USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 587 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 47 TYR OH : rot 44:sc= -0.217 USER MOD Set 1.2: A 67 GLN : amide:sc= -0.983 K(o=-1.2,f=-0.23) USER MOD Set 2.1: A 18 SER OG : rot -11:sc= 0.709 USER MOD Set 2.2: A 21 THR OG1 : rot -130:sc= 1.27 USER MOD Single : A 1 TRP N :NH3+ -172:sc= 1.12 (180deg=0.978) USER MOD Single : A 5 CYS SG : rot 180:sc= -1.27 USER MOD Single : A 6 LYS NZ :NH3+ -115:sc= 1.4 (180deg=-0.666) USER MOD Single : A 11 THR OG1 : rot -30:sc= 0.25 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0512 K(o=-0.051,f=-1.8!) USER MOD Single : A 29 GLN : amide:sc= -0.3 X(o=-0.3,f=0) USER MOD Single : A 34 THR OG1 : rot -24:sc= 0.36 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.984 K(o=-0.98,f=-2.8) USER MOD Single : A 51 CYS SG : rot 180:sc= 0.083 USER MOD Single : A 55 SER OG : rot 180:sc= 0.00206 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 48:sc= 0.154 USER MOD Single : A 71 MET CE :methyl -177:sc= -1.89 (180deg=-1.91) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.552 0.274 -1.005 1.00 0.00 N ATOM 2 CA TRP A 1 2.489 0.296 -2.146 1.00 0.00 C ATOM 3 C TRP A 1 3.909 -0.011 -1.644 1.00 0.00 C ATOM 4 O TRP A 1 4.559 0.843 -1.029 1.00 0.00 O ATOM 5 CB TRP A 1 2.412 1.658 -2.902 1.00 0.00 C ATOM 6 CG TRP A 1 1.113 1.898 -3.658 1.00 0.00 C ATOM 7 CD1 TRP A 1 -0.067 1.207 -3.542 1.00 0.00 C ATOM 8 CD2 TRP A 1 0.879 2.906 -4.654 1.00 0.00 C ATOM 9 NE1 TRP A 1 -0.998 1.713 -4.410 1.00 0.00 N ATOM 10 CE2 TRP A 1 -0.446 2.758 -5.100 1.00 0.00 C ATOM 11 CE3 TRP A 1 1.662 3.925 -5.203 1.00 0.00 C ATOM 12 CZ2 TRP A 1 -1.002 3.582 -6.079 1.00 0.00 C ATOM 13 CZ3 TRP A 1 1.113 4.738 -6.177 1.00 0.00 C ATOM 14 CH2 TRP A 1 -0.211 4.568 -6.603 1.00 0.00 C ATOM 0 H1 TRP A 1 0.576 0.346 -1.356 1.00 0.00 H new ATOM 0 H2 TRP A 1 1.666 -0.616 -0.479 1.00 0.00 H new ATOM 0 H3 TRP A 1 1.753 1.076 -0.375 1.00 0.00 H new ATOM 0 HA TRP A 1 2.209 -0.474 -2.865 1.00 0.00 H new ATOM 0 HB2 TRP A 1 2.551 2.465 -2.182 1.00 0.00 H new ATOM 0 HB3 TRP A 1 3.241 1.713 -3.607 1.00 0.00 H new ATOM 0 HD1 TRP A 1 -0.237 0.383 -2.864 1.00 0.00 H new ATOM 0 HE1 TRP A 1 -1.950 1.366 -4.524 1.00 0.00 H new ATOM 0 HE3 TRP A 1 2.679 4.075 -4.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 -2.021 3.446 -6.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 1.716 5.518 -6.618 1.00 0.00 H new ATOM 0 HH2 TRP A 1 -0.614 5.227 -7.358 1.00 0.00 H new ATOM 27 N ARG A 2 4.354 -1.263 -1.874 1.00 0.00 N ATOM 28 CA ARG A 2 5.690 -1.750 -1.485 1.00 0.00 C ATOM 29 C ARG A 2 6.710 -1.354 -2.574 1.00 0.00 C ATOM 30 O ARG A 2 7.144 -2.189 -3.372 1.00 0.00 O ATOM 31 CB ARG A 2 5.652 -3.293 -1.283 1.00 0.00 C ATOM 32 CG ARG A 2 4.583 -3.790 -0.286 1.00 0.00 C ATOM 33 CD ARG A 2 4.670 -5.304 -0.013 1.00 0.00 C ATOM 34 NE ARG A 2 4.563 -6.109 -1.249 1.00 0.00 N ATOM 35 CZ ARG A 2 4.207 -7.402 -1.314 1.00 0.00 C ATOM 36 NH1 ARG A 2 3.867 -8.080 -0.223 1.00 0.00 N ATOM 37 NH2 ARG A 2 4.195 -8.009 -2.484 1.00 0.00 N ATOM 0 H ARG A 2 3.788 -1.971 -2.341 1.00 0.00 H new ATOM 0 HA ARG A 2 5.993 -1.296 -0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.476 -3.767 -2.249 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.632 -3.624 -0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.693 -3.250 0.655 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.593 -3.553 -0.676 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.615 -5.527 0.481 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.875 -5.592 0.675 1.00 0.00 H new ATOM 0 HE ARG A 2 4.779 -5.641 -2.129 1.00 0.00 H new ATOM 0 HH11 ARG A 2 3.873 -7.619 0.687 1.00 0.00 H new ATOM 0 HH12 ARG A 2 3.600 -9.062 -0.295 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.454 -7.497 -3.327 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.926 -8.991 -2.546 1.00 0.00 H new ATOM 51 N VAL A 3 7.055 -0.059 -2.607 1.00 0.00 N ATOM 52 CA VAL A 3 7.816 0.550 -3.714 1.00 0.00 C ATOM 53 C VAL A 3 9.320 0.214 -3.619 1.00 0.00 C ATOM 54 O VAL A 3 9.917 0.279 -2.537 1.00 0.00 O ATOM 55 CB VAL A 3 7.590 2.106 -3.741 1.00 0.00 C ATOM 56 CG1 VAL A 3 8.430 2.806 -4.836 1.00 0.00 C ATOM 57 CG2 VAL A 3 6.084 2.428 -3.920 1.00 0.00 C ATOM 0 H VAL A 3 6.815 0.600 -1.866 1.00 0.00 H new ATOM 0 HA VAL A 3 7.446 0.128 -4.649 1.00 0.00 H new ATOM 0 HB VAL A 3 7.929 2.498 -2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.237 3.879 -4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.489 2.623 -4.654 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.156 2.410 -5.814 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.942 3.509 -3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.730 2.001 -4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.520 2.001 -3.091 1.00 0.00 H new ATOM 67 N ARG A 4 9.910 -0.138 -4.777 1.00 0.00 N ATOM 68 CA ARG A 4 11.313 -0.556 -4.882 1.00 0.00 C ATOM 69 C ARG A 4 12.221 0.676 -5.116 1.00 0.00 C ATOM 70 O ARG A 4 12.348 1.160 -6.244 1.00 0.00 O ATOM 71 CB ARG A 4 11.477 -1.567 -6.048 1.00 0.00 C ATOM 72 CG ARG A 4 10.580 -2.826 -5.976 1.00 0.00 C ATOM 73 CD ARG A 4 10.873 -3.808 -7.131 1.00 0.00 C ATOM 74 NE ARG A 4 10.040 -5.030 -7.069 1.00 0.00 N ATOM 75 CZ ARG A 4 10.428 -6.266 -7.442 1.00 0.00 C ATOM 76 NH1 ARG A 4 11.670 -6.501 -7.858 1.00 0.00 N ATOM 77 NH2 ARG A 4 9.571 -7.270 -7.366 1.00 0.00 N ATOM 0 H ARG A 4 9.419 -0.139 -5.671 1.00 0.00 H new ATOM 0 HA ARG A 4 11.609 -1.037 -3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.271 -1.050 -6.985 1.00 0.00 H new ATOM 0 HB3 ARG A 4 12.518 -1.887 -6.083 1.00 0.00 H new ATOM 0 HG2 ARG A 4 10.737 -3.330 -5.022 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.532 -2.528 -6.010 1.00 0.00 H new ATOM 0 HD2 ARG A 4 10.701 -3.305 -8.082 1.00 0.00 H new ATOM 0 HD3 ARG A 4 11.926 -4.089 -7.105 1.00 0.00 H new ATOM 0 HE ARG A 4 9.090 -4.928 -6.713 1.00 0.00 H new ATOM 0 HH11 ARG A 4 12.347 -5.739 -7.899 1.00 0.00 H new ATOM 0 HH12 ARG A 4 11.945 -7.443 -8.136 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.623 -7.107 -7.027 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.858 -8.208 -7.647 1.00 0.00 H new ATOM 91 N CYS A 5 12.821 1.191 -4.040 1.00 0.00 N ATOM 92 CA CYS A 5 13.755 2.332 -4.089 1.00 0.00 C ATOM 93 C CYS A 5 15.158 1.860 -4.503 1.00 0.00 C ATOM 94 O CYS A 5 15.901 1.298 -3.687 1.00 0.00 O ATOM 95 CB CYS A 5 13.804 3.034 -2.713 1.00 0.00 C ATOM 96 SG CYS A 5 15.116 4.264 -2.515 1.00 0.00 S ATOM 0 H CYS A 5 12.674 0.828 -3.098 1.00 0.00 H new ATOM 0 HA CYS A 5 13.401 3.045 -4.834 1.00 0.00 H new ATOM 0 HB2 CYS A 5 12.844 3.520 -2.538 1.00 0.00 H new ATOM 0 HB3 CYS A 5 13.922 2.274 -1.941 1.00 0.00 H new ATOM 0 HG CYS A 5 15.050 4.781 -1.324 1.00 0.00 H new ATOM 102 N LYS A 6 15.495 2.051 -5.784 1.00 0.00 N ATOM 103 CA LYS A 6 16.844 1.801 -6.306 1.00 0.00 C ATOM 104 C LYS A 6 17.779 2.927 -5.839 1.00 0.00 C ATOM 105 O LYS A 6 17.663 4.059 -6.300 1.00 0.00 O ATOM 106 CB LYS A 6 16.811 1.729 -7.851 1.00 0.00 C ATOM 107 CG LYS A 6 18.197 1.543 -8.526 1.00 0.00 C ATOM 108 CD LYS A 6 18.880 0.193 -8.174 1.00 0.00 C ATOM 109 CE LYS A 6 18.096 -1.028 -8.688 1.00 0.00 C ATOM 110 NZ LYS A 6 17.945 -1.019 -10.168 1.00 0.00 N ATOM 0 H LYS A 6 14.838 2.384 -6.490 1.00 0.00 H new ATOM 0 HA LYS A 6 17.213 0.847 -5.929 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.165 0.903 -8.148 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.357 2.643 -8.233 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.078 1.610 -9.607 1.00 0.00 H new ATOM 0 HG3 LYS A 6 18.851 2.362 -8.226 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.884 0.178 -8.598 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.990 0.119 -7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.608 -1.941 -8.383 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.110 -1.045 -8.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.939 -0.919 -10.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.480 -0.221 -10.