USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 481 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 Single : A 1 GLY N :NH3+ -125:sc= 0.0994 (180deg=0) USER MOD Single : A 3 MET CE :methyl 163:sc=-0.00576 (180deg=-0.186) USER MOD Single : A 9 THR OG1 : rot 10:sc= 0.973 USER MOD Single : A 10 MET CE :methyl -178:sc= -10.5! (180deg=-10.8!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -130:sc= 0.6 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 21 SER OG : rot 170:sc= 0.00624 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= -0.494 F(o=-1.4,f=-0.49) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.887 F(o=-4.6!,f=-0.89) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.609 F(o=-1.5,f=-0.61) USER MOD Single : A 42 TYR OH : rot -130:sc= -0.377 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -140:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -160:sc= 0.226 USER MOD Single : A 62 GLN :FLIP amide:sc= -5.22! C(o=-13!,f=-5.2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -2.5 K(o=-2.5,f=-3!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.706 21.270 7.612 1.00 42.41 N ATOM 2 CA GLY A 1 -5.880 20.330 6.877 1.00 4.45 C ATOM 3 C GLY A 1 -4.706 19.828 7.693 1.00 65.05 C ATOM 4 O GLY A 1 -4.543 20.203 8.854 1.00 14.53 O ATOM 0 H1 GLY A 1 -7.692 20.938 7.614 1.00 42.41 H new ATOM 0 H2 GLY A 1 -6.363 21.342 8.591 1.00 42.41 H new ATOM 0 H3 GLY A 1 -6.657 22.204 7.158 1.00 42.41 H new ATOM 0 HA2 GLY A 1 -6.490 19.482 6.564 1.00 4.45 H new ATOM 0 HA3 GLY A 1 -5.510 20.808 5.970 1.00 4.45 H new ATOM 8 N ALA A 2 -3.887 18.974 7.087 1.00 5.45 N ATOM 9 CA ALA A 2 -2.723 18.419 7.766 1.00 11.01 C ATOM 10 C ALA A 2 -1.685 17.930 6.762 1.00 61.44 C ATOM 11 O ALA A 2 -1.906 16.946 6.057 1.00 24.52 O ATOM 12 CB ALA A 2 -3.141 17.287 8.691 1.00 24.11 C ATOM 0 H ALA A 2 -4.009 18.652 6.127 1.00 5.45 H new ATOM 0 HA ALA A 2 -2.269 19.210 8.363 1.00 11.01 H new ATOM 0 HB1 ALA A 2 -2.261 16.882 9.191 1.00 24.11 H new ATOM 0 HB2 ALA A 2 -3.840 17.666 9.436 1.00 24.11 H new ATOM 0 HB3 ALA A 2 -3.622 16.500 8.109 1.00 24.11 H new ATOM 18 N MET A 3 -0.552 18.622 6.704 1.00 20.14 N ATOM 19 CA MET A 3 0.520 18.256 5.785 1.00 71.52 C ATOM 20 C MET A 3 1.668 17.583 6.532 1.00 51.31 C ATOM 21 O MET A 3 2.497 18.253 7.148 1.00 72.50 O ATOM 22 CB MET A 3 1.032 19.494 5.046 1.00 72.33 C ATOM 23 CG MET A 3 0.801 19.443 3.544 1.00 62.54 C ATOM 24 SD MET A 3 1.912 20.533 2.634 1.00 70.32 S ATOM 25 CE MET A 3 3.445 19.613 2.731 1.00 12.21 C ATOM 0 H MET A 3 -0.352 19.439 7.282 1.00 20.14 H new ATOM 0 HA MET A 3 0.118 17.550 5.059 1.00 71.52 H new ATOM 0 HB2 MET A 3 0.540 20.378 5.451 1.00 72.33 H new ATOM 0 HB3 MET A 3 2.099 19.606 5.238 1.00 72.33 H new ATOM 0 HG2 MET A 3 0.935 18.419 3.194 1.00 62.54 H new ATOM 0 HG3 MET A 3 -0.231 19.721 3.329 1.00 62.54 H new ATOM 0 HE1 MET A 3 4.141 19.986 1.980 1.00 12.21 H new ATOM 0 HE2 MET A 3 3.881 19.735 3.723 1.00 12.21 H new ATOM 0 HE3 MET A 3 3.247 18.557 2.549 1.00 12.21 H new ATOM 33 N GLY A 4 1.711 16.255 6.472 1.00 4.41 N ATOM 34 CA GLY A 4 2.761 15.515 7.147 1.00 3.35 C ATOM 35 C GLY A 4 3.682 14.802 6.177 1.00 10.51 C ATOM 36 O GLY A 4 3.264 14.341 5.116 1.00 35.15 O ATOM 0 H GLY A 4 1.037 15.679 5.968 1.00 4.41 H new ATOM 0 HA2 GLY A 4 3.345 16.199 7.762 1.00 3.35 H new ATOM 0 HA3 GLY A 4 2.312 14.785 7.820 1.00 3.35 H new ATOM 40 N PRO A 5 4.970 14.705 6.541 1.00 12.31 N ATOM 41 CA PRO A 5 5.980 14.045 5.709 1.00 33.51 C ATOM 42 C PRO A 5 5.782 12.534 5.646 1.00 21.12 C ATOM 43 O PRO A 5 6.574 11.820 5.032 1.00 32.22 O ATOM 44 CB PRO A 5 7.296 14.383 6.413 1.00 12.02 C ATOM 45 CG PRO A 5 6.915 14.627 7.832 1.00 2.21 C ATOM 46 CD PRO A 5 5.539 15.232 7.792 1.00 65.03 C ATOM 0 HA PRO A 5 5.937 14.381 4.673 1.00 33.51 H new ATOM 0 HB2 PRO A 5 8.011 13.564 6.330 1.00 12.02 H new ATOM 0 HB3 PRO A 5 7.766 15.262 5.973 1.00 12.02 H new ATOM 0 HG2 PRO A 5 6.917 13.698 8.402 1.00 2.21 H new ATOM 0 HG3 PRO A 5 7.623 15.299 8.316 1.00 2.21 H new ATOM 0 HD2 PRO A 5 4.946 14.938 8.658 1.00 65.03 H new ATOM 0 HD3 PRO A 5 5.579 16.321 7.788 1.00 65.03 H new ATOM 51 N ARG A 6 4.720 12.054 6.285 1.00 10.12 N ATOM 52 CA ARG A 6 4.420 10.628 6.302 1.00 65.31 C ATOM 53 C ARG A 6 4.289 10.082 4.883 1.00 2.01 C ATOM 54 O ARG A 6 3.245 10.225 4.247 1.00 13.41 O ATOM 55 CB ARG A 6 3.128 10.367 7.081 1.00 15.11 C ATOM 56 CG ARG A 6 3.112 10.998 8.463 1.00 42.04 C ATOM 57 CD ARG A 6 1.697 11.335 8.905 1.00 52.13 C ATOM 58 NE ARG A 6 1.502 12.773 9.071 1.00 34.33 N ATOM 59 CZ ARG A 6 1.990 13.467 10.093 1.00 5.13 C ATOM 60 NH1 ARG A 6 2.696 12.860 11.036 1.00 72.22 N ATOM 61 NH2 ARG A 6 1.770 14.774 10.173 1.00 54.12 N ATOM 0 H ARG A 6 4.054 12.632 6.797 1.00 10.12 H new ATOM 0 HA ARG A 6 5.245 10.115 6.795 1.00 65.31 H new ATOM 0 HB2 ARG A 6 2.284 10.749 6.507 1.00 15.11 H new ATOM 0 HB3 ARG A 6 2.985 9.291 7.181 1.00 15.11 H new ATOM 0 HG2 ARG A 6 3.566 10.315 9.181 1.00 42.04 H new ATOM 0 HG3 ARG A 6 3.718 11.904 8.458 1.00 42.04 H new ATOM 0 HD2 ARG A 6 0.988 10.956 8.169 1.00 52.13 H new ATOM 0 HD3 ARG A 6 1.481 10.829 9.846 1.00 52.13 H new ATOM 0 HE ARG A 6 0.962 13.271 8.364 1.00 34.33 H new ATOM 0 HH11 ARG A 6 2.867 11.856 10.979 1.00 72.22 H new ATOM 0 HH12 ARG A 6 3.069 13.397 11.819 1.00 72.22 H new ATOM 0 HH21 ARG A 6 1.226 15.245 9.450 1.00 54.12 H new ATOM 0 HH22 ARG A 6 2.145 15.307 10.958 1.00 54.12 H new ATOM 72 N GLU A 7 5.356 9.458 4.395 1.00 31.25 N ATOM 73 CA GLU A 7 5.361 8.893 3.050 1.00 51.34 C ATOM 74 C GLU A 7 5.390 7.368 3.101 1.00 71.03 C ATOM 75 O GLU A 7 6.287 6.773 3.698 1.00 61.13 O ATOM 76 CB GLU A 7 6.564 9.411 2.259 1.00 1.43 C ATOM 77 CG GLU A 7 6.562 10.918 2.067 1.00 1.54 C ATOM 78 CD GLU A 7 7.724 11.597 2.767 1.00 21.43 C ATOM 79 OE1 GLU A 7 8.756 10.928 2.986 1.00 44.32 O ATOM 80 OE2 GLU A 7 7.601 12.796 3.094 1.00 32.05 O ATOM 0 H GLU A 7 6.227 9.331 4.910 1.00 31.25 H new ATOM 0 HA GLU A 7 4.445 9.205 2.549 1.00 51.34 H new ATOM 0 HB2 GLU A 7 7.480 9.120 2.774 1.00 1.43 H new ATOM 0 HB3 GLU A 7 6.581 8.929 1.282 1.00 1.43 H new ATOM 0 HG2 GLU A 7 6.602 11.145 1.002 1.00 1.54 H new ATOM 0 HG3 GLU A 7 5.625 11.327 2.445 1.00 1.54 H new ATOM 85 N VAL A 8 4.403 6.742 2.470 1.00 23.21 N ATOM 86 CA VAL A 8 4.314 5.286 2.443 1.00 12.12 C ATOM 87 C VAL A 8 4.805 4.731 1.110 1.00 13.12 C ATOM 88 O VAL A 8 4.245 5.032 0.055 1.00 34.33 O ATOM 89 CB VAL A 8 2.871 4.806 2.685 1.00 0.43 C ATOM 90 CG1 VAL A 8 1.904 5.532 1.762 1.00 44.32 C ATOM 91 CG2 VAL A 8 2.771 3.300 2.498 1.00 15.35 C ATOM 0 H VAL A 8 3.653 7.220 1.970 1.00 23.21 H new ATOM 0 HA VAL A 8 4.951 4.915 3.246 1.00 12.12 H new ATOM 0 HB VAL A 8 2.598 5.040 3.714 1.00 0.43 H new ATOM 0 HG11 VAL A 8 0.890 5.179 1.948 1.00 44.32 H new ATOM 0 HG12 VAL A 8 1.956 6.604 1.951 1.00 44.32 H new ATOM 0 HG13 VAL A 8 2.173 5.333 0.725 1.00 44.32 H new ATOM 0 HG21 VAL A 8 1.744 2.979 2.673 1.00 15.35 H new ATOM 0 HG22 VAL A 8 3.064 3.039 1.481 1.00 15.35 H new ATOM 0 HG23 VAL A 8 3.433 2.801 3.206 1.00 15.35 H new ATOM 101 N THR A 9 5.855 3.918 1.164 1.00 52.43 N ATOM 102 CA THR A 9 6.423 3.321 -0.037 1.00 12.12 C ATOM 103 C THR A 9 6.521 1.806 0.095 1.00 25.00 C ATOM 104 O THR A 9 7.268 1.293 0.928 1.00 22.21 O ATOM 105 CB THR A 9 7.822 3.890 -0.340 1.00 72.23 C ATOM 106 OG1 THR A 9 8.763 3.422 0.633 1.00 23.44 O ATOM 107 CG2 THR A 9 7.800 5.411 -0.341 1.00 54.43 C ATOM 0 H THR A 9 6.330 3.658 2.029 1.00 52.43 H new ATOM 0 HA THR A 9 5.752 3.568 -0.860 1.00 12.12 H new ATOM 0 HB THR A 9 8.122 3.547 -1.330 1.00 72.23 H new ATOM 0 HG1 THR A 9 8.347 2.724 1.181 1.00 23.44 H new ATOM 0 HG21 THR A 9 8.799 5.789 -0.557 1.00 54.43 H new ATOM 0 HG22 THR A 9 7.105 5.764 -1.103 1.00 54.43 H new ATOM 0 HG23 THR A 9 7.480 5.771 0.637 1.00 54.43 H new ATOM 115 N MET A 10 5.762 1.095 -0.733 1.00 71.14 N ATOM 116 CA MET A 10 5.765 -0.364 -0.708 1.00 23.02 C ATOM 117 C MET A 10 6.978 -0.917 -1.449 1.00 71.41 C ATOM 118 O MET A 10 7.065 -0.827 -2.674 1.00 43.53 O ATOM 119 CB MET A 10 4.479 -0.908 -1.333 1.00 62.14 C ATOM 120 CG MET A 10 3.234 -0.134 -0.933 1.00 11.14 C ATOM 121 SD MET A 10 1.790 -0.586 -1.914 1.00 2.31 S ATOM 122 CE MET A 10 2.172 0.217 -3.469 1.00 53.42 C ATOM 0 H MET A 10 5.138 1.504 -1.428 1.00 71.14 H new ATOM 0 HA MET A 10 5.819 -0.685 0.332 1.00 23.02 H new ATOM 0 HB2 MET A 10 