU A 48 9.290 5.481 -0.046 1.00 0.00 C ATOM 712 O LEU A 48 8.253 5.590 0.608 1.00 0.00 O ATOM 713 CB LEU A 48 10.056 3.201 0.641 1.00 0.00 C ATOM 714 CG LEU A 48 11.102 2.273 1.259 1.00 0.00 C ATOM 715 CD1 LEU A 48 10.514 0.892 1.503 1.00 0.00 C ATOM 716 CD2 LEU A 48 12.330 2.182 0.364 1.00 0.00 C ATOM 0 H LEU A 48 10.280 5.090 2.529 1.00 0.00 H new ATOM 0 HA LEU A 48 11.283 4.733 -0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.156 3.161 1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.789 2.811 -0.341 1.00 0.00 H new ATOM 0 HG LEU A 48 11.407 2.690 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.273 0.246 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.667 0.972 2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.180 0.467 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.064 1.517 0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.041 1.790 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.765 3.174 0.242 1.00 0.00 H new ATOM 728 N VAL A 49 9.459 6.050 -1.235 1.00 0.00 N ATOM 729 CA VAL A 49 8.410 6.853 -1.854 1.00 0.00 C ATOM 730 C VAL A 49 7.803 6.133 -3.053 1.00 0.00 C ATOM 731 O VAL A 49 8.494 5.411 -3.773 1.00 0.00 O ATOM 732 CB VAL A 49 8.947 8.223 -2.309 1.00 0.00 C ATOM 733 CG1 VAL A 49 7.802 9.136 -2.719 1.00 0.00 C ATOM 734 CG2 VAL A 49 9.781 8.861 -1.208 1.00 0.00 C ATOM 0 H VAL A 49 10.312 5.970 -1.789 1.00 0.00 H new ATOM 0 HA VAL A 49 7.640 7.006 -1.098 1.00 0.00 H new ATOM 0 HB VAL A 49 9.588 8.072 -3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.201 10.099 -3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.251 8.681 -3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.132 9.283 -1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.152 9.828 -1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.165 9.000 -0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.624 8.213 -0.968 1.00 0.00 H new ATOM 744 N PHE A 50 6.507 6.336 -3.264 1.00 0.00 N ATOM 745 CA PHE A 50 5.805 5.706 -4.376 1.00 0.00 C ATOM 746 C PHE A 50 4.692 6.609 -4.898 1.00 0.00 C ATOM 747 O PHE A 50 3.837 7.064 -4.137 1.00 0.00 O ATOM 748 CB PHE A 50 5.224 4.359 -3.943 1.00 0.00 C ATOM 749 CG PHE A 50 6.235 3.445 -3.312 1.00 0.00 C ATOM 750 CD1 PHE A 50 7.320 2.982 -4.039 1.00 0.00 C ATOM 751 CD2 PHE A 50 6.100 3.048 -1.991 1.00 0.00 C ATOM 752 CE1 PHE A 50 8.253 2.142 -3.460 1.00 0.00 C ATOM 753 CE2 PHE A 50 7.030 2.208 -1.407 1.00 0.00 C ATOM 754 CZ PHE A 50 8.107 1.753 -2.143 1.00 0.00 C ATOM 0 H PHE A 50 5.921 6.932 -2.679 1.00 0.00 H new ATOM 0 HA PHE A 50 6.523 5.542 -5.180 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.412 4.533 -3.237 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.790 3.863 -4.811 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.438 3.281 -5.070 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.259 3.399 -1.411 1.00 0.00 H new ATOM 0 HE1 PHE A 50 9.095 1.790 -4.037 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.915 1.908 -0.376 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.833 1.095 -1.689 1.00 0.00 H new ATOM 764 N THR A 51 4.708 6.866 -6.202 1.00 0.00 N ATOM 765 CA THR A 51 3.702 7.715 -6.827 1.00 0.00 C ATOM 766 C THR A 51 2.558 6.885 -7.397 1.00 0.00 C ATOM 767 O THR A 51 2.697 6.257 -8.448 1.00 0.00 O ATOM 768 CB THR A 51 4.310 8.572 -7.953 1.00 0.00 C ATOM 769 OG1 THR A 51 5.524 9.185 -7.502 1.00 0.00 O ATOM 770 CG2 THR A 51 3.332 9.645 -8.406 1.00 0.00 C ATOM 0 H THR A 51 5.408 6.498 -6.846 1.00 0.00 H new ATOM 0 HA THR A 51 3.317 8.373 -6.048 1.00 0.00 H new ATOM 0 HB THR A 51 4.526 7.919 -8.799 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.905 9.727 -8.224 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.784 10.237 -9.202 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.421 9.174 -8.777 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.088 10.294 -7.565 1.00 0.00 H new ATOM 778 N LEU A 52 1.428 6.886 -6.699 1.00 0.00 N ATOM 779 CA LEU A 52 0.258 6.132 -7.137 1.00 0.00 C ATOM 780 C LEU A 52 -1.028 6.888 -6.818 1.00 0.00 C ATOM 781 O LEU A 52 -1.158 7.527 -5.774 1.00 0.00 O ATOM 782 CB LEU A 52 0.234 4.756 -6.469 1.00 0.00 C ATOM 783 CG LEU A 52 1.587 4.064 -6.309 1.00 0.00 C ATOM 784 CD1 LEU A 52 1.495 2.939 -5.289 1.00 0.00 C ATOM 785 CD2 LEU A 52 2.076 3.532 -7.648 1.00 0.00 C ATOM 0 H LEU A 52 1.297 7.400 -5.828 1.00 0.00 H new ATOM 0 HA LEU A 52 0.323 6.003 -8.217 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.217 4.861 -5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.419 4.104 -7.049 1.00 0.00 H new ATOM 0 HG LEU A 52 2.307 4.798 -5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.468 2.458 -5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.190 3.346 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.760 2.206 -5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.041 3.043 -7.515 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.356 2.814 -8.039 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.183 4.358 -8.351 1.00 0.00 H new ATOM 797 N PRO A 53 -2.003 6.812 -7.736 1.00 0.00 N ATOM 798 CA PRO A 53 -3.297 7.481 -7.573 1.00 0.00 C ATOM 799 C PRO A 53 -4.145 6.844 -6.478 1.00 0.00 C ATOM 800 O PRO A 53 -3.790 5.798 -5.933 1.00 0.00 O ATOM 801 CB PRO A 53 -3.964 7.300 -8.939 1.00 0.00 C ATOM 802 CG PRO A 53 -3.332 6.078 -9.510 1.00 0.00 C ATOM 803 CD PRO A 53 -1.917 6.068 -9.003 1.00 0.00 C ATOM 0 HA PRO A 53 -3.182 8.523 -7.274 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.043 7.178 -8.840 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.798 8.167 -9.578 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.865 5.180 -9.197 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.356 6.099 -10.600 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.553 5.052 -8.849 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.235 6.548 -9.705 1.00 0.00 H new ATOM 811 N LEU A 54 -5.267 7.480 -6.160 1.00 0.00 N ATOM 812 CA LEU A 54 -6.167 6.974 -5.129 1.00 0.00 C ATOM 813 C LEU A 54 -7.419 6.363 -5.751 1.00 0.00 C ATOM 814 O LEU A 54 -8.443 7.031 -5.898 1.00 0.00 O ATOM 815 CB LEU A 54 -6.558 8.099 -4.169 1.00 0.00 C ATOM 816 CG LEU A 54 -5.402 8.856 -3.515 1.00 0.00 C ATOM 817 CD1 LEU A 54 -4.999 10.052 -4.363 1.00 0.00 C ATOM 818 CD2 LEU A 54 -5.781 9.299 -2.110 1.00 0.00 C ATOM 0 H LEU A 54 -5.575 8.347 -6.601 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.643 6.196 -4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.174 8.816 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.181 7.677 -3.381 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.547 8.183 -3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.175 10.578 -3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.684 9.710 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.849 10.727 -4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.946 9.836 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.651 9.954 -2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.018 8.424 -1.504 1.00 0.00 H new ATOM 830 N THR A 55 -7.331 5.087 -6.114 