USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 706 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 33 THR OG1 : rot 69:sc= -0.786 USER MOD Set 1.2: A 97 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 62 SER OG : rot 140:sc= 0.344 USER MOD Set 3.2: A 71 SER OG : rot 125:sc= 0.195 USER MOD Set 4.1: A 17 SER OG : rot 24:sc= -1.54! USER MOD Set 4.2: A 56 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 43 ASN : amide:sc= -3.27! C(o=-5.4!,f=-5.2!) USER MOD Set 5.2: A 58 THR OG1 : rot -50:sc= -2.18! USER MOD Set 6.1: A 7 THR OG1 : rot -150:sc= 0.0319 USER MOD Set 6.2: A 93 ASN : amide:sc= -0.6 K(o=-0.57,f=-9.9!) USER MOD Single : A 10 ASN : amide:sc= -6.96! C(o=-7!,f=-18!) USER MOD Single : A 11 THR OG1 : rot 126:sc= -1.94 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0676 X(o=-0.068,f=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 32 SER OG : rot 46:sc= 0.36 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -4.41 K(o=-4.4,f=-5.8!) USER MOD Single : A 40 HIS : no HD1:sc= -4.75! C(o=-4.7!,f=-4.9!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 53 SER OG : rot 161:sc= -2.46 USER MOD Single : A 54 ASN : amide:sc= -4.56! C(o=-4.6!,f=-9.7!) USER MOD Single : A 57 GLN : amide:sc= -0.0228 K(o=-0.023,f=-1.9!) USER MOD Single : A 60 TYR OH : rot -35:sc= 1.1 USER MOD Single : A 61 ASN : amide:sc=-0.00178 K(o=-0.0018,f=-0.98) USER MOD Single : A 65 GLN : amide:sc= -0.338 K(o=-0.34,f=-4.3!) USER MOD Single : A 67 SER OG : rot 93:sc= 0.695 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 155:sc= 0.806 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 26:sc= 1.1 USER MOD Single : A 83 SER OG : rot -130:sc= -0.842 USER MOD Single : A 88 ASN :FLIP amide:sc= -4.91! C(o=-7!,f=-4.9!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0.356 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A 4 11.020 -5.034 -5.129 1.00 0.00 N ATOM 59 CA PHE A 4 11.826 -6.084 -5.755 1.00 0.00 C ATOM 60 C PHE A 4 13.278 -6.019 -5.286 1.00 0.00 C ATOM 61 O PHE A 4 13.917 -7.050 -5.083 1.00 0.00 O ATOM 62 CB PHE A 4 11.751 -5.992 -7.285 1.00 0.00 C ATOM 63 CG PHE A 4 12.620 -4.924 -7.890 1.00 0.00 C ATOM 64 CD1 PHE A 4 12.220 -3.599 -7.880 1.00 0.00 C ATOM 65 CD2 PHE A 4 13.834 -5.250 -8.473 1.00 0.00 C ATOM 66 CE1 PHE A 4 13.016 -2.617 -8.438 1.00 0.00 C ATOM 67 CE2 PHE A 4 14.634 -4.273 -9.032 1.00 0.00 C ATOM 68 CZ PHE A 4 14.224 -2.955 -9.016 1.00 0.00 C ATOM 0 HA PHE A 4 11.414 -7.045 -5.447 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.034 -6.956 -7.708 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.716 -5.808 -7.575 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.275 -3.330 -7.431 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.158 -6.280 -8.490 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.694 -1.586 -8.422 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.579 -4.540 -9.481 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.847 -2.189 -9.455 1.00 0.00 H new ATOM 78 N ILE A 5 13.799 -4.807 -5.112 1.00 0.00 N ATOM 79 CA ILE A 5 15.176 -4.638 -4.663 1.00 0.00 C ATOM 80 C ILE A 5 15.356 -5.152 -3.239 1.00 0.00 C ATOM 81 O ILE A 5 16.481 -5.347 -2.778 1.00 0.00 O ATOM 82 CB ILE A 5 15.616 -3.159 -4.725 1.00 0.00 C ATOM 83 CG1 ILE A 5 17.139 -3.049 -4.598 1.00 0.00 C ATOM 84 CG2 ILE A 5 14.928 -2.343 -3.636 1.00 0.00 C ATOM 85 CD1 ILE A 5 17.872 -3.229 -5.909 1.00 0.00 C ATOM 0 H ILE A 5 13.293 -3.936 -5.274 1.00 0.00 H new ATOM 0 HA ILE A 5 15.801 -5.221 -5.340 1.00 0.00 H new ATOM 0 HB ILE A 5 15.318 -2.754 -5.692 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.391 -2.074 -4.182 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.491 -3.798 -3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.253 -1.305 -3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.848 -2.394 -3.771 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.191 -2.747 -2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 5 18.945 -3.138 -5.741 1.00 0.00 H new ATOM 0 HD12 ILE A 5 17.651 -4.215 -6.317 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.549 -2.463 -6.615 1.00 0.00 H new ATOM 97 N GLU A 6 14.245 -5.392 -2.549 1.00 0.00 N ATOM 98 CA GLU A 6 14.291 -5.905 -1.193 1.00 0.00 C ATOM 99 C GLU A 6 14.598 -7.402 -1.214 1.00 0.00 C ATOM 100 O GLU A 6 15.182 -7.943 -0.275 1.00 0.00 O ATOM 101 CB GLU A 6 12.955 -5.618 -0.497 1.00 0.00 C ATOM 102 CG GLU A 6 12.672 -6.492 0.710 1.00 0.00 C ATOM 103 CD GLU A 6 13.657 -6.263 1.840 1.00 0.00 C ATOM 104 OE1 GLU A 6 14.194 -5.140 1.940 1.00 0.00 O ATOM 105 OE2 GLU A 6 13.890 -7.206 2.625 1.00 0.00 O ATOM 0 H GLU A 6 13.304 -5.238 -2.911 1.00 0.00 H new ATOM 0 HA GLU A 6 15.084 -5.409 -0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.940 -4.574 -0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.149 -5.746 -1.219 1.00 0.00 H new ATOM 0 HG2 GLU A 6 11.662 -6.294 1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 6 12.705 -7.540 0.411 1.00 0.00 H new ATOM 112 N THR A 7 14.217 -8.059 -2.309 1.00 0.00 N ATOM 113 CA THR A 7 14.469 -9.485 -2.478 1.00 0.00 C ATOM 114 C THR A 7 15.361 -9.748 -3.696 1.00 0.00 C ATOM 115 O THR A 7 15.501 -10.890 -4.134 1.00 0.00 O ATOM 116 CB THR A 7 13.151 -10.246 -2.626 1.00 0.00 C ATOM 117 OG1 THR A 7 12.373 -9.704 -3.678 1.00 0.00 O ATOM 118 CG2 THR A 7 12.303 -10.228 -1.373 1.00 0.00 C ATOM 0 H THR A 7 13.732 -7.623 -3.093 1.00 0.00 H new ATOM 0 HA THR A 7 14.989 -9.839 -1.588 1.00 0.00 H new ATOM 0 HB THR A 7 13.437 -11.277 -2.836 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.422 -9.832 -3.481 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.383 -10.786 -1.548 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.855 -10.687 -0.553 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.059 -9.198 -1.114 1.00 0.00 H new ATOM 126 N CYS A 8 15.946 -8.690 -4.255 1.00 0.00 N ATOM 127 CA CYS A 8 16.796 -8.832 -5.429 1.00 0.00 C ATOM 128 C CYS A 8 18.178 -8.234 -5.197 1.00 0.00 C ATOM 129 O CYS A 8 18.338 -7.274 -4.444 1.00 0.00 O ATOM 130 CB CYS A 8 16.138 -8.168 -6.642 1.00 0.00 C ATOM 131 SG CYS A 8 14.560 -8.931 -7.143 1.00 0.00 S ATOM 0 H CYS A 8 15.846 -7.733 -3.915 1.00 0.00 H new ATOM 0 HA CYS A 8 16.919 -9.898 -5.621 1.00 0.00 H new ATOM 0 HB2 CYS A 8 15.965 -7.115 -6.417 1.00 0.00 H new ATOM 0 HB3 CYS A 8 16.830 -8.205 -7.483 1.00 0.00 H new ATOM 136 N ARG A 9 19.173 -8.807 -5.864 1.00 0.00 N ATOM 137 CA ARG A 9 20.546 -8.339 -5.745 1.00 0.00 C ATOM 138 C ARG A 9 21.196 -8.211 -7.120 1.00 0.00 C ATOM 139 O ARG A 9 20.608 -8.602 -8.127 1.00 0.00 O ATOM 140 CB ARG A 9 21.359 -9.287 -4.865 1.00 0.00 C ATOM 141 CG ARG A 9 21.133 -10.757 -5.175 1.00 0.00 C ATOM 142 CD ARG A 9 21.981 -11.648 -4.283 1.00 0.00 C ATOM 143 NE ARG A 9 23.408 -11.362 -4.416 1.00 0.00 N ATOM 144 CZ ARG A 9 24.338 -11.835 -3.590 1.00 0.00 C ATOM 145 NH1 ARG A 9 23.997 -12.624 -2.577 1.00 0.00 N ATOM 146 NH2 ARG A 9 25.613 -11.522 -3.779 1.00 0.00 N ATOM 0 H ARG A 9 19.052 -9.599 -6.495 1.00 0.00 H new ATOM 0 HA ARG A 9 20.529 -7.354 -5.278 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.418 -9.059 -4.983 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.108 -9.103 -3.820 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.079 -11.001 -5.040 1.00 0.00 H new ATOM 0 HG3 ARG A 9 21.374 -10.951 -6.220 1.00 0.00 H new ATOM 0 HD2 ARG A 9 21.680 -11.512 -3.244 1.00 0.00 H new ATOM 0 HD3 ARG A 9 21.796 -12.692 -4.534 1.00 0.00 H new ATOM 0 HE ARG A 9 23.709 -10.765 -5.187 1.00 0.00 H new ATOM 0 HH11 ARG A 9 23.018 -12.870 -2.429 1.00 0.00 H new ATOM 0 HH12 ARG A 9 24.714 -12.984 -1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 9 25.880 -10.919 -4.557 1.00 0.00 H new ATOM 0 HH22 ARG A 9 26.326 -11.884 -3.146 1.00 0.00 H new ATOM 160 N ASN A 10 22.407 -7.653 -7.151 1.00 0.00 N ATOM 161 CA ASN A 10 23.159 -7.455 -8.395 1.00 0.00 C ATOM 162 C ASN A 10 22.319 -6.775 -9.470 1.00 0.00 C ATOM 163 O ASN A 10 22.167 -7.292 -10.578 1.00 0.00 O ATOM 164 CB ASN A 10 23.738 -8.777 -8.926 1.00 0.00 C ATOM 165 CG ASN A 10 22.798 -9.956 -8.790 1.00 0.00 C ATOM 166 OD1 ASN A 10 21.841 -10.097 -9.552 1.00 0.00 O ATOM 167 ND2 ASN A 10 23.076 -10.819 -7.820 1.00 0.00 N ATOM 0 H ASN A 10 22.895 -7.326 -6.317 1.00 0.00 H new ATOM 0 HA ASN A 10 23.989 -6.792 -8.150 1.00 0.00 H new ATOM 0 HB2 ASN A 10 23.999 -8.652 -9.977 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.662 -8.998 -8.392 1.00 0.00 H new ATOM 0 HD21 ASN A 10 22.486 -11.639 -7.683 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.880 -10.662 -7.212 1.00 0.00 H new ATOM 174 N THR A 11 21.798 -5.598 -9.143 1.00 0.00 N ATOM 175 CA THR A 11 21.002 -4.831 -10.088 1.00 0.00 C ATOM 176 C THR A 11 21.918 -4.104 -11.069 1.00 0.00 C ATOM 177 O THR A 11 22.913 -3.499 -10.671 1.00 0.00 O ATOM 178 CB THR A 11 20.105 -3.836 -9.350 1.00 0.00 C ATOM 179 OG1 THR A 11 20.870 -2.773 -8.809 1.00 0.00 O ATOM 180 CG2 THR A 11 19.325 -4.465 -8.214 1.00 0.00 C ATOM 0 H THR A 11 21.914 -5.156 -8.231 1.00 0.00 H new ATOM 0 HA THR A 11 20.362 -5.515 -10.646 1.00 0.00 H new ATOM 0 HB THR A 11 19.401 -3.472 -10.098 1.00 0.00 H new ATOM 0 HG1 THR A 11 20.501 -1.917 -9.112 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.709 -3.706 -7.732 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.686 -5.256 -8.606 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.018 -4.886 -7.486 1.00 0.00 H new ATOM 188 N GLN A 12 21.586 -4.181 -12.353 1.00 0.00 N ATOM 189 CA GLN A 12 22.393 -3.543 -13.388 1.00 0.00 C ATOM 190 C GLN A 12 21.580 -3.276 -14.646 1.00 0.00 C ATOM 191 O GLN A 12 20.501 -3.838 -14.832 1.00 0.00 O ATOM 192 CB GLN A 12 23.617 -4.398 -13.719 1.00 0.00 C ATOM 193 CG GLN A 12 23.284 -5.847 -14.029 1.00 0.00 C ATOM 194 CD GLN A 12 24.410 -6.556 -14.754 1.00 0.00 C ATOM 195 OE1 GLN A 12 25.586 -6.272 -14.526 1.00 0.00 O ATOM 196 NE2 GLN A 12 24.056 -7.485 -15.634 1.00 0.00 N ATOM 0 H GLN A 12 20.766 -4.677 -12.702 1.00 0.00 H new ATOM 0 HA GLN A 12 22.729 -2.583 -12.997 1.00 0.00 H new ATOM 0 HB2 GLN A 12 24.133 -3.962 -14.574 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.310 -4.366 -12.878 1.00 0.00 H new ATOM 0 HG2 GLN A 12 23.065 -6.373 -13.100 1.00 0.00 H new ATOM 0 HG3 GLN A 12 22.381 -5.887 -14.638 1.00 0.00 H new ATOM 0 HE21 GLN A 12 23.069 -7.688 -15.792 1.00 0.00 H new ATOM 0 HE22 GLN A 12 24.771 -7.995 -16.152 1.00 0.00 H new ATOM 205 N LEU A 13 22.107 -2.413 -15.507 1.00 0.00 N ATOM 206 CA LEU A 13 21.430 -2.071 -16.747 1.00 0.00 C ATOM 207 C LEU A 13 21.982 -2.881 -17.907 1.00 0.00 C ATOM 208 O LEU A 13 23.194 -3.031 -18.056 1.00 0.00 O ATOM 209 CB LEU A 13 21.601 -0.587 -17.061 1.00 0.00 C ATOM 210 CG LEU A 13 20.872 -0.116 -18.323 1.00 0.00 C ATOM 211 CD1 LEU A 13 19.719 0.800 -17.957 1.00 0.00 C ATOM 212 CD2 LEU A 13 21.830 0.581 -19.284 1.00 0.00 C ATOM 0 H LEU A 13 23.000 -1.939 -15.367 1.00 0.00 H new ATOM 0 HA LEU A 13 20.372 -2.300 -16.616 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.243 -0.005 -16.212 1.00 0.00 H new ATOM 0 HB3 LEU A 13 