USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 747 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 61 TYR OH : rot 30:sc= 0.051 USER MOD Set 1.2: A 65 LYS NZ :NH3+ -117:sc= 0.0846 (180deg=-0.0951) USER MOD Set 2.1: A 20 HIS : no HD1:sc= -0.126 K(o=-0.75,f=-2.1) USER MOD Set 2.2: A 64 ASN : amide:sc= -0.627 X(o=-0.75,f=-0.97) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0648 (180deg=-0.442) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0449 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0268) USER MOD Single : A 15 MET CE :methyl -123:sc= -0.0428 (180deg=-0.383) USER MOD Single : A 16 LYS NZ :NH3+ -150:sc= -0.231 (180deg=-1.37!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -120:sc=-0.00101 (180deg=-0.705) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.736 K(o=-0.74,f=-1.8!) USER MOD Single : A 39 LYS NZ :NH3+ 162:sc= 0.838 (180deg=0.588) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.649 USER MOD Single : A 48 HIS : no HD1:sc= -0.0992 X(o=-0.099,f=-0.38) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.384 USER MOD Single : A 70 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.472) USER MOD Single : A 72 ASN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -166:sc= -0.0351 (180deg=-0.265) USER MOD Single : A 78 ASN : amide:sc= -0.462 X(o=-0.46,f=-0.077) USER MOD Single : A 86 ASN : amide:sc= -2.78 K(o=-2.8,f=-3.4) USER MOD Single : A 87 ASN : amide:sc= -0.577 K(o=-0.58,f=-1.1) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.086) USER MOD Single : A 93 SER OG : rot -45:sc= 0.0609 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.572 -1.379 -0.118 1.00 45.00 N ATOM 2 CA MET A 1 2.530 -0.621 -0.915 1.00 24.22 C ATOM 3 C MET A 1 3.900 -1.292 -0.901 1.00 4.14 C ATOM 4 O MET A 1 4.265 -1.963 0.066 1.00 41.24 O ATOM 5 CB MET A 1 2.645 0.811 -0.388 1.00 20.51 C ATOM 6 CG MET A 1 1.301 1.484 -0.161 1.00 23.24 C ATOM 7 SD MET A 1 1.411 3.283 -0.194 1.00 5.21 S ATOM 8 CE MET A 1 0.002 3.690 -1.221 1.00 74.21 C ATOM 0 H1 MET A 1 0.610 -1.038 -0.315 1.00 45.00 H new ATOM 0 H2 MET A 1 1.639 -2.388 -0.362 1.00 45.00 H new ATOM 0 H3 MET A 1 1.784 -1.253 0.892 1.00 45.00 H new ATOM 0 HA MET A 1 2.169 -0.594 -1.943 1.00 24.22 H new ATOM 0 HB2 MET A 1 3.200 0.801 0.550 1.00 20.51 H new ATOM 0 HB3 MET A 1 3.225 1.404 -1.095 1.00 20.51 H new ATOM 0 HG2 MET A 1 0.599 1.153 -0.926 1.00 23.24 H new ATOM 0 HG3 MET A 1 0.898 1.166 0.800 1.00 23.24 H new ATOM 0 HE1 MET A 1 -0.065 4.772 -1.335 1.00 74.21 H new ATOM 0 HE2 MET A 1 0.121 3.228 -2.201 1.00 74.21 H new ATOM 0 HE3 MET A 1 -0.909 3.318 -0.753 1.00 74.21 H new ATOM 18 N THR A 2 4.656 -1.107 -1.979 1.00 3.15 N ATOM 19 CA THR A 2 5.985 -1.695 -2.090 1.00 61.03 C ATOM 20 C THR A 2 7.058 -0.724 -1.612 1.00 43.34 C ATOM 21 O THR A 2 8.134 -1.137 -1.179 1.00 11.42 O ATOM 22 CB THR A 2 6.295 -2.112 -3.541 1.00 12.45 C ATOM 23 OG1 THR A 2 5.635 -1.229 -4.455 1.00 60.43 O ATOM 24 CG2 THR A 2 5.850 -3.543 -3.799 1.00 23.31 C ATOM 0 H THR A 2 4.370 -0.555 -2.787 1.00 3.15 H new ATOM 0 HA THR A 2 5.993 -2.581 -1.455 1.00 61.03 H new ATOM 0 HB THR A 2 7.373 -2.051 -3.692 1.00 12.45 H new ATOM 0 HG1 THR A 2 5.838 -1.499 -5.375 1.00 60.43 H new ATOM 0 HG21 THR A 2 6.079 -3.815 -4.829 1.00 23.31 H new ATOM 0 HG22 THR A 2 6.375 -4.215 -3.121 1.00 23.31 H new ATOM 0 HG23 THR A 2 4.776 -3.626 -3.632 1.00 23.31 H new ATOM 32 N ARG A 3 6.759 0.569 -1.694 1.00 32.42 N ATOM 33 CA ARG A 3 7.699 1.599 -1.270 1.00 21.13 C ATOM 34 C ARG A 3 8.188 1.337 0.152 1.00 51.02 C ATOM 35 O ARG A 3 7.491 0.715 0.954 1.00 62.33 O ATOM 36 CB ARG A 3 7.046 2.980 -1.349 1.00 75.24 C ATOM 37 CG ARG A 3 6.738 3.427 -2.769 1.00 74.11 C ATOM 38 CD ARG A 3 6.793 4.941 -2.901 1.00 21.22 C ATOM 39 NE ARG A 3 6.197 5.404 -4.151 1.00 72.30 N ATOM 40 CZ ARG A 3 6.067 6.686 -4.473 1.00 32.03 C ATOM 41 NH1 ARG A 3 6.489 7.628 -3.641 1.00 23.24 N ATOM 42 NH2 ARG A 3 5.513 7.028 -5.629 1.00 45.32 N ATOM 0 H ARG A 3 5.873 0.927 -2.050 1.00 32.42 H new ATOM 0 HA ARG A 3 8.557 1.571 -1.942 1.00 21.13 H new ATOM 0 HB2 ARG A 3 6.121 2.969 -0.772 1.00 75.24 H new ATOM 0 HB3 ARG A 3 7.705 3.712 -0.882 1.00 75.24 H new ATOM 0 HG2 ARG A 3 7.452 2.975 -3.457 1.00 74.11 H new ATOM 0 HG3 ARG A 3 5.749 3.071 -3.057 1.00 74.11 H new ATOM 0 HD2 ARG A 3 6.271 5.397 -2.060 1.00 21.22 H new ATOM 0 HD3 ARG A 3 7.830 5.272 -2.850 1.00 21.22 H new ATOM 0 HE ARG A 3 5.862 4.704 -4.813 1.00 72.30 H new ATOM 0 HH11 ARG A 3 6.915 7.369 -2.751 1.00 23.24 H new ATOM 0 HH12 ARG A 3 6.388 8.612 -3.891 1.00 23.24 H new ATOM 0 HH21 ARG A 3 5.186 6.306 -6.271 1.00 45.32 H new ATOM 0 HH22 ARG A 3 5.414 8.013 -5.875 1.00 45.32 H new ATOM 56 N ASP A 4 9.389 1.815 0.456 1.00 2.42 N ATOM 57 CA ASP A 4 9.971 1.634 1.781 1.00 64.31 C ATOM 58 C ASP A 4 9.600 2.792 2.701 1.00 12.13 C ATOM 59 O ASP A 4 9.194 3.859 2.241 1.00 50.35 O ATOM 60 CB ASP A 4 11.493 1.513 1.681 1.00 52.54 C ATOM 61 CG ASP A 4 12.135 2.758 1.100 1.00 71.15 C ATOM 62 OD1 ASP A 4 12.187 2.873 -0.143 1.00 1.24 O ATOM 63 OD2 ASP A 4 12.586 3.616 1.887 1.00 50.10 O ATOM 0 H ASP A 4 9.979 2.331 -0.197 1.00 2.42 H new ATOM 0 HA ASP A 4 9.568 0.714 2.205 1.00 64.31 H new ATOM 0 HB2 ASP A 4 11.906 1.323 2.672 1.00 52.54 H new ATOM 0 HB3 ASP A 4 11.746 0.653 1.060 1.00 52.54 H new ATOM 68 N PHE A 5 9.740 2.574 4.005 1.00 43.14 N ATOM 69 CA PHE A 5 9.417 3.599 4.990 1.00 5.04 C ATOM 70 C PHE A 5 10.685 4.153 5.635 1.00 62.54 C ATOM 71 O PHE A 5 11.795 3.720 5.321 1.00 14.24 O ATOM 72 CB PHE A 5 8.492 3.028 6.067 1.00 63.10 C ATOM 73 CG PHE A 5 7.034 3.143 5.727 1.00 71.03 C ATOM 74 CD1 PHE A 5 6.344 4.320 5.967 1.00 13.13 C ATOM 75 CD2 PHE A 5 6.353 2.074 5.166 1.00 44.41 C ATOM 76 CE1 PHE A 5 5.002 4.428 5.656 1.00 55.22 C ATOM 77 CE2 PHE A 5 5.011 2.177 4.852 1.00 62.21 C ATOM 78 CZ PHE A 5 4.335 3.356 5.096 1.00 33.33 C ATOM 0 H PHE A 5 10.075 1.697 4.403 1.00 43.14 H new ATOM 0 HA PHE A 5 8.906 4.413 4.476 1.00 5.04 H new ATOM 0 HB2 PHE A 5 8.738 1.978 6.227 1.00 63.10 H new ATOM 0 HB3 PHE A 5 8.680 3.546 7.008 1.00 63.10 H new ATOM 0 HD1 PHE A 5 6.861 5.163 6.402 1.00 13.13 H new ATOM 0 HD2 PHE A 5 6.877 1.150 4.972 1.00 44.41 H new ATOM 0 HE1 PHE A 5 4.475 5.350 5.851 1.00 55.22 H new ATOM 0 HE2 PHE A 5 4.492 1.336 4.416 1.00 62.21 H new ATOM 0 HZ PHE A 5 3.287 3.440 4.849 1.00 33.33 H new ATOM 88 N LYS A 6 10.512 5.113 6.537 1.00 64.43 N ATOM 89 CA LYS A 6 11.640 5.727 7.227 1.00 25.40 C ATOM 90 C LYS A 6 11.668 5.316 8.696 1.00 40.51 C ATOM 91 O LYS A 6 10.668 4.871 9.260 1.00 64.43 O ATOM 92 CB LYS A 6 11.566 7.251 7.113 1.00 21.14 C ATOM 93 CG LYS A 6 12.267 7.804 5.885 1.00 42.22 C ATOM 94 CD LYS A 6 11.661 9.126 5.445 1.00 50.31 C ATOM 95 CE LYS A 6 10.315 8.924 4.765 1.00 24.32 C ATOM 96 NZ LYS A 6 9.795 10.189 4.178 1.00 52.13 N ATOM 0 H LYS A 6 9.601 5.483 6.807 1.00 64.43 H new ATOM 0 HA LYS A 6 12.558 5.378 6.753 1.00 25.40 H new ATOM 0 HB2 LYS A 6 10.519 7.555 7.091 1.00 21.14 H new ATOM 0 HB3 LYS A 6 12.008 7.695 8.005 1.00 21.14 H new ATOM 0 HG2 LYS A 6 13.326 7.942 6.101 1.00 42.22 H new ATOM 0 HG3 LYS A 6 12.199 7.083 5.071 1.00 42.22 H new ATOM 0 HD2 LYS A 6 11.538 9.777 6.311 1.00 50.31 H new ATOM 0 HD3 LYS A 6 12.343 9.630 4.761 1.00 50.31 H new ATOM 0 HE2 LYS A 6 10.413 8.173 3.981 1.00 24.32 H new ATOM 0 HE3 LYS A 6 9.597 8.537 5.488 1.00 24.32 H new ATOM 0 HZ1 LYS A 6 8.877 10.009 3.724 1.00 52.13 H new ATOM 0 HZ2 LYS A 6 9.677 10.898 4.930 1.00 52.13 H new ATOM 0 HZ3 LYS A 6 10.468 10.545 3.469 1.00 52.13 H new ATOM 110 N PRO A 7 12.838 5.471 9.333 1.00 44.15 N ATOM 111 CA PRO A 7 13.023 5.125 10.745 1.00 62.51 C ATOM 112 C PRO A 7 12.279 6.074 11.677 1.00 12.30 C ATOM 113 O PRO A 7 12.560 7.272 11.713 1.00 75.44 O ATOM 114 CB PRO A 7 14.535 5.253 10.947 1.00 61.13 C ATOM 115 CG PRO A 7 14.976 6.220 9.903 1.00 11.41 C ATOM 116 CD PRO A 7 14.071 5.997 8.723 1.00 64.22 C ATOM 0 HA PRO A 7 12.631 4.135 10.976 1.00 62.51 H new ATOM 0 HB2 PRO A 7 14.771 5.615 11.947 1.00 61.13 H new ATOM 0 HB3 PRO A 7 15.033 4.290 10.831 1.00 61.13 H new ATOM 0 HG2 PRO A 7 14.901 7.246 10.264 1.00 11.41 H new ATOM 0 HG3 PRO A 7 16.019 6.053 9.632 1.00 11.41 H new ATOM 0 HD2 PRO A 7 13.886 6.923 8.178 1.00 64.22 H new ATOM 0 HD3 PRO A 7 14.502 5.290 8.014 1.00 64.22 H new ATOM 124 N GLY A 8 11.328 5.532 12.432 1.00 71.44 N ATOM 125 CA GLY A 8 10.558 6.345 13.354 1.00 2.52 C ATOM 126 C GLY A 8 9.274 6.864 12.737 1.00 4.34 C ATOM 127 O GLY A 8 8.763 7.910 13.139 1.00 32.53 O ATOM 0 H GLY A 8 11.077 4.543 12.421 1.00 71.44 H new ATOM 0 HA2 GLY A 8 10.320 5.757 14.240 1.00 2.52 H new ATOM 0 HA3 GLY A 8 11.165 7.188 13.685 1.00 2.52 H new ATOM 131 N ASP A 9 8.753 6.134 11.758 1.00 63.22 N ATOM 132 CA ASP A 9 7.521 6.526 11.084 1.00 43.55 C ATOM 133 C ASP A 9 6.307 5.896 11.759 1.00 65.22 C ATOM 134 O ASP A 9 6.348 4.737 12.176 1.00 54.51 O ATOM 135 CB ASP A 9 7.569 6.120 9.610 1.00 64.31 C ATOM 136 CG ASP A 9 8.047 7.245 8.714 1.00 43.31 C ATOM 137 OD1 ASP A 9 8.556 8.253 9.248 1.00 70.12 O ATOM 138 OD2 ASP A 9 7.912 7.119 7.479 1.00 50.14 O ATOM 0 H ASP A 9 9.165 5.267 11.413 1.00 63.22 H new ATOM 0 HA ASP A 9 7.429 7.610 11.151 1.00 43.55 H new ATOM 0 HB2 ASP A 9 8.231 5.261 9.494 1.00 64.31 H new ATOM 0 HB3 ASP A 9 6.576 5.803 9.291 1.00 64.31 H new ATOM 143 N LEU A 10 5.230 6.665 11.864 1.00 14.03 N ATOM 144 CA LEU A 10 4.003 6.182 12.490 1.00 4.33 C ATOM 145 C LEU A 10 3.171 5.372 11.503 1.00 75.45 C ATOM 146 O LEU A 10 2.547 5.928 10.598 1.00 0.12 O ATOM 147 CB LEU A 10 3.182 7.358 13.023 1.00 63.12 C ATOM 148 CG LEU A 10 3.857 8.219 14.091 1.00 25.10 C ATOM 149 CD1 LEU A 10 4.551 7.343 15.123 1.00 63.04 C ATOM 150 CD2 LEU A 10 4.849 9.181 13.453 1.00 54.15 C ATOM 0 H LEU A 10 5.180 7.625 11.524 1.00 14.03 H new ATOM 0 HA LEU A 10 4.279 5.533 13.321 1.00 4.33 H new ATOM 0 HB2 LEU A 10 2.916 7.999 12.183 1.00 63.12 H new ATOM 0 HB3 LEU A 10 2.251 6.968 13.434 1.00 63.12 H new ATOM 0 HG LEU A 10 3.089 8.803 14.597 1.00 25.10 H new ATOM 0 HD11 LEU A 10 5.026 7.973 15.875 1.00 63.04 H new ATOM 0 HD12 LEU A 10 3.817 6.695 15.603 1.00 63.04 H new ATOM 0 HD13 LEU A 10 5.308 6.732 14.631 1.00 63.04 H new ATOM 0 HD21 LEU A 10 5.320 9.786 14.228 1.00 54.15 H new ATOM 0 HD22 LEU A 10 5.613 8.615 12.920 1.00 54.15 H new ATOM 0 HD23 LEU A 10 4.326 9.832 12.753 1.00 54.15 H new ATOM 162 N ILE A 11 3.163 4.055 11.683 1.00 5.33 N ATOM 163 CA ILE A 11 2.404 3.169 10.810 1.00 23.20 C ATOM 164 C ILE A 11 1.821 1.996 11.590 1.00 14.04 C ATOM 165 O ILE A 11 2.441 1.487 12.524 1.00 3.10 O ATOM 166 CB ILE A 11 3.277 2.625 9.664 1.00 63.41 C ATOM 167 CG1 ILE A 11 4.492 1.883 10.227 1.00 52.25 C ATOM 168 CG2 ILE A 11 3.718 3.758 8.750 1.00 64.01 C ATOM 169 