1.00 0.00 N ATOM 831 CA THR A 55 -8.456 4.385 -6.718 1.00 0.00 C ATOM 832 C THR A 55 -8.761 3.091 -5.973 1.00 0.00 C ATOM 833 O THR A 55 -9.914 2.666 -5.893 1.00 0.00 O ATOM 834 CB THR A 55 -8.184 4.059 -8.199 1.00 0.00 C ATOM 835 OG1 THR A 55 -6.848 3.568 -8.356 1.00 0.00 O ATOM 836 CG2 THR A 55 -8.382 5.291 -9.069 1.00 0.00 C ATOM 0 H THR A 55 -6.492 4.519 -6.000 1.00 0.00 H new ATOM 0 HA THR A 55 -9.317 5.051 -6.651 1.00 0.00 H new ATOM 0 HB THR A 55 -8.891 3.292 -8.515 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.684 3.362 -9.300 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.184 5.037 -10.110 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.408 5.645 -8.970 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.695 6.075 -8.751 1.00 0.00 H new ATOM 844 N ASP A 56 -7.722 2.468 -5.427 1.00 0.00 N ATOM 845 CA ASP A 56 -7.880 1.223 -4.686 1.00 0.00 C ATOM 846 C ASP A 56 -7.744 1.462 -3.185 1.00 0.00 C ATOM 847 O ASP A 56 -7.623 2.602 -2.738 1.00 0.00 O ATOM 848 CB ASP A 56 -6.845 0.195 -5.147 1.00 0.00 C ATOM 849 CG ASP A 56 -7.350 -0.662 -6.291 1.00 0.00 C ATOM 850 OD1 ASP A 56 -7.969 -0.105 -7.221 1.00 0.00 O ATOM 851 OD2 ASP A 56 -7.128 -1.891 -6.255 1.00 0.00 O ATOM 0 H ASP A 56 -6.761 2.806 -5.484 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.879 0.836 -4.885 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.937 0.712 -5.458 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.575 -0.446 -4.308 1.00 0.00 H new ATOM 856 N GLN A 57 -7.765 0.380 -2.414 1.00 0.00 N ATOM 857 CA GLN A 57 -7.646 0.474 -0.964 1.00 0.00 C ATOM 858 C GLN A 57 -6.200 0.732 -0.552 1.00 0.00 C ATOM 859 O GLN A 57 -5.322 0.895 -1.400 1.00 0.00 O ATOM 860 CB GLN A 57 -8.154 -0.810 -0.305 1.00 0.00 C ATOM 861 CG GLN A 57 -9.658 -0.998 -0.419 1.00 0.00 C ATOM 862 CD GLN A 57 -10.115 -2.360 0.065 1.00 0.00 C ATOM 863 OE1 GLN A 57 -10.889 -2.466 1.016 1.00 0.00 O ATOM 864 NE2 GLN A 57 -9.636 -3.412 -0.589 1.00 0.00 N ATOM 0 H GLN A 57 -7.863 -0.571 -2.769 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.256 1.313 -0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.654 -1.665 -0.760 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.876 -0.802 0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.162 -0.223 0.159 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.959 -0.866 -1.458 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.996 -3.278 -1.372 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.908 -4.354 -0.308 1.00 0.00 H new ATOM 873 N VAL A 58 -5.959 0.769 0.754 1.00 0.00 N ATOM 874 CA VAL A 58 -4.620 1.007 1.279 1.00 0.00 C ATOM 875 C VAL A 58 -3.726 -0.212 1.077 1.00 0.00 C ATOM 876 O VAL A 58 -2.506 -0.130 1.220 1.00 0.00 O ATOM 877 CB VAL A 58 -4.658 1.359 2.778 1.00 0.00 C ATOM 878 CG1 VAL A 58 -3.251 1.575 3.312 1.00 0.00 C ATOM 879 CG2 VAL A 58 -5.522 2.589 3.014 1.00 0.00 C ATOM 0 H VAL A 58 -6.674 0.637 1.469 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.209 1.852 0.726 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.101 0.523 3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.298 1.823 4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.667 0.664 3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.777 2.393 2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.538 2.824 4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.110 3.434 2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.538 2.392 2.671 1.00 0.00 H new ATOM 889 N SER A 59 -4.342 -1.341 0.742 1.00 0.00 N ATOM 890 CA SER A 59 -3.602 -2.579 0.523 1.00 0.00 C ATOM 891 C SER A 59 -2.570 -2.406 -0.587 1.00 0.00 C ATOM 892 O SER A 59 -1.402 -2.758 -0.425 1.00 0.00 O ATOM 893 CB SER A 59 -4.562 -3.716 0.170 1.00 0.00 C ATOM 894 OG SER A 59 -5.273 -3.431 -1.023 1.00 0.00 O ATOM 0 H SER A 59 -5.351 -1.424 0.616 1.00 0.00 H new ATOM 0 HA SER A 59 -3.079 -2.829 1.446 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.003 -4.644 0.051 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.265 -3.870 0.988 1.00 0.00 H new ATOM 0 HG SER A 59 -5.879 -4.174 -1.228 1.00 0.00 H new ATOM 900 N VAL A 60 -3.011 -1.861 -1.716 1.00 0.00 N ATOM 901 CA VAL A 60 -2.127 -1.640 -2.854 1.00 0.00 C ATOM 902 C VAL A 60 -0.823 -0.981 -2.418 1.00 0.00 C ATOM 903 O VAL A 60 0.217 -1.159 -3.052 1.00 0.00 O ATOM 904 CB VAL A 60 -2.800 -0.760 -3.925 1.00 0.00 C ATOM 905 CG1 VAL A 60 -3.957 -1.503 -4.576 1.00 0.00 C ATOM 906 CG2 VAL A 60 -3.272 0.552 -3.317 1.00 0.00 C ATOM 0 H VAL A 60 -3.975 -1.564 -1.867 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.911 -2.619 -3.281 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.066 -0.532 -4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.420 -0.866 -5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.586 -2.413 -5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.695 -1.763 -3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.745 1.161 -4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.991 0.348 -2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.419 1.089 -2.903 1.00 0.00 H new ATOM 916 N ILE A 61 -0.886 -0.220 -1.330 1.00 0.00 N ATOM 917 CA ILE A 61 0.290 0.464 -0.807 1.00 0.00 C ATOM 918 C ILE A 61 1.195 -0.501 -0.049 1.00 0.00 C ATOM 919 O ILE A 61 2.409 -0.522 -0.253 1.00 0.00 O ATOM 920 CB ILE A 61 -0.102 1.624 0.127 1.00 0.00 C ATOM 921 CG1 ILE A 61 -0.987 2.628 -0.615 1.00 0.00 C ATOM 922 CG2 ILE A 61 1.142 2.308 0.673 1.00 0.00 C ATOM 923 CD1 ILE A 61 -1.687 3.608 0.300 1.00 0.00 C ATOM 0 H ILE A 61 -1.739 -0.062 -0.794 1.00 0.00 H new ATOM 0 HA ILE A 61 0.829 0.866 -1.665 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.668 1.220 0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.376 3.182 -1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.735 2.084 -1.192 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.848 3.126 1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.737 1.587 1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.733 2.702 -0.154 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.296 4.289 -0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.325 3.064 0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.945 4.179 0.858 1.00 0.00 H new ATOM 935 N LYS A 62 0.596 -1.301 0.826 1.00 0.00 N ATOM 936 CA LYS A 62 1.346 -2.272 1.614 1.00 0.00 C ATOM 937 C LYS A 62 2.138 -3.211 0.710 1.00 0.00 C ATOM 938 O LYS A 62 3.290 -3.539 0.995 1.00 0.00 O ATOM 939 CB LYS A 62 0.398 -3.081 2.502 1.00 0.00 C ATOM 940 CG LYS A 62 -0.340 -2.240 3.529 1.00 0.00 C ATOM 941 CD LYS A 62 -0.914 -3.098 4.644 1.00 0.00 C ATOM 942 CE LYS A 62 -1.549 -2.246 5.732 1.00 0.00 C ATOM 943 NZ LYS A 62 -2.674 -2.952 6.404 1.00 0.00 N ATOM 0 H LYS A 62 -0.408 -1.296 1.008 1.00 0.00 H new ATOM 0 HA LYS A 62 2.047 -1.726 2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.330 -3.591 1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.968 -3.853 3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.340 -1.500 3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.145 -1.691 3.040 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.659 -3.780 4.233 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.124 -3.712 5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.794 -1.980 6.472 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.912 -1.315 5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.295 -2.256 6.