USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 444 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 14 GLN :FLIP amide:sc= -1.44 X(o=-4.7,f=-4.3) USER MOD Set 1.2: A 17 ASN : amide:sc= -2.83! C(o=-4.3!,f=-4.5!) USER MOD Set 1.3: A 18 ASN : amide:sc= 0 X(o=-4.3,f=-4.7) USER MOD Set 2.1: A 3 MET CE :methyl 154:sc= -1.99 (180deg=-0.00183) USER MOD Set 2.2: A 16 HIS : no HD1:sc= -1.15 K(o=-3.1,f=-5.3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= 0.351 F(o=-0.42,f=0.35) USER MOD Single : A 9 TYR OH : rot 30:sc= -1.67! USER MOD Single : A 21 MET CE :methyl -175:sc= -2.63 (180deg=-2.66) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -1.7 X(o=-1.7,f=-1.3) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.112 K(o=-0.11,f=-0.96) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.805 USER MOD Single : A 57 ASN : amide:sc= -0.695 K(o=-0.7,f=-1.8!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.966 -0.091 -4.175 1.00 34.24 N ATOM 2 CA GLY A 1 1.370 0.404 -2.872 1.00 2.30 C ATOM 3 C GLY A 1 2.572 1.325 -2.950 1.00 13.24 C ATOM 4 O GLY A 1 3.668 0.897 -3.309 1.00 43.02 O ATOM 0 H1 GLY A 1 0.141 -0.716 -4.069 1.00 34.24 H new ATOM 0 H2 GLY A 1 0.716 0.711 -4.789 1.00 34.24 H new ATOM 0 H3 GLY A 1 1.750 -0.623 -4.603 1.00 34.24 H new ATOM 0 HA2 GLY A 1 0.537 0.937 -2.415 1.00 2.30 H new ATOM 0 HA3 GLY A 1 1.604 -0.440 -2.223 1.00 2.30 H new ATOM 8 N SER A 2 2.365 2.594 -2.613 1.00 43.52 N ATOM 9 CA SER A 2 3.439 3.580 -2.652 1.00 24.12 C ATOM 10 C SER A 2 3.408 4.466 -1.410 1.00 45.13 C ATOM 11 O SER A 2 2.341 4.773 -0.880 1.00 42.01 O ATOM 12 CB SER A 2 3.324 4.442 -3.911 1.00 24.25 C ATOM 13 OG SER A 2 2.004 4.930 -4.075 1.00 43.04 O ATOM 0 H SER A 2 1.464 2.964 -2.310 1.00 43.52 H new ATOM 0 HA SER A 2 4.389 3.046 -2.672 1.00 24.12 H new ATOM 0 HB2 SER A 2 4.019 5.279 -3.847 1.00 24.25 H new ATOM 0 HB3 SER A 2 3.610 3.856 -4.784 1.00 24.25 H new ATOM 0 HG SER A 2 1.957 5.479 -4.885 1.00 43.04 H new ATOM 19 N MET A 3 4.588 4.874 -0.952 1.00 73.44 N ATOM 20 CA MET A 3 4.696 5.726 0.226 1.00 25.31 C ATOM 21 C MET A 3 3.973 7.051 0.008 1.00 70.34 C ATOM 22 O MET A 3 4.227 7.753 -0.971 1.00 53.20 O ATOM 23 CB MET A 3 6.167 5.983 0.562 1.00 53.34 C ATOM 24 CG MET A 3 6.374 6.660 1.907 1.00 75.10 C ATOM 25 SD MET A 3 7.221 8.245 1.764 1.00 13.12 S ATOM 26 CE MET A 3 8.855 7.810 2.355 1.00 53.10 C ATOM 0 H MET A 3 5.481 4.628 -1.379 1.00 73.44 H new ATOM 0 HA MET A 3 4.224 5.209 1.062 1.00 25.31 H new ATOM 0 HB2 MET A 3 6.704 5.034 0.556 1.00 53.34 H new ATOM 0 HB3 MET A 3 6.607 6.603 -0.219 1.00 53.34 H new ATOM 0 HG2 MET A 3 5.407 6.811 2.386 1.00 75.10 H new ATOM 0 HG3 MET A 3 6.951 6.001 2.556 1.00 75.10 H new ATOM 0 HE1 MET A 3 9.591 8.487 1.922 1.00 53.10 H new ATOM 0 HE2 MET A 3 8.882 7.891 3.442 1.00 53.10 H new ATOM 0 HE3 MET A 3 9.087 6.786 2.062 1.00 53.10 H new ATOM 36 N ASP A 4 3.072 7.386 0.924 1.00 33.43 N ATOM 37 CA ASP A 4 2.312 8.627 0.832 1.00 60.11 C ATOM 38 C ASP A 4 3.030 9.759 1.560 1.00 61.02 C ATOM 39 O ASP A 4 3.891 9.535 2.411 1.00 62.02 O ATOM 40 CB ASP A 4 0.911 8.437 1.415 1.00 72.11 C ATOM 41 CG ASP A 4 -0.120 8.112 0.351 1.00 25.24 C ATOM 42 OD1 ASP A 4 0.243 7.447 -0.641 1.00 74.52 O ATOM 43 OD2 ASP A 4 -1.288 8.523 0.511 1.00 0.43 O ATOM 0 H ASP A 4 2.850 6.815 1.740 1.00 33.43 H new ATOM 0 HA ASP A 4 2.225 8.894 -0.221 1.00 60.11 H new ATOM 0 HB2 ASP A 4 0.933 7.635 2.152 1.00 72.11 H new ATOM 0 HB3 ASP A 4 0.613 9.344 1.940 1.00 72.11 H new ATOM 48 N PRO A 5 2.670 11.005 1.218 1.00 11.02 N ATOM 49 CA PRO A 5 3.268 12.197 1.827 1.00 60.11 C ATOM 50 C PRO A 5 2.856 12.372 3.284 1.00 12.45 C ATOM 51 O PRO A 5 3.695 12.607 4.153 1.00 62.44 O ATOM 52 CB PRO A 5 2.720 13.344 0.974 1.00 35.23 C ATOM 53 CG PRO A 5 1.442 12.822 0.414 1.00 72.43 C ATOM 54 CD PRO A 5 1.651 11.346 0.212 1.00 54.33 C ATOM 0 HA PRO A 5 4.357 12.143 1.845 1.00 60.11 H new ATOM 0 HB2 PRO A 5 2.553 14.239 1.574 1.00 35.23 H new ATOM 0 HB3 PRO A 5 3.417 13.617 0.182 1.00 35.23 H new ATOM 0 HG2 PRO A 5 0.612 13.009 1.095 1.00 72.43 H new ATOM 0 HG3 PRO A 5 1.199 13.314 -0.528 1.00 72.43 H new ATOM 0 HD2 PRO A 5 0.730 10.785 0.367 1.00 54.33 H new ATOM 0 HD3 PRO A 5 1.994 11.123 -0.798 1.00 54.33 H new ATOM 62 N ASN A 6 1.558 12.257 3.546 1.00 73.15 N ATOM 63 CA ASN A 6 1.034 12.403 4.899 1.00 43.01 C ATOM 64 C ASN A 6 0.587 11.056 5.458 1.00 61.44 C ATOM 65 O ASN A 6 -0.529 10.919 5.957 1.00 74.14 O ATOM 66 CB ASN A 6 -0.137 13.387 4.912 1.00 51.24 C ATOM 67 CG ASN A 6 -1.151 13.093 3.823 1.00 12.00 C ATOM 68 OD1 ASN A 6 -1.117 13.880 2.754 1.00 23.20 O flip ATOM 69 ND2 ASN A 6 -1.956 12.169 3.942 1.00 4.21 N flip ATOM 0 H ASN A 6 0.849 12.063 2.838 1.00 73.15 H new ATOM 0 HA ASN A 6 1.833 12.791 5.531 1.00 43.01 H new ATOM 0 HB2 ASN A 6 -0.630 13.348 5.884 1.00 51.24 H new ATOM 0 HB3 ASN A 6 0.243 14.401 4.787 1.00 51.24 H new ATOM 0 HD21 ASN A 6 -1.946 11.589 4.781 1.00 4.21 H new ATOM 0 HD22 ASN A 6 -2.632 11.983 3.201 1.00 4.21 H new ATOM 76 N ALA A 7 1.467 10.064 5.370 1.00 21.53 N ATOM 77 CA ALA A 7 1.164 8.728 5.869 1.00 24.22 C ATOM 78 C ALA A 7 2.014 8.392 7.090 1.00 1.32 C ATOM 79 O ALA A 7 2.897 9.160 7.475 1.00 62.02 O ATOM 80 CB ALA A 7 1.380 7.694 4.774 1.00 74.02 C ATOM 0 H ALA A 