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.310 -1.911 -10.560 1.00 0.00 H new ATOM 124 N ALA A 7 18.688 2.604 -4.916 1.00 0.00 N ATOM 125 CA ALA A 7 19.589 3.588 -4.296 1.00 0.00 C ATOM 126 C ALA A 7 20.959 2.955 -4.024 1.00 0.00 C ATOM 127 O ALA A 7 21.221 1.824 -4.454 1.00 0.00 O ATOM 128 CB ALA A 7 18.946 4.138 -3.013 1.00 0.00 C ATOM 0 H ALA A 7 18.823 1.652 -4.575 1.00 0.00 H new ATOM 0 HA ALA A 7 19.748 4.423 -4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.614 4.867 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 7 17.999 4.618 -3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 7 18.768 3.320 -2.315 1.00 0.00 H new ATOM 170 N THR A 11 18.620 -2.114 -3.911 1.00 0.00 N ATOM 171 CA THR A 11 17.185 -1.884 -3.720 1.00 0.00 C ATOM 172 C THR A 11 16.822 -1.782 -2.232 1.00 0.00 C ATOM 173 O THR A 11 17.433 -2.428 -1.381 1.00 0.00 O ATOM 174 CB THR A 11 16.356 -3.025 -4.397 1.00 0.00 C ATOM 175 OG1 THR A 11 16.897 -4.310 -4.033 1.00 0.00 O ATOM 176 CG2 THR A 11 16.351 -2.886 -5.923 1.00 0.00 C ATOM 0 HA THR A 11 16.938 -0.933 -4.191 1.00 0.00 H new ATOM 0 HB THR A 11 15.328 -2.943 -4.043 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.861 -4.227 -3.879 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.766 -3.695 -6.360 1.00 0.00 H new ATOM 0 HG22 THR A 11 15.910 -1.929 -6.200 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.374 -2.935 -6.296 1.00 0.00 H new ATOM 184 N HIS A 12 15.823 -0.951 -1.939 1.00 0.00 N ATOM 185 CA HIS A 12 15.297 -0.741 -0.583 1.00 0.00 C ATOM 186 C HIS A 12 13.770 -0.761 -0.661 1.00 0.00 C ATOM 187 O HIS A 12 13.183 0.006 -1.417 1.00 0.00 O ATOM 188 CB HIS A 12 15.815 0.595 0.013 1.00 0.00 C ATOM 189 CG HIS A 12 17.304 0.616 0.293 1.00 0.00 C ATOM 190 ND1 HIS A 12 18.259 0.843 -0.682 1.00 0.00 N ATOM 191 CD2 HIS A 12 17.995 0.398 1.440 1.00 0.00 C ATOM 192 CE1 HIS A 12 19.462 0.767 -0.143 1.00 0.00 C ATOM 193 NE2 HIS A 12 19.330 0.505 1.141 1.00 0.00 N ATOM 0 H HIS A 12 15.345 -0.393 -2.647 1.00 0.00 H new ATOM 0 HA HIS A 12 15.642 -1.534 0.080 1.00 0.00 H new ATOM 0 HB2 HIS A 12 15.575 1.404 -0.677 1.00 0.00 H new ATOM 0 HB3 HIS A 12 15.280 0.797 0.941 1.00 0.00 H new ATOM 0 HD2 HIS A 12 17.572 0.180 2.410 1.00 0.00 H new ATOM 0 HE1 HIS A 12 20.397 0.898 -0.667 1.00 0.00 H new ATOM 0 HE2 HIS A 12 20.096 0.399 1.806 1.00 0.00 H new ATOM 202 N LEU A 13 13.134 -1.652 0.105 1.00 0.00 N ATOM 203 CA LEU A 13 11.688 -1.897 0.012 1.00 0.00 C ATOM 204 C LEU A 13 10.948 -0.970 0.999 1.00 0.00 C ATOM 205 O LEU A 13 10.961 -1.201 2.217 1.00 0.00 O ATOM 206 CB LEU A 13 11.410 -3.416 0.263 1.00 0.00 C ATOM 207 CG LEU A 13 10.051 -4.007 -0.251 1.00 0.00 C ATOM 208 CD1 LEU A 13 8.854 -3.564 0.602 1.00 0.00 C ATOM 209 CD2 LEU A 13 9.826 -3.672 -1.746 1.00 0.00 C ATOM 0 H LEU A 13 13.604 -2.224 0.807 1.00 0.00 H new ATOM 0 HA LEU A 13 11.311 -1.662 -0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.218 -3.985 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.467 -3.594 1.337 1.00 0.00 H new ATOM 0 HG LEU A 13 10.123 -5.090 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.940 -4.002 0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.996 -3.898 1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.775 -2.477 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.876 -4.094 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.807 -2.590 -1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.636 -4.095 -2.340 1.00 0.00 H new ATOM 221 N LEU A 14 10.349 0.107 0.462 1.00 0.00 N ATOM 222 CA LEU A 14 9.570 1.079 1.248 1.00 0.00 C ATOM 223 C LEU A 14 8.088 0.680 1.258 1.00 0.00 C ATOM 224 O LEU A 14 7.394 0.799 0.238 1.00 0.00 O ATOM 225 CB LEU A 14 9.727 2.534 0.697 1.00 0.00 C ATOM 226 CG LEU A 14 11.038 3.295 1.070 1.00 0.00 C ATOM 227 CD1 LEU A 14 12.283 2.608 0.482 1.00 0.00 C ATOM 228 CD2 LEU A 14 10.960 4.775 0.630 1.00 0.00 C ATOM 0 H LEU A 14 10.392 0.328 -0.533 1.00 0.00 H new ATOM 0 HA LEU A 14 9.959 1.067 2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.656 2.494 -0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.881 3.123 1.050 1.00 0.00 H new ATOM 0 HG LEU A 14 11.135 3.267 2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.175 3.168 0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.355 1.592 0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.202 2.577 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.885 5.284 0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.820 4.827 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.120 5.259 1.128 1.00 0.00 H new ATOM 240 N GLN A 15 7.620 0.181 2.410 1.00 0.00 N ATOM 241 CA GLN A 15 6.184 0.016 2.685 1.00 0.00 C ATOM 242 C GLN A 15 5.634 1.287 3.344 1.00 0.00 C ATOM 243 O GLN A 15 6.349 2.293 3.490 1.00 0.00 O ATOM 244 CB GLN A 15 5.924 -1.223 3.577 1.00 0.00 C ATOM 245 CG GLN A 15 6.245 -2.556 2.891 1.00 0.00 C ATOM 246 CD GLN A 15 5.855 -3.786 3.702 1.00 0.00 C ATOM 247 OE1 GLN A 15 4.911 -3.764 4.494 1.00 0.00 O ATOM 248 NE2 GLN A 15 6.553 -4.879 3.473 1.00 0.00 N ATOM 0 H GLN A 15 8.223 -0.119 3.176 1.00 0.00 H new ATOM 0 HA GLN A 15 5.665 -0.146 1.740 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.522 -1.138 4.484 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.878 -1.225 3.884 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.731 -2.590 1.930 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.314 -2.596 2.682 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.328 -4.860 2.810 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.318 -5.745 3.958 1.00 0.00 H new ATOM 257 N GLY A 16 4.344 1.242 3.701 1.00 0.00 N ATOM 258 CA GLY A 16 3.660 2.368 4.332 1.00 0.00 C ATOM 259 C GLY A 16 3.115 3.376 3.335 1.00 0.00 C ATOM 260 O GLY A 16 2.232 4.164 3.675 1.00 0.00 O ATOM 0 H GLY A 16 3.750 0.425 3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.839 1.990 4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.352 2.872 5.007 1.00 0.00 H new ATOM 264 N LEU A 17 3.649 3.347 2.104 1.00 0.00 N ATOM 265 CA LEU A 17 3.255 4.260 1.033 1.00 0.00 C ATOM 266 C LEU A 17 1.854 3.912 0.513 1.00 0.00 C ATOM 267 O LEU A 17 1.628 2.823 -0.003 1.00 0.00 O ATOM 268 CB LEU A 17 4.290 4.208 -0.118 1.00 0.00 C ATOM 269 CG LEU A 17 5.737 4.649 0.271 1.00 0.00 C ATOM 270 CD1 LEU A 17 6.740 4.401 -0.872 1.00 0.00 C ATOM 271 CD2 LEU A 17 5.753 6.131 0.701 1.00 0.00 C ATOM 0 H LEU A 17 4.371 2.682 1.827 1.00 0.00 H new ATOM 0 HA LEU A 17 3.227 5.274 1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.329 3.190 -0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.939 4.844 -0.930 1.00 0.00 H new ATOM 0 HG LEU A 17 6.051 4.036 1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.734 4.722 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.761 3.338 -1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.436 4.967 -1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.769 6.421 0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.403 6.753 -0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.098 6.267 1.562 1.00 0.00 H new ATOM 283 N SER A 18 0.929 4.834 0.724 1.00 0.00 N ATOM 284 CA SER A 18 -0.422 4.796 0.140 1.00 0.00 C ATOM 285 C SER A 18 -0.419 5.569 -1.191 1.00 0.00 C ATOM 286 O SER A 18 0.542 6.283 -1.488 1.00 0.00 O ATOM 287 CB SER A 18 -1.444 5.413 1.130 1.00 0.00 C ATOM 288 OG SER A 18 -1.096 6.753 1.477 1.00 0.00 O ATOM 0 H SER A 18 1.089 5.649 1.316 1.00 0.00 H new ATOM 0 HA SER A 18 -0.713 3.763 -0.050 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.438 5.399 0.683 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.491 4.803 2.032 1.00 0.00 H new ATOM 0 HG SER A 18 -0.188 6.947 1.163 1.00 0.00 H new ATOM 294 N SER A 19 -1.495 5.434 -1.982 1.00 0.00 N ATOM 295 CA SER A 19 -1.652 6.164 -3.261 1.00 0.00 C ATOM 296 C SER A 19 -1.617 7.692 -3.055 1.00 0.00 C ATOM 297 O SER A 19 -1.103 8.438 -3.897 1.00 0.00 O ATOM 298 CB SER A 19 -2.978 5.743 -3.924 1.00 0.00 C ATOM 299 OG SER A 19 -4.067 5.909 -3.031 1.00 0.00 O ATOM 0 H SER A 19 -2.279 4.821 -1.760 1.00 0.00 H new ATOM 0 HA SER A 19 -0.815 5.907 -3.910 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.145 6.338 -4.822 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.917 4.701 -4.239 1.00 0.00 H new ATOM 0 HG SER A 19 -4.898 5.637 -3.474 1.00 0.00 H new ATOM 305 N ARG A 20 -2.148 8.139 -1.904 1.00 0.00 N ATOM 306 CA ARG A 20 -2.275 9.567 -1.571 1.00 0.00 C ATOM 307 C ARG A 20 -1.168 10.031 -0.602 1.00 0.00 C ATOM 308 O ARG A 20 -1.332 11.032 0.115 1.00 0.00 O ATOM 309 CB ARG A 20 -3.692 9.838 -0.993 1.00 0.00 C ATOM 310 CG ARG A 20 -4.014 9.052 0.303 1.00 0.00 C ATOM 311 CD ARG A 20 -5.443 9.295 0.812 1.00 0.00 C ATOM 312 NE ARG A 20 -5.727 8.539 2.048 1.00 0.00 N ATOM 313 CZ ARG A 20 -6.948 8.208 2.494 1.00 0.00 C ATOM 314 NH1 ARG A 20 -8.043 8.549 1.816 1.00 0.00 N ATOM 315 NH2 ARG A 20 -7.061 7.525 3.615 1.00 0.00 N ATOM 0 H ARG A 20 -2.502 7.518 -1.177 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.148 10.150 -2.483 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.791 10.905 -0.791 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.435 9.587 -1.750 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.876 7.987 0.119 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.304 9.336 1.080 