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.219 -3.488 5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.296 -3.606 7.119 1.00 0.00 H new ATOM 957 N VAL A 63 1.513 -3.640 -0.383 1.00 0.00 N ATOM 958 CA VAL A 63 2.161 -4.540 -1.330 1.00 0.00 C ATOM 959 C VAL A 63 3.536 -4.018 -1.732 1.00 0.00 C ATOM 960 O VAL A 63 4.450 -4.794 -2.010 1.00 0.00 O ATOM 961 CB VAL A 63 1.306 -4.730 -2.597 1.00 0.00 C ATOM 962 CG1 VAL A 63 1.477 -3.548 -3.539 1.00 0.00 C ATOM 963 CG2 VAL A 63 1.668 -6.034 -3.293 1.00 0.00 C ATOM 0 H VAL A 63 0.559 -3.379 -0.634 1.00 0.00 H new ATOM 0 HA VAL A 63 2.273 -5.501 -0.828 1.00 0.00 H new ATOM 0 HB VAL A 63 0.258 -4.780 -2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.865 -3.700 -4.428 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.164 -2.633 -3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.524 -3.462 -3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.054 -6.152 -4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.721 -6.016 -3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.489 -6.870 -2.616 1.00 0.00 H new ATOM 973 N LYS A 64 3.676 -2.697 -1.759 1.00 0.00 N ATOM 974 CA LYS A 64 4.940 -2.068 -2.125 1.00 0.00 C ATOM 975 C LYS A 64 6.022 -2.384 -1.097 1.00 0.00 C ATOM 976 O LYS A 64 7.091 -2.888 -1.442 1.00 0.00 O ATOM 977 CB LYS A 64 4.764 -0.553 -2.247 1.00 0.00 C ATOM 978 CG LYS A 64 3.696 -0.143 -3.247 1.00 0.00 C ATOM 979 CD LYS A 64 4.197 -0.261 -4.677 1.00 0.00 C ATOM 980 CE LYS A 64 3.064 -0.581 -5.640 1.00 0.00 C ATOM 981 NZ LYS A 64 3.367 -0.124 -7.024 1.00 0.00 N ATOM 0 H LYS A 64 2.929 -2.041 -1.532 1.00 0.00 H new ATOM 0 HA LYS A 64 5.251 -2.469 -3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.509 -0.145 -1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.715 -0.108 -2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.814 -0.770 -3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.388 0.884 -3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.676 0.672 -4.974 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.956 -1.041 -4.734 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.883 -1.656 -5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.147 -0.105 -5.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.571 -0.360 -7.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.514 0.905 -7.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.228 -0.597 -7.365 1.00 0.00 H new ATOM 995 N ILE A 65 5.736 -2.086 0.166 1.00 0.00 N ATOM 996 CA ILE A 65 6.684 -2.340 1.243 1.00 0.00 C ATOM 997 C ILE A 65 7.222 -3.766 1.177 1.00 0.00 C ATOM 998 O ILE A 65 8.425 -3.994 1.311 1.00 0.00 O ATOM 999 CB ILE A 65 6.042 -2.110 2.624 1.00 0.00 C ATOM 1000 CG1 ILE A 65 5.522 -0.675 2.736 1.00 0.00 C ATOM 1001 CG2 ILE A 65 7.046 -2.402 3.730 1.00 0.00 C ATOM 1002 CD1 ILE A 65 4.635 -0.446 3.940 1.00 0.00 C ATOM 0 H ILE A 65 4.856 -1.669 0.468 1.00 0.00 H new ATOM 0 HA ILE A 65 7.506 -1.637 1.112 1.00 0.00 H new ATOM 0 HB ILE A 65 5.199 -2.792 2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.370 0.008 2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.965 -0.427 1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.578 -2.235 4.700 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.374 -3.439 3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.906 -1.741 3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.303 0.592 3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.767 -1.103 3.883 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.194 -0.662 4.850 1.00 0.00 H new ATOM 1014 N HIS A 66 6.323 -4.722 0.968 1.00 0.00 N ATOM 1015 CA HIS A 66 6.708 -6.127 0.881 1.00 0.00 C ATOM 1016 C HIS A 66 7.554 -6.382 -0.362 1.00 0.00 C ATOM 1017 O HIS A 66 8.466 -7.208 -0.344 1.00 0.00 O ATOM 1018 CB HIS A 66 5.465 -7.017 0.858 1.00 0.00 C ATOM 1019 CG HIS A 66 5.777 -8.480 0.780 1.00 0.00 C ATOM 1020 ND1 HIS A 66 5.373 -9.281 -0.267 1.00 0.00 N ATOM 1021 CD2 HIS A 66 6.460 -9.286 1.626 1.00 0.00 C ATOM 1022 CE1 HIS A 66 5.793 -10.516 -0.061 1.00 0.00 C ATOM 1023 NE2 HIS A 66 6.456 -10.546 1.081 1.00 0.00 N ATOM 0 H HIS A 66 5.324 -4.550 0.856 1.00 0.00 H new ATOM 0 HA HIS A 66 7.304 -6.371 1.761 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.876 -6.827 1.755 1.00 0.00 H new ATOM 0 HB3 HIS A 66 4.846 -6.740 0.005 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.922 -8.992 2.557 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.623 -11.358 -0.715 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.894 -11.371 1.491 1.00 0.00 H new ATOM 1032 N GLU A 67 7.244 -5.669 -1.440 1.00 0.00 N ATOM 1033 CA GLU A 67 7.976 -5.821 -2.692 1.00 0.00 C ATOM 1034 C GLU A 67 9.410 -5.319 -2.549 1.00 0.00 C ATOM 1035 O GLU A 67 10.351 -5.955 -3.023 1.00 0.00 O ATOM 1036 CB GLU A 67 7.269 -5.062 -3.817 1.00 0.00 C ATOM 1037 CG GLU A 67 6.242 -5.897 -4.564 1.00 0.00 C ATOM 1038 CD GLU A 67 5.475 -5.094 -5.596 1.00 0.00 C ATOM 1039 OE1 GLU A 67 5.333 -3.868 -5.406 1.00 0.00 O ATOM 1040 OE2 GLU A 67 5.018 -5.691 -6.593 1.00 0.00 O ATOM 0 H GLU A 67 6.492 -4.981 -1.472 1.00 0.00 H new ATOM 0 HA GLU A 67 8.004 -6.882 -2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.776 -4.185 -3.398 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.015 -4.701 -4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.745 -6.729 -5.057 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.540 -6.327 -3.849 1.00 0.00 H new ATOM 1047 N ALA A 68 9.567 -4.175 -1.892 1.00 0.00 N ATOM 1048 CA ALA A 68 10.885 -3.588 -1.684 1.00 0.00 C ATOM 1049 C ALA A 68 11.590 -4.229 -0.493 1.00 0.00 C ATOM 1050 O ALA A 68 12.661 -4.819 -0.635 1.00 0.00 O ATOM 1051 CB ALA A 68 10.768 -2.085 -1.484 1.00 0.00 C ATOM 0 H ALA A 68 8.798 -3.636 -1.494 1.00 0.00 H new ATOM 0 HA ALA A 68 11.485 -3.779 -2.574 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.760 -1.660 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.314 -1.635 -2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.147 -1.881 -0.612 1.00 0.00 H new ATOM 1057 N THR A 69 10.982 -4.109 0.683 1.00 0.00 N ATOM 1058 CA THR A 69 11.551 -4.674 1.900 1.00 0.00 C ATOM 1059 C THR A 69 11.012 -6.076 2.159 1.00 0.00 C ATOM 1060 O THR A 69 9.951 -6.447 1.658 1.00 0.00 O ATOM 1061 CB THR A 69 11.254 -3.788 3.124 1.00 0.00 C ATOM 1062 OG1 THR A 69 9.841 -3.704 3.337 1.00 0.00 O ATOM 1063 CG2 THR A 69 11.827 -2.391 2.933 1.00 0.00 C ATOM 0 H THR A 69 10.094 -3.625 0.818 1.00 0.00 H new ATOM 0 HA THR A 69 12.630 -4.724 1.751 1.00 0.00 H new ATOM 0 HB THR A 69 11.726 -4.241 3.996 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.372 -4.160 2.607 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.605 -1.783 3.810 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.907 -2.456 2.801 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.380 -1.932 2.051 1.00 0.00 H new ATOM 1071 N GLY A 70 11.750 -6.853 2.947 1.00 0.00 N ATOM 1072 CA GLY A 70 11.329 -8.206 3.259 1.00 0.00 C ATOM 1073 C GLY A 70 10.314 -8.252 4.384 1.00 0.00 C ATOM 1074 O GLY A 70 10.293 -9.197 5.172 1.00 0.00 O ATOM 0 H GLY A 70 12.632 -6.569 3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.900 -8.664 2.368 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.200 -8.800 3.535 1.00 0.00 H new ATOM 1078 N MET A 71 9.470 -7.228 4.459 1.00 0.00 N ATOM 1079 CA MET A 71 8.448 -7.156 5.496 1.00 0.00 C ATOM 1080 C MET A 71 7.086 -7.568 4.947 1.00 0.00 C ATOM 1081 O MET A 71 6.696 -7.193 3.841 1.00 0.00 O ATOM 1082 CB MET A 71 8.371 -5.739 6.070 1.00 0.00 C ATOM 1083 CG MET A 71 7.726 -5.674 7.444 1.00 0.00 C ATOM 1084 SD MET A 71 7.907 -4.057 8.221 1.00 0.00 S ATOM 1085 CE MET A 71 7.288 -4.399 9.866 1.00 0.00 C ATOM 0 H MET A 71 9.474 -6.437 3.814 1.00 0.00 H new ATOM 0 HA MET A 71 8.725 -7.848 6.291 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.378 -5.325 6.130 1.00 0.00 H new ATOM 0 HB3 MET A 71 7.807 -5.108 5.383 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.666 -5.913 7.355 1.00 0.00 H new ATOM 0 HG3 MET A 71 8.172 -6.433 8.087 1.00 0.00 H new ATOM 0 HE1 MET A 71 7.635 -3.627 10.553 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.198 -4.407 9.850 1.00 0.00 H new ATOM 0 HE3 MET A 71 7.653 -5.371 10.197 1.00 0.00 H new ATOM 1095 N PRO A 72 6.344 -8.360 5.735 1.00 0.00 N ATOM 1096 CA PRO A 72 5.014 -8.840 5.348 1.00 0.00 C ATOM 1097 C PRO A 72 3.977 -7.722 5.328 1.00 0.00 C ATOM 1098 O PRO A 72 4.084 -6.750 6.074 1.00 0.00 O ATOM 1099 CB PRO A 72 4.676 -9.864 6.435 1.00 0.00 C ATOM 1100 CG PRO A 72 5.478 -9.440 7.617 1.00 0.00 C ATOM 1101 CD PRO A 72 6.745 -8.846 7.066 1.00 0.00 C ATOM 0 HA PRO A 72 5.007 -9.252 4.339 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.609 -9.865 6.660 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.937 -10.875 6.122 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.934 -8.711 8.217 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.695 -10.288 8.266 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.116 -8.036 7.695 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.541 -9.588 7.000 1.00 0.00 H new ATOM 1109 N ALA A 73 2.973 -7.868 4.470 1.00 0.00 N ATOM 1110 CA ALA A 73 1.915 -6.872 4.355 1.00 0.00 C ATOM 1111 C ALA A 73 0.896 -7.020 5.480 1.00 0.00 C ATOM 1112 O ALA A 73 -0.311 -6.988 5.246 1.00 0.00 O ATOM 1113 CB ALA A 73 1.229 -6.984 3.001 1.00 0.00 C ATOM 0 H ALA A 73 2.870 -8.667 3.844 1.00 0.00 H new ATOM 0 HA ALA A 73 2.369 -5.885 4.439 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.441 -6.234 2.929 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.959 -6.820 2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.795 -7.978 2.894 1.00 0.00 H new ATOM 1119 N GLY A 74 1.392 -7.185 6.703 1.00 0.00 N ATOM 1120 CA GLY A 74 0.511 -7.336 7.846 1.00 0.00 C ATOM 1121 C GLY A 74 1.052 -6.659 9.089 1.00 0.00 C ATOM 1122 O GLY A 74 0.393 -5.798 9.673 1.00 0.00 O ATOM 0 H GLY A 74 2.388 -7.217 6.922 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.466 -6.918 7.605 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.363 -8.397 8.049 1.00 0.00 H new ATOM 1126 N LYS A 75 2.255 -7.048 9.497 1.00 0.00 N ATOM 1127 CA LYS A 75 2.886 -6.474 10.679 1.00 0.00 C ATOM 1128 C LYS A 75 3.149 -4.984 10.486 1.00 0.00 C ATOM 1129 O LYS A 75 3.000 -4.192 11.416 1.00 0.00 O ATOM 1130 CB LYS A 75 4.198 -7.199 10.986 1.00 0.00 C ATOM 1131 CG LYS A 75 4.024 -8.425 11.866 1.00 0.00 C ATOM 1132 CD LYS A 75 4.131 -8.072 13.340 1.00 0.00 C ATOM 1133 CE LYS A 75 3.720 -9.240 14.224 1.00 0.00 C ATOM 1134 NZ LYS A 75 2.248 -9.274 14.450 1.00 0.00 N ATOM 0 H LYS A 75 2.813 -7.760 9.025 1.00 0.00 H new ATOM 0 HA LYS A 75 2.204 -6.599 11.520 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.666 -7.499 10.048 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.881 -6.505 11.475 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.053 -8.881 11.669 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.781 -9.167 11.612 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.156 -7.781 13.572 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.499 -7.211 13.556 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.038 -10.175 13.762 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.233 -9.168 15.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.009 -10.084 15.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.948 -8.393 14.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.759 -9.369 13.537 1.00 0.00 H new ATOM 1148 N GLN A 76 3.540 -4.609 9.272 1.00 0.00 N ATOM 1149 CA GLN A 76 3.823 -3.214 8.957 1.00 0.00 C ATOM 1150 C GLN A 76 2.551 -2.375 9.013 1.00 0.00 C ATOM 1151 O GLN A 76 1.671 -2.504 8.161 1.00 0.00 O ATOM 1152 CB GLN A 76 4.463 -3.101 7.572 1.00 0.00 C ATOM 1153 CG GLN A 76 3.645 -3.754 6.469 1.00 0.00 C ATOM 1154 CD GLN A 76 4.501 -4.221 5.308 1.00 0.00 C ATOM 1155 OE1 GLN A 76 5.645 -4.637 5.493 1.00 0.00 O ATOM 1156 NE2 GLN A 76 3.949 -4.155 4.102 1.00 0.00 N ATOM 0 H GLN A 76 3.668 -5.252 8.491 1.00 0.00 H new ATOM 0 HA GLN A 76 4.521 -2.833 9.703 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.606 -2.047 7.332 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.452 -3.559 7.599 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.101 -4.605 6.880 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.901 -3.045 6.105 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.998 -3.803 3.995 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.476 -4.456 3.283 1.00 0.00 H new ATOM 1165 N LYS A 77 2.459 -1.514 10.020 1.00 0.00 N ATOM 1166 CA LYS A 77 1.295 -0.651 10.188 1.00 0.00 C ATOM 1167 C LYS A 77 1.553 0.731 9.597 1.00 0.00 C ATOM 1168 O LYS A 77 2.526 1.398 9.952 1.00 0.00 O ATOM 1169 CB LYS A 77 0.937 -0.525 11.670 1.00 0.00 C ATOM 1170 CG LYS A 77 -0.526 -0.199 11.917 1.00 0.00 C ATOM 1171 CD LYS A 77 -0.835 -0.113 13.402 1.00 0.00 C ATOM 1172 CE LYS A 77 -1.084 -1.489 14.000 1.00 0.00 C ATOM 1173 NZ LYS A 77 -2.519 -1.878 13.919 1.00 0.00 N ATOM 0 H LYS A 77 3.178 -1.395 10.734 1.00 0.00 H new ATOM 0 HA LYS A 77 0.458 -1.104 9.656 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.183 -1.459 12.175 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.555 0.252 12.120 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.775 0.748 11.437 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.153 -0.964 11.458 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.004 0.365 13.921 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.712 0.516 13.556 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.477 -2.228 13.476 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.764 -1.495 15.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.647 -2.822 14.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.096 -1.187 14.