USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 824 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 101 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0141) USER MOD Set 1.2: A 105 ASN :FLIP amide:sc= -0.613 F(o=-2,f=-0.61) USER MOD Set 2.1: A 66 ASN : amide:sc= -0.451 X(o=0.7,f=0.45) USER MOD Set 2.2: A 85 SER OG : rot 96:sc= 1.15 USER MOD Single : A 11 THR OG1 : rot 39:sc= 0.852 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 44:sc= 0.316 USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0958) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 25 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.8) USER MOD Single : A 26 ASN : amide:sc= 0.468 K(o=0.47,f=-7.7!) USER MOD Single : A 27 TYR OH : rot 32:sc= 0.553 USER MOD Single : A 35 LYS NZ :NH3+ 167:sc=-0.00763 (180deg=-0.137) USER MOD Single : A 37 THR OG1 : rot 76:sc= 1.24 USER MOD Single : A 40 HIS : no HE2:sc= -0.973 X(o=-0.97,f=-0.7) USER MOD Single : A 49 SER OG : rot -150:sc= 0.0303 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS :FLIP no HE2:sc= -1.14 F(o=-2!,f=-1.1) USER MOD Single : A 77 GLN :FLIP amide:sc= 1.22 F(o=-0.091,f=1.2) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0.181 K(o=0.18,f=-2!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 87:sc= -0.256 USER MOD Single : A 99 TYR OH : rot 134:sc= 0.0397 USER MOD Single : A 104 LYS NZ :NH3+ -158:sc=-0.00207 (180deg=-0.577) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN :FLIP amide:sc= -4.01! C(o=-5.1!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 104 N THR A 11 -10.424 -11.908 7.576 1.00 0.00 N ATOM 105 CA THR A 11 -10.334 -10.541 7.077 1.00 0.00 C ATOM 106 C THR A 11 -9.620 -9.637 8.076 1.00 0.00 C ATOM 107 O THR A 11 -10.193 -9.245 9.093 1.00 0.00 O ATOM 108 CB THR A 11 -11.729 -9.959 6.780 1.00 0.00 C ATOM 109 OG1 THR A 11 -12.530 -9.976 7.967 1.00 0.00 O ATOM 110 CG2 THR A 11 -12.423 -10.750 5.682 1.00 0.00 C ATOM 0 HA THR A 11 -9.760 -10.579 6.151 1.00 0.00 H new ATOM 0 HB THR A 11 -11.605 -8.930 6.441 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.974 -9.745 8.740 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.406 -10.320 5.490 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.825 -10.710 4.771 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.536 -11.787 5.997 1.00 0.00 H new ATOM 118 N PHE A 12 -8.367 -9.309 7.779 1.00 0.00 N ATOM 119 CA PHE A 12 -7.575 -8.451 8.652 1.00 0.00 C ATOM 120 C PHE A 12 -8.047 -7.002 8.565 1.00 0.00 C ATOM 121 O PHE A 12 -8.778 -6.631 7.648 1.00 0.00 O ATOM 122 CB PHE A 12 -6.093 -8.539 8.281 1.00 0.00 C ATOM 123 CG PHE A 12 -5.498 -9.899 8.508 1.00 0.00 C ATOM 124 CD1 PHE A 12 -5.728 -10.929 7.609 1.00 0.00 C ATOM 125 CD2 PHE A 12 -4.710 -10.148 9.619 1.00 0.00 C ATOM 126 CE1 PHE A 12 -5.182 -12.182 7.816 1.00 0.00 C ATOM 127 CE2 PHE A 12 -4.161 -11.399 9.831 1.00 0.00 C ATOM 128 CZ PHE A 12 -4.397 -12.417 8.928 1.00 0.00 C ATOM 0 H PHE A 12 -7.879 -9.624 6.941 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.707 -8.797 9.677 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.973 -8.269 7.232 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.536 -7.806 8.865 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.340 -10.751 6.737 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.522 -9.356 10.328 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.369 -12.977 7.109 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.548 -11.580 10.702 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.969 -13.395 9.091 1.00 0.00 H new ATOM 138 N ASN A 13 -7.624 -6.189 9.527 1.00 0.00 N ATOM 139 CA ASN A 13 -8.004 -4.782 9.561 1.00 0.00 C ATOM 140 C ASN A 13 -6.805 -3.887 9.258 1.00 0.00 C ATOM 141 O ASN A 13 -6.098 -3.431 10.157 1.00 0.00 O ATOM 142 CB ASN A 13 -8.590 -4.423 10.928 1.00 0.00 C ATOM 143 CG ASN A 13 -9.281 -3.073 10.924 1.00 0.00 C ATOM 144 OD1 ASN A 13 -10.462 -2.968 10.592 1.00 0.00 O ATOM 145 ND2 ASN A 13 -8.545 -2.031 11.293 1.00 0.00 N ATOM 0 H ASN A 13 -7.018 -6.481 10.294 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.761 -4.617 8.794 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -9.302 -5.192 11.228 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.793 -4.418 11.672 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.955 -1.097 11.309 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.570 -2.165 11.560 1.00 0.00 H new ATOM 152 N PRO A 14 -6.571 -3.630 7.963 1.00 0.00 N ATOM 153 CA PRO A 14 -5.459 -2.787 7.512 1.00 0.00 C ATOM 154 C PRO A 14 -5.664 -1.319 7.868 1.00 0.00 C ATOM 155 O PRO A 14 -6.765 -0.905 8.232 1.00 0.00 O ATOM 156 CB PRO A 14 -5.466 -2.975 5.993 1.00 0.00 C ATOM 157 CG PRO A 14 -6.870 -3.350 5.664 1.00 0.00 C ATOM 158 CD PRO A 14 -7.374 -4.140 6.839 1.00 0.00 C ATOM 0 HA PRO A 14 -4.518 -3.065 7.986 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.170 -2.060 5.480 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.766 -3.753 5.687 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.482 -2.463 5.499 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.912 -3.941 4.749 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.440 -3.981 7.002 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.229 -5.211 6.695 1.00 0.00 H new ATOM 166 N ARG A 15 -4.596 -0.535 7.761 1.00 0.00 N ATOM 167 CA ARG A 15 -4.658 0.888 8.073 1.00 0.00 C ATOM 168 C ARG A 15 -4.827 1.716 6.803 1.00 0.00 C ATOM 169 O ARG A 15 -4.253 1.397 5.762 1.00 0.00 O ATOM 170 CB ARG A 15 -3.394 1.325 8.815 1.00 0.00 C ATOM 171 CG ARG A 15 -3.334 2.819 9.088 1.00 0.00 C ATOM 172 CD ARG A 15 -2.259 3.156 10.110 1.00 0.00 C ATOM 173 NE ARG A 15 -2.526 4.422 10.788 1.00 0.00 N ATOM 174 CZ ARG A 15 -1.920 4.797 11.909 1.00 0.00 C ATOM 175 NH1 ARG A 15 -1.017 4.008 12.475 1.00 0.00 N ATOM 176 NH2 ARG A 15 -2.216 5.965 12.466 1.00 0.00 N ATOM 0 H ARG A 15 -3.677 -0.861 7.461 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.524 1.056 8.714 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.335 0.789 9.762 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.521 1.036 8.230 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.134 3.352 8.159 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.303 3.163 9.450 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.196 2.356 10.848 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.290 3.208 9.613 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.215 5.052 10.378 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.786 3.110 12.050 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.553 4.299 13.336 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.909 6.575 12.033 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.750 6.252 13.327 1.00 0.00 H new ATOM 190 N GLU A 16 -5.619 2.780 6.897 1.00 0.00 N ATOM 191 CA GLU A 16 -5.865 3.652 5.754 1.00 0.00 C ATOM 192 C GLU A 16 -5.180 5.003 5.944 1.00 0.00 C ATOM 193 O GLU A 16 -5.499 5.747 6.872 1.00 0.00 O ATOM 194 CB GLU A 16 -7.368 3.854 5.552 1.00 0.00 C ATOM 195 CG GLU A 16 -7.711 4.689 4.330 1.00 0.00 C ATOM 196 CD GLU A 16 -9.204 4.895 4.164 1.00 0.00 C ATOM 197 OE1 GLU A 16 -9.918 4.908 5.189 1.00 0.00 O ATOM 198 OE2 GLU A 16 -9.659 5.043 3.011 1.00 0.00 O ATOM 0 H GLU A 16 -6.101 3.059 7.752 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.448 3.173 4.868 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.848 2.880 5.462 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.784 4.334 6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.221 5.659 4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.314 4.202 3.439 1.00 0.00 H new ATOM 205 N CYS A 17 -4.238 5.311 5.059 1.00 0.00 N ATOM 206 CA CYS A 17 -3.507 6.571 5.129 1.00 0.00 C ATOM 207 C CYS A 17 -3.721 7.395 3.864 1.00 0.00 C ATOM 208 O CYS A 17 -3.755 6.857 2.757 1.00 0.00 O ATOM 209 CB CYS A 17 -2.014 6.307 5.334 1.00 0.00 C ATOM 210 SG CYS A 17 -1.574 5.824 7.020 1.00 0.00 S ATOM 0 H CYS A 17 -3.963 4.706 4.285 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.889 7.138 5.978 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.697 5.521 4.648 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.457 7.206 5.068 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.292 5.621 7.093 1.00 0.00 H new ATOM 216 N LYS A 18 -3.867 8.705 4.035 1.00 0.00 N ATOM 217 CA LYS A 18 -4.079 9.605 2.908 1.00 0.00 C ATOM 218 C LYS A 18 -2.910 10.573 2.757 1.00 0.00 C ATOM 219 O LYS A 18 -2.576 11.309 3.687 1.00 0.00 O ATOM 220 CB LYS A 18 -5.382 10.387 3.091 1.00 0.00 C ATOM 221 CG LYS A 18 -6.602 9.676 2.531 1.00 0.00 C ATOM 222 CD LYS A 18 -7.850 10.534 2.649 1.00 0.00 C ATOM 223 CE LYS A 18 -8.970 10.014 1.761 1.00 0.00 C ATOM 224 NZ LYS A 18 -9.898 11.102 1.344 1.00 0.00 N ATOM 0 H LYS A 18 -3.842 9.167 4.944 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.148 9.002 2.002 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.537 10.575 4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.284 11.359 2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.430 9.425 1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.753 8.737 3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.185 10.551 3.686 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.614 11.562 2.374 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.543 9.542 0.876 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.529 9.245 2.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.647 10.707 0.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.326 11.536 2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.370 11.824 0.813 1.00 0.00 H new ATOM 238 N LEU A 19 -2.292 10.568 1.581 1.00 0.00 N ATOM 239 CA LEU A 19 -1.160 11.447 1.308 1.00 0.00 C ATOM 240 C LEU A 19 -1.562 12.573 0.360 1.00 0.00 C ATOM 241 O LEU A 19 -1.988 12.326 -0.768 1.00 0.00 O ATOM 242 CB LEU A 19 -0.002 10.649 0.708 1.00 0.00 C ATOM 243 CG LEU A 19 0.994 10.057 1.707 1.00 0.00 C ATOM 244 CD1 LEU A 19 0.546 8.674 2.152 1.00 0.00 C ATOM 245 CD2 LEU A 19 2.388 9.998 1.099 1.00 0.00 C ATOM 0 H LEU A 19 -2.556 9.965 0.801 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.838 11.888 2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.417 9.835 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.543 11.298 0.023 1.00 0.00 H new ATOM 0 HG LEU A 19 1.028 10.704 2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.267 8.269 2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.432 8.744 2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.482 8.016 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.083 9.574 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.369 9.373 0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.711 11.004 0.831 1.00 0.00 H new ATOM 257 N SER A 20 -1.420 13.810 0.825 1.00 0.00 N ATOM 258 CA SER A 20 -1.769 14.974 0.020 1.00 0.00 C ATOM 259 C SER A 20 -0.659 16.020 0.066 1.00 0.00 C ATOM 260 O SER A 20 -0.394 16.616 1.111 1.00 0.00 O ATOM 261 CB SER A 20 -3.083 15.586 0.512 1.00 0.00 C ATOM 262 OG SER A 20 -3.029 15.860 1.901 1.00 0.00 O ATOM 0 H SER A 20 -1.066 14.032 1.755 1.00 0.00 H new ATOM 0 HA SER A 20 -1.893 14.647 -1.012 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.287 16.506 -0.036 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.906 14.902 0.305 1.00 0.00 H new ATOM 0 HG SER A 20 -2.170 16.278 2.119 1.00 0.00 H new ATOM 268 N LYS A 21 -0.013 16.238 -1.074 1.00 0.00 N ATOM 269 CA LYS A 21 1.068 17.212 -1.166 1.00 0.00 C ATOM 270 C LYS A 21 0.574 18.517 -1.782 1.00 0.00 C ATOM 271 O LYS A 21 -0.618 18.677 -2.044 1.00 0.00 O ATOM 272 CB LYS A 21 2.221 16.647 -2.000 1.00 0.00 C ATOM 273 CG LYS A 21 1.937 16.621 -3.492 1.00 0.00 C ATOM 274 CD LYS A 21 0.896 15.572 -3.843 1.00 0.00 C ATOM 275 CE LYS A 21 1.073 15.066 -5.266 1.00 0.00 C ATOM 276 NZ LYS A 21 0.879 16.150 -6.269 1.00 0.00 N ATOM 0 H LYS A 21 -0.219 15.753 -1.947 1.00 0.00 H new ATOM 0 HA LYS A 21 1.424 17.419 -0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.115 17.243 -1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.440 15.634 -1.663 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.589 17.602 -3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.859 16.416 -4.035 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.970 14.737 -3.147 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.102 15.995 -3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.070 14.641 -5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.361 14.263 -5.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.755 15.731 -7.