7 2.395 10.160 4.958 1.00 21.53 H new ATOM 0 HA ALA A 7 0.117 8.709 6.171 1.00 24.22 H new ATOM 0 HB1 ALA A 7 1.150 6.701 5.161 1.00 74.02 H new ATOM 0 HB2 ALA A 7 0.726 7.915 3.930 1.00 74.02 H new ATOM 0 HB3 ALA A 7 2.419 7.724 4.445 1.00 74.02 H new ATOM 86 N LEU A 8 1.742 7.242 7.697 1.00 53.24 N ATOM 87 CA LEU A 8 2.481 6.805 8.876 1.00 62.14 C ATOM 88 C LEU A 8 2.907 5.346 8.741 1.00 1.44 C ATOM 89 O LEU A 8 2.171 4.522 8.198 1.00 25.24 O ATOM 90 CB LEU A 8 1.629 6.986 10.133 1.00 75.53 C ATOM 91 CG LEU A 8 1.162 8.411 10.428 1.00 3.54 C ATOM 92 CD1 LEU A 8 0.331 8.448 11.701 1.00 3.25 C ATOM 93 CD2 LEU A 8 2.355 9.350 10.540 1.00 11.05 C ATOM 0 H LEU A 8 1.015 6.595 7.392 1.00 53.24 H new ATOM 0 HA LEU A 8 3.377 7.420 8.962 1.00 62.14 H new ATOM 0 HB2 LEU A 8 0.750 6.348 10.047 1.00 75.53 H new ATOM 0 HB3 LEU A 8 2.200 6.628 10.989 1.00 75.53 H new ATOM 0 HG LEU A 8 0.536 8.747 9.601 1.00 3.54 H new ATOM 0 HD11 LEU A 8 0.008 9.471 11.895 1.00 3.25 H new ATOM 0 HD12 LEU A 8 -0.543 7.807 11.584 1.00 3.25 H new ATOM 0 HD13 LEU A 8 0.932 8.093 12.538 1.00 3.25 H new ATOM 0 HD21 LEU A 8 2.004 10.360 10.750 1.00 11.05 H new ATOM 0 HD22 LEU A 8 3.006 9.016 11.348 1.00 11.05 H new ATOM 0 HD23 LEU A 8 2.910 9.346 9.602 1.00 11.05 H new ATOM 105 N TYR A 9 4.098 5.035 9.241 1.00 33.01 N ATOM 106 CA TYR A 9 4.622 3.676 9.177 1.00 72.11 C ATOM 107 C TYR A 9 5.448 3.351 10.418 1.00 51.41 C ATOM 108 O TYR A 9 5.160 2.393 11.136 1.00 61.34 O ATOM 109 CB TYR A 9 5.475 3.495 7.921 1.00 64.23 C ATOM 110 CG TYR A 9 4.934 4.222 6.711 1.00 72.34 C ATOM 111 CD1 TYR A 9 4.009 3.616 5.869 1.00 51.34 C ATOM 112 CD2 TYR A 9 5.347 5.513 6.408 1.00 3.25 C ATOM 113 CE1 TYR A 9 3.512 4.276 4.761 1.00 13.14 C ATOM 114 CE2 TYR A 9 4.854 6.181 5.304 1.00 3.24 C ATOM 115 CZ TYR A 9 3.937 5.559 4.484 1.00 60.51 C ATOM 116 OH TYR A 9 3.445 6.220 3.382 1.00 13.02 O ATOM 0 H TYR A 9 4.718 5.705 9.695 1.00 33.01 H new ATOM 0 HA TYR A 9 3.776 2.989 9.136 1.00 72.11 H new ATOM 0 HB2 TYR A 9 6.486 3.848 8.125 1.00 64.23 H new ATOM 0 HB3 TYR A 9 5.549 2.432 7.692 1.00 64.23 H new ATOM 0 HD1 TYR A 9 3.673 2.612 6.084 1.00 51.34 H new ATOM 0 HD2 TYR A 9 6.066 6.003 7.047 1.00 3.25 H new ATOM 0 HE1 TYR A 9 2.795 3.790 4.116 1.00 13.14 H new ATOM 0 HE2 TYR A 9 5.185 7.185 5.084 1.00 3.24 H new ATOM 0 HH TYR A 9 2.535 5.909 3.193 1.00 13.02 H new ATOM 126 N CYS A 10 6.475 4.157 10.664 1.00 52.20 N ATOM 127 CA CYS A 10 7.344 3.957 11.818 1.00 1.11 C ATOM 128 C CYS A 10 6.524 3.719 13.082 1.00 40.42 C ATOM 129 O CYS A 10 5.360 4.114 13.162 1.00 45.41 O ATOM 130 CB CYS A 10 8.259 5.168 12.009 1.00 20.44 C ATOM 131 SG CYS A 10 9.616 4.891 13.171 1.00 25.43 S ATOM 0 H CYS A 10 6.726 4.955 10.080 1.00 52.20 H new ATOM 0 HA CYS A 10 7.956 3.074 11.633 1.00 1.11 H new ATOM 0 HB2 CYS A 10 8.675 5.452 11.042 1.00 20.44 H new ATOM 0 HB3 CYS A 10 7.662 6.010 12.359 1.00 20.44 H new ATOM 136 N ILE A 11 7.138 3.070 14.066 1.00 53.54 N ATOM 137 CA ILE A 11 6.464 2.780 15.325 1.00 30.31 C ATOM 138 C ILE A 11 5.910 4.051 15.958 1.00 13.34 C ATOM 139 O ILE A 11 4.837 4.039 16.564 1.00 25.23 O ATOM 140 CB ILE A 11 7.412 2.093 16.325 1.00 24.33 C ATOM 141 CG1 ILE A 11 8.676 2.932 16.522 1.00 2.35 C ATOM 142 CG2 ILE A 11 7.769 0.695 15.843 1.00 73.44 C ATOM 143 CD1 ILE A 11 9.686 2.295 17.451 1.00 0.42 C ATOM 0 H ILE A 11 8.100 2.735 14.015 1.00 53.54 H new ATOM 0 HA ILE A 11 5.641 2.104 15.094 1.00 30.31 H new ATOM 0 HB ILE A 11 6.902 2.006 17.284 1.00 24.33 H new ATOM 0 HG12 ILE A 11 9.144 3.103 15.552 1.00 2.35 H new ATOM 0 HG13 ILE A 11 8.396 3.908 16.917 1.00 2.35 H new ATOM 0 HG21 ILE A 11 8.440 0.223 16.561 1.00 73.44 H new ATOM 0 HG22 ILE A 11 6.861 0.100 15.749 1.00 73.44 H new ATOM 0 HG23 ILE A 11 8.263 0.759 14.873 1.00 73.44 H new ATOM 0 HD11 ILE A 11 10.556 2.945 17.544 1.00 0.42 H new ATOM 0 HD12 ILE A 11 9.236 2.149 18.433 1.00 0.42 H new ATOM 0 HD13 ILE A 11 9.995 1.331 17.047 1.00 0.42 H new ATOM 155 N CYS A 12 6.646 5.147 15.813 1.00 51.31 N ATOM 156 CA CYS A 12 6.228 6.429 16.370 1.00 33.10 C ATOM 157 C CYS A 12 5.090 7.032 15.553 1.00 72.34 C ATOM 158 O CYS A 12 4.393 7.936 16.013 1.00 34.33 O ATOM 159 CB CYS A 12 7.409 7.399 16.415 1.00 62.11 C ATOM 160 SG CYS A 12 8.148 7.738 14.800 1.00 53.03 S ATOM 0 H CYS A 12 7.535 5.174 15.314 1.00 51.31 H new ATOM 0 HA CYS A 12 5.870 6.256 17.385 1.00 33.10 H new ATOM 0 HB2 CYS A 12 7.077 8.339 16.855 1.00 62.11 H new ATOM 0 HB3 CYS A 12 8.175 6.992 17.075 1.00 62.11 H new ATOM 165 N ARG A 13 4.909 6.526 14.337 1.00 41.11 N ATOM 166 CA ARG A 13 3.858 7.017 13.454 1.00 72.40 C ATOM 167 C ARG A 13 4.090 8.481 13.093 1.00 1.04 C ATOM 168 O ARG A 13 3.353 9.362 13.534 1.00 11.42 O ATOM 169 CB ARG A 13 2.489 6.854 14.117 1.00 53.51 C ATOM 170 CG ARG A 13 2.240 5.459 14.667 1.00 54.54 C ATOM 171 CD ARG A 13 2.383 4.401 13.585 1.00 63.52 C ATOM 172 NE ARG A 13 1.165 3.610 13.427 1.00 3.23 N ATOM 173 CZ ARG A 13 0.976 2.740 12.442 1.00 65.40 C ATOM 174 NH1 ARG A 13 1.921 2.548 11.532 1.00 43.32 N ATOM 175 NH2 ARG A 13 -0.159 2.058 12.366 1.00 34.31 N ATOM 0 H ARG A 13 5.477 5.777 13.941 1.00 41.11 H new ATOM 0 HA ARG A 13 3.883 6.427 12.538 1.00 72.40 H new ATOM 0 HB2 ARG A 13 2.400 7.576 14.928 1.00 53.51 H new ATOM 0 