4.576 -0.888 -2.419 1.00 62.14 H new ATOM 0 HB3 MET A 10 4.357 -1.952 -1.043 1.00 62.14 H new ATOM 0 HG2 MET A 10 3.023 -0.313 0.121 1.00 11.14 H new ATOM 0 HG3 MET A 10 3.424 0.934 -1.043 1.00 11.14 H new ATOM 0 HE1 MET A 10 1.353 0.059 -4.171 1.00 53.42 H new ATOM 0 HE2 MET A 10 2.307 1.286 -3.303 1.00 53.42 H new ATOM 0 HE3 MET A 10 3.089 -0.205 -3.881 1.00 53.42 H new ATOM 130 N LYS A 11 7.913 -1.490 -0.698 1.00 75.21 N ATOM 131 CA LYS A 11 9.121 -2.059 -1.283 1.00 33.25 C ATOM 132 C LYS A 11 8.918 -3.532 -1.626 1.00 14.33 C ATOM 133 O LYS A 11 8.458 -4.315 -0.795 1.00 30.44 O ATOM 134 CB LYS A 11 10.300 -1.907 -0.319 1.00 72.31 C ATOM 135 CG LYS A 11 11.607 -2.452 -0.866 1.00 73.42 C ATOM 136 CD LYS A 11 12.264 -1.473 -1.824 1.00 3.10 C ATOM 137 CE LYS A 11 12.863 -2.185 -3.027 1.00 73.24 C ATOM 138 NZ LYS A 11 13.440 -1.226 -4.008 1.00 11.41 N ATOM 0 H LYS A 11 7.857 -1.572 0.317 1.00 75.21 H new ATOM 0 HA LYS A 11 9.339 -1.516 -2.203 1.00 33.25 H new ATOM 0 HB2 LYS A 11 10.428 -0.852 -0.079 1.00 72.31 H new ATOM 0 HB3 LYS A 11 10.064 -2.420 0.614 1.00 72.31 H new ATOM 0 HG2 LYS A 11 12.286 -2.666 -0.041 1.00 73.42 H new ATOM 0 HG3 LYS A 11 11.422 -3.396 -1.379 1.00 73.42 H new ATOM 0 HD2 LYS A 11 11.528 -0.743 -2.161 1.00 3.10 H new ATOM 0 HD3 LYS A 11 13.045 -0.920 -1.302 1.00 3.10 H new ATOM 0 HE2 LYS A 11 13.639 -2.873 -2.692 1.00 73.24 H new ATOM 0 HE3 LYS A 11 12.094 -2.784 -3.514 1.00 73.24 H new ATOM 0 HZ1 LYS A 11 13.838 -1.750 -4.813 1.00 11.41 H new ATOM 0 HZ2 LYS A 11 12.694 -0.585 -4.347 1.00 11.41 H new ATOM 0 HZ3 LYS A 11 14.191 -0.671 -3.550 1.00 11.41 H new ATOM 148 N LYS A 12 9.267 -3.902 -2.853 1.00 20.35 N ATOM 149 CA LYS A 12 9.125 -5.281 -3.307 1.00 52.44 C ATOM 150 C LYS A 12 9.597 -6.257 -2.233 1.00 70.11 C ATOM 151 O LYS A 12 10.787 -6.330 -1.927 1.00 31.52 O ATOM 152 CB LYS A 12 9.920 -5.500 -4.595 1.00 21.32 C ATOM 153 CG LYS A 12 9.385 -6.631 -5.455 1.00 30.51 C ATOM 154 CD LYS A 12 9.541 -6.329 -6.936 1.00 12.52 C ATOM 155 CE LYS A 12 9.875 -7.583 -7.729 1.00 30.31 C ATOM 156 NZ LYS A 12 8.648 -8.277 -8.211 1.00 22.01 N ATOM 0 H LYS A 12 9.651 -3.266 -3.552 1.00 20.35 H new ATOM 0 HA LYS A 12 8.069 -5.466 -3.504 1.00 52.44 H new ATOM 0 HB2 LYS A 12 9.914 -4.578 -5.177 1.00 21.32 H new ATOM 0 HB3 LYS A 12 10.959 -5.709 -4.340 1.00 21.32 H new ATOM 0 HG2 LYS A 12 9.913 -7.554 -5.214 1.00 30.51 H new ATOM 0 HG3 LYS A 12 8.332 -6.797 -5.226 1.00 30.51 H new ATOM 0 HD2 LYS A 12 8.619 -5.891 -7.318 1.00 12.52 H new ATOM 0 HD3 LYS A 12 10.328 -5.588 -7.076 1.00 12.52 H new ATOM 0 HE2 LYS A 12 10.501 -7.318 -8.581 1.00 30.31 H new ATOM 0 HE3 LYS A 12 10.456 -8.263 -7.106 1.00 30.31 H new ATOM 0 HZ1 LYS A 12 8.700 -9.286 -7.963 1.00 22.01 H new ATOM 0 HZ2 LYS A 12 7.811 -7.853 -7.763 1.00 22.01 H new ATOM 0 HZ3 LYS A 12 8.576 -8.177 -9.244 1.00 22.01 H new ATOM 166 N GLY A 13 8.657 -7.006 -1.665 1.00 0.02 N ATOM 167 CA GLY A 13 8.998 -7.968 -0.634 1.00 24.41 C ATOM 168 C GLY A 13 8.805 -7.413 0.763 1.00 53.20 C ATOM 169 O GLY A 13 9.231 -8.022 1.744 1.00 42.43 O ATOM 0 H GLY A 13 7.665 -6.964 -1.901 1.00 0.02 H new ATOM 0 HA2 GLY A 13 8.383 -8.860 -0.756 1.00 24.41 H new ATOM 0 HA3 GLY A 13 10.036 -8.277 -0.759 1.00 24.41 H new ATOM 173 N ASP A 14 8.164 -6.253 0.854 1.00 70.03 N ATOM 174 CA ASP A 14 7.917 -5.615 2.142 1.00 2.53 C ATOM 175 C ASP A 14 6.460 -5.786 2.563 1.00 13.10 C ATOM 176 O ASP A 14 5.560 -5.807 1.723 1.00 72.24 O ATOM 177 CB ASP A 14 8.270 -4.128 2.074 1.00 32.11 C ATOM 178 CG ASP A 14 8.822 -3.604 3.385 1.00 1.14 C ATOM 179 OD1 ASP A 14 8.466 -4.162 4.444 1.00 4.00 O ATOM 180 OD2 ASP A 14 9.609 -2.635 3.352 1.00 50.40 O ATOM 0 H ASP A 14 7.806 -5.735 0.051 1.00 70.03 H new ATOM 0 HA ASP A 14 8.550 -6.098 2.886 1.00 2.53 H new ATOM 0 HB2 ASP A 14 9.004 -3.967 1.284 1.00 32.11 H new ATOM 0 HB3 ASP A 14 7.381 -3.558 1.804 1.00 32.11 H new ATOM 184 N ILE A 15 6.238 -5.909 3.867 1.00 0.50 N ATOM 185 CA ILE A 15 4.891 -6.078 4.398 1.00 52.22 C ATOM 186 C ILE A 15 4.344 -4.761 4.940 1.00 21.40 C ATOM 187 O ILE A 15 5.075 -3.973 5.542 1.00 31.00 O ATOM 188 CB ILE A 15 4.857 -7.133 5.519 1.00 73.33 C ATOM 189 CG1 ILE A 15 5.500 -8.437 5.041 1.00 24.24 C ATOM 190 CG2 ILE A 15 3.425 -7.378 5.973 1.00 73.03 C ATOM 191 CD1 ILE A 15 5.969 -9.329 6.169 1.00 12.14 C ATOM 0 H ILE A 15 6.972 -5.895 4.575 1.00 0.50 H new ATOM 0 HA ILE A 15 4.266 -6.416 3.571 1.00 52.22 H new ATOM 0 HB ILE A 15 5.428 -6.758 6.368 1.00 73.33 H new ATOM 0 HG12 ILE A 15 4.782 -8.984 4.431 1.00 24.24 H new ATOM 0 HG13 ILE A 15 6.349 -8.200 4.399 1.00 24.24 H new ATOM 0 HG21 ILE A 15 3.418 -8.126 6.766 1.00 73.03 H new ATOM 0 HG22 ILE A 15 2.998 -6.448 6.348 1.00 73.03 H new ATOM 0 HG23 ILE A 15 2.832 -7.736 5.131 1.00 73.03 H new ATOM 0 HD11 ILE A 15 6.414 -10.234 5.756 1.00 12.14 H new ATOM 0 HD12 ILE A 15 6.711 -8.800 6.767 1.00 12.14 H new ATOM 0 HD13 ILE A 15 5.120 -9.596 6.798 1.00 12.14 H new ATOM 202 N LEU A 16 3.054 -4.529 4.723 1.00 31.14 N ATOM 203 CA LEU A 16 2.407 -3.308 5.189 1.00 54.25 C ATOM 204 C LEU A 16 0.981 -3.590 5.650 1.00 1.22 C ATOM 205 O LEU A 16 0.187 -4.185 4.921 1.00 21.51 O ATOM 206 CB LEU A 16 2.399 -2.255 4.080 1.00 50.20 C ATOM 207 CG LEU A 16 3.546 -2.333 3.072 1.00 31.02 C ATOM 208 CD1 LEU A 16 3.096 -3.046 1.807 1.00 71.11 C ATOM 209 CD2 LEU A 16 4.065 -0.940 2.746 1.00 10.11 C ATOM 0 H LEU A 16 2.435 -5.171 4.227 1.00 31.14 H new ATOM 0 HA LEU A 16 2.975 -2.927 6.038 1.00 54.25 H new ATOM 0 HB2 LEU A 16 1.458 -2.336 3.536 1.00 50.20 H new ATOM 0 HB3 LEU A 16 2.415 -1.268 4.543 1.00 50.20 H new ATOM 0 HG LEU A 16 4.359 -2.906 3.518 1.00 31.02 H new ATOM 0 HD11 LEU A 16 3.925 -3.092 1.101 1.00 71.11 H new ATOM 0 HD12 LEU A 16 2.773 -4.057 2.055 1.00 71.11 H new ATOM 0 HD13 LEU A 16 2.266 -2.500 1.357 1.00 71.11 H new ATOM 0 HD21 LEU A 16 4.881 -1.015 2.027 1.00 10.11 H new ATOM 0 HD22 LEU A 16 3.259 -0.342 2.320 1.00 10.11 H new ATOM 0 HD23 LEU A 16 4.427 -0.464 3.657 1.00 10.11 H new ATOM 220 N THR A 17 0.659 -3.154 6.865 1.00 34.43 N ATOM 221 CA THR A 17 -0.672 -3.358 7.422 1.00 73.33 C ATOM 222 C THR A 17 -1.751 -3.115 6.374 1.00 12.44 C ATOM 223 O THR A 17 -1.812 -2.044 5.767 1.00 74.25 O ATOM 224 CB THR A 17 -0.924 -2.433 8.628 1.00 12.15 C ATOM 225 OG1 THR A 17 -0.013 -2.747 9.686 1.00 41.43 O ATOM 226 CG2 THR A 17 -2.354 -2.570 9.125 1.00 64.41 C ATOM 0 H THR A 17 1.302 -2.657 7.481 1.00 34.43 H new ATOM 0 HA THR A 17 -0.720 -4.395 7.753 1.00 73.33 H new ATOM 0 HB THR A 17 -0.765 -1.403 8.307 1.00 12.15 H new ATOM 0 HG1 THR A 17 -0.179 -2.153 10.448 1.00 41.43 H new ATOM 0 HG21 THR A 17 -2.508 -1.907 9.977 1.00 64.41 H new ATOM 0 HG22 THR A 17 -3.044 -2.300 8.326 1.00 64.41 H new ATOM 0 HG23 THR A 17 -2.536 -3.601 9.429 1.00 64.41 H new ATOM 234 N LEU A 18 -2.601 -4.113 6.164 1.00 21.23 N ATOM 235 CA LEU A 18 -3.680 -4.006 5.187 1.00 64.43 C ATOM 236 C LEU A 18 -4.713 -2.975 5.627 1.00 42.53 C ATOM 237 O LEU A 18 -5.829 -3.324 6.016 1.00 10.32 O ATOM 238 CB LEU A 18 -4.352 -5.366 4.990 1.00 5.10 C ATOM 239 CG LEU A 18 -5.256 -5.497 3.764 1.00 33.24 C ATOM 240 CD1 LEU A 18 -6.701 -5.196 4.131 1.00 32.10 C ATOM 241 CD2 LEU A 18 -4.783 -4.572 2.652 1.00 13.44 C ATOM 0 H LEU A 18 -2.565 -5.006 6.656 1.00 21.23 H new ATOM 0 HA LEU A 18 -3.249 -3.680 4.241 1.00 64.43 H new ATOM 0 HB2 LEU A 18 -3.574 -6.127 4.926 1.00 5.10 H new ATOM 0 HB3 LEU A 18 -4.944 -5.589 5.878 1.00 5.10 H new ATOM 0 HG LEU A 18 -5.201 -6.524 3.404 1.00 33.24 H new ATOM 0 HD11 LEU A 18 -7.329 -5.294 3.246 1.00 32.10 H new ATOM 0 HD12 LEU A 18 -7.037 -5.898 4.894 1.00 32.10 H new ATOM 0 HD13 LEU A 18 -6.774 -4.179 4.517 1.00 32.10 H new ATOM 0 HD21 LEU A 18 -5.438 -4.678 1.787 1.00 13.44 H new ATOM 0 HD22 LEU A 18 -4.808 -3.540 3.002 1.00 13.44 H new ATOM 0 HD23 LEU A 18 -3.763 -4.834 2.370 1.00 13.44 H new ATOM 252 N LEU A 19 -4.336 -1.703 5.563 1.00 1.42 N ATOM 253 CA LEU A 19 -5.231 -0.618 5.953 1.00 43.04 C ATOM 254 C LEU A 19 -6.520 -0.657 5.140 1.00 21.24 C ATOM 255 O LEU A 19 -6.725 -1.555 4.323 1.00 51.44 O ATOM 256 CB LEU A 19 -4.538 0.733 5.768 1.00 73.13 C ATOM 257 CG LEU A 19 -3.853 1.311 7.006 1.00 53.45 C ATOM 258 CD1 LEU A 19 -2.961 0.266 7.660 1.00 1.45 C ATOM 259 CD2 LEU A 19 -3.048 2.549 6.641 1.00 53.34 C ATOM 0 H LEU A 19 -3.417 -1.397 5.245 1.00 1.42 H new ATOM 0 HA LEU A 19 -5.483 -0.749 7.005 1.00 43.04 H new ATOM 0 HB2 LEU A 19 -3.793 0.631 4.979 1.00 73.13 H new ATOM 0 HB3 LEU A 19 -5.277 1.453 5.417 1.00 73.13 H new ATOM 0 HG LEU A 19 -4.623 1.601 7.721 1.00 53.45 H new ATOM 0 HD11 LEU A 19 -2.482 0.696 8.540 1.00 1.45 H new ATOM 0 HD12 LEU A 19 -3.564 -0.592 7.958 1.00 1.45 H new ATOM 0 HD13 LEU A 19 -2.198 -0.055 6.952 1.00 1.45 H new ATOM 0 HD21 LEU A 19 -2.567 2.947 7.535 1.00 53.34 H new ATOM 0 HD22 LEU A 19 -2.287 2.285 5.907 1.00 53.34 H new ATOM 0 HD23 LEU A 19 -3.712 3.304 6.220 1.00 53.34 H new ATOM 270 N ASN A 20 -7.387 0.324 5.367 1.00 42.10 N ATOM 271 CA ASN A 20 -8.657 0.403 4.654 1.00 52.25 C ATOM 272 C ASN A 20 -8.467 0.100 3.171 1.00 5.05 C ATOM 273 O ASN A 20 -7.948 0.926 2.420 1.00 52.03 O ATOM 274 CB ASN A 20 -9.278 1.790 4.828 1.00 43.41 C ATOM 275 CG ASN A 20 -10.643 1.735 5.486 1.00 45.22 C ATOM 276 OD1 ASN A 20 -11.688 1.640 4.672 1.00 32.44 O flip ATOM 277 ND2 ASN A 20 -10.757 1.776 6.712 1.00 65.55 N flip ATOM 0 H ASN A 20 -7.234 1.076 6.039 1.00 42.10 H new ATOM 0 HA ASN A 20 -9.330 -0.344 5.076 1.00 52.25 H new ATOM 0 HB2 ASN A 20 -8.613 2.410 5.429 1.00 43.41 H new ATOM 0 HB3 ASN A 20 -9.367 2.270 3.853 1.00 43.41 H new ATOM 0 HD21 ASN A 20 -9.926 1.849 7.299 1.00 65.55 H new ATOM 0 HD22 ASN A 20 -11.682 1.737 7.140 1.00 65.55 H new ATOM 283 N SER A 21 -8.894 -1.087 2.756 1.00 64.54 N ATOM 284 CA SER A 21 -8.769 -1.501 1.363 1.00 1.30 C ATOM 285 C SER A 21 -10.075 -1.273 0.609 1.00 64.24 C ATOM 286 O SER A 21 -10.322 -1.884 -0.431 1.00 33.21 O ATOM 287 CB SER A 21 -8.370 -2.976 1.280 1.00 45.23 C ATOM 288 OG SER A 21 -9.160 -3.767 2.150 1.00 45.13 O ATOM 0 H SER A 21 -9.330 -1.780 3.364 1.00 64.54 H new ATOM 0 HA SER A 21 -7.991 -0.895 0.899 1.00 1.30 H new ATOM 0 HB2 SER A 21 -8.486 -3.330 0.256 1.00 45.23 H new ATOM 0 HB3 SER A 21 -7.317 -3.086 1.539 1.00 45.23 H new ATOM 0 HG SER A 21 -9.001 -4.716 1.964 1.00 45.13 H new ATOM 293 N THR A 22 -10.913 -0.388 1.143 1.00 34.41 N ATOM 294 CA THR A 22 -12.194 -0.079 0.522 1.00 64.42 C ATOM 295 C THR A 22 -12.025 0.254 -0.956 1.00 42.03 C ATOM 296 O THR A 22 -12.806 -0.192 -1.795 1.00 0.15 O ATOM 297 CB THR A 22 -12.889 1.102 1.226 1.00 51.20 C ATOM 298 OG1 THR A 22 -14.073 1.472 0.511 1.00 35.44 O ATOM 299 CG2 THR A 22 -11.955 2.299 1.323 1.00 61.54 C ATOM 0 H THR A 22 -10.726 0.126 2.004 1.00 34.41 H new ATOM 0 HA THR A 22 -12.815 -0.969 0.621 1.00 64.42 H new ATOM 0 HB THR A 22 -13.158 0.787 2.234 1.00 51.20 H new ATOM 0 HG1 THR A 22 -14.509 2.222 0.966 1.00 35.44 H new ATOM 0 HG21 THR A 22 -12.467 3.121 1.824 1.00 61.54 H new ATOM 0 HG22 THR A 22 -11.068 2.023 1.893 1.00 61.54 H new ATOM 0 HG23 THR A 22 -11.660 2.612 0.322 1.00 61.54 H new ATOM 307 N ASN A 23 -10.999 1.039 -1.267 1.00 41.45 N ATOM 308 CA ASN A 23 -10.727 1.431 -2.644 1.00 3.43 C ATOM 309 C ASN A 23 -10.275 0.233 -3.472 1.00 32.42 C ATOM 310 O ASN A 23 -9.168 -0.277 -3.297 1.00 0.50 O ATOM 311 CB ASN A 23 -9.656 2.524 -2.683 1.00 5.15 C ATOM 312 CG ASN A 23 -10.245 3.901 -2.929 1.00 52.12 C ATOM 313 OD1 ASN A 23 -10.192 4.353 -4.176 1.00 70.01 O flip ATOM 314 ND2 ASN A 23 -10.740 4.549 -2.007 1.00 50.25 N flip ATOM 0 H ASN A 23 -10.342 1.416 -0.584 1.00 41.45 H new ATOM 0 HA ASN A 23 -11.650 1.820 -3.073 1.00 3.43 H new ATOM 0 HB2 ASN A 23 -9.110 2.528 -1.739 1.00 5.15 H new ATOM 0 HB3 ASN A 23 -8.935 2.295 -3.467 1.00 5.15 H new ATOM 0 HD21 ASN A 23 -10.759 4.161 -1.064 1.00 50.25 H new ATOM 0 HD22 ASN A 23 -11.131 5.474 -2.186 1.00 50.25 H new ATOM 320 N LYS A 24 -11.140 -0.215 -4.376 1.00 13.13 N ATOM 321 CA LYS A 24 -10.831 -1.353 -5.234 1.00 4.55 C ATOM 322 C LYS A 24 -9.649 -1.042 -6.146 1.00 62.13 C ATOM 323 O LYS A 24 -8.900 -1.938 -6.534 1.00 74.15 O ATOM 324 CB LYS A 24 -12.053 -1.729 -6.076 1.00 3.01 C ATOM 325 CG LYS A 24 -12.193 -0.909 -7.347 1.00 52.02 C ATOM 326 CD LYS A 24 -13.380 -1.365 -8.178 1.00 62.44 C ATOM 327 CE LYS A 24 -12.932 -2.091 -9.437 1.00 2.04 C ATOM 328 NZ LYS A 24 -14.075 -2.741 -10.137 1.00 73.20 N ATOM 0 H LYS A 24 -12.061 0.193 -4.533 1.00 13.13 H new ATOM 0 HA LYS A 24 -10.563 -2.195 -4.596 1.00 4.55 H new ATOM 0 HB2 LYS A 24 -11.991 -2.785 -6.340 1.00 3.01 H new ATOM 0 HB3 LYS A 24 -12.952 -1.604 -5.472 1.00 3.01 H new ATOM 0 HG2 LYS A 24 -12.311 0.144 -7.090 1.00 52.02 H new ATOM 0 HG3 LYS A 24 -11.281 -0.993 -7.938 1.00 52.02 H new ATOM 0 HD2 LYS A 24 -14.011 -2.024 -7.582 1.00 62.44 H new ATOM 0 HD3 LYS A 24 -13.988 -0.502 -8.451 1.00 62.44 H new ATOM 0 HE2 LYS A 24 -12.447 -1.385 -10.111 1.00 2.04 H new ATOM 0 HE3 LYS A 24 -12.189 -2.845 -9.177 1.00 2.04 H new ATOM 0 HZ1 LYS A 24 -13.730 -3.225 -10.990 1.00 73.20 H new ATOM 0 HZ2 LYS A 24 -14.522 -3.433 -9.503 1.00 73.20 H new ATOM 0 HZ3 LYS A 24 -14.772 -2.019 -10.408 1.00 73.20 H new ATOM 338 N ASP A 25 -9.486 0.233 -6.483 1.00 65.22 N ATOM 339 CA ASP A 25 -8.393 0.662 -7.347 1.00 4.41 C ATOM 340 C ASP A 25 -7.185 1.092 -6.521 1.00 14.33 C ATOM 341 O ASP A 25 -6.128 1.409 -7.068 1.00 32.32 O ATOM 342 CB ASP A 25 -8.848 1.812 -8.247 1.00 53.41 C ATOM 343 CG ASP A 25 -10.104 1.476 -9.028 1.00 40.33 C ATOM 344 OD1 ASP A 25 -11.194 1.461 -8.418 1.00 2.44 O ATOM 345 OD2 ASP A 25 -9.996 1.229 -10.246 1.00 31.21 O ATOM 0 H ASP A 25 -10.097 0.987 -6.171 1.00 65.22 H new ATOM 0 HA ASP A 25 -8.101 -0.183 -7.971 1.00 4.41 H new ATOM 0 HB2 ASP A 25 -9.029 2.697 -7.637 1.00 53.41 H new ATOM 0 HB3 ASP A 25 -8.048 2.063 -8.943 1.00 53.41 H new ATOM 349 N TRP A 26 -7.350 1.104 -5.204 1.00 75.10 N ATOM 350 CA TRP A 26 -6.273 1.496 -4.303 1.00 14.40 C ATOM 351 C TRP A 26 -6.477 0.899 -2.915 1.00 23.03 C ATOM 352 O TRP A 26 -7.507 1.124 -2.279 1.00 23.32 O ATOM 353 CB TRP A 26 -6.189 3.021 -4.208 1.00 72.21 C ATOM 354 CG TRP A 26 -5.748 3.672 -5.483 1.00 11.43 C ATOM 355 CD1 TRP A 26 -6.505 3.886 -6.600 1.00 60.44 C ATOM 356 CD2 TRP A 26 -4.446 4.192 -5.774 1.00 1.54 C ATOM 357 NE1 TRP A 26 -5.753 4.507 -7.567 1.00 55.40 N ATOM 358 CE2 TRP A 26 -4.486 4.708 -7.084 1.00 33.22 C ATOM 359 CE3 TRP A 26 -3.251 4.276 -5.054 1.00 32.54 C ATOM 360 CZ2 TRP A 26 -3.377 5.295 -7.687 1.00 32.33 C ATOM 361 CZ3 TRP A 26 -2.151 4.858 -5.655 1.00 43.44 C ATOM 362 CH2 TRP A 26 -2.220 5.363 -6.960 1.00 70.40 C ATOM 0 H TRP A 26 -8.219 0.847 -4.736 1.00 75.10 H new ATOM 0 HA TRP A 26 -5.337 1.111 -4.709 1.00 14.40 H new ATOM 0 HB2 TRP A 26 -7.166 3.415 -3.926 1.00 72.21 H new ATOM 0 HB3 TRP A 26 -5.495 3.291 -3.412 1.00 72.21 H new ATOM 0 HD1 TRP A 26 -7.543 3.608 -6.707 1.00 60.44 H new ATOM 0 HE1 TRP A 26 -6.084 4.775 -8.494 1.00 55.40 H new ATOM 0 HE3 TRP A 26 -3.188 3.893 -4.046 1.00 32.54 H new ATOM 0 HZ2 TRP A 26 -3.428 5.683 -8.694 1.00 32.33 H new ATOM 0 HZ3 TRP A 26 -1.222 4.925 -5.109 1.00 43.44 H new ATOM 0 HH2 TRP A 26 -1.343 5.814 -7.400 1.00 70.40 H new ATOM 372 N TRP A 27 -5.493 0.138 -2.452 1.00 51.01 N ATOM 373 CA TRP A 27 -5.567 -0.492 -1.138 1.00 11.14 C ATOM 374 C TRP A 27 -4.696 0.248 -0.129 1.00 14.35 C ATOM 375 O TRP A 27 -3.468 0.176 -0.184 1.00 73.20 O ATOM 376 CB TRP A 27 -5.135 -1.957 -1.227 1.00 13.54 C ATOM 377 CG TRP A 27 -6.280 -2.903 -1.426 1.00 44.11 C ATOM 378 CD1 TRP A 27 -7.533 -2.591 -1.872 1.00 61.13 C ATOM 379 CD2 TRP A 27 -6.278 -4.314 -1.182 1.00 12.15 C ATOM 380 NE1 TRP A 27 -8.309 -3.724 -1.921 1.00 20.14 N ATOM 381 CE2 TRP A 27 -7.562 -4.794 -1.504 1.00 24.21 C ATOM 382 CE3 TRP A 27 -5.316 -5.218 -0.727 1.00 75.03 C ATOM 383 CZ2 TRP A 27 -7.907 -6.138 -1.383 1.00 55.40 C ATOM 384 CZ3 TRP A 27 -5.659 -6.552 -0.606 1.00 13.35 C ATOM 385 CH2 TRP A 27 -6.945 -7.001 -0.933 1.00 14.14 C ATOM 0 H TRP A 27 -4.634 -0.058 -2.966 1.00 51.01 H new ATOM 0 HA TRP A 27 -6.602 -0.446 -0.798 1.00 11.14 H new ATOM 0 HB2 TRP A 27 -4.431 -2.071 -2.051 1.00 13.54 H new ATOM 0 HB3 TRP A 27 -4.604 -2.228 -0.315 1.00 13.54 H new ATOM 0 HD1 TRP A 27 -7.865 -1.600 -2.146 1.00 61.13 H new ATOM 0 HE1 TRP A 27 -9.284 -3.762 -2.220 1.00 20.14 H new ATOM 0 HE3 TRP A 27 -4.322 -4.881 -0.474 1.00 75.03 H new ATOM 0 HZ2 TRP A 27 -8.898 -6.486 -1.635 1.00 55.40 H new ATOM 0 HZ3 TRP A 27 -4.923 -7.260 -0.254 1.00 13.35 H new ATOM 0 HH2 TRP A 27 -7.182 -8.049 -0.828 1.00 14.14 H new ATOM 395 N LYS A 28 -5.337 0.960 0.790 1.00 62.33 N ATOM 396 CA LYS A 28 -4.621 1.713 1.813 1.00 33.41 C ATOM 397 C LYS A 28 -3.725 0.794 2.638 1.00 63.30 C ATOM 398 O LYS A 28 -4.144 -0.286 