CD1 ILE A 11 4.240 0.413 10.477 1.00 73.13 C ATOM 0 H ILE A 11 3.674 3.578 12.426 1.00 5.33 H new ATOM 0 HA ILE A 11 1.592 3.761 10.388 1.00 23.20 H new ATOM 0 HB ILE A 11 2.685 1.922 9.078 1.00 63.41 H new ATOM 0 HG12 ILE A 11 5.325 1.987 9.532 1.00 52.25 H new ATOM 0 HG13 ILE A 11 4.795 2.355 11.161 1.00 52.25 H new ATOM 0 HG21 ILE A 11 4.334 3.357 7.945 1.00 64.01 H new ATOM 0 HG22 ILE A 11 2.840 4.246 8.326 1.00 64.01 H new ATOM 0 HG23 ILE A 11 4.296 4.483 9.323 1.00 64.01 H new ATOM 0 HD11 ILE A 11 5.144 -0.048 10.875 1.00 73.13 H new ATOM 0 HD12 ILE A 11 3.428 0.300 11.195 1.00 73.13 H new ATOM 0 HD13 ILE A 11 3.966 -0.074 9.541 1.00 73.13 H new ATOM 181 N PHE A 12 0.624 1.570 11.201 1.00 54.24 N ATOM 182 CA PHE A 12 -0.045 0.456 11.863 1.00 45.01 C ATOM 183 C PHE A 12 0.478 -0.879 11.341 1.00 74.32 C ATOM 184 O PHE A 12 0.276 -1.225 10.177 1.00 15.31 O ATOM 185 CB PHE A 12 -1.557 0.543 11.652 1.00 75.42 C ATOM 186 CG PHE A 12 -2.272 1.297 12.736 1.00 20.15 C ATOM 187 CD1 PHE A 12 -1.895 2.589 13.064 1.00 4.20 C ATOM 188 CD2 PHE A 12 -3.321 0.713 13.429 1.00 43.41 C ATOM 189 CE1 PHE A 12 -2.550 3.286 14.061 1.00 12.34 C ATOM 190 CE2 PHE A 12 -3.980 1.406 14.427 1.00 72.41 C ATOM 191 CZ PHE A 12 -3.594 2.693 14.744 1.00 3.14 C ATOM 0 H PHE A 12 0.097 1.980 10.430 1.00 54.24 H new ATOM 0 HA PHE A 12 0.169 0.518 12.930 1.00 45.01 H new ATOM 0 HB2 PHE A 12 -1.755 1.025 10.694 1.00 75.42 H new ATOM 0 HB3 PHE A 12 -1.966 -0.466 11.592 1.00 75.42 H new ATOM 0 HD1 PHE A 12 -1.079 3.057 12.534 1.00 4.20 H new ATOM 0 HD2 PHE A 12 -3.627 -0.294 13.187 1.00 43.41 H new ATOM 0 HE1 PHE A 12 -2.246 4.293 14.306 1.00 12.34 H new ATOM 0 HE2 PHE A 12 -4.797 0.941 14.959 1.00 72.41 H new ATOM 0 HZ PHE A 12 -4.107 3.235 15.524 1.00 3.14 H new ATOM 201 N ALA A 13 1.151 -1.625 12.211 1.00 72.45 N ATOM 202 CA ALA A 13 1.701 -2.923 11.839 1.00 50.02 C ATOM 203 C ALA A 13 0.624 -4.003 11.861 1.00 3.34 C ATOM 204 O ALA A 13 -0.069 -4.182 12.863 1.00 54.33 O ATOM 205 CB ALA A 13 2.846 -3.297 12.769 1.00 53.13 C ATOM 0 H ALA A 13 1.328 -1.353 13.178 1.00 72.45 H new ATOM 0 HA ALA A 13 2.083 -2.850 10.821 1.00 50.02 H new ATOM 0 HB1 ALA A 13 3.247 -4.268 12.480 1.00 53.13 H new ATOM 0 HB2 ALA A 13 3.632 -2.545 12.700 1.00 53.13 H new ATOM 0 HB3 ALA A 13 2.480 -3.346 13.795 1.00 53.13 H new ATOM 211 N LYS A 14 0.489 -4.720 10.751 1.00 21.13 N ATOM 212 CA LYS A 14 -0.503 -5.783 10.643 1.00 62.31 C ATOM 213 C LYS A 14 0.166 -7.154 10.653 1.00 72.24 C ATOM 214 O LYS A 14 0.774 -7.565 9.665 1.00 73.42 O ATOM 215 CB LYS A 14 -1.324 -5.614 9.363 1.00 54.21 C ATOM 216 CG LYS A 14 -2.210 -6.807 9.046 1.00 2.41 C ATOM 217 CD LYS A 14 -3.144 -7.130 10.200 1.00 10.31 C ATOM 218 CE LYS A 14 -4.411 -7.819 9.716 1.00 44.43 C ATOM 219 NZ LYS A 14 -4.116 -9.118 9.050 1.00 4.24 N ATOM 0 H LYS A 14 1.054 -4.584 9.913 1.00 21.13 H new ATOM 0 HA LYS A 14 -1.167 -5.716 11.505 1.00 62.31 H new ATOM 0 HB2 LYS A 14 -1.947 -4.724 9.456 1.00 54.21 H new ATOM 0 HB3 LYS A 14 -0.646 -5.443 8.527 1.00 54.21 H new ATOM 0 HG2 LYS A 14 -2.795 -6.599 8.150 1.00 2.41 H new ATOM 0 HG3 LYS A 14 -1.588 -7.675 8.826 1.00 2.41 H new ATOM 0 HD2 LYS A 14 -2.631 -7.772 10.916 1.00 10.31 H new ATOM 0 HD3 LYS A 14 -3.406 -6.212 10.725 1.00 10.31 H new ATOM 0 HE2 LYS A 14 -5.078 -7.988 10.561 1.00 44.43 H new ATOM 0 HE3 LYS A 14 -4.937 -7.165 9.020 1.00 44.43 H new ATOM 0 HZ1 LYS A 14 -5.008 -9.588 8.795 1.00 4.24 H new ATOM 0 HZ2 LYS A 14 -3.556 -8.948 8.190 1.00 4.24 H new ATOM 0 HZ3 LYS A 14 -3.577 -9.726 9.699 1.00 4.24 H new ATOM 233 N MET A 15 0.048 -7.857 11.774 1.00 33.23 N ATOM 234 CA MET A 15 0.639 -9.183 11.910 1.00 31.33 C ATOM 235 C MET A 15 -0.345 -10.264 11.474 1.00 21.42 C ATOM 236 O MET A 15 -1.509 -10.258 11.875 1.00 0.41 O ATOM 237 CB MET A 15 1.073 -9.426 13.357 1.00 14.23 C ATOM 238 CG MET A 15 2.547 -9.150 13.604 1.00 30.31 C ATOM 239 SD MET A 15 3.188 -10.035 15.038 1.00 3.24 S ATOM 240 CE MET A 15 3.219 -11.714 14.415 1.00 0.30 C ATOM 0 H MET A 15 -0.451 -7.531 12.601 1.00 33.23 H new ATOM 0 HA MET A 15 1.515 -9.231 11.263 1.00 31.33 H new ATOM 0 HB2 MET A 15 0.478 -8.795 14.017 1.00 14.23 H new ATOM 0 HB3 MET A 15 0.856 -10.460 13.624 1.00 14.23 H new ATOM 0 HG2 MET A 15 3.119 -9.434 12.721 1.00 30.31 H new ATOM 0 HG3 MET A 15 2.693 -8.079 13.747 1.00 30.31 H new ATOM 0 HE1 MET A 15 2.622 -12.354 15.064 1.00 0.30 H new ATOM 0 HE2 MET A 15 2.807 -11.735 13.406 1.00 0.30 H new ATOM 0 HE3 MET A 15 4.247 -12.076 14.395 1.00 0.30 H new ATOM 250 N LYS A 16 0.130 -11.193 10.650 1.00 11.44 N ATOM 251 CA LYS A 16 -0.707 -12.281 10.160 1.00 61.30 C ATOM 252 C LYS A 16 -1.402 -12.996 11.314 1.00 11.35 C ATOM 253 O LYS A 16 -0.761 -13.683 12.109 1.00 42.55 O ATOM 254 CB LYS A 16 0.135 -13.279 9.362 1.00 61.24 C ATOM 255 CG LYS A 16 0.167 -12.992 7.870 1.00 31.25 C ATOM 256 CD LYS A 16 1.268 -12.007 7.516 1.00 51.04 C ATOM 257 CE LYS A 16 2.603 -12.709 7.322 1.00 22.21 C ATOM 258 NZ LYS A 16 3.386 -12.771 8.588 1.00 74.44 N ATOM 0 H LYS A 16 1.091 -11.213 10.308 1.00 11.44 H new ATOM 0 HA LYS A 16 -1.469 -11.854 9.509 1.00 61.30 H new ATOM 0 HB2 LYS A 16 1.155 -13.271 9.747 1.00 61.24 H new ATOM 0 HB3 LYS A 16 -0.258 -14.283 9.522 1.00 61.24 H new ATOM 0 HG2 LYS A 16 0.320 -13.922 7.323 1.00 31.25 H new ATOM 0 HG3 LYS A 16 -0.796 -12.591 7.555 1.00 31.25 H new ATOM 0 HD2 LYS A 16 1.001 -11.473 6.604 1.00 51.04 H new ATOM 0 HD3 LYS A 16 1.359 -11.262 8.306 1.00 51.04 H new ATOM 0 HE2 LYS A 16 2.432 -13.720 6.951 1.00 22.21 H new ATOM 0 HE3 LYS A 16 3.182 -12.185 6.562 1.00 22.21 H new ATOM 0 HZ1 LYS A 16 4.402 -12.764 8.368 1.00 74.44 H new ATOM 0 HZ2 LYS A 16 3.154 -11.948 9.180 1.00 74.44 H new ATOM 0 HZ3 LYS A 16 3.149 -13.644 9.101 1.00 74.44 H new ATOM 272 N GLY A 17 -2.719 -12.830 11.401 1.00 44.14 N ATOM 273 CA GLY A 17 -3.479 -13.466 12.460 1.00 23.44 C ATOM 274 C GLY A 17 -3.821 -12.508 13.584 1.00 24.53 C ATOM 275 O GLY A 17 -4.270 -12.927 14.651 1.00 25.55 O ATOM 0 H GLY A 17 -3.272 -12.266 10.756 1.00 44.14 H new ATOM 0 HA2 GLY A 17 -4.399 -13.878 12.046 1.00 23.44 H new ATOM 0 HA3 GLY A 17 -2.907 -14.303 12.861 1.00 23.44 H new ATOM 279 N TYR A 18 -3.607 -11.219 13.346 1.00 21.31 N ATOM 280 CA TYR A 18 -3.892 -10.199 14.348 1.00 24.44 C ATOM 281 C TYR A 18 -4.347 -8.901 13.690 1.00 12.30 C ATOM 282 O TYR A 18 -3.998 -8.597 12.549 1.00 73.20 O ATOM 283 CB TYR A 18 -2.654 -9.941 15.209 1.00 0.13 C ATOM 284 CG TYR A 18 -1.963 -11.204 15.670 1.00 25.13 C ATOM 285 CD1 TYR A 18 -1.048 -11.857 14.853 1.00 41.43 C ATOM 286 CD2 TYR A 18 -2.224 -11.746 16.923 1.00 54.43 C ATOM 287 CE1 TYR A 18 -0.414 -13.011 15.269 1.00 32.33 C ATOM 288 CE2 TYR A 18 -1.594 -12.899 17.348 1.00 13.11 C ATOM 289 CZ TYR A 18 -0.690 -13.528 16.518 1.00 73.21 C ATOM 290 OH TYR A 18 -0.062 -14.678 16.937 1.00 24.25 O ATOM 0 H TYR A 18 -3.237 -10.856 12.468 1.00 21.31 H new ATOM 0 HA TYR A 18 -4.699 -10.565 14.983 1.00 24.44 H new ATOM 0 HB2 TYR A 18 -1.947 -9.336 14.641 1.00 0.13 H new ATOM 0 HB3 TYR A 18 -2.944 -9.356 16.082 1.00 0.13 H new ATOM 0 HD1 TYR A 18 -0.829 -11.455 13.875 1.00 41.43 H new ATOM 0 HD2 TYR A 18 -2.932 -11.257 17.576 1.00 54.43 H new ATOM 0 HE1 TYR A 18 0.294 -13.506 14.620 1.00 32.33 H new ATOM 0 HE2 TYR A 18 -1.808 -13.306 18.325 1.00 13.11 H new ATOM 0 HH TYR A 18 -0.367 -14.907 17.840 1.00 24.25 H new ATOM 300 N PRO A 19 -5.146 -8.114 14.426 1.00 0.13 N ATOM 301 CA PRO A 19 -5.666 -6.834 13.936 1.00 35.21 C ATOM 302 C PRO A 19 -4.576 -5.775 13.809 1.00 35.44 C ATOM 303 O PRO A 19 -3.432 -5.997 14.208 1.00 55.12 O ATOM 304 CB PRO A 19 -6.682 -6.430 15.008 1.00 71.51 C ATOM 305 CG PRO A 19 -6.220 -7.119 16.246 1.00 52.42 C ATOM 306 CD PRO A 19 -5.602 -8.413 15.794 1.00 11.21 C ATOM 0 HA PRO A 19 -6.092 -6.923 12.937 1.00 35.21 H new ATOM 0 HB2 PRO A 19 -6.707 -5.349 15.142 1.00 71.51 H new ATOM 0 HB3 PRO A 19 -7.690 -6.741 14.735 1.00 71.51 H new ATOM 0 HG2 PRO A 19 -5.496 -6.508 16.785 1.00 52.42 H new ATOM 0 HG3 PRO A 19 -7.053 -7.301 16.925 1.00 52.42 H new ATOM 0 HD2 PRO A 19 -4.774 -8.709 16.438 1.00 11.21 H new ATOM 0 HD3 PRO A 19 -6.324 -9.229 15.807 1.00 11.21 H new ATOM 314 N HIS A 20 -4.938 -4.624 13.253 1.00 53.23 N ATOM 315 CA HIS A 20 -3.990 -3.530 13.075 1.00 53.43 C ATOM 316 C HIS A 20 -3.620 -2.908 14.418 1.00 64.11 C ATOM 317 O HIS A 20 -4.448 -2.828 15.325 1.00 24.42 O ATOM 318 CB HIS A 20 -4.578 -2.463 12.151 1.00 54.42 C ATOM 319 CG HIS A 20 -5.212 -3.023 10.915 1.00 21.50 C ATOM 320 ND1 HIS A 20 -4.589 -3.948 10.104 1.00 73.44 N ATOM 321 CD2 HIS A 20 -6.421 -2.787 10.354 1.00 2.53 C ATOM 322 CE1 HIS A 20 -5.387 -4.255 9.096 1.00 12.32 C ATOM 323 NE2 HIS A 20 -6.505 -3.564 9.225 1.00 13.42 N ATOM 0 H HIS A 20 -5.880 -4.424 12.918 1.00 53.23 H new ATOM 0 HA HIS A 20 -3.086 -3.936 12.621 1.00 53.43 H new ATOM 0 HB2 HIS A 20 -5.322 -1.887 12.702 1.00 54.42 H new ATOM 0 HB3 HIS A 20 -3.788 -1.770 11.862 1.00 54.42 H new ATOM 0 HD2 HIS A 20 -7.179 -2.113 10.725 1.00 2.53 H new ATOM 0 HE1 HIS A 20 -5.163 -4.952 8.302 1.00 12.32 H new ATOM 0 HE2 HIS A 20 -7.302 -3.601 8.589 1.00 13.42 H new ATOM 331 N TRP A 21 -2.371 -2.470 14.537 1.00 34.50 N ATOM 332 CA TRP A 21 -1.891 -1.857 15.770 1.00 12.11 C ATOM 333 C TRP A 21 -0.833 -0.799 15.476 1.00 71.43 C ATOM 334 O TRP A 21 0.039 -0.980 14.625 1.00 11.44 O ATOM 335 CB TRP A 21 -1.318 -2.923 16.705 1.00 72.20 C ATOM 336 CG TRP A 21 -0.712 -2.356 17.953 1.00 53.42 C ATOM 337 CD1 TRP A 21 0.534 -1.812 18.085 1.00 34.21 C ATOM 338 CD2 TRP A 21 -1.326 -2.277 19.244 1.00 25.42 C ATOM 339 NE1 TRP A 21 0.732 -1.401 19.381 1.00 11.02 N ATOM 340 CE2 TRP A 21 -0.394 -1.674 20.112 1.00 60.31 C ATOM 341 CE3 TRP A 21 -2.571 -2.656 19.752 1.00 73.13 C ATOM 342 CZ2 TRP A 21 -0.671 -1.444 21.457 1.00 43.12 C ATOM 343 CZ3 TRP A 21 -2.844 -2.427 21.087 1.00 53.12 C ATOM 344 CH2 TRP A 21 -1.898 -1.825 21.927 1.00 52.22 C ATOM 0 H TRP A 21 -1.673 -2.528 13.795 1.00 34.50 H new ATOM 0 HA TRP A 21 -2.737 -1.373 16.258 1.00 12.11 H new ATOM 0 HB2 TRP A 21 -2.110 -3.620 16.979 1.00 72.20 H new ATOM 0 HB3 TRP A 21 -0.561 -3.496 16.170 1.00 72.20 H new ATOM 0 HD1 TRP A 21 1.257 -1.719 17.288 1.00 34.21 H new ATOM 0 HE1 TRP A 21 1.580 -0.963 19.741 1.00 11.02 H new ATOM 0 HE3 TRP A 21 -3.307 -3.120 19.112 1.00 73.13 H new ATOM 0 HZ2 TRP A 21 0.057 -0.981 22.106 1.00 43.12 H new ATOM 0 HZ3 TRP A 21 -3.803 -2.717 21.490 1.00 53.12 H new ATOM 0 HH2 TRP A 21 -2.142 -1.658 22.966 1.00 52.22 H new ATOM 355 N PRO A 22 -0.909 0.331 16.194 1.00 65.12 N ATOM 356 CA PRO A 22 0.036 1.439 16.027 1.00 3.31 C ATOM 357 C PRO A 22 1.431 1.093 16.536 1.00 4.30 C ATOM 358 O PRO A 22 1.628 0.865 17.729 1.00 21.31 O ATOM 359 CB PRO A 22 -0.578 2.559 