HB3 ARG A 13 1.712 7.093 13.390 1.00 53.51 H new ATOM 0 HG2 ARG A 13 2.944 5.254 15.474 1.00 54.54 H new ATOM 0 HG3 ARG A 13 1.239 5.409 15.096 1.00 54.54 H new ATOM 0 HD2 ARG A 13 2.628 4.882 12.638 1.00 63.52 H new ATOM 0 HD3 ARG A 13 3.214 3.741 13.832 1.00 63.52 H new ATOM 0 HE ARG A 13 0.419 3.733 14.111 1.00 3.23 H new ATOM 0 HH11 ARG A 13 2.796 3.069 11.588 1.00 43.32 H new ATOM 0 HH12 ARG A 13 1.773 1.879 10.776 1.00 43.32 H new ATOM 0 HH21 ARG A 13 -0.888 2.202 13.065 1.00 34.31 H new ATOM 0 HH22 ARG A 13 -0.303 1.390 11.609 1.00 34.31 H new ATOM 189 N GLN A 14 5.119 8.731 12.290 1.00 1.44 N ATOM 190 CA GLN A 14 5.449 10.089 11.872 1.00 35.12 C ATOM 191 C GLN A 14 5.710 10.148 10.371 1.00 63.41 C ATOM 192 O GLN A 14 6.006 9.140 9.728 1.00 42.32 O ATOM 193 CB GLN A 14 6.673 10.597 12.636 1.00 53.34 C ATOM 194 CG GLN A 14 6.324 11.426 13.862 1.00 62.51 C ATOM 195 CD GLN A 14 6.727 12.880 13.718 1.00 60.24 C ATOM 196 OE1 GLN A 14 8.022 13.122 13.552 1.00 54.24 O flip ATOM 197 NE2 GLN A 14 5.884 13.776 13.755 1.00 1.11 N flip ATOM 0 H GLN A 14 5.738 8.012 11.916 1.00 1.44 H new ATOM 0 HA GLN A 14 4.597 10.730 12.099 1.00 35.12 H new ATOM 0 HB2 GLN A 14 7.278 9.744 12.944 1.00 53.34 H new ATOM 0 HB3 GLN A 14 7.287 11.197 11.964 1.00 53.34 H new ATOM 0 HG2 GLN A 14 5.251 11.367 14.042 1.00 62.51 H new ATOM 0 HG3 GLN A 14 6.818 11.001 14.736 1.00 62.51 H new ATOM 0 HE21 GLN A 14 4.899 13.545 13.884 1.00 1.11 H new ATOM 0 HE22 GLN A 14 6.170 14.750 13.656 1.00 1.11 H new ATOM 206 N PRO A 15 5.599 11.355 9.797 1.00 21.11 N ATOM 207 CA PRO A 15 5.820 11.574 8.365 1.00 60.14 C ATOM 208 C PRO A 15 7.285 11.414 7.973 1.00 40.21 C ATOM 209 O PRO A 15 8.183 11.622 8.790 1.00 53.32 O ATOM 210 CB PRO A 15 5.364 13.020 8.152 1.00 23.34 C ATOM 211 CG PRO A 15 5.530 13.668 9.483 1.00 1.33 C ATOM 212 CD PRO A 15 5.250 12.599 10.503 1.00 52.22 C ATOM 0 HA PRO A 15 5.282 10.849 7.754 1.00 60.14 H new ATOM 0 HB2 PRO A 15 5.966 13.517 7.391 1.00 23.34 H new ATOM 0 HB3 PRO A 15 4.328 13.063 7.817 1.00 23.34 H new ATOM 0 HG2 PRO A 15 6.538 14.065 9.601 1.00 1.33 H new ATOM 0 HG3 PRO A 15 4.842 14.506 9.597 1.00 1.33 H new ATOM 0 HD2 PRO A 15 5.852 12.733 11.402 1.00 52.22 H new ATOM 0 HD3 PRO A 15 4.206 12.605 10.815 1.00 52.22 H new ATOM 220 N HIS A 16 7.520 11.044 6.718 1.00 4.10 N ATOM 221 CA HIS A 16 8.878 10.858 6.218 1.00 72.42 C ATOM 222 C HIS A 16 9.526 12.200 5.891 1.00 34.23 C ATOM 223 O HIS A 16 10.699 12.261 5.526 1.00 73.00 O ATOM 224 CB HIS A 16 8.868 9.967 4.975 1.00 41.10 C ATOM 225 CG HIS A 16 8.514 10.699 3.717 1.00 63.52 C ATOM 226 ND1 HIS A 16 9.399 10.872 2.673 1.00 12.32 N ATOM 227 CD2 HIS A 16 7.363 11.301 3.337 1.00 44.12 C ATOM 228 CE1 HIS A 16 8.808 11.552 1.707 1.00 72.44 C ATOM 229 NE2 HIS A 16 7.572 11.824 2.084 1.00 33.31 N ATOM 0 H HIS A 16 6.789 10.867 6.029 1.00 4.10 H new ATOM 0 HA HIS A 16 9.463 10.373 6.999 1.00 72.42 H new ATOM 0 HB2 HIS A 16 9.851 9.512 4.856 1.00 41.10 H new ATOM 0 HB3 HIS A 16 8.157 9.155 5.126 1.00 41.10 H new ATOM 0 HD2 HIS A 16 6.450 11.359 3.912 1.00 44.12 H new ATOM 0 HE1 HIS A 16 9.259 11.837 0.768 1.00 72.44 H new ATOM 0 HE2 HIS A 16 6.884 12.339 1.534 1.00 33.31 H new ATOM 237 N ASN A 17 8.753 13.273 6.025 1.00 34.31 N ATOM 238 CA ASN A 17 9.251 14.614 5.743 1.00 61.10 C ATOM 239 C ASN A 17 9.892 15.228 6.984 1.00 51.32 C ATOM 240 O ASN A 17 9.674 16.399 7.292 1.00 41.10 O ATOM 241 CB ASN A 17 8.114 15.509 5.246 1.00 1.12 C ATOM 242 CG ASN A 17 6.849 15.346 6.067 1.00 42.13 C ATOM 243 OD1 ASN A 17 5.833 14.860 5.571 1.00 72.40 O ATOM 244 ND2 ASN A 17 6.907 15.754 7.329 1.00 34.12 N ATOM 0 H ASN A 17 7.779 13.240 6.327 1.00 34.31 H new ATOM 0 HA ASN A 17 10.010 14.537 4.964 1.00 61.10 H new ATOM 0 HB2 ASN A 17 8.434 16.550 5.279 1.00 1.12 H new ATOM 0 HB3 ASN A 17 7.900 15.275 4.203 1.00 1.12 H new ATOM 0 HD21 ASN A 17 6.087 15.670 7.930 1.00 34.12 H new ATOM 0 HD22 ASN A 17 7.771 16.151 7.697 1.00 34.12 H new ATOM 251 N ASN A 18 10.684 14.429 7.691 1.00 12.14 N ATOM 252 CA ASN A 18 11.357 14.894 8.899 1.00 71.02 C ATOM 253 C ASN A 18 12.833 14.508 8.882 1.00 72.12 C ATOM 254 O ASN A 18 13.697 15.331 8.580 1.00 11.42 O ATOM 255 CB ASN A 18 10.680 14.312 10.141 1.00 21.33 C ATOM 256 CG ASN A 18 9.660 15.259 10.742 1.00 53.44 C ATOM 257 OD1 ASN A 18 8.958 15.971 10.022 1.00 24.13 O ATOM 258 ND2 ASN A 18 9.573 15.273 12.067 1.00 72.13 N ATOM 0 H ASN A 18 10.876 13.457 7.449 1.00 12.14 H new ATOM 0 HA ASN A 18 11.285 15.981 8.930 1.00 71.02 H new ATOM 0 HB2 ASN A 18 10.190 13.374 9.878 1.00 21.33 H new ATOM 0 HB3 ASN A 18 11.438 14.077 10.888 1.00 21.33 H new ATOM 0 HD21 ASN A 18 8.905 15.891 12.528 1.00 72.13 H new ATOM 0 HD22 ASN A 18 10.174 14.666 12.624 1.00 72.13 H new ATOM 265 N ARG A 19 13.114 13.250 9.207 1.00 54.30 N ATOM 266 CA ARG A 19 14.485 12.755 9.230 1.00 75.13 C ATOM 267 C ARG A 19 14.643 11.550 8.307 1.00 54.12 C ATOM 268 O ARG A 19 13.691 11.130 7.649 1.00 73.32 O ATOM 269 CB ARG A 19 14.889 12.375 10.655 1.00 15.05 C ATOM 270 CG ARG A 19 14.147 11.164 11.196 1.00 31.54 C ATOM 271 CD ARG A 19 13.602 11.422 12.592 1.00 30.54 C ATOM 272 NE ARG A 19 14.636 11.904 13.503 1.00 5.23 N ATOM 273 CZ ARG A 19 14.377 12.554 14.632 1.00 13.12 C ATOM 274 NH1 ARG