USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 589 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 58 ASN : amide:sc= -1.76 K(o=-4.8,f=-5.4!) USER MOD Set 1.2: A 77 SER OG : rot -90:sc= -2.99! USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS :FLIP no HE2:sc= 0.112 F(o=-1.1,f=0.11) USER MOD Single : A 30 THR OG1 : rot -157:sc= -1.95 USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.56 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 67:sc= 0.523 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.143 K(o=-0.14,f=-4.5!) USER MOD Single : A 65 MET CE :methyl -121:sc= -1.81 (180deg=-7.06!) USER MOD Single : A 67 HIS : no HE2:sc= -0.499 X(o=-0.5,f=-0.1) USER MOD Single : A 71 GLN : amide:sc= -0.991 K(o=-0.99,f=-3!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.132 K(o=-0.13,f=-0.98) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.261 13.039 2.325 1.00 0.00 N ATOM 60 CA GLY A 7 -1.628 11.777 1.980 1.00 0.00 C ATOM 61 C GLY A 7 -0.757 11.268 3.129 1.00 0.00 C ATOM 62 O GLY A 7 0.160 11.958 3.571 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.391 11.036 1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.018 11.905 1.086 1.00 0.00 H new ATOM 66 N LEU A 8 -1.074 10.063 3.581 1.00 0.00 N ATOM 67 CA LEU A 8 -0.332 9.453 4.671 1.00 0.00 C ATOM 68 C LEU A 8 0.365 8.189 4.162 1.00 0.00 C ATOM 69 O LEU A 8 -0.062 7.596 3.173 1.00 0.00 O ATOM 70 CB LEU A 8 -1.247 9.209 5.872 1.00 0.00 C ATOM 71 CG LEU A 8 -1.150 7.826 6.520 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.569 7.879 7.990 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.956 6.793 5.731 1.00 0.00 C ATOM 0 H LEU A 8 -1.835 9.493 3.212 1.00 0.00 H new ATOM 0 HA LEU A 8 0.447 10.127 5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.026 9.960 6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.278 9.369 5.556 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.107 7.509 6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.491 6.883 8.427 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.916 8.564 8.530 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.599 8.227 8.062 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.870 5.819 6.213 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.004 7.093 5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.570 6.730 4.714 1.00 0.00 H new ATOM 85 N THR A 9 1.426 7.815 4.862 1.00 0.00 N ATOM 86 CA THR A 9 2.186 6.633 4.494 1.00 0.00 C ATOM 87 C THR A 9 1.926 5.500 5.489 1.00 0.00 C ATOM 88 O THR A 9 1.447 5.739 6.596 1.00 0.00 O ATOM 89 CB THR A 9 3.661 7.030 4.398 1.00 0.00 C ATOM 90 OG1 THR A 9 3.676 8.081 3.436 1.00 0.00 O ATOM 91 CG2 THR A 9 4.522 5.934 3.767 1.00 0.00 C ATOM 0 H THR A 9 1.777 8.310 5.682 1.00 0.00 H new ATOM 0 HA THR A 9 1.873 6.249 3.523 1.00 0.00 H new ATOM 0 HB THR A 9 4.040 7.261 5.393 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.595 8.399 3.313 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.559 6.266 3.723 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.457 5.028 4.370 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.164 5.726 2.759 1.00 0.00 H new ATOM 99 N VAL A 10 2.251 4.290 5.057 1.00 0.00 N ATOM 100 CA VAL A 10 2.058 3.120 5.896 1.00 0.00 C ATOM 101 C VAL A 10 3.282 2.208 5.782 1.00 0.00 C ATOM 102 O VAL A 10 3.936 2.168 4.741 1.00 0.00 O ATOM 103 CB VAL A 10 0.752 2.417 5.521 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.759 1.996 4.050 1.00 0.00 C ATOM 105 CG2 VAL A 10 0.494 1.216 6.433 1.00 0.00 C ATOM 0 H VAL A 10 2.647 4.095 4.137 1.00 0.00 H new ATOM 0 HA VAL A 10 1.966 3.411 6.942 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.063 3.127 5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.181 1.499 3.809 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.875 2.878 3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.588 1.311 3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.440 0.734 6.145 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.314 0.504 6.338 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.425 1.553 7.467 1.00 0.00 H new ATOM 115 N ASP A 11 3.555 1.498 6.867 1.00 0.00 N ATOM 116 CA ASP A 11 4.688 0.590 6.902 1.00 0.00 C ATOM 117 C ASP A 11 4.184 -0.840 7.102 1.00 0.00 C ATOM 118 O ASP A 11 4.063 -1.307 8.233 1.00 0.00 O ATOM 119 CB ASP A 11 5.629 0.926 8.061 1.00 0.00 C ATOM 120 CG ASP A 11 5.703 2.411 8.423 1.00 0.00 C ATOM 121 OD1 ASP A 11 5.980 3.207 7.499 1.00 0.00 O ATOM 122 OD2 ASP A 11 5.482 2.716 9.614 1.00 0.00 O ATOM 0 H ASP A 11 3.010 1.534 7.729 1.00 0.00 H new ATOM 0 HA ASP A 11 5.227 0.688 5.960 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.310 0.368 8.942 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.631 0.578 7.809 1.00 0.00 H new ATOM 127 N VAL A 12 3.904 -1.497 5.985 1.00 0.00 N ATOM 128 CA VAL A 12 3.415 -2.865 6.024 1.00 0.00 C ATOM 129 C VAL A 12 4.518 -3.780 6.560 1.00 0.00 C ATOM 130 O VAL A 12 5.702 -3.505 6.376 1.00 0.00 O ATOM 131 CB VAL A 12 2.914 -3.280 4.640 1.00 0.00 C ATOM 132 CG1 VAL A 12 2.357 -4.705 4.663 1.00 0.00 C ATOM 133 CG2 VAL A 12 1.870 -2.293 4.115 1.00 0.00 C ATOM 0 H VAL A 12 4.007 -1.107 5.048 1.00 0.00 H new ATOM 0 HA VAL A 12 2.565 -2.949 6.701 1.00 0.00 H new ATOM 0 HB VAL A 12 3.764 -3.263 3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.008 -4.975 3.667 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.140 -5.397 4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.526 -4.759 5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.531 -2.612 3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.022 -2.263 4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.313 -1.300 4.042 1.00 0.00 H new ATOM 143 N ALA A 13 4.088 -4.850 7.214 1.00 0.00 N ATOM 144 CA ALA A 13 5.024 -5.807 7.778 1.00 0.00 C ATOM 145 C ALA A 13 5.312 -6.901 6.747 1.00 0.00 C ATOM 146 O ALA A 13 4.585 -7.040 5.765 1.00 0.00 O ATOM 147 CB ALA A 13 4.454 -6.371 9.082 1.00 0.00 C ATOM 0 H ALA A 13 3.105 -5.075 7.365 1.00 0.00 H new ATOM 0 HA ALA A 13 5.970 -5.322 8.018 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.156 -7.089 9.505 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.294 -5.558 9.791 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.505 -6.868 8.880 1.00 0.00 H new ATOM 153 N GLY A 14 6.375 -7.648 7.006 1.00 0.00 N ATOM 154 CA GLY A 14 6.769 -8.724 6.113 1.00 0.00 C ATOM 155 C GLY A 14 7.428 -9.867 6.888 1.00 0.00 C ATOM 156 O GLY A 14 7.383 -9.895 8.117 1.00 0.00 O ATOM 0 H GLY A 14 6.976 -7.529 7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.895 -9.098 5.580 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.461 -8.343 5.362 1.00 0.00 H new ATOM 160 N PRO A 15 8.041 -10.806 6.118 1.00 0.00 N ATOM 161 CA PRO A 15 8.048 -10.697 4.670 1.00 0.00 C ATOM 162 C PRO A 15 6.681 -11.060 4.086 1.00 0.00 C ATOM 163 O PRO A 15 5.693 -11.143 4.814 1.00 0.00 O ATOM 164 CB PRO A 15 9.157 -11.629 4.210 1.00 0.00 C ATOM 165 CG PRO A 15 9.417 -12.572 5.374 1.00 0.00 C ATOM 166 CD PRO A 15 8.740 -11.991 6.605 1.00 0.00 C ATOM 0 HA PRO A 15 8.233 -9.679 4.326 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.859 -12.181 3.319 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.056 -11.069 3.952 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.025 -13.565 5.156 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.488 -12.683 5.544 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.047 -12.705 7.050 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.469 -11.733 7.373 1.00 0.00 H new ATOM 174 N ALA A 16 6.668 -11.268 2.777 1.00 0.00 N ATOM 175 CA ALA A 16 5.439 -11.621 2.087 1.00 0.00 C ATOM 176 C ALA A 16 4.981 -13.007 2.547 1.00 0.00 C ATOM 177 O ALA A 16 5.755 -13.753 3.145 1.00 0.00 O ATOM 178 CB ALA A 16 5.664 -11.553 0.576 1.00 0.00 C ATOM 0 H ALA A 16 7.489 -11.199 2.176 1.00 0.00 H new ATOM 0 HA ALA A 16 4.646 -10.914 2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.742 -11.818 0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.959 -10.541 0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.452 -12.251 0.294 1.00 0.00 H new ATOM 184 N PRO A 17 3.693 -13.317 2.241 1.00 0.00 N ATOM 185 CA PRO A 17 2.845 -12.375 1.531 1.00 0.00 C ATOM 186 C PRO A 17 2.390 -11.242 2.453 1.00 0.00 C ATOM 187 O PRO A 17 2.653 -11.272 3.655 1.00 0.00 O ATOM 188 CB PRO A 17 1.690 -13.208 1.000 1.00 0.00 C ATOM 189 CG PRO A 17 1.688 -14.488 1.820 1.00 0.00 C ATOM 190 CD PRO A 17 3.012 -14.567 2.564 1.00 0.00 C ATOM 0 HA PRO A 17 3.366 -11.874 0.715 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.744 -12.676 1.104 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.819 -13.424 -0.061 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.855 -14.490 2.523 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.561 -15.356 1.173 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.857 -14.668 3.638 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.595 -15.430 2.244 1.00 0.00 H new ATOM 198 N TRP A 18 1.716 -10.270 1.857 1.00 0.00 N ATOM 199 CA TRP A 18 1.222 -9.130 2.610 1.00 0.00 C ATOM 200 C TRP A 18 -0.158 -9.490 3.164 1.00 0.00 C ATOM 201 O TRP A 18 -0.346 -9.555 4.377 1.00 0.00 O ATOM 202 CB TRP A 18 1.208 -7.867 1.746 1.00 0.00 C ATOM 203 CG TRP A 18 2.511 -7.621 0.983 1.00 0.00 C ATOM 204 CD1 TRP A 18 2.732 -7.742 -0.333 1.00 0.00 C ATOM 205 CD2 TRP A 18 3.773 -7.204 1.547 1.00 0.00 C ATOM 206 NE1 TRP A 18 4.037 -7.434 -0.658 1.00 0.00 N ATOM 207 CE2 TRP A 18 4.690 -7.097 0.522 1.00 0.00 C ATOM 208 CE3 TRP A 18 4.126 -6.926 2.879 1.00 0.00 C ATOM 209 CZ2 TRP A 18 6.021 -6.711 0.722 1.00 0.00 C ATOM 210 CZ3 TRP A 18 5.460 -6.542 3.062 1.00 0.00 C ATOM 211 CH2 TRP A 18 6.396 -6.430 2.041 1.00 0.00 C ATOM 0 H TRP A 18 1.500 -10.248 0.860 1.00 0.00 H new ATOM 0 HA TRP A 18 1.884 -8.904 3.446 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.388 -7.937 1.031 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.003 -7.006 2.382 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.982 -8.043 -1.050 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.447 -7.451 -1.592 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.424 -7.003 3.