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.034 16.704 -6.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.712 16.772 -6.273 1.00 0.00 H new ATOM 290 N GLN A 22 1.497 19.445 -2.011 1.00 0.00 N ATOM 291 CA GLN A 22 1.153 20.736 -2.597 1.00 0.00 C ATOM 292 C GLN A 22 1.613 20.814 -4.049 1.00 0.00 C ATOM 293 O GLN A 22 2.572 20.151 -4.442 1.00 0.00 O ATOM 294 CB GLN A 22 1.783 21.871 -1.787 1.00 0.00 C ATOM 295 CG GLN A 22 1.085 22.134 -0.463 1.00 0.00 C ATOM 296 CD GLN A 22 1.692 23.298 0.295 1.00 0.00 C ATOM 297 OE1 GLN A 22 2.393 24.131 -0.281 1.00 0.00 O ATOM 298 NE2 GLN A 22 1.424 23.363 1.594 1.00 0.00 N ATOM 0 H GLN A 22 2.488 19.328 -1.800 1.00 0.00 H new ATOM 0 HA GLN A 22 0.068 20.841 -2.573 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.829 21.632 -1.595 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.768 22.783 -2.383 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.030 22.336 -0.647 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.135 21.237 0.155 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.838 22.651 2.030 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.804 24.125 2.156 1.00 0.00 H new ATOM 307 N GLU A 23 0.922 21.629 -4.840 1.00 0.00 N ATOM 308 CA GLU A 23 1.260 21.792 -6.249 1.00 0.00 C ATOM 309 C GLU A 23 2.748 22.082 -6.422 1.00 0.00 C ATOM 310 O GLU A 23 3.200 23.207 -6.212 1.00 0.00 O ATOM 311 CB GLU A 23 0.433 22.922 -6.867 1.00 0.00 C ATOM 312 CG GLU A 23 0.146 22.728 -8.346 1.00 0.00 C ATOM 313 CD GLU A 23 0.010 24.041 -9.092 1.00 0.00 C ATOM 314 OE1 GLU A 23 1.007 24.791 -9.156 1.00 0.00 O ATOM 315 OE2 GLU A 23 -1.091 24.319 -9.610 1.00 0.00 O ATOM 0 H GLU A 23 0.126 22.186 -4.529 1.00 0.00 H new ATOM 0 HA GLU A 23 1.028 20.859 -6.762 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.512 23.005 -6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.962 23.865 -6.729 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.948 22.142 -8.794 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.772 22.152 -8.461 1.00 0.00 H new ATOM 322 N GLY A 24 3.504 21.058 -6.805 1.00 0.00 N ATOM 323 CA GLY A 24 4.933 21.222 -6.999 1.00 0.00 C ATOM 324 C GLY A 24 5.740 20.706 -5.824 1.00 0.00 C ATOM 325 O GLY A 24 6.903 21.072 -5.655 1.00 0.00 O ATOM 0 H GLY A 24 3.152 20.117 -6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.237 20.695 -7.904 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.157 22.277 -7.154 1.00 0.00 H new ATOM 329 N GLN A 25 5.122 19.856 -5.011 1.00 0.00 N ATOM 330 CA GLN A 25 5.791 19.292 -3.845 1.00 0.00 C ATOM 331 C GLN A 25 5.907 17.776 -3.965 1.00 0.00 C ATOM 332 O GLN A 25 5.155 17.143 -4.705 1.00 0.00 O ATOM 333 CB GLN A 25 5.033 19.658 -2.568 1.00 0.00 C ATOM 334 CG GLN A 25 5.884 19.580 -1.311 1.00 0.00 C ATOM 335 CD GLN A 25 6.915 20.688 -1.235 1.00 0.00 C ATOM 336 OE1 GLN A 25 7.015 21.522 -2.136 1.00 0.00 O ATOM 337 NE2 GLN A 25 7.690 20.703 -0.157 1.00 0.00 N ATOM 0 H GLN A 25 4.160 19.543 -5.138 1.00 0.00 H new ATOM 0 HA GLN A 25 6.795 19.713 -3.795 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.638 20.669 -2.667 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.178 18.991 -2.459 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.237 19.630 -0.435 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.390 18.615 -1.279 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.573 19.992 0.565 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.403 21.425 -0.051 1.00 0.00 H new ATOM 346 N ASN A 26 6.854 17.199 -3.232 1.00 0.00 N ATOM 347 CA ASN A 26 7.069 15.757 -3.257 1.00 0.00 C ATOM 348 C ASN A 26 6.345 15.079 -2.097 1.00 0.00 C ATOM 349 O ASN A 26 5.924 15.737 -1.145 1.00 0.00 O ATOM 350 CB ASN A 26 8.565 15.442 -3.193 1.00 0.00 C ATOM 351 CG ASN A 26 8.914 14.149 -3.904 1.00 0.00 C ATOM 352 OD1 ASN A 26 8.107 13.221 -3.959 1.00 0.00 O ATOM 353 ND2 ASN A 26 10.122 14.083 -4.452 1.00 0.00 N ATOM 0 H ASN A 26 7.485 17.708 -2.613 1.00 0.00 H new ATOM 0 HA ASN A 26 6.663 15.370 -4.192 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.126 16.262 -3.641 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.875 15.375 -2.150 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.414 13.238 -4.943 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.758 14.877 -4.381 1.00 0.00 H new ATOM 360 N TYR A 27 6.205 13.761 -2.184 1.00 0.00 N ATOM 361 CA TYR A 27 5.531 12.994 -1.143 1.00 0.00 C ATOM 362 C TYR A 27 6.495 12.641 -0.016 1.00 0.00 C ATOM 363 O TYR A 27 6.128 12.656 1.158 1.00 0.00 O ATOM 364 CB TYR A 27 4.927 11.718 -1.732 1.00 0.00 C ATOM 365 CG TYR A 27 3.551 11.917 -2.327 1.00 0.00 C ATOM 366 CD1 TYR A 27 2.521 12.469 -1.575 1.00 0.00 C ATOM 367 CD2 TYR A 27 3.282 11.555 -3.641 1.00 0.00 C ATOM 368 CE1 TYR A 27 1.262 12.653 -2.114 1.00 0.00 C ATOM 369 CE2 TYR A 27 2.026 11.736 -4.189 1.00 0.00 C ATOM 370 CZ TYR A 27 1.020 12.285 -3.421 1.00 0.00 C ATOM 371 OH TYR A 27 -0.232 12.467 -3.963 1.00 0.00 O ATOM 0 H TYR A 27 6.549 13.202 -2.964 1.00 0.00 H new ATOM 0 HA TYR A 27 4.732 13.611 -0.732 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.594 11.332 -2.503 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.870 10.959 -0.951 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.708 12.759 -0.552 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.068 11.125 -4.245 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.472 13.082 -1.515 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.833 11.449 -5.212 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.650 13.257 -3.562 1.00 0.00 H new ATOM 381 N GLY A 28 7.733 12.322 -0.382 1.00 0.00 N ATOM 382 CA GLY A 28 8.733 11.970 0.609 1.00 0.00 C ATOM 383 C GLY A 28 9.037 10.485 0.623 1.00 0.00 C ATOM 384 O GLY A 28 10.159 10.076 0.923 1.00 0.00 O ATOM 0 H GLY A 28 8.061 12.301 -1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.650 12.524 0.408 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.386 12.276 1.596 1.00 0.00 H new ATOM 388 N PHE A 29 8.035 9.674 0.299 1.00 0.00 N ATOM 389 CA PHE A 29 8.199 8.226 0.278 1.00 0.00 C ATOM 390 C PHE A 29 8.146 7.693 -1.151 1.00 0.00 C ATOM 391 O PHE A 29 7.399 8.200 -1.987 1.00 0.00 O ATOM 392 CB PHE A 29 7.115 7.556 1.125 1.00 0.00 C ATOM 393 CG PHE A 29 5.874 7.216 0.350 1.00 0.00 C ATOM 394 CD1 PHE A 29 5.106 8.215 -0.226 1.00 0.00 C ATOM 395 CD2 PHE A 29 5.475 5.898 0.199 1.00 0.00 C ATOM 396 CE1 PHE A 29 3.963 7.906 -0.940 1.00 0.00 C ATOM 397 CE2 PHE A 29 4.334 5.582 -0.514 1.00 0.00 C ATOM 398 CZ PHE A 29 3.576 6.588 -1.083 1.00 0.00 C ATOM 0 H PHE A 29 7.100 9.996 0.047 1.00 0.00 H new ATOM 0 HA PHE A 29 9.176 7.990 0.699 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.520 6.645 1.565 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.849 8.217 1.950 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.404 9.247 -0.116 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.062 5.108 0.644 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.374 8.694 -1.385 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.035 4.550 -0.626 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.683 6.344 -1.638 1.00 0.00 H new ATOM 408 N PHE A 30 8.945 6.666 -1.423 1.00 0.00 N ATOM 409 CA PHE A 30 8.991 6.064 -2.750 1.00 0.00 C ATOM 410 C PHE A 30 8.622 4.585 -2.690 1.00 0.00 C ATOM 411 O PHE A 30 9.060 3.860 -1.795 1.00 0.00 O ATOM 412 CB PHE A 30 10.385 6.229 -3.360 1.00 0.00 C ATOM 413 CG PHE A 30 10.748 7.658 -3.647 1.00 0.00 C ATOM 414 CD1 PHE A 30 10.262 8.298 -4.776 1.00 0.00 C ATOM 415 CD2 PHE A 30 11.576 8.362 -2.787 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.595 9.613 -5.042 1.00 0.00 C ATOM 417 CE2 PHE A 30 11.911 9.677 -3.048 1.00 0.00 C ATOM 418 CZ PHE A 30 11.421 10.303 -4.177 1.00 0.00 C ATOM 0 H PHE A 30 9.569 6.234 -0.742 1.00 0.00 H new ATOM 0 HA PHE A 30 8.263 6.576 -3.379 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.123 5.805 -2.680 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.438 5.656 -4.286 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.616 7.763 -5.456 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.964 7.877 -1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.210 10.100 -5.925 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.556 10.215 -2.369 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.683 11.330 -4.383 1.00 0.00 H new ATOM 428 N LEU A 31 7.814 4.143 -3.647 1.00 0.00 N ATOM 429 CA LEU A 31 7.385 2.750 -3.704 1.00 0.00 C ATOM 430 C LEU A 31 8.437 1.883 -4.388 1.00 0.00 C ATOM 431 O LEU A 31 8.528 1.852 -5.615 1.00 0.00 O ATOM 432 CB LEU A 31 6.053 2.636 -4.448 1.00 0.00 C ATOM 433 CG LEU A 31 4.866 3.363 -3.814 1.00 0.00 C ATOM 434 CD1 LEU A 31 3.825 3.706 -4.868 1.00 0.00 C ATOM 435 CD2 LEU A 31 4.250 2.515 -2.710 1.00 0.00 C ATOM 0 H LEU A 31 7.443 4.729 -4.394 1.00 0.00 H new ATOM 0 HA LEU A 31 7.256 2.394 -2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.190 3.019 -5.459 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.800 1.580 -4.539 1.00 0.00 H new ATOM 0 HG LEU A 31 5.227 4.292 -3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.988 4.223 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.272 4.352 -5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.468 2.790 -5.338 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.407 3.047 -2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.904 1.569 -3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.997 2.320 -1.941 1.00 0.00 H new ATOM 447 N ARG A 32 9.229 1.180 -3.585 1.00 0.00 N ATOM 448 CA ARG A 32 10.275 0.312 -4.112 1.00 0.00 C ATOM 449 C ARG A 32 9.926 -1.157 -3.889 1.00 0.00 C ATOM 450 O ARG A 32 8.924 -1.476 -3.249 1.00 0.00 O ATOM 451 CB ARG A 32 11.616 0.634 -3.452 1.00 0.00 C ATOM 452 CG ARG A 32 12.051 2.080 -3.630 1.00 0.00 C ATOM 453 CD ARG A 32 13.566 2.210 -3.629 1.00 0.00 C ATOM 454 NE ARG A 32 14.160 1.703 -4.863 1.00 0.00 N ATOM 455 CZ ARG A 32 15.371 2.042 -5.289 1.00 0.00 C ATOM 456 NH1 ARG A 32 16.114 2.884 -4.583 1.00 0.00 N ATOM 457 NH2 ARG A 32 15.842 1.538 -6.423 1.00 0.00 N ATOM 0 H ARG A 32 9.166 1.195 -2.567 1.00 0.00 H new ATOM 0 HA ARG A 32 10.354 0.491 -5.184 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.550 0.412 -2.387 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.382 -0.021 -3.867 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.652 2.468 -4.567 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.632 2.688 -2.829 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.840 3.257 -3.498 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.976 1.665 -2.779 1.00 0.00 H new ATOM 0 HE ARG A 32 13.615 1.053 -5.429 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.755 3.273 -3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.044 3.143 -4.912 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.274 0.890 -6.968 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.772 1.799 -6.750 1.00 0.00 H new ATOM 471 N ILE A 33 10.758 -2.045 -4.421 1.00 0.00 N ATOM 472 CA ILE A 33 10.538 -3.479 -4.279 1.00 0.00 C ATOM 473 C ILE A 33 11.746 -4.161 -3.645 1.00 0.00 C ATOM 474 O ILE A 33 12.889 -3.805 -3.926 1.00 0.00 O ATOM 475 CB ILE A 33 10.244 -4.141 -5.639 1.00 0.00 C ATOM 476 CG1 ILE A 33 11.323 -3.766 -6.657 1.00 0.00 C ATOM 477 CG2 ILE A 33 8.869 -3.730 -6.142 1.00 0.00 C ATOM 478 CD1 ILE A 33 11.170 -4.469 -7.987 1.00 0.00 C ATOM 0 H ILE A 33 11.591 -1.797 -4.955 1.00 0.00 H new ATOM 0 HA ILE A 33 9.672 -3.602 -3.629 1.00 0.00 H new ATOM 0 HB ILE A 33 10.253 -5.223 -5.509 1.00 0.00 H new ATOM 0 HG12 ILE A 33 11.298 -2.689 -6.820 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.302 -4.003 -6.241 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.676 -4.206 -7.104 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.111 -4.042 -5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.833 -2.647 -6.259 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.969 -4.155 -8.659 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.225 -5.547 -7.837 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.206 -4.212 -8.425 1.00 0.00 H new ATOM 490 N GLU A 34 11.482 -5.143 -2.790 1.00 0.00 N ATOM 491 CA GLU A 34 12.548 -5.876 -2.117 1.00 0.00 C ATOM 492 C GLU A 34 12.662 -7.296 -2.664 1.00 0.00 C ATOM 493 O GLU A 34 11.656 -7.955 -2.928 1.00 0.00 O ATOM 494 CB GLU A 34 12.295 -5.918 -0.608 1.00 0.00 C ATOM 495 CG GLU A 34 13.543 -6.200 0.211 1.00 0.00 C ATOM 496 CD GLU A 34 13.230 -6.524 1.659 1.00 0.00 C ATOM 497 OE1 GLU A 34 12.830 -5.601 2.399 1.00 0.00 O ATOM 498 OE2 GLU A 34 13.384 -7.699 2.051 1.00 0.00 O ATOM 0 H GLU A 34 10.540 -5.450 -2.547 1.00 0.00 H new ATOM 0 HA GLU A 34 13.487 -5.356 -2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.871 -4.964 -0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.550 -6.684 -0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.085 -7.034 -0.235 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.203 -5.333 0.171 1.00 0.00 H new ATOM 505 N LYS A 35 13.895 -7.762 -2.831 1.00 0.00 N ATOM 506 CA LYS A 35 14.143 -9.103 -3.346 1.00 0.00 C ATOM 507 C LYS A 35 13.473 -10.155 -2.469 1.00 0.00 C ATOM 508 O LYS A 35 13.308 -9.959 -1.264 1.00 0.00 O ATOM 509 CB LYS A 35 15.648 -9.372 -3.423 1.00 0.00 C ATOM 510 CG LYS A 35 16.338 -9.359 -2.070 1.00 0.00 C ATOM 511 CD LYS A 35 17.598 -10.209 -2.079 1.00 0.00 C ATOM 512 CE LYS A 35 18.141 -10.415 -0.673 1.00 0.00 C ATOM 513 NZ LYS A 35 17.278 -11.328 0.126 1.00 0.00 N ATOM 0 H LYS A 35 14.739 -7.230 -2.617 1.00 0.00 H new ATOM 0 HA LYS A 35 13.717 -9.165 -4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.812 -10.340 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.110 -8.622 -4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.591 -8.334 -1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.653 -9.730 -1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 35 17.382 -11.177 -2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.357 -9.730 -2.697 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.149 -10.825 -0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.216 -9.452 -0.