22.664 -0.372 -17.169 1.00 0.00 H new ATOM 0 HG LEU A 13 20.471 -0.994 -18.830 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.211 1.126 -18.865 1.00 0.00 H new ATOM 0 HD12 LEU A 13 19.016 0.263 -17.321 1.00 0.00 H new ATOM 0 HD13 LEU A 13 20.101 1.670 -17.422 1.00 0.00 H new ATOM 0 HD21 LEU A 13 21.285 0.904 -20.171 1.00 0.00 H new ATOM 0 HD22 LEU A 13 22.271 1.448 -18.793 1.00 0.00 H new ATOM 0 HD23 LEU A 13 22.620 -0.111 -19.576 1.00 0.00 H new ATOM 224 N ALA A 14 21.081 -3.386 -18.736 1.00 0.00 N ATOM 225 CA ALA A 14 21.449 -4.167 -19.903 1.00 0.00 C ATOM 226 C ALA A 14 20.905 -3.485 -21.148 1.00 0.00 C ATOM 227 O ALA A 14 19.832 -2.885 -21.108 1.00 0.00 O ATOM 228 CB ALA A 14 20.903 -5.582 -19.780 1.00 0.00 C ATOM 0 H ALA A 14 20.075 -3.265 -18.617 1.00 0.00 H new ATOM 0 HA ALA A 14 22.535 -4.230 -19.977 1.00 0.00 H new ATOM 0 HB1 ALA A 14 21.185 -6.159 -20.661 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.316 -6.055 -18.889 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.816 -5.547 -19.702 1.00 0.00 H new ATOM 234 N GLY A 15 21.646 -3.546 -22.245 1.00 0.00 N ATOM 235 CA GLY A 15 21.194 -2.894 -23.459 1.00 0.00 C ATOM 236 C GLY A 15 21.012 -1.402 -23.248 1.00 0.00 C ATOM 237 O GLY A 15 21.688 -0.809 -22.408 1.00 0.00 O ATOM 0 H GLY A 15 22.542 -4.029 -22.318 1.00 0.00 H new ATOM 0 HA2 GLY A 15 21.916 -3.065 -24.257 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.251 -3.336 -23.782 1.00 0.00 H new ATOM 241 N SER A 16 20.126 -0.782 -24.019 1.00 0.00 N ATOM 242 CA SER A 16 19.911 0.657 -23.902 1.00 0.00 C ATOM 243 C SER A 16 18.903 1.016 -22.814 1.00 0.00 C ATOM 244 O SER A 16 19.065 2.030 -22.135 1.00 0.00 O ATOM 245 CB SER A 16 19.420 1.223 -25.232 1.00 0.00 C ATOM 246 OG SER A 16 20.097 0.623 -26.324 1.00 0.00 O ATOM 0 H SER A 16 19.551 -1.245 -24.723 1.00 0.00 H new ATOM 0 HA SER A 16 20.871 1.094 -23.628 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.347 1.055 -25.328 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.576 2.302 -25.252 1.00 0.00 H new ATOM 0 HG SER A 16 19.763 1.002 -27.164 1.00 0.00 H new ATOM 252 N SER A 17 17.857 0.211 -22.646 1.00 0.00 N ATOM 253 CA SER A 17 16.854 0.514 -21.638 1.00 0.00 C ATOM 254 C SER A 17 16.328 -0.738 -20.932 1.00 0.00 C ATOM 255 O SER A 17 15.154 -0.803 -20.573 1.00 0.00 O ATOM 256 CB SER A 17 15.710 1.296 -22.282 1.00 0.00 C ATOM 257 OG SER A 17 15.410 0.795 -23.571 1.00 0.00 O ATOM 0 H SER A 17 17.686 -0.638 -23.184 1.00 0.00 H new ATOM 0 HA SER A 17 17.329 1.121 -20.867 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.824 1.236 -21.650 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.980 2.350 -22.352 1.00 0.00 H new ATOM 0 HG SER A 17 15.702 -0.138 -23.635 1.00 0.00 H new ATOM 263 N GLU A 18 17.203 -1.720 -20.717 1.00 0.00 N ATOM 264 CA GLU A 18 16.822 -2.954 -20.023 1.00 0.00 C ATOM 265 C GLU A 18 17.525 -3.078 -18.678 1.00 0.00 C ATOM 266 O GLU A 18 18.663 -2.643 -18.517 1.00 0.00 O ATOM 267 CB GLU A 18 17.127 -4.198 -20.864 1.00 0.00 C ATOM 268 CG GLU A 18 16.067 -4.514 -21.899 1.00 0.00 C ATOM 269 CD GLU A 18 16.499 -4.182 -23.313 1.00 0.00 C ATOM 270 OE1 GLU A 18 17.648 -4.511 -23.676 1.00 0.00 O ATOM 271 OE2 GLU A 18 15.687 -3.595 -24.059 1.00 0.00 O ATOM 0 H GLU A 18 18.179 -1.687 -21.012 1.00 0.00 H new ATOM 0 HA GLU A 18 15.746 -2.894 -19.861 1.00 0.00 H new ATOM 0 HB2 GLU A 18 18.083 -4.058 -21.368 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.239 -5.055 -20.200 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.816 -5.573 -21.841 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.160 -3.958 -21.663 1.00 0.00 H new ATOM 278 N LEU A 19 16.842 -3.691 -17.717 1.00 0.00 N ATOM 279 CA LEU A 19 17.400 -3.899 -16.388 1.00 0.00 C ATOM 280 C LEU A 19 17.461 -5.393 -16.093 1.00 0.00 C ATOM 281 O LEU A 19 16.446 -6.085 -16.167 1.00 0.00 O ATOM 282 CB LEU A 19 16.548 -3.177 -15.335 1.00 0.00 C ATOM 283 CG LEU A 19 16.701 -3.679 -13.895 1.00 0.00 C ATOM 284 CD1 LEU A 19 18.133 -3.505 -13.414 1.00 0.00 C ATOM 285 CD2 LEU A 19 15.733 -2.952 -12.972 1.00 0.00 C ATOM 0 H LEU A 19 15.896 -4.054 -17.836 1.00 0.00 H new ATOM 0 HA LEU A 19 18.408 -3.487 -16.351 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.797 -2.116 -15.358 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.500 -3.264 -15.621 1.00 0.00 H new ATOM 0 HG LEU A 19 16.463 -4.742 -13.875 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.219 -3.868 -12.390 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.805 -4.073 -14.058 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.403 -2.450 -13.449 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.855 -3.321 -11.954 1.00 0.00 H new ATOM 0 HD22 LEU A 19 15.940 -1.882 -12.998 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.710 -3.132 -13.303 1.00 0.00 H new ATOM 297 N ALA A 20 18.639 -5.898 -15.750 1.00 0.00 N ATOM 298 CA ALA A 20 18.787 -7.308 -15.442 1.00 0.00 C ATOM 299 C ALA A 20 19.316 -7.473 -14.020 1.00 0.00 C ATOM 300 O ALA A 20 20.126 -6.673 -13.552 1.00 0.00 O ATOM 301 CB ALA A 20 19.695 -7.971 -16.466 1.00 0.00 C ATOM 0 H ALA A 20 19.499 -5.354 -15.679 1.00 0.00 H new ATOM 0 HA ALA A 20 17.816 -7.801 -15.495 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.801 -9.029 -16.227 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.261 -7.865 -17.460 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.675 -7.495 -16.445 1.00 0.00 H new ATOM 307 N ALA A 21 18.838 -8.501 -13.330 1.00 0.00 N ATOM 308 CA ALA A 21 19.243 -8.755 -11.951 1.00 0.00 C ATOM 309 C ALA A 21 18.931 -10.187 -11.541 1.00 0.00 C ATOM 310 O ALA A 21 18.241 -10.909 -12.261 1.00 0.00 O ATOM 311 CB ALA A 21 18.562 -7.773 -11.010 1.00 0.00 C ATOM 0 H ALA A 21 18.168 -9.174 -13.703 1.00 0.00 H new ATOM 0 HA ALA A 21 20.322 -8.614 -11.885 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.874 -7.975 -9.985 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.843 -6.755 -11.281 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.481 -7.884 -11.089 1.00 0.00 H new ATOM 317 N GLU A 22 19.391 -10.582 -10.357 1.00 0.00 N ATOM 318 CA GLU A 22 19.099 -11.907 -9.836 1.00 0.00 C ATOM 319 C GLU A 22 18.165 -11.758 -8.641 1.00 0.00 C ATOM 320 O GLU A 22 18.386 -10.905 -7.780 1.00 0.00 O ATOM 321 CB GLU A 22 20.383 -12.630 -9.419 1.00 0.00 C ATOM 322 CG GLU A 22 21.332 -12.917 -10.572 1.00 0.00 C ATOM 323 CD GLU A 22 22.043 -14.249 -10.425 1.00 0.00 C ATOM 324 OE1 GLU A 22 21.430 -15.289 -10.749 1.00 0.00 O ATOM 325 OE2 GLU A 22 23.212 -14.254 -9.986 1.00 0.00 O ATOM 0 H GLU A 22 19.965 -10.003 -9.745 1.00 0.00 H new ATOM 0 HA GLU A 22 18.624 -12.505 -10.613 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.903 -12.026 -8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.118 -13.571 -8.937 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.773 -12.909 -11.508 1.00 0.00 H new ATOM 0 HG3 GLU A 22 22.072 -12.119 -10.636 1.00 0.00 H new ATOM 332 N CYS A 23 17.112 -12.565 -8.584 1.00 0.00 N ATOM 333 CA CYS A 23 16.162 -12.471 -7.484 1.00 0.00 C ATOM 334 C CYS A 23 15.872 -13.832 -6.867 1.00 0.00 C ATOM 335 O CYS A 23 15.652 -14.816 -7.572 1.00 0.00 O ATOM 336 CB CYS A 23 14.862 -11.830 -7.967 1.00 0.00 C ATOM 337 SG CYS A 23 15.075 -10.164 -8.670 1.00 0.00 S ATOM 0 H CYS A 23 16.897 -13.282 -9.277 1.00 0.00 H new ATOM 0 HA CYS A 23 16.613 -11.847 -6.713 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.408 -12.475 -8.719 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.164 -11.774 -7.132 1.00 0.00 H new ATOM 342 N LYS A 24 15.893 -13.877 -5.541 1.00 0.00 N ATOM 343 CA LYS A 24 15.642 -15.114 -4.816 1.00 0.00 C ATOM 344 C LYS A 24 14.205 -15.591 -5.010 1.00 0.00 C ATOM 345 O LYS A 24 13.260 -14.804 -4.960 1.00 0.00 O ATOM 346 CB LYS A 24 15.941 -14.933 -3.324 1.00 0.00 C ATOM 347 CG LYS A 24 15.037 -13.919 -2.644 1.00 0.00 C ATOM 348 CD LYS A 24 14.961 -14.153 -1.143 1.00 0.00 C ATOM 349 CE LYS A 24 15.905 -13.232 -0.384 1.00 0.00 C ATOM 350 NZ LYS A 24 15.955 -13.562 1.067 1.00 0.00 N ATOM 0 H LYS A 24 16.081 -13.070 -4.946 1.00 0.00 H new ATOM 0 HA LYS A 24 16.309 -15.875 -5.221 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.838 -15.895 -2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.978 -14.621 -3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.408 -12.913 -2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.037 -13.978 -3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.939 -13.990 -0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.210 -15.191 -0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.906 -13.308 -0.808 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.583 -12.198 -0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.609 -12.912 1.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 15.005 -13.465 1.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.286 -14.540 1.189 1.00 0.00 H new ATOM 364 N THR A 25 14.055 -16.893 -5.230 1.00 0.00 N ATOM 365 CA THR A 25 12.742 -17.492 -5.430 1.00 0.00 C ATOM 366 C THR A 25 12.101 -17.834 -4.090 1.00 0.00 C ATOM 367 O THR A 25 12.657 -17.527 -3.036 1.00 0.00 O ATOM 368 CB THR A 25 12.860 -18.742 -6.300 1.00 0.00 C ATOM 369 OG1 THR A 25 13.537 -19.776 -5.607 1.00 0.00 O ATOM 370 CG2 THR A 25 13.601 -18.492 -7.596 1.00 0.00 C ATOM 0 H THR A 25 14.830 -17.555 -5.274 1.00 0.00 H new ATOM 0 HA THR A 25 12.104 -16.770 -5.941 1.00 0.00 H new ATOM 0 HB THR A 25 11.836 -19.034 -6.533 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.600 -20.568 -6.181 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.652 -19.417 -8.170 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.075 -17.734 -8.176 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.611 -18.145 -7.377 1.00 0.00 H new ATOM 378 N ARG A 26 10.927 -18.459 -4.128 1.00 0.00 N ATOM 379 CA ARG A 26 10.223 -18.825 -2.905 1.00 0.00 C ATOM 380 C ARG A 26 11.044 -19.800 -2.062 1.00 0.00 C ATOM 381 O ARG A 26 10.934 -19.816 -0.836 1.00 0.00 O ATOM 382 CB ARG A 26 8.862 -19.442 -3.244 1.00 0.00 C ATOM 383 CG ARG A 26 7.958 -18.522 -4.052 1.00 0.00 C ATOM 384 CD ARG A 26 6.517 -19.005 -4.036 1.00 0.00 C ATOM 385 NE ARG A 26 6.248 -19.971 -5.100 1.00 0.00 N ATOM 386 CZ ARG A 26 5.035 -20.438 -5.387 1.00 0.00 C ATOM 387 NH1 ARG A 26 3.972 -19.995 -4.728 1.00 0.00 N ATOM 388 NH2 ARG A 26 4.881 -21.342 -6.346 1.00 0.00 N ATOM 0 H ARG A 26 10.446 -18.721 -4.989 1.00 0.00 H new ATOM 0 HA ARG A 26 10.071 -17.917 -2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.020 -20.364 -3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.355 -19.713 -2.318 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.009 -17.512 -3.646 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.315 -18.471 -5.081 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.299 -19.460 -3.070 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.848 -18.151 -4.145 1.00 0.00 H new ATOM 0 HE ARG A 26 7.036 -20.307 -5.655 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.082 -19.292 -3.997 