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.721 -6.634 -0.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 5.784 -6.317 4.067 1.00 0.00 H new ATOM 0 HH2 TRP A 18 7.408 -6.127 2.264 1.00 0.00 H new ATOM 222 N GLY A 19 -1.088 -9.716 2.247 1.00 0.00 N ATOM 223 CA GLY A 19 -2.445 -10.069 2.628 1.00 0.00 C ATOM 224 C GLY A 19 -3.427 -8.958 2.250 1.00 0.00 C ATOM 225 O GLY A 19 -4.385 -8.698 2.976 1.00 0.00 O ATOM 0 H GLY A 19 -0.928 -9.661 1.241 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.735 -10.998 2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.490 -10.249 3.702 1.00 0.00 H new ATOM 229 N PHE A 20 -3.154 -8.334 1.113 1.00 0.00 N ATOM 230 CA PHE A 20 -4.002 -7.257 0.629 1.00 0.00 C ATOM 231 C PHE A 20 -4.090 -7.273 -0.898 1.00 0.00 C ATOM 232 O PHE A 20 -3.165 -7.723 -1.572 1.00 0.00 O ATOM 233 CB PHE A 20 -3.357 -5.944 1.077 1.00 0.00 C ATOM 234 CG PHE A 20 -2.193 -5.489 0.194 1.00 0.00 C ATOM 235 CD1 PHE A 20 -2.439 -4.796 -0.950 1.00 0.00 C ATOM 236 CD2 PHE A 20 -0.914 -5.778 0.553 1.00 0.00 C ATOM 237 CE1 PHE A 20 -1.359 -4.374 -1.770 1.00 0.00 C ATOM 238 CE2 PHE A 20 0.166 -5.356 -0.267 1.00 0.00 C ATOM 239 CZ PHE A 20 -0.080 -4.663 -1.411 1.00 0.00 C ATOM 0 H PHE A 20 -2.358 -8.553 0.513 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.011 -7.371 1.026 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.117 -5.163 1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.000 -6.057 2.101 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.455 -4.567 -1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.719 -6.328 1.462 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.554 -3.824 -2.679 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.182 -5.585 0.018 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.741 -4.342 -2.035 1.00 0.00 H new ATOM 249 N ARG A 21 -5.212 -6.777 -1.399 1.00 0.00 N ATOM 250 CA ARG A 21 -5.433 -6.729 -2.834 1.00 0.00 C ATOM 251 C ARG A 21 -5.509 -5.277 -3.311 1.00 0.00 C ATOM 252 O ARG A 21 -5.543 -4.354 -2.499 1.00 0.00 O ATOM 253 CB ARG A 21 -6.726 -7.452 -3.217 1.00 0.00 C ATOM 254 CG ARG A 21 -6.588 -8.963 -3.019 1.00 0.00 C ATOM 255 CD ARG A 21 -7.892 -9.683 -3.368 1.00 0.00 C ATOM 256 NE ARG A 21 -7.608 -11.081 -3.764 1.00 0.00 N ATOM 257 CZ ARG A 21 -7.078 -11.435 -4.943 1.00 0.00 C ATOM 258 NH1 ARG A 21 -6.770 -10.496 -5.848 1.00 0.00 N ATOM 259 NH2 ARG A 21 -6.855 -12.728 -5.216 1.00 0.00 N ATOM 0 H ARG A 21 -5.977 -6.405 -0.837 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.593 -7.230 -3.315 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.550 -7.076 -2.611 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.972 -7.239 -4.257 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.780 -9.343 -3.644 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.317 -9.175 -1.985 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.566 -9.669 -2.511 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.399 -9.162 -4.180 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.830 -11.821 -3.098 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.939 -9.512 -5.640 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.367 -10.765 -6.745 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.089 -13.442 -4.527 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.452 -12.998 -6.113 1.00 0.00 H new ATOM 273 N ILE A 22 -5.534 -5.120 -4.627 1.00 0.00 N ATOM 274 CA ILE A 22 -5.605 -3.797 -5.221 1.00 0.00 C ATOM 275 C ILE A 22 -6.493 -3.848 -6.466 1.00 0.00 C ATOM 276 O ILE A 22 -6.862 -4.928 -6.925 1.00 0.00 O ATOM 277 CB ILE A 22 -4.200 -3.254 -5.490 1.00 0.00 C ATOM 278 CG1 ILE A 22 -3.412 -4.199 -6.399 1.00 0.00 C ATOM 279 CG2 ILE A 22 -3.462 -2.970 -4.181 1.00 0.00 C ATOM 280 CD1 ILE A 22 -2.288 -3.454 -7.123 1.00 0.00 C ATOM 0 H ILE A 22 -5.506 -5.888 -5.298 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.067 -3.093 -4.528 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.296 -2.305 -6.018 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.992 -5.012 -5.807 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.083 -4.650 -7.130 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.466 -2.585 -4.401 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.017 -2.231 -3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.376 -3.891 -3.605 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.744 -4.149 -7.762 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.714 -2.657 -7.733 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.605 -3.025 -6.390 1.00 0.00 H new ATOM 292 N SER A 23 -6.810 -2.668 -6.977 1.00 0.00 N ATOM 293 CA SER A 23 -7.648 -2.565 -8.160 1.00 0.00 C ATOM 294 C SER A 23 -7.217 -1.364 -9.004 1.00 0.00 C ATOM 295 O SER A 23 -6.299 -0.636 -8.630 1.00 0.00 O ATOM 296 CB SER A 23 -9.125 -2.445 -7.780 1.00 0.00 C ATOM 297 OG SER A 23 -9.947 -3.317 -8.551 1.00 0.00 O ATOM 0 H SER A 23 -6.502 -1.774 -6.594 1.00 0.00 H new ATOM 0 HA SER A 23 -7.525 -3.475 -8.747 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.247 -2.674 -6.721 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.454 -1.416 -7.923 1.00 0.00 H new ATOM 0 HG SER A 23 -10.882 -3.212 -8.277 1.00 0.00 H new ATOM 303 N GLY A 24 -7.900 -1.194 -10.126 1.00 0.00 N ATOM 304 CA GLY A 24 -7.600 -0.093 -11.026 1.00 0.00 C ATOM 305 C GLY A 24 -6.159 -0.177 -11.533 1.00 0.00 C ATOM 306 O GLY A 24 -5.663 -1.264 -11.827 1.00 0.00 O ATOM 0 H GLY A 24 -8.661 -1.800 -10.433 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.288 -0.111 -11.871 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.753 0.855 -10.510 1.00 0.00 H new ATOM 310 N GLY A 25 -5.527 0.984 -11.620 1.00 0.00 N ATOM 311 CA GLY A 25 -4.153 1.055 -12.086 1.00 0.00 C ATOM 312 C GLY A 25 -4.072 1.743 -13.450 1.00 0.00 C ATOM 313 O GLY A 25 -5.064 1.815 -14.173 1.00 0.00 O ATOM 0 H GLY A 25 -5.941 1.883 -11.376 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.548 1.601 -11.363 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.737 0.050 -12.156 1.00 0.00 H new ATOM 317 N ARG A 26 -2.880 2.232 -13.761 1.00 0.00 N ATOM 318 CA ARG A 26 -2.657 2.912 -15.026 1.00 0.00 C ATOM 319 C ARG A 26 -3.335 2.149 -16.165 1.00 0.00 C ATOM 320 O ARG A 26 -3.893 2.757 -17.078 1.00 0.00 O ATOM 321 CB ARG A 26 -1.162 3.039 -15.326 1.00 0.00 C ATOM 322 CG ARG A 26 -0.930 3.630 -16.718 1.00 0.00 C ATOM 323 CD ARG A 26 -0.421 5.070 -16.625 1.00 0.00 C ATOM 324 NE ARG A 26 -1.210 5.944 -17.522 1.00 0.00 N ATOM 325 CZ ARG A 26 -2.377 6.510 -17.184 1.00 0.00 C ATOM 326 NH1 ARG A 26 -2.897 6.297 -15.968 1.00 0.00 N ATOM 327 NH2 ARG A 26 -3.022 7.289 -18.062 1.00 0.00 N ATOM 0 H ARG A 26 -2.059 2.171 -13.159 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.087 3.911 -14.946 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.689 3.672 -14.575 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.690 2.059 -15.260 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.208 3.020 -17.260 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.859 3.605 -17.287 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.497 5.426 -15.598 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.633 5.110 -16.899 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.843 6.127 -18.456 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.405 5.704 -15.300 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.785 6.728 -15.711 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.625 7.451 -18.987 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.910 7.720 -17.805 1.00 0.00 H new ATOM 341 N ASP A 27 -3.266 0.829 -16.075 1.00 0.00 N ATOM 342 CA ASP A 27 -3.867 -0.023 -17.087 