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.784 -11.618 0.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.401 -10.835 0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.046 -12.170 -0.439 1.00 0.00 H new ATOM 527 N ASP A 36 13.090 -11.271 -3.079 1.00 0.00 N ATOM 528 CA ASP A 36 12.439 -12.356 -2.353 1.00 0.00 C ATOM 529 C ASP A 36 11.431 -11.808 -1.348 1.00 0.00 C ATOM 530 O ASP A 36 11.368 -12.261 -0.204 1.00 0.00 O ATOM 531 CB ASP A 36 13.482 -13.213 -1.632 1.00 0.00 C ATOM 532 CG ASP A 36 14.326 -14.026 -2.593 1.00 0.00 C ATOM 533 OD1 ASP A 36 13.763 -14.902 -3.284 1.00 0.00 O ATOM 534 OD2 ASP A 36 15.550 -13.787 -2.655 1.00 0.00 O ATOM 0 H ASP A 36 13.219 -11.448 -4.075 1.00 0.00 H new ATOM 0 HA ASP A 36 11.906 -12.976 -3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.131 -12.568 -1.039 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.979 -13.885 -0.937 1.00 0.00 H new ATOM 539 N THR A 37 10.642 -10.829 -1.781 1.00 0.00 N ATOM 540 CA THR A 37 9.638 -10.218 -0.920 1.00 0.00 C ATOM 541 C THR A 37 8.366 -9.901 -1.698 1.00 0.00 C ATOM 542 O THR A 37 8.405 -9.687 -2.909 1.00 0.00 O ATOM 543 CB THR A 37 10.166 -8.925 -0.272 1.00 0.00 C ATOM 544 OG1 THR A 37 11.345 -9.205 0.491 1.00 0.00 O ATOM 545 CG2 THR A 37 9.110 -8.300 0.628 1.00 0.00 C ATOM 0 H THR A 37 10.680 -10.442 -2.724 1.00 0.00 H new ATOM 0 HA THR A 37 9.411 -10.941 -0.137 1.00 0.00 H new ATOM 0 HB THR A 37 10.407 -8.219 -1.067 1.00 0.00 H new ATOM 0 HG1 THR A 37 12.106 -9.324 -0.115 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.506 -7.388 1.075 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.225 -8.061 0.039 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.842 -9.003 1.417 1.00 0.00 H new ATOM 553 N ASP A 38 7.240 -9.871 -0.994 1.00 0.00 N ATOM 554 CA ASP A 38 5.955 -9.578 -1.619 1.00 0.00 C ATOM 555 C ASP A 38 5.477 -8.178 -1.247 1.00 0.00 C ATOM 556 O ASP A 38 5.787 -7.671 -0.170 1.00 0.00 O ATOM 557 CB ASP A 38 4.911 -10.614 -1.200 1.00 0.00 C ATOM 558 CG ASP A 38 3.851 -10.830 -2.261 1.00 0.00 C ATOM 559 OD1 ASP A 38 3.289 -9.827 -2.750 1.00 0.00 O ATOM 560 OD2 ASP A 38 3.581 -12.000 -2.602 1.00 0.00 O ATOM 0 H ASP A 38 7.191 -10.046 0.010 1.00 0.00 H new ATOM 0 HA ASP A 38 6.086 -9.623 -2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.408 -11.561 -0.989 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.434 -10.291 -0.275 1.00 0.00 H new ATOM 565 N GLY A 39 4.722 -7.557 -2.148 1.00 0.00 N ATOM 566 CA GLY A 39 4.215 -6.221 -1.897 1.00 0.00 C ATOM 567 C GLY A 39 5.267 -5.151 -2.114 1.00 0.00 C ATOM 568 O GLY A 39 6.370 -5.440 -2.577 1.00 0.00 O ATOM 0 H GLY A 39 4.452 -7.956 -3.047 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.365 -6.029 -2.552 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.847 -6.162 -0.873 1.00 0.00 H new ATOM 572 N HIS A 40 4.925 -3.910 -1.780 1.00 0.00 N ATOM 573 CA HIS A 40 5.848 -2.793 -1.942 1.00 0.00 C ATOM 574 C HIS A 40 6.255 -2.223 -0.586 1.00 0.00 C ATOM 575 O HIS A 40 5.406 -1.822 0.210 1.00 0.00 O ATOM 576 CB HIS A 40 5.212 -1.698 -2.798 1.00 0.00 C ATOM 577 CG HIS A 40 5.359 -1.928 -4.271 1.00 0.00 C ATOM 578 ND1 HIS A 40 6.462 -1.520 -4.990 1.00 0.00 N ATOM 579 CD2 HIS A 40 4.534 -2.529 -5.160 1.00 0.00 C ATOM 580 CE1 HIS A 40 6.309 -1.859 -6.257 1.00 0.00 C ATOM 581 NE2 HIS A 40 5.147 -2.473 -6.387 1.00 0.00 N ATOM 0 H HIS A 40 4.016 -3.653 -1.396 1.00 0.00 H new ATOM 0 HA HIS A 40 6.742 -3.163 -2.444 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.152 -1.627 -2.554 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.663 -0.740 -2.541 1.00 0.00 H new ATOM 0 HD1 HIS A 40 7.270 -1.032 -4.604 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.572 -2.970 -4.944 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.014 -1.667 -7.052 1.00 0.00 H new ATOM 590 N LEU A 41 7.558 -2.192 -0.330 1.00 0.00 N ATOM 591 CA LEU A 41 8.078 -1.671 0.930 1.00 0.00 C ATOM 592 C LEU A 41 8.434 -0.194 0.803 1.00 0.00 C ATOM 593 O LEU A 41 9.116 0.212 -0.138 1.00 0.00 O ATOM 594 CB LEU A 41 9.309 -2.469 1.364 1.00 0.00 C ATOM 595 CG LEU A 41 9.044 -3.885 1.877 1.00 0.00 C ATOM 596 CD1 LEU A 41 8.893 -4.854 0.715 1.00 0.00 C ATOM 597 CD2 LEU A 41 10.164 -4.334 2.806 1.00 0.00 C ATOM 0 H LEU A 41 8.274 -2.521 -0.978 1.00 0.00 H new ATOM 0 HA LEU A 41 7.300 -1.774 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.993 -2.533 0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.822 -1.910 2.147 1.00 0.00 H new ATOM 0 HG LEU A 41 8.111 -3.878 2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.705 -5.857 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.057 -4.543 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.808 -4.858 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.959 -5.344 3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.111 -4.325 2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.225 -3.655 3.657 1.00 0.00 H new ATOM 609 N ILE A 42 7.970 0.605 1.758 1.00 0.00 N ATOM 610 CA ILE A 42 8.242 2.037 1.755 1.00 0.00 C ATOM 611 C ILE A 42 9.619 2.336 2.339 1.00 0.00 C ATOM 612 O ILE A 42 9.905 1.993 3.486 1.00 0.00 O ATOM 613 CB ILE A 42 7.179 2.814 2.553 1.00 0.00 C ATOM 614 CG1 ILE A 42 5.838 2.789 1.816 1.00 0.00 C ATOM 615 CG2 ILE A 42 7.634 4.247 2.787 1.00 0.00 C ATOM 616 CD1 ILE A 42 5.020 1.547 2.092 1.00 0.00 C ATOM 0 H ILE A 42 7.404 0.285 2.544 1.00 0.00 H new ATOM 0 HA ILE A 42 8.212 2.361 0.715 1.00 0.00 H new ATOM 0 HB ILE A 42 7.049 2.332 3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.259 3.667 2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.020 2.863 0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.872 4.783 3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.568 4.245 3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.789 4.741 1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.083 1.598 1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.580 0.666 1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.807 1.482 3.159 1.00 0.00 H new ATOM 628 N ARG A 43 10.466 2.979 1.543 1.00 0.00 N ATOM 629 CA ARG A 43 11.813 3.325 1.981 1.00 0.00 C ATOM 630 C ARG A 43 12.214 4.705 1.467 1.00 0.00 C ATOM 631 O ARG A 43 11.618 5.225 0.524 1.00 0.00 O ATOM 632 CB ARG A 43 12.816 2.277 1.495 1.00 0.00 C ATOM 633 CG ARG A 43 12.717 0.952 2.233 1.00 0.00 C ATOM 634 CD ARG A 43 11.720 0.016 1.568 1.00 0.00 C ATOM 635 NE ARG A 43 12.251 -0.564 0.337 1.00 0.00 N ATOM 636 CZ ARG A 43 13.078 -1.603 0.312 1.00 0.00 C ATOM 637 NH1 ARG A 43 13.467 -2.173 1.444 1.00 0.00 N ATOM 638 NH2 ARG A 43 13.518 -2.073 -0.848 1.00 0.00 N ATOM 0 H ARG A 43 10.244 3.271 0.591 1.00 0.00 H new ATOM 0 HA ARG A 43 11.819 3.346 3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.660 2.103 0.430 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.825 2.672 1.609 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.698 0.478 2.264 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.417 1.131 3.265 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.455 -0.783 2.261 1.00 0.00 H new ATOM 0 HD3 ARG A 43 10.803 0.562 1.346 1.00 0.00 H new ATOM 0 HE ARG A 43 11.972 -0.149 -0.552 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.131 -1.814 2.338 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.102 -2.971 1.421 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.221 -1.636 -1.721 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.153 -2.871 -0.867 1.00 0.00 H new ATOM 652 N VAL A 44 13.228 5.293 2.094 1.00 0.00 N ATOM 653 CA VAL A 44 13.710 6.611 1.700 1.00 0.00 C ATOM 654 C VAL A 44 12.737 7.703 2.132 1.00 0.00 C ATOM 655 O VAL A 44 12.556 8.700 1.431 1.00 0.00 O ATOM 656 CB VAL A 44 13.921 6.700 0.177 1.00 0.00 C ATOM 657 CG1 VAL A 44 14.720 7.944 -0.180 1.00 0.00 C ATOM 658 CG2 VAL A 44 14.611 5.446 -0.339 1.00 0.00 C ATOM 0 H VAL A 44 13.732 4.877 2.877 1.00 0.00 H new ATOM 0 HA VAL A 44 14.667 6.761 2.201 1.00 0.00 H new ATOM 0 HB VAL A 44 12.946 6.774 -0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.859 7.990 -1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.181 8.831 0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.693 7.904 0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.752 5.526 -1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.581 5.338 0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.995 4.574 -0.117 1.00 0.00 H new ATOM 668 N ILE A 45 12.114 7.509 3.289 1.00 0.00 N ATOM 669 CA ILE A 45 11.161 8.478 3.815 1.00 0.00 C ATOM 670 C ILE A 45 11.860 9.768 4.230 1.00 0.00 C ATOM 671 O ILE A 45 12.393 9.869 5.334 1.00 0.00 O ATOM 672 CB ILE A 45 10.392 7.913 5.024 1.00 0.00 C ATOM 673 CG1 ILE A 45 9.716 6.591 4.654 1.00 0.00 C ATOM 674 CG2 ILE A 45 9.364 8.920 5.516 1.00 0.00 C ATOM 675 CD1 ILE A 45 9.154 5.845 5.844 1.00 0.00 C ATOM 0 H ILE A 45 12.252 6.689 3.880 1.00 0.00 H new ATOM 0 HA ILE A 45 10.455 8.692 3.013 1.00 0.00 H new ATOM 0 HB ILE A 45 11.101 7.724 5.830 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.911 6.790 3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.438 5.953 4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.829 8.506 6.371 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.869 9.839 5.814 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.656 9.138 4.716 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.690 4.918 5.506 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.959 5.615 6.542 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.408 6.464 6.342 1.00 0.00 H new ATOM 687 N GLU A 46 11.853 10.752 3.336 1.00 0.00 N ATOM 688 CA GLU A 46 12.486 12.037 3.611 1.00 0.00 C ATOM 689 C GLU A 46 11.834 12.720 4.808 1.00 0.00 C ATOM 690 O GLU A 46 10.750 12.332 5.242 1.00 0.00 O ATOM 691 CB GLU A 46 12.401 12.945 2.382 1.00 0.00 C ATOM 692 CG GLU A 46 13.563 12.775 1.418 1.00 0.00 C ATOM 693 CD GLU A 46 13.310 13.436 0.077 1.00 0.00 C ATOM 694 OE1 GLU A 46 12.593 14.457 0.044 1.00 0.00 O ATOM 695 OE2 GLU A 46 13.830 12.931 -0.940 1.00 0.00 O ATOM 0 H GLU A 46 11.417 10.684 2.416 1.00 0.00 H new ATOM 0 HA GLU A 46 13.534 11.854 3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.469 12.741 1.854 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.361 13.984 2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.464 13.197 1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.751 11.712 1.265 1.00 0.00 H new ATOM 702 N GLU A 47 12.503 13.740 5.338 1.00 0.00 N ATOM 703 CA GLU A 47 11.988 14.477 6.486 1.00 0.00 C ATOM 704 C GLU A 47 11.083 15.620 6.038 1.00 0.00 C ATOM 705 O GLU A 47 11.188 16.105 4.912 1.00 0.00 O ATOM 706 CB GLU A 47 13.143 15.025 7.327 1.00 0.00 C ATOM 707 CG GLU A 47 12.815 15.148 8.805 1.00 0.00 C ATOM 708 CD GLU A 47 13.762 16.078 9.538 1.00 0.00 C ATOM 709 OE1 GLU A 47 13.935 17.228 9.083 1.00 0.00 O ATOM 710 OE2 GLU A 47 14.330 15.655 10.567 1.00 0.00 O ATOM 0 H GLU A 47 13.402 14.074 4.991 1.00 0.00 H new ATOM 0 HA GLU A 47 11.400 13.789 7.093 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.009 14.373 7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.427 16.005 6.944 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.794 