3.055 1.00 43.04 O ATOM 399 CB LYS A 28 -5.610 2.437 2.730 1.00 35.35 C ATOM 400 CG LYS A 28 -5.022 3.658 3.415 1.00 14.22 C ATOM 401 CD LYS A 28 -5.856 4.081 4.613 1.00 1.24 C ATOM 402 CE LYS A 28 -5.720 5.571 4.888 1.00 30.43 C ATOM 403 NZ LYS A 28 -7.043 6.214 5.118 1.00 2.45 N ATOM 0 H LYS A 28 -6.353 1.032 0.848 1.00 62.33 H new ATOM 0 HA LYS A 28 -3.993 2.450 1.313 1.00 33.41 H new ATOM 0 HB2 LYS A 28 -6.478 2.741 2.146 1.00 35.35 H new ATOM 0 HB3 LYS A 28 -5.965 1.740 3.489 1.00 35.35 H new ATOM 0 HG2 LYS A 28 -4.004 3.440 3.738 1.00 14.22 H new ATOM 0 HG3 LYS A 28 -4.961 4.482 2.704 1.00 14.22 H new ATOM 0 HD2 LYS A 28 -6.903 3.837 4.433 1.00 1.24 H new ATOM 0 HD3 LYS A 28 -5.544 3.518 5.492 1.00 1.24 H new ATOM 0 HE2 LYS A 28 -5.085 5.723 5.761 1.00 30.43 H new ATOM 0 HE3 LYS A 28 -5.224 6.052 4.045 1.00 30.43 H new ATOM 0 HZ1 LYS A 28 -6.909 7.229 5.302 1.00 2.45 H new ATOM 0 HZ2 LYS A 28 -7.640 6.091 4.275 1.00 2.45 H new ATOM 0 HZ3 LYS A 28 -7.506 5.772 5.938 1.00 2.45 H new ATOM 413 N VAL A 29 -2.491 1.229 2.871 1.00 4.41 N ATOM 414 CA VAL A 29 -1.538 0.447 3.649 1.00 41.42 C ATOM 415 C VAL A 29 -0.631 1.351 4.476 1.00 32.42 C ATOM 416 O VAL A 29 -0.179 2.392 4.002 1.00 45.54 O ATOM 417 CB VAL A 29 -0.669 -0.442 2.740 1.00 70.22 C ATOM 418 CG1 VAL A 29 -1.543 -1.327 1.863 1.00 40.45 C ATOM 419 CG2 VAL A 29 0.261 0.412 1.891 1.00 71.32 C ATOM 0 H VAL A 29 -2.128 2.120 2.532 1.00 4.41 H new ATOM 0 HA VAL A 29 -2.119 -0.188 4.318 1.00 41.42 H new ATOM 0 HB VAL A 29 -0.058 -1.088 3.371 1.00 70.22 H new ATOM 0 HG11 VAL A 29 -0.911 -1.948 1.228 1.00 40.45 H new ATOM 0 HG12 VAL A 29 -2.162 -1.965 2.493 1.00 40.45 H new ATOM 0 HG13 VAL A 29 -2.183 -0.703 1.239 1.00 40.45 H new ATOM 0 HG21 VAL A 29 0.868 -0.233 1.255 1.00 71.32 H new ATOM 0 HG22 VAL A 29 -0.329 1.084 1.268 1.00 71.32 H new ATOM 0 HG23 VAL A 29 0.912 0.997 2.541 1.00 71.32 H new ATOM 429 N GLU A 30 -0.368 0.943 5.713 1.00 62.04 N ATOM 430 CA GLU A 30 0.486 1.717 6.607 1.00 50.14 C ATOM 431 C GLU A 30 1.891 1.124 6.666 1.00 72.20 C ATOM 432 O GLU A 30 2.098 -0.043 6.333 1.00 75.14 O ATOM 433 CB GLU A 30 -0.118 1.765 8.012 1.00 72.40 C ATOM 434 CG GLU A 30 0.763 2.467 9.030 1.00 55.51 C ATOM 435 CD GLU A 30 0.187 2.421 10.432 1.00 0.42 C ATOM 436 OE1 GLU A 30 -0.984 2.819 10.605 1.00 54.31 O ATOM 437 OE2 GLU A 30 0.907 1.987 11.356 1.00 24.13 O ATOM 0 H GLU A 30 -0.733 0.082 6.119 1.00 62.04 H new ATOM 0 HA GLU A 30 0.554 2.731 6.214 1.00 50.14 H new ATOM 0 HB2 GLU A 30 -1.082 2.273 7.967 1.00 72.40 H new ATOM 0 HB3 GLU A 30 -0.310 0.747 8.351 1.00 72.40 H new ATOM 0 HG2 GLU A 30 1.750 2.004 9.031 1.00 55.51 H new ATOM 0 HG3 GLU A 30 0.899 3.506 8.731 1.00 55.51 H new ATOM 442 N VAL A 31 2.853 1.936 7.091 1.00 44.13 N ATOM 443 CA VAL A 31 4.238 1.493 7.194 1.00 41.42 C ATOM 444 C VAL A 31 4.879 1.989 8.485 1.00 41.33 C ATOM 445 O VAL A 31 5.767 2.841 8.463 1.00 25.21 O ATOM 446 CB VAL A 31 5.075 1.985 5.998 1.00 31.33 C ATOM 447 CG1 VAL A 31 6.548 1.672 6.213 1.00 1.54 C ATOM 448 CG2 VAL A 31 4.572 1.359 4.705 1.00 12.31 C ATOM 0 H VAL A 31 2.699 2.905 7.370 1.00 44.13 H new ATOM 0 HA VAL A 31 4.222 0.403 7.194 1.00 41.42 H new ATOM 0 HB VAL A 31 4.966 3.067 5.919 1.00 31.33 H new ATOM 0 HG11 VAL A 31 7.124 2.027 5.358 1.00 1.54 H new ATOM 0 HG12 VAL A 31 6.897 2.170 7.118 1.00 1.54 H new ATOM 0 HG13 VAL A 31 6.680 0.595 6.317 1.00 1.54 H new ATOM 0 HG21 VAL A 31 5.174 1.717 3.869 1.00 12.31 H new ATOM 0 HG22 VAL A 31 4.651 0.274 4.771 1.00 12.31 H new ATOM 0 HG23 VAL A 31 3.530 1.638 4.547 1.00 12.31 H new ATOM 458 N ASN A 32 4.423 1.450 9.611 1.00 71.40 N ATOM 459 CA ASN A 32 4.951 1.837 10.914 1.00 72.43 C ATOM 460 C ASN A 32 4.485 3.239 11.296 1.00 31.52 C ATOM 461 O ASN A 32 3.683 3.408 12.214 1.00 52.14 O ATOM 462 CB ASN A 32 6.480 1.781 10.905 1.00 14.44 C ATOM 463 CG ASN A 32 7.009 0.518 10.253 1.00 73.24 C ATOM 464 OD1 ASN A 32 7.331 0.605 8.968 1.00 32.31 O flip ATOM 465 ND2 ASN A 32 7.125 -0.524 10.899 1.00 73.00 N flip ATOM 0 H ASN A 32 3.688 0.743 9.647 1.00 71.40 H new ATOM 0 HA ASN A 32 4.572 1.133 11.655 1.00 72.43 H new ATOM 0 HB2 ASN A 32 6.869 2.650 10.375 1.00 14.44 H new ATOM 0 HB3 ASN A 32 6.849 1.840 11.929 1.00 14.44 H new ATOM 0 HD21 ASN A 32 6.865 -0.544 11.885 1.00 73.00 H new ATOM 0 HD22 ASN A 32 7.481 -1.367 10.448 1.00 73.00 H new ATOM 471 N ASP A 33 4.990 4.239 10.583 1.00 32.31 N ATOM 472 CA ASP A 33 4.624 5.626 10.845 1.00 72.50 C ATOM 473 C ASP A 33 4.123 6.306 9.574 1.00 74.52 C ATOM 474 O ASP A 33 3.413 7.308 9.633 1.00 2.41 O ATOM 475 CB ASP A 33 5.821 6.393 11.409 1.00 43.45 C ATOM 476 CG ASP A 33 5.583 6.872 12.828 1.00 53.32 C ATOM 477 OD1 ASP A 33 5.296 6.025 13.701 1.00 63.11 O ATOM 478 OD2 ASP A 33 5.685 8.093 13.067 1.00 11.32 O ATOM 0 H ASP A 33 5.654 4.115 9.819 1.00 32.31 H new ATOM 0 HA ASP A 33 3.819 5.631 11.580 1.00 72.50 H new ATOM 0 HB2 ASP A 33 6.703 5.752 11.388 1.00 43.45 H new ATOM 0 HB3 ASP A 33 6.034 7.250 10.770 1.00 43.45 H new ATOM 482 N ARG A 34 4.498 5.751 8.426 1.00 30.23 N ATOM 483 CA ARG A 34 4.089 6.305 7.141 1.00 21.22 C ATOM 484 C ARG A 34 2.983 5.462 6.513 1.00 74.42 C ATOM 485 O ARG A 34 3.136 4.253 6.335 1.00 52.24 O ATOM 486 CB ARG A 34 5.285 6.384 6.191 1.00 52.20 C ATOM 487 CG ARG A 34 6.548 5.748 6.749 1.00 15.15 C ATOM 488 CD ARG A 34 7.666 5.733 5.717 1.00 32.52 C ATOM 489 NE ARG A 34 8.935 5.292 6.291 1.00 71.45 N ATOM 490 CZ ARG A 34 9.976 4.904 5.562 1.00 43.42 C ATOM 491 NH1 ARG A 34 9.900 4.903 4.239 1.00 12.14 N ATOM 492 NH2 ARG A 34 11.097 4.517 6.159 1.00 21.04 N ATOM 0 H ARG A 34 5.084 4.919 8.360 1.00 30.23 H new ATOM 0 HA ARG A 34 3.704 7.310 7.314 1.00 21.22 H new ATOM 0 HB2 ARG A 34 5.026 5.894 5.252 1.00 52.20 H new ATOM 0 HB3 ARG A 34 5.486 7.430 5.960 1.00 52.20 H new ATOM 0 HG2 ARG A 34 6.874 6.297 7.632 1.00 15.15 H new ATOM 0 HG3 ARG A 34 6.333 4.729 7.069 1.00 15.15 H new ATOM 0 HD2 ARG A 34 7.391 5.073 4.894 1.00 32.52 H new ATOM 0 HD3 ARG A 34 7.786 6.732 5.297 1.00 32.52 H new ATOM 0 HE ARG A 34 9.027 5.281 7.307 1.00 71.45 H new ATOM 0 HH11 ARG A 34 9.041 5.201 3.777 1.00 12.14 H new ATOM 0 HH12 ARG A 34 10.701 4.605 3.682 1.00 12.14 H new ATOM 0 HH21 ARG A 34 11.159 4.518 7.177 1.00 21.04 H new ATOM 0 HH22 ARG A 34 11.896 4.219 5.600 1.00 21.04 H new ATOM 503 N GLN A 35 1.870 6.107 6.180 1.00 22.23 N ATOM 504 CA GLN A 35 0.738 5.416 5.574 1.00 10.42 C ATOM 505 C GLN A 35 0.263 6.144 4.321 1.00 5.12 C ATOM 506 O GLN A 35 0.916 7.072 3.845 1.00 24.24 O ATOM 507 CB GLN A 35 -0.411 5.298 6.576 1.00 75.14 C ATOM 508 CG GLN A 35 -0.108 5.929 7.925 1.00 41.02 C ATOM 509 CD GLN A 35 -1.250 5.775 8.911 1.00 5.01 C ATOM 510 OE1 GLN A 35 -0.931 5.343 10.125 1.00 15.00 O flip ATOM 511 NE2 GLN A 35 -2.408 6.043 8.585 1.00 20.52 N flip ATOM 0 H GLN A 35 1.728 7.107 6.320 1.00 22.23 H new ATOM 0 HA GLN A 35 1.066 4.416 5.289 1.00 10.42 H new ATOM 0 HB2 GLN A 35 -1.299 5.769 6.155 1.00 75.14 H new ATOM 0 HB3 GLN A 35 -0.648 4.244 6.722 1.00 75.14 H new ATOM 0 HG2 GLN A 35 0.790 5.473 8.341 1.00 41.02 H new ATOM 0 HG3 GLN A 35 0.107 6.989 7.786 1.00 41.02 H new ATOM 0 HE21 GLN A 35 -2.609 6.372 7.641 1.00 20.52 H new ATOM 0 HE22 GLN A 35 -3.166 5.936 9.259 1.00 20.52 H new ATOM 518 N GLY A 36 -0.880 5.718 3.792 1.00 74.52 N ATOM 519 CA GLY A 36 -1.423 6.341 2.599 1.00 13.13 C ATOM 520 C GLY A 36 -2.080 5.339 1.669 1.00 51.13 C ATOM 521 O GLY A 36 -2.104 4.142 1.953 1.00 63.13 O ATOM 0 H GLY A 36 -1.440 4.953 4.168 1.00 74.52 H new ATOM 0 HA2 GLY A 36 -2.153 7.097 2.888 1.00 13.13 H new ATOM 0 HA3 GLY A 36 -0.624 6.857 2.066 1.00 13.13 H new ATOM 525 N PHE A 37 -2.615 5.830 0.556 1.00 43.12 N ATOM 526 CA PHE A 37 -3.278 4.969 -0.416 1.00 11.11 C ATOM 527 C PHE A 37 -2.288 4.467 -1.462 1.00 75.54 C ATOM 528 O PHE A 37 -1.426 5.213 -1.926 1.00 11.23 O ATOM 529 CB PHE A 37 -4.420 5.724 -1.101 1.00 70.12 C ATOM 530 CG PHE A 37 -5.606 5.953 -0.209 1.00 22.42 C ATOM 531 CD1 PHE A 37 -6.622 5.013 -0.129 1.00 11.43 C ATOM 532 CD2 PHE A 37 -5.707 7.108 0.550 1.00 71.35 C ATOM 533 CE1 PHE A 37 -7.715 5.222 0.690 1.00 31.43 C ATOM 534 CE2 PHE A 37 -6.797 7.321 1.372 1.00 4.04 C ATOM 535 CZ PHE A 37 -7.802 6.377 1.443 1.00 11.13 C ATOM 0 H PHE A 37 -2.602 6.819 0.305 1.00 43.12 H new ATOM 0 HA PHE A 37 -3.686 4.109 0.116 1.00 11.11 H new ATOM 0 HB2 PHE A 37 -4.049 