16.871 1.00 52.14 C ATOM 360 CG PRO A 22 -1.400 1.855 17.894 1.00 31.23 C ATOM 361 CD PRO A 22 -1.922 0.614 17.224 1.00 23.23 C ATOM 0 HA PRO A 22 0.173 1.703 14.978 1.00 3.31 H new ATOM 0 HB2 PRO A 22 0.194 3.172 17.337 1.00 52.14 H new ATOM 0 HB3 PRO A 22 -1.189 3.224 16.261 1.00 52.14 H new ATOM 0 HG2 PRO A 22 -0.802 1.603 18.770 1.00 31.23 H new ATOM 0 HG3 PRO A 22 -2.219 2.486 18.238 1.00 31.23 H new ATOM 0 HD2 PRO A 22 -2.020 -0.212 17.928 1.00 23.23 H new ATOM 0 HD3 PRO A 22 -2.906 0.778 16.785 1.00 23.23 H new ATOM 369 N ALA A 23 2.397 1.057 15.624 1.00 40.04 N ATOM 370 CA ALA A 23 3.774 0.741 15.981 1.00 4.41 C ATOM 371 C ALA A 23 4.743 1.756 15.383 1.00 61.21 C ATOM 372 O ALA A 23 4.327 2.763 14.811 1.00 53.32 O ATOM 373 CB ALA A 23 4.130 -0.665 15.522 1.00 32.01 C ATOM 0 H ALA A 23 2.251 1.243 14.632 1.00 40.04 H new ATOM 0 HA ALA A 23 3.862 0.790 17.066 1.00 4.41 H new ATOM 0 HB1 ALA A 23 5.162 -0.887 15.796 1.00 32.01 H new ATOM 0 HB2 ALA A 23 3.465 -1.383 16.001 1.00 32.01 H new ATOM 0 HB3 ALA A 23 4.019 -0.734 14.440 1.00 32.01 H new ATOM 379 N ARG A 24 6.037 1.484 15.519 1.00 33.44 N ATOM 380 CA ARG A 24 7.064 2.374 14.994 1.00 45.12 C ATOM 381 C ARG A 24 8.110 1.592 14.205 1.00 62.52 C ATOM 382 O ARG A 24 8.474 0.475 14.574 1.00 62.13 O ATOM 383 CB ARG A 24 7.738 3.139 16.134 1.00 1.43 C ATOM 384 CG ARG A 24 9.002 3.871 15.714 1.00 64.33 C ATOM 385 CD ARG A 24 10.247 3.050 16.015 1.00 51.32 C ATOM 386 NE ARG A 24 11.457 3.868 16.005 1.00 61.32 N ATOM 387 CZ ARG A 24 12.652 3.416 16.370 1.00 51.41 C ATOM 388 NH1 ARG A 24 12.796 2.161 16.771 1.00 34.13 N ATOM 389 NH2 ARG A 24 13.706 4.221 16.333 1.00 1.34 N ATOM 0 H ARG A 24 6.398 0.654 15.989 1.00 33.44 H new ATOM 0 HA ARG A 24 6.583 3.085 14.322 1.00 45.12 H new ATOM 0 HB2 ARG A 24 7.031 3.860 16.544 1.00 1.43 H new ATOM 0 HB3 ARG A 24 7.982 2.440 16.934 1.00 1.43 H new ATOM 0 HG2 ARG A 24 8.959 4.091 14.647 1.00 64.33 H new ATOM 0 HG3 ARG A 24 9.060 4.827 16.235 1.00 64.33 H new ATOM 0 HD2 ARG A 24 10.140 2.573 16.989 1.00 51.32 H new ATOM 0 HD3 ARG A 24 10.342 2.252 15.278 1.00 51.32 H new ATOM 0 HE ARG A 24 11.381 4.839 15.701 1.00 61.32 H new ATOM 0 HH11 ARG A 24 11.988 1.539 16.800 1.00 34.13 H new ATOM 0 HH12 ARG A 24 13.715 1.817 17.051 1.00 34.13 H new ATOM 0 HH21 ARG A 24 13.599 5.187 16.024 1.00 1.34 H new ATOM 0 HH22 ARG A 24 14.623 3.874 16.613 1.00 1.34 H new ATOM 403 N VAL A 25 8.589 2.185 13.116 1.00 2.32 N ATOM 404 CA VAL A 25 9.593 1.545 12.275 1.00 22.21 C ATOM 405 C VAL A 25 10.999 1.797 12.808 1.00 10.31 C ATOM 406 O VAL A 25 11.317 2.901 13.250 1.00 44.52 O ATOM 407 CB VAL A 25 9.510 2.046 10.821 1.00 73.20 C ATOM 408 CG1 VAL A 25 10.580 1.385 9.966 1.00 71.41 C ATOM 409 CG2 VAL A 25 8.124 1.789 10.248 1.00 10.12 C ATOM 0 H VAL A 25 8.297 3.108 12.796 1.00 2.32 H new ATOM 0 HA VAL A 25 9.386 0.475 12.295 1.00 22.21 H new ATOM 0 HB VAL A 25 9.688 3.121 10.815 1.00 73.20 H new ATOM 0 HG11 VAL A 25 10.505 1.752 8.942 1.00 71.41 H new ATOM 0 HG12 VAL A 25 11.565 1.625 10.366 1.00 71.41 H new ATOM 0 HG13 VAL A 25 10.437 0.304 9.976 1.00 71.41 H new ATOM 0 HG21 VAL A 25 8.083 2.149 9.220 1.00 10.12 H new ATOM 0 HG22 VAL A 25 7.915 0.719 10.266 1.00 10.12 H new ATOM 0 HG23 VAL A 25 7.380 2.314 10.847 1.00 10.12 H new ATOM 419 N ASP A 26 11.837 0.767 12.763 1.00 15.22 N ATOM 420 CA ASP A 26 13.210 0.877 13.240 1.00 2.23 C ATOM 421 C ASP A 26 14.184 0.994 12.072 1.00 74.14 C ATOM 422 O ASP A 26 13.812 0.779 10.919 1.00 53.15 O ATOM 423 CB ASP A 26 13.572 -0.333 14.102 1.00 33.34 C ATOM 424 CG ASP A 26 14.432 0.040 15.293 1.00 2.44 C ATOM 425 OD1 ASP A 26 15.025 1.139 15.275 1.00 14.32 O ATOM 426 OD2 ASP A 26 14.514 -0.767 16.243 1.00 12.43 O ATOM 0 H ASP A 26 11.589 -0.154 12.401 1.00 15.22 H new ATOM 0 HA ASP A 26 13.286 1.780 13.845 1.00 2.23 H new ATOM 0 HB2 ASP A 26 12.658 -0.811 14.454 1.00 33.34 H new ATOM 0 HB3 ASP A 26 14.100 -1.065 13.491 1.00 33.34 H new ATOM 431 N GLU A 27 15.431 1.337 12.379 1.00 72.43 N ATOM 432 CA GLU A 27 16.457 1.484 11.353 1.00 75.33 C ATOM 433 C GLU A 27 17.061 0.130 10.990 1.00 40.32 C ATOM 434 O GLU A 27 17.129 -0.775 11.821 1.00 35.12 O ATOM 435 CB GLU A 27 17.556 2.434 11.832 1.00 61.32 C ATOM 436 CG GLU A 27 18.752 2.501 10.897 1.00 24.34 C ATOM 437 CD GLU A 27 19.412 3.866 10.891 1.00 54.33 C ATOM 438 OE1 GLU A 27 19.008 4.717 10.070 1.00 31.43 O ATOM 439 OE2 GLU A 27 20.332 4.084 11.707 1.00 54.22 O ATOM 0 H GLU A 27 15.755 1.518 13.329 1.00 72.43 H new ATOM 0 HA GLU A 27 15.988 1.903 10.463 1.00 75.33 H new ATOM 0 HB2 GLU A 27 17.137 3.434 11.944 1.00 61.32 H new ATOM 0 HB3 GLU A 27 17.894 2.117 12.819 1.00 61.32 H new ATOM 0 HG2 GLU A 27 19.483 1.749 11.194 1.00 24.34 H new ATOM 0 HG3 GLU A 27 18.432 2.252 9.885 1.00 24.34 H new ATOM 446 N VAL A 28 17.499 0.000 9.742 1.00 42.15 N ATOM 447 CA VAL A 28 18.099 -1.242 9.267 1.00 14.44 C ATOM 448 C VAL A 28 19.347 -1.591 10.070 1.00 40.43 C ATOM 449 O VAL A 28 20.003 -0.726 10.652 1.00 33.41 O ATOM 450 CB VAL A 28 18.469 -1.152 7.775 1.00 1.21 C ATOM 451 CG1 VAL A 28 17.220 -1.221 6.909 1.00 23.25 C ATOM 452 CG2 VAL A 28 19.251 0.123 7.496 1.00 11.14 C ATOM 0 H VAL A 28 17.450 0.739 9.041 1.00 42.15 H new ATOM 0 HA VAL A 28 17.354 -2.026 9.401 1.00 14.44 H new ATOM 0 HB VAL A 28 19.103 -2.003 7.524 1.00 1.21 H new ATOM 0 HG11 VAL A 28 17.502 -1.156 5.858 1.00 23.25 H new ATOM 0 HG12 VAL A 28 16.704 -2.164 7.089 1.00 23.25 H new ATOM 0 HG13 VAL A 28 16.558 -0.392 7.159 1.00 23.25 H new ATOM 0 HG21 VAL A 28 19.504 0.170 6.437 1.00 11.14 H new ATOM 0 HG22 VAL A 28 18.644 0.988 7.763 1.00 11.14 H new ATOM 0 HG23 VAL A 28 20.166 0.126 8.088 1.00 11.14 H new ATOM 462 N PRO A 29 19.686 -2.888 10.102 1.00 10.01 N ATOM 463 CA PRO A 29 20.859 -3.382 10.829 1.00 2.32 C ATOM 464 C PRO A 29 22.169 -2.955 10.175 1.00 53.03 C ATOM 465 O PRO A 29 22.169 -2.326 9.116 1.00 14.35 O ATOM 466 CB PRO A 29 20.701 -4.903 10.767 1.00 50.13 C ATOM 467 CG PRO A 29 19.880 -5.149 9.548 1.00 42.41 C ATOM 468 CD PRO A 29 18.950 -3.973 9.431 1.00 43.31 C ATOM 0 HA PRO A 29 20.906 -2.986 11.843 1.00 2.32 H new ATOM 0 HB2 PRO A 29 21.669 -5.399 10.699 1.00 50.13 H new ATOM 0 HB3 PRO A 29 20.208 -5.287 11.660 1.00 50.13 H new ATOM 0 HG2 PRO A 29 20.511 -5.237 8.664 1.00 42.41 H new ATOM 0 HG3 PRO A 29 19.322 -6.081 9.635 1.00 42.41 H new ATOM 0 HD2 PRO A 29 18.738 -3.731 8.390 1.00 43.31 H new ATOM 0 HD3 PRO A 29 17.993 -4.168 9.914 1.00 43.31 H new ATOM 476 N ASP A 30 23.283 -3.301 10.810 1.00 34.51 N ATOM 477 CA ASP A 30 24.600 -2.955 10.288 1.00 33.44 C ATOM 478 C ASP A 30 24.817 -3.571 8.910 1.00 52.25 C ATOM 479 O ASP A 30 25.674 -3.125 8.147 1.00 34.15 O ATOM 480 CB ASP A 30 25.692 -3.427 11.249 1.00 64.30 C ATOM 481 CG ASP A 30 27.055 -2.864 10.897 1.00 23.11 C ATOM 482 OD1 ASP A 30 27.119 -1.701 10.445 1.00 35.41 O ATOM 483 OD2 ASP A 30 28.059 -3.586 11.075 1.00 53.44 O ATOM 0 H ASP A 30 23.301 -3.821 11.687 1.00 34.51 H new ATOM 0 HA ASP A 30 24.653 -1.870 10.194 1.00 33.44 H new ATOM 0 HB2 ASP A 30 25.431 -3.131 12.265 1.00 64.30 H new ATOM 0 HB3 ASP A 30 25.737 -4.516 11.236 1.00 64.30 H new ATOM 488 N GLY A 31 24.035 -4.599 8.596 1.00 34.40 N ATOM 489 CA GLY A 31 24.158 -5.260 7.310 1.00 71.22 C ATOM 490 C GLY A 31 24.432 -6.745 7.445 1.00 55.03 C ATOM 491 O GLY A 31 23.958 -7.546 6.639 1.00 3.20 O ATOM 0 H GLY A 31 23.318 -4.986 9.210 1.00 34.40 H new ATOM 0 HA2 GLY A 31 23.240 -5.113 6.740 1.00 71.22 H new ATOM 0 HA3 GLY A 31 24.964 -4.795 6.742 1.00 71.22 H new ATOM 495 N ALA A 32 25.199 -7.113 8.465 1.00 21.32 N ATOM 496 CA ALA A 32 25.535 -8.512 8.703 1.00 52.33 C ATOM 497 C ALA A 32 25.008 -8.981 10.055 1.00 53.24 C ATOM 498 O ALA A 32 25.497 -9.961 10.617 1.00 53.21 O ATOM 499 CB ALA A 32 27.041 -8.714 8.622 1.00 34.12 C ATOM 0 H ALA A 32 25.600 -6.462 9.140 1.00 21.32 H new ATOM 0 HA ALA A 32 25.057 -9.112 7.929 1.00 52.33 H new ATOM 0 HB1 ALA A 32 27.278 -9.763 8.802 1.00 34.12 H new ATOM 0 HB2 ALA A 32 27.394 -8.427 7.631 1.00 34.12 H new ATOM 0 HB3 ALA A 32 27.532 -8.097 9.375 1.00 34.12 H new ATOM 505 N VAL A 33 24.007 -8.275 10.572 1.00 5.51 N ATOM 506 CA VAL A 33 23.414 -8.619 11.858 1.00 34.13 C ATOM 507 C VAL A 33 22.167 -9.478 11.676 1.00 41.52 C ATOM 508 O VAL A 33 21.180 -9.320 12.395 1.00 23.41 O ATOM 509 CB VAL A 33 23.042 -7.358 12.661 1.00 41.02 C ATOM 510 CG1 VAL A 33 22.806 -7.705 14.123 1.00 60.43 C ATOM 511 CG2 VAL A 33 24.128 -6.301 12.524 1.00 15.00 C ATOM 0 H VAL A 33 23.590 -7.461 10.119 1.00 5.51 H new ATOM 0 HA VAL A 33 24.164 -9.184 12.411 1.00 34.13 H new ATOM 0 HB VAL A 33 22.116 -6.950 12.256 1.00 41.02 H new ATOM 0 HG11 VAL A 33 22.544 -6.801 14.674 1.00 60.43 H new ATOM 0 HG12 VAL A 33 21.991 -8.425 14.199 1.00 60.43 H new ATOM 0 HG13 VAL A 33 23.713 -8.138 14.545 1.00 60.43 H new ATOM 0 HG21 VAL A 33 23.849 -5.417 13.097 1.00 15.00 H new ATOM 0 HG22 VAL A 33 25.071 -6.697 12.902 1.00 15.00 H new ATOM 0 HG23 VAL A 33 24.243 -6.031 11.474 1.00 15.00 H new ATOM 521 N LYS A 34 22.218 -10.387 10.709 1.00 63.14 N ATOM 522 CA LYS A 34 21.094 -11.274 10.431 1.00 44.51 C ATOM 523 C LYS A 34 19.809 -10.477 10.233 1.00 11.33 C ATOM 524 O LYS A 34 18.889 -10.525 11.050 1.00 53.32 O ATOM 525 CB LYS A 34 20.915 -12.276 11.573 1.00 70.42 C ATOM 526 CG LYS A 34 20.119 -13.509 11.180 1.00 12.15 C ATOM 527 CD LYS A 34 20.039 -14.508 12.322 1.00 32.05 C ATOM 528 CE LYS A 34 18.817 -14.261 13.194 1.00 21.43 C ATOM 529 NZ LYS A 34 19.093 -13.267 14.268 1.00 63.21 N ATOM 0 H LYS A 34 23.027 -10.529 10.104 1.00 63.14 H new ATOM 0 HA LYS A 34 21.310 -11.816 9.510 1.00 44.51 H new ATOM 0 HB2 LYS A 34 21.897 -12.586 11.930 1.00 70.42 H new ATOM 0 HB3 LYS A 34 20.415 -11.781 12.405 1.00 70.42 H new ATOM 0 HG2 LYS A 34 19.113 -13.214 10.882 1.00 12.15 H new ATOM 0 HG3 LYS A 34 20.582 -13.981 10.314 1.00 12.15 H new ATOM 0 HD2 LYS A 34 20.001 -15.520 11.919 1.00 32.05 H new ATOM 0 HD3 LYS A 34 20.941 -14.440 12.930 1.00 32.05 H new ATOM 0 HE2 LYS A 34 17.994 -13.906 12.574 1.00 21.43 H new ATOM 0 HE3 LYS A 34 18.495 -15.201 13.643 1.00 21.43 H new ATOM 0 HZ1 LYS A 34 18.940 -13.708 15.197 1.00 63.21 H new ATOM 0 HZ2 LYS A 34 20.079 -12.944 14.197 1.00 63.21 H new ATOM 0 HZ3 LYS A 34 18.454 -12.454 14.161 1.00 63.21 H new ATOM 543 N PRO A 35 19.741 -9.727 9.123 1.00 1.22 N ATOM 544 CA PRO A 35 18.572 -8.907 8.792 1.00 71.12 C ATOM 545 C PRO A 35 17.360 -9.752 8.413 1.00 2.11 C ATOM 546 O PRO A 35 17.461 -10.957 8.181 1.00 44.30 O ATOM 547 CB PRO A 35 19.045 -8.083 7.592 1.00 1.30 C ATOM 548 CG PRO A 35 20.125 -8.901 6.972 1.00 33.13 C ATOM 549 CD PRO A 35 20.801 -9.622 8.106 1.00 55.11 C ATOM 0 HA PRO A 35 18.245 -8.303 9.639 1.00 71.12 H new ATOM 0 HB2 PRO