A 19 13.123 12.797 14.987 1.00 13.45 N ATOM 275 NH2 ARG A 19 15.372 12.962 15.409 1.00 64.32 N ATOM 0 H ARG A 19 12.410 12.555 9.458 1.00 54.30 H new ATOM 0 HA ARG A 19 15.138 13.552 8.875 1.00 75.13 H new ATOM 0 HB2 ARG A 19 15.960 12.175 10.679 1.00 15.05 H new ATOM 0 HB3 ARG A 19 14.709 13.225 11.313 1.00 15.05 H new ATOM 0 HG2 ARG A 19 13.326 10.909 10.525 1.00 31.54 H new ATOM 0 HG3 ARG A 19 14.818 10.305 11.219 1.00 31.54 H new ATOM 0 HD2 ARG A 19 12.797 12.155 12.537 1.00 30.54 H new ATOM 0 HD3 ARG A 19 13.170 10.503 12.988 1.00 30.54 H new ATOM 0 HE ARG A 19 15.611 11.732 13.259 1.00 5.23 H new ATOM 0 HH11 ARG A 19 12.355 12.485 14.393 1.00 13.45 H new ATOM 0 HH12 ARG A 19 12.926 13.296 15.854 1.00 13.45 H new ATOM 0 HH21 ARG A 19 16.338 12.777 15.140 1.00 64.32 H new ATOM 0 HH22 ARG A 19 15.171 13.461 16.276 1.00 64.32 H new ATOM 289 N PHE A 20 15.851 10.999 8.263 1.00 2.31 N ATOM 290 CA PHE A 20 16.135 9.844 7.420 1.00 72.12 C ATOM 291 C PHE A 20 15.165 8.703 7.716 1.00 44.41 C ATOM 292 O PHE A 20 14.718 8.534 8.850 1.00 73.14 O ATOM 293 CB PHE A 20 17.575 9.372 7.632 1.00 51.22 C ATOM 294 CG PHE A 20 17.884 8.067 6.955 1.00 0.43 C ATOM 295 CD1 PHE A 20 18.259 8.035 5.622 1.00 45.11 C ATOM 296 CD2 PHE A 20 17.800 6.873 7.653 1.00 53.22 C ATOM 297 CE1 PHE A 20 18.544 6.836 4.997 1.00 73.40 C ATOM 298 CE2 PHE A 20 18.083 5.671 7.033 1.00 22.52 C ATOM 299 CZ PHE A 20 18.457 5.652 5.704 1.00 54.03 C ATOM 0 H PHE A 20 16.650 11.334 8.802 1.00 2.31 H new ATOM 0 HA PHE A 20 16.008 10.145 6.380 1.00 72.12 H new ATOM 0 HB2 PHE A 20 18.258 10.136 7.260 1.00 51.22 H new ATOM 0 HB3 PHE A 20 17.762 9.271 8.701 1.00 51.22 H new ATOM 0 HD1 PHE A 20 18.329 8.958 5.065 1.00 45.11 H new ATOM 0 HD2 PHE A 20 17.510 6.882 8.693 1.00 53.22 H new ATOM 0 HE1 PHE A 20 18.834 6.824 3.957 1.00 73.40 H new ATOM 0 HE2 PHE A 20 18.012 4.747 7.588 1.00 22.52 H new ATOM 0 HZ PHE A 20 18.681 4.714 5.218 1.00 54.03 H new ATOM 309 N MET A 21 14.845 7.925 6.688 1.00 65.44 N ATOM 310 CA MET A 21 13.930 6.800 6.837 1.00 33.33 C ATOM 311 C MET A 21 14.403 5.601 6.021 1.00 52.10 C ATOM 312 O MET A 21 15.087 5.759 5.009 1.00 32.22 O ATOM 313 CB MET A 21 12.519 7.202 6.404 1.00 73.14 C ATOM 314 CG MET A 21 11.672 7.763 7.535 1.00 42.35 C ATOM 315 SD MET A 21 9.904 7.643 7.204 1.00 32.43 S ATOM 316 CE MET A 21 9.454 6.271 8.264 1.00 23.52 C ATOM 0 H MET A 21 15.206 8.053 5.743 1.00 65.44 H new ATOM 0 HA MET A 21 13.912 6.516 7.889 1.00 33.33 H new ATOM 0 HB2 MET A 21 12.590 7.946 5.611 1.00 73.14 H new ATOM 0 HB3 MET A 21 12.016 6.332 5.981 1.00 73.14 H new ATOM 0 HG2 MET A 21 11.902 7.228 8.456 1.00 42.35 H new ATOM 0 HG3 MET A 21 11.937 8.808 7.699 1.00 42.35 H new ATOM 0 HE1 MET A 21 8.406 6.016 8.104 1.00 23.52 H new ATOM 0 HE2 MET A 21 10.077 5.409 8.027 1.00 23.52 H new ATOM 0 HE3 MET A 21 9.604 6.552 9.306 1.00 23.52 H new ATOM 326 N ILE A 22 14.035 4.405 6.467 1.00 71.21 N ATOM 327 CA ILE A 22 14.422 3.181 5.777 1.00 74.44 C ATOM 328 C ILE A 22 13.196 2.381 5.348 1.00 61.22 C ATOM 329 O ILE A 22 12.135 2.471 5.967 1.00 4.01 O ATOM 330 CB ILE A 22 15.316 2.293 6.663 1.00 54.14 C ATOM 331 CG1 ILE A 22 15.926 1.160 5.836 1.00 62.14 C ATOM 332 CG2 ILE A 22 14.516 1.733 7.829 1.00 11.24 C ATOM 333 CD1 ILE A 22 17.187 0.582 6.440 1.00 13.01 C ATOM 0 H ILE A 22 13.469 4.257 7.303 1.00 71.21 H new ATOM 0 HA ILE A 22 14.985 3.482 4.893 1.00 74.44 H new ATOM 0 HB ILE A 22 16.126 2.903 7.063 1.00 54.14 H new ATOM 0 HG12 ILE A 22 15.189 0.365 5.724 1.00 62.14 H new ATOM 0 HG13 ILE A 22 16.149 1.531 4.835 1.00 62.14 H new ATOM 0 HG21 ILE A 22 15.161 1.108 8.446 1.00 11.24 H new ATOM 0 HG22 ILE A 22 14.125 2.554 8.430 1.00 11.24 H new ATOM 0 HG23 ILE A 22 13.688 1.135 7.448 1.00 11.24 H new ATOM 0 HD11 ILE A 22 17.564 -0.216 5.801 1.00 13.01 H new ATOM 0 HD12 ILE A 22 17.941 1.365 6.526 1.00 13.01 H new ATOM 0 HD13 ILE A 22 16.966 0.181 7.429 1.00 13.01 H new ATOM 345 N CYS A 23 13.350 1.598 4.286 1.00 32.40 N ATOM 346 CA CYS A 23 12.256 0.780 3.774 1.00 34.13 C ATOM 347 C CYS A 23 12.459 -0.688 4.135 1.00 62.03 C ATOM 348 O CYS A 23 13.493 -1.278 3.818 1.00 2.42 O ATOM 349 CB CYS A 23 12.143 0.934 2.257 1.00 54.21 C ATOM 350 SG CYS A 23 10.887 -0.123 1.499 1.00 72.10 S ATOM 0 H CYS A 23 14.221 1.512 3.763 1.00 32.40 H new ATOM 0 HA CYS A 23 11.331 1.124 4.236 1.00 34.13 H new ATOM 0 HB2 CYS A 23 11.916 1.974 2.024 1.00 54.21 H new ATOM 0 HB3 CYS A 23 13.110 0.711 1.807 1.00 54.21 H new ATOM 0 HG CYS A 23 10.866 0.081 0.215 1.00 72.10 H new ATOM 356 N CYS A 24 11.468 -1.271 4.799 1.00 30.41 N ATOM 357 CA CYS A 24 11.539 -2.671 5.205 1.00 1.54 C ATOM 358 C CYS A 24 10.733 -3.553 4.258 1.00 22.40 C ATOM 359 O CYS A 24 9.529 -3.361 4.088 1.00 61.40 O ATOM 360 CB CYS A 24 11.025 -2.835 6.636 1.00 12.53 C ATOM 361 SG CYS A 24 10.913 -4.553 7.188 1.00 11.31 S ATOM 0 H CYS A 24 10.606 -0.797 5.068 1.00 30.41 H new ATOM 0 HA CYS A 24 12.582 -2.983 5.163 1.00 1.54 H new ATOM 0 HB2 CYS A 24 11.684 -2.290 7.312 1.00 12.53 H new ATOM 0 HB3 CYS A 24 10.040 -2.375 6.712 1.00 12.53 H new ATOM 366 N ASP A 25 11.406 -4.520 3.643 1.00 53.33 N ATOM 367 CA ASP A 25 10.753 -5.432 2.711 1.00 35.34 C ATOM 368 C ASP A 25 9.958 -6.497 3.461 1.00 13.11 C ATOM 369 O ASP A 25 