6.686 -1.453 1.00 70.12 H new ATOM 0 HB3 PHE A 37 -4.739 5.164 -1.980 1.00 70.12 H new ATOM 0 HD1 PHE A 37 -6.558 4.107 -0.714 1.00 11.43 H new ATOM 0 HD2 PHE A 37 -4.924 7.851 0.498 1.00 71.35 H new ATOM 0 HE1 PHE A 37 -8.501 4.483 0.741 1.00 31.43 H new ATOM 0 HE2 PHE A 37 -6.863 8.225 1.959 1.00 4.04 H new ATOM 0 HZ PHE A 37 -8.654 6.541 2.086 1.00 11.13 H new ATOM 544 N VAL A 38 -2.416 3.195 -1.827 1.00 35.25 N ATOM 545 CA VAL A 38 -1.533 2.590 -2.818 1.00 4.31 C ATOM 546 C VAL A 38 -2.304 1.657 -3.745 1.00 42.35 C ATOM 547 O VAL A 38 -3.365 1.135 -3.399 1.00 10.50 O ATOM 548 CB VAL A 38 -0.392 1.804 -2.147 1.00 70.41 C ATOM 549 CG1 VAL A 38 0.703 2.748 -1.674 1.00 0.31 C ATOM 550 CG2 VAL A 38 -0.926 0.974 -0.990 1.00 71.52 C ATOM 0 H VAL A 38 -3.123 2.563 -1.451 1.00 35.25 H new ATOM 0 HA VAL A 38 -1.107 3.405 -3.402 1.00 4.31 H new ATOM 0 HB VAL A 38 0.039 1.126 -2.883 1.00 70.41 H new ATOM 0 HG11 VAL A 38 1.500 2.173 -1.203 1.00 0.31 H new ATOM 0 HG12 VAL A 38 1.105 3.295 -2.527 1.00 0.31 H new ATOM 0 HG13 VAL A 38 0.289 3.453 -0.953 1.00 0.31 H new ATOM 0 HG21 VAL A 38 -0.106 0.425 -0.527 1.00 71.52 H new ATOM 0 HG22 VAL A 38 -1.385 1.632 -0.252 1.00 71.52 H new ATOM 0 HG23 VAL A 38 -1.671 0.270 -1.361 1.00 71.52 H new ATOM 560 N PRO A 39 -1.759 1.438 -4.950 1.00 65.21 N ATOM 561 CA PRO A 39 -2.378 0.565 -5.951 1.00 24.32 C ATOM 562 C PRO A 39 -2.325 -0.906 -5.552 1.00 55.42 C ATOM 563 O PRO A 39 -1.246 -1.471 -5.377 1.00 73.54 O ATOM 564 CB PRO A 39 -1.536 0.809 -7.205 1.00 33.05 C ATOM 565 CG PRO A 39 -0.212 1.259 -6.691 1.00 72.31 C ATOM 566 CD PRO A 39 -0.498 2.026 -5.429 1.00 74.34 C ATOM 0 HA PRO A 39 -3.437 0.785 -6.083 1.00 24.32 H new ATOM 0 HB2 PRO A 39 -1.441 -0.099 -7.801 1.00 33.05 H new ATOM 0 HB3 PRO A 39 -1.990 1.565 -7.846 1.00 33.05 H new ATOM 0 HG2 PRO A 39 0.439 0.408 -6.492 1.00 72.31 H new ATOM 0 HG3 PRO A 39 0.298 1.886 -7.422 1.00 72.31 H new ATOM 0 HD2 PRO A 39 0.302 1.910 -4.698 1.00 74.34 H new ATOM 0 HD3 PRO A 39 -0.601 3.094 -5.622 1.00 74.34 H new ATOM 571 N ALA A 40 -3.495 -1.519 -5.408 1.00 12.21 N ATOM 572 CA ALA A 40 -3.580 -2.925 -5.031 1.00 54.12 C ATOM 573 C ALA A 40 -2.759 -3.797 -5.974 1.00 14.44 C ATOM 574 O ALA A 40 -2.290 -4.869 -5.594 1.00 54.35 O ATOM 575 CB ALA A 40 -5.031 -3.381 -5.015 1.00 12.33 C ATOM 0 H ALA A 40 -4.397 -1.064 -5.547 1.00 12.21 H new ATOM 0 HA ALA A 40 -3.167 -3.032 -4.028 1.00 54.12 H new ATOM 0 HB1 ALA A 40 -5.079 -4.433 -4.732 1.00 12.33 H new ATOM 0 HB2 ALA A 40 -5.592 -2.785 -4.295 1.00 12.33 H new ATOM 0 HB3 ALA A 40 -5.464 -3.252 -6.007 1.00 12.33 H new ATOM 581 N ALA A 41 -2.590 -3.330 -7.207 1.00 15.31 N ATOM 582 CA ALA A 41 -1.824 -4.067 -8.205 1.00 31.00 C ATOM 583 C ALA A 41 -0.368 -4.217 -7.779 1.00 60.42 C ATOM 584 O ALA A 41 0.347 -5.089 -8.274 1.00 53.13 O ATOM 585 CB ALA A 41 -1.912 -3.373 -9.556 1.00 34.23 C ATOM 0 H ALA A 41 -2.973 -2.445 -7.539 1.00 15.31 H new ATOM 0 HA ALA A 41 -2.254 -5.065 -8.293 1.00 31.00 H new ATOM 0 HB1 ALA A 41 -1.336 -3.934 -10.292 1.00 34.23 H new ATOM 0 HB2 ALA A 41 -2.954 -3.324 -9.872 1.00 34.23 H new ATOM 0 HB3 ALA A 41 -1.510 -2.363 -9.473 1.00 34.23 H new ATOM 591 N TYR A 42 0.066 -3.362 -6.860 1.00 25.40 N ATOM 592 CA TYR A 42 1.439 -3.398 -6.370 1.00 25.32 C ATOM 593 C TYR A 42 1.538 -4.217 -5.087 1.00 45.21 C ATOM 594 O TYR A 42 2.633 -4.519 -4.612 1.00 0.10 O ATOM 595 CB TYR A 42 1.951 -1.978 -6.123 1.00 73.41 C ATOM 596 CG TYR A 42 2.263 -1.217 -7.392 1.00 73.20 C ATOM 597 CD1 TYR A 42 1.360 -1.188 -8.447 1.00 32.12 C ATOM 598 CD2 TYR A 42 3.462 -0.529 -7.536 1.00 62.12 C ATOM 599 CE1 TYR A 42 1.642 -0.496 -9.609 1.00 51.21 C ATOM 600 CE2 TYR A 42 3.751 0.168 -8.693 1.00 60.22 C ATOM 601 CZ TYR A 42 2.838 0.181 -9.727 1.00 3.35 C ATOM 602 OH TYR A 42 3.122 0.873 -10.882 1.00 73.11 O ATOM 0 H TYR A 42 -0.513 -2.635 -6.439 1.00 25.40 H new ATOM 0 HA TYR A 42 2.058 -3.873 -7.131 1.00 25.32 H new ATOM 0 HB2 TYR A 42 1.204 -1.426 -5.553 1.00 73.41 H new ATOM 0 HB3 TYR A 42 2.850 -2.027 -5.508 1.00 73.41 H new ATOM 0 HD1 TYR A 42 0.422 -1.715 -8.357 1.00 32.12 H new ATOM 0 HD2 TYR A 42 4.180 -0.540 -6.729 1.00 62.12 H new ATOM 0 HE1 TYR A 42 0.930 -0.485 -10.421 1.00 51.21 H new ATOM 0 HE2 TYR A 42 4.686 0.700 -8.788 1.00 60.22 H new ATOM 0 HH TYR A 42 4.014 0.623 -11.202 1.00 73.11 H new ATOM 611 N VAL A 43 0.385 -4.574 -4.530 1.00 64.31 N ATOM 612 CA VAL A 43 0.339 -5.360 -3.302 1.00 54.20 C ATOM 613 C VAL A 43 -0.589 -6.560 -3.452 1.00 32.11 C ATOM 614 O VAL A 43 -1.218 -6.747 -4.494 1.00 42.53 O ATOM 615 CB VAL A 43 -0.130 -4.508 -2.108 1.00 14.41 C ATOM 616 CG1 VAL A 43 0.917 -3.464 -1.752 1.00 11.01 C ATOM 617 CG2 VAL A 43 -1.467 -3.851 -2.415 1.00 73.22 C ATOM 0 H VAL A 43 -0.530 -4.331 -4.910 1.00 64.31 H new ATOM 0 HA VAL A 43 1.353 -5.711 -3.112 1.00 54.20 H new ATOM 0 HB VAL A 43 -0.262 -5.163 -1.247 1.00 14.41 H new ATOM 0 HG11 VAL A 43 0.568 -2.872 -0.906 1.00 11.01 H new ATOM 0 HG12 VAL A 43 1.850 -3.961 -1.486 1.00 11.01 H new ATOM 0 HG13 VAL A 43 1.085 -2.810 -2.608 1.00 11.01 H new ATOM 0 HG21 VAL A 43 -1.783 -3.253 -1.560 1.00 73.22 H new ATOM 0 HG22 VAL A 43 -1.364 -3.209 -3.290 1.00 73.22 H new ATOM 0 HG23 VAL A 43 -2.213 -4.620 -2.615 1.00 73.22 H new ATOM 627 N LYS A 44 -0.669 -7.373 -2.404 1.00 64.31 N ATOM 628 CA LYS A 44 -1.522 -8.556 -2.417 1.00 52.41 C ATOM 629 C LYS A 44 -1.632 -9.162 -1.021 1.00 13.24 C ATOM 630 O LYS A 44 -0.655 -9.205 -0.272 1.00 34.52 O ATOM 631 CB LYS A 44 -0.971 -9.596 -3.394 1.00 73.41 C ATOM 632 CG LYS A 44 -1.658 -10.947 -3.296 1.00 33.23 C ATOM 633 CD LYS A 44 -0.655 -12.069 -3.086 1.00 73.44 C ATOM 634 CE LYS A 44 0.313 -12.177 -4.254 1.00 71.41 C ATOM 635 NZ LYS A 44 -0.131 -13.189 -5.252 1.00 1.22 N ATOM 0 H LYS A 44 -0.154 -7.234 -1.535 1.00 64.31 H new ATOM 0 HA LYS A 44 -2.517 -8.253 -2.742 1.00 52.41 H new ATOM 0 HB2 LYS A 44 -1.075 -9.218 -4.411 1.00 73.41 H new ATOM 0 HB3 LYS A 44 0.095 -9.726 -3.210 1.00 73.41 H new ATOM 0 HG2 LYS A 44 -2.370 -10.935 -2.471 1.00 33.23 H new ATOM 0 HG3 LYS A 44 -2.228 -11.133 -4.206 1.00 33.23 H new ATOM 0 HD2 LYS A 44 -0.098 -11.893 -2.166 1.00 73.44 H new ATOM 0 HD3 LYS A 44 -1.185 -13.014 -2.963 1.00 73.44 H new ATOM 0 HE2 LYS A 44 0.406 -11.205 -4.739 1.00 71.41 H new ATOM 0 HE3 LYS A 44 1.302 -12.444 -3.882 1.00 71.41 H new ATOM 0 HZ1 LYS A 44 0.556 -13.232 -6.032 1.00 1.22 H new ATOM 0 HZ2 LYS A 44 -0.196 -14.121 -4.796 1.00 1.22 H new ATOM 0 HZ3 LYS A 44 -1.064 -12.921 -5.626 1.00 1.22 H new ATOM 645 N LYS A 45 -2.827 -9.630 -0.677 1.00 35.24 N ATOM 646 CA LYS A 45 -3.064 -10.237 0.627 1.00 31.00 C ATOM 647 C LYS A 45 -2.188 -11.471 0.822 1.00 1.53 C ATOM 648 O LYS A 45 -1.847 -12.160 -0.140 1.00 64.00 O ATOM 649 CB LYS A 45 -4.539 -10.618 0.773 1.00 43.05 C ATOM 650 CG LYS A 45 -5.310 -9.716 1.722 1.00 55.14 C ATOM 651 CD LYS A 45 -6.586 -10.380 2.211 1.00 21.12 C ATOM 652 CE LYS A 45 -7.809 -9.832 1.492 1.00 33.21 C ATOM 653 NZ LYS A 45 -8.883 -10.856 1.365 1.00 41.34 N ATOM 0 H LYS A 45 -3.647 -9.600 -1.283 1.00 35.24 H new ATOM 0 HA LYS A 45 -2.805 -9.506 1.393 1.00 31.00 H new ATOM 0 HB2 LYS A 45 -5.012 -10.588 -0.208 1.00 43.05 H new ATOM 0 HB3 LYS A 45 -4.606 -11.646 1.128 1.00 43.05 H new ATOM 0 HG2 LYS A 45 -4.681 -9.462 2.575 1.00 55.14 H new ATOM 0 HG3 LYS A 45 -5.556 -8.781 1.218 1.00 55.14 H new ATOM 0 HD2 LYS A 45 -6.521 -11.456 2.053 1.00 21.12 H new ATOM 0 HD3 LYS A 45 -6.692 -10.222 3.284 1.00 21.12 H new ATOM 0 HE2 LYS A 45 -8.193 -8.968 2.035 1.00 33.21 H new ATOM 0 HE3 LYS A 45 -7.521 -9.483 0.500 1.00 33.21 H new ATOM 0 HZ1 LYS A 45 -9.699 -10.444 0.870 1.00 41.34 H new ATOM 0 HZ2 LYS A 45 -8.525 -11.669 0.825 1.00 41.34 H new ATOM 0 HZ3 LYS A 45 -9.176 -11.171 2.312 1.00 41.34 H new ATOM 663 N LEU A 46 -1.828 -11.743 2.071 1.00 33.23 N ATOM 664 CA LEU A 46 -0.992 -12.895 2.392 1.00 1.32 C ATOM 665 C LEU A 46 -1.747 -13.887 3.271 1.00 32.23 C ATOM 666 O LEU A 46 -2.899 -13.656 3.637 1.00 4.22 O ATOM 667 CB LEU A 46 0.286 -12.441 3.099 1.00 34.11 C ATOM 668 CG LEU A 46 1.157 -11.442 2.335 1.00 32.11 C ATOM 669 CD1 LEU A 46 2.284 -10.932 3.218 1.00 14.34 C ATOM 670 CD2 LEU A 46 1.714 -12.079 1.069 1.00 44.44 C ATOM 0 H LEU A 46 -2.101 -11.182 2.878 1.00 33.23 H new ATOM 0 HA LEU A 46 -0.727 -13.392 1.459 1.00 1.32 H new ATOM 0 HB2 LEU A 46 0.010 -11.995 4.055 