15.513 8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.853 14.161 9.265 1.00 0.00 H new ATOM 717 N GLY A 48 10.193 16.047 6.929 1.00 0.00 N ATOM 718 CA GLY A 48 9.281 17.129 6.607 1.00 0.00 C ATOM 719 C GLY A 48 8.450 16.839 5.372 1.00 0.00 C ATOM 720 O GLY A 48 8.156 17.742 4.588 1.00 0.00 O ATOM 0 H GLY A 48 10.087 15.663 7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.618 17.305 7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.850 18.046 6.451 1.00 0.00 H new ATOM 724 N SER A 49 8.073 15.577 5.198 1.00 0.00 N ATOM 725 CA SER A 49 7.275 15.170 4.046 1.00 0.00 C ATOM 726 C SER A 49 5.853 14.816 4.469 1.00 0.00 C ATOM 727 O SER A 49 5.591 14.449 5.614 1.00 0.00 O ATOM 728 CB SER A 49 7.924 13.974 3.347 1.00 0.00 C ATOM 729 OG SER A 49 7.450 12.751 3.884 1.00 0.00 O ATOM 0 H SER A 49 8.307 14.819 5.839 1.00 0.00 H new ATOM 0 HA SER A 49 7.231 16.008 3.351 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.710 14.013 2.279 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.007 14.028 3.457 1.00 0.00 H new ATOM 0 HG SER A 49 8.149 12.068 3.809 1.00 0.00 H new ATOM 735 N PRO A 50 4.910 14.929 3.521 1.00 0.00 N ATOM 736 CA PRO A 50 3.497 14.626 3.770 1.00 0.00 C ATOM 737 C PRO A 50 3.252 13.135 3.974 1.00 0.00 C ATOM 738 O PRO A 50 2.150 12.721 4.334 1.00 0.00 O ATOM 739 CB PRO A 50 2.801 15.113 2.497 1.00 0.00 C ATOM 740 CG PRO A 50 3.851 15.052 1.443 1.00 0.00 C ATOM 741 CD PRO A 50 5.150 15.362 2.134 1.00 0.00 C ATOM 0 HA PRO A 50 3.132 15.101 4.680 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.950 14.480 2.245 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.420 16.127 2.618 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.881 14.066 0.979 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.650 15.772 0.649 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.984 14.823 1.683 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.390 16.424 2.080 1.00 0.00 H new ATOM 749 N ALA A 51 4.286 12.333 3.743 1.00 0.00 N ATOM 750 CA ALA A 51 4.182 10.888 3.904 1.00 0.00 C ATOM 751 C ALA A 51 4.455 10.475 5.346 1.00 0.00 C ATOM 752 O ALA A 51 3.896 9.496 5.837 1.00 0.00 O ATOM 753 CB ALA A 51 5.144 10.181 2.960 1.00 0.00 C ATOM 0 H ALA A 51 5.205 12.659 3.444 1.00 0.00 H new ATOM 0 HA ALA A 51 3.163 10.592 3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.056 9.103 3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.901 10.443 1.930 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.165 10.491 3.182 1.00 0.00 H new ATOM 759 N GLU A 52 5.320 11.229 6.019 1.00 0.00 N ATOM 760 CA GLU A 52 5.667 10.940 7.405 1.00 0.00 C ATOM 761 C GLU A 52 4.648 11.553 8.361 1.00 0.00 C ATOM 762 O GLU A 52 4.326 10.974 9.399 1.00 0.00 O ATOM 763 CB GLU A 52 7.066 11.470 7.725 1.00 0.00 C ATOM 764 CG GLU A 52 7.670 10.873 8.985 1.00 0.00 C ATOM 765 CD GLU A 52 7.716 9.358 8.949 1.00 0.00 C ATOM 766 OE1 GLU A 52 6.663 8.726 9.174 1.00 0.00 O ATOM 767 OE2 GLU A 52 8.806 8.804 8.694 1.00 0.00 O ATOM 0 H GLU A 52 5.792 12.043 5.627 1.00 0.00 H new ATOM 0 HA GLU A 52 5.657 9.858 7.537 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.726 11.262 6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.019 12.554 7.833 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.680 11.260 9.118 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.089 11.195 9.849 1.00 0.00 H new ATOM 774 N LYS A 53 4.144 12.729 8.004 1.00 0.00 N ATOM 775 CA LYS A 53 3.161 13.423 8.828 1.00 0.00 C ATOM 776 C LYS A 53 1.974 12.516 9.138 1.00 0.00 C ATOM 777 O LYS A 53 1.405 12.574 10.227 1.00 0.00 O ATOM 778 CB LYS A 53 2.677 14.691 8.121 1.00 0.00 C ATOM 779 CG LYS A 53 1.883 14.417 6.856 1.00 0.00 C ATOM 780 CD LYS A 53 1.304 15.695 6.273 1.00 0.00 C ATOM 781 CE LYS A 53 0.465 15.413 5.036 1.00 0.00 C ATOM 782 NZ LYS A 53 -0.628 16.411 4.867 1.00 0.00 N ATOM 0 H LYS A 53 4.400 13.222 7.149 1.00 0.00 H new ATOM 0 HA LYS A 53 3.640 13.699 9.767 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.059 15.268 8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.539 15.310 7.872 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.527 13.938 6.118 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.076 13.718 7.076 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.691 16.194 7.024 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.113 16.379 6.017 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.105 15.422 4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.036 14.414 5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.177 16.184 4.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.253 16.385 5.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.218 17.362 4.772 1.00 0.00 H new ATOM 796 N ALA A 54 1.607 11.678 8.173 1.00 0.00 N ATOM 797 CA ALA A 54 0.491 10.757 8.345 1.00 0.00 C ATOM 798 C ALA A 54 0.859 9.619 9.290 1.00 0.00 C ATOM 799 O ALA A 54 -0.012 8.992 9.892 1.00 0.00 O ATOM 800 CB ALA A 54 0.049 10.206 6.998 1.00 0.00 C ATOM 0 H ALA A 54 2.067 11.619 7.264 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.338 11.308 8.789 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.785 9.519 7.142 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.264 11.028 6.354 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.879 9.675 6.532 1.00 0.00 H new ATOM 806 N GLY A 55 2.156 9.355 9.415 1.00 0.00 N ATOM 807 CA GLY A 55 2.617 8.291 10.288 1.00 0.00 C ATOM 808 C GLY A 55 3.142 7.096 9.518 1.00 0.00 C ATOM 809 O GLY A 55 3.212 5.987 10.050 1.00 0.00 O ATOM 0 H GLY A 55 2.896 9.859 8.927 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.403 8.674 10.939 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.797 7.973 10.932 1.00 0.00 H new ATOM 813 N LEU A 56 3.511 7.320 8.262 1.00 0.00 N ATOM 814 CA LEU A 56 4.032 6.252 7.416 1.00 0.00 C ATOM 815 C LEU A 56 5.496 5.967 7.737 1.00 0.00 C ATOM 816 O LEU A 56 6.354 6.841 7.601 1.00 0.00 O ATOM 817 CB LEU A 56 3.885 6.626 5.940 1.00 0.00 C ATOM 818 CG LEU A 56 3.871 5.460 4.950 1.00 0.00 C ATOM 819 CD1 LEU A 56 2.590 4.653 5.093 1.00 0.00 C ATOM 820 CD2 LEU A 56 4.026 5.970 3.524 1.00 0.00 C ATOM 0 H LEU A 56 3.459 8.231 7.807 1.00 0.00 H new ATOM 0 HA LEU A 56 3.454 5.350 7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.960 7.190 5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.703 7.294 5.672 1.00 0.00 H new ATOM 0 HG LEU A 56 4.714 4.807 5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.598 3.828 4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.521 4.257 6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.732 5.295 4.895 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.014 5.127 2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.203 6.645 3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.972 6.503 3.429 1.00 0.00 H new ATOM 832 N LEU A 57 5.776 4.740 8.161 1.00 0.00 N ATOM 833 CA LEU A 57 7.137 4.339 8.499 1.00 0.00 C ATOM 834 C LEU A 57 7.703 3.391 7.447 1.00 0.00 C ATOM 835 O LEU A 57 6.963 2.841 6.631 1.00 0.00 O ATOM 836 CB LEU A 57 7.165 3.668 9.874 1.00 0.00 C ATOM 837 CG LEU A 57 7.218 4.609 11.078 1.00 0.00 C ATOM 838 CD1 LEU A 57 5.826 5.117 11.420 1.00 0.00 C ATOM 839 CD2 LEU A 57 7.840 3.906 12.276 1.00 0.00 C ATOM 0 H LEU A 57 5.079 4.005 8.279 1.00 0.00 H new ATOM 0 HA LEU A 57 7.757 5.235 8.525 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.279 3.040 9.968 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.031 3.007 9.916 1.00 0.00 H new ATOM 0 HG LEU A 57 7.841 5.465 10.819 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.883 5.785 12.279 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.416 5.657 10.567 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.179 4.273 11.659 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.870 4.590 13.124 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.243 3.032 12.536 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.854 3.592 12.027 1.00 0.00 H new ATOM 851 N ASP A 58 9.018 3.204 7.472 1.00 0.00 N ATOM 852 CA ASP A 58 9.683 2.320 6.522 1.00 0.00 C ATOM 853 C ASP A 58 9.418 0.857 6.864 1.00 0.00 C ATOM 854 O ASP A 58 9.382 0.479 8.034 1.00 0.00 O ATOM 855 CB ASP A 58 11.189 2.589 6.511 1.00 0.00 C ATOM 856 CG ASP A 58 11.795 2.546 7.900 1.00 0.00 C ATOM 857 OD1 ASP A 58 11.782 1.462 8.520 1.00 0.00 O ATOM 858 OD2 ASP A 58 12.284 3.596 8.366 1.00 0.00 O ATOM 0 H ASP A 58 9.645 3.653 8.140 1.00 0.00 H new ATOM 0 HA ASP A 58 9.278 2.522 5.530 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.682 1.850 5.879 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.377 3.566 6.066 1.00 0.00 H new ATOM 863 N GLY A 59 9.231 0.038 5.833 1.00 0.00 N ATOM 864 CA GLY A 59 8.971 -1.374 6.045 1.00 0.00 C ATOM 865 C GLY A 59 7.515 -1.734 5.821 1.00 0.00 C ATOM 866 O GLY A 59 7.167 -2.912 5.737 1.00 0.00 O ATOM 0 H GLY A 59 9.255 0.327 4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.595 -1.961 5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.257 -1.645 7.061 1.00 0.00 H new ATOM 870 N ASP A 60 6.664 -0.719 5.724 1.00 0.00 N ATOM 871 CA ASP A 60 5.238 -0.935 5.509 1.00 0.00 C ATOM 872 C ASP A 60 4.981 -1.530 4.127 1.00 0.00 C ATOM 873 O ASP A 60 5.776 -1.348 3.205 1.00 0.00 O ATOM 874 CB ASP A 60 4.473 0.380 5.662 1.00 0.00 C ATOM 875 CG ASP A 60 4.076 0.655 7.099 1.00 0.00 C ATOM 876 OD1 ASP A 60 4.865 0.318 8.006 1.00 0.00 O ATOM 877 OD2 ASP A 60 2.977 1.208 7.316 1.00 0.00 O ATOM 0 H ASP A 60 6.937 0.262 5.791 1.00 0.00 H new ATOM 0 HA ASP A 60 4.885 -1.641 6.260 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.090 1.200 5.295 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.578 0.351 5.040 1.00 0.00 H new ATOM 882 N ARG A 61 3.867 -2.242 3.993 1.00 0.00 N ATOM 883 CA ARG A 61 3.507 -2.866 2.726 1.00 0.00 C ATOM 884 C ARG A 61 2.136 -2.388 2.255 1.00 0.00 C ATOM 885 O ARG A 61 1.165 -2.413 3.011 1.00 0.00 O ATOM 886 CB ARG A 61 3.508 -4.389 2.864 1.00 0.00 C ATOM 887 CG ARG A 61 4.857 -5.026 2.574 1.00 0.00 C ATOM 888 CD ARG A 61 5.738 -5.054 3.814 1.00 0.00 C ATOM 889 NE ARG A 61 6.690 -6.161 3.784 1.00 0.00 N ATOM 890 CZ ARG A 61 6.395 -7.395 4.177 1.00 0.00 C ATOM 891 NH1 ARG A 61 5.180 -7.678 4.626 1.00 0.00 N ATOM 892 NH2 ARG A 61 7.316 -8.349 4.119 1.00 0.00 N ATOM 0 H ARG A 61 3.198 -2.401 4.747 1.00 0.00 H new ATOM 0 HA ARG A 61 4.250 -2.575 1.983 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.201 -4.654 3.876 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.765 -4.807 2.185 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.710 -6.042 2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.360 -4.471 1.782 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.280 -4.112 3.895 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.112 -5.139 4.702 1.00 0.00 H new ATOM 0 HE ARG A 61 7.633 -5.976 3.443 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.470 -6.947 4.670 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.956 -8.626 4.927 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.251 -8.135 3.772 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.089 -9.296 4.421 1.00 0.00 H new ATOM 906 N VAL A 62 2.066 -1.952 1.001 1.00 0.00 N ATOM 907 CA VAL A 62 0.815 -1.469 0.429 1.00 0.00 C ATOM 908 C VAL A 62 0.057 -2.595 -0.265 1.00 0.00 C ATOM 909 O VAL A 62 0.600 -3.284 -1.129 1.00 0.00 O ATOM 910 CB VAL A 62 1.062 -0.333 -0.581 1.00 0.00 C ATOM 911 CG1 VAL A 62 2.277 -0.639 -1.444 1.00 0.00 C ATOM 912 CG2 VAL A 62 -0.172 -0.109 -1.443 1.00 0.00 C ATOM 0 H VAL A 62 2.861 -1.923 0.362 1.00 0.00 H new ATOM 0 HA VAL A 62 0.216 -1.087 1.255 1.00 0.00 H new ATOM 0 HB VAL A 62 1.262 0.584 -0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.435 0.175 -2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.157 -0.744 -0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.111 -1.567 -1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.020 0.697 -2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.405 -1.023 -1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.016 0.160 -0.808 1.00 0.00 H new ATOM 922 N LEU A 63 -1.202 -2.777 0.119 1.00 0.00 N ATOM 923 CA LEU A 63 -2.037 -3.820 -0.467 1.00 0.00 C ATOM 924 C LEU A 63 -2.797 -3.293 -1.679 1.00 0.00 C ATOM 925 O LEU A 63 -2.800 -3.915 -2.741 1.00 0.00 O ATOM 926 CB LEU A 63 -3.022 -4.356 0.574 1.00 0.00 C ATOM 927 CG LEU A 63 -2.404 -4.971 1.830 1.00 0.00 C ATOM 928 CD1 LEU A 63 -3.336 -4.804 3.020 1.00 0.00 C ATOM 929 CD2 LEU A 63 -2.084 -6.441 1.602 1.00 0.00 C ATOM 0 H LEU A 63 -1.667 -2.216 0.833 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.386 -4.631 -0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.677 -3.540 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.650 -5.108 0.097 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.473 -4.447 2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.879 -5.248 3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.514 -3.743 3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.284 -5.301 2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.645 -6.862 2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.000 -6.979 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.377 -6.536 0.777 1.00 0.00 H new ATOM 941 N ARG A 64 -3.439 -2.141 -1.514 1.00 0.00 N ATOM 942 CA ARG A 64 -4.202 -1.529 -2.595 1.00 0.00 C ATOM 943 C ARG A 64 -3.872 -0.044 -2.720 1.00 0.00 C ATOM 944 O ARG A 64 -3.708 0.652 -1.718 1.00 0.00 O ATOM 945 CB ARG A 64 -5.702 -1.710 -2.356 1.00 0.00 C ATOM 946 CG ARG A 64 -6.119 -3.161 -2.177 1.00 0.00 C ATOM 947 CD ARG A 64 -7.571 -3.376 -2.574 1.00 0.00 C ATOM 948 NE ARG A 64 -7.875 -4.788 -2.793 1.00 0.00 N ATOM 949 CZ ARG A 64 -8.910 -5.214 -3.509 1.00 0.00 C ATOM 950 NH1 ARG A 64 -9.735 -4.342 -4.071 1.00 0.00 N ATOM 951 NH2 ARG A 64 -9.120 -6.515 -3.663 1.00 0.00 N ATOM 0 H ARG A 64 -3.446 -1.613 -0.642 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.927 -2.025 -3.526 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.991 -1.146 -1.469 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.249 -1.284 -3.197 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.477 -3.802 -2.781 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.977 -3.456 -1.137 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.222 -2.982 -1.794 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.785 -2.814 -3.483 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.259 -5.485 -2.373 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.576 -3.341 -3.954 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.529 -4.672 -4.620 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.487 -7.188 -3.232 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.915 -6.842 -4.213 1.00 0.00 H new ATOM 965 N ILE A 65 -3.776 0.433 -3.957 1.00 0.00 N ATOM 966 CA ILE A 65 -3.466 1.834 -4.213 1.00 0.00 C ATOM 967 C ILE A 65 -4.685 2.577 -4.751 1.00 0.00 C ATOM 968 O ILE A 65 -5.252 2.199 -5.775 1.00 0.00 O ATOM 969 CB ILE A 65 -2.306 1.980 -5.215 1.00 0.00 C ATOM 970 CG1 ILE A 65 -1.564 3.297 -4.980 1.00 0.00 C ATOM 971 CG2 ILE A 65 -2.826 1.906 -6.643 1.00 0.00 C ATOM 972 CD1 ILE A 65 -2.477 4.452 -4.634 1.00 0.00 C ATOM 0 H ILE A 65 -3.908 -0.130 -4.797 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.168 2.271 -3.260 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.607 1.158 -5.061 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.844 3.160 -4.174 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.996 3.549 -5.875 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.994 2.011 -7.339 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.314 0.945 -6.803 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.543 2.709 -6.811 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.882 5.353 -4.481 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.181 4.616 -5.450 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.026 4.221 -3.721 1.00 0.00 H new ATOM 984 N ASN A 66 -5.080 3.636 -4.053 1.00 0.00 N ATOM 985 CA ASN A 66 -6.231 4.434 -4.462 1.00 0.00 C ATOM 986 C ASN A 66 -7.423 3.540 -4.791 1.00 0.00 C ATOM 987 O ASN A 66 -8.270 3.894 -5.610 1.00 0.00 O ATOM 988 CB ASN A 66 -5.876 5.296 -5.675 1.00 0.00 C ATOM 989 CG ASN A 66 -6.825 6.466 -5.851 1.00 0.00 C ATOM 990 OD1 ASN A 66 -7.788 6.389 -6.614 1.00 0.00 O ATOM 991 ND2 ASN A 66 -6.556 7.557 -5.143 1.00 0.00 N ATOM 0 H ASN A 66 -4.621 3.962 -3.202 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.505 5.084 -3.631 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.858 5.671 -5.566 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.894 4.679 -6.573 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.159 8.376 -5.219 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.746 7.576 -4.523 1.00 0.00 H new ATOM 998 N GLY A 67 -7.482 2.380 -4.144 1.00 0.00 N ATOM 999 CA GLY A 67 -8.574 1.453 -4.381 1.00 0.00 C ATOM 1000 C GLY A 67 -8.299 0.517 -5.541 1.00 0.00 C ATOM 1001 O GLY A 67 -9.187 0.239 -6.347 1.00 0.00 O ATOM 0 H GLY A 67 -6.794 2.066 -3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.751 0.867 -3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.487 2.015 -4.580 1.00 0.00 H new ATOM 1005 N VAL A 68 -7.065 0.031 -5.627 1.00 0.00 N ATOM 1006 CA VAL A 68 -6.675 -0.879 -6.698 1.00 0.00 C ATOM 1007 C VAL A 68 -5.662 -1.906 -6.204 1.00 0.00 C ATOM 1008 O VAL A 68 -4.640 -1.553 -5.616 1.00 0.00 O ATOM 1009 CB VAL A 68 -6.075 -0.115 -7.893 1.00 0.00 C ATOM 1010 CG1 VAL A 68 -5.542 -1.087 -8.935 1.00 0.00 C ATOM 1011 CG2 VAL A 68 -7.110 0.819 -8.502 1.00 0.00 C ATOM 0 H VAL A 68 -6.318 0.252 -4.968 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.580 -1.393 -7.023 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.241 0.489 -7.535 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.122 -0.529 -9.772 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.767 -1.710 -8.489 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.355 -1.719 -9.292 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.669 1.351 -9.345 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.966 0.239 -8.847 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.438 1.538 -7.751 1.00 0.00 H new ATOM 1021 N PHE A 69 -5.953 -3.180 -6.448 1.00 0.00 N ATOM 1022 CA PHE A 69 -5.068 -4.260 -6.028 1.00 0.00 C ATOM 1023 C PHE A 69 -3.735 -4.190 -6.768 1.00 0.00 C ATOM 1024 O PHE A 69 -3.674 -4.392 -7.981 1.00 0.00 O ATOM 1025 CB PHE A 69 -5.730 -5.616 -6.275 1.00 0.00 C ATOM 1026 CG PHE A 69 -5.160 -6.724 -5.436 1.00 0.00 C ATOM 1027 CD1 PHE A 69 -5.128 -6.619 -4.055 1.00 0.00 C ATOM 1028 CD2 PHE A 69 -4.656 -7.870 -6.029 1.00 0.00 C ATOM 1029 CE1 PHE A 69 -4.602 -7.636 -3.281 1.00 0.00 C ATOM 1030 CE2 PHE A 69 -4.129 -8.891 -5.260 1.00 0.00 C ATOM 1031 CZ PHE A 69 -4.104 -8.775 -3.884 1.00 0.00 C ATOM 0 H PHE A 69 -6.795 -3.489 -6.934 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.878 -4.145 -4.961 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.798 -5.532 -6.074 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.623 -5.877 -7.328 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.519 -5.732 -3.578 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.675 -7.967 -7.104 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.580 -7.540 -2.205 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.737 -9.778 -5.735 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.696 -9.573 -3.281 1.00 0.00 H new ATOM 1041 N VAL A 70 -2.669 -3.901 -6.029 1.00 0.00 N ATOM 1042 CA VAL A 70 -1.337 -3.804 -6.614 1.00 0.00 C ATOM 1043 C VAL A 70 -0.353 -4.722 -5.896 1.00 0.00 C ATOM 1044 O VAL A 70 0.758 -4.315 -5.558 1.00 0.00 O ATOM 1045 CB VAL A 70 -0.805 -2.359 -6.562 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -1.680 -1.438 -7.398 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -0.725 -1.872 -5.123 1.00 0.00 C ATOM 0 H VAL A 70 -2.702 -3.730 -5.024 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.425 -4.114 -7.655 1.00 0.00 H new ATOM 0 HB VAL A 70 0.201 -2.345 -6.982 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.289 -0.422 -7.349 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.680 -1.778 -8.434 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.699 -1.454 -7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.347 -0.850 -5.105 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.718 -1.900 -4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.053 -2.517 -4.557 1.00 0.00 H new ATOM 1057 N ASP A 71 -0.770 -5.962 -5.667 1.00 0.00 N ATOM 1058 CA ASP A 71 0.074 -6.940 -4.990 1.00 0.00 C ATOM 1059 C ASP A 71 1.001 -7.636 -5.982 1.00 0.00 C ATOM 1060 O ASP A 71 2.155 -7.928 -5.670 1.00 0.00 O ATOM 1061 CB ASP A 71 -0.787 -7.974 -4.264 1.00 0.00 C ATOM 1062 CG ASP A 71 -0.006 -8.748 -3.221 1.00 0.00 C ATOM 1063 OD1 ASP A 71 0.778 -8.120 -2.479 1.00 0.00 O ATOM 1064 OD2 ASP A 71 -0.180 -9.982 -3.145 1.00 0.00 O ATOM 0 H ASP A 71 -1.687 -6.314 -5.940 1.00 0.00 H new ATOM 0 HA ASP A 71 0.685 -6.412 -4.258 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.627 -7.471 -3.785 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.205 -8.670 -4.992 1.00 0.00 H new ATOM 1069 N LYS A 72 0.486 -7.902 -7.178 1.00 0.00 N ATOM 1070 CA LYS A 72 1.266 -8.564 -8.217 1.00 0.00 C ATOM 1071 C LYS A 72 1.701 -7.569 -9.288 1.00 0.00 C ATOM 1072 O LYS A 72 2.686 -7.792 -9.991 1.00 0.00 O ATOM 1073 CB LYS A 72 0.452 -9.692 -8.853 1.00 0.00 C ATOM 1074 CG LYS A 72 1.155 -10.369 -10.017 1.00 0.00 C ATOM 1075 CD LYS A 72 2.280 -11.271 -9.540 1.00 0.00 C ATOM 1076 CE LYS A 72 3.619 -10.549 -9.554 1.00 0.00 C ATOM 1077 NZ LYS A 72 4.679 -11.333 -8.862 1.00 0.00 N ATOM 0 H LYS A 72 -0.469 -7.669 -7.452 1.00 0.00 H new ATOM 0 HA LYS A 72 2.159 -8.985 -7.754 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.226 -10.439 -8.092 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.501 -9.291 -9.199 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.434 -10.955 -10.587 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.555 -9.612 -10.691 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.064 -11.620 -8.530 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.335 -12.154 -10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.920 -10.362 -10.585 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.513 -9.577 -9.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.576 -10.807 -8.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.404 -11.490 -7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.799 -12.250 -9.337 1.00 0.00 H new ATOM 1091 N GLU A 73 0.961 -6.471 -9.406 1.00 0.00 N ATOM 1092 CA GLU A 73 1.272 -5.443 -10.391 1.00 0.00 C ATOM 1093 C GLU A 73 2.722 -4.987 -10.263 1.00 0.00 C ATOM 1094 O GLU A 73 3.376 -5.242 -9.252 1.00 0.00 O ATOM 1095 CB GLU A 73 0.333 -4.246 -10.227 1.00 0.00 C ATOM 1096 CG GLU A 73 -1.092 -4.524 -10.678 1.00 0.00 C ATOM 1097 CD GLU A 73 -1.168 -4.977 -12.123 1.00 0.00 C ATOM 1098 OE1 GLU A 73 -1.292 -4.108 -13.011 1.00 0.00 O ATOM 1099 OE2 GLU A 73 -1.103 -6.200 -12.366 1.00 0.00 O ATOM 0 H GLU A 73 0.142 -6.271 -8.832 1.00 0.00 H new ATOM 0 HA GLU A 73 1.131 -5.873 -11.383 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.321 -3.945 -9.180 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.728 -3.404 -10.796 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.529 -5.290 -10.037 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.692 -3.623 -10.552 1.00 0.00 H new ATOM 1106 N GLU A 74 3.218 -4.311 -11.295 1.00 0.00 N ATOM 1107 CA GLU A 74 4.591 -3.821 -11.297 1.00 0.00 C ATOM 1108 C GLU A 74 4.655 -2.380 -10.798 1.00 0.00 C ATOM 1109 O GLU A 74 3.662 -1.654 -10.835 1.00 0.00 O ATOM 1110 CB GLU A 74 5.186 -3.911 -12.704 1.00 0.00 C ATOM 1111 CG GLU A 74 5.831 -5.253 -13.007 1.00 0.00 C ATOM 1112 CD GLU A 74 4.816 -6.370 -13.148 1.00 0.00 C ATOM 1113 OE1 GLU A 74 4.276 -6.544 -14.261 1.00 0.00 O ATOM 1114 OE2 GLU A 74 4.561 -7.071 -12.146 1.00 0.00 O ATOM 0 H GLU A 74 2.690 -4.091 -12.139 1.00 0.00 H new ATOM 0 HA GLU A 74 5.174 -4.448 -10.622 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.400 -3.722 -13.435 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.930 -3.124 -12.826 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.409 -5.174 -13.928 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.532 -5.503 -12.211 1.00 0.00 H new ATOM 1121 N HIS A 75 5.832 -1.974 -10.330 1.00 0.00 N ATOM 1122 CA HIS A 75 6.027 -0.621 -9.823 1.00 0.00 C ATOM 1123 C HIS A 75 5.492 0.412 -10.811 1.00 0.00 C ATOM 1124 O HIS A 75 4.695 1.277 -10.449 1.00 0.00 O ATOM 1125 CB HIS A 75 7.509 -0.364 -9.551 1.00 0.00 C ATOM 1126 CG HIS A 75 7.799 1.028 -9.080 1.00 0.00 C ATOM 1127 ND1 HIS A 75 8.753 1.910 -9.459 1.00 0.00 N flip ATOM 1128 CD2 HIS A 75 7.063 1.660 -8.100 1.00 0.00 C flip ATOM 1129 CE1 HIS A 75 8.578 3.047 -8.710 1.00 0.00 C flip ATOM 1130 NE2 HIS A 75 7.551 2.871 -7.898 1.00 0.00 N flip ATOM 0 H HIS A 75 6.664 -2.563 -10.292 1.00 0.00 H new ATOM 0 HA HIS A 75 5.473 -0.526 -8.889 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.861 -1.073 -8.801 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.076 -0.556 -10.462 1.00 0.00 H new ATOM 