8.992 -7.050 2.935 1.00 53.40 O ATOM 370 CB ASP A 25 11.789 -6.097 1.804 1.00 52.43 C ATOM 371 CG ASP A 25 11.985 -5.345 0.502 1.00 73.03 C ATOM 372 OD1 ASP A 25 11.740 -4.121 0.481 1.00 14.12 O ATOM 373 OD2 ASP A 25 12.382 -5.981 -0.497 1.00 62.20 O ATOM 0 H ASP A 25 12.403 -4.692 3.773 1.00 53.33 H new ATOM 0 HA ASP A 25 10.063 -4.853 2.097 1.00 35.34 H new ATOM 0 HB2 ASP A 25 12.741 -6.161 2.331 1.00 52.43 H new ATOM 0 HB3 ASP A 25 11.476 -7.118 1.587 1.00 52.43 H new ATOM 378 N ARG A 26 10.372 -6.780 4.692 1.00 52.12 N ATOM 379 CA ARG A 26 9.700 -7.780 5.513 1.00 40.01 C ATOM 380 C ARG A 26 8.208 -7.479 5.624 1.00 22.10 C ATOM 381 O ARG A 26 7.370 -8.298 5.246 1.00 32.53 O ATOM 382 CB ARG A 26 10.326 -7.830 6.908 1.00 64.03 C ATOM 383 CG ARG A 26 10.391 -9.230 7.497 1.00 54.24 C ATOM 384 CD ARG A 26 9.007 -9.747 7.857 1.00 54.33 C ATOM 385 NE ARG A 26 9.052 -10.718 8.946 1.00 34.23 N ATOM 386 CZ ARG A 26 7.997 -11.418 9.351 1.00 4.53 C ATOM 387 NH1 ARG A 26 6.822 -11.254 8.760 1.00 62.24 N ATOM 388 NH2 ARG A 26 8.118 -12.283 10.350 1.00 53.01 N ATOM 0 H ARG A 26 11.169 -6.331 5.142 1.00 52.12 H new ATOM 0 HA ARG A 26 9.823 -8.750 5.032 1.00 40.01 H new ATOM 0 HB2 ARG A 26 11.334 -7.418 6.860 1.00 64.03 H new ATOM 0 HB3 ARG A 26 9.752 -7.190 7.578 1.00 64.03 H new ATOM 0 HG2 ARG A 26 10.858 -9.906 6.781 1.00 54.24 H new ATOM 0 HG3 ARG A 26 11.021 -9.223 8.387 1.00 54.24 H new ATOM 0 HD2 ARG A 26 8.371 -8.910 8.144 1.00 54.33 H new ATOM 0 HD3 ARG A 26 8.552 -10.207 6.980 1.00 54.33 H new ATOM 0 HE ARG A 26 9.942 -10.868 9.422 1.00 34.23 H new ATOM 0 HH11 ARG A 26 6.726 -10.589 7.992 1.00 62.24 H new ATOM 0 HH12 ARG A 26 6.014 -11.792 9.073 1.00 62.24 H new ATOM 0 HH21 ARG A 26 9.021 -12.411 10.807 1.00 53.01 H new ATOM 0 HH22 ARG A 26 7.308 -12.820 10.661 1.00 53.01 H new ATOM 402 N CYS A 27 7.885 -6.301 6.145 1.00 50.44 N ATOM 403 CA CYS A 27 6.494 -5.892 6.307 1.00 42.01 C ATOM 404 C CYS A 27 6.081 -4.922 5.205 1.00 15.43 C ATOM 405 O CYS A 27 4.907 -4.575 5.080 1.00 74.15 O ATOM 406 CB CYS A 27 6.288 -5.245 7.677 1.00 34.12 C ATOM 407 SG CYS A 27 7.418 -3.877 8.026 1.00 72.51 S ATOM 0 H CYS A 27 8.567 -5.612 6.463 1.00 50.44 H new ATOM 0 HA CYS A 27 5.868 -6.782 6.236 1.00 42.01 H new ATOM 0 HB2 CYS A 27 5.263 -4.881 7.744 1.00 34.12 H new ATOM 0 HB3 CYS A 27 6.407 -6.006 8.448 1.00 34.12 H new ATOM 412 N GLU A 28 7.054 -4.486 4.411 1.00 12.14 N ATOM 413 CA GLU A 28 6.790 -3.553 3.322 1.00 20.11 C ATOM 414 C GLU A 28 6.332 -2.202 3.862 1.00 14.52 C ATOM 415 O GLU A 28 5.300 -1.674 3.447 1.00 4.23 O ATOM 416 CB GLU A 28 5.730 -4.124 2.378 1.00 53.41 C ATOM 417 CG GLU A 28 5.775 -3.527 0.981 1.00 35.40 C ATOM 418 CD GLU A 28 6.675 -4.307 0.043 1.00 42.04 C ATOM 419 OE1 GLU A 28 7.903 -4.314 0.268 1.00 63.23 O ATOM 420 OE2 GLU A 28 6.151 -4.910 -0.917 1.00 72.21 O ATOM 0 H GLU A 28 8.031 -4.764 4.501 1.00 12.14 H new ATOM 0 HA GLU A 28 7.718 -3.407 2.769 1.00 20.11 H new ATOM 0 HB2 GLU A 28 5.862 -5.204 2.307 1.00 53.41 H new ATOM 0 HB3 GLU A 28 4.743 -3.951 2.806 1.00 53.41 H new ATOM 0 HG2 GLU A 28 4.766 -3.497 0.570 1.00 35.40 H new ATOM 0 HG3 GLU A 28 6.125 -2.496 1.041 1.00 35.40 H new ATOM 427 N GLU A 29 7.106 -1.648 4.791 1.00 72.34 N ATOM 428 CA GLU A 29 6.778 -0.359 5.388 1.00 22.34 C ATOM 429 C GLU A 29 8.025 0.511 5.523 1.00 72.42 C ATOM 430 O GLU A 29 9.103 0.144 5.057 1.00 65.22 O ATOM 431 CB GLU A 29 6.131 -0.558 6.761 1.00 64.22 C ATOM 432 CG GLU A 29 4.689 -0.085 6.828 1.00 3.43 C ATOM 433 CD GLU A 29 4.204 0.107 8.252 1.00 2.02 C ATOM 434 OE1 GLU A 29 5.008 -0.102 9.185 1.00 32.42 O ATOM 435 OE2 GLU A 29 3.022 0.466 8.434 1.00 61.23 O ATOM 0 H GLU A 29 7.963 -2.072 5.146 1.00 72.34 H new ATOM 0 HA GLU A 29 6.071 0.148 4.731 1.00 22.34 H new ATOM 0 HB2 GLU A 29 6.170 -1.616 7.022 1.00 64.22 H new ATOM 0 HB3 GLU A 29 6.715 -0.023 7.510 1.00 64.22 H new ATOM 0 HG2 GLU A 29 4.593 0.856 6.286 1.00 3.43 H new ATOM 0 HG3 GLU A 29 4.049 -0.810 6.325 1.00 3.43 H new ATOM 442 N TRP A 30 7.868 1.664 6.162 1.00 14.00 N ATOM 443 CA TRP A 30 8.980 2.587 6.357 1.00 11.15 C ATOM 444 C TRP A 30 9.274 2.778 7.841 1.00 4.22 C ATOM 445 O TRP A 30 8.387 2.641 8.683 1.00 75.20 O ATOM 446 CB TRP A 30 8.669 3.937 5.708 1.00 24.24 C ATOM 447 CG TRP A 30 8.914 3.955 4.230 1.00 43.41 C ATOM 448 CD1 TRP A 30 7.999 3.719 3.245 1.00 71.55 C ATOM 449 CD2 TRP A 30 10.157 4.223 3.570 1.00 14.34 C ATOM 450 NE1 TRP A 30 8.597 3.823 2.012 1.00 44.10 N ATOM 451 CE2 TRP A 30 9.920 4.133 2.185 1.00 64.24 C ATOM 452 CE3 TRP A 30 11.445 4.533 4.015 1.00 34.13 C ATOM 453 CZ2 TRP A 30 10.925 4.340 1.244 1.00 65.34 C ATOM 454 CZ3 TRP A 30 12.441 4.738 3.080 1.00 60.40 C ATOM 455 CH2 TRP A 30 12.177 4.641 1.707 1.00 2.22 C ATOM 0 H TRP A 30 6.982 1.982 6.554 1.00 14.00 H new ATOM 0 HA TRP A 30 9.863 2.159 5.883 1.00 11.15 H new ATOM 0 HB2 TRP A 30 7.627 4.193 5.900 1.00 24.24 H new ATOM 0 HB3 TRP A 30 9.278 4.708 6.180 1.00 24.24 H new ATOM 0 HD1 TRP A 30 6.958 3.485 3.410 1.00 71.55 H new ATOM 0 HE1 TRP A 30 8.131 3.691 1.114 1.00 44.10 H new ATOM 0 HE3 TRP A 30 11.658 4.611 5.071 1.00 34.13 H new ATOM 0 HZ2 TRP A 30 10.723 4.266 0.186 1.00 65.34 H new ATOM 0 HZ3 TRP A 30 13.440 4.977 3.413 1.00 60.40 H new ATOM 0 HH2 TRP A 30 12.977 