1.00 34.11 H new ATOM 0 HB3 LEU A 46 0.888 -13.322 3.320 1.00 34.11 H new ATOM 0 HG LEU A 46 0.536 -10.593 2.048 1.00 32.11 H new ATOM 0 HD11 LEU A 46 2.893 -10.223 2.657 1.00 14.34 H new ATOM 0 HD12 LEU A 46 1.864 -10.437 4.094 1.00 14.34 H new ATOM 0 HD13 LEU A 46 2.904 -11.770 3.537 1.00 14.34 H new ATOM 0 HD21 LEU A 46 2.331 -11.354 0.538 1.00 44.44 H new ATOM 0 HD22 LEU A 46 2.319 -12.946 1.334 1.00 44.44 H new ATOM 0 HD23 LEU A 46 0.891 -12.394 0.427 1.00 44.44 H new ATOM 681 N ASP A 47 -1.089 -14.991 3.607 1.00 71.25 N ATOM 682 CA ASP A 47 -1.696 -16.017 4.446 1.00 62.21 C ATOM 683 C ASP A 47 -1.024 -16.069 5.814 1.00 61.32 C ATOM 684 O ASP A 47 0.065 -16.622 5.961 1.00 30.01 O ATOM 685 CB ASP A 47 -1.601 -17.384 3.766 1.00 24.34 C ATOM 686 CG ASP A 47 -1.466 -18.518 4.762 1.00 71.32 C ATOM 687 OD1 ASP A 47 -2.455 -18.814 5.462 1.00 65.33 O ATOM 688 OD2 ASP A 47 -0.369 -19.110 4.841 1.00 73.44 O ATOM 0 H ASP A 47 -0.135 -15.198 3.311 1.00 71.25 H new ATOM 0 HA ASP A 47 -2.746 -15.761 4.587 1.00 62.21 H new ATOM 0 HB2 ASP A 47 -2.489 -17.545 3.155 1.00 24.34 H new ATOM 0 HB3 ASP A 47 -0.744 -17.392 3.092 1.00 24.34 H new ATOM 692 N SER A 48 -1.682 -15.488 6.813 1.00 55.34 N ATOM 693 CA SER A 48 -1.145 -15.463 8.168 1.00 62.04 C ATOM 694 C SER A 48 -1.630 -16.671 8.966 1.00 54.53 C ATOM 695 O SER A 48 -0.834 -17.389 9.569 1.00 61.13 O ATOM 696 CB SER A 48 -1.555 -14.171 8.878 1.00 31.30 C ATOM 697 OG SER A 48 -0.753 -13.942 10.023 1.00 63.03 O ATOM 0 H SER A 48 -2.587 -15.029 6.709 1.00 55.34 H new ATOM 0 HA SER A 48 -0.058 -15.504 8.103 1.00 62.04 H new ATOM 0 HB2 SER A 48 -1.462 -13.330 8.191 1.00 31.30 H new ATOM 0 HB3 SER A 48 -2.603 -14.230 9.170 1.00 31.30 H new ATOM 0 HG SER A 48 -1.312 -13.596 10.750 1.00 63.03 H new ATOM 702 N GLY A 49 -2.941 -16.887 8.963 1.00 5.22 N ATOM 703 CA GLY A 49 -3.511 -18.007 9.690 1.00 54.10 C ATOM 704 C GLY A 49 -4.329 -17.566 10.887 1.00 73.34 C ATOM 705 O GLY A 49 -5.530 -17.830 10.959 1.00 33.11 O ATOM 0 H GLY A 49 -3.620 -16.306 8.470 1.00 5.22 H new ATOM 0 HA2 GLY A 49 -4.141 -18.589 9.018 1.00 54.10 H new ATOM 0 HA3 GLY A 49 -2.709 -18.665 10.025 1.00 54.10 H new ATOM 709 N THR A 50 -3.679 -16.893 11.832 1.00 22.52 N ATOM 710 CA THR A 50 -4.353 -16.418 13.033 1.00 31.01 C ATOM 711 C THR A 50 -5.493 -15.468 12.683 1.00 71.12 C ATOM 712 O THR A 50 -6.446 -15.319 13.447 1.00 2.32 O ATOM 713 CB THR A 50 -3.374 -15.701 13.980 1.00 13.32 C ATOM 714 OG1 THR A 50 -4.096 -15.051 15.032 1.00 63.23 O ATOM 715 CG2 THR A 50 -2.542 -14.676 13.223 1.00 74.11 C ATOM 0 H THR A 50 -2.686 -16.665 11.788 1.00 22.52 H new ATOM 0 HA THR A 50 -4.757 -17.296 13.538 1.00 31.01 H new ATOM 0 HB THR A 50 -2.704 -16.448 14.407 1.00 13.32 H new ATOM 0 HG1 THR A 50 -3.465 -14.599 15.631 1.00 63.23 H new ATOM 0 HG21 THR A 50 -1.858 -14.182 13.913 1.00 74.11 H new ATOM 0 HG22 THR A 50 -1.971 -15.177 12.441 1.00 74.11 H new ATOM 0 HG23 THR A 50 -3.201 -13.934 12.772 1.00 74.11 H new ATOM 723 N GLY A 51 -5.389 -14.827 11.523 1.00 71.33 N ATOM 724 CA GLY A 51 -6.419 -13.899 11.093 1.00 64.15 C ATOM 725 C GLY A 51 -5.939 -12.461 11.089 1.00 31.31 C ATOM 726 O GLY A 51 -6.632 -11.566 11.574 1.00 35.01 O ATOM 0 H GLY A 51 -4.610 -14.934 10.873 1.00 71.33 H new ATOM 0 HA2 GLY A 51 -6.753 -14.170 10.091 1.00 64.15 H new ATOM 0 HA3 GLY A 51 -7.283 -13.989 11.752 1.00 64.15 H new ATOM 730 N LYS A 52 -4.749 -12.238 10.543 1.00 35.30 N ATOM 731 CA LYS A 52 -4.175 -10.899 10.477 1.00 60.23 C ATOM 732 C LYS A 52 -4.470 -10.246 9.130 1.00 71.23 C ATOM 733 O LYS A 52 -4.784 -10.929 8.155 1.00 44.53 O ATOM 734 CB LYS A 52 -2.663 -10.958 10.707 1.00 44.32 C ATOM 735 CG LYS A 52 -2.279 -11.296 12.137 1.00 20.53 C ATOM 736 CD LYS A 52 -2.455 -10.102 13.060 1.00 75.12 C ATOM 737 CE LYS A 52 -1.298 -9.123 12.930 1.00 61.11 C ATOM 738 NZ LYS A 52 -0.233 -9.387 13.937 1.00 14.43 N ATOM 0 H LYS A 52 -4.162 -12.968 10.139 1.00 35.30 H new ATOM 0 HA LYS A 52 -4.632 -10.296 11.261 1.00 60.23 H new ATOM 0 HB2 LYS A 52 -2.231 -11.702 10.038 1.00 44.32 H new ATOM 0 HB3 LYS A 52 -2.225 -9.996 10.440 1.00 44.32 H new ATOM 0 HG2 LYS A 52 -2.891 -12.125 12.493 1.00 20.53 H new ATOM 0 HG3 LYS A 52 -1.242 -11.630 12.167 1.00 20.53 H new ATOM 0 HD2 LYS A 52 -3.391 -9.594 12.826 1.00 75.12 H new ATOM 0 HD3 LYS A 52 -2.528 -10.446 14.092 1.00 75.12 H new ATOM 0 HE2 LYS A 52 -0.875 -9.191 11.928 1.00 61.11 H new ATOM 0 HE3 LYS A 52 -1.668 -8.105 13.051 1.00 61.11 H new ATOM 0 HZ1 LYS A 52 0.538 -8.699 13.816 1.00 14.43 H new ATOM 0 HZ2 LYS A 52 -0.630 -9.297 14.894 1.00 14.43 H new ATOM 0 HZ3 LYS A 52 0.138 -10.350 13.805 1.00 14.43 H new ATOM 748 N GLU A 53 -4.365 -8.922 9.085 1.00 22.02 N ATOM 749 CA GLU A 53 -4.621 -8.178 7.857 1.00 10.21 C ATOM 750 C GLU A 53 -3.334 -7.565 7.315 1.00 13.55 C ATOM 751 O GLU A 53 -3.023 -6.403 7.585 1.00 20.21 O ATOM 752 CB GLU A 53 -5.657 -7.079 8.105 1.00 71.53 C ATOM 753 CG GLU A 53 -6.754 -7.486 9.074 1.00 44.52 C ATOM 754 CD GLU A 53 -7.671 -8.551 8.504 1.00 32.14 C ATOM 755 OE1 GLU A 53 -8.582 -8.194 7.727 1.00 31.02 O ATOM 756 OE2 GLU A 53 -7.478 -9.739 8.834 1.00 70.12 O ATOM 0 H GLU A 53 -4.105 -8.343 9.883 1.00 22.02 H new ATOM 0 HA GLU A 53 -5.012 -8.875 7.116 1.00 10.21 H new ATOM 0 HB2 GLU A 53 -5.151 -6.195 8.492 1.00 71.53 H new ATOM 0 HB3 GLU A 53 -6.110 -6.796 7.154 1.00 71.53 H new ATOM 0 HG2 GLU A 53 -6.302 -7.856 9.994 1.00 44.52 H new ATOM 0 HG3 GLU A 53 -7.343 -6.608 9.339 1.00 44.52 H new ATOM 761 N LEU A 54 -2.586 -8.353 6.549 1.00 5.31 N ATOM 762 CA LEU A 54 -1.331 -7.889 5.968 1.00 50.41 C ATOM 763 C LEU A 54 -1.349 -8.030 4.449 1.00 52.34 C ATOM 764 O LEU A 54 -2.102 -8.832 3.899 1.00 32.43 O ATOM 765 CB LEU A 54 -0.156 -8.675 6.551 1.00 54.22 C ATOM 766 CG LEU A 54 -0.485 -10.060 7.108 1.00 43.43 C ATOM 767 CD1 LEU A 54 -0.956 -10.984 5.996 1.00 71.04 C ATOM 768 CD2 LEU A 54 0.725 -10.650 7.818 1.00 1.11 C ATOM 0 H LEU A 54 -2.827 -9.316 6.316 1.00 5.31 H new ATOM 0 HA LEU A 54 -1.213 -6.834 6.215 1.00 50.41 H new ATOM 0 HB2 LEU A 54 0.600 -8.788 5.774 1.00 54.22 H new ATOM 0 HB3 LEU A 54 0.292 -8.082 7.348 1.00 54.22 H new ATOM 0 HG LEU A 54 -1.292 -9.957 7.833 1.00 43.43 H new ATOM 0 HD11 LEU A 54 -1.186 -11.965 6.411 1.00 71.04 H new ATOM 0 HD12 LEU A 54 -1.850 -10.568 5.532 1.00 71.04 H new ATOM 0 HD13 LEU A 54 -0.170 -11.082 5.247 1.00 71.04 H new ATOM 0 HD21 LEU A 54 0.473 -11.636 8.208 1.00 1.11 H new ATOM 0 HD22 LEU A 54 1.552 -10.739 7.114 1.00 1.11 H new ATOM 0 HD23 LEU A 54 1.018 -9.998 8.641 1.00 1.11 H new ATOM 779 N VAL A 55 -0.512 -7.244 3.778 1.00 21.52 N ATOM 780 CA VAL A 55 -0.429 -7.284 2.322 1.00 42.22 C ATOM 781 C VAL A 55 1.010 -7.113 1.850 1.00 34.31 C ATOM 782 O VAL A 55 1.635 -6.080 2.088 1.00 12.01 O ATOM 783 CB VAL A 55 -1.302 -6.189 1.680 1.00 42.31 C ATOM 784 CG1 VAL A 55 -2.688 -6.728 1.362 1.00 70.23 C ATOM 785 CG2 VAL A 55 -1.390 -4.975 2.593 1.00 51.11 C ATOM 0 H VAL A 55 0.117 -6.573 4.219 1.00 21.52 H new ATOM 0 HA VAL A 55 -0.797 -8.261 2.010 1.00 42.22 H new ATOM 0 HB VAL A 55 -0.836 -5.879 0.745 1.00 42.31 H new ATOM 0 HG11 VAL A 55 -3.290 -5.940 0.909 1.00 70.23 H new ATOM 0 HG12 VAL A 55 -2.603 -7.564 0.668 1.00 70.23 H new ATOM 0 HG13 VAL A 55 -3.166 -7.067 2.281 1.00 70.23 H new ATOM 0 HG21 VAL A 55 -2.010 -4.211 2.124 1.00 51.11 H new ATOM 0 HG22 VAL A 55 -1.832 -5.267 3.545 1.00 51.11 H new ATOM 0 HG23 VAL A 55 -0.390 -4.576 2.765 1.00 51.11 H new ATOM 795 N LEU A 56 1.530 -8.134 1.178 1.00 31.43 N ATOM 796 CA LEU A 56 2.898 -8.098 0.669 1.00 63.21 C ATOM 797 C LEU A 56 3.006 -7.168 -0.536 1.00 71.34 C ATOM 798 O LEU A 56 2.058 -7.023 -1.307 1.00 54.31 O ATOM 799 CB LEU A 56 3.356 -9.506 0.284 1.00 41.43 C ATOM 800 CG LEU A 56 4.834 -9.655 -0.078 1.00 13.43 C ATOM 801 CD1 LEU A 56 5.131 -8.964 -1.401 1.00 40.42 C ATOM 802 CD2 LEU A 56 5.714 -9.091 1.028 1.00 60.32 C ATOM 0 H LEU A 56 1.026 -8.997 0.973 1.00 31.43 H new ATOM 0 HA LEU A 56 3.544 -7.715 1.459 1.00 63.21 H new ATOM 0 HB2 LEU A 56 3.136 -10.178 1.114 1.00 41.43 H new ATOM 0 HB3 LEU A 56 2.759 -9.841 -0.564 1.00 41.43 H new ATOM 0 HG LEU A 56 5.056 -10.717 -0.186 1.00 13.43 H new ATOM 0 HD11 LEU A 56 6.187 -9.080 -1.643 1.00 40.42 H new ATOM 0 HD12 LEU A 56 4.527 -9.413 -2.189 1.00 40.42 H new ATOM 0 HD13 LEU A 56 4.892 -7.904 -1.319 1.00 40.42 H new ATOM 0 HD21 