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.585 10.360 0.998 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.156 9.008 0.040 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.928 8.244 2.609 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.961 9.070 0.943 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.964 8.289 2.170 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.225 7.254 4.133 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.984 7.267 3.964 1.00 0.00 H new ATOM 329 N THR A 21 -0.030 9.320 -0.606 1.00 0.00 N ATOM 330 CA THR A 21 1.173 9.750 0.119 1.00 0.00 C ATOM 331 C THR A 21 1.811 10.948 -0.601 1.00 0.00 C ATOM 332 O THR A 21 2.048 10.899 -1.807 1.00 0.00 O ATOM 333 CB THR A 21 2.183 8.576 0.252 1.00 0.00 C ATOM 334 OG1 THR A 21 1.580 7.546 1.031 1.00 0.00 O ATOM 335 CG2 THR A 21 3.509 8.979 0.890 1.00 0.00 C ATOM 0 H THR A 21 0.081 8.439 -1.107 1.00 0.00 H new ATOM 0 HA THR A 21 0.890 10.058 1.126 1.00 0.00 H new ATOM 0 HB THR A 21 2.417 8.236 -0.757 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.195 7.271 1.743 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.163 8.109 0.950 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.985 9.750 0.284 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.328 9.366 1.893 1.00 0.00 H new ATOM 343 N ARG A 22 2.052 12.025 0.151 1.00 0.00 N ATOM 344 CA ARG A 22 2.573 13.288 -0.395 1.00 0.00 C ATOM 345 C ARG A 22 4.096 13.215 -0.615 1.00 0.00 C ATOM 346 O ARG A 22 4.750 12.275 -0.158 1.00 0.00 O ATOM 347 CB ARG A 22 2.195 14.454 0.551 1.00 0.00 C ATOM 348 CG ARG A 22 0.685 14.502 0.870 1.00 0.00 C ATOM 349 CD ARG A 22 0.294 15.641 1.816 1.00 0.00 C ATOM 350 NE ARG A 22 0.999 15.605 3.114 1.00 0.00 N ATOM 351 CZ ARG A 22 0.813 16.488 4.108 1.00 0.00 C ATOM 352 NH1 ARG A 22 -0.044 17.492 3.970 1.00 0.00 N ATOM 353 NH2 ARG A 22 1.503 16.373 5.228 1.00 0.00 N ATOM 0 H ARG A 22 1.892 12.049 1.158 1.00 0.00 H new ATOM 0 HA ARG A 22 2.119 13.465 -1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.755 14.357 1.481 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.495 15.397 0.095 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.129 14.607 -0.061 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.386 13.553 1.315 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.499 16.594 1.328 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.780 15.600 1.995 1.00 0.00 H new ATOM 0 HE ARG A 22 1.675 14.856 3.266 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.569 17.599 3.102 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.177 18.157 4.732 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.176 15.614 5.337 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.363 17.043 5.984 1.00 0.00 H new ATOM 367 N LEU A 23 4.623 14.233 -1.319 1.00 0.00 N ATOM 368 CA LEU A 23 6.060 14.392 -1.645 1.00 0.00 C ATOM 369 C LEU A 23 6.920 14.321 -0.381 1.00 0.00 C ATOM 370 O LEU A 23 7.856 13.531 -0.293 1.00 0.00 O ATOM 371 CB LEU A 23 6.238 15.756 -2.379 1.00 0.00 C ATOM 372 CG LEU A 23 7.686 16.235 -2.784 1.00 0.00 C ATOM 373 CD1 LEU A 23 7.604 17.229 -3.950 1.00 0.00 C ATOM 374 CD2 LEU A 23 8.466 16.906 -1.615 1.00 0.00 C ATOM 0 H LEU A 23 4.049 14.991 -1.689 1.00 0.00 H new ATOM 0 HA LEU A 23 6.391 13.580 -2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.640 15.718 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.804 16.528 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 23 8.231 15.336 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.608 17.554 -4.222 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.134 16.747 -4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.012 18.094 -3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.453 17.211 -1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.918 17.781 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.574 16.196 -0.795 1.00 0.00 H new ATOM 386 N ARG A 24 6.573 15.176 0.587 1.00 0.00 N ATOM 387 CA ARG A 24 7.309 15.304 1.859 1.00 0.00 C ATOM 388 C ARG A 24 7.251 14.015 2.697 1.00 0.00 C ATOM 389 O ARG A 24 8.169 13.748 3.476 1.00 0.00 O ATOM 390 CB ARG A 24 6.797 16.541 2.644 1.00 0.00 C ATOM 391 CG ARG A 24 5.259 16.678 2.709 1.00 0.00 C ATOM 392 CD ARG A 24 4.807 18.010 3.323 1.00 0.00 C ATOM 393 NE ARG A 24 3.385 18.313 3.050 1.00 0.00 N ATOM 394 CZ ARG A 24 2.841 19.538 3.123 1.00 0.00 C ATOM 395 NH1 ARG A 24 3.563 20.575 3.526 1.00 0.00 N ATOM 396 NH2 ARG A 24 1.578 19.726 2.801 1.00 0.00 N ATOM 0 H ARG A 24 5.772 15.803 0.514 1.00 0.00 H new ATOM 0 HA ARG A 24 8.363 15.459 1.630 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.187 16.495 3.661 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.208 17.440 2.186 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.848 16.588 1.704 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.850 15.855 3.295 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.967 17.981 4.401 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.427 18.815 2.930 1.00 0.00 H new ATOM 0 HE ARG A 24 2.776 17.538 2.788 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.541 20.446 3.784 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.140 21.502 3.578 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.007 18.938 2.494 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.170 20.659 2.859 1.00 0.00 H new ATOM 410 N GLU A 25 6.197 13.203 2.507 1.00 0.00 N ATOM 411 CA GLU A 25 6.092 11.895 3.175 1.00 0.00 C ATOM 412 C GLU A 25 7.016 10.876 2.455 1.00 0.00 C ATOM 413 O GLU A 25 7.740 10.124 3.099 1.00 0.00 O ATOM 414 CB GLU A 25 4.626 11.370 3.180 1.00 0.00 C ATOM 415 CG GLU A 25 3.513 12.413 3.420 1.00 0.00 C ATOM 416 CD GLU A 25 3.675 13.258 4.692 1.00 0.00 C ATOM 417 OE1 GLU A 25 3.811 12.690 5.792 1.00 0.00 O ATOM 418 OE2 GLU A 25 3.643 14.503 4.590 1.00 0.00 O ATOM 0 H GLU A 25 5.409 13.428 1.899 1.00 0.00 H new ATOM 0 HA GLU A 25 6.404 12.014 4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.436 10.885 2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.543 10.602 3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.472 13.082 2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.555 11.895 3.466 1.00 0.00 H new ATOM 425 N LEU A 26 6.984 10.912 1.105 1.00 0.00 N ATOM 426 CA LEU A 26 7.697 9.966 0.220 1.00 0.00 C ATOM 427 C LEU A 26 9.220 10.179 0.313 1.00 0.00 C ATOM 428 O LEU A 26 9.940 9.320 0.839 1.00 0.00 O ATOM 429 CB LEU A 26 7.136 10.136 -1.240 1.00 0.00 C ATOM 430 CG LEU A 26 7.717 9.251 -2.414 1.00 0.00 C ATOM 431 CD1 LEU A 26 8.951 9.881 -3.079 1.00 0.00 C ATOM 432 CD2 LEU A 26 8.005 7.804 -1.963 1.00 0.00 C ATOM 0 H LEU A 26 6.451 11.613 0.590 1.00 0.00 H new ATOM 0 HA LEU A 26 7.523 8.936 0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.062 9.956 -1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.274 11.180 -1.521 1.00 0.00 H new ATOM 0 HG LEU A 26 6.934 9.211 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.306 9.230 -3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.684 10.852 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.739 10.008 -2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.403 7.234 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.734 7.814 -1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.082 7.341 -1.614 1.00 0.00 H new ATOM 444 N GLN A 27 9.689 11.350 -0.166 1.00 0.00 N ATOM 445 CA GLN A 27 11.115 11.733 -0.119 1.00 0.00 C ATOM 446 C GLN A 27 11.619 11.842 1.336 1.00 0.00 C ATOM 447 O GLN A 27 12.828 11.752 1.584 1.00 0.00 O ATOM 448 CB GLN A 27 11.375 13.061 -0.888 1.00 0.00 C ATOM 449 CG GLN A 27 11.018 13.030 -2.395 1.00 0.00 C ATOM 450 CD GLN A 27 11.557 14.244 -3.162 1.00 0.00 C ATOM 451 OE1 GLN A 27 10.889 15.266 -3.283 1.00 0.00 O ATOM 452 NE2 GLN A 27 12.777 14.139 -3.685 1.00 0.00 N ATOM 0 H GLN A 27 9.091 12.055 -0.596 1.00 0.00 H new ATOM 0 HA GLN A 27 11.677 10.942 -0.615 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.802 13.857 -0.411 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.428 13.321 -0.786 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.419 12.119 -2.839 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.934 12.989 -2.506 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.309 13.277 -3.568 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.179 14.921 -4.202 1.00 0.00 H new ATOM 461 N GLY A 28 10.673 12.025 2.275 1.00 0.00 N ATOM 462 CA GLY A 28 10.965 12.029 3.706 1.00 0.00 C ATOM 463 C GLY A 28 11.341 10.644 4.226 1.00 0.00 C ATOM 464 O GLY A 28 12.290 10.513 5.013 1.00 0.00 O ATOM 0 H GLY A 28 9.688 12.173 2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.781 