4.807 1.001 1.00 2.22 H new ATOM 466 N PHE A 31 10.526 3.096 8.156 1.00 51.05 N ATOM 467 CA PHE A 31 10.937 3.305 9.539 1.00 41.42 C ATOM 468 C PHE A 31 11.969 4.426 9.636 1.00 34.50 C ATOM 469 O PHE A 31 12.457 4.924 8.622 1.00 44.52 O ATOM 470 CB PHE A 31 11.513 2.014 10.123 1.00 64.12 C ATOM 471 CG PHE A 31 10.504 0.909 10.246 1.00 72.31 C ATOM 472 CD1 PHE A 31 10.261 0.053 9.184 1.00 54.24 C ATOM 473 CD2 PHE A 31 9.797 0.726 11.424 1.00 64.22 C ATOM 474 CE1 PHE A 31 9.332 -0.965 9.294 1.00 64.15 C ATOM 475 CE2 PHE A 31 8.868 -0.291 11.540 1.00 44.12 C ATOM 476 CZ PHE A 31 8.635 -1.137 10.473 1.00 13.40 C ATOM 0 H PHE A 31 11.273 3.214 7.472 1.00 51.05 H new ATOM 0 HA PHE A 31 10.057 3.594 10.114 1.00 41.42 H new ATOM 0 HB2 PHE A 31 12.336 1.675 9.493 1.00 64.12 H new ATOM 0 HB3 PHE A 31 11.931 2.225 11.107 1.00 64.12 H new ATOM 0 HD1 PHE A 31 10.804 0.183 8.259 1.00 54.24 H new ATOM 0 HD2 PHE A 31 9.974 1.385 12.261 1.00 64.22 H new ATOM 0 HE1 PHE A 31 9.152 -1.625 8.458 1.00 64.15 H new ATOM 0 HE2 PHE A 31 8.325 -0.424 12.464 1.00 44.12 H new ATOM 0 HZ PHE A 31 7.909 -1.932 10.561 1.00 13.40 H new ATOM 486 N HIS A 32 12.295 4.817 10.864 1.00 72.31 N ATOM 487 CA HIS A 32 13.268 5.878 11.095 1.00 42.01 C ATOM 488 C HIS A 32 14.618 5.297 11.505 1.00 42.30 C ATOM 489 O HIS A 32 14.702 4.483 12.423 1.00 13.04 O ATOM 490 CB HIS A 32 12.763 6.836 12.174 1.00 1.20 C ATOM 491 CG HIS A 32 11.755 7.825 11.673 1.00 24.33 C ATOM 492 ND1 HIS A 32 10.551 8.056 12.304 1.00 41.54 N ATOM 493 CD2 HIS A 32 11.779 8.645 10.597 1.00 60.11 C ATOM 494 CE1 HIS A 32 9.877 8.975 11.636 1.00 52.24 C ATOM 495 NE2 HIS A 32 10.600 9.349 10.596 1.00 42.23 N ATOM 0 H HIS A 32 11.900 4.415 11.714 1.00 72.31 H new ATOM 0 HA HIS A 32 13.397 6.428 10.163 1.00 42.01 H new ATOM 0 HB2 HIS A 32 12.320 6.257 12.984 1.00 1.20 H new ATOM 0 HB3 HIS A 32 13.611 7.376 12.595 1.00 1.20 H new ATOM 0 HD2 HIS A 32 12.577 8.730 9.874 1.00 60.11 H new ATOM 0 HE1 HIS A 32 8.900 9.356 11.896 1.00 52.24 H new ATOM 0 HE2 HIS A 32 10.327 10.047 9.904 1.00 42.23 H new ATOM 503 N GLY A 33 15.674 5.722 10.816 1.00 34.34 N ATOM 504 CA GLY A 33 17.005 5.233 11.123 1.00 20.52 C ATOM 505 C GLY A 33 17.357 5.390 12.589 1.00 2.41 C ATOM 506 O GLY A 33 18.127 4.602 13.138 1.00 72.30 O ATOM 0 H GLY A 33 15.631 6.396 10.051 1.00 34.34 H new ATOM 0 HA2 GLY A 33 17.075 4.181 10.847 1.00 20.52 H new ATOM 0 HA3 GLY A 33 17.735 5.771 10.518 1.00 20.52 H new ATOM 510 N ASP A 34 16.794 6.412 13.224 1.00 5.52 N ATOM 511 CA ASP A 34 17.054 6.672 14.636 1.00 72.14 C ATOM 512 C ASP A 34 16.299 5.683 15.518 1.00 74.43 C ATOM 513 O ASP A 34 16.836 5.181 16.506 1.00 40.02 O ATOM 514 CB ASP A 34 16.653 8.104 14.995 1.00 62.41 C ATOM 515 CG ASP A 34 17.743 8.837 15.751 1.00 44.40 C ATOM 516 OD1 ASP A 34 18.893 8.857 15.264 1.00 73.24 O ATOM 517 OD2 ASP A 34 17.447 9.391 16.831 1.00 44.44 O ATOM 0 H ASP A 34 16.155 7.074 12.784 1.00 5.52 H new ATOM 0 HA ASP A 34 18.122 6.547 14.813 1.00 72.14 H new ATOM 0 HB2 ASP A 34 16.416 8.652 14.083 1.00 62.41 H new ATOM 0 HB3 ASP A 34 15.746 8.084 15.599 1.00 62.41 H new ATOM 522 N CYS A 35 15.051 5.408 15.155 1.00 73.42 N ATOM 523 CA CYS A 35 14.221 4.479 15.914 1.00 15.55 C ATOM 524 C CYS A 35 14.772 3.060 15.827 1.00 2.23 C ATOM 525 O CYS A 35 14.840 2.346 16.828 1.00 13.51 O ATOM 526 CB CYS A 35 12.781 4.512 15.400 1.00 14.51 C ATOM 527 SG CYS A 35 11.915 6.065 15.728 1.00 12.54 S ATOM 0 H CYS A 35 14.592 5.815 14.340 1.00 73.42 H new ATOM 0 HA CYS A 35 14.234 4.790 16.959 1.00 15.55 H new ATOM 0 HB2 CYS A 35 12.786 4.331 14.325 1.00 14.51 H new ATOM 0 HB3 CYS A 35 12.224 3.694 15.858 1.00 14.51 H new ATOM 532 N VAL A 36 15.164 2.656 14.623 1.00 3.12 N ATOM 533 CA VAL A 36 15.710 1.322 14.405 1.00 74.34 C ATOM 534 C VAL A 36 17.183 1.260 14.792 1.00 71.15 C ATOM 535 O VAL A 36 17.708 0.193 15.107 1.00 5.44 O ATOM 536 CB VAL A 36 15.557 0.887 12.935 1.00 44.02 C ATOM 537 CG1 VAL A 36 14.093 0.653 12.596 1.00 42.42 C ATOM 538 CG2 VAL A 36 16.169 1.925 12.007 1.00 40.55 C ATOM 0 H VAL A 36 15.114 3.233 13.784 1.00 3.12 H new ATOM 0 HA VAL A 36 15.143 0.640 15.039 1.00 74.34 H new ATOM 0 HB VAL A 36 16.091 -0.053 12.795 1.00 44.02 H new ATOM 0 HG11 VAL A 36 14.005 0.347 11.554 1.00 42.42 H new ATOM 0 HG12 VAL A 36 13.691 -0.130 13.239 1.00 42.42 H new ATOM 0 HG13 VAL A 36 13.532 1.574 12.752 1.00 42.42 H new ATOM 0 HG21 VAL A 36 16.052 1.602 10.973 1.00 40.55 H new ATOM 0 HG22 VAL A 36 15.665 2.881 12.148 1.00 40.55 H new ATOM 0 HG23 VAL A 36 17.229 2.037 12.235 1.00 40.55 H new ATOM 548 N GLY A 37 17.845 2.413 14.765 1.00 62.31 N ATOM 549 CA GLY A 37 19.252 2.468 15.115 1.00 3.04 C ATOM 550 C GLY A 37 20.147 2.623 13.901 1.00 14.03 C ATOM 551 O GLY A 37 21.322 2.969 14.028 1.00 74.31 O ATOM 0 H GLY A 37 17.432 3.309 14.507 1.00 62.31 H new ATOM 0 HA2 GLY A 37 19.421 3.302 15.796 1.00 3.04 H new ATOM 0 HA3 GLY A 37 19.526 1.559 15.650 1.00 3.04 H new ATOM 555 N ILE A 38 19.591 2.365 12.722 1.00 13.43 N ATOM 556 CA ILE A 38 20.346 2.478 11.481 1.00 25.10 C ATOM 557 C ILE A 38 20.792 3.916 11.237 1.00 73.22 C ATOM 558 O ILE A 38 20.000 4.851 11.357 1.00 72.50 O ATOM 559 CB ILE A 38 19.521 1.996 10.274 1.00 71.15 C ATOM 560 CG1 ILE A 38 19.094 0.540 10.469 