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.045 -20.357 -4.953 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.692 -21.680 -6.864 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.951 -21.699 -6.565 1.00 0.00 H new ATOM 402 N ALA A 27 11.850 -20.626 -2.723 1.00 0.00 N ATOM 403 CA ALA A 27 12.667 -21.613 -2.025 1.00 0.00 C ATOM 404 C ALA A 27 13.982 -21.027 -1.510 1.00 0.00 C ATOM 405 O ALA A 27 14.867 -21.767 -1.084 1.00 0.00 O ATOM 406 CB ALA A 27 12.942 -22.801 -2.931 1.00 0.00 C ATOM 0 H ALA A 27 11.955 -20.632 -3.738 1.00 0.00 H new ATOM 0 HA ALA A 27 12.099 -21.941 -1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.552 -23.531 -2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.998 -23.262 -3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.473 -22.464 -3.822 1.00 0.00 H new ATOM 412 N GLN A 28 14.119 -19.704 -1.573 1.00 0.00 N ATOM 413 CA GLN A 28 15.341 -19.029 -1.135 1.00 0.00 C ATOM 414 C GLN A 28 16.527 -19.376 -2.031 1.00 0.00 C ATOM 415 O GLN A 28 17.658 -19.518 -1.567 1.00 0.00 O ATOM 416 CB GLN A 28 15.658 -19.378 0.321 1.00 0.00 C ATOM 417 CG GLN A 28 14.636 -18.837 1.307 1.00 0.00 C ATOM 418 CD GLN A 28 15.200 -18.677 2.705 1.00 0.00 C ATOM 419 OE1 GLN A 28 14.745 -19.327 3.647 1.00 0.00 O ATOM 420 NE2 GLN A 28 16.193 -17.808 2.847 1.00 0.00 N ATOM 0 H GLN A 28 13.397 -19.076 -1.924 1.00 0.00 H new ATOM 0 HA GLN A 28 15.167 -17.956 -1.211 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.713 -20.462 0.424 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.642 -18.984 0.576 1.00 0.00 H new ATOM 0 HG2 GLN A 28 14.272 -17.872 0.954 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.778 -19.509 1.340 1.00 0.00 H new ATOM 0 HE21 GLN A 28 16.538 -17.291 2.038 1.00 0.00 H new ATOM 0 HE22 GLN A 28 16.611 -17.657 3.765 1.00 0.00 H new ATOM 429 N GLN A 29 16.253 -19.455 -3.327 1.00 0.00 N ATOM 430 CA GLN A 29 17.277 -19.725 -4.328 1.00 0.00 C ATOM 431 C GLN A 29 17.370 -18.519 -5.253 1.00 0.00 C ATOM 432 O GLN A 29 16.347 -17.962 -5.641 1.00 0.00 O ATOM 433 CB GLN A 29 16.935 -20.981 -5.132 1.00 0.00 C ATOM 434 CG GLN A 29 17.091 -22.275 -4.347 1.00 0.00 C ATOM 435 CD GLN A 29 16.595 -23.485 -5.116 1.00 0.00 C ATOM 436 OE1 GLN A 29 15.441 -23.892 -4.981 1.00 0.00 O ATOM 437 NE2 GLN A 29 17.470 -24.070 -5.926 1.00 0.00 N ATOM 0 H GLN A 29 15.317 -19.334 -3.713 1.00 0.00 H new ATOM 0 HA GLN A 29 18.234 -19.898 -3.835 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.908 -20.905 -5.488 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.575 -21.022 -6.013 1.00 0.00 H new ATOM 0 HG2 GLN A 29 18.141 -22.417 -4.091 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.542 -22.195 -3.409 1.00 0.00 H new ATOM 0 HE21 GLN A 29 18.417 -23.699 -6.007 1.00 0.00 H new ATOM 0 HE22 GLN A 29 17.195 -24.890 -6.467 1.00 0.00 H new ATOM 446 N PHE A 30 18.580 -18.092 -5.588 1.00 0.00 N ATOM 447 CA PHE A 30 18.740 -16.924 -6.448 1.00 0.00 C ATOM 448 C PHE A 30 18.844 -17.318 -7.916 1.00 0.00 C ATOM 449 O PHE A 30 19.703 -18.109 -8.300 1.00 0.00 O ATOM 450 CB PHE A 30 19.982 -16.130 -6.038 1.00 0.00 C ATOM 451 CG PHE A 30 19.879 -15.524 -4.665 1.00 0.00 C ATOM 452 CD1 PHE A 30 19.970 -16.318 -3.533 1.00 0.00 C ATOM 453 CD2 PHE A 30 19.684 -14.160 -4.507 1.00 0.00 C ATOM 454 CE1 PHE A 30 19.871 -15.765 -2.270 1.00 0.00 C ATOM 455 CE2 PHE A 30 19.583 -13.601 -3.247 1.00 0.00 C ATOM 456 CZ PHE A 30 19.677 -14.405 -2.127 1.00 0.00 C ATOM 0 H PHE A 30 19.452 -18.526 -5.285 1.00 0.00 H new ATOM 0 HA PHE A 30 17.853 -16.302 -6.326 1.00 0.00 H new ATOM 0 HB2 PHE A 30 20.851 -16.787 -6.073 1.00 0.00 H new ATOM 0 HB3 PHE A 30 20.153 -15.336 -6.765 1.00 0.00 H new ATOM 0 HD1 PHE A 30 20.120 -17.382 -3.639 1.00 0.00 H new ATOM 0 HD2 PHE A 30 19.610 -13.527 -5.379 1.00 0.00 H new ATOM 0 HE1 PHE A 30 19.945 -16.395 -1.396 1.00 0.00 H new ATOM 0 HE2 PHE A 30 19.431 -12.537 -3.138 1.00 0.00 H new ATOM 0 HZ PHE A 30 19.599 -13.971 -1.141 1.00 0.00 H new ATOM 466 N VAL A 31 17.963 -16.748 -8.732 1.00 0.00 N ATOM 467 CA VAL A 31 17.950 -17.020 -10.162 1.00 0.00 C ATOM 468 C VAL A 31 17.952 -15.715 -10.950 1.00 0.00 C ATOM 469 O VAL A 31 17.440 -14.699 -10.483 1.00 0.00 O ATOM 470 CB VAL A 31 16.719 -17.849 -10.578 1.00 0.00 C ATOM 471 CG1 VAL A 31 16.870 -19.302 -10.156 1.00 0.00 C ATOM 472 CG2 VAL A 31 15.447 -17.246 -10.001 1.00 0.00 C ATOM 0 H VAL A 31 17.246 -16.092 -8.423 1.00 0.00 H new ATOM 0 HA VAL A 31 18.848 -17.596 -10.385 1.00 0.00 H new ATOM 0 HB VAL A 31 16.646 -17.824 -11.665 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.987 -19.863 -10.462 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.754 -19.729 -10.630 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.977 -19.357 -9.073 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.589 -17.846 -10.306 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.512 -17.232 -8.913 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.327 -16.227 -10.370 1.00 0.00 H new ATOM 482 N SER A 32 18.552 -15.739 -12.131 1.00 0.00 N ATOM 483 CA SER A 32 18.636 -14.543 -12.959 1.00 0.00 C ATOM 484 C SER A 32 17.282 -14.184 -13.568 1.00 0.00 C ATOM 485 O SER A 32 16.554 -15.046 -14.060 1.00 0.00 O ATOM 486 CB SER A 32 19.672 -14.739 -14.065 1.00 0.00 C ATOM 487 OG SER A 32 20.978 -14.460 -13.591 1.00 0.00 O ATOM 0 H SER A 32 18.986 -16.568 -12.537 1.00 0.00 H new ATOM 0 HA SER A 32 18.944 -13.717 -12.318 1.00 0.00 H new ATOM 0 HB2 SER A 32 19.626 -15.764 -14.434 1.00 0.00 H new ATOM 0 HB3 SER A 32 19.439 -14.086 -14.906 1.00 0.00 H new ATOM 0 HG SER A 32 21.110 -14.892 -12.721 1.00 0.00 H new ATOM 493 N THR A 33 16.966 -12.893 -13.535 1.00 0.00 N ATOM 494 CA THR A 33 15.714 -12.381 -14.080 1.00 0.00 C ATOM 495 C THR A 33 15.947 -11.034 -14.755 1.00 0.00 C ATOM 496 O THR A 33 16.956 -10.375 -14.503 1.00 0.00 O ATOM 497 CB THR A 33 14.665 -12.240 -12.976 1.00 0.00 C ATOM 498 OG1 THR A 33 13.515 -11.571 -13.462 1.00 0.00 O ATOM 499 CG2 THR A 33 15.166 -11.475 -11.770 1.00 0.00 C ATOM 0 H THR A 33 17.568 -12.175 -13.131 1.00 0.00 H new ATOM 0 HA THR A 33 15.345 -13.090 -14.821 1.00 0.00 H new ATOM 0 HB THR A 33 14.429 -13.259 -12.668 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.048 -12.147 -14.103 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.373 -11.411 -11.025 1.00 0.00 H new ATOM 0 HG22 THR A 33 16.025 -11.992 -11.343 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.461 -10.470 -12.073 1.00 0.00 H new ATOM 507 N LYS A 34 15.022 -10.625 -15.615 1.00 0.00 N ATOM 508 CA LYS A 34 15.169 -9.359 -16.315 1.00 0.00 C ATOM 509 C LYS A 34 13.847 -8.608 -16.421 1.00 0.00 C ATOM 510 O LYS A 34 12.770 -9.202 -16.410 1.00 0.00 O ATOM 511 CB LYS A 34 15.745 -9.592 -17.715 1.00 0.00 C ATOM 512 CG LYS A 34 16.962 -8.732 -18.019 1.00 0.00 C ATOM 513 CD LYS A 34 16.899 -8.150 -19.421 1.00 0.00 C ATOM 514 CE LYS A 34 17.067 -9.229 -20.479 1.00 0.00 C ATOM 515 NZ LYS A 34 18.468 -9.307 -20.976 1.00 0.00 N ATOM 0 H LYS A 34 14.174 -11.145 -15.841 1.00 0.00 H new ATOM 0 HA LYS A 34 15.856 -8.745 -15.733 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.017 -10.643 -17.817 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.972 -9.389 -18.456 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.028 -7.923 -17.291 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.867 -9.330 -17.913 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.944 -7.644 -19.564 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.679 -7.398 -19.539 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.775 -10.193 -20.063 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.397 -9.026 -21.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.540 -10.054 -21.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.739 -8.395 -21.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.106 -9.526 -20.184 1.00 0.00 H new ATOM 529 N ILE A 35 13.956 -7.289 -16.538 1.00 0.00 N ATOM 530 CA ILE A 35 12.799 -6.414 -16.658 1.00 0.00 C ATOM 531 C ILE A 35 13.079 -5.372 -17.734 1.00 0.00 C ATOM 532 O ILE A 35 14.111 -4.702 -17.697 1.00 0.00 O ATOM 533 CB ILE A 35 12.495 -5.723 -15.311 1.00 0.00 C ATOM 534 CG1 ILE A 35 11.230 -4.867 -15.403 1.00 0.00 C ATOM 535 CG2 ILE A 35 13.681 -4.883 -14.862 1.00 0.00 C ATOM 536 CD1 ILE A 35 10.030 -5.499 -14.733 1.00 0.00 C ATOM 0 H ILE A 35 14.850 -6.798 -16.552 1.00 0.00 H new ATOM 0 HA ILE A 35 11.927 -7.006 -16.935 1.00 0.00 H new ATOM 0 HB ILE A 35 12.320 -6.499 -14.566 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.423 -3.896 -14.947 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.998 -4.686 -16.452 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.448 -4.404 -13.911 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.555 -5.523 -14.742 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.891 -4.120 -15.611 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.168 -4.840 -14.835 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.813 -6.457 -15.205 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.244 -5.655 -13.676 1.00 0.00 H new ATOM 548 N ASN A 36 12.186 -5.254 -18.713 1.00 0.00 N ATOM 549 CA ASN A 36 12.383 -4.315 -19.814 1.00 0.00 C ATOM 550 C ASN A 36 11.829 -2.935 -19.481 1.00 0.00 C ATOM 551 O ASN A 36 10.621 -2.768 -19.315 1.00 0.00 O ATOM 552 CB ASN A 36 11.687 -4.854 -21.063 1.00 0.00 C ATOM 553 CG ASN A 36 12.229 -4.255 -22.344 1.00 0.00 C ATOM 554 OD1 ASN A 36 13.354 -4.545 -22.750 1.00 0.00 O ATOM 555 ND2 ASN A 36 11.426 -3.423 -22.991 1.00 0.00 N ATOM 0 H ASN A 36 11.322 -5.794 -18.767 1.00 0.00 H new ATOM 0 HA ASN A 36 13.454 -4.214 -19.988 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.801 -5.937 -21.098 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.619 -4.648 -20.995 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.733 -2.994 -23.864 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.501 -3.212 -22.616 1.00 0.00 H new ATOM 562 N LEU A 37 12.710 -1.944 -19.400 1.00 0.00 N ATOM 563 CA LEU A 37 12.289 -0.581 -19.101 1.00 0.00 C ATOM 564 C LEU A 37 11.899 0.170 -20.375 1.00 0.00 C ATOM 565 O LEU A 37 11.270 1.226 -20.308 1.00 0.00 O ATOM 566 CB LEU A 37 13.391 0.171 -18.347 1.00 0.00 C ATOM 567 CG LEU A 37 13.906 -0.540 -17.093 1.00 0.00 C ATOM 568 CD1 LEU A 37 14.989 -1.547 -17.452 1.00 0.00 C ATOM 569 CD2 LEU A 37 14.425 0.468 -16.078 1.00 0.00 C ATOM 0 H LEU A 37 13.714 -2.058 -19.536 1.00 0.00 H new ATOM 0 HA LEU A 37 11.408 -0.636 -18.462 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.229 0.336 -19.025 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.013 1.153 -18.062 1.00 0.00 H new ATOM 0 HG LEU A 37 13.074 -1.080 -16.642 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.341 -2.041 -16.546 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.581 -2.291 -18.136 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.821 -1.031 -17.931 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.786 -0.058 -15.194 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.241 1.040 -16.518 