1.00 0.00 C ATOM 343 C ASP A 27 -5.343 0.348 -17.248 1.00 0.00 C ATOM 344 O ASP A 27 -5.798 0.634 -18.355 1.00 0.00 O ATOM 345 CB ASP A 27 -3.791 -1.496 -16.683 1.00 0.00 C ATOM 346 CG ASP A 27 -4.314 -1.810 -15.280 1.00 0.00 C ATOM 347 OD1 ASP A 27 -4.437 -0.847 -14.492 1.00 0.00 O ATOM 348 OD2 ASP A 27 -4.579 -3.005 -15.026 1.00 0.00 O ATOM 0 H ASP A 27 -2.803 0.328 -15.316 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.321 0.123 -18.019 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.356 -2.085 -17.405 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.753 -1.822 -16.749 1.00 0.00 H new ATOM 353 N PHE A 28 -6.050 0.331 -16.128 1.00 0.00 N ATOM 354 CA PHE A 28 -7.465 0.661 -16.131 1.00 0.00 C ATOM 355 C PHE A 28 -7.675 2.174 -16.040 1.00 0.00 C ATOM 356 O PHE A 28 -8.806 2.641 -15.909 1.00 0.00 O ATOM 357 CB PHE A 28 -8.083 -0.002 -14.899 1.00 0.00 C ATOM 358 CG PHE A 28 -8.136 -1.530 -14.976 1.00 0.00 C ATOM 359 CD1 PHE A 28 -9.153 -2.142 -15.640 1.00 0.00 C ATOM 360 CD2 PHE A 28 -7.167 -2.275 -14.381 1.00 0.00 C ATOM 361 CE1 PHE A 28 -9.203 -3.559 -15.711 1.00 0.00 C ATOM 362 CE2 PHE A 28 -7.217 -3.692 -14.452 1.00 0.00 C ATOM 363 CZ PHE A 28 -8.234 -4.304 -15.116 1.00 0.00 C ATOM 0 H PHE A 28 -5.669 0.094 -15.212 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.926 0.311 -17.055 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.511 0.288 -14.018 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -9.095 0.380 -14.762 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -9.922 -1.550 -16.113 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.359 -1.789 -13.854 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.011 -4.045 -16.238 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -6.448 -4.284 -13.979 1.00 0.00 H new ATOM 0 HZ PHE A 28 -8.272 -5.382 -15.171 1.00 0.00 H new ATOM 373 N HIS A 29 -6.568 2.899 -16.113 1.00 0.00 N ATOM 374 CA HIS A 29 -6.616 4.349 -16.040 1.00 0.00 C ATOM 375 C HIS A 29 -7.258 4.775 -14.718 1.00 0.00 C ATOM 376 O HIS A 29 -7.914 5.813 -14.648 1.00 0.00 O ATOM 377 CB HIS A 29 -7.332 4.931 -17.260 1.00 0.00 C ATOM 378 CG HIS A 29 -6.565 4.779 -18.552 1.00 0.00 C ATOM 379 ND1 HIS A 29 -5.793 3.754 -19.015 1.00 0.00 N flip ATOM 380 CD2 HIS A 29 -6.542 5.758 -19.530 1.00 0.00 C flip ATOM 381 CE1 HIS A 29 -5.326 4.088 -20.212 1.00 0.00 C flip ATOM 382 NE2 HIS A 29 -5.789 5.331 -20.533 1.00 0.00 N flip ATOM 0 H HIS A 29 -5.632 2.509 -16.222 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.603 4.751 -16.059 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.302 4.445 -17.366 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.524 5.990 -17.085 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -5.606 2.879 -18.525 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.052 6.709 -19.483 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.685 3.477 -20.830 1.00 0.00 H new ATOM 390 N THR A 30 -7.045 3.952 -13.701 1.00 0.00 N ATOM 391 CA THR A 30 -7.595 4.231 -12.385 1.00 0.00 C ATOM 392 C THR A 30 -6.500 4.141 -11.321 1.00 0.00 C ATOM 393 O THR A 30 -5.460 3.523 -11.545 1.00 0.00 O ATOM 394 CB THR A 30 -8.757 3.266 -12.144 1.00 0.00 C ATOM 395 OG1 THR A 30 -8.310 2.036 -12.707 1.00 0.00 O ATOM 396 CG2 THR A 30 -9.996 3.624 -12.968 1.00 0.00 C ATOM 0 H THR A 30 -6.499 3.092 -13.762 1.00 0.00 H new ATOM 0 HA THR A 30 -7.981 5.248 -12.325 1.00 0.00 H new ATOM 0 HB THR A 30 -9.013 3.265 -11.085 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.084 1.478 -12.930 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.791 2.908 -12.760 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.332 4.626 -12.703 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.749 3.593 -14.029 1.00 0.00 H new ATOM 404 N PRO A 31 -6.778 4.783 -10.154 1.00 0.00 N ATOM 405 CA PRO A 31 -5.829 4.781 -9.054 1.00 0.00 C ATOM 406 C PRO A 31 -5.814 3.426 -8.345 1.00 0.00 C ATOM 407 O PRO A 31 -6.853 2.782 -8.207 1.00 0.00 O ATOM 408 CB PRO A 31 -6.272 5.920 -8.151 1.00 0.00 C ATOM 409 CG PRO A 31 -7.713 6.217 -8.531 1.00 0.00 C ATOM 410 CD PRO A 31 -7.999 5.525 -9.854 1.00 0.00 C ATOM 0 HA PRO A 31 -4.801 4.929 -9.385 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.195 5.638 -7.101 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.642 6.798 -8.292 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.393 5.859 -7.758 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.870 7.292 -8.621 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.858 4.859 -9.775 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.226 6.247 -10.638 1.00 0.00 H new ATOM 418 N ILE A 32 -4.625 3.033 -7.912 1.00 0.00 N ATOM 419 CA ILE A 32 -4.462 1.766 -7.220 1.00 0.00 C ATOM 420 C ILE A 32 -5.186 1.828 -5.874 1.00 0.00 C ATOM 421 O ILE A 32 -4.719 2.481 -4.942 1.00 0.00 O ATOM 422 CB ILE A 32 -2.979 1.406 -7.104 1.00 0.00 C ATOM 423 CG1 ILE A 32 -2.321 1.343 -8.484 1.00 0.00 C ATOM 424 CG2 ILE A 32 -2.790 0.107 -6.318 1.00 0.00 C ATOM 425 CD1 ILE A 32 -2.337 -0.085 -9.034 1.00 0.00 C ATOM 0 H ILE A 32 -3.765 3.570 -8.027 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.919 0.958 -7.792 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.478 2.196 -6.544 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.845 2.007 -9.171 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.293 1.699 -8.417 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.727 -0.126 -6.250 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.200 0.226 -5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.308 -0.705 -6.828 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.863 -0.102 -10.016 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.792 -0.742 -8.356 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.367 -0.429 -9.122 1.00 0.00 H new ATOM 437 N ILE A 33 -6.317 1.139 -5.814 1.00 0.00 N ATOM 438 CA ILE A 33 -7.111 1.108 -4.598 1.00 0.00 C ATOM 439 C ILE A 33 -7.161 -0.325 -4.064 1.00 0.00 C ATOM 440 O ILE A 33 -7.186 -1.280 -4.839 1.00 0.00 O ATOM 441 CB ILE A 33 -8.490 1.721 -4.843 1.00 0.00 C ATOM 442 CG1 ILE A 33 -8.384 3.228 -5.091 1.00 0.00 C ATOM 443 CG2 ILE A 33 -9.447 1.396 -3.694 1.00 0.00 C ATOM 444 CD1 ILE A 33 -9.278 3.655 -6.257 1.00 0.00 C ATOM 0 H ILE A 33 -6.702 0.598 -6.588 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.648 1.721 -3.825 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.907 1.274 -5.746 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.672 3.770 -4.190 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.349 3.493 -5.306 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.420 1.844 -3.894 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.556 0.315 -3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.047 1.797 -2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.184 4.730 -6.413 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.972 3.129 -7.162 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.315 3.410 -6.029 1.00 0.00 H new ATOM 456 N VAL A 34 -7.174 -0.431 -2.743 1.00 0.00 N ATOM 457 CA VAL A 34 -7.221 -1.731 -2.096 1.00 0.00 C ATOM 458 C VAL A 34 -8.663 -2.242 -2.093 1.00 0.00 C ATOM 459 O VAL A 34 -9.591 -1.492 -1.794 1.00 0.00 O ATOM 460 CB VAL A 34 -6.616 -1.640 -0.694 1.00 0.00 C ATOM 461 CG1 VAL A 34 -6.681 -2.992 0.020 1.00 0.00 C ATOM 462 CG2 VAL A 34 -5.179 -1.118 -0.750 1.00 0.00 C ATOM 0 H VAL A 34 -7.153 0.363 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.621 -2.454 -2.648 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.209 -0.929 -0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.244 -2.900 1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.721 -3.307 0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.124 -3.733 -0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.772 -1.063 0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.570 -1.794 -1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.170 -0.125 -1.199 1.00 0.00 H new ATOM 472 N THR A 35 -8.806 -3.516 -2.430 1.00 0.00 N ATOM 473 CA THR A 35 -10.119 -4.136 -2.469 1.00 0.00 C ATOM 474 C THR A 35 -10.368 -4.940 -1.191 1.00 0.00 C ATOM 475 O THR A 35 -11.419 -4.808 -0.566 1.00 0.00 O ATOM 476 CB THR A 35 -10.206 -4.979 -3.743 1.00 0.00 C ATOM 477 OG1 THR A 35 -9.269 -6.031 -3.528 1.00 0.00 O ATOM 478 CG2 THR A 35 -9.664 -4.243 -4.970 1.00 0.00 C ATOM 0 H THR A 35 -8.034 -4.135 -2.678 1.00 0.00 H new ATOM 0 HA THR A 35 -10.909 -3.386 -2.503 1.00 0.00 H new ATOM 0 HB THR A 35 -11.243 -5.264 -3.919 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.262 -6.627 -4.306 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.749 -4.885 -5.847 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.239 -3.331 -5.131 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.617 -3.987 -4.808 1.00 0.00 H new ATOM 486 N LYS A 36 -9.384 -5.755 -0.841 1.00 0.00 N ATOM 487 CA LYS A 36 -9.483 -6.579 0.351 1.00 0.00 C ATOM 488 C LYS A 36 -8.281 -6.306 1.256 1.00 0.00 C ATOM 489 O LYS A 36 -7.246 -5.828 0.793 1.00 0.00 O ATOM 490 CB LYS A 36 -9.645 -8.053 -0.029 1.00 0.00 C ATOM 491 CG LYS A 36 -10.907 -8.646 0.601 1.00 0.00 C ATOM 492 CD LYS A 36 -10.583 -9.352 1.919 1.00 0.00 C ATOM 493 CE LYS A 36 -10.584 -10.872 1.741 1.00 0.00 C ATOM 494 NZ LYS A 36 -9.866 -11.525 2.858 1.00 0.00 N ATOM 0 H LYS A 36 -8.514 -5.862 -1.362 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.376 -6.320 0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.696 -8.149 -1.114 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.771 -8.615 0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.636 -7.855 0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.365 -9.353 -0.091 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.608 -9.025 2.281 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.315 -9.070 2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.610 -11.238 1.697 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.111 -11.134 0.