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.818 -1.897 12.923 1.00 0.00 H new ATOM 1187 N LEU A 78 0.675 1.156 8.695 1.00 0.00 N ATOM 1188 CA LEU A 78 0.807 2.461 8.055 1.00 0.00 C ATOM 1189 C LEU A 78 0.007 3.520 8.808 1.00 0.00 C ATOM 1190 O LEU A 78 -1.214 3.422 8.923 1.00 0.00 O ATOM 1191 CB LEU A 78 0.337 2.388 6.602 1.00 0.00 C ATOM 1192 CG LEU A 78 1.089 1.408 5.701 1.00 0.00 C ATOM 1193 CD1 LEU A 78 0.556 1.474 4.278 1.00 0.00 C ATOM 1194 CD2 LEU A 78 2.582 1.697 5.728 1.00 0.00 C ATOM 0 H LEU A 78 -0.135 0.617 8.390 1.00 0.00 H new ATOM 0 HA LEU A 78 1.859 2.744 8.076 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.719 2.119 6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.414 3.384 6.166 1.00 0.00 H new ATOM 0 HG LEU A 78 0.928 0.399 6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.103 0.770 3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.503 1.216 4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.685 2.483 3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.101 0.990 5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.763 2.712 5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.954 1.596 6.748 1.00 0.00 H new ATOM 1206 N GLN A 79 0.705 4.530 9.317 1.00 0.00 N ATOM 1207 CA GLN A 79 0.059 5.607 10.057 1.00 0.00 C ATOM 1208 C GLN A 79 0.039 6.894 9.239 1.00 0.00 C ATOM 1209 O GLN A 79 1.022 7.240 8.583 1.00 0.00 O ATOM 1210 CB GLN A 79 0.779 5.845 11.386 1.00 0.00 C ATOM 1211 CG GLN A 79 -0.114 6.435 12.465 1.00 0.00 C ATOM 1212 CD GLN A 79 0.667 6.914 13.672 1.00 0.00 C ATOM 1213 OE1 GLN A 79 1.087 8.070 13.736 1.00 0.00 O ATOM 1214 NE2 GLN A 79 0.867 6.025 14.639 1.00 0.00 N ATOM 0 H GLN A 79 1.717 4.625 9.231 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.970 5.309 10.258 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.189 4.900 11.742 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.622 6.515 11.218 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.678 7.269 12.048 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.840 5.685 12.781 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.501 5.078 14.544 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.386 6.290 15.476 1.00 0.00 H new ATOM 1223 N TYR A 80 -1.086 7.599 9.282 1.00 0.00 N ATOM 1224 CA TYR A 80 -1.235 8.847 8.542 1.00 0.00 C ATOM 1225 C TYR A 80 -2.103 9.837 9.314 1.00 0.00 C ATOM 1226 O TYR A 80 -3.286 9.593 9.544 1.00 0.00 O ATOM 1227 CB TYR A 80 -1.848 8.578 7.167 1.00 0.00 C ATOM 1228 CG TYR A 80 -2.433 9.810 6.514 1.00 0.00 C ATOM 1229 CD1 TYR A 80 -1.616 10.856 6.102 1.00 0.00 C ATOM 1230 CD2 TYR A 80 -3.802 9.929 6.309 1.00 0.00 C ATOM 1231 CE1 TYR A 80 -2.146 11.984 5.505 1.00 0.00 C ATOM 1232 CE2 TYR A 80 -4.340 11.052 5.712 1.00 0.00 C ATOM 1233 CZ TYR A 80 -3.508 12.077 5.312 1.00 0.00 C ATOM 1234 OH TYR A 80 -4.041 13.198 4.719 1.00 0.00 O ATOM 0 H TYR A 80 -1.908 7.328 9.821 1.00 0.00 H new ATOM 0 HA TYR A 80 -0.245 9.284 8.412 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.083 8.159 6.513 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -2.629 7.825 7.268 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.549 10.786 6.251 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.457 9.129 6.622 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.497 12.788 5.191 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.406 11.127 5.559 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.389 13.579 4.095 1.00 0.00 H new ATOM 1244 N GLU A 81 -1.503 10.956 9.709 1.00 0.00 N ATOM 1245 CA GLU A 81 -2.221 11.984 10.454 1.00 0.00 C ATOM 1246 C GLU A 81 -2.782 11.419 11.756 1.00 0.00 C ATOM 1247 O GLU A 81 -3.963 11.585 12.059 1.00 0.00 O ATOM 1248 CB GLU A 81 -3.354 12.563 9.605 1.00 0.00 C ATOM 1249 CG GLU A 81 -2.896 13.626 8.621 1.00 0.00 C ATOM 1250 CD GLU A 81 -2.717 14.984 9.271 1.00 0.00 C ATOM 1251 OE1 GLU A 81 -3.730 15.574 9.702 1.00 0.00 O ATOM 1252 OE2 GLU A 81 -1.564 15.457 9.348 1.00 0.00 O ATOM 0 H GLU A 81 -0.523 11.173 9.526 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.517 12.780 10.697 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.834 11.754 9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.108 12.992 10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.953 13.316 8.170 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.624 13.707 7.814 1.00 0.00 H new ATOM 1259 N GLY A 82 -1.926 10.750 12.522 1.00 0.00 N ATOM 1260 CA GLY A 82 -2.354 10.171 13.782 1.00 0.00 C ATOM 1261 C GLY A 82 -3.458 9.147 13.604 1.00 0.00 C ATOM 1262 O GLY A 82 -4.284 8.953 14.497 1.00 0.00 O ATOM 0 H GLY A 82 -0.944 10.599 12.293 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.501 9.700 14.270 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.702 10.964 14.444 1.00 0.00 H new ATOM 1266 N ILE A 83 -3.475 8.493 12.448 1.00 0.00 N ATOM 1267 CA ILE A 83 -4.487 7.485 12.156 1.00 0.00 C ATOM 1268 C ILE A 83 -3.844 6.163 11.747 1.00 0.00 C ATOM 1269 O ILE A 83 -2.821 6.144 11.063 1.00 0.00 O ATOM 1270 CB ILE A 83 -5.437 7.948 11.036 1.00 0.00 C ATOM 1271 CG1 ILE A 83 -6.157 9.234 11.447 1.00 0.00 C ATOM 1272 CG2 ILE A 83 -6.441 6.854 10.706 1.00 0.00 C ATOM 1273 CD1 ILE A 83 -6.918 9.889 10.316 1.00 0.00 C ATOM 0 H ILE A 83 -2.800 8.643 11.698 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.061 7.340 13.071 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.848 8.154 10.142 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.850 9.009 12.258 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.426 9.941 11.839 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.105 7.197 9.913 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.911 5.961 10.375 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.028 6.619 11.594 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.403 10.795 10.680 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.227 10.145 9.513 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.673 9.200 9.938 1.00 0.00 H new ATOM 1285 N PHE A 84 -4.453 5.060 12.170 1.00 0.00 N ATOM 1286 CA PHE A 84 -3.941 3.733 11.848 1.00 0.00 C ATOM 1287 C PHE A 84 -4.661 3.152 10.635 1.00 0.00 C ATOM 1288 O PHE A 84 -5.297 2.101 10.723 1.00 0.00 O ATOM 1289 CB PHE A 84 -4.100 2.797 13.048 1.00 0.00 C ATOM 1290 CG PHE A 84 -3.119 3.065 14.152 1.00 0.00 C ATOM 1291 CD1 PHE A 84 -1.769 2.806 13.976 1.00 0.00 C ATOM 1292 CD2 PHE A 84 -3.545 3.577 15.367 1.00 0.00 C ATOM 1293 CE1 PHE A 84 -0.864 3.051 14.991 1.00 0.00 C ATOM 1294 CE2 PHE A 84 -2.645 3.825 16.386 1.00 0.00 C ATOM 1295 CZ PHE A 84 -1.302 3.562 16.197 1.00 0.00 C ATOM 0 H PHE A 84 -5.301 5.059 12.736 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.882 3.827 11.608 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.112 2.892 13.441 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.984 1.766 12.712 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.420 2.408 13.035 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.594 3.785 15.520 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.185 2.843 14.841 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.991 4.224 17.328 