A 35 18.231 -7.904 6.889 1.00 1.30 H new ATOM 0 HB3 PRO A 35 19.417 -7.107 7.904 1.00 1.30 H new ATOM 0 HG2 PRO A 35 19.714 -9.607 6.250 1.00 33.13 H new ATOM 0 HG3 PRO A 35 20.832 -8.270 6.434 1.00 33.13 H new ATOM 0 HD2 PRO A 35 21.163 -10.604 7.800 1.00 55.11 H new ATOM 0 HD3 PRO A 35 21.662 -9.067 8.479 1.00 55.11 H new ATOM 557 N PRO A 36 16.186 -9.108 8.348 1.00 54.41 N ATOM 558 CA PRO A 36 14.932 -9.781 7.996 1.00 12.13 C ATOM 559 C PRO A 36 14.892 -10.204 6.532 1.00 22.40 C ATOM 560 O PRO A 36 15.717 -9.771 5.726 1.00 32.15 O ATOM 561 CB PRO A 36 13.868 -8.716 8.274 1.00 34.41 C ATOM 562 CG PRO A 36 14.586 -7.418 8.140 1.00 21.30 C ATOM 563 CD PRO A 36 15.991 -7.672 8.612 1.00 41.01 C ATOM 0 HA PRO A 36 14.791 -10.702 8.562 1.00 12.13 H new ATOM 0 HB2 PRO A 36 13.043 -8.787 7.565 1.00 34.41 H new ATOM 0 HB3 PRO A 36 13.443 -8.832 9.271 1.00 34.41 H new ATOM 0 HG2 PRO A 36 14.578 -7.072 7.106 1.00 21.30 H new ATOM 0 HG3 PRO A 36 14.107 -6.643 8.739 1.00 21.30 H new ATOM 0 HD2 PRO A 36 16.713 -7.062 8.070 1.00 41.01 H new ATOM 0 HD3 PRO A 36 16.108 -7.439 9.670 1.00 41.01 H new ATOM 571 N THR A 37 13.928 -11.054 6.192 1.00 33.13 N ATOM 572 CA THR A 37 13.781 -11.537 4.825 1.00 10.20 C ATOM 573 C THR A 37 12.666 -10.795 4.097 1.00 73.31 C ATOM 574 O THR A 37 11.494 -11.151 4.211 1.00 73.32 O ATOM 575 CB THR A 37 13.484 -13.048 4.792 1.00 44.05 C ATOM 576 OG1 THR A 37 14.564 -13.772 5.392 1.00 72.52 O ATOM 577 CG2 THR A 37 13.278 -13.527 3.363 1.00 72.34 C ATOM 0 H THR A 37 13.237 -11.422 6.846 1.00 33.13 H new ATOM 0 HA THR A 37 14.728 -11.350 4.320 1.00 10.20 H new ATOM 0 HB THR A 37 12.568 -13.229 5.355 1.00 44.05 H new ATOM 0 HG1 THR A 37 14.367 -14.732 5.369 1.00 72.52 H new ATOM 0 HG21 THR A 37 13.070 -14.597 3.364 1.00 72.34 H new ATOM 0 HG22 THR A 37 12.437 -12.994 2.918 1.00 72.34 H new ATOM 0 HG23 THR A 37 14.179 -13.334 2.781 1.00 72.34 H new ATOM 585 N ASN A 38 13.039 -9.763 3.348 1.00 53.31 N ATOM 586 CA ASN A 38 12.069 -8.971 2.600 1.00 14.24 C ATOM 587 C ASN A 38 11.100 -8.265 3.544 1.00 1.42 C ATOM 588 O ASN A 38 9.931 -8.061 3.215 1.00 64.14 O ATOM 589 CB ASN A 38 11.293 -9.862 1.628 1.00 14.42 C ATOM 590 CG ASN A 38 12.201 -10.787 0.841 1.00 13.31 C ATOM 591 OD1 ASN A 38 12.056 -12.008 0.892 1.00 32.12 O ATOM 592 ND2 ASN A 38 13.144 -10.207 0.108 1.00 11.30 N ATOM 0 H ASN A 38 14.006 -9.455 3.243 1.00 53.31 H new ATOM 0 HA ASN A 38 12.613 -8.215 2.034 1.00 14.24 H new ATOM 0 HB2 ASN A 38 10.568 -10.456 2.184 1.00 14.42 H new ATOM 0 HB3 ASN A 38 10.729 -9.236 0.936 1.00 14.42 H new ATOM 0 HD21 ASN A 38 13.785 -10.778 -0.443 1.00 11.30 H new ATOM 0 HD22 ASN A 38 13.227 -9.190 0.096 1.00 11.30 H new ATOM 599 N LYS A 39 11.594 -7.892 4.720 1.00 22.21 N ATOM 600 CA LYS A 39 10.775 -7.207 5.712 1.00 12.24 C ATOM 601 C LYS A 39 11.587 -6.148 6.452 1.00 61.25 C ATOM 602 O LYS A 39 12.788 -6.000 6.221 1.00 1.23 O ATOM 603 CB LYS A 39 10.199 -8.213 6.712 1.00 43.13 C ATOM 604 CG LYS A 39 9.382 -9.316 6.062 1.00 63.22 C ATOM 605 CD LYS A 39 8.988 -10.384 7.068 1.00 72.42 C ATOM 606 CE LYS A 39 8.984 -11.769 6.438 1.00 1.11 C ATOM 607 NZ LYS A 39 10.327 -12.410 6.500 1.00 33.24 N ATOM 0 H LYS A 39 12.559 -8.053 5.009 1.00 22.21 H new ATOM 0 HA LYS A 39 9.956 -6.713 5.190 1.00 12.24 H new ATOM 0 HB2 LYS A 39 11.017 -8.662 7.275 1.00 43.13 H new ATOM 0 HB3 LYS A 39 9.572 -7.682 7.429 1.00 43.13 H new ATOM 0 HG2 LYS A 39 8.485 -8.889 5.613 1.00 63.22 H new ATOM 0 HG3 LYS A 39 9.958 -9.769 5.255 1.00 63.22 H new ATOM 0 HD2 LYS A 39 9.682 -10.367 7.908 1.00 72.42 H new ATOM 0 HD3 LYS A 39 7.998 -10.162 7.467 1.00 72.42 H new ATOM 0 HE2 LYS A 39 8.257 -12.399 6.950 1.00 1.11 H new ATOM 0 HE3 LYS A 39 8.665 -11.694 5.398 1.00 1.11 H new ATOM 0 HZ1 LYS A 39 10.230 -13.435 6.351 1.00 33.24 H new ATOM 0 HZ2 LYS A 39 10.938 -12.009 5.760 1.00 33.24 H new ATOM 0 HZ3 LYS A 39 10.753 -12.234 7.432 1.00 33.24 H new ATOM 621 N LEU A 40 10.926 -5.416 7.341 1.00 52.33 N ATOM 622 CA LEU A 40 11.587 -4.371 8.115 1.00 22.44 C ATOM 623 C LEU A 40 11.244 -4.492 9.597 1.00 62.42 C ATOM 624 O LEU A 40 10.245 -5.102 9.980 1.00 3.51 O ATOM 625 CB LEU A 40 11.182 -2.990 7.597 1.00 34.44 C ATOM 626 CG LEU A 40 9.757 -2.868 7.056 1.00 33.52 C ATOM 627 CD1 LEU A 40 9.226 -1.458 7.262 1.00 24.11 C ATOM 628 CD2 LEU A 40 9.712 -3.247 5.583 1.00 35.51 C ATOM 0 H LEU A 40 9.933 -5.527 7.544 1.00 52.33 H new ATOM 0 HA LEU A 40 12.664 -4.493 7.999 1.00 22.44 H new ATOM 0 HB2 LEU A 40 11.305 -2.270 8.406 1.00 34.44 H new ATOM 0 HB3 LEU A 40 11.875 -2.703 6.806 1.00 34.44 H new ATOM 0 HG LEU A 40 9.119 -3.558 7.608 1.00 33.52 H new ATOM 0 HD11 LEU A 40 8.211 -1.391 6.871 1.00 24.11 H new ATOM 0 HD12 LEU A 40 9.221 -1.223 8.326 1.00 24.11 H new ATOM 0 HD13 LEU A 40 9.865 -0.748 6.737 1.00 24.11 H new ATOM 0 HD21 LEU A 40 8.690 -3.154 5.215 1.00 35.51 H new ATOM 0 HD22 LEU A 40 10.364 -2.582 5.016 1.00 35.51 H new ATOM 0 HD23 LEU A 40 10.050 -4.276 5.462 1.00 35.51 H new ATOM 640 N PRO A 41 12.090 -3.897 10.451 1.00 70.12 N ATOM 641 CA PRO A 41 11.896 -3.922 11.904 1.00 52.24 C ATOM 642 C PRO A 41 10.704 -3.079 12.343 1.00 14.05 C ATOM 643 O PRO A 41 10.631 -1.887 12.045 1.00 53.42 O ATOM 644 CB PRO A 41 13.199 -3.329 12.446 1.00 72.03 C ATOM 645 CG PRO A 41 13.715 -2.475 11.340 1.00 42.40 C ATOM 646 CD PRO A 41 13.301 -3.154 10.064 1.00 53.51 C ATOM 0 HA PRO A 41 11.684 -4.927 12.270 1.00 52.24 H new ATOM 0 HB2 PRO A 41 13.022 -2.744 13.349 1.00 72.03 H new ATOM 0 HB3 PRO A 41 13.911 -4.111 12.708 1.00 72.03 H new ATOM 0 HG2 PRO A 41 13.301 -1.468 11.398 1.00 42.40 H new ATOM 0 HG3 PRO A 41 14.799 -2.377 11.396 1.00 42.40 H new ATOM 0 HD2 PRO A 41 13.094 -2.433 9.273 1.00 53.51 H new ATOM 0 HD3 PRO A 41 14.080 -3.820 9.692 1.00 53.51 H new ATOM 654 N ILE A 42 9.772 -3.706 13.054 1.00 1.53 N ATOM 655 CA ILE A 42 8.584 -3.012 13.536 1.00 3.32 C ATOM 656 C ILE A 42 8.463 -3.117 15.053 1.00 63.33 C ATOM 657 O ILE A 42 8.159 -4.183 15.589 1.00 13.44 O ATOM 658 CB ILE A 42 7.304 -3.573 12.890 1.00 13.32 C ATOM 659 CG1 ILE A 42 7.479 -3.687 11.374 1.00 11.24 C ATOM 660 CG2 ILE A 42 6.111 -2.690 13.226 1.00 73.30 C ATOM 661 CD1 ILE A 42 7.793 -2.369 10.702 1.00 40.14 C ATOM 0 H ILE A 42 9.817 -4.693 13.309 1.00 1.53 H new ATOM 0 HA ILE A 42 8.694 -1.965 13.255 1.00 3.32 H new ATOM 0 HB ILE A 42 7.119 -4.569 13.291 1.00 13.32 H new ATOM 0 HG12 ILE A 42 8.280 -4.394 11.161 1.00 11.24 H new ATOM 0 HG13 ILE A 42 6.567 -4.098 10.941 1.00 11.24 H new ATOM 0 HG21 ILE A 42 5.213 -3.099 12.762 1.00 73.30 H new ATOM 0 HG22 ILE A 42 5.977 -2.655 14.307 1.00 73.30 H new ATOM 0 HG23 ILE A 42 6.287 -1.682 12.849 1.00 73.30 H new ATOM 0 HD11 ILE A 42 7.904 -2.525 9.629 1.00 40.14 H new ATOM 0 HD12 ILE A 42 6.981 -1.665 10.884 1.00 40.14 H new ATOM 0 HD13 ILE A 42 8.721 -1.966 11.108 1.00 40.14 H new ATOM 673 N PHE A 43 8.702 -2.004 15.739 1.00 63.54 N ATOM 674 CA PHE A 43 8.619 -1.971 17.194 1.00 4.12 C ATOM 675 C PHE A 43 7.185 -1.724 17.652 1.00 72.43 C ATOM 676 O PHE A 43 6.662 -0.617 17.524 1.00 21.00 O ATOM 677 CB PHE A 43 9.539 -0.883 17.754 1.00 60.44 C ATOM 678 CG PHE A 43 9.682 -0.929 19.248 1.00 33.51 C ATOM 679 CD1 PHE A 43 10.077 -2.095 19.884 1.00 60.30 C ATOM 680 CD2 PHE A 43 9.420 0.193 20.017 1.00 10.01 C ATOM 681 CE1 PHE A 43 10.210 -2.141 21.259 1.00 13.01 C ATOM 682 CE2 PHE A 43 9.551 0.153 21.392 1.00 3.43 C ATOM 683 CZ PHE A 43 9.945 -1.015 22.014 1.00 24.22 C ATOM 0 H PHE A 43 8.955 -1.113 15.311 1.00 63.54 H new ATOM 0 HA PHE A 43 8.941 -2.941 17.573 1.00 4.12 H new ATOM 0 HB2 PHE A 43 10.525 -0.983 17.300 1.00 60.44 H new ATOM 0 HB3 PHE A 43 9.152 0.094 17.464 1.00 60.44 H new ATOM 0 HD1 PHE A 43 10.283 -2.979 19.298 1.00 60.30 H new ATOM 0 HD2 PHE A 43 9.110 1.109 19.537 1.00 10.01 H new ATOM 0 HE1 PHE A 43 10.521 -3.056 21.742 1.00 13.01 H new ATOM 0 HE2 PHE A 43 9.345 1.035 21.980 1.00 3.43 H new ATOM 0 HZ PHE A 43 10.046 -1.048 23.089 1.00 24.22 H new ATOM 693 N PHE A 44 6.553 -2.765 18.185 1.00 61.02 N ATOM 694 CA PHE A 44 5.178 -2.663 18.660 1.00 23.22 C ATOM 695 C PHE A 44 5.110 -1.866 19.960 1.00 72.24 C ATOM 696 O PHE A 44 5.598 -2.310 20.999 1.00 14.54 O ATOM 697 CB PHE A 44 4.585 -4.058 18.872 1.00 10.41 C ATOM 698 CG PHE A 44 4.008 -4.660 17.623 1.00 52.41 C ATOM 699 CD1 PHE A 44 3.084 -3.960 16.864 1.00 41.34 C ATOM 700 CD2 PHE A 44 4.389 -5.925 17.208 1.00 65.24 C ATOM 701 CE1 PHE A 44 2.551 -4.512 15.714 1.00 10.22 C ATOM 702 CE2 PHE A 44 3.860 -6.482 16.059 1.00 60.32 C ATOM 703 CZ PHE A 44 2.940 -5.774 15.311 1.00 63.14 C ATOM 0 H PHE A 44 6.971 -3.688 18.299 1.00 61.02 H new ATOM 0 HA PHE A 44 4.595 -2.139 17.902 1.00 23.22 H new ATOM 0 HB2 PHE A 44 5.361 -4.719 19.259 1.00 10.41 H new ATOM 0 HB3 PHE A 44 3.806 -4.001 19.632 1.00 10.41 H new ATOM 0 HD1 PHE A 44 2.777 -2.972 17.174 1.00 41.34 H new ATOM 0 HD2 PHE A 44 5.108 -6.483 17.789 1.00 65.24 H new ATOM 0 HE1 PHE A 44 1.831 -3.957 15.131 1.00 10.22 H new ATOM 0 HE2 PHE A 44 4.166 -7.470 15.747 1.00 60.32 H new ATOM 0 HZ PHE A 44 2.526 -6.207 14.412 1.00 63.14 H new ATOM 713 N PHE A 45 4.501 -0.687 19.892 1.00 41.22 N ATOM 714 CA PHE A 45 4.370 0.174 21.062 1.00 75.14 C ATOM 715 C PHE A 45 3.274 -0.338 21.993 1.00 40.54 C ATOM 716 O PHE A 45 2.268 -0.884 21.543 1.00 33.45 O ATOM 717 CB PHE A 45 4.061 1.610 20.632 1.00 34.35 C ATOM 718 CG PHE A 45 5.284 2.471 20.495 1.00 33.33 C ATOM 719 CD1 PHE A 45 6.233 2.514 21.503 1.00 22.04 C ATOM 720 CD2 PHE A 45 5.483 3.237 19.358 1.00 5.15 C ATOM 721 CE1 PHE A 45 7.360 3.305 21.380 1.00 21.12 C ATOM 722 CE2 PHE A 45 6.608 4.030 19.230 1.00 65.55 C ATOM 723 CZ PHE A 45 7.547 4.064 20.242 1.00 3.51 C ATOM 0 H PHE A 45 4.090 -0.306 19.040 1.00 41.22 H new ATOM 0 HA PHE A 45 5.317 0.160 21.602 1.00 75.14 H new ATOM 0 HB2 PHE A 45 3.532 1.590 19.679 1.00 34.35 H new ATOM 0 HB3 PHE A 45 3.388 2.062 21.360 1.00 34.35 H new ATOM 0 HD1 PHE A 45 6.091 1.923 22.395 1.00 22.04 H new ATOM 0 HD2 PHE A 45 4.752 3.214 18.564 1.00 5.15 H new ATOM 0 HE1 PHE A 45 8.093 3.329 22.173 1.00 21.12 H new ATOM 0 HE2 PHE A 45 6.753 4.623 18.339 1.00 65.55 H new ATOM 0 HZ PHE A 45 8.426 4.683 20.143 1.00 3.51 H new ATOM 733 N GLY A 46 3.479 -0.156 23.294 1.00 53.52 N ATOM 734 CA GLY A 46 2.501 -0.604 24.268 1.00 24.23 C ATOM 735 C GLY A 46 2.782 -2.008 24.767 1.00 72.04 C ATOM 736 O GLY A 46 2.567 -2.314 25.940 1.00 2.42 O ATOM 0 H GLY A 46 4.304 0.293 23.691 1.00 53.52 H new ATOM 0 HA2 GLY A 46 2.493 0.084 25.113 1.00 24.23 H new ATOM 0 HA3 GLY A 46 1.507 -0.572 23.822 1.00 24.23 H new ATOM 740 N THR A 47 3.262 -2.867 23.873 1.00 51.05 N ATOM 741 CA THR A 47 3.569 -4.247 24.227 1.00 43.23 C ATOM 742 C THR A 47 5.071 -4.505 24.181 1.00 10.31 C ATOM 743 