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.876 -12.556 2.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.882 -11.189 2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.334 -11.290 3.756 1.00 0.00 H new ATOM 508 N VAL A 37 -8.456 -6.621 2.531 1.00 0.00 N ATOM 509 CA VAL A 37 -7.399 -6.416 3.506 1.00 0.00 C ATOM 510 C VAL A 37 -7.407 -7.568 4.512 1.00 0.00 C ATOM 511 O VAL A 37 -8.247 -7.605 5.411 1.00 0.00 O ATOM 512 CB VAL A 37 -7.554 -5.044 4.165 1.00 0.00 C ATOM 513 CG1 VAL A 37 -6.688 -4.939 5.423 1.00 0.00 C ATOM 514 CG2 VAL A 37 -7.227 -3.921 3.179 1.00 0.00 C ATOM 0 H VAL A 37 -9.315 -7.017 2.912 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.424 -6.419 3.018 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.596 -4.933 4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.817 -3.954 5.872 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.989 -5.706 6.137 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.641 -5.082 5.157 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.345 -2.957 3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.199 -4.028 2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.904 -3.977 2.326 1.00 0.00 H new ATOM 524 N THR A 38 -6.464 -8.480 4.328 1.00 0.00 N ATOM 525 CA THR A 38 -6.353 -9.630 5.210 1.00 0.00 C ATOM 526 C THR A 38 -6.396 -9.186 6.673 1.00 0.00 C ATOM 527 O THR A 38 -5.775 -8.191 7.043 1.00 0.00 O ATOM 528 CB THR A 38 -5.075 -10.386 4.841 1.00 0.00 C ATOM 529 OG1 THR A 38 -5.326 -10.872 3.525 1.00 0.00 O ATOM 530 CG2 THR A 38 -4.883 -11.653 5.676 1.00 0.00 C ATOM 0 H THR A 38 -5.770 -8.446 3.581 1.00 0.00 H new ATOM 0 HA THR A 38 -7.197 -10.308 5.085 1.00 0.00 H new ATOM 0 HB THR A 38 -4.215 -9.730 4.973 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.391 -10.117 2.904 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.962 -12.152 5.374 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.823 -11.388 6.731 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.727 -12.324 5.518 1.00 0.00 H new ATOM 606 N ALA A 43 -0.606 -6.145 6.366 1.00 0.00 N ATOM 607 CA ALA A 43 -1.302 -4.977 5.854 1.00 0.00 C ATOM 608 C ALA A 43 -2.155 -4.368 6.969 1.00 0.00 C ATOM 609 O ALA A 43 -2.002 -3.193 7.300 1.00 0.00 O ATOM 610 CB ALA A 43 -2.134 -5.372 4.633 1.00 0.00 C ATOM 0 HA ALA A 43 -0.590 -4.217 5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.656 -4.495 4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.478 -5.771 3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.862 -6.131 4.919 1.00 0.00 H new ATOM 616 N GLU A 44 -3.034 -5.194 7.516 1.00 0.00 N ATOM 617 CA GLU A 44 -3.911 -4.752 8.586 1.00 0.00 C ATOM 618 C GLU A 44 -3.091 -4.359 9.817 1.00 0.00 C ATOM 619 O GLU A 44 -3.366 -3.342 10.452 1.00 0.00 O ATOM 620 CB GLU A 44 -4.939 -5.830 8.934 1.00 0.00 C ATOM 621 CG GLU A 44 -5.867 -5.362 10.057 1.00 0.00 C ATOM 622 CD GLU A 44 -5.791 -6.304 11.260 1.00 0.00 C ATOM 623 OE1 GLU A 44 -6.581 -7.272 11.274 1.00 0.00 O ATOM 624 OE2 GLU A 44 -4.944 -6.035 12.139 1.00 0.00 O ATOM 0 H GLU A 44 -3.158 -6.168 7.238 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.457 -3.874 8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.527 -6.075 8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.426 -6.742 9.238 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.593 -4.353 10.363 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.893 -5.316 9.691 1.00 0.00 H new ATOM 631 N ALA A 45 -2.100 -5.185 10.116 1.00 0.00 N ATOM 632 CA ALA A 45 -1.238 -4.937 11.259 1.00 0.00 C ATOM 633 C ALA A 45 -0.795 -3.473 11.250 1.00 0.00 C ATOM 634 O ALA A 45 -0.894 -2.784 12.264 1.00 0.00 O ATOM 635 CB ALA A 45 -0.053 -5.905 11.225 1.00 0.00 C ATOM 0 H ALA A 45 -1.874 -6.027 9.586 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.776 -5.113 12.190 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.594 -5.719 12.083 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.420 -6.931 11.263 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.512 -5.756 10.305 1.00 0.00 H new ATOM 641 N ALA A 46 -0.316 -3.040 10.093 1.00 0.00 N ATOM 642 CA ALA A 46 0.143 -1.670 9.938 1.00 0.00 C ATOM 643 C ALA A 46 -1.052 -0.721 10.049 1.00 0.00 C ATOM 644 O ALA A 46 -1.435 -0.325 11.149 1.00 0.00 O ATOM 645 CB ALA A 46 0.880 -1.526 8.605 1.00 0.00 C ATOM 0 H ALA A 46 -0.236 -3.614 9.254 1.00 0.00 H new ATOM 0 HA ALA A 46 0.846 -1.409 10.729 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.224 -0.498 8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.737 -2.200 8.588 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.205 -1.777 7.787 1.00 0.00 H new ATOM 651 N ASP A 47 -1.609 -0.384 8.895 1.00 0.00 N ATOM 652 CA ASP A 47 -2.753 0.511 8.849 1.00 0.00 C ATOM 653 C ASP A 47 -3.290 0.572 7.418 1.00 0.00 C ATOM 654 O ASP A 47 -3.762 1.616 6.972 1.00 0.00 O ATOM 655 CB ASP A 47 -2.360 1.929 9.267 1.00 0.00 C ATOM 656 CG ASP A 47 -3.482 2.965 9.175 1.00 0.00 C ATOM 657 OD1 ASP A 47 -4.641 2.569 9.423 1.00 0.00 O ATOM 658 OD2 ASP A 47 -3.155 4.129 8.857 1.00 0.00 O ATOM 0 H ASP A 47 -1.289 -0.715 7.985 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.508 0.129 9.536 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.995 1.901 10.294 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.530 2.259 8.643 1.00 0.00 H new ATOM 663 N LEU A 48 -3.200 -0.562 6.737 1.00 0.00 N ATOM 664 CA LEU A 48 -3.671 -0.651 5.366 1.00 0.00 C ATOM 665 C LEU A 48 -5.137 -1.089 5.362 1.00 0.00 C ATOM 666 O LEU A 48 -5.483 -2.117 5.943 1.00 0.00 O ATOM 667 CB LEU A 48 -2.755 -1.559 4.543 1.00 0.00 C ATOM 668 CG LEU A 48 -3.027 -1.599 3.037 1.00 0.00 C ATOM 669 CD1 LEU A 48 -2.986 -0.193 2.435 1.00 0.00 C ATOM 670 CD2 LEU A 48 -2.063 -2.554 2.331 1.00 0.00 C ATOM 0 H LEU A 48 -2.808 -1.426 7.110 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.629 0.326 4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.725 -1.239 4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.836 -2.573 4.934 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.034 -1.986 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.182 -0.250 1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.745 0.429 2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.002 0.245 2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.278 -2.564 1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.038 -2.221 2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.186 -3.559 2.735 1.00 0.00 H new ATOM 682 N ARG A 49 -5.959 -0.288 4.700 1.00 0.00 N ATOM 683 CA ARG A 49 -7.380 -0.581 4.613 1.00 0.00 C ATOM 684 C ARG A 49 -7.826 -0.611 3.150 1.00 0.00 C ATOM 685 O ARG A 49 -7.165 -0.042 2.283 1.00 0.00 O ATOM 686 CB ARG A 49 -8.204 0.463 5.370 1.00 0.00 C ATOM 687 CG ARG A 49 -8.713 -0.100 6.698 1.00 0.00 C ATOM 688 CD ARG A 49 -9.188 1.023 7.623 1.00 0.00 C ATOM 689 NE ARG A 49 -8.082 1.450 8.509 1.00 0.00 N ATOM 690 CZ ARG A 49 -8.252 2.151 9.638 1.00 0.00 C ATOM 691 NH1 ARG A 49 -9.484 2.508 10.027 1.00 0.00 N ATOM 692 NH2 ARG A 49 -7.190 2.495 10.380 1.00 0.00 N ATOM 0 H ARG A 49 -5.669 0.563 4.219 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.547 -1.558 5.067 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.595 1.348 5.555 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.048 0.780 4.757 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.532 -0.794 6.513 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.919 -0.666 7.185 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.539 1.869 7.032 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.032 0.680 8.221 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.131 1.195 8.243 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.293 2.246 9.463 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.613 3.042 10.887 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.252 2.223 10.085 