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.596 3.756 16.991 1.00 0.00 H new ATOM 1305 N ILE A 85 -4.557 3.844 9.505 1.00 0.00 N ATOM 1306 CA ILE A 85 -5.198 3.397 8.275 1.00 0.00 C ATOM 1307 C ILE A 85 -4.937 1.915 8.026 1.00 0.00 C ATOM 1308 O ILE A 85 -3.832 1.421 8.253 1.00 0.00 O ATOM 1309 CB ILE A 85 -4.707 4.204 7.059 1.00 0.00 C ATOM 1310 CG1 ILE A 85 -3.178 4.202 7.002 1.00 0.00 C ATOM 1311 CG2 ILE A 85 -5.239 5.628 7.119 1.00 0.00 C ATOM 1312 CD1 ILE A 85 -2.621 4.757 5.709 1.00 0.00 C ATOM 0 H ILE A 85 -4.035 4.716 9.416 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.269 3.559 8.400 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.086 3.734 6.152 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.791 4.787 7.836 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.819 3.181 7.135 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.883 6.186 6.253 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.329 5.610 7.116 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.886 6.110 8.031 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.532 4.725 5.739 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.979 4.158 4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.950 5.789 5.584 1.00 0.00 H new ATOM 1324 N LYS A 86 -5.961 1.210 7.557 1.00 0.00 N ATOM 1325 CA LYS A 86 -5.843 -0.215 7.273 1.00 0.00 C ATOM 1326 C LYS A 86 -6.185 -0.510 5.816 1.00 0.00 C ATOM 1327 O LYS A 86 -6.690 0.354 5.100 1.00 0.00 O ATOM 1328 CB LYS A 86 -6.763 -1.018 8.197 1.00 0.00 C ATOM 1329 CG LYS A 86 -6.102 -1.437 9.498 1.00 0.00 C ATOM 1330 CD LYS A 86 -7.123 -1.617 10.609 1.00 0.00 C ATOM 1331 CE LYS A 86 -6.496 -1.415 11.980 1.00 0.00 C ATOM 1332 NZ LYS A 86 -5.679 -2.589 12.396 1.00 0.00 N ATOM 0 H LYS A 86 -6.883 1.603 7.365 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.809 -0.511 7.452 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.647 -0.422 8.424 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.106 -1.908 7.670 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.559 -2.370 9.347 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.370 -0.686 9.794 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.939 -0.908 10.473 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.555 -2.616 10.549 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.869 -0.524 11.965 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.281 -1.240 12.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.269 -2.412 13.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.282 -3.435 12.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.914 -2.741 11.708 1.00 0.00 H new ATOM 1346 N ASP A 87 -5.908 -1.736 5.385 1.00 0.00 N ATOM 1347 CA ASP A 87 -6.189 -2.145 4.014 1.00 0.00 C ATOM 1348 C ASP A 87 -7.693 -2.212 3.764 1.00 0.00 C ATOM 1349 O ASP A 87 -8.156 -1.995 2.644 1.00 0.00 O ATOM 1350 CB ASP A 87 -5.551 -3.505 3.724 1.00 0.00 C ATOM 1351 CG ASP A 87 -5.735 -4.486 4.864 1.00 0.00 C ATOM 1352 OD1 ASP A 87 -6.873 -4.966 5.056 1.00 0.00 O ATOM 1353 OD2 ASP A 87 -4.743 -4.775 5.564 1.00 0.00 O ATOM 0 H ASP A 87 -5.489 -2.463 5.965 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.760 -1.400 3.344 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.988 -3.922 2.816 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.486 -3.370 3.533 1.00 0.00 H new ATOM 1358 N SER A 88 -8.449 -2.515 4.814 1.00 0.00 N ATOM 1359 CA SER A 88 -9.900 -2.616 4.708 1.00 0.00 C ATOM 1360 C SER A 88 -10.516 -1.258 4.381 1.00 0.00 C ATOM 1361 O SER A 88 -11.581 -1.179 3.771 1.00 0.00 O ATOM 1362 CB SER A 88 -10.492 -3.157 6.010 1.00 0.00 C ATOM 1363 OG SER A 88 -9.971 -4.440 6.312 1.00 0.00 O ATOM 0 H SER A 88 -8.081 -2.695 5.748 1.00 0.00 H new ATOM 0 HA SER A 88 -10.133 -3.307 3.898 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.271 -2.470 6.827 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.577 -3.212 5.924 1.00 0.00 H new ATOM 0 HG SER A 88 -10.363 -4.764 7.150 1.00 0.00 H new ATOM 1369 N ASN A 89 -9.837 -0.193 4.793 1.00 0.00 N ATOM 1370 CA ASN A 89 -10.317 1.162 4.546 1.00 0.00 C ATOM 1371 C ASN A 89 -9.793 1.690 3.214 1.00 0.00 C ATOM 1372 O ASN A 89 -8.672 1.382 2.810 1.00 0.00 O ATOM 1373 CB ASN A 89 -9.886 2.093 5.681 1.00 0.00 C ATOM 1374 CG ASN A 89 -10.531 1.729 7.004 1.00 0.00 C ATOM 1375 OD1 ASN A 89 -10.136 0.589 7.560 1.00 0.00 O flip ATOM 1376 ND2 ASN A 89 -11.373 2.463 7.520 1.00 0.00 N flip ATOM 0 H ASN A 89 -8.953 -0.242 5.299 1.00 0.00 H new ATOM 0 HA ASN A 89 -11.406 1.133 4.503 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.802 2.055 5.786 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.146 3.120 5.424 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.646 3.330 7.057 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.798 2.205 8.411 1.00 0.00 H new ATOM 1383 N SER A 90 -10.613 2.486 2.536 1.00 0.00 N ATOM 1384 CA SER A 90 -10.235 3.054 1.247 1.00 0.00 C ATOM 1385 C SER A 90 -9.493 4.374 1.433 1.00 0.00 C ATOM 1386 O SER A 90 -9.708 5.089 2.413 1.00 0.00 O ATOM 1387 CB SER A 90 -11.475 3.271 0.378 1.00 0.00 C ATOM 1388 OG SER A 90 -12.270 2.099 0.321 1.00 0.00 O ATOM 0 H SER A 90 -11.544 2.752 2.858 1.00 0.00 H new ATOM 0 HA SER A 90 -9.570 2.350 0.748 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.065 4.095 0.780 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.172 3.558 -0.629 1.00 0.00 H new ATOM 0 HG SER A 90 -13.057 2.265 -0.239 1.00 0.00 H new ATOM 1394 N LEU A 91 -8.618 4.692 0.485 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.842 5.926 0.542 1.00 0.00 C ATOM 1396 C LEU A 91 -8.737 7.142 0.329 1.00 0.00 C ATOM 1397 O LEU A 91 -8.826 8.018 1.188 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.733 5.904 -0.511 1.00 0.00 C ATOM 1399 CG LEU A 91 -5.657 4.833 -0.330 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -4.903 4.607 -1.632 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -4.696 5.226 0.783 1.00 0.00 C ATOM 0 H LEU A 91 -8.428 4.112 -0.332 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.392 5.998 1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.192 5.768 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.248 6.880 -0.519 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.145 3.899 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.141 3.841 -1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.600 4.281 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.427 5.537 -1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.937 4.452 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.215 6.172 0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.247 5.336 1.717 1.00 0.00 H new ATOM 1413 N ALA A 92 -9.401 7.188 -0.822 1.00 0.00 N ATOM 1414 CA ALA A 92 -10.293 8.294 -1.147 1.00 0.00 C ATOM 1415 C ALA A 92 -11.149 8.680 0.055 1.00 0.00 C ATOM 1416 O ALA A 92 -11.355 9.862 0.328 1.00 0.00 O ATOM 1417 CB ALA A 92 -11.176 7.929 -2.331 1.00 0.00 C ATOM 0 H ALA A 92 -9.338 6.471 -1.545 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.681 9.155 -1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.837 8.764 -2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.551 7.710 -3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -11.773 7.052 -2.083 1.00 0.00 H new ATOM 1423 N TYR A 93 -11.644 7.675 0.769 1.00 0.00 N ATOM 1424 CA TYR A 93 -12.481 7.910 1.940 1.00 0.00 C ATOM 1425 C TYR A 93 -11.802 8.872 2.910 1.00 0.00 C ATOM 1426 O TYR A 93 -12.421 9.817 3.401 1.00 0.00 O ATOM 1427 CB TYR A 93 -12.788 6.589 2.647 1.00 0.00 C ATOM 1428 CG TYR A 93 -13.566 6.756 3.932 1.00 0.00 C ATOM 1429 CD1 TYR A 93 -12.918 7.047 5.126 1.00 0.00 C ATOM 1430 CD2 TYR A 93 -14.949 6.622 3.953 1.00 0.00 C ATOM 1431 CE1 TYR A 93 -13.624 7.200 6.304 1.00 0.00 C ATOM 1432 CE2 TYR A 93 -15.663 6.775 5.126 1.00 0.00 C ATOM 1433 CZ TYR A 93 -14.996 7.063 6.298 1.00 0.00 C ATOM 1434 OH TYR A 93 -15.705 7.215 7.468 1.00 0.00 O ATOM 0 H TYR A 93 -11.480 6.691 0.558 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.415 8.360 1.603 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.353 5.948 1.971 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.851 6.076 2.864 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.843 7.156 5.134 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -15.474 6.394 3.037 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -13.104 7.425 7.224 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -16.738 6.670 5.125 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.660 7.088 7.290 1.00 0.00 H new ATOM 1444 N TYR A 94 -10.525 8.626 3.182 1.00 0.00 N ATOM 1445 CA TYR A 94 -9.761 9.468 4.094 1.00 0.00 C ATOM 1446 C TYR A 94 -9.562 10.863 3.510 1.00 0.00 C ATOM 1447 O TYR A 94 -9.332 11.827 4.239 1.00 0.00 O ATOM 1448 CB TYR A 94 -8.404 8.830 4.395 1.00 0.00 C ATOM 1449 CG TYR A 94 -8.499 7.560 5.209 1.00 0.00 C ATOM 1450 CD1 TYR A 94 -9.017 7.574 6.498 1.00 0.00 C ATOM 1451 CD2 TYR A 94 -8.073 6.344 4.688 1.00 0.00 C ATOM 1452 CE1 TYR A 94 -9.105 6.415 7.245 1.00 0.00 C ATOM 1453 CE2 TYR A 94 -8.158 5.180 5.427 1.00 0.00 C ATOM 1454 CZ TYR A 94 -8.675 5.221 6.706 1.00 0.00 C ATOM 1455 OH TYR A 94 -8.762 4.065 7.446 1.00 0.00 O ATOM 0 H TYR A 94 -9.997 7.850 2.783 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.325 9.560 5.022 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.898 8.612 3.455 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.785 9.549 4.931 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -9.357 8.507 6.923 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.668 6.308 3.687 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.509 6.444 8.246 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.822 4.244 5.007 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.522 4.127 8.062 1.00 0.00 H new ATOM 1465 N ASN A 95 -9.653 10.962 2.187 1.00 0.00 N ATOM 1466 CA ASN A 95 -9.483 12.239 1.503 1.00 0.00 C ATOM 1467 C ASN A 95 -8.087 12.804 1.745 1.00 0.00 C ATOM 1468 O ASN A 95 -7.935 13.938 2.199 1.00 0.00 O ATOM 1469 CB ASN A 95 -10.539 13.239 1.975 1.00 0.00 C ATOM 1470 CG ASN A 95 -11.885 13.015 1.314 1.00 0.00 C ATOM 1471 OD1 ASN A 95 -12.212 13.654 0.314 1.00 0.00 O ATOM 1472 ND2 ASN A 95 -12.673 12.102 1.870 1.00 0.00 N ATOM 0 H ASN A 95 -9.843 10.174 1.568 1.00 0.00 H new ATOM 0 HA ASN A 95 -9.606 12.069 0.433 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.651 13.161 3.056 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.197 14.252 1.762 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.590 11.907 1.468 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.361 11.596 2.699 1.00 0.00 H new ATOM 1479 N MET A 96 -7.069 12.005 1.439 1.00 0.00 N ATOM 1480 CA MET A 96 -5.685 12.427 1.621 1.00 0.00 C ATOM 1481 C MET A 96 -5.299 13.486 0.593 1.00 0.00 C ATOM 1482 O MET A 96 -6.114 13.882 -0.240 1.00 0.00 O ATOM 1483 CB MET A 96 -4.745 11.225 1.511 1.00 0.00 C ATOM 1484 CG MET A 96 -5.010 10.149 2.551 1.00 0.00 C ATOM 1485 SD MET A 96 -3.616 9.024 2.757 1.00 0.00 S ATOM 1486 CE MET A 96 -4.445 7.570 3.394 1.00 0.00 C ATOM 0 H MET A 96 -7.177 11.063 1.064 1.00 0.00 H new ATOM 0 HA MET A 96 -5.592 12.862 2.616 1.00 0.00 H new ATOM 0 HB2 MET A 96 -4.841 10.789 0.517 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.715 11.569 1.610 1.00 0.00 H new ATOM 0 HG2 MET A 96 -5.235 10.621 3.507 1.00 0.00 H new ATOM 0 HG3 MET A 96 -5.893 9.579 2.261 1.00 0.00 H new ATOM 0 HE1 MET A 96 -3.785 6.707 3.306 1.00 0.00 H new ATOM 0 HE2 MET A 96 -4.700 7.727 4.442 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.355 7.390 2.822 1.00 0.00 H new ATOM 1496 N ALA A 97 -4.052 13.940 0.659 1.00 0.00 N ATOM 1497 CA ALA A 97 -3.558 14.952 -0.268 1.00 0.00 C ATOM 1498 C ALA A 97 -2.134 14.639 -0.714 1.00 0.00 C ATOM 1499 O ALA A 97 -1.390 13.953 -0.013 1.00 0.00 O ATOM 1500 CB ALA A 97 -3.622 16.330 0.373 1.00 0.00 C ATOM 0 H ALA A 97 -3.365 13.624 1.344 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.197 14.944 -1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.250 17.076 -0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.654 16.562 0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -3.007 16.342 1.273 1.00 0.00 H new ATOM 1506 N SER A 98 -1.761 15.145 -1.885 1.00 0.00 N ATOM 1507 CA SER A 98 -0.427 14.916 -2.427 1.00 0.00 C ATOM 1508 C SER A 98 0.644 15.249 -1.393 1.00 0.00 C ATOM 1509 O SER A 98 0.368 15.895 -0.383 1.00 0.00 O ATOM 1510 CB SER A 98 -0.215 15.756 -3.688 1.00 0.00 C ATOM 1511 OG SER A 98 -1.209 15.479 -4.659 1.00 0.00 O ATOM 0 H SER A 98 -2.364 15.716 -2.477 1.00 0.00 H new ATOM 0 HA SER A 98 -0.342 13.860 -2.684 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.238 16.815 -3.431 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.771 15.550 -4.104 1.00 0.00 H new ATOM 0 HG SER A 98 -1.052 16.030 -5.454 1.00 0.00 H new ATOM 1517 N GLY A 99 1.869 14.803 -1.655 1.00 0.00 N ATOM 1518 CA GLY A 99 2.964 15.063 -0.738 1.00 0.00 C ATOM 1519 C GLY A 99 2.678 14.563 0.664 1.00 0.00 C ATOM 1520 O GLY A 99 3.045 15.207 1.646 1.00 0.00 O ATOM 0 H GLY A 99 2.123 14.267 -2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.869 14.585 -1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.160 16.135 -0.705 1.00 0.00 H new ATOM 1524 N ALA A 100 2.020 13.412 0.757 1.00 0.00 N ATOM 1525 CA ALA A 100 1.686 12.826 2.049 1.00 0.00 C ATOM 1526 C ALA A 100 2.880 12.086 2.641 1.00 0.00 C ATOM 1527 O ALA A 100 3.897 11.893 1.975 1.00 0.00 O ATOM 1528 CB ALA A 100 0.496 11.888 1.911 1.00 0.00 C ATOM 0 H ALA A 100 1.708 12.867 -0.047 1.00 0.00 H new ATOM 0 HA ALA A 100 1.420 13.635 2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.257 11.457 2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.365 12.444 1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.741 11.089 1.211 1.00 0.00 H new ATOM 1534 N VAL A 101 2.750 11.673 3.898 1.00 0.00 N ATOM 1535 CA VAL A 101 3.819 10.953 4.581 1.00 0.00 C ATOM 1536 C VAL A 101 3.260 9.824 5.439 1.00 0.00 C ATOM 1537 O VAL A 101 2.639 10.067 6.474 1.00 0.00 O ATOM 1538 CB VAL A 101 4.652 11.895 5.470 1.00 0.00 C ATOM 1539 CG1 VAL A 101 3.805 12.440 6.610 