O THR A 47 5.532 -5.604 24.491 1.00 1.31 O ATOM 744 CB THR A 47 2.861 -5.240 23.286 1.00 54.51 C ATOM 745 OG1 THR A 47 3.379 -5.111 21.957 1.00 3.14 O ATOM 746 CG2 THR A 47 1.359 -4.997 23.275 1.00 31.02 C ATOM 0 H THR A 47 3.447 -2.631 22.898 1.00 51.05 H new ATOM 0 HA THR A 47 3.207 -4.400 25.244 1.00 43.23 H new ATOM 0 HB THR A 47 3.048 -6.250 23.652 1.00 54.51 H new ATOM 0 HG1 THR A 47 2.925 -5.747 21.366 1.00 3.14 H new ATOM 0 HG21 THR A 47 0.880 -5.710 22.604 1.00 31.02 H new ATOM 0 HG22 THR A 47 0.962 -5.124 24.282 1.00 31.02 H new ATOM 0 HG23 THR A 47 1.157 -3.983 22.931 1.00 31.02 H new ATOM 754 N HIS A 48 5.830 -3.485 23.793 1.00 4.14 N ATOM 755 CA HIS A 48 7.282 -3.602 23.709 1.00 51.53 C ATOM 756 C HIS A 48 7.682 -4.838 22.909 1.00 51.53 C ATOM 757 O HIS A 48 8.683 -5.486 23.211 1.00 41.12 O ATOM 758 CB HIS A 48 7.892 -3.667 25.109 1.00 10.42 C ATOM 759 CG HIS A 48 7.967 -2.336 25.792 1.00 11.14 C ATOM 760 ND1 HIS A 48 7.977 -1.138 25.109 1.00 64.53 N ATOM 761 CD2 HIS A 48 8.034 -2.018 27.106 1.00 15.23 C ATOM 762 CE1 HIS A 48 8.049 -0.141 25.972 1.00 20.55 C ATOM 763 NE2 HIS A 48 8.084 -0.648 27.192 1.00 72.23 N ATOM 0 H HIS A 48 5.465 -2.569 23.532 1.00 4.14 H new ATOM 0 HA HIS A 48 7.663 -2.719 23.196 1.00 51.53 H new ATOM 0 HB2 HIS A 48 7.302 -4.348 25.722 1.00 10.42 H new ATOM 0 HB3 HIS A 48 8.895 -4.088 25.040 1.00 10.42 H new ATOM 0 HD2 HIS A 48 8.046 -2.712 27.933 1.00 15.23 H new ATOM 0 HE1 HIS A 48 8.075 0.910 25.723 1.00 20.55 H new ATOM 0 HE2 HIS A 48 8.139 -0.110 28.057 1.00 72.23 H new ATOM 771 N GLU A 49 6.892 -5.157 21.888 1.00 21.43 N ATOM 772 CA GLU A 49 7.164 -6.317 21.047 1.00 42.32 C ATOM 773 C GLU A 49 7.840 -5.897 19.744 1.00 33.14 C ATOM 774 O GLU A 49 8.011 -4.708 19.475 1.00 41.31 O ATOM 775 CB GLU A 49 5.867 -7.069 20.742 1.00 22.20 C ATOM 776 CG GLU A 49 5.213 -7.677 21.971 1.00 22.52 C ATOM 777 CD GLU A 49 6.213 -8.352 22.890 1.00 31.23 C ATOM 778 OE1 GLU A 49 7.106 -9.059 22.378 1.00 41.23 O ATOM 779 OE2 GLU A 49 6.102 -8.174 24.121 1.00 21.32 O ATOM 0 H GLU A 49 6.060 -4.629 21.624 1.00 21.43 H new ATOM 0 HA GLU A 49 7.839 -6.978 21.590 1.00 42.32 H new ATOM 0 HB2 GLU A 49 5.163 -6.385 20.267 1.00 22.20 H new ATOM 0 HB3 GLU A 49 6.076 -7.861 20.023 1.00 22.20 H new ATOM 0 HG2 GLU A 49 4.688 -6.897 22.522 1.00 22.52 H new ATOM 0 HG3 GLU A 49 4.465 -8.405 21.657 1.00 22.52 H new ATOM 786 N THR A 50 8.223 -6.883 18.939 1.00 74.03 N ATOM 787 CA THR A 50 8.881 -6.618 17.666 1.00 52.22 C ATOM 788 C THR A 50 8.546 -7.694 16.639 1.00 1.21 C ATOM 789 O THR A 50 8.743 -8.883 16.886 1.00 63.12 O ATOM 790 CB THR A 50 10.410 -6.539 17.830 1.00 44.00 C ATOM 791 OG1 THR A 50 11.043 -6.563 16.545 1.00 12.25 O ATOM 792 CG2 THR A 50 10.924 -7.695 18.675 1.00 2.43 C ATOM 0 H THR A 50 8.089 -7.873 19.146 1.00 74.03 H new ATOM 0 HA THR A 50 8.511 -5.655 17.313 1.00 52.22 H new ATOM 0 HB THR A 50 10.651 -5.604 18.336 1.00 44.00 H new ATOM 0 HG1 THR A 50 12.015 -6.511 16.658 1.00 12.25 H new ATOM 0 HG21 THR A 50 12.006 -7.618 18.777 1.00 2.43 H new ATOM 0 HG22 THR A 50 10.463 -7.657 19.662 1.00 2.43 H new ATOM 0 HG23 THR A 50 10.671 -8.639 18.192 1.00 2.43 H new ATOM 800 N ALA A 51 8.039 -7.268 15.487 1.00 64.24 N ATOM 801 CA ALA A 51 7.680 -8.196 14.421 1.00 0.32 C ATOM 802 C ALA A 51 8.214 -7.719 13.075 1.00 51.22 C ATOM 803 O ALA A 51 8.191 -6.525 12.774 1.00 72.10 O ATOM 804 CB ALA A 51 6.170 -8.370 14.360 1.00 32.25 C ATOM 0 H ALA A 51 7.868 -6.287 15.268 1.00 64.24 H new ATOM 0 HA ALA A 51 8.138 -9.160 14.643 1.00 0.32 H new ATOM 0 HB1 ALA A 51 5.916 -9.065 13.560 1.00 32.25 H new ATOM 0 HB2 ALA A 51 5.810 -8.764 15.311 1.00 32.25 H new ATOM 0 HB3 ALA A 51 5.700 -7.406 14.166 1.00 32.25 H new ATOM 810 N PHE A 52 8.695 -8.659 12.268 1.00 42.42 N ATOM 811 CA PHE A 52 9.237 -8.334 10.953 1.00 12.44 C ATOM 812 C PHE A 52 8.171 -8.491 9.872 1.00 5.53 C ATOM 813 O PHE A 52 7.665 -9.589 9.638 1.00 11.33 O ATOM 814 CB PHE A 52 10.436 -9.229 10.637 1.00 24.20 C ATOM 815 CG PHE A 52 11.702 -8.800 11.322 1.00 2.11 C ATOM 816 CD1 PHE A 52 12.213 -7.527 11.128 1.00 42.34 C ATOM 817 CD2 PHE A 52 12.381 -9.669 12.161 1.00 72.11 C ATOM 818 CE1 PHE A 52 13.378 -7.129 11.756 1.00 22.51 C ATOM 819 CE2 PHE A 52 13.546 -9.277 12.793 1.00 62.35 C ATOM 820 CZ PHE A 52 14.045 -8.005 12.591 1.00 72.34 C ATOM 0 H PHE A 52 8.721 -9.652 12.501 1.00 42.42 H new ATOM 0 HA PHE A 52 9.563 -7.294 10.969 1.00 12.44 H new ATOM 0 HB2 PHE A 52 10.203 -10.252 10.931 1.00 24.20 H new ATOM 0 HB3 PHE A 52 10.600 -9.236 9.559 1.00 24.20 H new ATOM 0 HD1 PHE A 52 11.695 -6.837 10.478 1.00 42.34 H new ATOM 0 HD2 PHE A 52 11.995 -10.665 12.323 1.00 72.11 H new ATOM 0 HE1 PHE A 52 13.767 -6.134 11.594 1.00 22.51 H new ATOM 0 HE2 PHE A 52 14.066 -9.964 13.444 1.00 62.35 H new ATOM 0 HZ PHE A 52 14.954 -7.696 13.085 1.00 72.34 H new ATOM 830 N LEU A 53 7.836 -7.385 9.216 1.00 32.24 N ATOM 831 CA LEU A 53 6.830 -7.398 8.160 1.00 61.23 C ATOM 832 C LEU A 53 7.206 -6.435 7.038 1.00 23.31 C ATOM 833 O LEU A 53 7.716 -5.344 7.288 1.00 40.10 O ATOM 834 CB LEU A 53 5.460 -7.026 8.728 1.00 34.32 C ATOM 835 CG LEU A 53 5.099 -7.654 10.075 1.00 73.31 C ATOM 836 CD1 LEU A 53 3.904 -6.944 10.692 1.00 73.21 C ATOM 837 CD2 LEU A 53 4.812 -9.140 9.911 1.00 44.21 C ATOM 0 H LEU A 53 8.246 -6.469 9.397 1.00 32.24 H new ATOM 0 HA LEU A 53 6.784 -8.406 7.749 1.00 61.23 H new ATOM 0 HB2 LEU A 53 5.414 -5.942 8.831 1.00 34.32 H new ATOM 0 HB3 LEU A 53 4.698 -7.310 8.002 1.00 34.32 H new ATOM 0 HG LEU A 53 5.950 -7.540 10.747 1.00 73.31 H new ATOM 0 HD11 LEU A 53 3.662 -7.405 11.650 1.00 73.21 H new ATOM 0 HD12 LEU A 53 4.145 -5.892 10.846 1.00 73.21 H new ATOM 0 HD13 LEU A 53 3.047 -7.026 10.023 1.00 73.21 H new ATOM 0 HD21 LEU A 53 4.557 -9.570 10.879 1.00 44.21 H new ATOM 0 HD22 LEU A 53 3.978 -9.276 9.223 1.00 44.21 H new ATOM 0 HD23 LEU A 53 5.695 -9.639 9.513 1.00 44.21 H new ATOM 849 N GLY A 54 6.949 -6.847 5.800 1.00 22.12 N ATOM 850 CA GLY A 54 7.265 -6.009 4.659 1.00 43.53 C ATOM 851 C GLY A 54 6.417 -4.754 4.609 1.00 53.54 C ATOM 852 O GLY A 54 5.571 -4.515 5.471 1.00 22.32 O ATOM 0 H GLY A 54 6.528 -7.746 5.568 1.00 22.12 H new ATOM 0 HA2 GLY A 54 8.318 -5.731 4.697 1.00 43.53 H new ATOM 0 HA3 GLY A 54 7.119 -6.579 3.742 1.00 43.53 H new ATOM 856 N PRO A 55 6.640 -3.924 3.579 1.00 63.04 N ATOM 857 CA PRO A 55 5.900 -2.672 3.395 1.00 22.03 C ATOM 858 C PRO A 55 4.443 -2.910 3.014 1.00 22.40 C ATOM 859 O PRO A 55 3.553 -2.167 3.428 1.00 73.55 O ATOM 860 CB PRO A 55 6.647 -1.983 2.250 1.00 12.03 C ATOM 861 CG PRO A 55 7.289 -3.094 1.494 1.00 73.23 C ATOM 862 CD PRO A 55 7.633 -4.145 2.513 1.00 14.22 C ATOM 0 HA PRO A 55 5.861 -2.083 4.312 1.00 22.03 H new ATOM 0 HB2 PRO A 55 5.965 -1.416 1.617 1.00 12.03 H new ATOM 0 HB3 PRO A 55 7.390 -1.280 2.628 1.00 12.03 H new ATOM 0 HG2 PRO A 55 6.614 -3.492 0.736 1.00 73.23 H new ATOM 0 HG3 PRO A 55 8.182 -2.747 0.974 1.00 73.23 H new ATOM 0 HD2 PRO A 55 7.558 -5.149 2.096 1.00 14.22 H new ATOM 0 HD3 PRO A 55 8.652 -4.029 2.882 1.00 14.22 H new ATOM 870 N LYS A 56 4.206 -3.951 2.223 1.00 21.52 N ATOM 871 CA LYS A 56 2.857 -4.290 1.787 1.00 53.22 C ATOM 872 C LYS A 56 2.021 -4.806 2.954 1.00 70.33 C ATOM 873 O LYS A 56 0.802 -4.942 2.844 1.00 2.05 O ATOM 874 CB LYS A 56 2.906 -5.342 0.676 1.00 3.43 C ATOM 875 CG LYS A 56 3.798 -4.953 -0.490 1.00 50.12 C ATOM 876 CD LYS A 56 3.636 -5.910 -1.659 1.00 61.20 C ATOM 877 CE LYS A 56 4.494 -7.154 -1.484 1.00 3.31 C ATOM 878 NZ LYS A 56 4.466 -8.022 -2.694 1.00 4.24 N ATOM 0 H LYS A 56 4.932 -4.575 1.871 1.00 21.52 H new ATOM 0 HA LYS A 56 2.389 -3.384 1.401 1.00 53.22 H new ATOM 0 HB2 LYS A 56 3.259 -6.284 1.095 1.00 3.43 H new ATOM 0 HB3 LYS A 56 1.895 -5.516 0.307 1.00 3.43 H new ATOM 0 HG2 LYS A 56 3.557 -3.940 -0.812 1.00 50.12 H new ATOM 0 HG3 LYS A 56 4.839 -4.945 -0.166 1.00 50.12 H new ATOM 0 HD2 LYS A 56 2.589 -6.199 -1.752 1.00 61.20 H new ATOM 0 HD3 LYS A 56 3.910 -5.405 -2.585 1.00 61.20 H new ATOM 0 HE2 LYS A 56 5.522 -6.859 -1.272 1.00 3.31 H new ATOM 0 HE3 LYS A 56 4.141 -7.721 -0.622 1.00 3.31 H new ATOM 0 HZ1 LYS A 56 5.063 -8.859 -2.535 1.00 4.24 H new ATOM 0 HZ2 LYS A 56 3.489 -8.324 -2.882 1.00 4.24 H new ATOM 0 HZ3 LYS A 56 4.827 -7.490 -3.511 1.00 4.24 H new ATOM 892 N ASP A 57 2.683 -5.091 4.069 1.00 24.33 N ATOM 893 CA ASP A 57 2.001 -5.590 5.258 1.00 70.35 C ATOM 894 C ASP A 57 1.683 -4.451 6.220 1.00 13.43 C ATOM 895 O ASP A 57 0.684 -4.493 6.939 1.00 33.10 O ATOM 896 CB ASP A 57 2.859 -6.643 5.960 1.00 22.42 C ATOM 897 CG ASP A 57 2.537 -8.052 5.503 1.00 74.33 C ATOM 898 OD1 ASP A 57 1.357 -8.451 5.596 1.00 73.30 O ATOM 899 OD2 ASP A 57 3.464 -8.756 5.051 1.00 51.35 O ATOM 0 H ASP A 57 3.692 -4.985 4.175 1.00 24.33 H new ATOM 0 HA ASP A 57 1.063 -6.048 4.943 1.00 70.35 H new ATOM 0 HB2 ASP A 57 3.912 -6.435 5.770 1.00 22.42 H new ATOM 0 HB3 ASP A 57 2.709 -6.570 7.037 1.00 22.42 H new ATOM 904 N ILE A 58 2.539 -3.434 6.230 1.00 74.34 N ATOM 905 CA ILE A 58 2.348 -2.284 7.104 1.00 42.20 C ATOM 906 C ILE A 58 1.584 -1.173 6.392 1.00 14.12 C ATOM 907 O ILE A 58 1.848 -0.870 5.229 1.00 51.44 O ATOM 908 CB ILE A 58 3.695 -1.727 7.603 1.00 54.23 C ATOM 909 CG1 ILE A 58 4.618 -1.429 6.419 1.00 30.15 C ATOM 910 CG2 ILE A 58 4.352 -2.709 8.561 1.00 60.04 C ATOM 911 CD1 ILE A 58 5.891 -0.713 6.812 1.00 65.41 C ATOM 0 H ILE A 58 3.371 -3.384 5.642 1.00 74.34 H new ATOM 0 HA ILE A 58 1.768 -2.630 7.959 1.00 42.20 H new ATOM 0 HB ILE A 58 3.511 -0.796 8.139 1.00 54.23 H new ATOM 0 HG12 ILE A 58 4.875 -2.366 5.924 1.00 30.15 H new ATOM 0 HG13 ILE A 58 4.079 -0.822 5.692 1.00 30.15 H new ATOM 0 HG21 ILE A 58 5.303 -2.301 8.905 1.00 60.04 H new ATOM 0 HG22 ILE A 58 3.698 -2.875 9.417 1.00 60.04 H new ATOM 0 HG23 ILE A 58 4.527 -3.655 8.049 1.00 60.04 H new ATOM 0 HD11 ILE A 58 6.497 -0.534 5.924 1.00 65.41 H new ATOM 0 HD12 ILE A 58 5.643 0.240 7.280 1.00 65.41 H new ATOM 0 HD13 ILE A 58 6.452 -1.328 7.516 1.00 65.41 H new ATOM 923 N PHE A 59 0.635 -0.568 7.099 1.00 1.25 N ATOM 924 CA PHE A 59 -0.168 0.511 6.536 1.00 71.11 C ATOM 925 C PHE A 59 0.021 1.801 7.328 1.00 5.23 C ATOM 926 O PHE A 59 0.486 1.797 8.469 1.00 73.34 O ATOM 927 CB PHE A 59 -1.647 0.120 6.522 1.00 14.31 C ATOM 928 CG PHE A 59 -2.101 -0.465 5.215 1.00 3.31 C ATOM 929 CD1 PHE A 59 -1.670 -1.720 4.816 1.00 11.32 C ATOM 930 CD2 PHE A 59 -2.957 0.241 4.385 1.00 32.23 C ATOM 931 CE1 PHE A 59 -2.086 -2.261 3.614 1.00 24.12 C ATOM 932 CE2 PHE A 59 -3.376 -0.296 3.183 1.00 54.35 C ATOM 933 CZ PHE A 59 -2.939 -1.548 2.796 1.00 52.41 C ATOM 0 H PHE A 59 0.403 -0.807 8.063 1.00 1.25 H new ATOM 0 HA PHE A 59 0.166 0.682 5.513 1.00 71.11 H new ATOM 0 HB2 PHE A 59 -1.831 -0.602 7.317 1.00 14.31 