0 HD1 HIS A 75 9.469 1.758 -10.169 1.00 0.00 H new ATOM 0 HD2 HIS A 75 6.219 1.232 -7.579 1.00 0.00 H new ATOM 0 HE1 HIS A 75 9.182 3.940 -8.774 1.00 0.00 H new ATOM 1139 N ALA A 76 5.937 0.315 -12.059 1.00 0.00 N ATOM 1140 CA ALA A 76 5.503 1.240 -13.099 1.00 0.00 C ATOM 1141 C ALA A 76 3.982 1.317 -13.164 1.00 0.00 C ATOM 1142 O ALA A 76 3.417 2.374 -13.445 1.00 0.00 O ATOM 1143 CB ALA A 76 6.070 0.822 -14.448 1.00 0.00 C ATOM 0 H ALA A 76 6.598 -0.395 -12.375 1.00 0.00 H new ATOM 0 HA ALA A 76 5.881 2.231 -12.850 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.738 1.522 -15.215 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.159 0.825 -14.402 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.720 -0.180 -14.695 1.00 0.00 H new ATOM 1149 N GLN A 77 3.325 0.192 -12.904 1.00 0.00 N ATOM 1150 CA GLN A 77 1.868 0.134 -12.934 1.00 0.00 C ATOM 1151 C GLN A 77 1.269 0.837 -11.721 1.00 0.00 C ATOM 1152 O GLN A 77 0.221 1.476 -11.815 1.00 0.00 O ATOM 1153 CB GLN A 77 1.395 -1.320 -12.980 1.00 0.00 C ATOM 1154 CG GLN A 77 1.535 -1.962 -14.351 1.00 0.00 C ATOM 1155 CD GLN A 77 0.304 -1.768 -15.214 1.00 0.00 C ATOM 1156 OE1 GLN A 77 0.338 -0.758 -16.075 1.00 0.00 O flip ATOM 1157 NE2 GLN A 77 -0.668 -2.517 -15.108 1.00 0.00 N flip ATOM 0 H GLN A 77 3.778 -0.692 -12.670 1.00 0.00 H new ATOM 0 HA GLN A 77 1.528 0.648 -13.833 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.965 -1.902 -12.256 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.350 -1.363 -12.673 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.401 -1.539 -14.860 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.726 -3.028 -14.231 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.652 -3.281 -14.433 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.489 -2.373 -15.695 1.00 0.00 H new ATOM 1166 N VAL A 78 1.942 0.716 -10.581 1.00 0.00 N ATOM 1167 CA VAL A 78 1.477 1.341 -9.349 1.00 0.00 C ATOM 1168 C VAL A 78 1.664 2.853 -9.395 1.00 0.00 C ATOM 1169 O VAL A 78 0.704 3.613 -9.266 1.00 0.00 O ATOM 1170 CB VAL A 78 2.219 0.780 -8.120 1.00 0.00 C ATOM 1171 CG1 VAL A 78 1.806 1.527 -6.861 1.00 0.00 C ATOM 1172 CG2 VAL A 78 1.957 -0.711 -7.976 1.00 0.00 C ATOM 0 H VAL A 78 2.811 0.191 -10.485 1.00 0.00 H new ATOM 0 HA VAL A 78 0.415 1.112 -9.259 1.00 0.00 H new ATOM 0 HB VAL A 78 3.290 0.925 -8.265 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.340 1.118 -6.003 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.049 2.584 -6.969 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.733 1.415 -6.707 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.488 -1.091 -7.103 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.888 -0.882 -7.853 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.307 -1.230 -8.868 1.00 0.00 H new ATOM 1182 N VAL A 79 2.908 3.285 -9.579 1.00 0.00 N ATOM 1183 CA VAL A 79 3.222 4.707 -9.644 1.00 0.00 C ATOM 1184 C VAL A 79 2.198 5.458 -10.487 1.00 0.00 C ATOM 1185 O VAL A 79 1.827 6.588 -10.169 1.00 0.00 O ATOM 1186 CB VAL A 79 4.627 4.946 -10.230 1.00 0.00 C ATOM 1187 CG1 VAL A 79 4.689 4.477 -11.676 1.00 0.00 C ATOM 1188 CG2 VAL A 79 5.007 6.415 -10.120 1.00 0.00 C ATOM 0 H VAL A 79 3.715 2.670 -9.686 1.00 0.00 H new ATOM 0 HA VAL A 79 3.194 5.084 -8.622 1.00 0.00 H new ATOM 0 HB VAL A 79 5.346 4.364 -9.654 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.689 4.654 -12.073 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.463 3.412 -11.723 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.960 5.029 -12.269 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.002 6.566 -10.539 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.286 7.019 -10.671 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.005 6.714 -9.072 1.00 0.00 H new ATOM 1198 N GLU A 80 1.744 4.823 -11.563 1.00 0.00 N ATOM 1199 CA GLU A 80 0.762 5.432 -12.452 1.00 0.00 C ATOM 1200 C GLU A 80 -0.510 5.795 -11.691 1.00 0.00 C ATOM 1201 O GLU A 80 -1.098 6.854 -11.911 1.00 0.00 O ATOM 1202 CB GLU A 80 0.427 4.483 -13.604 1.00 0.00 C ATOM 1203 CG GLU A 80 -0.568 5.060 -14.598 1.00 0.00 C ATOM 1204 CD GLU A 80 0.036 6.149 -15.463 1.00 0.00 C ATOM 1205 OE1 GLU A 80 0.248 7.266 -14.947 1.00 0.00 O ATOM 1206 OE2 GLU A 80 0.297 5.884 -16.655 1.00 0.00 O ATOM 0 H GLU A 80 2.041 3.887 -11.840 1.00 0.00 H new ATOM 0 HA GLU A 80 1.195 6.346 -12.858 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.346 4.225 -14.130 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.024 3.557 -13.195 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.943 4.260 -15.237 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.424 5.464 -14.057 1.00 0.00 H new ATOM 1213 N LEU A 81 -0.929 4.908 -10.794 1.00 0.00 N ATOM 1214 CA LEU A 81 -2.131 5.133 -10.000 1.00 0.00 C ATOM 1215 C LEU A 81 -1.984 6.377 -9.129 1.00 0.00 C ATOM 1216 O LEU A 81 -2.901 7.192 -9.032 1.00 0.00 O ATOM 1217 CB LEU A 81 -2.422 3.914 -9.123 1.00 0.00 C ATOM 1218 CG LEU A 81 -3.315 2.839 -9.743 1.00 0.00 C ATOM 1219 CD1 LEU A 81 -4.719 3.378 -9.972 1.00 0.00 C ATOM 1220 CD2 LEU A 81 -2.716 2.335 -11.047 1.00 0.00 C ATOM 0 H LEU A 81 -0.454 4.027 -10.599 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.965 5.288 -10.685 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.473 3.455 -8.847 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.889 4.258 -8.200 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.378 2.002 -9.048 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.340 2.599 -10.414 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.149 3.689 -9.020 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.675 4.233 -10.647 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.365 1.570 -11.474 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.622 3.164 -11.748 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.731 1.909 -10.854 1.00 0.00 H new ATOM 1232 N VAL A 82 -0.822 6.517 -8.499 1.00 0.00 N ATOM 1233 CA VAL A 82 -0.552 7.663 -7.639 1.00 0.00 C ATOM 1234 C VAL A 82 -0.507 8.957 -8.445 1.00 0.00 C ATOM 1235 O VAL A 82 -0.893 10.019 -7.955 1.00 0.00 O ATOM 1236 CB VAL A 82 0.780 7.497 -6.883 1.00 0.00 C ATOM 1237 CG1 VAL A 82 1.142 8.779 -6.149 1.00 0.00 C ATOM 1238 CG2 VAL A 82 0.700 6.324 -5.916 1.00 0.00 C ATOM 0 H VAL A 82 -0.053 5.851 -8.568 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.367 7.715 -6.917 1.00 0.00 H new ATOM 0 HB VAL A 82 1.566 7.289 -7.609 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.086 8.642 -5.621 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.243 9.593 -6.867 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.357 9.022 -5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.649 6.221 -5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.097 6.501 -5.194 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.491 5.409 -6.470 1.00 0.00 H new ATOM 1248 N ARG A 83 -0.035 8.860 -9.683 1.00 0.00 N ATOM 1249 CA ARG A 83 0.061 10.023 -10.557 1.00 0.00 C ATOM 1250 C ARG A 83 -1.325 10.553 -10.910 1.00 0.00 C ATOM 1251 O ARG A 83 -1.667 11.692 -10.590 1.00 0.00 O ATOM 1252 CB ARG A 83 0.823 9.666 -11.835 1.00 0.00 C ATOM 1253 CG ARG A 83 2.330 9.606 -11.649 1.00 0.00 C ATOM 1254 CD ARG A 83 3.060 9.727 -12.977 1.00 0.00 C ATOM 1255 NE ARG A 83 3.205 11.118 -13.398 1.00 0.00 N ATOM 1256 CZ ARG A 83 4.126 11.941 -12.910 1.00 0.00 C ATOM 1257 NH1 ARG A 83 4.980 11.515 -11.989 1.00 0.00 N ATOM 1258 NH2 ARG A 83 4.195 13.193 -13.343 1.00 0.00 N ATOM 0 H ARG A 83 0.287 7.988 -10.104 1.00 0.00 H new ATOM 0 HA ARG A 83 0.605 10.803 -10.024 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.472 8.701 -12.200 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.589 10.402 -12.605 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.648 10.409 -10.983 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.601 8.666 -11.168 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.046 9.270 -12.892 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.516 9.172 -13.741 1.00 0.00 H new ATOM 0 HE ARG A 83 2.564 11.477 -14.105 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.930 10.553 -11.654 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.686 12.149 -11.616 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.540 13.524 -14.051 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.903 13.824 -12.967 1.00 0.00 H new ATOM 1272 N LYS A 84 -2.121 9.720 -11.572 1.00 0.00 N ATOM 1273 CA LYS A 84 -3.471 10.103 -11.969 1.00 0.00 C ATOM 1274 C LYS A 84 -4.316 10.457 -10.750 1.00 0.00 C ATOM 1275 O LYS A 84 -5.113 11.395 -10.786 1.00 0.00 O ATOM 1276 CB LYS A 84 -4.136 8.969 -12.752 1.00 0.00 C ATOM 1277 CG LYS A 84 -4.108 7.633 -12.029 1.00 0.00 C ATOM 1278 CD LYS A 84 -4.275 6.473 -12.995 1.00 0.00 C ATOM 1279 CE LYS A 84 -5.741 6.213 -13.307 1.00 0.00 C ATOM 1280 NZ LYS A 84 -5.956 4.850 -13.867 1.00 0.00 N ATOM 0 H LYS A 84 -1.854 8.774 -11.845 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.399 10.983 -12.608 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.172 9.240 -12.958 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.637 8.862 -13.715 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.165 7.528 -11.493 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.903 7.605 -11.284 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.738 6.688 -13.919 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.828 5.575 -12.568 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.332 6.330 -12.398 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.099 6.958 -14.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.967 4.712 -14.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.412 4.747 -14.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -5.638 4.138 -13.179 1.00 0.00 H new ATOM 1294 N SER A 85 -4.136 9.703 -9.670 1.00 0.00 N ATOM 1295 CA SER A 85 -4.884 9.936 -8.441 1.00 0.00 C ATOM 1296 C SER A 85 -4.970 11.428 -8.132 1.00 0.00 C ATOM 1297 O SER A 85 -6.041 11.949 -7.827 1.00 0.00 O ATOM 1298 CB SER A 85 -4.228 9.199 -7.272 1.00 0.00 C ATOM 1299 OG SER A 85 -4.581 7.826 -7.272 1.00 0.00 O ATOM 0 H SER A 85 -3.478 8.925 -9.622 1.00 0.00 H new ATOM 0 HA SER A 85 -5.895 9.553 -8.582 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.145 9.299 -7.337 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.535 9.657 -6.331 1.00 0.00 H new ATOM 0 HG SER A 85 -3.878 7.307 -7.716 1.00 0.00 H new ATOM 1305 N GLY A 86 -3.831 12.109 -8.213 1.00 0.00 N ATOM 1306 CA GLY A 86 -3.798 13.534 -7.939 1.00 0.00 C ATOM 1307 C GLY A 86 -3.032 13.864 -6.674 1.00 0.00 C ATOM 1308 O GLY A 86 -2.240 13.055 -6.191 1.00 0.00 O ATOM 0 H GLY A 86 -2.931 11.700 -8.463 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.341 14.052 -8.782 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.818 13.907 -7.850 1.00 0.00 H new ATOM 1312 N ASN A 87 -3.267 15.056 -6.135 1.00 0.00 N ATOM 1313 CA ASN A 87 -2.591 15.492 -4.919 1.00 0.00 C ATOM 1314 C ASN A 87 -2.852 14.519 -3.773 1.00 0.00 C ATOM 1315 O ASN A 87 -1.921 14.041 -3.126 1.00 0.00 O ATOM 1316 CB ASN A 87 -3.056 16.896 -4.527 1.00 0.00 C ATOM 1317 CG ASN A 87 -2.923 17.888 -5.666 1.00 0.00 C ATOM 1318 OD1 ASN A 87 -3.684 17.846 -6.633 1.00 0.00 O ATOM 1319 ND2 ASN A 87 -1.951 18.787 -5.557 1.00 0.00 N ATOM 0 H ASN A 87 -3.921 15.737 -6.521 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.519 15.514 -5.117 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.096 16.854 -4.205 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.472 17.245 -3.675 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.812 19.480 -6.293 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.344 18.785 -4.737 1.00 0.00 H new ATOM 1326 N SER A 88 -4.127 14.231 -3.528 1.00 0.00 N ATOM 1327 CA SER A 88 -4.512 13.318 -2.458 1.00 0.00 C ATOM 1328 C SER A 88 -4.630 11.889 -2.980 1.00 0.00 C ATOM 1329 O SER A 88 -5.262 11.641 -4.007 1.00 0.00 O ATOM 1330 CB SER A 88 -5.839 13.757 -1.837 1.00 0.00 C ATOM 1331 OG SER A 88 -6.895 13.675 -2.778 1.00 0.00 O ATOM 0 H SER A 88 -4.910 14.617 -4.056 1.00 0.00 H new ATOM 0 HA SER A 88 -3.735 13.345 -1.694 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.066 13.129 -0.975 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.752 14.780 -1.472 1.00 0.00 H new ATOM 0 HG SER A 88 -7.732 13.959 -2.356 1.00 0.00 H new ATOM 1337 N VAL A 89 -4.017 10.951 -2.264 1.00 0.00 N ATOM 1338 CA VAL A 89 -4.054 9.547 -2.652 1.00 0.00 C ATOM 1339 C VAL A 89 -4.272 8.647 -1.441 1.00 0.00 C ATOM 1340 O VAL A 89 -3.704 8.876 -0.372 1.00 0.00 O ATOM 1341 CB VAL A 89 -2.753 9.127 -3.363 