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.320 3.029 11.239 1.00 0.00 H new ATOM 706 N PRO A 50 -8.976 -1.298 2.914 1.00 0.00 N ATOM 707 CA PRO A 50 -9.519 -1.409 1.571 1.00 0.00 C ATOM 708 C PRO A 50 -10.173 -0.097 1.133 1.00 0.00 C ATOM 709 O PRO A 50 -11.087 0.396 1.793 1.00 0.00 O ATOM 710 CB PRO A 50 -10.501 -2.568 1.639 1.00 0.00 C ATOM 711 CG PRO A 50 -10.816 -2.762 3.113 1.00 0.00 C ATOM 712 CD PRO A 50 -9.786 -1.984 3.916 1.00 0.00 C ATOM 0 HA PRO A 50 -8.751 -1.598 0.821 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.405 -2.347 1.072 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.069 -3.472 1.210 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.822 -2.408 3.338 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.784 -3.820 3.374 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.264 -1.275 4.592 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.178 -2.649 4.530 1.00 0.00 H new ATOM 720 N GLY A 51 -9.679 0.432 0.024 1.00 0.00 N ATOM 721 CA GLY A 51 -10.203 1.677 -0.510 1.00 0.00 C ATOM 722 C GLY A 51 -9.127 2.765 -0.523 1.00 0.00 C ATOM 723 O GLY A 51 -9.268 3.775 -1.211 1.00 0.00 O ATOM 0 H GLY A 51 -8.921 0.021 -0.520 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.574 1.515 -1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.051 2.006 0.091 1.00 0.00 H new ATOM 727 N ASP A 52 -8.076 2.521 0.246 1.00 0.00 N ATOM 728 CA ASP A 52 -6.976 3.467 0.331 1.00 0.00 C ATOM 729 C ASP A 52 -6.328 3.615 -1.047 1.00 0.00 C ATOM 730 O ASP A 52 -5.901 2.630 -1.645 1.00 0.00 O ATOM 731 CB ASP A 52 -5.904 2.978 1.307 1.00 0.00 C ATOM 732 CG ASP A 52 -6.301 3.033 2.784 1.00 0.00 C ATOM 733 OD1 ASP A 52 -7.138 2.193 3.178 1.00 0.00 O ATOM 734 OD2 ASP A 52 -5.757 3.914 3.485 1.00 0.00 O ATOM 0 H ASP A 52 -7.963 1.682 0.816 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.376 4.419 0.681 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.645 1.950 1.054 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.005 3.577 1.165 1.00 0.00 H new ATOM 739 N ILE A 53 -6.277 4.856 -1.510 1.00 0.00 N ATOM 740 CA ILE A 53 -5.688 5.146 -2.807 1.00 0.00 C ATOM 741 C ILE A 53 -4.166 5.220 -2.666 1.00 0.00 C ATOM 742 O ILE A 53 -3.641 6.135 -2.034 1.00 0.00 O ATOM 743 CB ILE A 53 -6.312 6.407 -3.408 1.00 0.00 C ATOM 744 CG1 ILE A 53 -7.790 6.185 -3.735 1.00 0.00 C ATOM 745 CG2 ILE A 53 -5.521 6.882 -4.628 1.00 0.00 C ATOM 746 CD1 ILE A 53 -8.502 7.516 -3.988 1.00 0.00 C ATOM 0 H ILE A 53 -6.633 5.671 -1.011 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.904 4.344 -3.512 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.263 7.201 -2.663 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.880 5.548 -4.615 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.274 5.661 -2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.986 7.780 -5.036 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.496 7.106 -4.332 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.517 6.099 -5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.551 7.330 -4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.431 8.141 -3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.031 8.026 -4.828 1.00 0.00 H new ATOM 758 N ILE A 54 -3.501 4.244 -3.266 1.00 0.00 N ATOM 759 CA ILE A 54 -2.050 4.187 -3.216 1.00 0.00 C ATOM 760 C ILE A 54 -1.469 5.293 -4.099 1.00 0.00 C ATOM 761 O ILE A 54 -1.578 5.238 -5.323 1.00 0.00 O ATOM 762 CB ILE A 54 -1.556 2.786 -3.582 1.00 0.00 C ATOM 763 CG1 ILE A 54 -1.640 1.843 -2.379 1.00 0.00 C ATOM 764 CG2 ILE A 54 -0.145 2.838 -4.171 1.00 0.00 C ATOM 765 CD1 ILE A 54 -1.629 0.380 -2.828 1.00 0.00 C ATOM 0 H ILE A 54 -3.940 3.486 -3.789 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.697 4.370 -2.201 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.212 2.384 -4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.801 2.028 -1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.550 2.047 -1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.182 1.829 -4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.149 3.453 -5.071 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.539 3.269 -3.440 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.690 -0.269 -1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.483 0.193 -3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.707 0.173 -3.371 1.00 0.00 H new ATOM 777 N VAL A 55 -0.865 6.273 -3.443 1.00 0.00 N ATOM 778 CA VAL A 55 -0.267 7.391 -4.153 1.00 0.00 C ATOM 779 C VAL A 55 1.082 6.960 -4.731 1.00 0.00 C ATOM 780 O VAL A 55 1.367 7.206 -5.902 1.00 0.00 O ATOM 781 CB VAL A 55 -0.159 8.603 -3.225 1.00 0.00 C ATOM 782 CG1 VAL A 55 -0.248 9.909 -4.017 1.00 0.00 C ATOM 783 CG2 VAL A 55 -1.227 8.552 -2.130 1.00 0.00 C ATOM 0 H VAL A 55 -0.777 6.316 -2.428 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.898 7.693 -4.989 1.00 0.00 H new ATOM 0 HB VAL A 55 0.818 8.570 -2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.169 10.755 -3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.565 9.951 -4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.203 9.953 -4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.128 9.425 -1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.217 8.549 -2.587 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.098 7.646 -1.538 1.00 0.00 H new ATOM 793 N ALA A 56 1.877 6.324 -3.884 1.00 0.00 N ATOM 794 CA ALA A 56 3.190 5.855 -4.296 1.00 0.00 C ATOM 795 C ALA A 56 3.447 4.473 -3.692 1.00 0.00 C ATOM 796 O ALA A 56 2.652 3.985 -2.891 1.00 0.00 O ATOM 797 CB ALA A 56 4.250 6.878 -3.883 1.00 0.00 C ATOM 0 H ALA A 56 1.638 6.122 -2.913 1.00 0.00 H new ATOM 0 HA ALA A 56 3.238 5.754 -5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.235 6.527 -4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.039 7.834 -4.362 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.233 7.003 -2.800 1.00 0.00 H new ATOM 803 N ILE A 57 4.560 3.882 -4.100 1.00 0.00 N ATOM 804 CA ILE A 57 4.931 2.566 -3.609 1.00 0.00 C ATOM 805 C ILE A 57 6.393 2.589 -3.157 1.00 0.00 C ATOM 806 O ILE A 57 7.303 2.541 -3.984 1.00 0.00 O ATOM 807 CB ILE A 57 4.629 1.497 -4.661 1.00 0.00 C ATOM 808 CG1 ILE A 57 3.123 1.375 -4.902 1.00 0.00 C ATOM 809 CG2 ILE A 57 5.259 0.156 -4.277 1.00 0.00 C ATOM 810 CD1 ILE A 57 2.824 0.345 -5.993 1.00 0.00 C ATOM 0 H ILE A 57 5.217 4.290 -4.765 1.00 0.00 H new ATOM 0 HA ILE A 57 4.332 2.301 -2.738 1.00 0.00 H new ATOM 0 HB ILE A 57 5.082 1.807 -5.603 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.625 1.085 -3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.718 2.345 -5.191 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.029 -0.586 -5.041 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.340 0.271 -4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.857 -0.174 -3.319 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.747 0.278 -6.145 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.303 0.651 -6.923 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.209 -0.629 -5.690 1.00 0.00 H new ATOM 822 N ASN A 58 6.573 2.661 -1.847 1.00 0.00 N ATOM 823 CA ASN A 58 7.909 2.691 -1.275 1.00 0.00 C ATOM 824 C ASN A 58 8.552 4.049 -1.563 1.00 0.00 C ATOM 825 O ASN A 58 9.738 4.246 -1.302 1.00 0.00 O ATOM 826 CB ASN A 58 8.795 1.607 -1.892 1.00 0.00 C ATOM 827 CG ASN A 58 9.442 0.745 -0.806 1.00 0.00 C ATOM 828 OD1 ASN A 58 9.747 1.199 0.284 1.00 0.00 O ATOM 829 ND2 ASN A 58 9.634 -0.522 -1.164 1.00 0.00 N ATOM 0 H ASN A 58 5.816 2.699 -1.164 1.00 0.00 H new ATOM 0 HA ASN A 58 7.822 2.518 -0.202 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.199 0.978 -2.554 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.569 2.070 -2.504 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.060 -1.178 -0.509 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.355 -0.837 -2.093 1.00 0.00 H new ATOM 836 N GLY A 59 7.741 4.950 -2.098 1.00 0.00 N ATOM 837 CA GLY A 59 8.217 6.284 -2.424 1.00 0.00 C ATOM 838 C GLY A 59 8.155 6.534 -3.932 1.00 0.00 C ATOM 839 O GLY A 59 8.550 7.599 -4.405 1.00 0.00 O ATOM 0 H GLY A 59 6.758 4.783 -2.314 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.613 7.027 -1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.242 6.404 -2.074 1.00 0.00 H new ATOM 843 N GLN A 60 7.656 5.535 -4.646 1.00 0.00 N ATOM 844 CA GLN A 60 7.537 5.634 -6.090 1.00 0.00 C ATOM 845 C GLN A 60 6.077 5.860 -6.489 1.00 0.00 C ATOM 846 O GLN A 60 5.222 5.013 -6.232 1.00 0.00 O ATOM 847 CB GLN A 60 8.106 4.389 -6.774 1.00 0.00 C ATOM 848 CG GLN A 60 7.713 4.347 -8.252 1.00 0.00 C ATOM 849 CD GLN A 60 8.953 4.283 -9.147 1.00 0.00 C ATOM 850 OE1 GLN A 60 9.478 3.224 -9.449 1.00 0.00 O ATOM 851 NE2 GLN A 60 9.389 5.472 -9.553 1.00 0.00 N ATOM 0 H GLN A 60 7.330 4.653 -4.251 1.00 0.00 H new ATOM 0 HA GLN A 60 8.121 6.491 -6.425 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.192 4.384 -6.683 