1.00 71.34 C ATOM 561 CG2 ILE A 38 20.321 2.151 8.989 1.00 51.41 C ATOM 562 CD1 ILE A 38 20.247 -0.438 10.432 1.00 23.33 C ATOM 0 H ILE A 38 18.620 2.076 12.601 1.00 13.43 H new ATOM 0 HA ILE A 38 21.224 1.841 11.587 1.00 25.10 H new ATOM 0 HB ILE A 38 18.624 2.611 10.197 1.00 71.15 H new ATOM 0 HG12 ILE A 38 18.579 0.446 11.425 1.00 71.34 H new ATOM 0 HG13 ILE A 38 18.377 0.273 9.693 1.00 71.34 H new ATOM 0 HG21 ILE A 38 19.724 1.806 8.145 1.00 51.41 H new ATOM 0 HG22 ILE A 38 20.580 3.200 8.846 1.00 51.41 H new ATOM 0 HG23 ILE A 38 21.233 1.558 9.055 1.00 51.41 H new ATOM 0 HD11 ILE A 38 19.870 -1.450 10.577 1.00 23.33 H new ATOM 0 HD12 ILE A 38 20.749 -0.372 9.467 1.00 23.33 H new ATOM 0 HD13 ILE A 38 20.954 -0.197 11.226 1.00 23.33 H new ATOM 574 N SER A 39 22.064 4.085 10.892 1.00 41.04 N ATOM 575 CA SER A 39 22.616 5.410 10.632 1.00 70.51 C ATOM 576 C SER A 39 22.348 5.837 9.192 1.00 12.01 C ATOM 577 O SER A 39 22.146 5.000 8.313 1.00 50.21 O ATOM 578 CB SER A 39 24.121 5.421 10.907 1.00 12.24 C ATOM 579 OG SER A 39 24.419 4.788 12.140 1.00 74.03 O ATOM 0 H SER A 39 22.732 3.321 10.786 1.00 41.04 H new ATOM 0 HA SER A 39 22.126 6.118 11.300 1.00 70.51 H new ATOM 0 HB2 SER A 39 24.645 4.913 10.098 1.00 12.24 H new ATOM 0 HB3 SER A 39 24.483 6.449 10.926 1.00 12.24 H new ATOM 0 HG SER A 39 25.387 4.807 12.292 1.00 74.03 H new ATOM 585 N GLU A 40 22.347 7.146 8.960 1.00 4.14 N ATOM 586 CA GLU A 40 22.103 7.685 7.628 1.00 41.23 C ATOM 587 C GLU A 40 23.021 7.031 6.599 1.00 24.14 C ATOM 588 O GLU A 40 22.624 6.793 5.459 1.00 1.32 O ATOM 589 CB GLU A 40 22.310 9.201 7.621 1.00 50.31 C ATOM 590 CG GLU A 40 21.993 9.853 6.285 1.00 20.33 C ATOM 591 CD GLU A 40 23.220 10.011 5.408 1.00 55.12 C ATOM 592 OE1 GLU A 40 24.268 10.447 5.926 1.00 4.22 O ATOM 593 OE2 GLU A 40 23.130 9.698 4.202 1.00 52.20 O ATOM 0 H GLU A 40 22.512 7.852 9.677 1.00 4.14 H new ATOM 0 HA GLU A 40 21.070 7.465 7.359 1.00 41.23 H new ATOM 0 HB2 GLU A 40 21.683 9.648 8.392 1.00 50.31 H new ATOM 0 HB3 GLU A 40 23.345 9.419 7.886 1.00 50.31 H new ATOM 0 HG2 GLU A 40 21.250 9.253 5.759 1.00 20.33 H new ATOM 0 HG3 GLU A 40 21.547 10.832 6.459 1.00 20.33 H new ATOM 600 N ALA A 41 24.252 6.743 7.012 1.00 55.12 N ATOM 601 CA ALA A 41 25.226 6.115 6.128 1.00 1.41 C ATOM 602 C ALA A 41 24.933 4.629 5.956 1.00 63.24 C ATOM 603 O ALA A 41 24.886 4.122 4.835 1.00 71.22 O ATOM 604 CB ALA A 41 26.635 6.319 6.666 1.00 34.14 C ATOM 0 H ALA A 41 24.597 6.935 7.952 1.00 55.12 H new ATOM 0 HA ALA A 41 25.151 6.589 5.149 1.00 1.41 H new ATOM 0 HB1 ALA A 41 27.352 5.845 5.996 1.00 34.14 H new ATOM 0 HB2 ALA A 41 26.849 7.386 6.731 1.00 34.14 H new ATOM 0 HB3 ALA A 41 26.714 5.872 7.657 1.00 34.14 H new ATOM 610 N ARG A 42 24.738 3.935 7.073 1.00 44.45 N ATOM 611 CA ARG A 42 24.452 2.506 7.044 1.00 2.13 C ATOM 612 C ARG A 42 23.223 2.215 6.188 1.00 20.55 C ATOM 613 O ARG A 42 23.249 1.340 5.323 1.00 5.43 O ATOM 614 CB ARG A 42 24.235 1.980 8.464 1.00 31.31 C ATOM 615 CG ARG A 42 24.096 0.468 8.539 1.00 62.14 C ATOM 616 CD ARG A 42 25.442 -0.205 8.761 1.00 12.43 C ATOM 617 NE ARG A 42 25.503 -1.526 8.142 1.00 54.33 N ATOM 618 CZ ARG A 42 26.553 -2.334 8.236 1.00 54.12 C ATOM 619 NH1 ARG A 42 27.623 -1.958 8.921 1.00 4.12 N ATOM 620 NH2 ARG A 42 26.532 -3.521 7.644 1.00 65.40 N ATOM 0 H ARG A 42 24.773 4.339 8.009 1.00 44.45 H new ATOM 0 HA ARG A 42 25.309 1.997 6.602 1.00 2.13 H new ATOM 0 HB2 ARG A 42 25.072 2.291 9.089 1.00 31.31 H new ATOM 0 HB3 ARG A 42 23.338 2.440 8.880 1.00 31.31 H new ATOM 0 HG2 ARG A 42 23.418 0.204 9.350 1.00 62.14 H new ATOM 0 HG3 ARG A 42 23.650 0.096 7.617 1.00 62.14 H new ATOM 0 HD2 ARG A 42 26.233 0.424 8.352 1.00 12.43 H new ATOM 0 HD3 ARG A 42 25.629 -0.297 9.831 1.00 12.43 H new ATOM 0 HE ARG A 42 24.695 -1.846 7.608 1.00 54.33 H new ATOM 0 HH11 ARG A 42 27.642 -1.046 9.378 1.00 4.12 H new ATOM 0 HH12 ARG A 42 28.428 -2.580 8.992 1.00 4.12 H new ATOM 0 HH21 ARG A 42 25.709 -3.813 7.116 1.00 65.40 H new ATOM 0 HH22 ARG A 42 27.338 -4.141 7.716 1.00 65.40 H new ATOM 634 N GLY A 43 22.146 2.953 6.437 1.00 11.54 N ATOM 635 CA GLY A 43 20.922 2.759 5.682 1.00 20.33 C ATOM 636 C GLY A 43 21.121 2.961 4.193 1.00 20.23 C ATOM 637 O GLY A 43 20.717 2.123 3.387 1.00 63.31 O ATOM 0 H GLY A 43 22.099 3.682 7.149 1.00 11.54 H new ATOM 0 HA2 GLY A 43 20.544 1.753 5.862 1.00 20.33 H new ATOM 0 HA3 GLY A 43 20.163 3.454 6.042 1.00 20.33 H new ATOM 641 N ARG A 44 21.744 4.076 3.827 1.00 15.52 N ATOM 642 CA ARG A 44 21.992 4.387 2.425 1.00 44.43 C ATOM 643 C ARG A 44 22.893 3.334 1.786 1.00 53.02 C ATOM 644 O ARG A 44 22.852 3.120 0.573 1.00 22.14 O ATOM 645 CB ARG A 44 22.634 5.770 2.293 1.00 61.11 C ATOM 646 CG ARG A 44 21.685 6.834 1.767 1.00 40.21 C ATOM 647 CD ARG A 44 21.254 6.539 0.339 1.00 53.33 C ATOM 648 NE ARG A 44 21.841 7.477 -0.615 1.00 34.11 N ATOM 649 CZ ARG A 44 21.614 7.433 -1.923 1.00 14.20 C ATOM 650 NH1 ARG A 44 20.816 6.503 -2.430 1.00 43.11 N ATOM 651 NH2 ARG A 44 22.184 8.322 -2.727 1.00 23.44 N ATOM 0 H ARG A 44 22.086 4.779 4.482 1.00 15.52 H new ATOM 0 HA ARG A 44 21.035 4.387 1.904 1.00 44.43 H new ATOM 0 HB2 ARG A 44 23.011 6.081 3.267 1.00 61.11 H new ATOM 0 HB3 ARG A 44 23.494 5.700 1.626 1.00 61.11 H new ATOM 0 HG2 