LEU A 56 6.762 -9.206 0.753 1.00 60.32 H new ATOM 0 HD22 LEU A 56 5.489 -8.034 1.168 1.00 60.32 H new ATOM 0 HD23 LEU A 56 5.521 -9.629 1.956 1.00 60.32 H new ATOM 813 N ALA A 57 4.169 -6.543 -0.690 1.00 65.40 N ATOM 814 CA ALA A 57 4.403 -5.631 -1.802 1.00 21.35 C ATOM 815 C ALA A 57 5.048 -6.356 -2.980 1.00 5.43 C ATOM 816 O ALA A 57 6.208 -6.760 -2.913 1.00 74.44 O ATOM 817 CB ALA A 57 5.274 -4.467 -1.356 1.00 2.53 C ATOM 0 H ALA A 57 4.963 -6.652 -0.059 1.00 65.40 H new ATOM 0 HA ALA A 57 3.439 -5.243 -2.131 1.00 21.35 H new ATOM 0 HB1 ALA A 57 5.440 -3.794 -2.197 1.00 2.53 H new ATOM 0 HB2 ALA A 57 4.775 -3.926 -0.552 1.00 2.53 H new ATOM 0 HB3 ALA A 57 6.232 -4.845 -0.999 1.00 2.53 H new ATOM 823 N LEU A 58 4.287 -6.516 -4.058 1.00 42.33 N ATOM 824 CA LEU A 58 4.784 -7.192 -5.251 1.00 10.11 C ATOM 825 C LEU A 58 5.665 -6.261 -6.078 1.00 42.41 C ATOM 826 O LEU A 58 6.662 -6.688 -6.661 1.00 53.25 O ATOM 827 CB LEU A 58 3.615 -7.694 -6.100 1.00 34.41 C ATOM 828 CG LEU A 58 2.470 -8.361 -5.338 1.00 51.10 C ATOM 829 CD1 LEU A 58 1.258 -8.534 -6.240 1.00 24.11 C ATOM 830 CD2 LEU A 58 2.913 -9.704 -4.775 1.00 54.24 C ATOM 0 H LEU A 58 3.324 -6.187 -4.130 1.00 42.33 H new ATOM 0 HA LEU A 58 5.386 -8.043 -4.932 1.00 10.11 H new ATOM 0 HB2 LEU A 58 3.210 -6.851 -6.659 1.00 34.41 H new ATOM 0 HB3 LEU A 58 4.001 -8.405 -6.830 1.00 34.41 H new ATOM 0 HG LEU A 58 2.190 -7.716 -4.506 1.00 51.10 H new ATOM 0 HD11 LEU A 58 0.453 -9.010 -5.680 1.00 24.11 H new ATOM 0 HD12 LEU A 58 0.926 -7.558 -6.594 1.00 24.11 H new ATOM 0 HD13 LEU A 58 1.525 -9.158 -7.093 1.00 24.11 H new ATOM 0 HD21 LEU A 58 2.085 -10.164 -4.236 1.00 54.24 H new ATOM 0 HD22 LEU A 58 3.221 -10.357 -5.591 1.00 54.24 H new ATOM 0 HD23 LEU A 58 3.751 -9.554 -4.094 1.00 54.24 H new ATOM 841 N TYR A 59 5.291 -4.987 -6.123 1.00 42.25 N ATOM 842 CA TYR A 59 6.047 -3.995 -6.878 1.00 35.10 C ATOM 843 C TYR A 59 6.519 -2.862 -5.971 1.00 43.24 C ATOM 844 O TYR A 59 6.177 -2.815 -4.790 1.00 65.04 O ATOM 845 CB TYR A 59 5.194 -3.431 -8.015 1.00 13.23 C ATOM 846 CG TYR A 59 4.377 -4.478 -8.737 1.00 62.34 C ATOM 847 CD1 TYR A 59 4.880 -5.755 -8.950 1.00 74.41 C ATOM 848 CD2 TYR A 59 3.099 -4.191 -9.203 1.00 34.51 C ATOM 849 CE1 TYR A 59 4.137 -6.716 -9.609 1.00 11.44 C ATOM 850 CE2 TYR A 59 2.349 -5.145 -9.863 1.00 65.53 C ATOM 851 CZ TYR A 59 2.872 -6.406 -10.063 1.00 11.35 C ATOM 852 OH TYR A 59 2.128 -7.360 -10.719 1.00 43.23 O ATOM 0 H TYR A 59 4.469 -4.617 -5.646 1.00 42.25 H new ATOM 0 HA TYR A 59 6.924 -4.487 -7.299 1.00 35.10 H new ATOM 0 HB2 TYR A 59 4.523 -2.673 -7.612 1.00 13.23 H new ATOM 0 HB3 TYR A 59 5.845 -2.932 -8.733 1.00 13.23 H new ATOM 0 HD1 TYR A 59 5.870 -6.001 -8.594 1.00 74.41 H new ATOM 0 HD2 TYR A 59 2.686 -3.206 -9.046 1.00 34.51 H new ATOM 0 HE1 TYR A 59 4.544 -7.704 -9.768 1.00 11.44 H new ATOM 0 HE2 TYR A 59 1.359 -4.905 -10.221 1.00 65.53 H new ATOM 0 HH TYR A 59 1.260 -6.981 -10.972 1.00 43.23 H new ATOM 861 N ASP A 60 7.305 -1.952 -6.533 1.00 41.01 N ATOM 862 CA ASP A 60 7.823 -0.817 -5.777 1.00 73.41 C ATOM 863 C ASP A 60 6.955 0.419 -5.988 1.00 31.45 C ATOM 864 O ASP A 60 6.685 0.814 -7.123 1.00 71.44 O ATOM 865 CB ASP A 60 9.266 -0.519 -6.189 1.00 52.13 C ATOM 866 CG ASP A 60 9.359 0.605 -7.202 1.00 43.32 C ATOM 867 OD1 ASP A 60 8.965 0.388 -8.366 1.00 63.41 O ATOM 868 OD2 ASP A 60 9.826 1.702 -6.830 1.00 41.30 O ATOM 0 H ASP A 60 7.598 -1.977 -7.510 1.00 41.01 H new ATOM 0 HA ASP A 60 7.801 -1.077 -4.719 1.00 73.41 H new ATOM 0 HB2 ASP A 60 9.846 -0.256 -5.305 1.00 52.13 H new ATOM 0 HB3 ASP A 60 9.714 -1.420 -6.608 1.00 52.13 H new ATOM 872 N TYR A 61 6.521 1.025 -4.890 1.00 41.44 N ATOM 873 CA TYR A 61 5.680 2.215 -4.954 1.00 22.31 C ATOM 874 C TYR A 61 6.203 3.304 -4.023 1.00 32.03 C ATOM 875 O TYR A 61 7.059 3.051 -3.175 1.00 20.30 O ATOM 876 CB TYR A 61 4.237 1.865 -4.588 1.00 42.32 C ATOM 877 CG TYR A 61 3.276 3.023 -4.739 1.00 0.23 C ATOM 878 CD1 TYR A 61 3.172 3.998 -3.755 1.00 33.10 C ATOM 879 CD2 TYR A 61 2.471 3.141 -5.865 1.00 62.01 C ATOM 880 CE1 TYR A 61 2.296 5.058 -3.888 1.00 61.12 C ATOM 881 CE2 TYR A 61 1.593 4.198 -6.008 1.00 60.12 C ATOM 882 CZ TYR A 61 1.509 5.153 -5.016 1.00 24.22 C ATOM 883 OH TYR A 61 0.634 6.207 -5.154 1.00 73.32 O ATOM 0 H TYR A 61 6.737 0.712 -3.944 1.00 41.44 H new ATOM 0 HA TYR A 61 5.708 2.593 -5.976 1.00 22.31 H new ATOM 0 HB2 TYR A 61 3.901 1.041 -5.217 1.00 42.32 H new ATOM 0 HB3 TYR A 61 4.208 1.512 -3.557 1.00 42.32 H new ATOM 0 HD1 TYR A 61 3.787 3.926 -2.870 1.00 33.10 H new ATOM 0 HD2 TYR A 61 2.533 2.393 -6.642 1.00 62.01 H new ATOM 0 HE1 TYR A 61 2.228 5.807 -3.113 1.00 61.12 H new ATOM 0 HE2 TYR A 61 0.976 4.276 -6.891 1.00 60.12 H new ATOM 0 HH TYR A 61 -0.054 5.977 -5.813 1.00 73.32 H new ATOM 892 N GLN A 62 5.683 4.516 -4.188 1.00 30.43 N ATOM 893 CA GLN A 62 6.097 5.644 -3.363 1.00 71.45 C ATOM 894 C GLN A 62 4.957 6.643 -3.195 1.00 60.24 C ATOM 895 O GLN A 62 4.456 7.196 -4.173 1.00 50.53 O ATOM 896 CB GLN A 62 7.312 6.337 -3.983 1.00 61.45 C ATOM 897 CG GLN A 62 7.494 7.774 -3.521 1.00 62.50 C ATOM 898 CD GLN A 62 7.909 7.871 -2.065 1.00 25.34 C ATOM 899 OE1 GLN A 62 6.928 7.898 -1.170 1.00 21.13 O flip ATOM 900 NE2 GLN A 62 9.098 7.920 -1.749 1.00 1.43 N flip ATOM 0 H GLN A 62 4.974 4.742 -4.886 1.00 30.43 H new ATOM 0 HA GLN A 62 6.368 5.262 -2.379 1.00 71.45 H new ATOM 0 HB2 GLN A 62 8.209 5.769 -3.737 1.00 61.45 H new ATOM 0 HB3 GLN A 62 7.213 6.323 -5.068 1.00 61.45 H new ATOM 0 HG2 GLN A 62 8.247 8.259 -4.143 1.00 62.50 H new ATOM 0 HG3 GLN A 62 6.561 8.319 -3.666 1.00 62.50 H new ATOM 0 HE21 GLN A 62 9.819 7.896 -2.470 1.00 1.43 H new ATOM 0 HE22 GLN A 62 9.362 7.984 -0.766 1.00 1.43 H new ATOM 907 N GLU A 63 4.553 6.868 -1.949 1.00 74.52 N ATOM 908 CA GLU A 63 3.471 7.800 -1.654 1.00 43.30 C ATOM 909 C GLU A 63 3.974 8.968 -0.811 1.00 13.41 C ATOM 910 O GLU A 63 4.667 8.774 0.188 1.00 11.42 O ATOM 911 CB GLU A 63 2.335 7.082 -0.923 1.00 64.02 C ATOM 912 CG GLU A 63 0.951 7.566 -1.324 1.00 42.31 C ATOM 913 CD GLU A 63 0.916 9.056 -1.609 1.00 25.54 C ATOM 914 OE1 GLU A 63 0.998 9.847 -0.646 1.00 14.43 O ATOM 915 OE2 GLU A 63 0.803 9.429 -2.795 1.00 23.24 O ATOM 0 H GLU A 63 4.958 6.418 -1.128 1.00 74.52 H new ATOM 0 HA GLU A 63 3.095 8.192 -2.599 1.00 43.30 H new ATOM 0 HB2 GLU A 63 2.407 6.012 -1.119 1.00 64.02 H new ATOM 0 HB3 GLU A 63 2.462 7.219 0.151 1.00 64.02 H new ATOM 0 HG2 GLU A 63 0.622 7.022 -2.210 1.00 42.31 H new ATOM 0 HG3 GLU A 63 0.244 7.335 -0.527 1.00 42.31 H new ATOM 920 N SER A 64 3.621 10.183 -1.223 1.00 60.34 N ATOM 921 CA SER A 64 4.040 11.383 -0.509 1.00 73.31 C ATOM 922 C SER A 64 2.863 12.015 0.229 1.00 14.15 C ATOM 923 O SER A 64 2.100 12.790 -0.346 1.00 22.32 O ATOM 924 CB SER A 64 4.649 12.393 -1.483 1.00 45.52 C ATOM 925 OG SER A 64 5.902 11.944 -1.967 1.00 3.23 O ATOM 0 H SER A 64 3.046 10.361 -2.047 1.00 60.34 H new ATOM 0 HA SER A 64 4.794 11.096 0.225 1.00 73.31 H new ATOM 0 HB2 SER A 64 3.968 12.552 -2.319 1.00 45.52 H new ATOM 0 HB3 SER A 64 4.772 13.355 -0.985 1.00 45.52 H new ATOM 0 HG SER A 64 6.269 12.607 -2.589 1.00 3.23 H new ATOM 930 N GLY A 65 2.723 11.677 1.507 1.00 42.50 N ATOM 931 CA GLY A 65 1.638 12.219 2.303 1.00 23.03 C ATOM 932 C GLY A 65 0.302 11.584 1.971 1.00 11.32 C ATOM 933 O GLY A 65 -0.162 11.657 0.833 1.00 25.31 O ATOM 0 H GLY A 65 3.342 11.037 2.005 1.00 42.50 H new ATOM 0 HA2 GLY A 65 1.856 12.067 3.360 1.00 23.03 H new ATOM 0 HA3 GLY A 65 1.575 13.295 2.142 1.00 23.03 H new ATOM 937 N ASP A 66 -0.317 10.959 2.967 1.00 35.13 N ATOM 938 CA ASP A 66 -1.608 10.307 2.774 1.00 50.41 C ATOM 939 C ASP A 66 -2.479 11.102 1.807 1.00 42.45 C ATOM 940 O ASP A 66 -3.029 12.144 2.165 1.00 62.43 O ATOM 941 CB ASP A 66 -2.326 10.147 4.115 1.00 1.41 C ATOM 942 CG ASP A 66 -2.111 11.334 5.032 1.00 63.04 C ATOM 943 OD1 ASP A 66 -0.960 11.548 5.467 1.00 55.15 O ATOM 944 OD2 ASP A 66 -3.094 12.050 5.316 1.00 2.43 O ATOM 0 H ASP A 66 0.053 10.890 3.915 1.00 35.13 H new ATOM 0 HA ASP A 66 -1.430 9.321 2.346 1.00 50.41 H new ATOM 0 HB2 ASP A 66 -3.394 10.016 3.939 1.00 1.41 H new ATOM 0 HB3 ASP A 66 -1.971 9.242 4.608 1.00 1.41 H new ATOM 948 N ASN A 67 -2.600 10.604 0.581 1.00 41.31 N ATOM 949 CA ASN A 67 -3.404 11.270 -0.438 1.00 10.31 C ATOM 950 C ASN A 67 -4.480 10.334 -0.979 1.00 42.13 C ATOM 951 O ASN A 67 -4.248 