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.740 3.494 -6.271 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.080 3.480 -8.439 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.125 5.231 -8.501 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.902 6.320 -9.263 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.210 5.536 -10.155 1.00 0.00 H new ATOM 860 N SER A 61 5.837 7.005 -7.110 1.00 0.00 N ATOM 861 CA SER A 61 4.495 7.352 -7.547 1.00 0.00 C ATOM 862 C SER A 61 3.782 6.110 -8.086 1.00 0.00 C ATOM 863 O SER A 61 4.400 5.268 -8.735 1.00 0.00 O ATOM 864 CB SER A 61 4.529 8.449 -8.613 1.00 0.00 C ATOM 865 OG SER A 61 4.407 9.750 -8.044 1.00 0.00 O ATOM 0 H SER A 61 6.549 7.704 -7.321 1.00 0.00 H new ATOM 0 HA SER A 61 3.944 7.735 -6.688 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.463 8.383 -9.171 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.720 8.288 -9.325 1.00 0.00 H new ATOM 0 HG SER A 61 4.435 10.422 -8.756 1.00 0.00 H new ATOM 871 N ALA A 62 2.491 6.036 -7.797 1.00 0.00 N ATOM 872 CA ALA A 62 1.688 4.911 -8.244 1.00 0.00 C ATOM 873 C ALA A 62 0.516 5.428 -9.081 1.00 0.00 C ATOM 874 O ALA A 62 -0.328 4.649 -9.522 1.00 0.00 O ATOM 875 CB ALA A 62 1.225 4.099 -7.033 1.00 0.00 C ATOM 0 H ALA A 62 1.981 6.737 -7.259 1.00 0.00 H new ATOM 0 HA ALA A 62 2.278 4.246 -8.875 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.623 3.255 -7.369 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.094 3.730 -6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.628 4.732 -6.377 1.00 0.00 H new ATOM 881 N GLU A 63 0.501 6.739 -9.275 1.00 0.00 N ATOM 882 CA GLU A 63 -0.554 7.369 -10.051 1.00 0.00 C ATOM 883 C GLU A 63 -0.629 6.747 -11.447 1.00 0.00 C ATOM 884 O GLU A 63 -1.713 6.614 -12.013 1.00 0.00 O ATOM 885 CB GLU A 63 -0.343 8.882 -10.135 1.00 0.00 C ATOM 886 CG GLU A 63 -1.608 9.636 -9.721 1.00 0.00 C ATOM 887 CD GLU A 63 -2.004 10.667 -10.780 1.00 0.00 C ATOM 888 OE1 GLU A 63 -1.103 11.426 -11.197 1.00 0.00 O ATOM 889 OE2 GLU A 63 -3.198 10.672 -11.148 1.00 0.00 O ATOM 0 H GLU A 63 1.203 7.382 -8.908 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.504 7.195 -9.546 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.486 9.173 -9.490 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.067 9.158 -11.153 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.425 8.929 -9.573 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.442 10.135 -8.766 1.00 0.00 H new ATOM 896 N ASN A 64 0.536 6.383 -11.961 1.00 0.00 N ATOM 897 CA ASN A 64 0.616 5.778 -13.280 1.00 0.00 C ATOM 898 C ASN A 64 1.274 4.402 -13.166 1.00 0.00 C ATOM 899 O ASN A 64 2.345 4.174 -13.726 1.00 0.00 O ATOM 900 CB ASN A 64 1.464 6.631 -14.226 1.00 0.00 C ATOM 901 CG ASN A 64 2.754 7.089 -13.544 1.00 0.00 C ATOM 902 OD1 ASN A 64 3.203 6.521 -12.562 1.00 0.00 O ATOM 903 ND2 ASN A 64 3.323 8.146 -14.117 1.00 0.00 N ATOM 0 H ASN A 64 1.433 6.495 -11.488 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.396 5.697 -13.676 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.706 6.057 -15.121 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.891 7.500 -14.550 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.188 8.529 -13.736 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.894 8.574 -14.938 1.00 0.00 H new ATOM 910 N MET A 65 0.605 3.520 -12.439 1.00 0.00 N ATOM 911 CA MET A 65 1.111 2.172 -12.244 1.00 0.00 C ATOM 912 C MET A 65 0.108 1.131 -12.748 1.00 0.00 C ATOM 913 O MET A 65 -1.072 1.185 -12.404 1.00 0.00 O ATOM 914 CB MET A 65 1.386 1.938 -10.758 1.00 0.00 C ATOM 915 CG MET A 65 2.829 2.303 -10.403 1.00 0.00 C ATOM 916 SD MET A 65 3.185 1.821 -8.722 1.00 0.00 S ATOM 917 CE MET A 65 4.895 2.320 -8.612 1.00 0.00 C ATOM 0 H MET A 65 -0.284 3.713 -11.977 1.00 0.00 H new ATOM 0 HA MET A 65 2.034 2.066 -12.814 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.698 2.535 -10.159 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.200 0.893 -10.510 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.517 1.805 -11.086 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.981 3.376 -10.522 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.512 1.454 -8.371 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.214 2.738 -9.567 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.005 3.073 -7.831 1.00 0.00 H new ATOM 927 N LEU A 66 0.614 0.209 -13.553 1.00 0.00 N ATOM 928 CA LEU A 66 -0.223 -0.841 -14.107 1.00 0.00 C ATOM 929 C LEU A 66 -0.589 -1.832 -13.000 1.00 0.00 C ATOM 930 O LEU A 66 0.178 -2.028 -12.058 1.00 0.00 O ATOM 931 CB LEU A 66 0.460 -1.491 -15.312 1.00 0.00 C ATOM 932 CG LEU A 66 1.093 -0.531 -16.322 1.00 0.00 C ATOM 933 CD1 LEU A 66 2.348 -1.143 -16.948 1.00 0.00 C ATOM 934 CD2 LEU A 66 0.076 -0.101 -17.381 1.00 0.00 C ATOM 0 H LEU A 66 1.593 0.167 -13.835 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.157 -0.424 -14.485 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.235 -2.165 -14.946 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.275 -2.104 -15.834 1.00 0.00 H new ATOM 0 HG LEU A 66 1.404 0.368 -15.790 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.778 -0.440 -17.662 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.077 -1.358 -16.166 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.084 -2.067 -17.462 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.551 0.581 -18.086 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.287 -0.979 -17.914 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.761 0.402 -16.898 1.00 0.00 H new ATOM 946 N HIS A 67 -1.761 -2.432 -13.151 1.00 0.00 N ATOM 947 CA HIS A 67 -2.238 -3.398 -12.175 1.00 0.00 C ATOM 948 C HIS A 67 -1.185 -4.491 -11.979 1.00 0.00 C ATOM 949 O HIS A 67 -1.181 -5.177 -10.958 1.00 0.00 O ATOM 950 CB HIS A 67 -3.602 -3.955 -12.586 1.00 0.00 C ATOM 951 CG HIS A 67 -4.277 -4.777 -11.514 1.00 0.00 C ATOM 952 ND1 HIS A 67 -5.245 -4.260 -10.671 1.00 0.00 N ATOM 953 CD2 HIS A 67 -4.115 -6.084 -11.157 1.00 0.00 C ATOM 954 CE1 HIS A 67 -5.640 -5.220 -9.848 1.00 0.00 C ATOM 955 NE2 HIS A 67 -4.938 -6.350 -10.150 1.00 0.00 N ATOM 0 H HIS A 67 -2.394 -2.268 -13.934 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.386 -2.908 -11.213 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.255 -3.126 -12.859 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.478 -4.570 -13.477 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.595 -3.302 -10.682 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.432 -6.784 -11.616 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.387 -5.125 -9.074 1.00 0.00 H new ATOM 963 N ALA A 68 -0.319 -4.620 -12.973 1.00 0.00 N ATOM 964 CA ALA A 68 0.735 -5.618 -12.922 1.00 0.00 C ATOM 965 C ALA A 68 2.002 -4.986 -12.343 1.00 0.00 C ATOM 966 O ALA A 68 2.856 -5.685 -11.800 1.00 0.00 O ATOM 967 CB ALA A 68 0.959 -6.196 -14.321 1.00 0.00 C ATOM 0 H ALA A 68 -0.326 -4.050 -13.819 1.00 0.00 H new ATOM 0 HA ALA A 68 0.451 -6.444 -12.270 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.750 -6.945 -14.283 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.038 -6.659 -14.675 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.249 -5.397 -15.003 1.00 0.00 H new ATOM 973 N GLU A 69 2.084 -3.670 -12.478 1.00 0.00 N ATOM 974 CA GLU A 69 3.232 -2.936 -11.974 1.00 0.00 C ATOM 975 C GLU A 69 3.204 -2.891 -10.445 1.00 0.00 C ATOM 976 O GLU A 69 4.112 -3.398 -9.788 1.00 0.00 O ATOM 977 CB GLU A 69 3.283 -1.526 -12.564 1.00 0.00 C ATOM 978 CG GLU A 69 3.695 -1.562 -14.037 1.00 0.00 C ATOM 979 CD GLU A 69 5.108 -1.006 -14.225 1.00 0.00 C ATOM 980 OE1 GLU A 69 6.059 -1.788 -14.007 1.00 0.00 O ATOM 981 OE2 GLU A 69 5.206 0.188 -14.581 1.00 0.00 O ATOM 0 H GLU A 69 1.374 -3.093 -12.929 1.00 0.00 H new ATOM 0 HA GLU A 69 4.137 -3.457 -12.285 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.306 -1.052 -12.468 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.990 -0.917 -12.000 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.652 -2.587 -14.405 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.989 -0.980 -14.630 1.00 0.00 H new ATOM 988 N ALA A 70 2.152 -2.278 -9.922 1.00 0.00 N ATOM 989 CA ALA A 70 1.993 -2.160 -8.483 1.00 0.00 C ATOM 990 C ALA A 70 2.107 -3.546 -7.846 1.00 0.00 C ATOM 991 O ALA A 70 2.641 -3.686 -6.746 1.00 0.00 O ATOM 992 CB ALA A 70 0.658 -1.482 -8.170 1.00 0.00 C ATOM 0 H ALA A 70 1.401 -1.858 -10.470 1.00 0.00 H new ATOM 0 HA ALA A 70 2.781 -1.537 -8.060 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.539 -1.394 -7.090 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.640 -0.489 -8.619 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.158 -2.079 -8.577 1.00 0.00 H new ATOM 998 N GLN A 71 1.597 -4.536 -8.564 1.00 0.00 N ATOM 999 CA GLN A 71 1.635 -5.906 -8.082 1.00 0.00 C ATOM 1000 C GLN A 71 3.083 -6.385 -7.957 1.00 0.00 C ATOM 1001 O GLN A 71 3.460 -6.974 -6.945 1.00 0.00 O ATOM 1002 CB GLN A 71 0.829 -6.831 -8.996 1.00 0.00 C ATOM 1003 CG GLN A 71 -0.623 -6.938 -8.526 1.00 0.00 C ATOM 1004 CD GLN A 71 -0.700 -7.524 -7.115 1.00 0.00 C ATOM 1005 OE1 GLN A 71 0.289 -7.932 -6.529 1.00 0.00 O ATOM 1006 NE2 GLN A 71 -1.928 -7.543 -6.603 1.00 0.00 N ATOM 0 H GLN A 71 1.155 -4.417 -9.476 1.00 0.00 H new ATOM 0 HA GLN A 71 1.176 -5.936 -7.094 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.857 -6.453 -10.018 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.284 -7.821 -9.010 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.087 -5.952 -8.540 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.187 -7.566 -9.216 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.713 -7.186 -7.147 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.084 -7.915 -5.666 1.00 0.00 H new ATOM 1015 N SER A 72 3.854 -6.114 -8.999 1.00 0.00 N ATOM 1016 CA SER A 72 5.252 -6.510 -9.018 1.00 0.00 C ATOM 1017 C SER A 72 6.036 -5.714 -7.973 1.00 0.00 C ATOM 1018 O SER A 72 6.580 -6.287 -7.030 1.00 0.00 O ATOM 1019 CB SER A 72 5.863 -6.309 -10.406 1.00 0.00 C ATOM 1020 OG SER A 72 7.229 -6.711 -10.452 1.00 0.00 O ATOM 0 H SER A 72 3.538 -5.625 -9.836 1.00 0.00 H new ATOM 0 HA SER A 72 5.310 -7.571 -8.776 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.293 -6.879 -11.139 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.785 -5.259 -10.688 1.00 0.00 H new ATOM 0 HG SER A 72 7.582 -6.568 -11.355 1.00 0.00 H new ATOM 1026 N LYS A 73 6.068 -4.405 -8.175 1.00 0.00 N ATOM 1027 CA LYS A 73 6.776 -3.524 -7.262 1.00 0.00 C ATOM 1028 C LYS A 73 6.521 -3.976 -5.823 1.00 0.00 C ATOM 1029 O LYS A 73 7.460 -4.274 -5.086 1.00 0.00 O ATOM 1030 CB LYS A 73 6.398 -2.064 -7.524 1.00 0.00 C ATOM 1031 CG LYS A 73 7.451 -1.373 -8.393 1.00 0.00 C ATOM 1032 CD LYS A 73 6.812 -0.742 -9.631 1.00 0.00 C ATOM 1033 CE LYS A 73 7.579 0.508 -10.068 1.00 0.00 C ATOM 1034 NZ LYS A 73 8.689 0.143 -10.977 1.00 0.00 N ATOM 0 H LYS A 73 5.615 -3.933 -8.958 1.00 0.00 H new ATOM 0 HA LYS A 73 7.851 -3.586 -7.430 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.427 -2.019 -8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.299 -1.535 -6.576 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.961 -0.605 -7.811 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.207 -2.096 -8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.796 -1.466 -10.445 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.776 -0.481 -9.416 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.903 1.200 -10.570 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.973 1.025 -9.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.199 1.002 -11.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.343 -0.500 -10.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.306 -0.330 -11.820 1.00 0.00 H new ATOM 1048 N ILE A 74 5.246 -4.013 -5.466 1.00 0.00 N ATOM 1049 CA ILE A 74 4.855 -4.424 -4.128 1.00 0.00 C ATOM 1050 C ILE A 74 5.551 -5.742 -3.780 1.00 0.00 C ATOM 1051 O ILE A 74 6.384 -5.788 -2.877 1.00 0.00 O ATOM 1052 CB ILE A 74 3.331 -4.484 -4.009 1.00 0.00 C ATOM 1053 CG1 ILE A 74 2.713 -3.094 -4.178 1.00 0.00 C ATOM 1054 CG2 ILE A 74 2.909 -5.143 -2.695 1.00 0.00 C ATOM 1055 CD1 ILE A 74 1.227 -3.194 -4.529 1.00 0.00 C ATOM 0 H ILE A 74 4.470 -3.765 -6.080 1.00 0.00 H new ATOM 0 HA ILE A 74 5.180 -3.687 -3.394 1.00 0.00 H new ATOM 0 HB ILE A 74 2.949 -5.107 -4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.835 -2.523 -3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.240 -2.551 -4.962 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.821 -5.173 -2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.303 -6.159 -2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.302 -4.568 -1.857 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.812 -2.193 -4.644 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.110 -3.744 -5.463 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.699 -3.716 -3.731 1.00 0.00 H new ATOM 1067 N ARG A 75 5.183 -6.780 -4.516 1.00 0.00 N ATOM 1068 CA ARG A 75 5.762 -8.095 -4.297 1.00 0.00 C ATOM 1069 C ARG A 75 7.268 -7.979 -4.058 1.00 0.00 C ATOM 1070 O ARG A 75 7.771 -8.407 -3.020 1.00 0.00 O ATOM 1071 CB ARG A 75 5.511 -9.014 -5.495 1.00 0.00 C ATOM 1072 CG ARG A 75 4.870 -10.330 -5.052 1.00 0.00 C ATOM 1073 CD ARG A 75 3.590 -10.610 -5.842 1.00 0.00 C ATOM 1074 NE ARG A 75 2.408 -10.194 -5.054 1.00 0.00 N ATOM 1075 CZ ARG A 75 1.860 -10.930 -4.078 1.00 0.00 C ATOM 1076 NH1 ARG A 75 2.383 -12.123 -3.763 1.00 0.00 N ATOM 1077 NH2 ARG A 75 0.788 -10.473 -3.416 1.00 0.00 N ATOM 0 H ARG A 75 4.491 -6.738 -5.264 1.00 0.00 H new ATOM 0 HA ARG A 75 5.284 -8.525 -3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.862 -8.513 -6.213 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.452 -9.218 -6.005 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.576 -11.148 -5.194 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.642 -10.287 -3.987 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.613 -10.073 -6.790 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.524 -11.672 -6.079 1.00 0.00 H new ATOM 0 HE ARG A 75 1.985 -9.291 -5.267 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.199 -12.471 -4.266 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.965 -12.683 -3.020 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.390 -9.565 -3.655 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.371 -11.033 -2.673 1.00 0.00 H new ATOM 1091 N GLN A 76 7.947 -7.398 -5.036 1.00 0.00 N ATOM 1092 CA GLN A 76 9.387 -7.220 -4.945 1.00 0.00 C ATOM 1093 C GLN A 76 9.743 -6.408 -3.699 1.00 0.00 C ATOM 1094 O GLN A 76 10.815 -6.588 -3.122 1.00 0.00 O ATOM 1095 CB GLN A 76 9.938 -6.556 -6.209 1.00 0.00 C ATOM 1096 CG GLN A 76 9.645 -7.406 -7.447 1.00 0.00 C ATOM 1097 CD GLN A 76 10.937 -7.771 -8.180 1.00 0.00 C ATOM 1098 OE1 GLN A 76 11.995 -7.919 -7.591 1.00 0.00 O ATOM 1099 NE2 GLN A 76 10.793 -7.906 -9.495 1.00 0.00 N ATOM 0 H GLN A 76 7.527 -7.044 -5.896 1.00 0.00 H new ATOM 0 HA GLN A 76 9.851 -8.203 -4.859 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.493 -5.568 -6.328 1.00 0.00 H new ATOM 0 HB3 GLN A 76 11.014 -6.412 -6.109 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.121 -8.315 -7.152 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.983 -6.860 -8.119 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.878 -7.768 -9.925 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.597 -8.148 -10.074 1.00 0.00 H new ATOM 1108 N SER A 77 8.825 -5.532 -3.320 1.00 0.00 N ATOM 1109 CA SER A 77 9.029 -4.691 -2.152 1.00 0.00 C ATOM 1110 C SER A 77 9.373 -5.557 -0.938 1.00 0.00 C ATOM 1111 O SER A 77 8.819 -6.641 -0.768 1.00 0.00 O ATOM 1112 CB SER A 77 7.792 -3.839 -1.863 1.00 0.00 C ATOM 1113 OG SER A 77 8.133 -2.580 -1.289 1.00 0.00 O ATOM 0 H SER A 77 7.937 -5.386 -3.801 1.00 0.00 H new ATOM 0 HA SER A 77 9.860 -4.017 -2.357 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.239 -3.678 -2.788 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.130 -4.379 -1.186 1.00 0.00 H new ATOM 0 HG SER A 77 8.152 -2.660 -0.312 1.00 0.00 H new ATOM 1119 N ALA A 78 10.285 -5.044 -0.125 1.00 0.00 N ATOM 1120 CA ALA A 78 10.709 -5.757 1.068 1.00 0.00 C ATOM 1121 C ALA A 78 9.948 -5.213 2.279 1.00 0.00 C ATOM 1122 O ALA A 78 9.011 -4.431 2.128 1.00 0.00 O ATOM 1123 CB ALA A 78 12.225 -5.631 1.227 1.00 0.00 C ATOM 0 H ALA A 78 10.742 -4.143 -0.269 1.00 0.00 H new ATOM 0 HA ALA A 78 10.478 -6.819 0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.543 -6.166 2.122 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.719 -6.058 0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.495 -4.579 1.318 1.00 0.00 H new ATOM 1129 N SER A 79 10.381 -5.647 3.454 1.00 0.00 N ATOM 1130 CA SER A 79 9.753 -5.213 4.690 1.00 0.00 C ATOM 1131 C SER A 79 10.724 -4.349 5.495 1.00 0.00 C ATOM 1132 O SER A 79 11.907 -4.671 5.601 1.00 0.00 O ATOM 1133 CB SER A 79 9.291 -6.411 5.523 1.00 0.00 C ATOM 1134 OG SER A 79 10.288 -6.831 6.451 1.00 0.00 O ATOM 0 H SER A 79 11.159 -6.295 3.576 1.00 0.00 H new ATOM 0 HA SER A 79 8.874 -4.620 4.437 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.381 -6.148 6.062 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.041 -7.239 4.860 1.00 0.00 H new ATOM 0 HG SER A 79 9.955 -7.596 6.965 1.00 0.00 H new ATOM 1140 N PRO A 80 10.176 -3.238 6.057 1.00 0.00 N ATOM 1141 CA PRO A 80 8.767 -2.930 5.883 1.00 0.00 C ATOM 1142 C PRO A 80 8.493 -2.395 4.475 1.00 0.00 C ATOM 1143 O PRO A 80 9.410 -1.955 3.785 1.00 0.00 O ATOM 1144 CB PRO A 80 8.447 -1.921 6.974 1.00 0.00 C ATOM 1145 CG PRO A 80 9.784 -1.353 7.421 1.00 0.00 C ATOM 1146 CD PRO A 80 10.880 -2.251 6.870 1.00 0.00 C ATOM 0 HA PRO A 80 8.130 -3.810 5.973 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.794 -1.133 6.598 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.927 -2.397 7.806 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.907 -0.333 7.056 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.836 -1.311 8.509 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.594 -1.684 6.274 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.442 -2.728 7.673 1.00 0.00 H new ATOM 1154 N LEU A 81 7.226 -2.452 4.092 1.00 0.00 N ATOM 1155 CA LEU A 81 6.819 -1.980 2.779 1.00 0.00 C ATOM 1156 C LEU A 81 6.107 -0.633 2.925 1.00 0.00 C ATOM 1157 O LEU A 81 4.971 -0.575 3.393 1.00 0.00 O ATOM 1158 CB LEU A 81 5.984 -3.042 2.062 1.00 0.00 C ATOM 1159 CG LEU A 81 4.912 -2.519 1.104 1.00 0.00 C ATOM 1160 CD1 LEU A 81 5.546 -1.906 -0.146 1.00 0.00 C ATOM 1161 CD2 LEU A 81 3.904 -3.616 0.757 1.00 0.00 C ATOM 0 H LEU A 81 6.468 -2.818 4.668 1.00 0.00 H new ATOM 0 HA LEU A 81 7.691 -1.814 2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.659 -3.689 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.498 -3.663 2.815 1.00 0.00 H new ATOM 0 HG LEU A 81 4.362 -1.725 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.762 -1.542 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.191 -1.076 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.137 -2.662 -0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.153 -3.218 0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.422 -4.448 0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.418 -3.965 1.668 1.00 0.00 H new ATOM 1173 N ARG A 82 6.805 0.416 2.516 1.00 0.00 N ATOM 1174 CA ARG A 82 6.254 1.758 2.595 1.00 0.00 C ATOM 1175 C ARG A 82 5.278 2.000 1.441 1.00 0.00 C ATOM 1176 O ARG A 82 5.615 1.774 0.280 1.00 0.00 O ATOM 1177 CB ARG A 82 7.362 2.813 2.546 1.00 0.00 C ATOM 1178 CG ARG A 82 7.441 3.586 3.863 1.00 0.00 C ATOM 1179 CD ARG A 82 8.587 4.600 3.835 1.00 0.00 C ATOM 1180 NE ARG A 82 9.882 3.896 3.700 1.00 0.00 N ATOM 1181 CZ ARG A 82 10.429 3.549 2.527 1.00 0.00 C ATOM 1182 NH1 ARG A 82 9.797 3.837 1.381 1.00 0.00 N ATOM 1183 NH2 ARG A 82 11.608 2.912 2.499 1.00 0.00 N ATOM 0 H ARG A 82 7.747 0.364 2.129 1.00 0.00 H new ATOM 0 HA ARG A 82 5.728 1.844 3.546 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.319 2.331 2.345 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.174 3.505 1.725 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.498 4.102 4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.586 2.890 4.689 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.451 5.292 3.004 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.580 5.194 4.749 1.00 0.00 H new ATOM 0 HE ARG A 82 10.390 3.660 4.553 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.899 4.321 1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.214 3.573 0.488 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.089 2.691 3.371 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.024 2.648 1.606 1.00 0.00 H new ATOM 1197 N LEU A 83 4.088 2.457 1.802 1.00 0.00 N ATOM 1198 CA LEU A 83 3.060 2.732 0.812 1.00 0.00 C ATOM 1199 C LEU A 83 2.344 4.035 1.174 1.00 0.00 C ATOM 1200 O LEU A 83 1.771 4.151 2.256 1.00 0.00 O ATOM 1201 CB LEU A 83 2.121 1.533 0.667 1.00 0.00 C ATOM 1202 CG LEU A 83 2.727 0.279 0.035 1.00 0.00 C ATOM 1203 CD1 LEU A 83 1.803 -0.927 0.216 1.00 0.00 C ATOM 1204 CD2 LEU A 83 3.074 0.519 -1.436 1.00 0.00 C ATOM 0 H LEU A 83 3.813 2.644 2.766 1.00 0.00 H new ATOM 0 HA LEU A 83 3.507 2.877 -0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.743 1.271 1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.263 1.839 0.068 1.00 0.00 H new ATOM 0 HG LEU A 83 3.659 0.052 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.257 -1.805 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.649 -1.111 1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.843 -0.725 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.503 -0.388 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.170 0.785 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.796 1.332 -1.512 1.00 0.00 H new ATOM 1216 N GLN A 84 2.400 4.981 0.249 1.00 0.00 N ATOM 1217 CA GLN A 84 1.764 6.270 0.457 1.00 0.00 C ATOM 1218 C GLN A 84 0.294 6.211 0.037 1.00 0.00 C ATOM 1219 O GLN A 84 -0.013 5.989 -1.133 1.00 0.00 O ATOM 1220 CB GLN A 84 2.505 7.376 -0.297 1.00 0.00 C ATOM 1221 CG GLN A 84 2.250 8.742 0.343 1.00 0.00 C ATOM 1222 CD GLN A 84 2.697 9.874 -0.585 1.00 0.00 C ATOM 1223 OE1 GLN A 84 3.866 10.027 -0.901 1.00 0.00 O ATOM 1224 NE2 GLN A 84 1.706 10.656 -1.002 1.00 0.00 N ATOM 0 H GLN A 84 2.877 4.880 -0.647 1.00 0.00 H new ATOM 0 HA GLN A 84 1.809 6.507 1.520 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.575 7.166 -0.300 1.00 0.00 H new ATOM 0 HB3 GLN A 84 2.181 7.392 -1.338 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.189 8.849 0.569 1.00 0.00 H new ATOM 0 HG3 GLN A 84 2.786 8.810 1.290 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.749 10.472 -0.699 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.902 11.440 -1.625 1.00 0.00 H new ATOM 1233 N LEU A 85 -0.577 6.413 1.016 1.00 0.00 N ATOM 1234 CA LEU A 85 -2.007 6.385 0.762 1.00 0.00 C ATOM 1235 C LEU A 85 -2.544 7.818 0.736 1.00 0.00 C ATOM 1236 O LEU A 85 -2.090 8.669 1.499 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.713 5.483 1.776 1.00 0.00 C ATOM 1238 CG LEU A 85 -2.016 4.159 2.096 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -2.678 3.464 3.288 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -1.962 3.255 0.863 1.00 0.00 C ATOM 0 H LEU A 85 -0.319 6.597 1.986 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.212 5.949 -0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.835 6.040 2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.713 5.263 1.402 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.987 4.376 2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.163 2.526 3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.620 4.110 4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.723 3.261 3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.462 2.321 1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.976 3.043 0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.410 3.757 0.068 1.00 0.00 H new ATOM 1252 N ASP A 86 -3.502 8.040 -0.152 1.00 0.00 N ATOM 1253 CA ASP A 86 -4.105 9.355 -0.289 1.00 0.00 C ATOM 1254 C ASP A 86 -5.434 9.382 0.469 1.00 0.00 C ATOM 1255 O ASP A 86 -6.445 8.885 -0.025 1.00 0.00 O ATOM 1256 CB ASP A 86 -4.391 9.680 -1.756 1.00 0.00 C ATOM 1257 CG ASP A 86 -3.974 11.083 -2.200 1.00 0.00 C ATOM 1258 OD1 ASP A 86 -2.748 11.308 -2.293 1.00 0.00 O ATOM 1259 OD2 ASP A 86 -4.890 11.900 -2.437 1.00 0.00 O ATOM 0 H ASP A 86 -3.875 7.332 -0.784 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.408 10.090 0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.877 8.950 -2.381 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.459 9.560 -1.938 1.00 0.00 H new ATOM 1264 N ARG A 87 -5.390 9.968 1.656 1.00 0.00 N ATOM 1265 CA ARG A 87 -6.578 10.067 2.487 1.00 0.00 C ATOM 1266 C ARG A 87 -7.076 11.513 2.531 1.00 0.00 C ATOM 1267 O ARG A 87 -6.512 12.347 3.239 1.00 0.00 O ATOM 1268 CB ARG A 87 -6.295 9.589 3.913 1.00 0.00 C ATOM 1269 CG ARG A 87 -7.534 8.936 4.528 1.00 0.00 C ATOM 1270 CD ARG A 87 -7.238 8.418 5.937 1.00 0.00 C ATOM 1271 NE ARG A 87 -7.514 9.476 6.934 1.00 0.00 N ATOM 1272 CZ ARG A 87 -7.664 9.250 8.247 1.00 0.00 C ATOM 1273 NH1 ARG A 87 -7.566 8.004 8.728 1.00 0.00 N ATOM 1274 NH2 ARG A 87 -7.913 10.272 9.078 1.00 0.00 N ATOM 0 H ARG A 87 -4.550 10.379 2.063 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.344 9.428 2.047 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.470 8.876 3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.981 10.433 4.528 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.349 9.658 4.566 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.867 8.112 3.896 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.850 7.541 6.147 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.196 8.104 6.007 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.595 10.437 6.602 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.377 7.226 8.095 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.680 7.833 9.727 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.988 11.221 8.711 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.027 10.101 10.077 1.00 0.00 H new ATOM 1288 N SER A 88 -8.127 11.767 1.765 1.00 0.00 N ATOM 1289 CA SER A 88 -8.708 13.098 1.708 1.00 0.00 C ATOM 1290 C SER A 88 -10.216 13.022 1.955 1.00 0.00 C ATOM 1291 O SER A 88 -10.999 12.930 1.011 1.00 0.00 O ATOM 1292 CB SER A 88 -8.423 13.765 0.361 1.00 0.00 C ATOM 1293 OG SER A 88 -8.454 15.187 0.452 1.00 0.00 O ATOM 0 H SER A 88 -8.591 11.074 1.179 1.00 0.00 H new ATOM 0 HA SER A 88 -8.249 13.706 2.488 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.446 13.446 -0.002 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.159 13.432 -0.371 1.00 0.00 H new ATOM 0 HG SER A 88 -8.266 15.575 -0.428 1.00 0.00 H new