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -2.918 7.763 -4.016 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -2.346 10.173 -4.389 1.00 0.00 C ATOM 0 H VAL A 89 -3.489 11.139 -1.412 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.890 9.431 -3.342 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.960 9.053 -2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.989 7.483 -4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.160 7.022 -3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.723 7.806 -4.749 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.425 9.860 -4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.136 10.281 -5.132 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.184 11.128 -3.890 1.00 0.00 H new ATOM 1353 N THR A 90 -5.098 7.620 -1.615 1.00 0.00 N ATOM 1354 CA THR A 90 -5.392 6.685 -0.536 1.00 0.00 C ATOM 1355 C THR A 90 -4.528 5.433 -0.642 1.00 0.00 C ATOM 1356 O THR A 90 -4.386 4.854 -1.720 1.00 0.00 O ATOM 1357 CB THR A 90 -6.876 6.272 -0.539 1.00 0.00 C ATOM 1358 OG1 THR A 90 -7.706 7.427 -0.377 1.00 0.00 O ATOM 1359 CG2 THR A 90 -7.162 5.275 0.574 1.00 0.00 C ATOM 0 H THR A 90 -5.575 7.415 -2.493 1.00 0.00 H new ATOM 0 HA THR A 90 -5.168 7.200 0.398 1.00 0.00 H new ATOM 0 HB THR A 90 -7.097 5.798 -1.495 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.648 7.156 -0.382 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.216 4.998 0.552 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.550 4.385 0.431 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.926 5.727 1.537 1.00 0.00 H new ATOM 1367 N LEU A 91 -3.952 5.020 0.481 1.00 0.00 N ATOM 1368 CA LEU A 91 -3.102 3.835 0.515 1.00 0.00 C ATOM 1369 C LEU A 91 -3.475 2.930 1.683 1.00 0.00 C ATOM 1370 O LEU A 91 -3.954 3.398 2.717 1.00 0.00 O ATOM 1371 CB LEU A 91 -1.631 4.242 0.620 1.00 0.00 C ATOM 1372 CG LEU A 91 -1.123 5.207 -0.452 1.00 0.00 C ATOM 1373 CD1 LEU A 91 0.042 6.028 0.078 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -0.714 4.445 -1.705 1.00 0.00 C ATOM 0 H LEU A 91 -4.058 5.488 1.381 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.255 3.282 -0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.470 4.698 1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.022 3.339 0.586 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.933 5.889 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.390 6.709 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.283 6.603 0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.855 5.362 0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.355 5.148 -2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.080 3.740 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.574 3.901 -2.097 1.00 0.00 H new ATOM 1386 N LEU A 92 -3.252 1.631 1.513 1.00 0.00 N ATOM 1387 CA LEU A 92 -3.563 0.658 2.555 1.00 0.00 C ATOM 1388 C LEU A 92 -2.305 -0.075 3.009 1.00 0.00 C ATOM 1389 O LEU A 92 -1.749 -0.890 2.272 1.00 0.00 O ATOM 1390 CB LEU A 92 -4.599 -0.347 2.049 1.00 0.00 C ATOM 1391 CG LEU A 92 -6.051 0.134 2.036 1.00 0.00 C ATOM 1392 CD1 LEU A 92 -6.957 -0.921 1.420 1.00 0.00 C ATOM 1393 CD2 LEU A 92 -6.511 0.478 3.445 1.00 0.00 C ATOM 0 H LEU A 92 -2.857 1.227 0.664 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.975 1.196 3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.326 -0.641 1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.539 -1.242 2.668 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.110 1.035 1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -7.986 -0.561 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.641 -1.119 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -6.894 -1.840 2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.546 0.818 3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.437 -0.406 4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -5.880 1.269 3.851 1.00 0.00 H new ATOM 1405 N VAL A 93 -1.862 0.218 4.227 1.00 0.00 N ATOM 1406 CA VAL A 93 -0.671 -0.415 4.781 1.00 0.00 C ATOM 1407 C VAL A 93 -1.041 -1.443 5.845 1.00 0.00 C ATOM 1408 O VAL A 93 -1.800 -1.151 6.769 1.00 0.00 O ATOM 1409 CB VAL A 93 0.283 0.625 5.397 1.00 0.00 C ATOM 1410 CG1 VAL A 93 0.696 1.654 4.355 1.00 0.00 C ATOM 1411 CG2 VAL A 93 -0.365 1.299 6.596 1.00 0.00 C ATOM 0 H VAL A 93 -2.310 0.890 4.850 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.165 -0.916 3.956 1.00 0.00 H new ATOM 0 HB VAL A 93 1.180 0.110 5.740 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.370 2.381 4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.204 1.153 3.531 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.189 2.166 3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.324 2.031 7.018 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.280 1.801 6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.604 0.549 7.350 1.00 0.00 H new ATOM 1421 N LEU A 94 -0.497 -2.648 5.710 1.00 0.00 N ATOM 1422 CA LEU A 94 -0.769 -3.721 6.660 1.00 0.00 C ATOM 1423 C LEU A 94 0.439 -3.972 7.557 1.00 0.00 C ATOM 1424 O LEU A 94 1.580 -3.738 7.158 1.00 0.00 O ATOM 1425 CB LEU A 94 -1.142 -5.005 5.917 1.00 0.00 C ATOM 1426 CG LEU A 94 -1.804 -6.097 6.757 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -3.206 -5.677 7.171 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -1.844 -7.410 5.989 1.00 0.00 C ATOM 0 H LEU A 94 0.135 -2.906 4.952 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.607 -3.415 7.286 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.814 -4.746 5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.238 -5.417 5.468 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.210 -6.244 7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.661 -6.467 7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.152 -4.762 7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.811 -5.501 6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.319 -8.176 6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.414 -7.277 5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.828 -7.719 5.744 1.00 0.00 H new ATOM 1440 N ASP A 95 0.180 -4.451 8.769 1.00 0.00 N ATOM 1441 CA ASP A 95 1.247 -4.737 9.722 1.00 0.00 C ATOM 1442 C ASP A 95 2.076 -5.933 9.265 1.00 0.00 C ATOM 1443 O ASP A 95 1.547 -6.890 8.702 1.00 0.00 O ATOM 1444 CB ASP A 95 0.661 -5.006 11.109 1.00 0.00 C ATOM 1445 CG ASP A 95 -0.307 -3.925 11.548 1.00 0.00 C ATOM 1446 OD1 ASP A 95 -1.301 -3.692 10.830 1.00 0.00 O ATOM 1447 OD2 ASP A 95 -0.069 -3.310 12.609 1.00 0.00 O ATOM 0 H ASP A 95 -0.759 -4.649 9.115 1.00 0.00 H new ATOM 0 HA ASP A 95 1.899 -3.865 9.775 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.149 -5.968 11.103 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.471 -5.081 11.834 1.00 0.00 H new ATOM 1452 N GLY A 96 3.381 -5.871 9.513 1.00 0.00 N ATOM 1453 CA GLY A 96 4.263 -6.955 9.120 1.00 0.00 C ATOM 1454 C GLY A 96 3.735 -8.313 9.539 1.00 0.00 C ATOM 1455 O GLY A 96 3.391 -9.140 8.695 1.00 0.00 O ATOM 0 H GLY A 96 3.843 -5.090 9.979 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.395 -6.938 8.038 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.246 -6.798 9.564 1.00 0.00 H new ATOM 1459 N ASP A 97 3.674 -8.544 10.846 1.00 0.00 N ATOM 1460 CA ASP A 97 3.185 -9.812 11.375 1.00 0.00 C ATOM 1461 C ASP A 97 1.934 -10.266 10.630 1.00 0.00 C ATOM 1462 O ASP A 97 1.890 -11.369 10.085 1.00 0.00 O ATOM 1463 CB ASP A 97 2.884 -9.682 12.870 1.00 0.00 C ATOM 1464 CG ASP A 97 4.061 -9.132 13.651 1.00 0.00 C ATOM 1465 OD1 ASP A 97 4.252 -7.897 13.647 1.00 0.00 O ATOM 1466 OD2 ASP A 97 4.791 -9.935 14.268 1.00 0.00 O ATOM 0 H ASP A 97 3.957 -7.870 11.558 1.00 0.00 H new ATOM 0 HA ASP A 97 3.963 -10.562 11.232 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.022 -9.029 13.009 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.611 -10.659 13.269 1.00 0.00 H new ATOM 1471 N SER A 98 0.918 -9.409 10.611 1.00 0.00 N ATOM 1472 CA SER A 98 -0.335 -9.724 9.936 1.00 0.00 C ATOM 1473 C SER A 98 -0.078 -10.239 8.523 1.00 0.00 C ATOM 1474 O SER A 98 -0.444 -11.365 8.184 1.00 0.00 O ATOM 1475 CB SER A 98 -1.236 -8.489 9.885 1.00 0.00 C ATOM 1476 OG SER A 98 -2.087 -8.525 8.752 1.00 0.00 O ATOM 0 H SER A 98 0.938 -8.491 11.055 1.00 0.00 H new ATOM 0 HA SER A 98 -0.837 -10.508 10.503 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.836 -8.435 10.793 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.623 -7.588 9.855 1.00 0.00 H new ATOM 0 HG SER A 98 -2.901 -9.024 8.970 1.00 0.00 H new ATOM 1482 N TYR A 99 0.554 -9.407 7.704 1.00 0.00 N ATOM 1483 CA TYR A 99 0.859 -9.775 6.326 1.00 0.00 C ATOM 1484 C TYR A 99 1.302 -11.232 6.237 1.00 0.00 C ATOM 1485 O TYR A 99 0.788 -11.999 5.424 1.00 0.00 O ATOM 1486 CB TYR A 99 1.950 -8.864 5.762 1.00 0.00 C ATOM 1487 CG TYR A 99 1.976 -8.813 4.251 1.00 0.00 C ATOM 1488 CD1 TYR A 99 2.472 -9.877 3.509 1.00 0.00 C ATOM 1489 CD2 TYR A 99 1.502 -7.700 3.566 1.00 0.00 C ATOM 1490 CE1 TYR A 99 2.498 -9.834 2.128 1.00 0.00 C ATOM 1491 CE2 TYR A 99 1.522 -7.649 2.186 1.00 0.00 C ATOM 1492 CZ TYR A 99 2.021 -8.718 1.471 1.00 0.00 C ATOM 1493 OH TYR A 99 2.044 -8.672 0.096 1.00 0.00 O ATOM 0 H TYR A 99 0.865 -8.473 7.970 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.049 -9.653 5.735 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.805 -7.855 6.149 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.920 -9.207 6.122 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.844 -10.753 4.020 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.111 -6.861 4.123 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.889 -10.669 1.566 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.149 -6.777 1.669 1.00 0.00 H new ATOM 0 HH TYR A 99 1.179 -8.352 -0.235 1.00 0.00 H new ATOM 1503 N GLU A 100 2.259 -11.606 7.082 1.00 0.00 N ATOM 1504 CA GLU A 100 2.771 -12.971 7.099 1.00 0.00 C ATOM 1505 C GLU A 100 1.678 -13.957 7.500 1.00 0.00 C ATOM 1506 O GLU A 100 1.561 -15.040 6.924 1.00 0.00 O ATOM 1507 CB GLU A 100 3.953 -13.083 8.063 1.00 0.00 C ATOM 1508 CG GLU A 100 5.113 -12.165 7.715 1.00 0.00 C ATOM 1509 CD GLU A 100 6.280 -12.311 8.671 1.00 0.00 C ATOM 1510 OE1 GLU A 100 6.168 -11.835 9.820 1.00 0.00 O ATOM 1511 OE2 GLU A 100 7.306 -12.900 8.270 1.00 0.00 O ATOM 0 H GLU A 100 2.694 -10.983 7.762 1.00 0.00 H new ATOM 0 HA GLU A 100 3.108 -13.219 6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 100 3.610 -12.855 9.072 1.00 0.00 H new ATOM 0 HB3 GLU A 100 4.307 -14.114 8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.450 -12.380 6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 100 4.768 -11.131 7.724 1.00 0.00 H new ATOM 1518 N LYS A 101 0.880 -13.576 8.491 1.00 0.00 N ATOM 1519 CA LYS A 101 -0.205 -14.425 8.970 1.00 0.00 C ATOM 1520 C LYS A 101 -1.065 -14.916 7.810 1.00 0.00 C ATOM 1521 O LYS A 101 -1.415 -16.094 7.740 1.00 0.00 O ATOM 1522 CB LYS A 101 -1.072 -13.661 9.974 1.00 0.00 C ATOM 1523 CG LYS A 101 -1.727 -14.553 11.014 1.00 0.00 C ATOM 1524 CD LYS A 101 -0.703 -15.135 11.974 1.00 0.00 C ATOM 1525 CE LYS A 101 -1.368 -15.730 13.205 1.00 0.00 C ATOM 1526 NZ LYS A 101 -2.303 -16.834 12.852 1.00 0.00 N ATOM 0 H LYS A 101 0.964 -12.684 8.979 1.00 0.00 H new ATOM 0 HA LYS A 101 0.236 -15.291 9.464 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.457 -12.917 10.481 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.847 -13.118 9.433 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.466 -13.979 11.573 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.261 -15.362 10.516 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.122 -15.904 11.465 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.004 -14.356 12.278 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.603 -16.105 13.885 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.912 -14.949 13.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.684 -17.258 13.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.085 -16.457 12.