H new ATOM 0 HB3 PHE A 59 -2.249 1.001 6.745 1.00 14.31 H new ATOM 0 HD1 PHE A 59 -1.001 -2.282 5.451 1.00 11.32 H new ATOM 0 HD2 PHE A 59 -3.300 1.221 4.681 1.00 32.23 H new ATOM 0 HE1 PHE A 59 -1.744 -3.241 3.315 1.00 24.12 H new ATOM 0 HE2 PHE A 59 -4.045 0.263 2.546 1.00 54.35 H new ATOM 0 HZ PHE A 59 -3.264 -1.968 1.856 1.00 52.41 H new ATOM 943 N PRO A 60 -0.346 2.934 6.710 1.00 24.34 N ATOM 944 CA PRO A 60 -0.226 4.253 7.338 1.00 23.24 C ATOM 945 C PRO A 60 -1.215 4.442 8.484 1.00 65.43 C ATOM 946 O PRO A 60 -2.405 4.162 8.341 1.00 31.23 O ATOM 947 CB PRO A 60 -0.541 5.220 6.195 1.00 50.12 C ATOM 948 CG PRO A 60 -1.391 4.434 5.257 1.00 1.01 C ATOM 949 CD PRO A 60 -0.907 3.014 5.351 1.00 24.52 C ATOM 0 HA PRO A 60 0.757 4.404 7.784 1.00 23.24 H new ATOM 0 HB2 PRO A 60 -1.065 6.104 6.558 1.00 50.12 H new ATOM 0 HB3 PRO A 60 0.370 5.567 5.708 1.00 50.12 H new ATOM 0 HG2 PRO A 60 -2.444 4.506 5.530 1.00 1.01 H new ATOM 0 HG3 PRO A 60 -1.300 4.811 4.238 1.00 1.01 H new ATOM 0 HD2 PRO A 60 -1.720 2.302 5.209 1.00 24.52 H new ATOM 0 HD3 PRO A 60 -0.156 2.795 4.593 1.00 24.52 H new ATOM 957 N TYR A 61 -0.714 4.918 9.618 1.00 33.24 N ATOM 958 CA TYR A 61 -1.554 5.142 10.789 1.00 0.11 C ATOM 959 C TYR A 61 -2.596 6.221 10.513 1.00 13.43 C ATOM 960 O TYR A 61 -3.565 6.370 11.258 1.00 20.33 O ATOM 961 CB TYR A 61 -0.695 5.542 11.990 1.00 41.12 C ATOM 962 CG TYR A 61 -0.626 7.036 12.214 1.00 23.21 C ATOM 963 CD1 TYR A 61 0.124 7.850 11.374 1.00 14.43 C ATOM 964 CD2 TYR A 61 -1.311 7.632 13.266 1.00 43.55 C ATOM 965 CE1 TYR A 61 0.190 9.215 11.576 1.00 2.32 C ATOM 966 CE2 TYR A 61 -1.251 8.997 13.474 1.00 30.11 C ATOM 967 CZ TYR A 61 -0.499 9.784 12.627 1.00 21.10 C ATOM 968 OH TYR A 61 -0.436 11.143 12.831 1.00 53.44 O ATOM 0 H TYR A 61 0.269 5.156 9.752 1.00 33.24 H new ATOM 0 HA TYR A 61 -2.073 4.211 11.016 1.00 0.11 H new ATOM 0 HB2 TYR A 61 -1.094 5.067 12.886 1.00 41.12 H new ATOM 0 HB3 TYR A 61 0.315 5.157 11.848 1.00 41.12 H new ATOM 0 HD1 TYR A 61 0.664 7.408 10.550 1.00 14.43 H new ATOM 0 HD2 TYR A 61 -1.900 7.019 13.932 1.00 43.55 H new ATOM 0 HE1 TYR A 61 0.778 9.834 10.914 1.00 2.32 H new ATOM 0 HE2 TYR A 61 -1.790 9.445 14.296 1.00 30.11 H new ATOM 0 HH TYR A 61 -0.306 11.597 11.972 1.00 53.44 H new ATOM 978 N SER A 62 -2.390 6.973 9.436 1.00 20.43 N ATOM 979 CA SER A 62 -3.309 8.041 9.062 1.00 71.00 C ATOM 980 C SER A 62 -4.663 7.473 8.648 1.00 70.42 C ATOM 981 O SER A 62 -5.663 8.189 8.610 1.00 20.45 O ATOM 982 CB SER A 62 -2.721 8.872 7.920 1.00 60.43 C ATOM 983 OG SER A 62 -3.312 10.158 7.868 1.00 54.32 O ATOM 0 H SER A 62 -1.594 6.862 8.807 1.00 20.43 H new ATOM 0 HA SER A 62 -3.454 8.682 9.931 1.00 71.00 H new ATOM 0 HB2 SER A 62 -1.644 8.969 8.054 1.00 60.43 H new ATOM 0 HB3 SER A 62 -2.879 8.357 6.972 1.00 60.43 H new ATOM 0 HG SER A 62 -2.918 10.670 7.131 1.00 54.32 H new ATOM 989 N GLU A 63 -4.685 6.180 8.337 1.00 13.14 N ATOM 990 CA GLU A 63 -5.916 5.515 7.925 1.00 42.30 C ATOM 991 C GLU A 63 -6.597 4.845 9.115 1.00 71.05 C ATOM 992 O GLU A 63 -7.824 4.804 9.199 1.00 42.34 O ATOM 993 CB GLU A 63 -5.622 4.477 6.840 1.00 1.20 C ATOM 994 CG GLU A 63 -5.451 5.077 5.454 1.00 35.43 C ATOM 995 CD GLU A 63 -5.230 4.023 4.386 1.00 4.23 C ATOM 996 OE1 GLU A 63 -6.156 3.223 4.140 1.00 24.43 O ATOM 997 OE2 GLU A 63 -4.129 4.000 3.796 1.00 0.23 O ATOM 0 H GLU A 63 -3.865 5.573 8.363 1.00 13.14 H new ATOM 0 HA GLU A 63 -6.590 6.271 7.522 1.00 42.30 H new ATOM 0 HB2 GLU A 63 -4.716 3.933 7.106 1.00 1.20 H new ATOM 0 HB3 GLU A 63 -6.434 3.750 6.815 1.00 1.20 H new ATOM 0 HG2 GLU A 63 -6.336 5.663 5.204 1.00 35.43 H new ATOM 0 HG3 GLU A 63 -4.605 5.765 5.461 1.00 35.43 H new ATOM 1004 N ASN A 64 -5.791 4.320 10.032 1.00 72.12 N ATOM 1005 CA ASN A 64 -6.315 3.650 11.216 1.00 35.04 C ATOM 1006 C ASN A 64 -6.679 4.663 12.298 1.00 75.22 C ATOM 1007 O ASN A 64 -7.764 4.606 12.877 1.00 12.25 O ATOM 1008 CB ASN A 64 -5.290 2.653 11.760 1.00 42.20 C ATOM 1009 CG ASN A 64 -4.937 1.578 10.750 1.00 10.12 C ATOM 1010 OD1 ASN A 64 -4.072 1.773 9.896 1.00 22.13 O ATOM 1011 ND2 ASN A 64 -5.608 0.436 10.844 1.00 63.23 N ATOM 0 H ASN A 64 -4.773 4.346 9.978 1.00 72.12 H new ATOM 0 HA ASN A 64 -7.218 3.112 10.928 1.00 35.04 H new ATOM 0 HB2 ASN A 64 -4.385 3.188 12.049 1.00 42.20 H new ATOM 0 HB3 ASN A 64 -5.685 2.185 12.662 1.00 42.20 H new ATOM 0 HD21 ASN A 64 -5.415 -0.324 10.192 1.00 63.23 H new ATOM 0 HD22 ASN A 64 -6.317 0.319 11.568 1.00 63.23 H new ATOM 1018 N LYS A 65 -5.766 5.590 12.564 1.00 25.32 N ATOM 1019 CA LYS A 65 -5.989 6.617 13.574 1.00 12.40 C ATOM 1020 C LYS A 65 -7.275 7.388 13.291 1.00 62.21 C ATOM 1021 O LYS A 65 -7.918 7.897 14.208 1.00 42.31 O ATOM 1022 CB LYS A 65 -4.803 7.583 13.620 1.00 41.11 C ATOM 1023 CG LYS A 65 -4.822 8.623 12.513 1.00 61.12 C ATOM 1024 CD LYS A 65 -5.510 9.901 12.960 1.00 13.44 C ATOM 1025 CE LYS A 65 -4.513 10.905 13.519 1.00 12.01 C ATOM 1026 NZ LYS A 65 -3.692 11.528 12.444 1.00 1.04 N ATOM 0 H LYS A 65 -4.863 5.651 12.093 1.00 25.32 H new ATOM 0 HA LYS A 65 -6.086 6.124 14.541 1.00 12.40 H new ATOM 0 HB2 LYS A 65 -4.796 8.091 14.584 1.00 41.11 H new ATOM 0 HB3 LYS A 65 -3.877 7.012 13.554 1.00 41.11 H new ATOM 0 HG2 LYS A 65 -3.801 8.847 12.206 1.00 61.12 H new ATOM 0 HG3 LYS A 65 -5.336 8.218 11.641 1.00 61.12 H new ATOM 0 HD2 LYS A 65 -6.040 10.344 12.117 1.00 13.44 H new ATOM 0 HD3 LYS A 65 -6.257 9.667 13.719 1.00 13.44 H new ATOM 0 HE2 LYS A 65 -5.048 11.683 14.065 1.00 12.01 H new ATOM 0 HE3 LYS A 65 -3.858 10.407 14.234 1.00 12.01 H new ATOM 0 HZ1 LYS A 65 -2.692 11.279 12.583 1.00 1.04 H new ATOM 0 HZ2 LYS A 65 -4.010 11.179 11.518 1.00 1.04 H new ATOM 0 HZ3 LYS A 65 -3.800 12.562 12.480 1.00 1.04 H new ATOM 1040 N GLU A 66 -7.643 7.467 12.016 1.00 15.11 N ATOM 1041 CA GLU A 66 -8.853 8.175 11.614 1.00 12.10 C ATOM 1042 C GLU A 66 -10.078 7.274 11.739 1.00 71.42 C ATOM 1043 O GLU A 66 -11.212 7.750 11.784 1.00 13.31 O ATOM 1044 CB GLU A 66 -8.722 8.679 10.175 1.00 25.03 C ATOM 1045 CG GLU A 66 -8.666 7.565 9.143 1.00 4.31 C ATOM 1046 CD GLU A 66 -8.890 8.068 7.730 1.00 25.20 C ATOM 1047 OE1 GLU A 66 -8.982 9.299 7.545 1.00 12.23 O ATOM 1048 OE2 GLU A 66 -8.972 7.229 6.809 1.00 62.43 O ATOM 0 H GLU A 66 -7.122 7.050 11.245 1.00 15.11 H new ATOM 0 HA GLU A 66 -8.981 9.028 12.280 1.00 12.10 H new ATOM 0 HB2 GLU A 66 -9.566 9.330 9.949 1.00 25.03 H new ATOM 0 HB3 GLU A 66 -7.820 9.286 10.092 1.00 25.03 H new ATOM 0 HG2 GLU A 66 -7.696 7.071 9.199 1.00 4.31 H new ATOM 0 HG3 GLU A 66 -9.420 6.815 9.382 1.00 4.31 H new ATOM 1055 N LYS A 67 -9.841 5.967 11.793 1.00 2.41 N ATOM 1056 CA LYS A 67 -10.923 4.997 11.913 1.00 4.12 C ATOM 1057 C LYS A 67 -11.464 4.960 13.339 1.00 72.33 C ATOM 1058 O LYS A 67 -12.645 5.219 13.571 1.00 10.43 O ATOM 1059 CB LYS A 67 -10.435 3.605 11.505 1.00 5.31 C ATOM 1060 CG LYS A 67 -10.248 3.441 10.007 1.00 53.24 C ATOM 1061 CD LYS A 67 -11.475 2.824 9.356 1.00 32.15 C ATOM 1062 CE LYS A 67 -11.425 1.304 9.401 1.00 3.44 C ATOM 1063 NZ LYS A 67 -10.903 0.729 8.131 1.00 75.04 N ATOM 0 H LYS A 67 -8.908 5.555 11.755 1.00 2.41 H new ATOM 0 HA LYS A 67 -11.728 5.303 11.245 1.00 4.12 H new ATOM 0 HB2 LYS A 67 -9.489 3.400 12.005 1.00 5.31 H new ATOM 0 HB3 LYS A 67 -11.150 2.861 11.857 1.00 5.31 H new ATOM 0 HG2 LYS A 67 -10.046 4.413 9.556 1.00 53.24 H new ATOM 0 HG3 LYS A 67 -9.378 2.813 9.815 1.00 53.24 H new ATOM 0 HD2 LYS A 67 -12.373 3.175 9.864 1.00 32.15 H new ATOM 0 HD3 LYS A 67 -11.545 3.156 8.320 1.00 32.15 H new ATOM 0 HE2 LYS A 67 -10.793 0.986 10.230 1.00 3.44 H new ATOM 0 HE3 LYS A 67 -12.424 0.913 9.593 1.00 3.44 H new ATOM 0 HZ1 LYS A 67 -10.884 -0.308 8.201 1.00 75.04 H new ATOM 0 HZ2 LYS A 67 -11.520 1.012 7.343 1.00 75.04 H new ATOM 0 HZ3 LYS A 67 -9.940 1.082 7.960 1.00 75.04 H new ATOM 1077 N TYR A 68 -10.594 4.637 14.289 1.00 60.21 N ATOM 1078 CA TYR A 68 -10.986 4.565 15.692 1.00 64.25 C ATOM 1079 C TYR A 68 -10.024 5.362 16.567 1.00 10.32 C ATOM 1080 O TYR A 68 -10.373 5.781 17.670 1.00 3.12 O ATOM 1081 CB TYR A 68 -11.028 3.108 16.157 1.00 52.32 C ATOM 1082 CG TYR A 68 -11.078 2.111 15.021 1.00 2.13 C ATOM 1083 CD1 TYR A 68 -12.280 1.794 14.402 1.00 75.32 C ATOM 1084 CD2 TYR A 68 -9.923 1.486 14.569 1.00 62.35 C ATOM 1085 CE1 TYR A 68 -12.331 0.883 13.364 1.00 20.34 C ATOM 1086 CE2 TYR A 68 -9.964 0.575 13.531 1.00 63.31 C ATOM 1087 CZ TYR A 68 -11.170 0.276 12.932 1.00 1.43 C ATOM 1088 OH TYR A 68 -11.215 -0.632 11.899 1.00 0.34 O ATOM 0 H TYR A 68 -9.613 4.421 14.114 1.00 60.21 H new ATOM 0 HA TYR A 68 -11.981 4.999 15.788 1.00 64.25 H new ATOM 0 HB2 TYR A 68 -10.149 2.905 16.769 1.00 52.32 H new ATOM 0 HB3 TYR A 68 -11.900 2.964 16.794 1.00 52.32 H new ATOM 0 HD1 TYR A 68 -13.191 2.268 14.738 1.00 75.32 H new ATOM 0 HD2 TYR A 68 -8.977 1.716 15.037 1.00 62.35 H new ATOM 0 HE1 TYR A 68 -13.274 0.648 12.894 1.00 20.34 H new ATOM 0 HE2 TYR A 68 -9.056 0.099 13.190 1.00 63.31 H new ATOM 0 HH TYR A 68 -10.312 -0.966 11.717 1.00 0.34 H new ATOM 1098 N GLY A 69 -8.810 5.569 16.066 1.00 61.02 N ATOM 1099 CA GLY A 69 -7.816 6.316 16.814 1.00 63.21 C ATOM 1100 C GLY A 69 -7.205 5.503 17.938 1.00 1.12 C ATOM 1101 O GLY A 69 -6.158 5.863 18.478 1.00 54.33 O ATOM 0 H GLY A 69 -8.497 5.233 15.155 1.00 61.02 H new ATOM 0 HA2 GLY A 69 -7.027 6.644 16.137 1.00 63.21 H new ATOM 0 HA3 GLY A 69 -8.276 7.214 17.227 1.00 63.21 H new ATOM 1105 N LYS A 70 -7.860 4.403 18.295 1.00 40.53 N ATOM 1106 CA LYS A 70 -7.376 3.536 19.363 1.00 54.54 C ATOM 1107 C LYS A 70 -7.800 2.091 19.124 1.00 73.22 C ATOM 1108 O LYS A 70 -8.731 1.808 18.369 1.00 10.20 O ATOM 1109 CB LYS A 70 -7.905 4.017 20.716 1.00 4.02 C ATOM 1110 CG LYS A 70 -9.302 4.609 20.649 1.00 62.24 C ATOM 1111 CD LYS A 70 -10.003 4.538 21.995 1.00 73.55 C ATOM 1112 CE LYS A 70 -9.830 5.827 22.783 1.00 63.24 C ATOM 1113 NZ LYS A 70 -8.431 5.998 23.266 1.00 74.44 N ATOM 0 H LYS A 70 -8.728 4.091 17.860 1.00 40.53 H new ATOM 0 HA LYS A 70 -6.287 3.580 19.369 1.00 54.54 H new ATOM 0 HB2 LYS A 70 -7.908 3.180 21.414 1.00 4.02 H new ATOM 0 HB3 LYS A 70 -7.222 4.765 21.118 1.00 4.02 H new ATOM 0 HG2 LYS A 70 -9.243 5.647 20.323 1.00 62.24 H new ATOM 0 HG3 LYS A 70 -9.890 4.074 19.903 1.00 62.24 H new ATOM 0 HD2 LYS A 70 -11.065 4.343 21.843 1.00 73.55 H new ATOM 0 HD3 LYS A 70 -9.604 3.702 22.570 1.00 73.55 H new ATOM 0 HE2 LYS A 70 -10.104 6.676 22.156 1.00 63.24 H new ATOM 0 HE3 LYS A 70 -10.511 5.826 23.634 1.00 63.24 H new ATOM 0 HZ1 LYS A 70 -8.412 6.700 24.033 1.00 74.44 H new ATOM 0 HZ2 LYS A 70 -8.072 5.088 23.620 1.00 74.44 H new ATOM 0 HZ3 LYS A 70 -7.831 6.326 22.482 1.00 74.44 H new ATOM 1127 N PRO A 71 -7.104 1.153 19.782 1.00 22.52 N ATOM 1128 CA PRO A 71 -7.392 -0.280 19.659 1.00 41.52 