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.620 1.145 -15.793 1.00 0.00 H new ATOM 581 N ASP A 38 12.301 -0.355 -21.535 1.00 0.00 N ATOM 582 CA ASP A 38 12.001 0.299 -22.808 1.00 0.00 C ATOM 583 C ASP A 38 10.497 0.508 -22.987 1.00 0.00 C ATOM 584 O ASP A 38 10.056 1.584 -23.388 1.00 0.00 O ATOM 585 CB ASP A 38 12.534 -0.510 -24.004 1.00 0.00 C ATOM 586 CG ASP A 38 13.777 -1.330 -23.695 1.00 0.00 C ATOM 587 OD1 ASP A 38 13.812 -1.993 -22.638 1.00 0.00 O ATOM 588 OD2 ASP A 38 14.713 -1.315 -24.522 1.00 0.00 O ATOM 0 H ASP A 38 12.830 -1.223 -21.618 1.00 0.00 H new ATOM 0 HA ASP A 38 12.501 1.267 -22.781 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.748 -1.179 -24.355 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.758 0.175 -24.821 1.00 0.00 H new ATOM 593 N ASP A 39 9.703 -0.517 -22.686 1.00 0.00 N ATOM 594 CA ASP A 39 8.250 -0.411 -22.817 1.00 0.00 C ATOM 595 C ASP A 39 7.600 0.042 -21.514 1.00 0.00 C ATOM 596 O ASP A 39 6.415 0.368 -21.490 1.00 0.00 O ATOM 597 CB ASP A 39 7.618 -1.730 -23.270 1.00 0.00 C ATOM 598 CG ASP A 39 8.596 -2.646 -23.982 1.00 0.00 C ATOM 599 OD1 ASP A 39 9.239 -2.189 -24.949 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.716 -3.819 -23.572 1.00 0.00 O ATOM 0 H ASP A 39 10.036 -1.422 -22.353 1.00 0.00 H new ATOM 0 HA ASP A 39 8.067 0.342 -23.584 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.211 -2.248 -22.402 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.781 -1.515 -23.934 1.00 0.00 H new ATOM 605 N HIS A 40 8.368 0.063 -20.428 1.00 0.00 N ATOM 606 CA HIS A 40 7.840 0.483 -19.134 1.00 0.00 C ATOM 607 C HIS A 40 8.187 1.943 -18.887 1.00 0.00 C ATOM 608 O HIS A 40 7.307 2.801 -18.815 1.00 0.00 O ATOM 609 CB HIS A 40 8.409 -0.396 -18.016 1.00 0.00 C ATOM 610 CG HIS A 40 7.611 -1.641 -17.779 1.00 0.00 C ATOM 611 ND1 HIS A 40 6.247 -1.633 -17.574 1.00 0.00 N ATOM 612 CD2 HIS A 40 7.988 -2.943 -17.734 1.00 0.00 C ATOM 613 CE1 HIS A 40 5.820 -2.872 -17.414 1.00 0.00 C ATOM 614 NE2 HIS A 40 6.856 -3.685 -17.507 1.00 0.00 N ATOM 0 H HIS A 40 9.352 -0.204 -20.418 1.00 0.00 H new ATOM 0 HA HIS A 40 6.756 0.372 -19.140 1.00 0.00 H new ATOM 0 HB2 HIS A 40 9.434 -0.671 -18.265 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.450 0.183 -17.093 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.991 -3.324 -17.854 1.00 0.00 H new ATOM 0 HE1 HIS A 40 4.797 -3.170 -17.237 1.00 0.00 H new ATOM 0 HE2 HIS A 40 6.821 -4.701 -17.424 1.00 0.00 H new ATOM 623 N ILE A 41 9.481 2.220 -18.775 1.00 0.00 N ATOM 624 CA ILE A 41 9.950 3.577 -18.559 1.00 0.00 C ATOM 625 C ILE A 41 9.963 4.356 -19.869 1.00 0.00 C ATOM 626 O ILE A 41 10.179 3.789 -20.938 1.00 0.00 O ATOM 627 CB ILE A 41 11.363 3.601 -17.942 1.00 0.00 C ATOM 628 CG1 ILE A 41 11.440 2.656 -16.741 1.00 0.00 C ATOM 629 CG2 ILE A 41 11.742 5.017 -17.532 1.00 0.00 C ATOM 630 CD1 ILE A 41 10.428 2.967 -15.660 1.00 0.00 C ATOM 0 H ILE A 41 10.221 1.521 -18.831 1.00 0.00 H new ATOM 0 HA ILE A 41 9.258 4.046 -17.860 1.00 0.00 H new ATOM 0 HB ILE A 41 12.073 3.259 -18.695 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.290 1.632 -17.084 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.442 2.705 -16.314 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.742 5.015 -17.099 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.727 5.666 -18.408 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.028 5.386 -16.795 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.541 2.257 -14.841 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.591 3.979 -15.289 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.421 2.889 -16.071 1.00 0.00 H new ATOM 642 N ALA A 42 9.721 5.656 -19.773 1.00 0.00 N ATOM 643 CA ALA A 42 9.699 6.520 -20.954 1.00 0.00 C ATOM 644 C ALA A 42 10.360 7.867 -20.677 1.00 0.00 C ATOM 645 O ALA A 42 10.726 8.172 -19.542 1.00 0.00 O ATOM 646 CB ALA A 42 8.269 6.728 -21.420 1.00 0.00 C ATOM 0 H ALA A 42 9.537 6.138 -18.893 1.00 0.00 H new ATOM 0 HA ALA A 42 10.268 6.025 -21.740 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.263 7.372 -22.299 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.825 5.765 -21.673 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.691 7.196 -20.623 1.00 0.00 H new ATOM 652 N ASN A 43 10.535 8.656 -21.734 1.00 0.00 N ATOM 653 CA ASN A 43 11.175 9.965 -21.625 1.00 0.00 C ATOM 654 C ASN A 43 10.187 11.093 -21.911 1.00 0.00 C ATOM 655 O ASN A 43 9.749 11.272 -23.046 1.00 0.00 O ATOM 656 CB ASN A 43 12.347 10.038 -22.601 1.00 0.00 C ATOM 657 CG ASN A 43 13.047 11.381 -22.585 1.00 0.00 C ATOM 658 OD1 ASN A 43 13.715 11.734 -21.613 1.00 0.00 O ATOM 659 ND2 ASN A 43 12.895 12.134 -23.668 1.00 0.00 N ATOM 0 H ASN A 43 10.241 8.411 -22.680 1.00 0.00 H new ATOM 0 HA ASN A 43 11.535 10.089 -20.604 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.066 9.257 -22.356 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.986 9.834 -23.609 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.342 13.049 -23.720 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.331 11.797 -24.448 1.00 0.00 H new ATOM 666 N ILE A 44 9.852 11.859 -20.877 1.00 0.00 N ATOM 667 CA ILE A 44 8.929 12.980 -21.020 1.00 0.00 C ATOM 668 C ILE A 44 9.657 14.314 -20.837 1.00 0.00 C ATOM 669 O ILE A 44 9.748 14.836 -19.726 1.00 0.00 O ATOM 670 CB ILE A 44 7.762 12.879 -20.013 1.00 0.00 C ATOM 671 CG1 ILE A 44 6.911 11.645 -20.315 1.00 0.00 C ATOM 672 CG2 ILE A 44 6.903 14.138 -20.051 1.00 0.00 C ATOM 673 CD1 ILE A 44 7.626 10.337 -20.053 1.00 0.00 C ATOM 0 H ILE A 44 10.206 11.724 -19.930 1.00 0.00 H new ATOM 0 HA ILE A 44 8.520 12.936 -22.029 1.00 0.00 H new ATOM 0 HB ILE A 44 8.180 12.783 -19.011 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.005 11.682 -19.710 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.599 11.676 -21.359 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.088 14.044 -19.334 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.514 15.003 -19.794 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.492 14.268 -21.052 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.962 9.506 -20.289 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.517 10.278 -20.678 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.915 10.284 -19.003 1.00 0.00 H new ATOM 685 N ASP A 45 10.171 14.855 -21.940 1.00 0.00 N ATOM 686 CA ASP A 45 10.894 16.127 -21.915 1.00 0.00 C ATOM 687 C ASP A 45 12.217 15.992 -21.169 1.00 0.00 C ATOM 688 O ASP A 45 12.633 16.904 -20.452 1.00 0.00 O ATOM 689 CB ASP A 45 10.041 17.217 -21.261 1.00 0.00 C ATOM 690 CG ASP A 45 10.520 18.611 -21.617 1.00 0.00 C ATOM 691 OD1 ASP A 45 11.519 19.064 -21.020 1.00 0.00 O ATOM 692 OD2 ASP A 45 9.898 19.246 -22.494 1.00 0.00 O ATOM 0 H ASP A 45 10.100 14.431 -22.865 1.00 0.00 H new ATOM 0 HA ASP A 45 11.105 16.409 -22.947 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.003 17.100 -21.574 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.063 17.093 -20.178 1.00 0.00 H new ATOM 697 N GLY A 46 12.882 14.857 -21.350 1.00 0.00 N ATOM 698 CA GLY A 46 14.156 14.635 -20.695 1.00 0.00 C ATOM 699 C GLY A 46 14.017 14.100 -19.279 1.00 0.00 C ATOM 700 O GLY A 46 15.017 13.904 -18.589 1.00 0.00 O ATOM 0 H GLY A 46 12.562 14.088 -21.938 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.743 13.932 -21.286 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.712 15.572 -20.669 1.00 0.00 H new ATOM 704 N THR A 47 12.784 13.858 -18.838 1.00 0.00 N ATOM 705 CA THR A 47 12.546 13.344 -17.492 1.00 0.00 C ATOM 706 C THR A 47 12.022 11.913 -17.534 1.00 0.00 C ATOM 707 O THR A 47 11.173 11.574 -18.358 1.00 0.00 O ATOM 708 CB THR A 47 11.550 14.238 -16.754 1.00 0.00 C ATOM 709 OG1 THR A 47 11.805 15.604 -17.023 1.00 0.00 O ATOM 710 CG2 THR A 47 11.578 14.053 -15.253 1.00 0.00 C ATOM 0 H THR A 47 11.939 14.009 -19.390 1.00 0.00 H new ATOM 0 HA THR A 47 13.497 13.346 -16.959 1.00 0.00 H new ATOM 0 HB THR A 47 10.568 13.940 -17.123 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.156 16.159 -16.543 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.848 14.717 -14.791 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.334 13.019 -15.009 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.573 14.289 -14.876 1.00 0.00 H new ATOM 718 N LEU A 48 12.560 11.072 -16.659 1.00 0.00 N ATOM 719 CA LEU A 48 12.175 9.666 -16.621 1.00 0.00 C ATOM 720 C LEU A 48 10.828 9.477 -15.933 1.00 0.00 C ATOM 721 O LEU A 48 10.659 9.778 -14.751 1.00 0.00 O ATOM 722 CB LEU A 48 13.245 8.850 -15.893 1.00 0.00 C ATOM 723 CG LEU A 48 14.504 8.554 -16.710 1.00 0.00 C ATOM 724 CD1 LEU A 48 15.555 7.880 -15.842 1.00 0.00 C ATOM 725 CD2 LEU A 48 14.167 7.683 -17.909 1.00 0.00 C ATOM 0 H LEU A 48 13.262 11.338 -15.968 1.00 0.00 H new ATOM 0 HA LEU A 48 12.084 9.316 -17.649 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.535 9.385 -14.989 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.805 7.904 -15.576 1.00 0.00 H new ATOM 0 HG LEU A 48 14.910 9.498 -17.073 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.444 7.677 -16.439 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.817 8.537 -15.012 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.158 6.943 -15.451 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.074 7.482 -18.479 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.738 6.742 -17.566 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.447 8.200 -18.543 1.00 0.00 H new ATOM 737 N LYS A 49 9.873 8.969 -16.706 1.00 0.00 N ATOM 738 CA LYS A 49 8.524 8.722 -16.224 1.00 0.00 C ATOM 739 C LYS A 49 8.014 7.388 -16.754 1.00 0.00 C ATOM 740 O LYS A 49 8.570 6.837 -17.705 1.00 0.00 O ATOM 741 CB LYS A 49 7.589 9.854 -16.648 1.00 0.00 C ATOM 742 CG LYS A 49 8.194 11.238 -16.471 1.00 0.00 C ATOM 743 CD LYS A 49 7.133 12.268 -16.123 1.00 0.00 C ATOM 744 CE LYS A 49 7.705 13.386 -15.265 1.00 0.00 C ATOM 745 NZ LYS A 49 7.725 13.025 -13.821 1.00 0.00 N ATOM 0 H LYS A 49 10.016 8.718 -17.684 1.00 0.00 H new ATOM 0 HA LYS A 49 8.545 8.682 -15.135 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.316 9.717 -17.694 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.669 9.791 -16.067 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.947 11.209 -15.683 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.703 11.534 -17.388 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.716 12.687 -17.039 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.313 11.783 -15.593 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.718 13.615 -15.596 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.112 14.290 -15.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.122 13.814 -13.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.756 12.831 -13.