12.723 3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.095 12.395 4.251 1.00 0.00 H new ATOM 468 N GLN A 29 10.610 9.595 3.767 1.00 0.00 N ATOM 469 CA GLN A 29 10.924 8.196 4.132 1.00 0.00 C ATOM 470 C GLN A 29 12.257 7.789 3.499 1.00 0.00 C ATOM 471 O GLN A 29 13.055 7.125 4.134 1.00 0.00 O ATOM 472 CB GLN A 29 9.819 7.183 3.704 1.00 0.00 C ATOM 473 CG GLN A 29 8.465 7.323 4.446 1.00 0.00 C ATOM 474 CD GLN A 29 7.535 6.099 4.304 1.00 0.00 C ATOM 475 OE1 GLN A 29 6.720 5.820 5.184 1.00 0.00 O ATOM 476 NE2 GLN A 29 7.639 5.358 3.206 1.00 0.00 N ATOM 0 H GLN A 29 9.805 9.694 3.148 1.00 0.00 H new ATOM 0 HA GLN A 29 10.982 8.161 5.220 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.641 7.296 2.635 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.196 6.172 3.860 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.660 7.496 5.504 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.947 8.205 4.069 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.320 5.604 2.487 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.038 4.543 3.082 1.00 0.00 H new ATOM 485 N ILE A 30 12.482 8.226 2.247 1.00 0.00 N ATOM 486 CA ILE A 30 13.728 7.961 1.499 1.00 0.00 C ATOM 487 C ILE A 30 14.962 8.541 2.246 1.00 0.00 C ATOM 488 O ILE A 30 16.022 7.897 2.327 1.00 0.00 O ATOM 489 CB ILE A 30 13.622 8.559 0.046 1.00 0.00 C ATOM 490 CG1 ILE A 30 12.449 7.883 -0.743 1.00 0.00 C ATOM 491 CG2 ILE A 30 14.953 8.426 -0.724 1.00 0.00 C ATOM 492 CD1 ILE A 30 12.181 8.462 -2.122 1.00 0.00 C ATOM 0 H ILE A 30 11.802 8.776 1.722 1.00 0.00 H new ATOM 0 HA ILE A 30 13.864 6.882 1.425 1.00 0.00 H new ATOM 0 HB ILE A 30 13.407 9.623 0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.668 6.820 -0.849 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.539 7.964 -0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.840 8.850 -1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.738 8.961 -0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.223 7.373 -0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.352 7.927 -2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.926 9.518 -2.030 1.00 0.00 H new ATOM 0 HD13 ILE A 30 13.072 8.357 -2.740 1.00 0.00 H new ATOM 504 N ALA A 31 14.778 9.744 2.823 1.00 0.00 N ATOM 505 CA ALA A 31 15.806 10.431 3.634 1.00 0.00 C ATOM 506 C ALA A 31 16.146 9.640 4.921 1.00 0.00 C ATOM 507 O ALA A 31 17.238 9.790 5.472 1.00 0.00 O ATOM 508 CB ALA A 31 15.347 11.865 3.959 1.00 0.00 C ATOM 0 H ALA A 31 13.908 10.271 2.740 1.00 0.00 H new ATOM 0 HA ALA A 31 16.724 10.484 3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.110 12.364 4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.194 12.417 3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.413 11.830 4.519 1.00 0.00 H new ATOM 514 N ALA A 32 15.198 8.809 5.387 1.00 0.00 N ATOM 515 CA ALA A 32 15.383 7.951 6.577 1.00 0.00 C ATOM 516 C ALA A 32 15.915 6.546 6.194 1.00 0.00 C ATOM 517 O ALA A 32 16.730 5.969 6.921 1.00 0.00 O ATOM 518 CB ALA A 32 14.060 7.842 7.351 1.00 0.00 C ATOM 0 H ALA A 32 14.281 8.711 4.952 1.00 0.00 H new ATOM 0 HA ALA A 32 16.134 8.414 7.217 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.202 7.209 8.227 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.742 8.835 7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.297 7.405 6.707 1.00 0.00 H new ATOM 524 N ILE A 33 15.459 6.018 5.039 1.00 0.00 N ATOM 525 CA ILE A 33 15.764 4.641 4.581 1.00 0.00 C ATOM 526 C ILE A 33 17.209 4.560 4.045 1.00 0.00 C ATOM 527 O ILE A 33 18.082 3.932 4.654 1.00 0.00 O ATOM 528 CB ILE A 33 14.747 4.178 3.455 1.00 0.00 C ATOM 529 CG1 ILE A 33 13.284 4.030 4.005 1.00 0.00 C ATOM 530 CG2 ILE A 33 15.210 2.868 2.768 1.00 0.00 C ATOM 531 CD1 ILE A 33 13.014 2.774 4.822 1.00 0.00 C ATOM 0 H ILE A 33 14.865 6.536 4.392 1.00 0.00 H new ATOM 0 HA ILE A 33 15.662 3.973 5.436 1.00 0.00 H new ATOM 0 HB ILE A 33 14.737 4.967 2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 33 13.057 4.899 4.622 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.594 4.049 3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.488 2.583 2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.185 3.024 2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 33 15.284 2.074 3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.975 2.771 5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 33 13.201 1.893 4.208 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.672 2.757 5.691 1.00 0.00 H new ATOM 543 N THR A 34 17.445 5.219 2.904 1.00 0.00 N ATOM 544 CA THR A 34 18.742 5.186 2.200 1.00 0.00 C ATOM 545 C THR A 34 19.597 6.415 2.568 1.00 0.00 C ATOM 546 O THR A 34 20.776 6.500 2.193 1.00 0.00 O ATOM 547 CB THR A 34 18.528 5.057 0.647 1.00 0.00 C ATOM 548 OG1 THR A 34 19.768 5.203 -0.068 1.00 0.00 O ATOM 549 CG2 THR A 34 17.504 6.064 0.112 1.00 0.00 C ATOM 0 H THR A 34 16.742 5.793 2.438 1.00 0.00 H new ATOM 0 HA THR A 34 19.293 4.303 2.525 1.00 0.00 H new ATOM 0 HB THR A 34 18.135 4.054 0.478 1.00 0.00 H new ATOM 0 HG1 THR A 34 20.402 5.713 0.478 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.393 5.933 -0.964 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.543 5.899 0.599 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.847 7.077 0.321 1.00 0.00 H new ATOM 557 N GLY A 35 18.992 7.360 3.316 1.00 0.00 N ATOM 558 CA GLY A 35 19.717 8.499 3.876 1.00 0.00 C ATOM 559 C GLY A 35 19.900 9.652 2.906 1.00 0.00 C ATOM 560 O GLY A 35 20.603 10.620 3.223 1.00 0.00 O ATOM 0 H GLY A 35 17.997 7.349 3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 35 19.184 8.859 4.756 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.697 8.162 4.213 1.00 0.00 H new ATOM 564 N ILE A 36 19.270 9.565 1.721 1.00 0.00 N ATOM 565 CA ILE A 36 19.421 10.584 0.680 1.00 0.00 C ATOM 566 C ILE A 36 18.438 11.734 0.940 1.00 0.00 C ATOM 567 O ILE A 36 17.217 11.530 0.876 1.00 0.00 O ATOM 568 CB ILE A 36 19.166 10.022 -0.767 1.00 0.00 C ATOM 569 CG1 ILE A 36 19.831 8.626 -0.995 1.00 0.00 C ATOM 570 CG2 ILE A 36 19.651 11.039 -1.820 1.00 0.00 C ATOM 571 CD1 ILE A 36 21.326 8.557 -0.778 1.00 0.00 C ATOM 0 H ILE A 36 18.651 8.796 1.465 1.00 0.00 H new ATOM 0 HA ILE A 36 20.453 10.930 0.725 1.00 0.00 H new ATOM 0 HB ILE A 36 18.091 9.875 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 36 19.354 7.906 -0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.617 8.307 -2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 36 19.471 10.642 -2.819 1.00 0.00 H new ATOM 0 HG22 ILE A 36 19.108 11.976 -1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 36 20.718 11.219 -1.688 1.00 0.00 H new ATOM 0 HD11 ILE A 36 21.674 7.541 -0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 36 21.825 9.243 -1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 36 21.558 8.837 0.250 1.00 0.00 H new ATOM 583 N ALA A 37 18.982 12.927 1.241 1.00 0.00 N ATOM 584 CA ALA A 37 18.198 14.166 1.391 1.00 0.00 C ATOM 585 C ALA A 37 17.383 14.456 0.110 1.00 0.00 C ATOM 586 O ALA A 37 17.874 14.171 -0.988 1.00 0.00 O ATOM 587 CB ALA A 37 19.132 15.340 1.714 1.00 0.00 C ATOM 0 H ALA A 37 19.983 13.059 1.388 1.00 0.00 H new ATOM 0 HA ALA A 37 17.496 14.038 2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.545 16.252 1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 37 19.664 15.137 2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.851 15.466 0.905 1.00 0.00 H new ATOM 593 N PRO A 38 16.132 15.030 0.233 1.00 0.00 N ATOM 594 CA PRO A 38 15.202 15.246 -0.919 1.00 0.00 C ATOM 595 C PRO A 38 15.813 16.063 -2.093 1.00 0.00 C ATOM 596 O PRO A 38 15.334 15.965 -3.230 1.00 0.00 O ATOM 597 CB PRO A 38 13.984 15.975 -0.275 1.00 0.00 C ATOM 598 CG PRO A 38 14.503 16.518 1.024 1.00 0.00 C ATOM 599 CD PRO A 38 15.511 15.506 1.506 1.00 0.00 C ATOM 0 HA PRO A 38 14.942 14.301 -1.396 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.616 16.774 -0.919 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.153 15.288 -0.113 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.964 17.496 0.885 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.697 16.645 1.747 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.247 15.954 2.173 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.037 14.692 2.055 1.00 0.00 H new ATOM 607 N GLY A 39 16.873 16.845 -1.806 1.00 0.00 N ATOM 608 CA GLY A 39 17.568 17.647 -2.825 1.00 0.00 C ATOM 609 C GLY A 39 18.682 16.892 -3.549 1.00 0.00 C ATOM 610 O GLY A 39 19.096 17.294 -4.638 1.00 0.00 O ATOM 0 H GLY A 39 17.266 16.936 -0.869 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.841 17.994 -3.559 1.00 0.00 H new ATOM 0 HA3 GLY A 39 