C ATOM 1129 C PRO A 71 -8.715 -0.663 20.313 1.00 61.23 C ATOM 1130 O PRO A 71 -9.101 -0.095 21.333 1.00 12.01 O ATOM 1131 CB PRO A 71 -6.222 -0.941 20.391 1.00 63.10 C ATOM 1132 CG PRO A 71 -5.752 0.087 21.361 1.00 2.30 C ATOM 1133 CD PRO A 71 -5.982 1.417 20.698 1.00 2.33 C ATOM 0 HA PRO A 71 -7.490 -0.589 18.618 1.00 41.52 H new ATOM 0 HB2 PRO A 71 -6.538 -1.851 20.901 1.00 63.10 H new ATOM 0 HB3 PRO A 71 -5.430 -1.222 19.698 1.00 63.10 H new ATOM 0 HG2 PRO A 71 -6.302 0.018 22.300 1.00 2.30 H new ATOM 0 HG3 PRO A 71 -4.698 -0.054 21.598 1.00 2.30 H new ATOM 0 HD2 PRO A 71 -6.230 2.191 21.425 1.00 2.33 H new ATOM 0 HD3 PRO A 71 -5.096 1.757 20.161 1.00 2.33 H new ATOM 1141 N ASN A 72 -9.405 -1.631 19.718 1.00 22.22 N ATOM 1142 CA ASN A 72 -10.685 -2.091 20.244 1.00 53.33 C ATOM 1143 C ASN A 72 -10.509 -3.358 21.075 1.00 0.54 C ATOM 1144 O ASN A 72 -10.868 -3.396 22.252 1.00 33.14 O ATOM 1145 CB ASN A 72 -11.666 -2.351 19.099 1.00 71.33 C ATOM 1146 CG ASN A 72 -12.754 -1.298 19.018 1.00 1.41 C ATOM 1147 OD1 ASN A 72 -12.925 -0.644 17.989 1.00 11.21 O ATOM 1148 ND2 ASN A 72 -13.495 -1.128 20.107 1.00 71.22 N ATOM 0 H ASN A 72 -9.099 -2.112 18.872 1.00 22.22 H new ATOM 0 HA ASN A 72 -11.087 -1.309 20.888 1.00 53.33 H new ATOM 0 HB2 ASN A 72 -11.120 -2.378 18.156 1.00 71.33 H new ATOM 0 HB3 ASN A 72 -12.123 -3.332 19.231 1.00 71.33 H new ATOM 0 HD21 ASN A 72 -14.241 -0.433 20.113 1.00 71.22 H new ATOM 0 HD22 ASN A 72 -13.318 -1.693 20.938 1.00 71.22 H new ATOM 1155 N LYS A 73 -9.953 -4.393 20.456 1.00 42.24 N ATOM 1156 CA LYS A 73 -9.726 -5.662 21.137 1.00 10.43 C ATOM 1157 C LYS A 73 -8.242 -6.013 21.153 1.00 61.43 C ATOM 1158 O LYS A 73 -7.871 -7.185 21.083 1.00 74.31 O ATOM 1159 CB LYS A 73 -10.519 -6.779 20.456 1.00 62.23 C ATOM 1160 CG LYS A 73 -10.791 -7.970 21.359 1.00 44.14 C ATOM 1161 CD LYS A 73 -12.272 -8.107 21.670 1.00 5.12 C ATOM 1162 CE LYS A 73 -12.695 -9.566 21.732 1.00 34.33 C ATOM 1163 NZ LYS A 73 -13.725 -9.889 20.706 1.00 13.12 N ATOM 0 H LYS A 73 -9.651 -4.378 19.482 1.00 42.24 H new ATOM 0 HA LYS A 73 -10.068 -5.559 22.167 1.00 10.43 H new ATOM 0 HB2 LYS A 73 -11.469 -6.376 20.104 1.00 62.23 H new ATOM 0 HB3 LYS A 73 -9.971 -7.118 19.577 1.00 62.23 H new ATOM 0 HG2 LYS A 73 -10.433 -8.881 20.879 1.00 44.14 H new ATOM 0 HG3 LYS A 73 -10.232 -7.859 22.288 1.00 44.14 H new ATOM 0 HD2 LYS A 73 -12.491 -7.623 22.621 1.00 5.12 H new ATOM 0 HD3 LYS A 73 -12.854 -7.590 20.907 1.00 5.12 H new ATOM 0 HE2 LYS A 73 -11.823 -10.203 21.585 1.00 34.33 H new ATOM 0 HE3 LYS A 73 -13.088 -9.788 22.724 1.00 34.33 H new ATOM 0 HZ1 LYS A 73 -13.987 -10.893 20.781 1.00 13.12 H new ATOM 0 HZ2 LYS A 73 -14.567 -9.299 20.862 1.00 13.12 H new ATOM 0 HZ3 LYS A 73 -13.341 -9.701 19.758 1.00 13.12 H new ATOM 1177 N ARG A 74 -7.397 -4.992 21.246 1.00 52.40 N ATOM 1178 CA ARG A 74 -5.954 -5.194 21.271 1.00 45.40 C ATOM 1179 C ARG A 74 -5.364 -4.742 22.604 1.00 34.32 C ATOM 1180 O ARG A 74 -5.378 -3.556 22.932 1.00 41.53 O ATOM 1181 CB ARG A 74 -5.290 -4.430 20.123 1.00 13.35 C ATOM 1182 CG ARG A 74 -5.790 -4.841 18.748 1.00 33.34 C ATOM 1183 CD ARG A 74 -7.060 -4.095 18.371 1.00 14.11 C ATOM 1184 NE ARG A 74 -6.949 -3.450 17.066 1.00 45.53 N ATOM 1185 CZ ARG A 74 -7.996 -3.076 16.338 1.00 25.33 C ATOM 1186 NH1 ARG A 74 -9.226 -3.283 16.787 1.00 40.12 N ATOM 1187 NH2 ARG A 74 -7.813 -2.495 15.160 1.00 43.51 N ATOM 0 H ARG A 74 -7.687 -4.016 21.305 1.00 52.40 H new ATOM 0 HA ARG A 74 -5.760 -6.260 21.150 1.00 45.40 H new ATOM 0 HB2 ARG A 74 -5.464 -3.363 20.259 1.00 13.35 H new ATOM 0 HB3 ARG A 74 -4.212 -4.586 20.170 1.00 13.35 H new ATOM 0 HG2 ARG A 74 -5.017 -4.644 18.005 1.00 33.34 H new ATOM 0 HG3 ARG A 74 -5.980 -5.914 18.734 1.00 33.34 H new ATOM 0 HD2 ARG A 74 -7.899 -4.790 18.361 1.00 14.11 H new ATOM 0 HD3 ARG A 74 -7.277 -3.343 19.130 1.00 14.11 H new ATOM 0 HE ARG A 74 -6.016 -3.277 16.692 1.00 45.53 H new ATOM 0 HH11 ARG A 74 -9.370 -3.730 17.693 1.00 40.12 H new ATOM 0 HH12 ARG A 74 -10.028 -2.995 16.227 1.00 40.12 H new ATOM 0 HH21 ARG A 74 -6.868 -2.335 14.812 1.00 43.51 H new ATOM 0 HH22 ARG A 74 -8.617 -2.208 14.602 1.00 43.51 H new ATOM 1201 N LYS A 75 -4.848 -5.697 23.370 1.00 21.14 N ATOM 1202 CA LYS A 75 -4.253 -5.400 24.668 1.00 40.41 C ATOM 1203 C LYS A 75 -3.215 -4.288 24.549 1.00 53.14 C ATOM 1204 O LYS A 75 -2.570 -4.137 23.512 1.00 2.24 O ATOM 1205 CB LYS A 75 -3.605 -6.656 25.255 1.00 11.40 C ATOM 1206 CG LYS A 75 -2.188 -6.896 24.763 1.00 13.22 C ATOM 1207 CD LYS A 75 -2.152 -7.138 23.264 1.00 71.23 C ATOM 1208 CE LYS A 75 -2.898 -8.409 22.886 1.00 13.33 C ATOM 1209 NZ LYS A 75 -2.308 -9.612 23.535 1.00 62.23 N ATOM 0 H LYS A 75 -4.830 -6.684 23.114 1.00 21.14 H new ATOM 0 HA LYS A 75 -5.047 -5.063 25.335 1.00 40.41 H new ATOM 0 HB2 LYS A 75 -3.594 -6.575 26.342 1.00 11.40 H new ATOM 0 HB3 LYS A 75 -4.219 -7.522 25.006 1.00 11.40 H new ATOM 0 HG2 LYS A 75 -1.566 -6.035 25.009 1.00 13.22 H new ATOM 0 HG3 LYS A 75 -1.762 -7.755 25.282 1.00 13.22 H new ATOM 0 HD2 LYS A 75 -2.595 -6.287 22.746 1.00 71.23 H new ATOM 0 HD3 LYS A 75 -1.117 -7.210 22.931 1.00 71.23 H new ATOM 0 HE2 LYS A 75 -3.944 -8.316 23.177 1.00 13.33 H new ATOM 0 HE3 LYS A 75 -2.878 -8.534 21.803 1.00 13.33 H new ATOM 0 HZ1 LYS A 75 -2.680 -10.470 23.079 1.00 62.23 H new ATOM 0 HZ2 LYS A 75 -1.273 -9.588 23.435 1.00 62.23 H new ATOM 0 HZ3 LYS A 75 -2.558 -9.620 24.544 1.00 62.23 H new ATOM 1223 N GLY A 76 -3.059 -3.513 25.618 1.00 54.44 N ATOM 1224 CA GLY A 76 -2.098 -2.426 25.612 1.00 43.12 C ATOM 1225 C GLY A 76 -2.736 -1.088 25.293 1.00 31.45 C ATOM 1226 O GLY A 76 -2.042 -0.084 25.130 1.00 34.41 O ATOM 0 H GLY A 76 -3.581 -3.619 26.488 1.00 54.44 H new ATOM 0 HA2 GLY A 76 -1.612 -2.370 26.586 1.00 43.12 H new ATOM 0 HA3 GLY A 76 -1.320 -2.638 24.879 1.00 43.12 H new ATOM 1230 N PHE A 77 -4.062 -1.074 25.203 1.00 2.24 N ATOM 1231 CA PHE A 77 -4.794 0.150 24.900 1.00 50.15 C ATOM 1232 C PHE A 77 -4.513 1.226 25.945 1.00 73.41 C ATOM 1233 O PHE A 77 -4.409 0.936 27.136 1.00 14.10 O ATOM 1234 CB PHE A 77 -6.296 -0.132 24.833 1.00 73.33 C ATOM 1235 CG PHE A 77 -6.864 -0.664 26.118 1.00 51.42 C ATOM 1236 CD1 PHE A 77 -7.211 0.198 27.146 1.00 52.12 C ATOM 1237 CD2 PHE A 77 -7.051 -2.025 26.298 1.00 52.44 C ATOM 1238 CE1 PHE A 77 -7.733 -0.288 28.330 1.00 60.45 C ATOM 1239 CE2 PHE A 77 -7.573 -2.517 27.479 1.00 11.01 C ATOM 1240 CZ PHE A 77 -7.915 -1.647 28.496 1.00 73.41 C ATOM 0 H PHE A 77 -4.651 -1.896 25.336 1.00 2.24 H new ATOM 0 HA PHE A 77 -4.456 0.514 23.930 1.00 50.15 H new ATOM 0 HB2 PHE A 77 -6.819 0.787 24.567 1.00 73.33 H new ATOM 0 HB3 PHE A 77 -6.488 -0.850 24.036 1.00 73.33 H new ATOM 0 HD1 PHE A 77 -7.072 1.262 27.021 1.00 52.12 H new ATOM 0 HD2 PHE A 77 -6.786 -2.709 25.506 1.00 52.44 H new ATOM 0 HE1 PHE A 77 -7.998 0.394 29.124 1.00 60.45 H new ATOM 0 HE2 PHE A 77 -7.713 -3.580 27.607 1.00 11.01 H new ATOM 0 HZ PHE A 77 -8.324 -2.029 29.420 1.00 73.41 H new ATOM 1250 N ASN A 78 -4.391 2.468 25.489 1.00 51.00 N ATOM 1251 CA ASN A 78 -4.121 3.588 26.384 1.00 71.52 C ATOM 1252 C ASN A 78 -2.768 3.423 27.068 1.00 24.33 C ATOM 1253 O ASN A 78 -2.522 4.001 28.126 1.00 10.02 O ATOM 1254 CB ASN A 78 -5.226 3.705 27.436 1.00 71.34 C ATOM 1255 CG ASN A 78 -5.873 5.076 27.445 1.00 43.44 C ATOM 1256 OD1 ASN A 78 -6.099 5.661 28.504 1.00 4.40 O ATOM 1257 ND2 ASN A 78 -6.174 5.596 26.260 1.00 0.13 N ATOM 0 H ASN A 78 -4.475 2.725 24.505 1.00 51.00 H new ATOM 0 HA ASN A 78 -4.098 4.500 25.788 1.00 71.52 H new ATOM 0 HB2 ASN A 78 -5.987 2.948 27.245 1.00 71.34 H new ATOM 0 HB3 ASN A 78 -4.809 3.496 28.421 1.00 71.34 H new ATOM 0 HD21 ASN A 78 -6.611 6.516 26.203 1.00 0.13 H new ATOM 0 HD22 ASN A 78 -5.968 5.075 25.407 1.00 0.13 H new ATOM 1264 N GLU A 79 -1.893 2.630 26.456 1.00 55.12 N ATOM 1265 CA GLU A 79 -0.565 2.389 27.007 1.00 40.52 C ATOM 1266 C GLU A 79 0.518 2.773 26.003 1.00 41.23 C ATOM 1267 O GLU A 79 1.332 1.942 25.603 1.00 72.33 O ATOM 1268 CB GLU A 79 -0.411 0.919 27.402 1.00 13.44 C ATOM 1269 CG GLU A 79 -1.595 0.372 28.182 1.00 72.24 C ATOM 1270 CD GLU A 79 -1.185 -0.263 29.496 1.00 21.40 C ATOM 1271 OE1 GLU A 79 -0.636 -1.385 29.466 1.00 33.14 O ATOM 1272 OE2 GLU A 79 -1.412 0.360 30.554 1.00 55.14 O ATOM 0 H GLU A 79 -2.080 2.144 25.579 1.00 55.12 H new ATOM 0 HA GLU A 79 -0.450 3.010 27.895 1.00 40.52 H new ATOM 0 HB2 GLU A 79 -0.273 0.322 26.501 1.00 13.44 H new ATOM 0 HB3 GLU A 79 0.492 0.805 28.001 1.00 13.44 H new ATOM 0 HG2 GLU A 79 -2.301 1.179 28.378 1.00 72.24 H new ATOM 0 HG3 GLU A 79 -2.116 -0.366 27.573 1.00 72.24 H new ATOM 1279 N GLY A 80 0.521 4.040 25.599 1.00 53.21 N ATOM 1280 CA GLY A 80 1.507 4.513 24.645 1.00 72.43 C ATOM 1281 C GLY A 80 0.882 4.952 23.335 1.00 3.54 C ATOM 1282 O GLY A 80 1.587 5.342 22.403 1.00 15.40 O ATOM 0 H GLY A 80 -0.142 4.747 25.916 1.00 53.21 H new ATOM 0 HA2 GLY A 80 2.057 5.348 25.079 1.00 72.43 H new ATOM 0 HA3 GLY A 80 2.230 3.721 24.452 1.00 72.43 H new ATOM 1286 N LEU A 81 -0.443 4.889 23.263 1.00 24.10 N ATOM 1287 CA LEU A 81 -1.163 5.282 22.057 1.00 43.51 C ATOM 1288 C LEU A 81 -1.045 6.784 21.818 1.00 1.40 C ATOM 1289 O LEU A 81 -0.962 7.236 20.676 1.00 3.41 O ATOM 1290 CB LEU A 81 -2.636 4.886 22.167 1.00 60.15 C ATOM 1291 CG LEU A 81 -3.542 5.348 21.025 1.00 71.33 C ATOM 1292 CD1 LEU A 81 -3.722 4.236 20.003 1.00 34.32 C ATOM 1293 CD2 LEU A 81 -4.890 5.802 21.564 1.00 13.53 C ATOM 0 H LEU A 81 -1.040 4.570 24.025 1.00 24.10 H new ATOM 0 HA LEU A 81 -0.716 4.761 21.210 1.00 43.51 H new ATOM 0 HB2 LEU A 81 -2.695 3.800 22.235 1.00 60.15 H new ATOM 0 HB3 LEU A 81 -3.030 5.286 23.101 1.00 60.15 H new ATOM 0 HG LEU A 81 -3.067 6.195 20.530 1.00 71.33 H new ATOM 0 HD11 LEU A 81 -4.370 4.583 19.198 1.00 34.32 H new ATOM 0 HD12 LEU A 81 -2.751 3.958 19.593 1.00 34.32 H new ATOM 0 HD13 LEU A 81 -4.175 3.369 20.484 1.00 34.32 H new ATOM 0 HD21 LEU A 81 -5.522 6.127 20.737 1.00 13.53 H new ATOM 0 HD22 LEU A 81 -5.371 4.974 22.084 1.00 13.53 H new ATOM 0 HD23 LEU A 81 -4.744 6.631 22.257 1.00 13.53 H new ATOM 1305 N TRP A 82 -1.036 7.551 22.902 1.00 15.41 N ATOM 1306 CA TRP A 82 -0.926 9.003 22.810 1.00 34.13 C ATOM 1307 C TRP A 82 0.503 9.421 22.486 1.00 64.15 C ATOM 1308 O TRP A 82 0.754 10.565 22.107 1.00 74.41 O ATOM 1309 CB TRP A 82 -1.376 9.653 24.120 1.00 61.21 C ATOM 1310 CG TRP A 82 -1.090 11.123 24.182 1.00 21.33 C ATOM 1311 CD1 TRP A 82 -1.916 12.136 23.787 1.00 62.11 C ATOM 1312 CD2 TRP A 82 0.106 11.743 24.667 1.00 11.22 C ATOM 1313 NE1 TRP A 82 -1.305 13.349 23.997 1.00 55.03 N ATOM 1314 CE2 TRP A 82 -0.065 13.135 24.537 1.00 41.42 C ATOM 1315 CE3 TRP A 82 1.303 11.259 25.201 1.00 61.33 C ATOM 1316 CZ2 TRP A 82 0.918 14.045 24.919 1.00 33.44 C ATOM 