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.312 12.177 -13.683 1.00 0.00 H new ATOM 759 N TRP A 50 6.962 6.868 -16.135 1.00 0.00 N ATOM 760 CA TRP A 50 6.392 5.588 -16.547 1.00 0.00 C ATOM 761 C TRP A 50 5.380 5.764 -17.679 1.00 0.00 C ATOM 762 O TRP A 50 4.373 6.455 -17.527 1.00 0.00 O ATOM 763 CB TRP A 50 5.739 4.896 -15.347 1.00 0.00 C ATOM 764 CG TRP A 50 6.752 4.264 -14.445 1.00 0.00 C ATOM 765 CD1 TRP A 50 7.447 3.113 -14.680 1.00 0.00 C ATOM 766 CD2 TRP A 50 7.204 4.756 -13.178 1.00 0.00 C ATOM 767 NE1 TRP A 50 8.312 2.866 -13.643 1.00 0.00 N ATOM 768 CE2 TRP A 50 8.179 3.858 -12.707 1.00 0.00 C ATOM 769 CE3 TRP A 50 6.884 5.870 -12.397 1.00 0.00 C ATOM 770 CZ2 TRP A 50 8.835 4.040 -11.494 1.00 0.00 C ATOM 771 CZ3 TRP A 50 7.537 6.048 -11.192 1.00 0.00 C ATOM 772 CH2 TRP A 50 8.503 5.137 -10.751 1.00 0.00 C ATOM 0 H TRP A 50 6.486 7.310 -15.348 1.00 0.00 H new ATOM 0 HA TRP A 50 7.201 4.962 -16.924 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.155 5.623 -14.783 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.044 4.135 -15.701 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.333 2.488 -15.554 1.00 0.00 H new ATOM 0 HE1 TRP A 50 8.950 2.073 -13.580 1.00 0.00 H new ATOM 0 HE3 TRP A 50 6.140 6.579 -12.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 9.581 3.338 -11.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 7.297 6.905 -10.580 1.00 0.00 H new ATOM 0 HH2 TRP A 50 8.996 5.304 -9.805 1.00 0.00 H new ATOM 783 N GLN A 51 5.662 5.128 -18.816 1.00 0.00 N ATOM 784 CA GLN A 51 4.785 5.205 -19.985 1.00 0.00 C ATOM 785 C GLN A 51 5.294 4.282 -21.094 1.00 0.00 C ATOM 786 O GLN A 51 6.503 4.129 -21.268 1.00 0.00 O ATOM 787 CB GLN A 51 4.709 6.650 -20.493 1.00 0.00 C ATOM 788 CG GLN A 51 3.868 6.821 -21.748 1.00 0.00 C ATOM 789 CD GLN A 51 4.098 8.161 -22.423 1.00 0.00 C ATOM 790 OE1 GLN A 51 4.672 9.075 -21.831 1.00 0.00 O ATOM 791 NE2 GLN A 51 3.648 8.285 -23.667 1.00 0.00 N ATOM 0 H GLN A 51 6.493 4.552 -18.953 1.00 0.00 H new ATOM 0 HA GLN A 51 3.786 4.881 -19.694 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.298 7.280 -19.704 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.719 7.007 -20.693 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.101 6.020 -22.449 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.813 6.723 -21.491 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.178 7.501 -24.120 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.773 9.164 -24.169 1.00 0.00 H new ATOM 800 N PRO A 52 4.382 3.638 -21.853 1.00 0.00 N ATOM 801 CA PRO A 52 4.767 2.718 -22.929 1.00 0.00 C ATOM 802 C PRO A 52 5.507 3.414 -24.068 1.00 0.00 C ATOM 803 O PRO A 52 4.981 3.580 -25.168 1.00 0.00 O ATOM 804 CB PRO A 52 3.440 2.130 -23.412 1.00 0.00 C ATOM 805 CG PRO A 52 2.397 3.102 -22.972 1.00 0.00 C ATOM 806 CD PRO A 52 2.916 3.738 -21.710 1.00 0.00 C ATOM 0 HA PRO A 52 5.466 1.961 -22.573 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.434 2.010 -24.495 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.266 1.144 -22.981 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.217 3.854 -23.741 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.448 2.598 -22.791 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.591 4.775 -21.620 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.562 3.215 -20.822 1.00 0.00 H new ATOM 814 N SER A 53 6.744 3.794 -23.784 1.00 0.00 N ATOM 815 CA SER A 53 7.616 4.453 -24.748 1.00 0.00 C ATOM 816 C SER A 53 9.050 4.369 -24.236 1.00 0.00 C ATOM 817 O SER A 53 9.297 4.591 -23.054 1.00 0.00 O ATOM 818 CB SER A 53 7.197 5.911 -24.952 1.00 0.00 C ATOM 819 OG SER A 53 6.850 6.520 -23.721 1.00 0.00 O ATOM 0 H SER A 53 7.175 3.653 -22.871 1.00 0.00 H new ATOM 0 HA SER A 53 7.540 3.955 -25.715 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.012 6.465 -25.418 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.349 5.957 -25.635 1.00 0.00 H new ATOM 0 HG SER A 53 6.883 7.495 -23.817 1.00 0.00 H new ATOM 825 N ASN A 54 9.985 4.001 -25.104 1.00 0.00 N ATOM 826 CA ASN A 54 11.381 3.844 -24.691 1.00 0.00 C ATOM 827 C ASN A 54 12.117 5.173 -24.614 1.00 0.00 C ATOM 828 O ASN A 54 12.424 5.791 -25.633 1.00 0.00 O ATOM 829 CB ASN A 54 12.134 2.907 -25.642 1.00 0.00 C ATOM 830 CG ASN A 54 11.294 1.741 -26.139 1.00 0.00 C ATOM 831 OD1 ASN A 54 10.102 1.643 -25.846 1.00 0.00 O ATOM 832 ND2 ASN A 54 11.915 0.848 -26.902 1.00 0.00 N ATOM 0 H ASN A 54 9.808 3.807 -26.090 1.00 0.00 H new ATOM 0 HA ASN A 54 11.356 3.410 -23.691 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.488 3.480 -26.499 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.016 2.518 -25.133 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.403 0.045 -27.268 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.904 0.965 -27.122 1.00 0.00 H new ATOM 839 N PHE A 55 12.425 5.585 -23.391 1.00 0.00 N ATOM 840 CA PHE A 55 13.157 6.821 -23.152 1.00 0.00 C ATOM 841 C PHE A 55 14.418 6.882 -24.023 1.00 0.00 C ATOM 842 O PHE A 55 14.863 7.958 -24.419 1.00 0.00 O ATOM 843 CB PHE A 55 13.529 6.932 -21.668 1.00 0.00 C ATOM 844 CG PHE A 55 14.342 5.775 -21.159 1.00 0.00 C ATOM 845 CD1 PHE A 55 15.667 5.627 -21.529 1.00 0.00 C ATOM 846 CD2 PHE A 55 13.777 4.832 -20.314 1.00 0.00 C ATOM 847 CE1 PHE A 55 16.415 4.561 -21.069 1.00 0.00 C ATOM 848 CE2 PHE A 55 14.520 3.764 -19.852 1.00 0.00 C ATOM 849 CZ PHE A 55 15.840 3.628 -20.230 1.00 0.00 C ATOM 0 H PHE A 55 12.176 5.076 -22.543 1.00 0.00 H new ATOM 0 HA PHE A 55 12.516 7.661 -23.420 1.00 0.00 H new ATOM 0 HB2 PHE A 55 14.089 7.854 -21.511 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.615 7.009 -21.079 1.00 0.00 H new ATOM 0 HD1 PHE A 55 16.122 6.354 -22.186 1.00 0.00 H new ATOM 0 HD2 PHE A 55 12.745 4.934 -20.014 1.00 0.00 H new ATOM 0 HE1 PHE A 55 17.448 4.458 -21.365 1.00 0.00 H new ATOM 0 HE2 PHE A 55 14.068 3.035 -19.195 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.422 2.793 -19.870 1.00 0.00 H new ATOM 859 N SER A 56 14.980 5.707 -24.316 1.00 0.00 N ATOM 860 CA SER A 56 16.199 5.590 -25.123 1.00 0.00 C ATOM 861 C SER A 56 16.144 6.411 -26.413 1.00 0.00 C ATOM 862 O SER A 56 17.182 6.699 -27.009 1.00 0.00 O ATOM 863 CB SER A 56 16.465 4.125 -25.472 1.00 0.00 C ATOM 864 OG SER A 56 15.377 3.561 -26.182 1.00 0.00 O ATOM 0 H SER A 56 14.605 4.812 -24.002 1.00 0.00 H new ATOM 0 HA SER A 56 17.010 5.989 -24.514 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.372 4.050 -26.072 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.640 3.557 -24.558 1.00 0.00 H new ATOM 0 HG SER A 56 15.575 2.625 -26.394 1.00 0.00 H new ATOM 870 N GLN A 57 14.945 6.779 -26.854 1.00 0.00 N ATOM 871 CA GLN A 57 14.802 7.547 -28.087 1.00 0.00 C ATOM 872 C GLN A 57 15.530 8.884 -27.988 1.00 0.00 C ATOM 873 O GLN A 57 15.959 9.440 -28.999 1.00 0.00 O ATOM 874 CB GLN A 57 13.324 7.775 -28.409 1.00 0.00 C ATOM 875 CG GLN A 57 12.616 6.537 -28.939 1.00 0.00 C ATOM 876 CD GLN A 57 12.811 6.341 -30.431 1.00 0.00 C ATOM 877 OE1 GLN A 57 13.939 6.234 -30.914 1.00 0.00 O ATOM 878 NE2 GLN A 57 11.708 6.285 -31.170 1.00 0.00 N ATOM 0 H GLN A 57 14.067 6.561 -26.382 1.00 0.00 H new ATOM 0 HA GLN A 57 15.254 6.970 -28.894 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.814 8.117 -27.509 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.241 8.574 -29.146 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.986 5.658 -28.410 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.550 6.613 -28.724 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.793 6.378 -30.729 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.776 6.149 -32.179 1.00 0.00 H new ATOM 887 N THR A 58 15.687 9.392 -26.769 1.00 0.00 N ATOM 888 CA THR A 58 16.385 10.658 -26.564 1.00 0.00 C ATOM 889 C THR A 58 17.423 10.551 -25.447 1.00 0.00 C ATOM 890 O THR A 58 18.087 11.533 -25.117 1.00 0.00 O ATOM 891 CB THR A 58 15.398 11.773 -26.211 1.00 0.00 C ATOM 892 OG1 THR A 58 15.053 11.715 -24.840 1.00 0.00 O ATOM 893 CG2 THR A 58 14.110 11.722 -27.004 1.00 0.00 C ATOM 0 H THR A 58 15.344 8.952 -25.915 1.00 0.00 H new ATOM 0 HA THR A 58 16.891 10.896 -27.500 1.00 0.00 H new ATOM 0 HB THR A 58 15.917 12.699 -26.458 1.00 0.00 H new ATOM 0 HG1 THR A 58 14.786 10.801 -24.608 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.462 12.543 -26.698 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.333 11.813 -28.067 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.606 10.773 -26.819 1.00 0.00 H new ATOM 901 N CYS A 59 17.547 9.371 -24.846 1.00 0.00 N ATOM 902 CA CYS A 59 18.490 9.180 -23.753 1.00 0.00 C ATOM 903 C CYS A 59 19.652 8.278 -24.155 1.00 0.00 C ATOM 904 O CYS A 59 19.506 7.385 -24.990 1.00 0.00 O ATOM 905 CB CYS A 59 17.772 8.589 -22.537 1.00 0.00 C ATOM 906 SG CYS A 59 16.140 9.327 -22.202 1.00 0.00 S ATOM 0 H CYS A 59 17.010 8.540 -25.096 1.00 0.00 H new ATOM 0 HA CYS A 59 18.900 10.158 -23.499 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.649 7.516 -22.687 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.404 8.717 -21.658 1.00 0.00 H new ATOM 911 N TYR A 60 20.814 8.542 -23.563 1.00 0.00 N ATOM 912 CA TYR A 60 22.026 7.777 -23.840 1.00 0.00 C ATOM 913 C TYR A 60 22.847 7.616 -22.564 1.00 0.00 C ATOM 914 O TYR A 60 22.691 8.388 -21.617 1.00 0.00 O ATOM 915 CB TYR A 60 22.865 8.461 -24.925 1.00 0.00 C ATOM 916 CG TYR A 60 23.381 9.828 -24.532 1.00 0.00 C ATOM 917 CD1 TYR A 60 22.506 10.875 -24.276 1.00 0.00 C ATOM 918 CD2 TYR A 60 24.744 10.071 -24.422 1.00 0.00 C ATOM 919 CE1 TYR A 60 22.974 12.126 -23.922 1.00 0.00 C ATOM 920 CE2 TYR A 60 25.221 11.319 -24.067 1.00 0.00 C ATOM 921 CZ TYR A 60 24.331 12.342 -23.819 1.00 0.00 C ATOM 922 OH TYR A 60 24.800 13.587 -23.465 1.00 0.00 O ATOM 0 H TYR A 60 20.942 9.289 -22.880 1.00 0.00 H new ATOM 0 HA TYR A 60 21.735 6.791 -24.203 1.00 0.00 H new ATOM 0 HB2 TYR A 60 23.712 7.821 -25.172 1.00 0.00 H new ATOM 0 HB3 TYR A 60 22.263 8.557 -25.829 1.00 0.00 H new ATOM 0 HD1 TYR A 60 21.442 10.709 -24.355 1.00 0.00 H new ATOM 0 HD2 TYR A 60 25.443 9.271 -24.617 1.00 0.00 H new ATOM 0 HE1 TYR A 60 22.280 12.930 -23.727 1.00 0.00 H new ATOM 0 HE2 TYR A 60 26.284 11.491 -23.985 1.00 0.00 H new ATOM 0 HH TYR A 60 24.213 14.276 -23.840 1.00 0.00 H new ATOM 932 N ASN A 61 23.704 6.599 -22.535 1.00 0.00 N ATOM 933 CA ASN A 61 24.539 6.329 -21.367 1.00 0.00 C ATOM 934 C ASN A 61 23.683 5.947 -20.163 1.00 0.00 C ATOM 935 O ASN A 61 23.893 6.442 -19.054 1.00 0.00 O ATOM 936 CB ASN A 61 25.401 7.551 -21.029 1.00 0.00 C ATOM 937 CG ASN A 61 26.392 7.889 -22.127 1.00 0.00 C ATOM 938 OD1 ASN A 61 26.708 7.055 -22.974 1.00 0.00 O ATOM 939 ND2 ASN A 61 26.887 9.121 -22.114 1.00 0.00 N ATOM 0 H ASN A 61 23.839 5.947 -23.308 1.00 0.00 H new ATOM 0 HA ASN A 61 25.193 5.491 -21.608 1.00 0.00 H new ATOM 0 HB2 ASN A 61 24.753 8.410 -20.852 1.00 0.00 H new ATOM 0 HB3 ASN A 61 25.942 7.364 -20.102 1.00 0.00 H new ATOM 0 HD21 ASN A 61 27.558 9.409 -22.826 1.00 0.00 H new ATOM 0 HD22 ASN A 61 26.596 9.780 -21.392 1.00 0.00 H new ATOM 946 N SER A 62 22.714 5.068 -20.391 1.00 0.00 N ATOM 947 CA SER A 62 21.831 4.622 -19.323 1.00 0.00 C ATOM 948 C SER A 62 22.585 3.751 -18.327 1.00 0.00 C ATOM 949 O SER A 62 23.365 2.880 -18.710 1.00 0.00 O ATOM 950 CB SER A 62 20.635 3.858 -19.894 1.00 0.00 C ATOM 951 OG SER A 62 19.792 