17.991 18.533 -2.351 1.00 0.00 H new ATOM 614 N SER A 40 19.178 15.806 -2.939 1.00 0.00 N ATOM 615 CA SER A 40 20.243 14.967 -3.523 1.00 0.00 C ATOM 616 C SER A 40 19.652 13.829 -4.381 1.00 0.00 C ATOM 617 O SER A 40 20.369 13.199 -5.165 1.00 0.00 O ATOM 618 CB SER A 40 21.117 14.391 -2.396 1.00 0.00 C ATOM 619 OG SER A 40 21.676 15.417 -1.597 1.00 0.00 O ATOM 0 H SER A 40 18.855 15.482 -2.027 1.00 0.00 H new ATOM 0 HA SER A 40 20.856 15.588 -4.177 1.00 0.00 H new ATOM 0 HB2 SER A 40 20.518 13.728 -1.772 1.00 0.00 H new ATOM 0 HB3 SER A 40 21.916 13.787 -2.826 1.00 0.00 H new ATOM 0 HG SER A 40 22.224 15.018 -0.889 1.00 0.00 H new ATOM 625 N GLN A 41 18.347 13.562 -4.194 1.00 0.00 N ATOM 626 CA GLN A 41 17.594 12.542 -4.955 1.00 0.00 C ATOM 627 C GLN A 41 16.614 13.208 -5.922 1.00 0.00 C ATOM 628 O GLN A 41 16.112 14.307 -5.663 1.00 0.00 O ATOM 629 CB GLN A 41 16.814 11.598 -4.000 1.00 0.00 C ATOM 630 CG GLN A 41 16.094 12.320 -2.838 1.00 0.00 C ATOM 631 CD GLN A 41 14.870 11.603 -2.286 1.00 0.00 C ATOM 632 OE1 GLN A 41 14.144 10.933 -3.016 1.00 0.00 O ATOM 633 NE2 GLN A 41 14.635 11.745 -0.989 1.00 0.00 N ATOM 0 H GLN A 41 17.777 14.052 -3.504 1.00 0.00 H new ATOM 0 HA GLN A 41 18.316 11.953 -5.521 1.00 0.00 H new ATOM 0 HB2 GLN A 41 16.076 11.043 -4.580 1.00 0.00 H new ATOM 0 HB3 GLN A 41 17.508 10.868 -3.584 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.806 12.466 -2.026 1.00 0.00 H new ATOM 0 HG3 GLN A 41 15.792 13.310 -3.179 1.00 0.00 H new ATOM 0 HE21 GLN A 41 15.262 12.310 -0.416 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.827 11.289 -0.564 1.00 0.00 H new ATOM 642 N ARG A 42 16.341 12.512 -7.031 1.00 0.00 N ATOM 643 CA ARG A 42 15.359 12.914 -8.052 1.00 0.00 C ATOM 644 C ARG A 42 14.435 11.724 -8.348 1.00 0.00 C ATOM 645 O ARG A 42 14.870 10.567 -8.299 1.00 0.00 O ATOM 646 CB ARG A 42 16.089 13.390 -9.341 1.00 0.00 C ATOM 647 CG ARG A 42 16.845 14.730 -9.178 1.00 0.00 C ATOM 648 CD ARG A 42 17.783 15.037 -10.359 1.00 0.00 C ATOM 649 NE ARG A 42 17.093 15.021 -11.663 1.00 0.00 N ATOM 650 CZ ARG A 42 17.365 14.186 -12.681 1.00 0.00 C ATOM 651 NH1 ARG A 42 18.275 13.232 -12.561 1.00 0.00 N ATOM 652 NH2 ARG A 42 16.722 14.311 -13.821 1.00 0.00 N ATOM 0 H ARG A 42 16.806 11.632 -7.252 1.00 0.00 H new ATOM 0 HA ARG A 42 14.760 13.747 -7.684 1.00 0.00 H new ATOM 0 HB2 ARG A 42 16.797 12.621 -9.650 1.00 0.00 H new ATOM 0 HB3 ARG A 42 15.358 13.492 -10.143 1.00 0.00 H new ATOM 0 HG2 ARG A 42 16.122 15.539 -9.075 1.00 0.00 H new ATOM 0 HG3 ARG A 42 17.426 14.703 -8.256 1.00 0.00 H new ATOM 0 HD2 ARG A 42 18.240 16.015 -10.208 1.00 0.00 H new ATOM 0 HD3 ARG A 42 18.592 14.306 -10.373 1.00 0.00 H new ATOM 0 HE ARG A 42 16.346 15.701 -11.804 1.00 0.00 H new ATOM 0 HH11 ARG A 42 18.784 13.120 -11.684 1.00 0.00 H new ATOM 0 HH12 ARG A 42 18.467 12.609 -13.345 1.00 0.00 H new ATOM 0 HH21 ARG A 42 16.018 15.041 -13.932 1.00 0.00 H new ATOM 0 HH22 ARG A 42 16.927 13.678 -14.594 1.00 0.00 H new ATOM 666 N ILE A 43 13.159 12.018 -8.641 1.00 0.00 N ATOM 667 CA ILE A 43 12.146 10.995 -8.934 1.00 0.00 C ATOM 668 C ILE A 43 12.286 10.565 -10.391 1.00 0.00 C ATOM 669 O ILE A 43 11.831 11.241 -11.323 1.00 0.00 O ATOM 670 CB ILE A 43 10.689 11.502 -8.623 1.00 0.00 C ATOM 671 CG1 ILE A 43 10.543 11.819 -7.102 1.00 0.00 C ATOM 672 CG2 ILE A 43 9.593 10.502 -9.091 1.00 0.00 C ATOM 673 CD1 ILE A 43 10.768 10.649 -6.163 1.00 0.00 C ATOM 0 H ILE A 43 12.801 12.972 -8.681 1.00 0.00 H new ATOM 0 HA ILE A 43 12.314 10.137 -8.284 1.00 0.00 H new ATOM 0 HB ILE A 43 10.536 12.417 -9.195 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.249 12.609 -6.845 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.543 12.215 -6.926 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.608 10.903 -8.851 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.672 10.354 -10.168 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.730 9.548 -8.582 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.642 10.980 -5.132 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.046 9.863 -6.382 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.778 10.262 -6.299 1.00 0.00 H new ATOM 685 N LEU A 44 13.025 9.479 -10.558 1.00 0.00 N ATOM 686 CA LEU A 44 13.252 8.819 -11.833 1.00 0.00 C ATOM 687 C LEU A 44 12.670 7.420 -11.720 1.00 0.00 C ATOM 688 O LEU A 44 12.777 6.794 -10.674 1.00 0.00 O ATOM 689 CB LEU A 44 14.775 8.795 -12.118 1.00 0.00 C ATOM 690 CG LEU A 44 15.446 10.209 -12.109 1.00 0.00 C ATOM 691 CD1 LEU A 44 16.972 10.109 -12.022 1.00 0.00 C ATOM 692 CD2 LEU A 44 15.006 11.050 -13.338 1.00 0.00 C ATOM 0 H LEU A 44 13.499 9.017 -9.782 1.00 0.00 H new ATOM 0 HA LEU A 44 12.773 9.340 -12.662 1.00 0.00 H new ATOM 0 HB2 LEU A 44 15.264 8.167 -11.373 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.945 8.329 -13.089 1.00 0.00 H new ATOM 0 HG LEU A 44 15.102 10.726 -11.213 1.00 0.00 H new ATOM 0 HD11 LEU A 44 17.403 11.110 -12.018 1.00 0.00 H new ATOM 0 HD12 LEU A 44 17.251 9.590 -11.105 1.00 0.00 H new ATOM 0 HD13 LEU A 44 17.350 9.555 -12.881 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.489 12.026 -13.303 1.00 0.00 H new ATOM 0 HD22 LEU A 44 15.296 10.535 -14.254 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.924 11.180 -13.321 1.00 0.00 H new ATOM 704 N VAL A 45 12.015 6.953 -12.772 1.00 0.00 N ATOM 705 CA VAL A 45 11.356 5.635 -12.797 1.00 0.00 C ATOM 706 C VAL A 45 12.063 4.709 -13.790 1.00 0.00 C ATOM 707 O VAL A 45 12.849 5.177 -14.625 1.00 0.00 O ATOM 708 CB VAL A 45 9.819 5.765 -13.125 1.00 0.00 C ATOM 709 CG1 VAL A 45 9.030 6.296 -11.904 1.00 0.00 C ATOM 710 CG2 VAL A 45 9.578 6.672 -14.354 1.00 0.00 C ATOM 0 H VAL A 45 11.919 7.474 -13.644 1.00 0.00 H new ATOM 0 HA VAL A 45 11.434 5.195 -11.803 1.00 0.00 H new ATOM 0 HB VAL A 45 9.455 4.766 -13.363 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.973 6.375 -12.160 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.150 5.609 -11.066 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.410 7.279 -11.624 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.508 6.740 -14.552 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.974 7.668 -14.155 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.082 6.249 -15.223 1.00 0.00 H new ATOM 720 N GLY A 46 11.799 3.393 -13.661 1.00 0.00 N ATOM 721 CA GLY A 46 12.447 2.372 -14.486 1.00 0.00 C ATOM 722 C GLY A 46 12.183 2.546 -15.977 1.00 0.00 C ATOM 723 O GLY A 46 13.112 2.503 -16.792 1.00 0.00 O ATOM 0 H GLY A 46 11.134 3.017 -12.985 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.522 2.400 -14.309 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.098 1.388 -14.175 1.00 0.00 H new ATOM 727 N TYR A 47 10.896 2.726 -16.329 1.00 0.00 N ATOM 728 CA TYR A 47 10.491 3.127 -17.691 1.00 0.00 C ATOM 729 C TYR A 47 10.923 4.590 -17.938 1.00 0.00 C ATOM 730 O TYR A 47 10.885 5.366 -16.986 1.00 0.00 O ATOM 731 CB TYR A 47 8.961 2.939 -17.896 1.00 0.00 C ATOM 732 CG TYR A 47 8.045 3.730 -16.939 1.00 0.00 C ATOM 733 CD1 TYR A 47 7.618 3.187 -15.722 1.00 0.00 C ATOM 734 CD2 TYR A 47 7.577 5.009 -17.271 1.00 0.00 C ATOM 735 CE1 TYR A 47 6.775 3.881 -14.874 1.00 0.00 C ATOM 736 CE2 TYR A 47 6.736 5.709 -16.421 1.00 0.00 C ATOM 737 CZ TYR A 47 6.332 5.134 -15.227 1.00 0.00 C ATOM 738 OH TYR A 47 5.485 5.819 -14.379 1.00 0.00 O ATOM 0 H TYR A 47 10.115 2.599 -15.686 1.00 0.00 H new ATOM 0 HA TYR A 47 10.988 2.487 -18.420 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.715 3.223 -18.919 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.729 1.879 -17.795 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.955 2.201 -15.438 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.878 5.457 -18.207 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.466 3.441 -13.938 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.397 6.699 -16.688 1.00 0.00 H new ATOM 0 HH TYR A 47 5.807 5.735 -13.457 1.00 0.00 H new ATOM 748 N PRO A 48 11.329 4.972 -19.207 1.00 0.00 N ATOM 749 CA PRO A 48 11.955 6.287 -19.525 1.00 0.00 C ATOM 750 C PRO A 48 11.327 7.521 -18.812 1.00 0.00 C ATOM 751 O PRO A 48 10.244 7.973 -19.200 1.00 0.00 O ATOM 752 CB PRO A 48 11.793 6.379 -21.061 1.00 0.00 C ATOM 753 CG PRO A 48 11.877 4.958 -21.526 1.00 0.00 C ATOM 754 CD PRO A 48 11.212 4.132 -20.439 1.00 0.00 C ATOM 0 HA PRO A 48 12.984 6.321 -19.168 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.840 6.832 -21.334 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.576 6.991 -21.508 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.370 4.828 -22.482 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.914 4.654 -21.671 