9.138 -1.153 1.00 0.30 O ATOM 952 CB ASN A 67 -2.512 11.755 -1.583 1.00 24.44 C ATOM 953 CG ASN A 67 -1.555 12.847 -1.148 1.00 43.44 C ATOM 954 OD1 ASN A 67 -0.355 12.779 -1.415 1.00 42.15 O ATOM 955 ND2 ASN A 67 -2.083 13.863 -0.474 1.00 23.50 N ATOM 0 H ASN A 67 -2.152 9.742 0.269 1.00 41.31 H new ATOM 0 HA ASN A 67 -3.892 12.129 0.023 1.00 10.31 H new ATOM 0 HB2 ASN A 67 -1.943 10.913 -1.978 1.00 24.44 H new ATOM 0 HB3 ASN A 67 -3.137 12.126 -2.395 1.00 24.44 H new ATOM 0 HD21 ASN A 67 -1.488 14.628 -0.156 1.00 23.50 H new ATOM 0 HD22 ASN A 67 -3.083 13.878 -0.275 1.00 23.50 H new ATOM 961 N ALA A 68 -5.660 10.887 -1.242 1.00 41.03 N ATOM 962 CA ALA A 68 -6.772 10.103 -1.764 1.00 4.12 C ATOM 963 C ALA A 68 -6.505 9.659 -3.199 1.00 41.22 C ATOM 964 O ALA A 68 -5.946 10.399 -4.009 1.00 53.35 O ATOM 965 CB ALA A 68 -8.064 10.904 -1.689 1.00 12.01 C ATOM 0 H ALA A 68 -5.870 11.875 -1.102 1.00 41.03 H new ATOM 0 HA ALA A 68 -6.875 9.210 -1.148 1.00 4.12 H new ATOM 0 HB1 ALA A 68 -8.886 10.306 -2.082 1.00 12.01 H new ATOM 0 HB2 ALA A 68 -8.270 11.166 -0.651 1.00 12.01 H new ATOM 0 HB3 ALA A 68 -7.963 11.814 -2.280 1.00 12.01 H new ATOM 971 N PRO A 69 -6.912 8.423 -3.522 1.00 23.01 N ATOM 972 CA PRO A 69 -6.727 7.854 -4.860 1.00 22.13 C ATOM 973 C PRO A 69 -7.613 8.526 -5.904 1.00 24.34 C ATOM 974 O PRO A 69 -7.222 9.518 -6.518 1.00 60.11 O ATOM 975 CB PRO A 69 -7.130 6.388 -4.681 1.00 43.24 C ATOM 976 CG PRO A 69 -8.063 6.391 -3.520 1.00 4.50 C ATOM 977 CD PRO A 69 -7.586 7.487 -2.607 1.00 44.20 C ATOM 0 HA PRO A 69 -5.708 7.989 -5.223 1.00 22.13 H new ATOM 0 HB2 PRO A 69 -7.614 5.998 -5.577 1.00 43.24 H new ATOM 0 HB3 PRO A 69 -6.261 5.759 -4.489 1.00 43.24 H new ATOM 0 HG2 PRO A 69 -9.088 6.572 -3.844 1.00 4.50 H new ATOM 0 HG3 PRO A 69 -8.055 5.428 -3.010 1.00 4.50 H new ATOM 0 HD2 PRO A 69 -8.415 7.963 -2.084 1.00 44.20 H new ATOM 0 HD3 PRO A 69 -6.904 7.108 -1.846 1.00 44.20 H new ATOM 982 N SER A 70 -8.809 7.978 -6.100 1.00 52.22 N ATOM 983 CA SER A 70 -9.749 8.522 -7.072 1.00 41.34 C ATOM 984 C SER A 70 -9.330 8.162 -8.494 1.00 51.45 C ATOM 985 O SER A 70 -10.093 7.554 -9.243 1.00 22.32 O ATOM 986 CB SER A 70 -9.844 10.042 -6.926 1.00 52.31 C ATOM 987 OG SER A 70 -11.103 10.520 -7.364 1.00 23.23 O ATOM 0 H SER A 70 -9.149 7.158 -5.598 1.00 52.22 H new ATOM 0 HA SER A 70 -10.728 8.083 -6.878 1.00 41.34 H new ATOM 0 HB2 SER A 70 -9.689 10.320 -5.884 1.00 52.31 H new ATOM 0 HB3 SER A 70 -9.051 10.516 -7.504 1.00 52.31 H new ATOM 0 HG SER A 70 -11.138 11.494 -7.258 1.00 23.23 H new ATOM 992 N TYR A 71 -8.111 8.543 -8.859 1.00 73.02 N ATOM 993 CA TYR A 71 -7.588 8.263 -10.191 1.00 24.11 C ATOM 994 C TYR A 71 -7.146 6.808 -10.308 1.00 62.30 C ATOM 995 O TYR A 71 -7.112 6.076 -9.319 1.00 31.22 O ATOM 996 CB TYR A 71 -6.415 9.192 -10.508 1.00 3.01 C ATOM 997 CG TYR A 71 -5.395 9.280 -9.395 1.00 60.52 C ATOM 998 CD1 TYR A 71 -4.441 8.286 -9.220 1.00 34.22 C ATOM 999 CD2 TYR A 71 -5.385 10.358 -8.519 1.00 50.21 C ATOM 1000 CE1 TYR A 71 -3.508 8.361 -8.204 1.00 15.22 C ATOM 1001 CE2 TYR A 71 -4.455 10.444 -7.501 1.00 31.32 C ATOM 1002 CZ TYR A 71 -3.519 9.443 -7.348 1.00 51.23 C ATOM 1003 OH TYR A 71 -2.590 9.523 -6.336 1.00 13.41 O ATOM 0 H TYR A 71 -7.466 9.047 -8.251 1.00 73.02 H new ATOM 0 HA TYR A 71 -8.387 8.440 -10.911 1.00 24.11 H new ATOM 0 HB2 TYR A 71 -5.921 8.844 -11.415 1.00 3.01 H new ATOM 0 HB3 TYR A 71 -6.799 10.190 -10.717 1.00 3.01 H new ATOM 0 HD1 TYR A 71 -4.428 7.439 -9.890 1.00 34.22 H new ATOM 0 HD2 TYR A 71 -6.117 11.143 -8.636 1.00 50.21 H new ATOM 0 HE1 TYR A 71 -2.775 7.578 -8.081 1.00 15.22 H new ATOM 0 HE2 TYR A 71 -4.461 11.290 -6.829 1.00 31.32 H new ATOM 0 HH TYR A 71 -2.734 10.346 -5.824 1.00 13.41 H new ATOM 1012 N SER A 72 -6.807 6.396 -11.526 1.00 61.53 N ATOM 1013 CA SER A 72 -6.369 5.027 -11.774 1.00 35.03 C ATOM 1014 C SER A 72 -4.949 4.810 -11.262 1.00 35.11 C ATOM 1015 O SER A 72 -4.121 5.721 -11.245 1.00 50.31 O ATOM 1016 CB SER A 72 -6.438 4.711 -13.271 1.00 42.15 C ATOM 1017 OG SER A 72 -5.573 5.556 -14.010 1.00 22.33 O ATOM 0 H SER A 72 -6.827 6.990 -12.355 1.00 61.53 H new ATOM 0 HA SER A 72 -7.037 4.354 -11.236 1.00 35.03 H new ATOM 0 HB2 SER A 72 -6.165 3.669 -13.439 1.00 42.15 H new ATOM 0 HB3 SER A 72 -7.462 4.834 -13.625 1.00 42.15 H new ATOM 0 HG SER A 72 -5.634 5.334 -14.963 1.00 22.33 H new ATOM 1022 N PRO A 73 -4.658 3.572 -10.834 1.00 53.30 N ATOM 1023 CA PRO A 73 -3.338 3.204 -10.313 1.00 11.22 C ATOM 1024 C PRO A 73 -2.271 3.184 -11.402 1.00 34.12 C ATOM 1025 O PRO A 73 -2.557 2.988 -12.583 1.00 21.22 O ATOM 1026 CB PRO A 73 -3.557 1.796 -9.753 1.00 31.43 C ATOM 1027 CG PRO A 73 -4.712 1.258 -10.526 1.00 72.24 C ATOM 1028 CD PRO A 73 -5.596 2.437 -10.826 1.00 74.02 C ATOM 0 HA PRO A 73 -2.977 3.920 -9.574 1.00 11.22 H new ATOM 0 HB2 PRO A 73 -2.670 1.176 -9.883 1.00 31.43 H new ATOM 0 HB3 PRO A 73 -3.773 1.824 -8.685 1.00 31.43 H new ATOM 0 HG2 PRO A 73 -4.376 0.778 -11.445 1.00 72.24 H new ATOM 0 HG3 PRO A 73 -5.249 0.504 -9.951 1.00 72.24 H new ATOM 0 HD2 PRO A 73 -6.102 2.327 -11.785 1.00 74.02 H new ATOM 0 HD3 PRO A 73 -6.371 2.561 -10.070 1.00 74.02 H new ATOM 1033 N PRO A 74 -1.008 3.391 -10.998 1.00 23.02 N ATOM 1034 CA PRO A 74 0.128 3.400 -11.925 1.00 42.14 C ATOM 1035 C PRO A 74 0.431 2.015 -12.485 1.00 41.04 C ATOM 1036 O PRO A 74 0.157 0.992 -11.857 1.00 63.12 O ATOM 1037 CB PRO A 74 1.289 3.892 -11.056 1.00 75.13 C ATOM 1038 CG PRO A 74 0.905 3.521 -9.665 1.00 10.24 C ATOM 1039 CD PRO A 74 -0.593 3.631 -9.606 1.00 23.41 C ATOM 0 HA PRO A 74 -0.063 4.023 -12.799 1.00 42.14 H new ATOM 0 HB2 PRO A 74 2.228 3.421 -11.346 1.00 75.13 H new ATOM 0 HB3 PRO A 74 1.429 4.969 -11.154 1.00 75.13 H new ATOM 0 HG2 PRO A 74 1.232 2.509 -9.427 1.00 10.24 H new ATOM 0 HG3 PRO A 74 1.374 4.186 -8.940 1.00 10.24 H new ATOM 0 HD2 PRO A 74 -1.023 2.896 -8.926 1.00 23.41 H new ATOM 0 HD3 PRO A 74 -0.910 4.613 -9.256 1.00 23.41 H new ATOM 1044 N PRO A 75 1.010 1.978 -13.693 1.00 13.01 N ATOM 1045 CA PRO A 75 1.363 0.723 -14.364 1.00 74.12 C ATOM 1046 C PRO A 75 2.522 0.007 -13.679 1.00 21.34 C ATOM 1047 O PRO A 75 3.586 0.579 -13.444 1.00 33.34 O ATOM 1048 CB PRO A 75 1.770 1.174 -15.769 1.00 4.21 C ATOM 1049 CG PRO A 75 2.213 2.586 -15.600 1.00 72.11 C ATOM 1050 CD PRO A 75 1.365 3.158 -14.499 1.00 31.24 C ATOM 0 HA PRO A 75 0.540 0.009 -14.352 1.00 74.12 H new ATOM 0 HB2 PRO A 75 2.572 0.553 -16.167 1.00 4.21 H new ATOM 0 HB3 PRO A 75 0.935 1.102 -16.465 1.00 4.21 H new ATOM 0 HG2 PRO A 75 3.271 2.635 -15.343 1.00 72.11 H new ATOM 0 HG3 PRO A 75 2.084 3.149 -16.524 1.00 72.11 H new ATOM 0 HD2 PRO A 75 1.913 3.895 -13.912 1.00 31.24 H new ATOM 0 HD3 PRO A 75 0.479 3.657 -14.892 1.00 31.24 H new ATOM 1055 N PRO A 76 2.313 -1.277 -13.350 1.00 71.41 N ATOM 1056 CA PRO A 76 3.330 -2.100 -12.689 1.00 72.44 C ATOM 1057 C PRO A 76 4.502 -2.424 -13.608 1.00 52.23 C ATOM 1058 O PRO A 76 4.464 -2.176 -14.813 1.00 74.00 O ATOM 1059 CB PRO A 76 2.569 -3.377 -12.322 1.00 41.53 C ATOM 1060 CG PRO A 76 1.453 -3.448 -13.305 1.00 22.42 C ATOM 1061 CD PRO A 76 1.069 -2.024 -13.600 1.00 42.33 C ATOM 0 HA PRO A 76 3.773 -1.590 -11.834 1.00 72.44 H new ATOM 0 HB2 PRO A 76 3.212 -4.254 -12.389 1.00 41.53 H new ATOM 0 HB3 PRO A 76 2.194 -3.334 -11.299 1.00 41.53 H new ATOM 0 HG2 PRO A 76 1.765 -3.964 -14.213 1.00 22.42 H new ATOM 0 HG3 PRO A 76 0.608 -4.003 -12.897 1.00 22.42 H new ATOM 0 HD2 PRO A 76 0.728 -1.904 -14.628 1.00 42.33 H new ATOM 0 HD3 PRO A 76 0.259 -1.684 -12.954 1.00 42.33 H new ATOM 1066 N PRO A 77 5.571 -2.992 -13.030 1.00 45.14 N ATOM 1067 CA PRO A 77 6.775 -3.363 -13.779 1.00 24.44 C ATOM 1068 C PRO A 77 6.533 -4.542 -14.716 1.00 23.23 C ATOM 1069 O PRO A 77 7.363 -4.848 -15.571 1.00 13.22 O ATOM 1070 CB PRO A 77 7.771 -3.748 -12.683 1.00 4.33 C ATOM 1071 CG PRO A 77 6.924 -4.166 -11.530 1.00 14.34 C ATOM 1072 CD PRO A 77 5.685 -3.317 -11.598 1.00 62.14 C ATOM 0 HA PRO A 77 7.120 -2.554 -14.422 1.00 24.44 H new ATOM 0 HB2 PRO A 77 8.424 -4.558 -13.008 1.00 4.33 H new ATOM 0 HB3 PRO A 77 8.413 -2.908 -12.418 1.00 4.33 H new ATOM 0 HG2 PRO A 77 6.675 -5.225 -11.592 1.00 14.34 H new ATOM 0 HG3 PRO A 77 7.448 -4.017 -10.586 1.00 14.34 H new ATOM 0 HD2 PRO A 77 4.809 -3.856 -11.237 1.00 62.14 H new ATOM 0 HD3 PRO A 77 5.780 -2.418 -10.988 1.00 62.14 H new TER 1077 PRO A 77