4.716 -20.643 1.00 0.00 O ATOM 0 H SER A 62 22.521 4.652 -21.302 1.00 0.00 H new ATOM 0 HA SER A 62 21.462 5.505 -18.801 1.00 0.00 H new ATOM 0 HB2 SER A 62 20.988 3.045 -20.529 1.00 0.00 H new ATOM 0 HB3 SER A 62 20.068 3.404 -19.081 1.00 0.00 H new ATOM 0 HG SER A 62 19.480 4.249 -21.446 1.00 0.00 H new ATOM 957 N ALA A 63 22.343 3.995 -17.046 1.00 0.00 N ATOM 958 CA ALA A 63 22.995 3.239 -15.986 1.00 0.00 C ATOM 959 C ALA A 63 22.037 2.956 -14.839 1.00 0.00 C ATOM 960 O ALA A 63 21.117 3.730 -14.580 1.00 0.00 O ATOM 961 CB ALA A 63 24.212 3.993 -15.478 1.00 0.00 C ATOM 0 H ALA A 63 21.698 4.713 -16.715 1.00 0.00 H new ATOM 0 HA ALA A 63 23.314 2.283 -16.402 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.692 3.418 -14.686 1.00 0.00 H new ATOM 0 HB2 ALA A 63 24.916 4.140 -16.297 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.902 4.962 -15.087 1.00 0.00 H new ATOM 967 N ILE A 64 22.259 1.844 -14.150 1.00 0.00 N ATOM 968 CA ILE A 64 21.410 1.471 -13.032 1.00 0.00 C ATOM 969 C ILE A 64 22.229 1.145 -11.789 1.00 0.00 C ATOM 970 O ILE A 64 23.265 0.485 -11.861 1.00 0.00 O ATOM 971 CB ILE A 64 20.500 0.282 -13.392 1.00 0.00 C ATOM 972 CG1 ILE A 64 19.464 0.744 -14.418 1.00 0.00 C ATOM 973 CG2 ILE A 64 19.811 -0.272 -12.149 1.00 0.00 C ATOM 974 CD1 ILE A 64 18.449 -0.310 -14.774 1.00 0.00 C ATOM 0 H ILE A 64 23.016 1.189 -14.346 1.00 0.00 H new ATOM 0 HA ILE A 64 20.782 2.334 -12.810 1.00 0.00 H new ATOM 0 HB ILE A 64 21.106 -0.518 -13.817 1.00 0.00 H new ATOM 0 HG12 ILE A 64 18.944 1.618 -14.027 1.00 0.00 H new ATOM 0 HG13 ILE A 64 19.980 1.059 -15.325 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.174 -1.111 -12.429 1.00 0.00 H new ATOM 0 HG22 ILE A 64 20.563 -0.610 -11.436 1.00 0.00 H new ATOM 0 HG23 ILE A 64 19.203 0.508 -11.692 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.749 0.092 -15.506 1.00 0.00 H new ATOM 0 HD12 ILE A 64 18.957 -1.177 -15.196 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.905 -0.609 -13.878 1.00 0.00 H new ATOM 986 N GLN A 65 21.733 1.605 -10.648 1.00 0.00 N ATOM 987 CA GLN A 65 22.381 1.370 -9.365 1.00 0.00 C ATOM 988 C GLN A 65 21.332 0.984 -8.333 1.00 0.00 C ATOM 989 O GLN A 65 20.500 1.804 -7.944 1.00 0.00 O ATOM 990 CB GLN A 65 23.128 2.621 -8.906 1.00 0.00 C ATOM 991 CG GLN A 65 24.034 3.214 -9.973 1.00 0.00 C ATOM 992 CD GLN A 65 25.314 2.424 -10.157 1.00 0.00 C ATOM 993 OE1 GLN A 65 25.312 1.193 -10.114 1.00 0.00 O ATOM 994 NE2 GLN A 65 26.420 3.130 -10.366 1.00 0.00 N ATOM 0 H GLN A 65 20.873 2.150 -10.586 1.00 0.00 H new ATOM 0 HA GLN A 65 23.101 0.559 -9.474 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.403 3.374 -8.597 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.726 2.375 -8.029 1.00 0.00 H new ATOM 0 HG2 GLN A 65 23.496 3.253 -10.920 1.00 0.00 H new ATOM 0 HG3 GLN A 65 24.281 4.241 -9.705 1.00 0.00 H new ATOM 0 HE21 GLN A 65 26.377 4.149 -10.394 1.00 0.00 H new ATOM 0 HE22 GLN A 65 27.312 2.653 -10.498 1.00 0.00 H new ATOM 1003 N GLY A 66 21.355 -0.276 -7.913 1.00 0.00 N ATOM 1004 CA GLY A 66 20.377 -0.747 -6.953 1.00 0.00 C ATOM 1005 C GLY A 66 18.990 -0.780 -7.563 1.00 0.00 C ATOM 1006 O GLY A 66 18.763 -1.478 -8.553 1.00 0.00 O ATOM 0 H GLY A 66 22.031 -0.976 -8.219 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.651 -1.744 -6.609 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.378 -0.097 -6.078 1.00 0.00 H new ATOM 1010 N SER A 67 18.053 -0.048 -6.971 1.00 0.00 N ATOM 1011 CA SER A 67 16.685 -0.028 -7.475 1.00 0.00 C ATOM 1012 C SER A 67 16.377 1.232 -8.285 1.00 0.00 C ATOM 1013 O SER A 67 15.301 1.341 -8.874 1.00 0.00 O ATOM 1014 CB SER A 67 15.698 -0.148 -6.314 1.00 0.00 C ATOM 1015 OG SER A 67 15.555 1.089 -5.637 1.00 0.00 O ATOM 0 H SER A 67 18.213 0.534 -6.149 1.00 0.00 H new ATOM 0 HA SER A 67 16.579 -0.881 -8.146 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.728 -0.475 -6.689 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.044 -0.911 -5.616 1.00 0.00 H new ATOM 0 HG SER A 67 14.804 1.587 -6.021 1.00 0.00 H new ATOM 1021 N VAL A 68 17.314 2.177 -8.331 1.00 0.00 N ATOM 1022 CA VAL A 68 17.104 3.412 -9.089 1.00 0.00 C ATOM 1023 C VAL A 68 17.819 3.377 -10.439 1.00 0.00 C ATOM 1024 O VAL A 68 18.933 2.866 -10.555 1.00 0.00 O ATOM 1025 CB VAL A 68 17.573 4.655 -8.306 1.00 0.00 C ATOM 1026 CG1 VAL A 68 17.043 5.924 -8.958 1.00 0.00 C ATOM 1027 CG2 VAL A 68 17.128 4.576 -6.852 1.00 0.00 C ATOM 0 H VAL A 68 18.216 2.115 -7.859 1.00 0.00 H new ATOM 0 HA VAL A 68 16.029 3.483 -9.256 1.00 0.00 H new ATOM 0 HB VAL A 68 18.662 4.683 -8.328 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.383 6.792 -8.393 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.413 5.989 -9.981 1.00 0.00 H new ATOM 0 HG13 VAL A 68 15.953 5.901 -8.967 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.470 5.463 -6.318 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.040 4.522 -6.807 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.555 3.687 -6.389 1.00 0.00 H new ATOM 1037 N LEU A 69 17.164 3.922 -11.459 1.00 0.00 N ATOM 1038 CA LEU A 69 17.721 3.961 -12.805 1.00 0.00 C ATOM 1039 C LEU A 69 18.230 5.364 -13.135 1.00 0.00 C ATOM 1040 O LEU A 69 17.498 6.348 -13.003 1.00 0.00 O ATOM 1041 CB LEU A 69 16.654 3.517 -13.817 1.00 0.00 C ATOM 1042 CG LEU A 69 16.884 3.941 -15.273 1.00 0.00 C ATOM 1043 CD1 LEU A 69 18.284 3.566 -15.733 1.00 0.00 C ATOM 1044 CD2 LEU A 69 15.835 3.310 -16.181 1.00 0.00 C ATOM 0 H LEU A 69 16.240 4.346 -11.377 1.00 0.00 H new ATOM 0 HA LEU A 69 18.567 3.276 -12.861 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.582 2.430 -13.784 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.690 3.910 -13.494 1.00 0.00 H new ATOM 0 HG LEU A 69 16.789 5.025 -15.332 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.422 3.877 -16.768 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.020 4.065 -15.103 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.415 2.486 -15.658 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.011 3.620 -17.211 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.900 2.224 -16.113 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.842 3.634 -15.870 1.00 0.00 H new ATOM 1056 N THR A 70 19.490 5.455 -13.558 1.00 0.00 N ATOM 1057 CA THR A 70 20.091 6.737 -13.903 1.00 0.00 C ATOM 1058 C THR A 70 20.450 6.772 -15.384 1.00 0.00 C ATOM 1059 O THR A 70 21.143 5.889 -15.883 1.00 0.00 O ATOM 1060 CB THR A 70 21.345 6.976 -13.059 1.00 0.00 C ATOM 1061 OG1 THR A 70 21.134 6.563 -11.721 1.00 0.00 O ATOM 1062 CG2 THR A 70 21.778 8.426 -13.028 1.00 0.00 C ATOM 0 H THR A 70 20.112 4.655 -13.669 1.00 0.00 H new ATOM 0 HA THR A 70 19.368 7.526 -13.697 1.00 0.00 H new ATOM 0 HB THR A 70 22.130 6.389 -13.535 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.947 6.722 -11.197 1.00 0.00 H new ATOM 0 HG21 THR A 70 22.672 8.526 -12.413 1.00 0.00 H new ATOM 0 HG22 THR A 70 21.996 8.762 -14.042 1.00 0.00 H new ATOM 0 HG23 THR A 70 20.978 9.036 -12.607 1.00 0.00 H new ATOM 1070 N SER A 71 19.966 7.784 -16.091 1.00 0.00 N ATOM 1071 CA SER A 71 20.237 7.904 -17.521 1.00 0.00 C ATOM 1072 C SER A 71 20.220 9.360 -17.968 1.00 0.00 C ATOM 1073 O SER A 71 19.546 10.194 -17.363 1.00 0.00 O ATOM 1074 CB SER A 71 19.222 7.092 -18.327 1.00 0.00 C ATOM 1075 OG SER A 71 19.214 7.488 -19.688 1.00 0.00 O ATOM 0 H SER A 71 19.388 8.530 -15.704 1.00 0.00 H new ATOM 0 HA SER A 71 21.235 7.506 -17.705 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.462 6.031 -18.256 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.227 7.223 -17.901 1.00 0.00 H new ATOM 0 HG SER A 71 19.377 6.707 -20.257 1.00 0.00 H new ATOM 1081 N THR A 72 20.946 9.657 -19.043 1.00 0.00 N ATOM 1082 CA THR A 72 20.988 11.009 -19.586 1.00 0.00 C ATOM 1083 C THR A 72 19.942 11.139 -20.690 1.00 0.00 C ATOM 1084 O THR A 72 19.916 10.334 -21.619 1.00 0.00 O ATOM 1085 CB THR A 72 22.383 11.313 -20.138 1.00 0.00 C ATOM 1086 OG1 THR A 72 23.383 10.825 -19.260 1.00 0.00 O ATOM 1087 CG2 THR A 72 22.639 12.790 -20.350 1.00 0.00 C ATOM 0 H THR A 72 21.512 8.979 -19.554 1.00 0.00 H new ATOM 0 HA THR A 72 20.769 11.725 -18.794 1.00 0.00 H new ATOM 0 HB THR A 72 22.425 10.814 -21.106 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.268 11.026 -19.629 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.646 12.932 -20.742 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.913 13.187 -21.060 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.542 13.316 -19.400 1.00 0.00 H new ATOM 1095 N CYS A 73 19.064 12.133 -20.581 1.00 0.00 N ATOM 1096 CA CYS A 73 18.009 12.309 -21.574 1.00 0.00 C ATOM 1097 C CYS A 73 18.012 13.700 -22.197 1.00 0.00 C ATOM 1098 O CYS A 73 18.234 14.704 -21.519 1.00 0.00 O ATOM 1099 CB CYS A 73 16.643 12.033 -20.943 1.00 0.00 C ATOM 1100 SG CYS A 73 16.395 10.300 -20.440 1.00 0.00 S ATOM 0 H CYS A 73 19.061 12.819 -19.827 1.00 0.00 H new ATOM 0 HA CYS A 73 18.205 11.594 -22.373 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.521 12.675 -20.070 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.864 12.309 -21.653 1.00 0.00 H new ATOM 1105 N GLU A 74 17.710 13.743 -23.493 1.00 0.00 N ATOM 1106 CA GLU A 74 17.636 14.999 -24.231 1.00 0.00 C ATOM 1107 C GLU A 74 16.379 15.777 -23.846 1.00 0.00 C ATOM 1108 O GLU A 74 15.298 15.200 -23.723 1.00 0.00 O ATOM 1109 CB GLU A 74 17.649 14.731 -25.739 1.00 0.00 C ATOM 1110 CG GLU A 74 18.139 15.910 -26.566 1.00 0.00 C ATOM 1111 CD GLU A 74 17.520 15.951 -27.951 1.00 0.00 C ATOM 1112 OE1 GLU A 74 17.755 15.007 -28.735 1.00 0.00 O ATOM 1113 OE2 GLU A 74 16.799 16.926 -28.251 1.00 0.00 O ATOM 0 H GLU A 74 17.512 12.916 -24.056 1.00 0.00 H new ATOM 0 HA GLU A 74 18.508 15.600 -23.972 1.00 0.00 H new ATOM 0 HB2 GLU A 74 18.284 13.869 -25.940 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.642 14.467 -26.061 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.908 16.837 -26.042 1.00 0.00 H new ATOM 0 HG3 GLU A 74 19.224 15.858 -26.659 1.00 0.00 H new ATOM 1120 N ARG A 75 16.523 17.082 -23.659 1.00 0.00 N ATOM 1121 CA ARG A 75 15.395 17.929 -23.292 1.00 0.00 C ATOM 1122 C ARG A 75 14.736 18.515 -24.536 1.00 0.00 C ATOM 1123 O ARG A 75 15.417 18.859 -25.502 1.00 0.00 O ATOM 1124 CB ARG A 75 15.864 19.054 -22.371 1.00 0.00 C ATOM 1125 CG ARG A 75 16.669 18.567 -21.178 1.00 0.00 C ATOM 1126 CD ARG A 75 16.840 19.662 -20.139 1.00 0.00 C ATOM 1127 NE ARG A 75 15.595 19.945 -19.430 1.00 0.00 N ATOM 1128 CZ ARG A 75 15.356 21.078 -18.775 1.00 0.00 C ATOM 1129 NH1 ARG A 75 16.279 22.031 -18.726 1.00 0.00 N ATOM 1130 NH2 ARG A 75 14.191 21.258 -18.167 1.00 0.00 N ATOM 0 H ARG A 75 17.409 17.578 -23.755 1.00 0.00 H new ATOM 0 HA ARG A 75 14.661 17.318 -22.766 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.470 19.754 -22.946 1.00 0.00 H new ATOM 0 HB3 ARG A 75 14.995 19.605 -22.012 1.00 0.00 H new ATOM 0 HG2 ARG A 75 16.170 17.710 -20.726 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.648 18.226 -21.513 1.00 0.00 H new ATOM 0 HD2 ARG A 75 17.605 19.365 -19.422 1.00 