1.00 0.00 C ATOM 1540 CG2 VAL A 101 5.880 11.175 6.005 1.00 0.00 C ATOM 0 H VAL A 101 1.915 11.825 4.464 1.00 0.00 H new ATOM 0 HA VAL A 101 4.462 10.533 3.807 1.00 0.00 H new ATOM 0 HB VAL A 101 4.988 12.736 4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.410 13.104 7.228 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.960 12.994 6.202 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.438 11.613 7.218 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.457 11.856 6.631 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.568 10.314 6.596 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.496 10.838 5.171 1.00 0.00 H new ATOM 1550 N ILE A 102 3.485 8.589 5.003 1.00 0.00 N ATOM 1551 CA ILE A 102 3.005 7.422 5.732 1.00 0.00 C ATOM 1552 C ILE A 102 4.071 6.894 6.686 1.00 0.00 C ATOM 1553 O ILE A 102 5.090 6.352 6.257 1.00 0.00 O ATOM 1554 CB ILE A 102 2.584 6.293 4.774 1.00 0.00 C ATOM 1555 CG1 ILE A 102 1.460 6.769 3.851 1.00 0.00 C ATOM 1556 CG2 ILE A 102 2.148 5.066 5.560 1.00 0.00 C ATOM 1557 CD1 ILE A 102 0.190 7.135 4.586 1.00 0.00 C ATOM 0 H ILE A 102 3.997 8.371 4.148 1.00 0.00 H new ATOM 0 HA ILE A 102 2.135 7.743 6.305 1.00 0.00 H new ATOM 0 HB ILE A 102 3.442 6.020 4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.806 7.635 3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.238 5.985 3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.853 4.277 4.868 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.975 4.717 6.178 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.302 5.324 6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.563 7.463 3.870 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.180 6.265 5.128 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.397 7.941 5.290 1.00 0.00 H new ATOM 1569 N HIS A 103 3.828 7.053 7.984 1.00 0.00 N ATOM 1570 CA HIS A 103 4.766 6.590 9.000 1.00 0.00 C ATOM 1571 C HIS A 103 4.561 5.107 9.293 1.00 0.00 C ATOM 1572 O HIS A 103 3.448 4.670 9.589 1.00 0.00 O ATOM 1573 CB HIS A 103 4.602 7.403 10.284 1.00 0.00 C ATOM 1574 CG HIS A 103 5.033 8.831 10.149 1.00 0.00 C ATOM 1575 ND1 HIS A 103 6.335 9.245 10.333 1.00 0.00 N ATOM 1576 CD2 HIS A 103 4.326 9.944 9.842 1.00 0.00 C ATOM 1577 CE1 HIS A 103 6.410 10.551 10.149 1.00 0.00 C ATOM 1578 NE2 HIS A 103 5.204 10.999 9.849 1.00 0.00 N ATOM 0 H HIS A 103 2.990 7.499 8.356 1.00 0.00 H new ATOM 0 HA HIS A 103 5.777 6.730 8.617 1.00 0.00 H new ATOM 0 HB2 HIS A 103 3.556 7.375 10.591 1.00 0.00 H new ATOM 0 HB3 HIS A 103 5.180 6.931 11.079 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.268 9.993 9.631 1.00 0.00 H new ATOM 0 HE1 HIS A 103 7.305 11.150 10.230 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.964 11.971 9.654 1.00 0.00 H new ATOM 1587 N LEU A 104 5.640 4.337 9.207 1.00 0.00 N ATOM 1588 CA LEU A 104 5.578 2.902 9.462 1.00 0.00 C ATOM 1589 C LEU A 104 5.746 2.605 10.948 1.00 0.00 C ATOM 1590 O LEU A 104 6.569 3.220 11.625 1.00 0.00 O ATOM 1591 CB LEU A 104 6.659 2.175 8.660 1.00 0.00 C ATOM 1592 CG LEU A 104 6.863 0.697 8.995 1.00 0.00 C ATOM 1593 CD1 LEU A 104 5.606 -0.100 8.685 1.00 0.00 C ATOM 1594 CD2 LEU A 104 8.054 0.136 8.231 1.00 0.00 C ATOM 0 H LEU A 104 6.568 4.682 8.963 1.00 0.00 H new ATOM 0 HA LEU A 104 4.598 2.544 9.148 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.414 2.256 7.601 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.605 2.695 8.809 1.00 0.00 H new ATOM 0 HG LEU A 104 7.068 0.612 10.062 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.771 -1.149 8.930 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.776 0.285 9.277 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.369 -0.008 7.625 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.184 -0.917 8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.878 0.235 7.160 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.954 0.688 8.504 1.00 0.00 H new ATOM 1606 N ALA A 105 4.960 1.658 11.450 1.00 0.00 N ATOM 1607 CA ALA A 105 5.024 1.277 12.855 1.00 0.00 C ATOM 1608 C ALA A 105 4.863 -0.230 13.023 1.00 0.00 C ATOM 1609 O ALA A 105 4.242 -0.895 12.193 1.00 0.00 O ATOM 1610 CB ALA A 105 3.959 2.015 13.652 1.00 0.00 C ATOM 0 H ALA A 105 4.271 1.141 10.904 1.00 0.00 H new ATOM 0 HA ALA A 105 6.006 1.556 13.237 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.019 1.720 14.700 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.121 3.090 13.568 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.973 1.765 13.261 1.00 0.00 H new ATOM 1616 N LEU A 106 5.428 -0.764 14.101 1.00 0.00 N ATOM 1617 CA LEU A 106 5.348 -2.194 14.377 1.00 0.00 C ATOM 1618 C LEU A 106 3.966 -2.570 14.905 1.00 0.00 C ATOM 1619 O LEU A 106 3.558 -2.128 15.979 1.00 0.00 O ATOM 1620 CB LEU A 106 6.420 -2.599 15.390 1.00 0.00 C ATOM 1621 CG LEU A 106 7.758 -3.054 14.806 1.00 0.00 C ATOM 1622 CD1 LEU A 106 8.786 -3.243 15.910 1.00 0.00 C ATOM 1623 CD2 LEU A 106 7.583 -4.340 14.011 1.00 0.00 C ATOM 0 H LEU A 106 5.946 -0.228 14.797 1.00 0.00 H new ATOM 0 HA LEU A 106 5.519 -2.729 13.443 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.604 -1.753 16.052 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.023 -3.405 16.007 1.00 0.00 H new ATOM 0 HG LEU A 106 8.120 -2.279 14.130 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.732 -3.567 15.475 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.933 -2.300 16.436 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.432 -3.998 16.612 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.545 -4.649 13.603 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.198 -5.122 14.665 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.880 -4.171 13.195 1.00 0.00 H new ATOM 1635 N LYS A 107 3.252 -3.391 14.143 1.00 0.00 N ATOM 1636 CA LYS A 107 1.917 -3.831 14.533 1.00 0.00 C ATOM 1637 C LYS A 107 1.988 -4.819 15.693 1.00 0.00 C ATOM 1638 O LYS A 107 2.612 -5.874 15.584 1.00 0.00 O ATOM 1639 CB LYS A 107 1.201 -4.474 13.344 1.00 0.00 C ATOM 1640 CG LYS A 107 -0.153 -5.065 13.696 1.00 0.00 C ATOM 1641 CD LYS A 107 -0.703 -5.914 12.562 1.00 0.00 C ATOM 1642 CE LYS A 107 -1.586 -7.037 13.085 1.00 0.00 C ATOM 1643 NZ LYS A 107 -0.785 -8.139 13.686 1.00 0.00 N ATOM 0 H LYS A 107 3.575 -3.766 13.251 1.00 0.00 H new ATOM 0 HA LYS A 107 1.354 -2.956 14.857 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.069 -3.726 12.562 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.834 -5.259 12.931 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.063 -5.673 14.596 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.854 -4.262 13.923 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.277 -5.286 11.881 1.00 0.00 H new ATOM 0 HD3 LYS A 107 0.122 -6.336 11.988 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.274 -6.640 13.831 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.192 -7.432 12.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.399 -8.960 13.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -0.022 -8.410 13.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.373 -7.818 14.585 1.00 0.00 H new