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.170 3.924 -20.680 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.708 3.170 -20.312 1.00 0.00 H new ATOM 762 N PRO A 49 11.980 8.045 -17.711 1.00 0.00 N ATOM 763 CA PRO A 49 11.488 9.240 -16.999 1.00 0.00 C ATOM 764 C PRO A 49 11.812 10.526 -17.784 1.00 0.00 C ATOM 765 O PRO A 49 12.864 10.629 -18.431 1.00 0.00 O ATOM 766 CB PRO A 49 12.239 9.184 -15.648 1.00 0.00 C ATOM 767 CG PRO A 49 13.536 8.490 -15.962 1.00 0.00 C ATOM 768 CD PRO A 49 13.231 7.510 -17.086 1.00 0.00 C ATOM 0 HA PRO A 49 10.405 9.252 -16.874 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.411 10.183 -15.249 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.667 8.636 -14.899 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.298 9.208 -16.267 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.921 7.969 -15.085 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.048 7.464 -17.806 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.085 6.499 -16.704 1.00 0.00 H new ATOM 776 N GLU A 50 10.910 11.510 -17.705 1.00 0.00 N ATOM 777 CA GLU A 50 11.066 12.809 -18.389 1.00 0.00 C ATOM 778 C GLU A 50 11.764 13.833 -17.472 1.00 0.00 C ATOM 779 O GLU A 50 11.739 15.041 -17.758 1.00 0.00 O ATOM 780 CB GLU A 50 9.674 13.312 -18.872 1.00 0.00 C ATOM 781 CG GLU A 50 8.935 12.323 -19.806 1.00 0.00 C ATOM 782 CD GLU A 50 9.749 11.937 -21.060 1.00 0.00 C ATOM 783 OE1 GLU A 50 9.754 12.716 -22.041 1.00 0.00 O ATOM 784 OE2 GLU A 50 10.401 10.868 -21.066 1.00 0.00 O ATOM 0 H GLU A 50 10.048 11.433 -17.165 1.00 0.00 H new ATOM 0 HA GLU A 50 11.705 12.683 -19.263 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.049 13.509 -18.001 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.803 14.260 -19.393 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.693 11.419 -19.247 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.990 12.767 -20.118 1.00 0.00 H new ATOM 791 N CYS A 51 12.405 13.319 -16.379 1.00 0.00 N ATOM 792 CA CYS A 51 13.158 14.124 -15.395 1.00 0.00 C ATOM 793 C CYS A 51 12.236 15.160 -14.734 1.00 0.00 C ATOM 794 O CYS A 51 12.588 16.332 -14.592 1.00 0.00 O ATOM 795 CB CYS A 51 14.404 14.764 -16.057 1.00 0.00 C ATOM 796 SG CYS A 51 15.583 13.556 -16.698 1.00 0.00 S ATOM 0 H CYS A 51 12.407 12.322 -16.164 1.00 0.00 H new ATOM 0 HA CYS A 51 13.524 13.474 -14.601 1.00 0.00 H new ATOM 0 HB2 CYS A 51 14.080 15.411 -16.872 1.00 0.00 H new ATOM 0 HB3 CYS A 51 14.907 15.398 -15.327 1.00 0.00 H new ATOM 0 HG CYS A 51 16.591 14.176 -17.235 1.00 0.00 H new ATOM 802 N LEU A 52 11.050 14.671 -14.321 1.00 0.00 N ATOM 803 CA LEU A 52 9.964 15.496 -13.778 1.00 0.00 C ATOM 804 C LEU A 52 10.417 16.337 -12.570 1.00 0.00 C ATOM 805 O LEU A 52 11.038 15.815 -11.634 1.00 0.00 O ATOM 806 CB LEU A 52 8.757 14.605 -13.382 1.00 0.00 C ATOM 807 CG LEU A 52 9.073 13.393 -12.422 1.00 0.00 C ATOM 808 CD1 LEU A 52 7.991 13.237 -11.334 1.00 0.00 C ATOM 809 CD2 LEU A 52 9.256 12.072 -13.218 1.00 0.00 C ATOM 0 H LEU A 52 10.821 13.678 -14.358 1.00 0.00 H new ATOM 0 HA LEU A 52 9.663 16.189 -14.564 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.008 15.236 -12.903 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.307 14.212 -14.294 1.00 0.00 H new ATOM 0 HG LEU A 52 10.016 13.614 -11.922 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.241 12.393 -10.691 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.943 14.147 -10.736 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.024 13.061 -11.805 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.472 11.258 -12.527 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.341 11.848 -13.767 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.083 12.182 -13.920 1.00 0.00 H new ATOM 821 N ASP A 53 10.113 17.639 -12.621 1.00 0.00 N ATOM 822 CA ASP A 53 10.428 18.581 -11.550 1.00 0.00 C ATOM 823 C ASP A 53 9.232 18.648 -10.585 1.00 0.00 C ATOM 824 O ASP A 53 8.144 19.116 -10.954 1.00 0.00 O ATOM 825 CB ASP A 53 10.764 19.981 -12.132 1.00 0.00 C ATOM 826 CG ASP A 53 11.019 21.036 -11.038 1.00 0.00 C ATOM 827 OD1 ASP A 53 12.151 21.101 -10.500 1.00 0.00 O ATOM 828 OD2 ASP A 53 10.087 21.801 -10.705 1.00 0.00 O ATOM 0 H ASP A 53 9.638 18.068 -13.415 1.00 0.00 H new ATOM 0 HA ASP A 53 11.309 18.241 -11.005 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.646 19.903 -12.768 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.942 20.313 -12.766 1.00 0.00 H new ATOM 833 N LEU A 54 9.434 18.125 -9.371 1.00 0.00 N ATOM 834 CA LEU A 54 8.448 18.145 -8.291 1.00 0.00 C ATOM 835 C LEU A 54 8.342 19.585 -7.740 1.00 0.00 C ATOM 836 O LEU A 54 9.062 19.968 -6.812 1.00 0.00 O ATOM 837 CB LEU A 54 8.847 17.122 -7.189 1.00 0.00 C ATOM 838 CG LEU A 54 8.706 15.595 -7.533 1.00 0.00 C ATOM 839 CD1 LEU A 54 9.730 15.135 -8.593 1.00 0.00 C ATOM 840 CD2 LEU A 54 8.801 14.732 -6.257 1.00 0.00 C ATOM 0 H LEU A 54 10.307 17.667 -9.109 1.00 0.00 H new ATOM 0 HA LEU A 54 7.467 17.849 -8.662 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.885 17.311 -6.914 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.242 17.325 -6.306 1.00 0.00 H new ATOM 0 HG LEU A 54 7.717 15.456 -7.969 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.591 14.073 -8.796 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.582 15.702 -9.512 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.740 15.304 -8.221 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.701 13.679 -6.521 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.767 14.895 -5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.003 15.011 -5.569 1.00 0.00 H new ATOM 852 N SER A 55 7.459 20.381 -8.365 1.00 0.00 N ATOM 853 CA SER A 55 7.308 21.824 -8.095 1.00 0.00 C ATOM 854 C SER A 55 6.279 22.105 -6.969 1.00 0.00 C ATOM 855 O SER A 55 5.714 23.203 -6.893 1.00 0.00 O ATOM 856 CB SER A 55 6.897 22.520 -9.420 1.00 0.00 C ATOM 857 OG SER A 55 5.711 21.948 -9.965 1.00 0.00 O ATOM 0 H SER A 55 6.820 20.037 -9.082 1.00 0.00 H new ATOM 0 HA SER A 55 8.257 22.224 -7.738 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.740 23.583 -9.240 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.708 22.436 -10.143 1.00 0.00 H new ATOM 0 HG SER A 55 5.478 22.409 -10.798 1.00 0.00 H new ATOM 863 N ASP A 56 6.090 21.133 -6.061 1.00 0.00 N ATOM 864 CA ASP A 56 5.094 21.218 -4.969 1.00 0.00 C ATOM 865 C ASP A 56 5.668 20.495 -3.721 1.00 0.00 C ATOM 866 O ASP A 56 6.867 20.225 -3.680 1.00 0.00 O ATOM 867 CB ASP A 56 3.749 20.608 -5.480 1.00 0.00 C ATOM 868 CG ASP A 56 2.521 20.986 -4.633 1.00 0.00 C ATOM 869 OD1 ASP A 56 1.981 22.092 -4.811 1.00 0.00 O ATOM 870 OD2 ASP A 56 2.104 20.189 -3.776 1.00 0.00 O ATOM 0 H ASP A 56 6.622 20.263 -6.060 1.00 0.00 H new ATOM 0 HA ASP A 56 4.889 22.247 -4.675 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.582 20.934 -6.507 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.841 19.522 -5.502 1.00 0.00 H new ATOM 875 N ARG A 57 4.843 20.242 -2.689 1.00 0.00 N ATOM 876 CA ARG A 57 5.254 19.491 -1.468 1.00 0.00 C ATOM 877 C ARG A 57 4.112 18.572 -0.973 1.00 0.00 C ATOM 878 O ARG A 57 4.354 17.530 -0.356 1.00 0.00 O ATOM 879 CB ARG A 57 5.700 20.456 -0.319 1.00 0.00 C ATOM 880 CG ARG A 57 4.582 21.329 0.325 1.00 0.00 C ATOM 881 CD ARG A 57 4.046 22.447 -0.587 1.00 0.00 C ATOM 882 NE ARG A 57 2.939 23.191 0.048 1.00 0.00 N ATOM 883 CZ ARG A 57 2.556 24.440 -0.265 1.00 0.00 C ATOM 884 NH1 ARG A 57 3.171 25.133 -1.217 1.00 0.00 N ATOM 885 NH2 ARG A 57 1.546 24.993 0.378 1.00 0.00 N ATOM 0 H ARG A 57 3.870 20.549 -2.669 1.00 0.00 H new ATOM 0 HA ARG A 57 6.109 18.874 -1.744 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.164 19.860 0.467 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.470 21.121 -0.711 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.753 20.682 0.613 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.969 21.777 1.240 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.855 23.136 -0.830 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.702 22.015 -1.527 1.00 0.00 H new ATOM 0 HE ARG A 57 2.421 22.716 0.787 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.951 24.718 -1.727 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.863 26.080 -1.438 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.060 24.473 1.109 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.251 25.941 0.145 1.00 0.00 H new ATOM 899 N ASP A 58 2.872 18.992 -1.245 1.00 0.00 N ATOM 900 CA ASP A 58 1.636 18.287 -0.850 1.00 0.00 C ATOM 901 C ASP A 58 1.193 17.296 -1.962 1.00 0.00 C ATOM 902 O ASP A 58 0.271 16.494 -1.767 1.00 0.00 O ATOM 903 CB ASP A 58 0.550 19.367 -0.575 