0.00 H new ATOM 0 HD3 ARG A 75 17.194 20.571 -20.625 1.00 0.00 H new ATOM 0 HE ARG A 75 14.866 19.232 -19.437 1.00 0.00 H new ATOM 0 HH11 ARG A 75 17.176 21.896 -19.192 1.00 0.00 H new ATOM 0 HH12 ARG A 75 16.091 22.898 -18.222 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.479 20.528 -18.202 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.007 22.126 -17.665 1.00 0.00 H new ATOM 1144 N THR A 76 13.409 18.619 -24.514 1.00 0.00 N ATOM 1145 CA THR A 76 12.663 19.155 -25.651 1.00 0.00 C ATOM 1146 C THR A 76 13.214 20.509 -26.093 1.00 0.00 C ATOM 1147 O THR A 76 13.123 20.870 -27.267 1.00 0.00 O ATOM 1148 CB THR A 76 11.182 19.293 -25.298 1.00 0.00 C ATOM 1149 OG1 THR A 76 10.731 18.166 -24.569 1.00 0.00 O ATOM 1150 CG2 THR A 76 10.290 19.444 -26.512 1.00 0.00 C ATOM 0 H THR A 76 12.829 18.340 -23.723 1.00 0.00 H new ATOM 0 HA THR A 76 12.775 18.454 -26.478 1.00 0.00 H new ATOM 0 HB THR A 76 11.111 20.201 -24.700 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.955 18.417 -24.025 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.252 19.537 -26.192 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.580 20.336 -27.068 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.395 18.568 -27.152 1.00 0.00 H new ATOM 1158 N ASN A 77 13.781 21.258 -25.153 1.00 0.00 N ATOM 1159 CA ASN A 77 14.340 22.570 -25.467 1.00 0.00 C ATOM 1160 C ASN A 77 15.753 22.453 -26.043 1.00 0.00 C ATOM 1161 O ASN A 77 16.389 23.461 -26.353 1.00 0.00 O ATOM 1162 CB ASN A 77 14.355 23.456 -24.221 1.00 0.00 C ATOM 1163 CG ASN A 77 12.999 23.532 -23.547 1.00 0.00 C ATOM 1164 OD1 ASN A 77 12.604 22.625 -22.814 1.00 0.00 O ATOM 1165 ND2 ASN A 77 12.278 24.621 -23.789 1.00 0.00 N ATOM 0 H ASN A 77 13.866 20.983 -24.175 1.00 0.00 H new ATOM 0 HA ASN A 77 13.703 23.028 -26.224 1.00 0.00 H new ATOM 0 HB2 ASN A 77 15.088 23.069 -23.513 1.00 0.00 H new ATOM 0 HB3 ASN A 77 14.677 24.460 -24.497 1.00 0.00 H new ATOM 0 HD21 ASN A 77 11.359 24.730 -23.361 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.644 25.349 -24.403 1.00 0.00 H new ATOM 1172 N GLY A 78 16.236 21.223 -26.193 1.00 0.00 N ATOM 1173 CA GLY A 78 17.563 21.005 -26.738 1.00 0.00 C ATOM 1174 C GLY A 78 18.626 20.890 -25.673 1.00 0.00 C ATOM 1175 O GLY A 78 18.644 21.649 -24.703 1.00 0.00 O ATOM 0 H GLY A 78 15.730 20.372 -25.946 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.558 20.095 -27.339 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.815 21.828 -27.407 1.00 0.00 H new ATOM 1179 N GLY A 79 19.492 19.913 -25.852 1.00 0.00 N ATOM 1180 CA GLY A 79 20.551 19.660 -24.898 1.00 0.00 C ATOM 1181 C GLY A 79 20.389 18.301 -24.252 1.00 0.00 C ATOM 1182 O GLY A 79 19.570 17.504 -24.703 1.00 0.00 O ATOM 0 H GLY A 79 19.482 19.280 -26.652 1.00 0.00 H new ATOM 0 HA2 GLY A 79 21.517 19.715 -25.399 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.546 20.434 -24.130 1.00 0.00 H new ATOM 1186 N TYR A 80 21.169 18.023 -23.211 1.00 0.00 N ATOM 1187 CA TYR A 80 21.085 16.734 -22.524 1.00 0.00 C ATOM 1188 C TYR A 80 20.990 16.921 -21.013 1.00 0.00 C ATOM 1189 O TYR A 80 21.613 17.820 -20.446 1.00 0.00 O ATOM 1190 CB TYR A 80 22.297 15.867 -22.867 1.00 0.00 C ATOM 1191 CG TYR A 80 22.633 15.861 -24.340 1.00 0.00 C ATOM 1192 CD1 TYR A 80 21.745 15.338 -25.270 1.00 0.00 C ATOM 1193 CD2 TYR A 80 23.830 16.391 -24.801 1.00 0.00 C ATOM 1194 CE1 TYR A 80 22.041 15.343 -26.619 1.00 0.00 C ATOM 1195 CE2 TYR A 80 24.134 16.398 -26.148 1.00 0.00 C ATOM 1196 CZ TYR A 80 23.236 15.874 -27.052 1.00 0.00 C ATOM 1197 OH TYR A 80 23.531 15.884 -28.395 1.00 0.00 O ATOM 0 H TYR A 80 21.861 18.666 -22.826 1.00 0.00 H new ATOM 0 HA TYR A 80 20.179 16.232 -22.865 1.00 0.00 H new ATOM 0 HB2 TYR A 80 23.161 16.225 -22.306 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.107 14.844 -22.541 1.00 0.00 H new ATOM 0 HD1 TYR A 80 20.808 14.920 -24.933 1.00 0.00 H new ATOM 0 HD2 TYR A 80 24.535 16.805 -24.095 1.00 0.00 H new ATOM 0 HE1 TYR A 80 21.339 14.933 -27.330 1.00 0.00 H new ATOM 0 HE2 TYR A 80 25.071 16.812 -26.491 1.00 0.00 H new ATOM 0 HH TYR A 80 24.410 16.294 -28.534 1.00 0.00 H new ATOM 1207 N ASN A 81 20.194 16.070 -20.369 1.00 0.00 N ATOM 1208 CA ASN A 81 20.000 16.132 -18.925 1.00 0.00 C ATOM 1209 C ASN A 81 19.617 14.754 -18.389 1.00 0.00 C ATOM 1210 O ASN A 81 18.703 14.110 -18.901 1.00 0.00 O ATOM 1211 CB ASN A 81 18.916 17.155 -18.580 1.00 0.00 C ATOM 1212 CG ASN A 81 19.000 17.625 -17.141 1.00 0.00 C ATOM 1213 OD1 ASN A 81 18.239 17.179 -16.283 1.00 0.00 O ATOM 1214 ND2 ASN A 81 19.931 18.535 -16.869 1.00 0.00 N ATOM 0 H ASN A 81 19.671 15.325 -20.829 1.00 0.00 H new ATOM 0 HA ASN A 81 20.934 16.444 -18.457 1.00 0.00 H new ATOM 0 HB2 ASN A 81 19.006 18.014 -19.245 1.00 0.00 H new ATOM 0 HB3 ASN A 81 17.935 16.715 -18.759 1.00 0.00 H new ATOM 0 HD21 ASN A 81 20.035 18.890 -15.918 1.00 0.00 H new ATOM 0 HD22 ASN A 81 20.541 18.878 -17.611 1.00 0.00 H new ATOM 1221 N THR A 82 20.339 14.302 -17.372 1.00 0.00 N ATOM 1222 CA THR A 82 20.099 12.992 -16.772 1.00 0.00 C ATOM 1223 C THR A 82 19.140 13.081 -15.589 1.00 0.00 C ATOM 1224 O THR A 82 19.269 13.962 -14.739 1.00 0.00 O ATOM 1225 CB THR A 82 21.420 12.352 -16.343 1.00 0.00 C ATOM 1226 OG1 THR A 82 21.189 11.118 -15.687 1.00 0.00 O ATOM 1227 CG2 THR A 82 22.233 13.224 -15.412 1.00 0.00 C ATOM 0 H THR A 82 21.101 14.826 -16.942 1.00 0.00 H new ATOM 0 HA THR A 82 19.631 12.363 -17.529 1.00 0.00 H new ATOM 0 HB THR A 82 21.985 12.209 -17.264 1.00 0.00 H new ATOM 0 HG1 THR A 82 20.336 10.741 -15.989 1.00 0.00 H new ATOM 0 HG21 THR A 82 23.157 12.710 -15.147 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.471 14.164 -15.909 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.658 13.426 -14.508 1.00 0.00 H new ATOM 1235 N SER A 83 18.176 12.162 -15.540 1.00 0.00 N ATOM 1236 CA SER A 83 17.190 12.126 -14.466 1.00 0.00 C ATOM 1237 C SER A 83 17.244 10.781 -13.738 1.00 0.00 C ATOM 1238 O SER A 83 17.729 9.786 -14.286 1.00 0.00 O ATOM 1239 CB SER A 83 15.786 12.357 -15.032 1.00 0.00 C ATOM 1240 OG SER A 83 15.480 11.402 -16.033 1.00 0.00 O ATOM 0 H SER A 83 18.059 11.428 -16.239 1.00 0.00 H new ATOM 0 HA SER A 83 17.422 12.919 -13.755 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.051 12.296 -14.229 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.719 13.362 -15.450 1.00 0.00 H new ATOM 0 HG SER A 83 15.143 11.861 -16.831 1.00 0.00 H new ATOM 1246 N SER A 84 16.750 10.754 -12.504 1.00 0.00 N ATOM 1247 CA SER A 84 16.747 9.531 -11.713 1.00 0.00 C ATOM 1248 C SER A 84 15.331 9.170 -11.270 1.00 0.00 C ATOM 1249 O SER A 84 14.518 10.049 -10.983 1.00 0.00 O ATOM 1250 CB SER A 84 17.654 9.684 -10.492 1.00 0.00 C ATOM 1251 OG SER A 84 19.016 9.547 -10.851 1.00 0.00 O ATOM 0 H SER A 84 16.348 11.564 -12.032 1.00 0.00 H new ATOM 0 HA SER A 84 17.128 8.724 -12.339 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.491 10.660 -10.034 1.00 0.00 H new ATOM 0 HB3 SER A 84 17.394 8.934 -9.745 1.00 0.00 H new ATOM 0 HG SER A 84 19.576 9.650 -10.054 1.00 0.00 H new ATOM 1257 N ILE A 85 15.046 7.870 -11.214 1.00 0.00 N ATOM 1258 CA ILE A 85 13.726 7.392 -10.809 1.00 0.00 C ATOM 1259 C ILE A 85 13.813 6.086 -10.013 1.00 0.00 C ATOM 1260 O ILE A 85 14.632 5.218 -10.315 1.00 0.00 O ATOM 1261 CB ILE A 85 12.820 7.182 -12.037 1.00 0.00 C ATOM 1262 CG1 ILE A 85 11.402 6.822 -11.594 1.00 0.00 C ATOM 1263 CG2 ILE A 85 13.393 6.105 -12.949 1.00 0.00 C ATOM 1264 CD1 ILE A 85 10.445 6.610 -12.746 1.00 0.00 C ATOM 0 H ILE A 85 15.710 7.131 -11.444 1.00 0.00 H new ATOM 0 HA ILE A 85 13.295 8.159 -10.166 1.00 0.00 H new ATOM 0 HB ILE A 85 12.778 8.114 -12.601 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.438 5.915 -10.990 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.017 7.616 -10.954 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.739 5.972 -13.810 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.384 6.406 -13.289 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.467 5.166 -12.401 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.458 6.358 -12.358 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.380 7.523 -13.337 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.807 5.796 -13.374 1.00 0.00 H new ATOM 1276 N ASP A 86 12.946 5.953 -9.005 1.00 0.00 N ATOM 1277 CA ASP A 86 12.905 4.755 -8.161 1.00 0.00 C ATOM 1278 C ASP A 86 11.850 3.768 -8.664 1.00 0.00 C ATOM 1279 O ASP A 86 10.657 4.068 -8.654 1.00 0.00 O ATOM 1280 CB ASP A 86 12.594 5.143 -6.713 1.00 0.00 C ATOM 1281 CG ASP A 86 12.790 3.989 -5.749 1.00 0.00 C ATOM 1282 OD1 ASP A 86 13.761 3.224 -5.928 1.00 0.00 O ATOM 1283 OD2 ASP A 86 11.972 3.850 -4.815 1.00 0.00 O ATOM 0 H ASP A 86 12.260 6.664 -8.753 1.00 0.00 H new ATOM 0 HA ASP A 86 13.882 4.274 -8.208 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.235 5.973 -6.417 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.565 5.496 -6.648 1.00 0.00 H new ATOM 1288 N LEU A 87 12.296 2.594 -9.108 1.00 0.00 N ATOM 1289 CA LEU A 87 11.380 1.573 -9.628 1.00 0.00 C ATOM 1290 C LEU A 87 11.011 0.519 -8.582 1.00 0.00 C ATOM 1291 O LEU A 87 10.196 -0.361 -8.854 1.00 0.00 O ATOM 1292 CB LEU A 87 11.977 0.896 -10.860 1.00 0.00 C ATOM 1293 CG LEU A 87 12.618 1.850 -11.869 1.00 0.00 C ATOM 1294 CD1 LEU A 87 13.402 1.075 -12.915 1.00 0.00 C ATOM 1295 CD2 LEU A 87 11.555 2.717 -12.529 1.00 0.00 C ATOM 0 H LEU A 87 13.280 2.325 -9.119 1.00 0.00 H new ATOM 0 HA LEU A 87 10.461 2.091 -9.903 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.728 0.177 -10.534 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.192 0.331 -11.363 1.00 0.00 H new ATOM 0 HG LEU A 87 13.312 2.501 -11.336 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.850 1.771 -13.624 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.187 0.498 -12.427 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.731 0.399 -13.446 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.027 3.390 -13.244 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.838 2.081 -13.048 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.038 3.301 -11.768 1.00 0.00 H new ATOM 1307 N ASN A 88 11.623 0.579 -7.401 1.00 0.00 N ATOM 1308 CA ASN A 88 11.360 -0.407 -6.348 1.00 0.00 C ATOM 1309 C ASN A 88 9.865 -0.695 -6.193 1.00 0.00 C ATOM 1310 O ASN A 88 9.479 -1.794 -5.799 1.00 0.00 O ATOM 1311 CB ASN A 88 11.915 0.114 -5.018 1.00 0.00 C ATOM 1312 CG ASN A 88 11.786 -0.893 -3.891 1.00 0.00 C ATOM 1313 OD1 ASN A 88 12.153 -2.136 -4.168 1.00 0.00 O flip ATOM 1314 ND2 ASN A 88 11.362 -0.555 -2.785 1.00 0.00 N flip ATOM 0 H ASN A 88 12.302 1.296 -7.147 1.00 0.00 H new ATOM 0 HA ASN A 88 11.852 -1.338 -6.631 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.965 0.376 -5.146 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.389 1.028 -4.744 1.00 0.00 H new ATOM 0 HD21 ASN A 88 11.091 0.414 -2.617 1.00 0.00 H new ATOM 0 HD22 ASN A 88 11.282 -1.244 -2.037 1.00 0.00 H new ATOM 1321 N SER A 89 9.028 0.287 -6.507 1.00 0.00 N ATOM 1322 CA SER A 89 7.581 0.119 -6.390 1.00 0.00 C ATOM 