1317 CZ3 TRP A 82 2.277 12.162 25.580 1.00 44.33 C ATOM 1318 CH2 TRP A 82 2.080 13.542 25.439 1.00 51.45 C ATOM 0 H TRP A 82 -1.103 7.192 23.855 1.00 15.41 H new ATOM 0 HA TRP A 82 -1.575 9.341 22.003 1.00 34.13 H new ATOM 0 HB2 TRP A 82 -2.447 9.493 24.248 1.00 61.21 H new ATOM 0 HB3 TRP A 82 -0.878 9.158 24.953 1.00 61.21 H new ATOM 0 HD1 TRP A 82 -2.904 12.004 23.371 1.00 62.11 H new ATOM 0 HE1 TRP A 82 -1.710 14.261 23.785 1.00 55.03 H new ATOM 0 HE3 TRP A 82 1.464 10.197 25.315 1.00 61.33 H new ATOM 0 HZ2 TRP A 82 0.769 15.109 24.809 1.00 33.44 H new ATOM 0 HZ3 TRP A 82 3.207 11.798 25.992 1.00 44.33 H new ATOM 0 HH2 TRP A 82 2.860 14.222 25.747 1.00 51.45 H new ATOM 1329 N GLU A 83 1.437 8.487 22.636 1.00 63.20 N ATOM 1330 CA GLU A 83 2.842 8.761 22.359 1.00 64.25 C ATOM 1331 C GLU A 83 3.120 8.714 20.859 1.00 40.13 C ATOM 1332 O GLU A 83 4.033 9.377 20.365 1.00 73.00 O ATOM 1333 CB GLU A 83 3.735 7.752 23.085 1.00 12.31 C ATOM 1334 CG GLU A 83 3.972 8.092 24.547 1.00 32.21 C ATOM 1335 CD GLU A 83 4.273 6.867 25.389 1.00 51.10 C ATOM 1336 OE1 GLU A 83 4.318 5.755 24.822 1.00 4.03 O ATOM 1337 OE2 GLU A 83 4.463 7.020 26.614 1.00 53.35 O ATOM 0 H GLU A 83 1.246 7.535 22.948 1.00 63.20 H new ATOM 0 HA GLU A 83 3.068 9.763 22.723 1.00 64.25 H new ATOM 0 HB2 GLU A 83 3.280 6.764 23.019 1.00 12.31 H new ATOM 0 HB3 GLU A 83 4.696 7.695 22.573 1.00 12.31 H new ATOM 0 HG2 GLU A 83 4.803 8.794 24.623 1.00 32.21 H new ATOM 0 HG3 GLU A 83 3.092 8.596 24.946 1.00 32.21 H new ATOM 1344 N ILE A 84 2.327 7.926 20.141 1.00 51.24 N ATOM 1345 CA ILE A 84 2.487 7.793 18.698 1.00 55.21 C ATOM 1346 C ILE A 84 2.235 9.121 17.992 1.00 10.42 C ATOM 1347 O ILE A 84 2.642 9.314 16.846 1.00 33.02 O ATOM 1348 CB ILE A 84 1.533 6.730 18.122 1.00 70.14 C ATOM 1349 CG1 ILE A 84 2.018 6.271 16.745 1.00 53.22 C ATOM 1350 CG2 ILE A 84 0.117 7.280 18.035 1.00 61.43 C ATOM 1351 CD1 ILE A 84 1.126 5.229 16.106 1.00 12.54 C ATOM 0 H ILE A 84 1.568 7.370 20.535 1.00 51.24 H new ATOM 0 HA ILE A 84 3.516 7.480 18.522 1.00 55.21 H new ATOM 0 HB ILE A 84 1.526 5.869 18.790 1.00 70.14 H new ATOM 0 HG12 ILE A 84 2.083 7.136 16.085 1.00 53.22 H new ATOM 0 HG13 ILE A 84 3.026 5.866 16.840 1.00 53.22 H new ATOM 0 HG21 ILE A 84 -0.545 6.517 17.626 1.00 61.43 H new ATOM 0 HG22 ILE A 84 -0.226 7.562 19.031 1.00 61.43 H new ATOM 0 HG23 ILE A 84 0.106 8.156 17.386 1.00 61.43 H new ATOM 0 HD11 ILE A 84 1.531 4.951 15.133 1.00 12.54 H new ATOM 0 HD12 ILE A 84 1.080 4.348 16.746 1.00 12.54 H new ATOM 0 HD13 ILE A 84 0.123 5.637 15.979 1.00 12.54 H new ATOM 1363 N ASP A 85 1.564 10.035 18.685 1.00 73.14 N ATOM 1364 CA ASP A 85 1.260 11.347 18.126 1.00 41.23 C ATOM 1365 C ASP A 85 1.972 12.448 18.906 1.00 65.05 C ATOM 1366 O ASP A 85 1.753 13.634 18.665 1.00 40.24 O ATOM 1367 CB ASP A 85 -0.249 11.593 18.136 1.00 35.22 C ATOM 1368 CG ASP A 85 -0.690 12.536 17.034 1.00 33.20 C ATOM 1369 OD1 ASP A 85 0.152 12.886 16.181 1.00 72.50 O ATOM 1370 OD2 ASP A 85 -1.877 12.925 17.025 1.00 72.21 O ATOM 0 H ASP A 85 1.220 9.891 19.635 1.00 73.14 H new ATOM 0 HA ASP A 85 1.616 11.367 17.096 1.00 41.23 H new ATOM 0 HB2 ASP A 85 -0.770 10.642 18.026 1.00 35.22 H new ATOM 0 HB3 ASP A 85 -0.540 12.006 19.102 1.00 35.22 H new ATOM 1375 N ASN A 86 2.826 12.046 19.842 1.00 73.41 N ATOM 1376 CA ASN A 86 3.569 12.998 20.659 1.00 42.14 C ATOM 1377 C ASN A 86 5.012 12.540 20.850 1.00 11.34 C ATOM 1378 O ASN A 86 5.942 13.153 20.329 1.00 65.12 O ATOM 1379 CB ASN A 86 2.892 13.172 22.020 1.00 43.04 C ATOM 1380 CG ASN A 86 1.578 13.921 21.920 1.00 13.40 C ATOM 1381 OD1 ASN A 86 1.495 15.101 22.263 1.00 63.02 O ATOM 1382 ND2 ASN A 86 0.541 13.238 21.449 1.00 63.31 N ATOM 0 H ASN A 86 3.020 11.067 20.053 1.00 73.41 H new ATOM 0 HA ASN A 86 3.576 13.957 20.140 1.00 42.14 H new ATOM 0 HB2 ASN A 86 2.716 12.192 22.463 1.00 43.04 H new ATOM 0 HB3 ASN A 86 3.563 13.709 22.691 1.00 43.04 H new ATOM 0 HD21 ASN A 86 -0.369 13.690 21.360 1.00 63.31 H new ATOM 0 HD22 ASN A 86 0.655 12.262 21.176 1.00 63.31 H new ATOM 1389 N ASN A 87 5.189 11.459 21.602 1.00 33.41 N ATOM 1390 CA ASN A 87 6.518 10.918 21.863 1.00 10.20 C ATOM 1391 C ASN A 87 6.693 9.558 21.195 1.00 33.43 C ATOM 1392 O ASN A 87 6.690 8.513 21.847 1.00 1.35 O ATOM 1393 CB ASN A 87 6.754 10.793 23.370 1.00 51.54 C ATOM 1394 CG ASN A 87 8.177 10.387 23.700 1.00 1.33 C ATOM 1395 OD1 ASN A 87 9.085 10.545 22.884 1.00 40.10 O ATOM 1396 ND2 ASN A 87 8.378 9.861 24.903 1.00 74.33 N ATOM 0 H ASN A 87 4.429 10.940 22.042 1.00 33.41 H new ATOM 0 HA ASN A 87 7.252 11.606 21.443 1.00 10.20 H new ATOM 0 HB2 ASN A 87 6.530 11.745 23.850 1.00 51.54 H new ATOM 0 HB3 ASN A 87 6.064 10.057 23.783 1.00 51.54 H new ATOM 0 HD21 ASN A 87 9.315 9.570 25.182 1.00 74.33 H new ATOM 0 HD22 ASN A 87 7.596 9.749 25.548 1.00 74.33 H new ATOM 1403 N PRO A 88 6.849 9.568 19.863 1.00 31.11 N ATOM 1404 CA PRO A 88 7.029 8.343 19.078 1.00 41.43 C ATOM 1405 C PRO A 88 8.382 7.687 19.330 1.00 42.05 C ATOM 1406 O PRO A 88 8.643 6.578 18.862 1.00 50.32 O ATOM 1407 CB PRO A 88 6.933 8.833 17.631 1.00 63.15 C ATOM 1408 CG PRO A 88 7.336 10.266 17.688 1.00 14.20 C ATOM 1409 CD PRO A 88 6.862 10.776 19.021 1.00 22.12 C ATOM 0 HA PRO A 88 6.292 7.582 19.335 1.00 41.43 H new ATOM 0 HB2 PRO A 88 7.591 8.263 16.976 1.00 63.15 H new ATOM 0 HB3 PRO A 88 5.921 8.722 17.242 1.00 63.15 H new ATOM 0 HG2 PRO A 88 8.417 10.372 17.591 1.00 14.20 H new ATOM 0 HG3 PRO A 88 6.886 10.831 16.871 1.00 14.20 H new ATOM 0 HD2 PRO A 88 7.531 11.538 19.421 1.00 22.12 H new ATOM 0 HD3 PRO A 88 5.872 11.227 18.950 1.00 22.12 H new ATOM 1417 N LYS A 89 9.241 8.378 20.072 1.00 73.11 N ATOM 1418 CA LYS A 89 10.567 7.862 20.388 1.00 3.02 C ATOM 1419 C LYS A 89 10.709 7.607 21.885 1.00 20.53 C ATOM 1420 O LYS A 89 11.799 7.725 22.445 1.00 0.40 O ATOM 1421 CB LYS A 89 11.644 8.846 19.924 1.00 74.22 C ATOM 1422 CG LYS A 89 12.729 8.204 19.077 1.00 3.41 C ATOM 1423 CD LYS A 89 13.391 9.217 18.158 1.00 52.33 C ATOM 1424 CE LYS A 89 14.212 10.229 18.942 1.00 10.21 C ATOM 1425 NZ LYS A 89 15.515 9.661 19.386 1.00 11.22 N ATOM 0 H LYS A 89 9.042 9.298 20.466 1.00 73.11 H new ATOM 0 HA LYS A 89 10.696 6.916 19.862 1.00 3.02 H new ATOM 0 HB2 LYS A 89 11.172 9.645 19.351 1.00 74.22 H new ATOM 0 HB3 LYS A 89 12.103 9.308 20.798 1.00 74.22 H new ATOM 0 HG2 LYS A 89 13.480 7.755 19.726 1.00 3.41 H new ATOM 0 HG3 LYS A 89 12.299 7.398 18.482 1.00 3.41 H new ATOM 0 HD2 LYS A 89 14.034 8.699 17.447 1.00 52.33 H new ATOM 0 HD3 LYS A 89 12.628 9.737 17.578 1.00 52.33 H new ATOM 0 HE2 LYS A 89 14.391 11.109 18.324 1.00 10.21 H new ATOM 0 HE3 LYS A 89 13.645 10.561 19.812 1.00 10.21 H new ATOM 0 HZ1 LYS A 89 16.045 10.381 19.917 1.00 11.22 H new ATOM 0 HZ2 LYS A 89 15.344 8.837 19.997 1.00 11.22 H new ATOM 0 HZ3 LYS A 89 16.067 9.368 18.555 1.00 11.22 H new ATOM 1439 N VAL A 90 9.600 7.254 22.528 1.00 25.44 N ATOM 1440 CA VAL A 90 9.602 6.979 23.960 1.00 20.42 C ATOM 1441 C VAL A 90 10.548 5.832 24.299 1.00 43.24 C ATOM 1442 O VAL A 90 10.978 5.684 25.443 1.00 74.40 O ATOM 1443 CB VAL A 90 8.190 6.630 24.466 1.00 14.34 C ATOM 1444 CG1 VAL A 90 7.672 5.374 23.782 1.00 14.42 C ATOM 1445 CG2 VAL A 90 8.193 6.461 25.978 1.00 15.12 C ATOM 0 H VAL A 90 8.689 7.152 22.080 1.00 25.44 H new ATOM 0 HA VAL A 90 9.944 7.887 24.456 1.00 20.42 H new ATOM 0 HB VAL A 90 7.520 7.453 24.216 1.00 14.34 H new ATOM 0 HG11 VAL A 90 6.673 5.143 24.153 1.00 14.42 H new ATOM 0 HG12 VAL A 90 7.631 5.537 22.705 1.00 14.42 H new ATOM 0 HG13 VAL A 90 8.340 4.540 23.998 1.00 14.42 H new ATOM 0 HG21 VAL A 90 7.187 6.215 26.319 1.00 15.12 H new ATOM 0 HG22 VAL A 90 8.876 5.657 26.253 1.00 15.12 H new ATOM 0 HG23 VAL A 90 8.518 7.390 26.447 1.00 15.12 H new ATOM 1455 N LYS A 91 10.871 5.023 23.295 1.00 32.14 N ATOM 1456 CA LYS A 91 11.768 3.889 23.484 1.00 3.44 C ATOM 1457 C LYS A 91 13.057 4.325 24.174 1.00 43.01 C ATOM 1458 O LYS A 91 13.644 3.570 24.950 1.00 54.21 O ATOM 1459 CB LYS A 91 12.093 3.239 22.137 1.00 15.25 C ATOM 1460 CG LYS A 91 12.681 4.204 21.123 1.00 63.45 C ATOM 1461 CD LYS A 91 14.184 4.021 20.986 1.00 14.22 C ATOM 1462 CE LYS A 91 14.565 3.567 19.585 1.00 1.54 C ATOM 1463 NZ LYS A 91 14.641 2.084 19.484 1.00 23.35 N ATOM 0 H LYS A 91 10.525 5.132 22.342 1.00 32.14 H new ATOM 0 HA LYS A 91 11.264 3.161 24.119 1.00 3.44 H new ATOM 0 HB2 LYS A 91 12.795 2.421 22.298 1.00 15.25 H new ATOM 0 HB3 LYS A 91 11.183 2.802 21.725 1.00 15.25 H new ATOM 0 HG2 LYS A 91 12.205 4.050 20.155 1.00 63.45 H new ATOM 0 HG3 LYS A 91 12.464 5.228 21.426 1.00 63.45 H new ATOM 0 HD2 LYS A 91 14.688 4.960 21.215 1.00 14.22 H new ATOM 0 HD3 LYS A 91 14.530 3.287 21.714 1.00 14.22 H new ATOM 0 HE2 LYS A 91 13.833 3.943 18.870 1.00 1.54 H new ATOM 0 HE3 LYS A 91 15.528 3.999 19.312 1.00 1.54 H new ATOM 0 HZ1 LYS A 91 15.017 1.818 18.551 1.00 23.35 H new ATOM 0 HZ2 LYS A 91 15.269 1.717 20.228 1.00 23.35 H new ATOM 0 HZ3 LYS A 91 13.690 1.679 19.602 1.00 23.35 H new ATOM 1477 N PHE A 92 13.493 5.547 23.887 1.00 54.42 N ATOM 1478 CA PHE A 92 14.712 6.084 24.480 1.00 61.41 C ATOM 1479 C PHE A 92 14.402 7.281 25.373 1.00 35.02 C ATOM 1480 O PHE A 92 13.631 8.165 24.999 1.00 43.22 O ATOM 1481 CB PHE A 92 15.700 6.492 23.385 1.00 11.32 C ATOM 1482 CG PHE A 92 17.001 7.019 23.918 1.00 3.45 C ATOM 1483 CD1 PHE A 92 17.162 8.371 24.179 1.00 62.33 C ATOM 1484 CD2 PHE A 92 18.064 6.163 24.159 1.00 1.50 C ATOM 1485 CE1 PHE A 92 18.358 8.859 24.670 1.00 44.12 C ATOM 1486 CE2 PHE A 92 19.262 6.646 24.650 1.00 24.05 C ATOM 1487 CZ PHE A 92 19.410 7.995 24.905 1.00 1.50 C ATOM 0 H PHE A 92 13.020 6.185 23.247 1.00 54.42 H new ATOM 0 HA PHE A 92 15.162 5.303 25.093 1.00 61.41 H new ATOM 0 HB2 PHE A 92 15.900 5.631 22.748 1.00 11.32 H new ATOM 0 HB3 PHE A 92 15.239 7.254 22.756 1.00 11.32 H new ATOM 0 HD1 PHE A 92 16.343 9.051 23.996 1.00 62.33 H new ATOM 0 HD2 PHE A 92 17.955 5.107 23.961 1.00 1.50 H new ATOM 0 HE1 PHE A 92 18.470 9.914 24.870 1.00 44.12 H new ATOM 0 HE2 PHE A 92 20.083 5.968 24.834 1.00 24.05 H new ATOM 0 HZ PHE A 92 20.346 8.374 25.287 1.00 1.50 H new ATOM 1497 N SER A 93 15.006 7.301 26.557 1.00 44.53 N ATOM 1498 CA SER A 93 14.792 8.387 27.506 1.00 12.21 C ATOM 1499 C SER A 93 16.068 9.201 27.698 1.00 53.42 C ATOM 1500 O SER A 93 16.113 10.120 28.515 1.00 73.24 O ATOM 1501 CB SER A 93 14.321 7.831 28.851 1.00 23.04 C ATOM 1502 OG SER A 93 13.651 8.824 29.608 1.00 42.52 O ATOM 0 H SER A 93 15.647 6.577 26.882 1.00 44.53 H new ATOM 0 HA SER A 93 14.021 9.043 27.102 1.00 12.21 H new ATOM 0 HB2 SER A 93 13.654 6.985 28.685 1.00 23.04 H new ATOM 0 HB3 SER A 93 15.177 7.457 29.413 1.00 23.04 H new ATOM 0 HG SER A 93 14.162 9.660 29.576 1.00 42.52 H new TER 1508 SER A 93