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.794 -17.560 12.308 1.00 0.00 H new ATOM 1540 N ALA A 102 -1.399 -14.006 6.901 1.00 0.00 N ATOM 1541 CA ALA A 102 -2.215 -14.349 5.742 1.00 0.00 C ATOM 1542 C ALA A 102 -1.515 -15.381 4.864 1.00 0.00 C ATOM 1543 O ALA A 102 -1.992 -16.505 4.709 1.00 0.00 O ATOM 1544 CB ALA A 102 -2.538 -13.099 4.936 1.00 0.00 C ATOM 0 H ALA A 102 -1.118 -13.027 6.944 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.146 -14.788 6.101 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.148 -13.369 4.074 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -3.086 -12.394 5.561 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.612 -12.637 4.595 1.00 0.00 H new ATOM 1550 N VAL A 103 -0.381 -14.991 4.290 1.00 0.00 N ATOM 1551 CA VAL A 103 0.385 -15.883 3.427 1.00 0.00 C ATOM 1552 C VAL A 103 0.485 -17.279 4.031 1.00 0.00 C ATOM 1553 O VAL A 103 0.179 -18.275 3.374 1.00 0.00 O ATOM 1554 CB VAL A 103 1.805 -15.340 3.178 1.00 0.00 C ATOM 1555 CG1 VAL A 103 2.602 -16.306 2.315 1.00 0.00 C ATOM 1556 CG2 VAL A 103 1.743 -13.963 2.535 1.00 0.00 C ATOM 0 H VAL A 103 0.027 -14.064 4.407 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.146 -15.938 2.477 1.00 0.00 H new ATOM 0 HB VAL A 103 2.313 -15.245 4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.602 -15.906 2.150 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.675 -17.269 2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.100 -16.436 1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.755 -13.594 2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.217 -14.030 1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.212 -13.277 3.195 1.00 0.00 H new ATOM 1566 N LYS A 104 0.916 -17.346 5.286 1.00 0.00 N ATOM 1567 CA LYS A 104 1.055 -18.620 5.981 1.00 0.00 C ATOM 1568 C LYS A 104 -0.269 -19.377 6.000 1.00 0.00 C ATOM 1569 O LYS A 104 -0.306 -20.588 5.786 1.00 0.00 O ATOM 1570 CB LYS A 104 1.546 -18.393 7.412 1.00 0.00 C ATOM 1571 CG LYS A 104 1.749 -19.678 8.197 1.00 0.00 C ATOM 1572 CD LYS A 104 3.080 -20.330 7.864 1.00 0.00 C ATOM 1573 CE LYS A 104 4.182 -19.855 8.799 1.00 0.00 C ATOM 1574 NZ LYS A 104 4.906 -18.675 8.250 1.00 0.00 N ATOM 0 H LYS A 104 1.175 -16.532 5.843 1.00 0.00 H new ATOM 0 HA LYS A 104 1.789 -19.221 5.443 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.487 -17.843 7.381 1.00 0.00 H new ATOM 0 HB3 LYS A 104 0.827 -17.765 7.939 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.705 -19.464 9.265 1.00 0.00 H new ATOM 0 HG3 LYS A 104 0.938 -20.372 7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.983 -21.413 7.934 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.351 -20.100 6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.751 -19.599 9.767 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.889 -20.667 8.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.845 -18.608 8.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.014 -18.782 7.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.365 -17.810 8.453 1.00 0.00 H new ATOM 1588 N ASN A 105 -1.355 -18.654 6.257 1.00 0.00 N ATOM 1589 CA ASN A 105 -2.682 -19.258 6.303 1.00 0.00 C ATOM 1590 C ASN A 105 -3.391 -19.115 4.961 1.00 0.00 C ATOM 1591 O ASN A 105 -4.617 -19.198 4.884 1.00 0.00 O ATOM 1592 CB ASN A 105 -3.520 -18.612 7.408 1.00 0.00 C ATOM 1593 CG ASN A 105 -2.820 -18.632 8.753 1.00 0.00 C ATOM 1594 OD1 ASN A 105 -2.799 -17.487 9.426 1.00 0.00 O flip ATOM 1595 ND2 ASN A 105 -2.304 -19.664 9.181 1.00 0.00 N flip ATOM 0 H ASN A 105 -1.342 -17.650 6.436 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.564 -20.320 6.519 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.745 -17.581 7.134 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.473 -19.135 7.490 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -2.344 -20.521 8.629 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -1.836 -19.662 10.087 1.00 0.00 H new ATOM 1602 N GLN A 106 -2.612 -18.902 3.905 1.00 0.00 N ATOM 1603 CA GLN A 106 -3.166 -18.748 2.566 1.00 0.00 C ATOM 1604 C GLN A 106 -4.471 -17.958 2.604 1.00 0.00 C ATOM 1605 O GLN A 106 -5.442 -18.311 1.935 1.00 0.00 O ATOM 1606 CB GLN A 106 -3.405 -20.118 1.928 1.00 0.00 C ATOM 1607 CG GLN A 106 -2.127 -20.815 1.491 1.00 0.00 C ATOM 1608 CD GLN A 106 -2.374 -22.224 0.986 1.00 0.00 C ATOM 1609 OE1 GLN A 106 -2.842 -22.420 -0.136 1.00 0.00 O ATOM 1610 NE2 GLN A 106 -2.060 -23.213 1.815 1.00 0.00 N ATOM 0 H GLN A 106 -1.595 -18.832 3.952 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.445 -18.196 1.964 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.931 -20.754 2.639 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.058 -19.998 1.063 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -1.649 -20.230 0.705 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -1.432 -20.850 2.330 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -1.675 -23.004 2.736 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -2.204 -24.182 1.531 1.00 0.00 H new ATOM 1619 N VAL A 107 -4.486 -16.887 3.391 1.00 0.00 N ATOM 1620 CA VAL A 107 -5.670 -16.046 3.516 1.00 0.00 C ATOM 1621 C VAL A 107 -5.791 -15.088 2.337 1.00 0.00 C ATOM 1622 O VAL A 107 -4.792 -14.555 1.852 1.00 0.00 O ATOM 1623 CB VAL A 107 -5.646 -15.233 4.824 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -6.858 -14.317 4.906 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -5.588 -16.162 6.027 1.00 0.00 C ATOM 0 H VAL A 107 -3.691 -16.581 3.952 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.532 -16.713 3.528 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.750 -14.612 4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.824 -13.751 5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -6.851 -13.628 4.062 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -7.769 -14.915 4.879 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.572 -15.571 6.943 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.465 -16.810 6.029 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.686 -16.772 5.973 1.00 0.00 H new ATOM 1635 N ASP A 108 -7.019 -14.872 1.880 1.00 0.00 N ATOM 1636 CA ASP A 108 -7.272 -13.976 0.757 1.00 0.00 C ATOM 1637 C ASP A 108 -7.003 -12.526 1.149 1.00 0.00 C ATOM 1638 O ASP A 108 -7.705 -11.958 1.987 1.00 0.00 O ATOM 1639 CB ASP A 108 -8.714 -14.127 0.271 1.00 0.00 C ATOM 1640 CG ASP A 108 -9.042 -15.551 -0.134 1.00 0.00 C ATOM 1641 OD1 ASP A 108 -9.032 -16.435 0.748 1.00 0.00 O ATOM 1642 OD2 ASP A 108 -9.308 -15.781 -1.332 1.00 0.00 O ATOM 0 H ASP A 108 -7.856 -15.305 2.270 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.594 -14.247 -0.053 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.396 -13.811 1.061 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -8.880 -13.464 -0.578 1.00 0.00 H new ATOM 1647 N LEU A 109 -5.983 -11.933 0.539 1.00 0.00 N ATOM 1648 CA LEU A 109 -5.620 -10.549 0.824 1.00 0.00 C ATOM 1649 C LEU A 109 -6.526 -9.582 0.069 1.00 0.00 C ATOM 1650 O LEU A 109 -6.801 -8.478 0.537 1.00 0.00 O ATOM 1651 CB LEU A 109 -4.159 -10.297 0.448 1.00 0.00 C ATOM 1652 CG LEU A 109 -3.112 -10.984 1.325 1.00 0.00 C ATOM 1653 CD1 LEU A 109 -1.729 -10.857 0.704 1.00 0.00 C ATOM 1654 CD2 LEU A 109 -3.123 -10.396 2.729 1.00 0.00 C ATOM 0 H LEU A 109 -5.392 -12.389 -0.156 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.748 -10.378 1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.009 -10.620 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.978 -9.222 0.475 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.362 -12.043 1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.997 -11.352 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.728 -11.325 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.470 -9.803 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.372 -10.897 3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.898 -9.331 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.107 -10.539 3.176 1.00 0.00 H new ATOM 1666 N LYS A 110 -6.989 -10.006 -1.102 1.00 0.00 N ATOM 1667 CA LYS A 110 -7.868 -9.180 -1.922 1.00 0.00 C ATOM 1668 C LYS A 110 -9.034 -8.643 -1.099 1.00 0.00 C ATOM 1669 O LYS A 110 -9.562 -7.568 -1.382 1.00 0.00 O ATOM 1670 CB LYS A 110 -8.397 -9.986 -3.111 1.00 0.00 C ATOM 1671 CG LYS A 110 -7.310 -10.436 -4.072 1.00 0.00 C ATOM 1672 CD LYS A 110 -7.897 -11.101 -5.306 1.00 0.00 C ATOM 1673 CE LYS A 110 -8.546 -10.084 -6.232 1.00 0.00 C ATOM 1674 NZ LYS A 110 -8.764 -10.638 -7.597 1.00 0.00 N ATOM 0 H LYS A 110 -6.770 -10.917 -1.505 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.289 -8.335 -2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.927 -10.863 -2.738 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -9.124 -9.382 -3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.709 -9.577 -4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -6.641 -11.132 -3.566 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.111 -11.633 -5.842 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.636 -11.843 -5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.501 -9.767 -5.812 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.916 -9.197 -6.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.208 -9.915 -8.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.850 -10.917 -8.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.386 -11.469 -7.539 1.00 0.00 H new ATOM 1688 N GLU A 111 -9.431 -9.399 -0.080 1.00 0.00 N ATOM 1689 CA GLU A 111 -10.535 -8.997 0.784 1.00 0.00 C ATOM 1690 C GLU A 111 -10.157 -7.776 1.617 1.00 0.00 C ATOM 1691 O GLU A 111 -10.957 -6.855 1.789 1.00 0.00 O ATOM 1692 CB GLU A 111 -10.938 -10.151 1.704 1.00 0.00 C ATOM 1693 CG GLU A 111 -11.351 -11.409 0.958 1.00 0.00 C ATOM 1694 CD GLU A 111 -12.526 -11.176 0.028 1.00 0.00 C ATOM 1695 OE1 GLU A 111 -13.597 -10.760 0.516 1.00 0.00 O ATOM 1696 OE2 GLU A 111 -12.373 -11.409 -1.190 1.00 0.00 O ATOM 0 H GLU A 111 -9.005 -10.292 0.167 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.382 -8.735 0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.103 -10.387 2.363 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.763 -9.828 2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.504 -11.780 0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.610 -12.185 1.678 1.00 0.00 H new ATOM 1703 N LEU A 112 -8.933 -7.775 2.134 1.00 0.00 N ATOM 1704 CA LEU A 112 -8.447 -6.668 2.950 1.00 0.00 C ATOM 1705 C LEU A 112 -8.913 -5.330 2.386 1.00 0.00 C ATOM 1706 O LEU A 112 -8.401 -4.862 1.369 1.00 0.00 O ATOM 1707 CB LEU A 112 -6.920 -6.698 3.029 1.00 0.00 C ATOM 1708 CG LEU A 112 -6.297 -8.016 3.489 1.00 0.00 C ATOM 1709 CD1 LEU A 112 -4.786 -7.978 3.327 1.00 0.00 C ATOM 1710 CD2 LEU A 112 -6.673 -8.307 4.935 1.00 0.00 C ATOM 0 H LEU A 112 -8.259 -8.529 2.002 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.858 -6.781 3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.521 -6.455 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.596 -5.910 3.708 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.688 -8.818 2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.360 -8.925 3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.536 -7.816 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.376 -7.165 3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.221 -9.249 5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.310 -7.502 5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.757 -8.379 5.022 1.00 0.00 H new ATOM 1722 N ASP A 113 -9.885 -4.718 3.053 1.00 0.00 N ATOM 1723 CA ASP A 113 -10.418 -3.432 2.620 1.00 0.00 C ATOM 1724 C ASP A 113 -11.026 -2.672 3.795 1.00 0.00 C ATOM 1725 O ASP A 113 -12.074 -3.053 4.316 1.00 0.00 O ATOM 1726 CB ASP A 113 -11.470 -3.633 1.527 1.00 0.00 C ATOM 1727 CG ASP A 113 -10.850 -3.874 0.165 1.00 0.00 C ATOM 1728 OD1 ASP A 113 -9.880 -3.167 -0.179 1.00 0.00 O ATOM 1729 OD2 ASP A 113 -11.336 -4.770 -0.557 1.00 0.00 O ATOM 0 H ASP A 113 -10.320 -5.092 3.896 1.00 0.00 H new ATOM 0 HA ASP A 113 -9.594 -2.843 2.217 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.105 -4.479 1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.113 -2.754 1.480 1.00 0.00 H new ATOM 1734 N GLN A 114 -10.360 -1.598 4.206 1.00 0.00 N ATOM 1735 CA GLN A 114 -10.834 -0.786 5.320 1.00 0.00 C ATOM 1736 C GLN A 114 -12.356 -0.676 5.305 1.00 0.00 C ATOM 1737 O GLN A 114 -12.922 0.312 5.773 1.00 0.00 O ATOM 1738 CB GLN A 114 -10.210 0.609 5.265 1.00 0.00 C ATOM 1739 CG GLN A 114 -10.739 1.468 4.127 1.00 0.00 C ATOM 1740 CD GLN A 114 -10.129 1.102 2.788 1.00 0.00 C ATOM 1741 OE1 GLN A 114 -8.987 1.703 2.474 1.00 0.00 O flip ATOM 1742 NE2 GLN A 114 -10.679 0.290 2.044 1.00 0.00 N flip ATOM 0 H GLN A 114 -9.491 -1.270 3.784 1.00 0.00 H new ATOM 0 HA GLN A 114 -10.532 -1.275 6.246 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -10.396 1.119 6.210 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -9.129 0.511 5.163 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -11.822 1.362 4.070 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -10.532 2.516 4.342 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -11.556 -0.148 2.326 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -10.258 0.055 1.145 1.00 0.00 H new