1323 C SER A 89 6.966 -0.595 -7.600 1.00 0.00 C ATOM 1324 O SER A 89 6.023 -1.373 -7.452 1.00 0.00 O ATOM 1325 CB SER A 89 6.905 1.478 -6.201 1.00 0.00 C ATOM 1326 OG SER A 89 7.240 2.044 -4.946 1.00 0.00 O ATOM 0 H SER A 89 9.322 1.204 -6.843 1.00 0.00 H new ATOM 0 HA SER A 89 7.409 -0.511 -5.517 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.209 2.153 -7.001 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.824 1.363 -6.275 1.00 0.00 H new ATOM 0 HG SER A 89 6.797 2.913 -4.850 1.00 0.00 H new ATOM 1332 N VAL A 90 7.468 -0.297 -8.797 1.00 0.00 N ATOM 1333 CA VAL A 90 6.923 -0.890 -10.019 1.00 0.00 C ATOM 1334 C VAL A 90 7.310 -2.360 -10.209 1.00 0.00 C ATOM 1335 O VAL A 90 6.442 -3.205 -10.430 1.00 0.00 O ATOM 1336 CB VAL A 90 7.316 -0.075 -11.274 1.00 0.00 C ATOM 1337 CG1 VAL A 90 7.122 1.409 -11.021 1.00 0.00 C ATOM 1338 CG2 VAL A 90 8.749 -0.350 -11.703 1.00 0.00 C ATOM 0 H VAL A 90 8.245 0.346 -8.948 1.00 0.00 H new ATOM 0 HA VAL A 90 5.841 -0.856 -9.896 1.00 0.00 H new ATOM 0 HB VAL A 90 6.662 -0.390 -12.087 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.402 1.970 -11.913 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.076 1.604 -10.784 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.748 1.720 -10.185 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.984 0.242 -12.587 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.429 -0.081 -10.895 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.863 -1.409 -11.935 1.00 0.00 H new ATOM 1348 N ILE A 91 8.603 -2.664 -10.148 1.00 0.00 N ATOM 1349 CA ILE A 91 9.058 -4.035 -10.336 1.00 0.00 C ATOM 1350 C ILE A 91 8.938 -4.842 -9.043 1.00 0.00 C ATOM 1351 O ILE A 91 9.091 -4.307 -7.944 1.00 0.00 O ATOM 1352 CB ILE A 91 10.509 -4.088 -10.876 1.00 0.00 C ATOM 1353 CG1 ILE A 91 10.586 -3.430 -12.264 1.00 0.00 C ATOM 1354 CG2 ILE A 91 11.007 -5.528 -10.940 1.00 0.00 C ATOM 1355 CD1 ILE A 91 11.296 -2.091 -12.262 1.00 0.00 C ATOM 0 H ILE A 91 9.346 -1.987 -9.972 1.00 0.00 H new ATOM 0 HA ILE A 91 8.406 -4.488 -11.084 1.00 0.00 H new ATOM 0 HB ILE A 91 11.152 -3.534 -10.192 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.101 -4.104 -12.948 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.575 -3.295 -12.650 1.00 0.00 H new ATOM 0 HG21 ILE A 91 12.028 -5.543 -11.322 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.986 -5.965 -9.942 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.363 -6.107 -11.602 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.312 -1.686 -13.274 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.769 -1.401 -11.604 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.318 -2.222 -11.907 1.00 0.00 H new ATOM 1367 N GLU A 92 8.643 -6.131 -9.188 1.00 0.00 N ATOM 1368 CA GLU A 92 8.472 -7.021 -8.046 1.00 0.00 C ATOM 1369 C GLU A 92 9.157 -8.354 -8.315 1.00 0.00 C ATOM 1370 O GLU A 92 9.541 -8.632 -9.450 1.00 0.00 O ATOM 1371 CB GLU A 92 6.978 -7.253 -7.794 1.00 0.00 C ATOM 1372 CG GLU A 92 6.666 -7.798 -6.411 1.00 0.00 C ATOM 1373 CD GLU A 92 5.187 -7.731 -6.078 1.00 0.00 C ATOM 1374 OE1 GLU A 92 4.712 -6.637 -5.706 1.00 0.00 O ATOM 1375 OE2 GLU A 92 4.506 -8.771 -6.188 1.00 0.00 O ATOM 0 H GLU A 92 8.517 -6.584 -10.093 1.00 0.00 H new ATOM 0 HA GLU A 92 8.922 -6.561 -7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.446 -6.312 -7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.597 -7.948 -8.542 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.002 -8.833 -6.348 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.228 -7.234 -5.667 1.00 0.00 H new ATOM 1382 N ASN A 93 9.325 -9.181 -7.283 1.00 0.00 N ATOM 1383 CA ASN A 93 9.978 -10.475 -7.459 1.00 0.00 C ATOM 1384 C ASN A 93 8.956 -11.605 -7.376 1.00 0.00 C ATOM 1385 O ASN A 93 8.566 -12.032 -6.289 1.00 0.00 O ATOM 1386 CB ASN A 93 11.058 -10.669 -6.390 1.00 0.00 C ATOM 1387 CG ASN A 93 11.773 -12.001 -6.514 1.00 0.00 C ATOM 1388 OD1 ASN A 93 11.678 -12.678 -7.537 1.00 0.00 O ATOM 1389 ND2 ASN A 93 12.497 -12.383 -5.467 1.00 0.00 N ATOM 0 H ASN A 93 9.022 -8.981 -6.330 1.00 0.00 H new ATOM 0 HA ASN A 93 10.443 -10.497 -8.444 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.787 -9.862 -6.465 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.603 -10.596 -5.402 1.00 0.00 H new ATOM 0 HD21 ASN A 93 13.002 -13.269 -5.492 1.00 0.00 H new ATOM 0 HD22 ASN A 93 12.548 -11.790 -4.639 1.00 0.00 H new ATOM 1396 N VAL A 94 8.542 -12.089 -8.539 1.00 0.00 N ATOM 1397 CA VAL A 94 7.579 -13.178 -8.624 1.00 0.00 C ATOM 1398 C VAL A 94 8.287 -14.513 -8.835 1.00 0.00 C ATOM 1399 O VAL A 94 8.613 -14.874 -9.966 1.00 0.00 O ATOM 1400 CB VAL A 94 6.572 -12.945 -9.768 1.00 0.00 C ATOM 1401 CG1 VAL A 94 5.568 -14.086 -9.848 1.00 0.00 C ATOM 1402 CG2 VAL A 94 5.860 -11.614 -9.581 1.00 0.00 C ATOM 0 H VAL A 94 8.861 -11.741 -9.443 1.00 0.00 H new ATOM 0 HA VAL A 94 7.036 -13.206 -7.679 1.00 0.00 H new ATOM 0 HB VAL A 94 7.122 -12.915 -10.709 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.868 -13.899 -10.663 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.095 -15.022 -10.031 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.020 -14.155 -8.908 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.152 -11.462 -10.396 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.325 -11.618 -8.631 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.592 -10.806 -9.582 1.00 0.00 H new ATOM 1412 N ASP A 95 8.526 -15.248 -7.751 1.00 0.00 N ATOM 1413 CA ASP A 95 9.196 -16.543 -7.834 1.00 0.00 C ATOM 1414 C ASP A 95 10.532 -16.437 -8.563 1.00 0.00 C ATOM 1415 O ASP A 95 10.940 -17.363 -9.263 1.00 0.00 O ATOM 1416 CB ASP A 95 8.302 -17.571 -8.528 1.00 0.00 C ATOM 1417 CG ASP A 95 8.719 -18.996 -8.213 1.00 0.00 C ATOM 1418 OD1 ASP A 95 9.350 -19.208 -7.156 1.00 0.00 O ATOM 1419 OD2 ASP A 95 8.415 -19.897 -9.023 1.00 0.00 O ATOM 0 H ASP A 95 8.266 -14.969 -6.805 1.00 0.00 H new ATOM 0 HA ASP A 95 9.392 -16.874 -6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.268 -17.419 -8.218 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.338 -17.413 -9.606 1.00 0.00 H new ATOM 1424 N GLY A 96 11.209 -15.304 -8.396 1.00 0.00 N ATOM 1425 CA GLY A 96 12.497 -15.110 -9.043 1.00 0.00 C ATOM 1426 C GLY A 96 12.384 -14.431 -10.396 1.00 0.00 C ATOM 1427 O GLY A 96 13.214 -14.652 -11.277 1.00 0.00 O ATOM 0 H GLY A 96 10.891 -14.519 -7.827 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.137 -14.512 -8.394 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.984 -16.077 -9.167 1.00 0.00 H new ATOM 1431 N SER A 97 11.351 -13.609 -10.568 1.00 0.00 N ATOM 1432 CA SER A 97 11.138 -12.909 -11.831 1.00 0.00 C ATOM 1433 C SER A 97 10.674 -11.474 -11.595 1.00 0.00 C ATOM 1434 O SER A 97 9.789 -11.223 -10.776 1.00 0.00 O ATOM 1435 CB SER A 97 10.107 -13.654 -12.678 1.00 0.00 C ATOM 1436 OG SER A 97 10.313 -13.421 -14.060 1.00 0.00 O ATOM 0 H SER A 97 10.652 -13.412 -9.852 1.00 0.00 H new ATOM 0 HA SER A 97 12.089 -12.878 -12.363 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.169 -14.723 -12.474 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.103 -13.334 -12.398 1.00 0.00 H new ATOM 0 HG SER A 97 9.641 -13.911 -14.578 1.00 0.00 H new ATOM 1442 N LEU A 98 11.277 -10.536 -12.319 1.00 0.00 N ATOM 1443 CA LEU A 98 10.925 -9.128 -12.189 1.00 0.00 C ATOM 1444 C LEU A 98 9.575 -8.852 -12.837 1.00 0.00 C ATOM 1445 O LEU A 98 9.388 -9.090 -14.030 1.00 0.00 O ATOM 1446 CB LEU A 98 11.997 -8.246 -12.832 1.00 0.00 C ATOM 1447 CG LEU A 98 13.416 -8.447 -12.297 1.00 0.00 C ATOM 1448 CD1 LEU A 98 14.379 -7.486 -12.977 1.00 0.00 C ATOM 1449 CD2 LEU A 98 13.444 -8.257 -10.788 1.00 0.00 C ATOM 0 H LEU A 98 12.011 -10.726 -13.001 1.00 0.00 H new ATOM 0 HA LEU A 98 10.862 -8.891 -11.127 1.00 0.00 H new ATOM 0 HB2 LEU A 98 12.001 -8.433 -13.906 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.718 -7.202 -12.691 1.00 0.00 H new ATOM 0 HG LEU A 98 13.733 -9.466 -12.521 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.385 -7.641 -12.586 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.376 -7.667 -14.052 1.00 0.00 H new ATOM 0 HD13 LEU A 98 14.068 -6.460 -12.781 1.00 0.00 H new ATOM 0 HD21 LEU A 98 14.460 -8.403 -10.422 1.00 0.00 H new ATOM 0 HD22 LEU A 98 13.111 -7.249 -10.542 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.781 -8.983 -10.318 1.00 0.00 H new ATOM 1461 N LYS A 99 8.628 -8.370 -12.040 1.00 0.00 N ATOM 1462 CA LYS A 99 7.286 -8.086 -12.534 1.00 0.00 C ATOM 1463 C LYS A 99 6.877 -6.644 -12.249 1.00 0.00 C ATOM 1464 O LYS A 99 7.010 -6.162 -11.128 1.00 0.00 O ATOM 1465 CB LYS A 99 6.290 -9.046 -11.882 1.00 0.00 C ATOM 1466 CG LYS A 99 6.257 -10.421 -12.534 1.00 0.00 C ATOM 1467 CD LYS A 99 4.836 -10.867 -12.839 1.00 0.00 C ATOM 1468 CE LYS A 99 4.785 -12.337 -13.228 1.00 0.00 C ATOM 1469 NZ LYS A 99 3.392 -12.794 -13.485 1.00 0.00 N ATOM 0 H LYS A 99 8.765 -8.168 -11.050 1.00 0.00 H new ATOM 0 HA LYS A 99 7.285 -8.225 -13.615 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.543 -9.158 -10.828 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.293 -8.608 -11.926 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.837 -10.400 -13.456 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.732 -11.147 -11.875 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.205 -10.698 -11.966 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.429 -10.261 -13.648 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.390 -12.498 -14.120 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.224 -12.939 -12.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.400 -13.800 -13.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.820 -12.664 -12.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.982 -12.237 -14.262 1.00 0.00 H new ATOM 1483 N TYR A 100 6.374 -5.963 -13.275 1.00 0.00 N ATOM 1484 CA TYR A 100 5.936 -4.577 -13.137 1.00 0.00 C ATOM 1485 C TYR A 100 4.551 -4.519 -12.503 1.00 0.00 C ATOM 1486 O TYR A 100 4.235 -3.595 -11.752 1.00 0.00 O ATOM 1487 CB TYR A 100 5.918 -3.890 -14.506 1.00 0.00 C ATOM 1488 CG TYR A 100 5.518 -2.430 -14.459 1.00 0.00 C ATOM 1489 CD1 TYR A 100 4.185 -2.060 -14.325 1.00 0.00 C ATOM 1490 CD2 TYR A 100 6.471 -1.423 -14.553 1.00 0.00 C ATOM 1491 CE1 TYR A 100 3.814 -0.730 -14.284 1.00 0.00 C ATOM 1492 CE2 TYR A 100 6.108 -0.090 -14.512 1.00 0.00 C ATOM 1493 CZ TYR A 100 4.778 0.252 -14.379 1.00 0.00 C ATOM 1494 OH TYR A 100 4.410 1.577 -14.338 1.00 0.00 O ATOM 0 H TYR A 100 6.259 -6.349 -14.212 1.00 0.00 H new ATOM 0 HA TYR A 100 6.639 -4.053 -12.489 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.908 -3.970 -14.954 1.00 0.00 H new ATOM 0 HB3 TYR A 100 5.228 -4.424 -15.160 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.426 -2.825 -14.252 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.513 -1.686 -14.660 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.774 -0.460 -14.178 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.862 0.680 -14.584 1.00 0.00 H new ATOM 0 HH TYR A 100 5.208 2.141 -14.416 1.00 0.00 H new