1.00 0.00 C ATOM 904 CG ASP A 58 -0.714 18.832 0.118 1.00 0.00 C ATOM 905 OD1 ASP A 58 -0.707 18.713 1.358 1.00 0.00 O ATOM 906 OD2 ASP A 58 -1.720 18.543 -0.561 1.00 0.00 O ATOM 0 H ASP A 58 2.689 19.854 -1.759 1.00 0.00 H new ATOM 0 HA ASP A 58 1.799 17.692 0.049 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.984 20.153 0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.264 19.827 -1.521 1.00 0.00 H new ATOM 911 N ILE A 59 1.882 17.372 -3.119 1.00 0.00 N ATOM 912 CA ILE A 59 1.623 16.534 -4.309 1.00 0.00 C ATOM 913 C ILE A 59 1.776 15.028 -3.984 1.00 0.00 C ATOM 914 O ILE A 59 2.748 14.612 -3.351 1.00 0.00 O ATOM 915 CB ILE A 59 2.565 16.970 -5.496 1.00 0.00 C ATOM 916 CG1 ILE A 59 2.281 16.156 -6.797 1.00 0.00 C ATOM 917 CG2 ILE A 59 4.058 16.882 -5.103 1.00 0.00 C ATOM 918 CD1 ILE A 59 3.101 16.595 -8.000 1.00 0.00 C ATOM 0 H ILE A 59 2.649 18.030 -3.255 1.00 0.00 H new ATOM 0 HA ILE A 59 0.590 16.687 -4.620 1.00 0.00 H new ATOM 0 HB ILE A 59 2.338 18.015 -5.708 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.478 15.102 -6.603 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.222 16.242 -7.042 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.675 17.190 -5.947 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.250 17.538 -4.254 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.303 15.855 -4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.843 15.979 -8.861 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.887 17.640 -8.224 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.162 16.482 -7.778 1.00 0.00 H new ATOM 930 N THR A 60 0.782 14.238 -4.406 1.00 0.00 N ATOM 931 CA THR A 60 0.649 12.821 -4.028 1.00 0.00 C ATOM 932 C THR A 60 1.240 11.866 -5.090 1.00 0.00 C ATOM 933 O THR A 60 1.528 12.276 -6.219 1.00 0.00 O ATOM 934 CB THR A 60 -0.853 12.476 -3.789 1.00 0.00 C ATOM 935 OG1 THR A 60 -1.619 12.771 -4.967 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.434 13.243 -2.584 1.00 0.00 C ATOM 0 H THR A 60 0.040 14.564 -5.025 1.00 0.00 H new ATOM 0 HA THR A 60 1.219 12.678 -3.110 1.00 0.00 H new ATOM 0 HB THR A 60 -0.914 11.411 -3.567 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.561 12.550 -4.809 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.482 12.974 -2.452 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.877 12.983 -1.684 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.354 14.315 -2.763 1.00 0.00 H new ATOM 944 N LEU A 61 1.371 10.573 -4.709 1.00 0.00 N ATOM 945 CA LEU A 61 1.900 9.501 -5.587 1.00 0.00 C ATOM 946 C LEU A 61 0.921 9.168 -6.724 1.00 0.00 C ATOM 947 O LEU A 61 1.307 8.559 -7.723 1.00 0.00 O ATOM 948 CB LEU A 61 2.178 8.217 -4.769 1.00 0.00 C ATOM 949 CG LEU A 61 3.072 8.385 -3.508 1.00 0.00 C ATOM 950 CD1 LEU A 61 3.340 7.024 -2.843 1.00 0.00 C ATOM 951 CD2 LEU A 61 4.381 9.134 -3.834 1.00 0.00 C ATOM 0 H LEU A 61 1.112 10.242 -3.780 1.00 0.00 H new ATOM 0 HA LEU A 61 2.829 9.870 -6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.222 7.796 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.648 7.487 -5.427 1.00 0.00 H new ATOM 0 HG LEU A 61 2.529 9.001 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.967 7.166 -1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.394 6.572 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.849 6.368 -3.549 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.979 9.232 -2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.944 8.575 -4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.146 10.125 -4.223 1.00 0.00 H new ATOM 963 N GLY A 62 -0.356 9.538 -6.527 1.00 0.00 N ATOM 964 CA GLY A 62 -1.379 9.400 -7.562 1.00 0.00 C ATOM 965 C GLY A 62 -1.148 10.343 -8.738 1.00 0.00 C ATOM 966 O GLY A 62 -1.528 10.032 -9.869 1.00 0.00 O ATOM 0 H GLY A 62 -0.699 9.936 -5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.391 8.371 -7.922 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.359 9.598 -7.129 1.00 0.00 H new ATOM 970 N ASP A 63 -0.514 11.500 -8.463 1.00 0.00 N ATOM 971 CA ASP A 63 -0.150 12.489 -9.499 1.00 0.00 C ATOM 972 C ASP A 63 1.241 12.151 -10.080 1.00 0.00 C ATOM 973 O ASP A 63 1.477 12.281 -11.285 1.00 0.00 O ATOM 974 CB ASP A 63 -0.164 13.921 -8.899 1.00 0.00 C ATOM 975 CG ASP A 63 -0.039 15.019 -9.972 1.00 0.00 C ATOM 976 OD1 ASP A 63 1.090 15.418 -10.327 1.00 0.00 O ATOM 977 OD2 ASP A 63 -1.076 15.477 -10.487 1.00 0.00 O ATOM 0 H ASP A 63 -0.240 11.775 -7.520 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.882 12.450 -10.306 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.089 14.068 -8.342 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.656 14.020 -8.187 1.00 0.00 H new ATOM 982 N LEU A 64 2.150 11.720 -9.190 1.00 0.00 N ATOM 983 CA LEU A 64 3.540 11.359 -9.536 1.00 0.00 C ATOM 984 C LEU A 64 3.620 9.932 -10.158 1.00 0.00 C ATOM 985 O LEU A 64 2.736 9.117 -9.925 1.00 0.00 O ATOM 986 CB LEU A 64 4.417 11.463 -8.256 1.00 0.00 C ATOM 987 CG LEU A 64 4.620 12.901 -7.678 1.00 0.00 C ATOM 988 CD1 LEU A 64 5.362 12.866 -6.320 1.00 0.00 C ATOM 989 CD2 LEU A 64 5.361 13.806 -8.697 1.00 0.00 C ATOM 0 H LEU A 64 1.941 11.610 -8.198 1.00 0.00 H new ATOM 0 HA LEU A 64 3.913 12.052 -10.290 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.968 10.842 -7.481 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.397 11.040 -8.476 1.00 0.00 H new ATOM 0 HG LEU A 64 3.634 13.329 -7.500 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.486 13.883 -5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.782 12.285 -5.603 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.341 12.406 -6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.491 14.802 -8.272 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.338 13.377 -8.922 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.776 13.876 -9.614 1.00 0.00 H new ATOM 1001 N PRO A 65 4.690 9.606 -10.968 1.00 0.00 N ATOM 1002 CA PRO A 65 4.862 8.265 -11.626 1.00 0.00 C ATOM 1003 C PRO A 65 5.264 7.104 -10.672 1.00 0.00 C ATOM 1004 O PRO A 65 5.735 6.059 -11.147 1.00 0.00 O ATOM 1005 CB PRO A 65 5.973 8.532 -12.699 1.00 0.00 C ATOM 1006 CG PRO A 65 6.098 10.024 -12.770 1.00 0.00 C ATOM 1007 CD PRO A 65 5.775 10.514 -11.383 1.00 0.00 C ATOM 0 HA PRO A 65 3.914 7.914 -12.033 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.918 8.071 -12.411 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.695 8.113 -13.666 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.103 10.321 -13.068 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.411 10.442 -13.505 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.636 10.447 -10.718 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.454 11.556 -11.385 1.00 0.00 H new ATOM 1015 N ILE A 66 5.054 7.278 -9.348 1.00 0.00 N ATOM 1016 CA ILE A 66 5.249 6.200 -8.357 1.00 0.00 C ATOM 1017 C ILE A 66 4.087 5.210 -8.525 1.00 0.00 C ATOM 1018 O ILE A 66 2.921 5.616 -8.510 1.00 0.00 O ATOM 1019 CB ILE A 66 5.296 6.705 -6.847 1.00 0.00 C ATOM 1020 CG1 ILE A 66 6.579 7.546 -6.521 1.00 0.00 C ATOM 1021 CG2 ILE A 66 5.191 5.522 -5.846 1.00 0.00 C ATOM 1022 CD1 ILE A 66 6.669 8.895 -7.194 1.00 0.00 C ATOM 0 H ILE A 66 4.747 8.162 -8.941 1.00 0.00 H new ATOM 0 HA ILE A 66 6.221 5.745 -8.547 1.00 0.00 H new ATOM 0 HB ILE A 66 4.430 7.357 -6.732 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.628 7.695 -5.442 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.455 6.961 -6.802 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.226 5.904 -4.826 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.250 4.995 -6.003 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.023 4.836 -6.005 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.595 9.388 -6.898 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.658 8.763 -8.276 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.819 9.508 -6.895 1.00 0.00 H new ATOM 1034 N GLN A 67 4.416 3.930 -8.752 1.00 0.00 N ATOM 1035 CA GLN A 67 3.423 2.847 -8.853 1.00 0.00 C ATOM 1036 C GLN A 67 3.677 1.801 -7.753 1.00 0.00 C ATOM 1037 O GLN A 67 4.710 1.847 -7.060 1.00 0.00 O ATOM 1038 CB GLN A 67 3.468 2.212 -10.268 1.00 0.00 C ATOM 1039 CG GLN A 67 3.361 3.239 -11.431 1.00 0.00 C ATOM 1040 CD GLN A 67 3.060 2.626 -12.802 1.00 0.00 C ATOM 1041 OE1 GLN A 67 3.494 3.142 -13.833 1.00 0.00 O ATOM 1042 NE2 GLN A 67 2.284 1.547 -12.837 1.00 0.00 N ATOM 0 H GLN A 67 5.379 3.615 -8.871 1.00 0.00 H new ATOM 0 HA GLN A 67 2.423 3.254 -8.705 1.00 0.00 H new ATOM 0 HB2 GLN A 67 4.399 1.655 -10.375 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.654 1.493 -10.357 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.579 3.959 -11.191 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.297 3.794 -11.494 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.938 1.139 -11.968 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.035 1.127 -13.732 1.00 0.00 H new ATOM 1051 N SER A 68 2.725 0.868 -7.590 1.00 0.00 N ATOM 1052 CA SER A 68 2.784 -0.174 -6.555 1.00 0.00 C ATOM 1053 C SER A 68 3.920 -1.183 -6.852 1.00 0.00 C ATOM 1054 O SER A 68 3.756 -2.098 -7.668 1.00 0.00 O ATOM 1055 CB SER A 68 1.397 -0.859 -6.450 1.00 0.00 C ATOM 1056 OG SER A 68 0.933 -1.305 -7.713 1.00 0.00 O ATOM 0 H SER A 68 1.891 0.816 -8.175 1.00 0.00 H new ATOM 0 HA SER A 68 3.018 0.274 -5.589 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.461 -1.706 -5.766 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.677 -0.159 -6.025 1.00 0.00 H new ATOM 0 HG SER A 68 1.649 -1.793 -8.171 1.00 0.00 H new ATOM 1062 N GLY A 69 5.088 -0.962 -6.216 1.00 0.00 N ATOM 1063 CA GLY A 69 6.264 -1.823 -6.400 1.00 0.00 C ATOM 1064 C GLY A 69 7.132 -1.416 -7.584 1.00 0.00 C ATOM 1065 O GLY A 69 7.861 -2.247 -8.132 1.00 0.00 O ATOM 0 H GLY A 69 5.238 -0.189 -5.568 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.867 -1.801 -5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.933 -2.852 -6.538 1.00 0.00 H new ATOM 1069 N ASP A 70 7.064 -0.128 -7.968 1.00 0.00 N ATOM 1070 CA ASP A 70 7.807 0.415 -9.129 1.00 0.00 C ATOM 1071 C ASP A 70 9.272 0.709 -8.749 1.00 0.00 C ATOM 1072 O ASP A 70 9.586 0.908 -7.569 1.00 0.00 O ATOM 1073 CB ASP A 70 7.111 1.706 -9.636 1.00 0.00 C ATOM 1074 CG ASP A 70 7.552 2.137 -11.052 1.00 0.00 C ATOM 1075 OD1 ASP A 70 8.540 2.891 -11.190 1.00 0.00 O ATOM 1076 OD2 ASP A 70 6.914 1.695 -12.034 1.00 0.00 O ATOM 0 H ASP A 70 6.495 0.567 -7.486 1.00 0.00 H new ATOM 0 HA ASP A 70 7.807 -0.328 -9.926 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.032 1.551 -9.633 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.318 2.517 -8.938 1.00 0.00 H new ATOM 1081 N MET A 71 10.147 0.760 -9.767 1.00 0.00 N ATOM 1082 CA MET A 71 11.579 1.037 -9.594 1.00 0.00 C ATOM 1083 C MET A 71 11.818 2.557 -9.604 1.00 0.00 C ATOM 1084 O MET A 71 11.861 3.178 -10.670 1.00 0.00 O ATOM 1085 CB MET A 71 12.413 0.348 -10.715 1.00 0.00 C ATOM 1086 CG MET A 71 13.954 0.526 -10.611 1.00 0.00 C ATOM 1087 SD MET A 71 14.824 -0.931 -9.973 1.00 0.00 S ATOM 1088 CE MET A 71 14.210 -1.043 -8.297 1.00 0.00 C ATOM 0 H MET A 71 9.877 0.609 -10.739 1.00 0.00 H new ATOM 0 HA MET A 71 11.902 0.631 -8.635 1.00 0.00 H new ATOM 0 HB2 MET A 71 12.187 -0.718 -10.708 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.084 0.737 -11.679 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.349 0.769 -11.598 1.00 0.00 H new ATOM 0 HG3 MET A 71 14.168 1.377 -9.964 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.707 -1.865 -7.781 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.413 -0.109 -7.772 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.135 -1.223 -8.315 1.00 0.00 H new ATOM 1098 N LEU A 72 11.923 3.143 -8.407 1.00 0.00 N ATOM 1099 CA LEU A 72 12.244 4.568 -8.227 1.00 0.00 C ATOM 1100 C LEU A 72 13.758 4.728 -8.008 1.00 0.00 C ATOM 1101 O LEU A 72 14.277 4.371 -6.946 1.00 0.00 O ATOM 1102 CB LEU A 72 11.422 5.178 -7.043 1.00 0.00 C ATOM 1103 CG LEU A 72 9.984 5.698 -7.392 1.00 0.00 C ATOM 1104 CD1 LEU A 72 10.045 6.904 -8.350 1.00 0.00 C ATOM 1105 CD2 LEU A 72 9.082 4.585 -7.966 1.00 0.00 C ATOM 0 H LEU A 72 11.787 2.642 -7.529 1.00 0.00 H new ATOM 0 HA LEU A 72 11.965 5.117 -9.126 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.333 4.422 -6.263 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.992 6.006 -6.621 1.00 0.00 H new ATOM 0 HG LEU A 72 9.532 6.026 -6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.033 7.242 -8.574 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.603 7.714 -7.880 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.542 6.610 -9.274 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.097 4.995 -8.192 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.528 4.189 -8.878 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.982 3.784 -7.234 1.00 0.00 H new ATOM 1117 N ILE A 73 14.448 5.249 -9.040 1.00 0.00 N ATOM 1118 CA ILE A 73 15.894 5.479 -9.021 1.00 0.00 C ATOM 1119 C ILE A 73 16.186 6.733 -8.180 1.00 0.00 C ATOM 1120 O ILE A 73 16.082 7.874 -8.655 1.00 0.00 O ATOM 1121 CB ILE A 73 16.533 5.613 -10.469 1.00 0.00 C ATOM 1122 CG1 ILE A 73 16.406 4.279 -11.296 1.00 0.00 C ATOM 1123 CG2 ILE A 73 18.025 6.053 -10.389 1.00 0.00 C ATOM 1124 CD1 ILE A 73 15.010 3.925 -11.780 1.00 0.00 C ATOM 0 H ILE A 73 14.006 5.523 -9.918 1.00 0.00 H new ATOM 0 HA ILE A 73 16.361 4.601 -8.575 1.00 0.00 H new ATOM 0 HB ILE A 73 15.968 6.386 -10.990 1.00 0.00 H new ATOM 0 HG12 ILE A 73 17.063 4.349 -12.163 1.00 0.00 H new ATOM 0 HG13 ILE A 73 16.775 3.458 -10.682 1.00 0.00 H new ATOM 0 HG21 ILE A 73 18.434 6.136 -11.396 1.00 0.00 H new ATOM 0 HG22 ILE A 73 18.093 7.019 -9.889 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.593 5.312 -9.826 1.00 0.00 H new ATOM 0 HD11 ILE A 73 15.044 2.988 -12.337 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.345 3.814 -10.923 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.637 4.719 -12.428 1.00 0.00 H new ATOM 1136 N VAL A 74 16.453 6.481 -6.905 1.00 0.00 N ATOM 1137 CA VAL A 74 16.951 7.469 -5.965 1.00 0.00 C ATOM 1138 C VAL A 74 18.476 7.589 -6.126 1.00 0.00 C ATOM 1139 O VAL A 74 19.235 6.703 -5.704 1.00 0.00 O ATOM 1140 CB VAL A 74 16.569 7.070 -4.494 1.00 0.00 C ATOM 1141 CG1 VAL A 74 17.230 7.998 -3.451 1.00 0.00 C ATOM 1142 CG2 VAL A 74 15.030 7.045 -4.316 1.00 0.00 C ATOM 0 H VAL A 74 16.325 5.559 -6.488 1.00 0.00 H new ATOM 0 HA VAL A 74 16.493 8.436 -6.173 1.00 0.00 H new ATOM 0 HB VAL A 74 16.955 6.066 -4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 74 16.938 7.685 -2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 74 18.314 7.940 -3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 74 16.905 9.025 -3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 74 14.787 6.766 -3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 74 14.623 8.033 -4.530 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.596 6.318 -5.002 1.00 0.00 H new ATOM 1152 N GLU A 75 18.902 8.666 -6.786 1.00 0.00 N ATOM 1153 CA GLU A 75 20.324 9.011 -6.929 1.00 0.00 C ATOM 1154 C GLU A 75 20.846 9.666 -5.634 1.00 0.00 C ATOM 1155 O GLU A 75 20.065 10.002 -4.739 1.00 0.00 O ATOM 1156 CB GLU A 75 20.512 9.974 -8.123 1.00 0.00 C ATOM 1157 CG GLU A 75 19.731 11.294 -7.986 1.00 0.00 C ATOM 1158 CD GLU A 75 20.005 12.269 -9.127 1.00 0.00 C ATOM 1159 OE1 GLU A 75 19.454 12.072 -10.226 1.00 0.00 O ATOM 1160 OE2 GLU A 75 20.786 13.227 -8.940 1.00 0.00 O ATOM 0 H GLU A 75 18.272 9.328 -7.239 1.00 0.00 H new ATOM 0 HA GLU A 75 20.892 8.099 -7.113 1.00 0.00 H new ATOM 0 HB2 GLU A 75 21.573 10.200 -8.232 1.00 0.00 H new ATOM 0 HB3 GLU A 75 20.198 9.470 -9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 75 18.664 11.076 -7.950 1.00 0.00 H new ATOM 0 HG3 GLU A 75 19.992 11.768 -7.040 1.00 0.00 H new ATOM 1167 N GLU A 76 22.166 9.839 -5.558 1.00 0.00 N ATOM 1168 CA GLU A 76 22.842 10.543 -4.462 1.00 0.00 C ATOM 1169 C GLU A 76 23.792 11.586 -5.056 1.00 0.00 C ATOM 1170 O GLU A 76 24.830 11.234 -5.628 1.00 0.00 O ATOM 1171 CB GLU A 76 23.609 9.524 -3.584 1.00 0.00 C ATOM 1172 CG GLU A 76 24.416 10.130 -2.416 1.00 0.00 C ATOM 1173 CD GLU A 76 25.088 9.051 -1.551 1.00 0.00 C ATOM 1174 OE1 GLU A 76 25.992 8.357 -2.057 1.00 0.00 O ATOM 1175 OE2 GLU A 76 24.703 8.873 -0.372 1.00 0.00 O ATOM 0 H GLU A 76 22.809 9.488 -6.268 1.00 0.00 H new ATOM 0 HA GLU A 76 22.113 11.051 -3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.893 8.810 -3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.292 8.962 -4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 76 25.178 10.801 -2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.754 10.732 -1.793 1.00 0.00 H new ATOM 1182 N ASP A 77 23.416 12.869 -4.945 1.00 0.00 N ATOM 1183 CA ASP A 77 24.229 13.991 -5.457 1.00 0.00 C ATOM 1184 C ASP A 77 25.382 14.351 -4.479 1.00 0.00 C ATOM 1185 O ASP A 77 26.204 15.221 -4.786 1.00 0.00 O ATOM 1186 CB ASP A 77 23.308 15.214 -5.747 1.00 0.00 C ATOM 1187 CG ASP A 77 23.960 16.275 -6.660 1.00 0.00 C ATOM 1188 OD1 ASP A 77 24.386 15.913 -7.776 1.00 0.00 O ATOM 1189 OD2 ASP A 77 24.047 17.463 -6.283 1.00 0.00 O ATOM 0 H ASP A 77 22.545 13.161 -4.501 1.00 0.00 H new ATOM 0 HA ASP A 77 24.702 13.687 -6.391 1.00 0.00 H new ATOM 0 HB2 ASP A 77 22.387 14.863 -6.212 1.00 0.00 H new ATOM 0 HB3 ASP A 77 23.030 15.681 -4.802 1.00 0.00 H new