ARG A 44 20.806 6.889 2.409 1.00 40.21 H new ATOM 0 HG3 ARG A 44 22.171 7.809 1.808 1.00 40.21 H new ATOM 0 HD2 ARG A 44 21.546 5.523 0.075 1.00 53.33 H new ATOM 0 HD3 ARG A 44 20.167 6.586 0.271 1.00 53.33 H new ATOM 0 HE ARG A 44 22.459 8.205 -0.257 1.00 34.11 H new ATOM 0 HH11 ARG A 44 20.375 5.819 -1.815 1.00 43.11 H new ATOM 0 HH12 ARG A 44 20.643 6.472 -3.435 1.00 43.11 H new ATOM 0 HH21 ARG A 44 22.797 9.040 -2.341 1.00 23.44 H new ATOM 0 HH22 ARG A 44 22.009 8.287 -3.731 1.00 23.44 H new ATOM 665 N LEU A 45 23.705 2.680 2.609 1.00 74.54 N ATOM 666 CA LEU A 45 24.616 1.648 2.124 1.00 12.34 C ATOM 667 C LEU A 45 23.843 0.449 1.585 1.00 63.22 C ATOM 668 O LEU A 45 24.123 -0.042 0.490 1.00 24.45 O ATOM 669 CB LEU A 45 25.555 1.202 3.246 1.00 33.24 C ATOM 670 CG LEU A 45 27.030 1.058 2.870 1.00 73.11 C ATOM 671 CD1 LEU A 45 27.892 1.968 3.731 1.00 54.33 C ATOM 672 CD2 LEU A 45 27.477 -0.390 3.008 1.00 34.25 C ATOM 0 H LEU A 45 23.752 2.845 3.614 1.00 74.54 H new ATOM 0 HA LEU A 45 25.206 2.071 1.311 1.00 12.34 H new ATOM 0 HB2 LEU A 45 25.478 1.919 4.064 1.00 33.24 H new ATOM 0 HB3 LEU A 45 25.203 0.244 3.628 1.00 33.24 H new ATOM 0 HG LEU A 45 27.150 1.357 1.829 1.00 73.11 H new ATOM 0 HD11 LEU A 45 28.938 1.852 3.449 1.00 54.33 H new ATOM 0 HD12 LEU A 45 27.589 3.004 3.582 1.00 54.33 H new ATOM 0 HD13 LEU A 45 27.767 1.701 4.780 1.00 54.33 H new ATOM 0 HD21 LEU A 45 28.529 -0.473 2.736 1.00 34.25 H new ATOM 0 HD22 LEU A 45 27.342 -0.716 4.039 1.00 34.25 H new ATOM 0 HD23 LEU A 45 26.881 -1.019 2.347 1.00 34.25 H new ATOM 684 N LEU A 46 22.869 -0.017 2.358 1.00 32.10 N ATOM 685 CA LEU A 46 22.053 -1.158 1.957 1.00 22.20 C ATOM 686 C LEU A 46 21.186 -0.811 0.751 1.00 45.11 C ATOM 687 O LEU A 46 20.851 -1.679 -0.054 1.00 50.12 O ATOM 688 CB LEU A 46 21.170 -1.613 3.120 1.00 12.32 C ATOM 689 CG LEU A 46 21.883 -1.847 4.453 1.00 54.14 C ATOM 690 CD1 LEU A 46 20.902 -2.346 5.502 1.00 32.41 C ATOM 691 CD2 LEU A 46 23.028 -2.833 4.278 1.00 23.24 C ATOM 0 H LEU A 46 22.625 0.377 3.266 1.00 32.10 H new ATOM 0 HA LEU A 46 22.723 -1.971 1.678 1.00 22.20 H new ATOM 0 HB2 LEU A 46 20.392 -0.865 3.273 1.00 12.32 H new ATOM 0 HB3 LEU A 46 20.671 -2.538 2.831 1.00 12.32 H new ATOM 0 HG LEU A 46 22.296 -0.898 4.795 1.00 54.14 H new ATOM 0 HD11 LEU A 46 21.427 -2.507 6.444 1.00 32.41 H new ATOM 0 HD12 LEU A 46 20.116 -1.605 5.647 1.00 32.41 H new ATOM 0 HD13 LEU A 46 20.459 -3.284 5.169 1.00 32.41 H new ATOM 0 HD21 LEU A 46 23.524 -2.988 5.236 1.00 23.24 H new ATOM 0 HD22 LEU A 46 22.637 -3.783 3.914 1.00 23.24 H new ATOM 0 HD23 LEU A 46 23.744 -2.435 3.559 1.00 23.24 H new ATOM 703 N GLU A 47 20.830 0.464 0.632 1.00 14.24 N ATOM 704 CA GLU A 47 20.003 0.926 -0.477 1.00 22.51 C ATOM 705 C GLU A 47 20.780 0.880 -1.790 1.00 10.54 C ATOM 706 O GLU A 47 20.246 0.486 -2.826 1.00 55.22 O ATOM 707 CB GLU A 47 19.506 2.349 -0.214 1.00 61.43 C ATOM 708 CG GLU A 47 17.992 2.469 -0.186 1.00 73.12 C ATOM 709 CD GLU A 47 17.521 3.753 0.469 1.00 74.14 C ATOM 710 OE1 GLU A 47 18.316 4.713 0.534 1.00 62.00 O ATOM 711 OE2 GLU A 47 16.355 3.797 0.916 1.00 41.25 O ATOM 0 H GLU A 47 21.101 1.195 1.289 1.00 14.24 H new ATOM 0 HA GLU A 47 19.144 0.260 -0.559 1.00 22.51 H new ATOM 0 HB2 GLU A 47 19.907 2.695 0.739 1.00 61.43 H new ATOM 0 HB3 GLU A 47 19.900 3.011 -0.985 1.00 61.43 H new ATOM 0 HG2 GLU A 47 17.609 2.424 -1.205 1.00 73.12 H new ATOM 0 HG3 GLU A 47 17.574 1.617 0.350 1.00 73.12 H new ATOM 718 N ARG A 48 22.044 1.288 -1.737 1.00 31.24 N ATOM 719 CA ARG A 48 22.894 1.296 -2.921 1.00 3.02 C ATOM 720 C ARG A 48 23.334 -0.119 -3.284 1.00 61.21 C ATOM 721 O ARG A 48 23.515 -0.441 -4.457 1.00 64.34 O ATOM 722 CB ARG A 48 24.122 2.179 -2.687 1.00 74.14 C ATOM 723 CG ARG A 48 24.172 3.402 -3.588 1.00 64.14 C ATOM 724 CD ARG A 48 23.346 4.546 -3.022 1.00 22.02 C ATOM 725 NE ARG A 48 24.166 5.493 -2.270 1.00 54.15 N ATOM 726 CZ ARG A 48 24.969 6.384 -2.841 1.00 52.01 C ATOM 727 NH1 ARG A 48 25.060 6.449 -4.162 1.00 55.42 N ATOM 728 NH2 ARG A 48 25.683 7.212 -2.090 1.00 10.43 N ATOM 0 H ARG A 48 22.502 1.617 -0.887 1.00 31.24 H new ATOM 0 HA ARG A 48 22.315 1.702 -3.750 1.00 3.02 H new ATOM 0 HB2 ARG A 48 24.133 2.504 -1.647 1.00 74.14 H new ATOM 0 HB3 ARG A 48 25.022 1.585 -2.845 1.00 74.14 H new ATOM 0 HG2 ARG A 48 25.206 3.724 -3.709 1.00 64.14 H new ATOM 0 HG3 ARG A 48 23.802 3.140 -4.579 1.00 64.14 H new ATOM 0 HD2 ARG A 48 22.844 5.068 -3.836 1.00 22.02 H new ATOM 0 HD3 ARG A 48 22.568 4.145 -2.373 1.00 22.02 H new ATOM 0 HE ARG A 48 24.119 5.469 -1.251 1.00 54.15 H new ATOM 0 HH11 ARG A 48 24.513 5.814 -4.743 1.00 55.42 H new ATOM 0 HH12 ARG A 48 25.677 7.134 -4.598 1.00 55.42 H new ATOM 0 HH21 ARG A 48 25.616 7.165 -1.073 1.00 10.43 H new ATOM 0 HH22 ARG A 48 26.299 7.896 -2.529 1.00 10.43 H new ATOM 742 N ASN A 49 23.504 -0.960 -2.269 1.00 2.55 N ATOM 743 CA ASN A 49 23.924 -2.340 -2.481 1.00 31.02 C ATOM 744 C ASN A 49 22.737 -3.216 -2.870 1.00 12.21 C ATOM 745 O ASN A 49 22.903 -4.268 -3.486 1.00 44.51 O ATOM 746 CB ASN A 49 24.588 -2.893 -1.218 1.00 72.11 C ATOM 747 CG ASN A 49 26.087 -2.665 -1.206 1.00 61.41 C ATOM 748 OD1 ASN A 49 26.750 -2.769 -2.238 1.00 41.43 O ATOM 749 ND2 ASN A 49 26.629 -2.354 -0.034 1.00 53.13 N ATOM 0 H ASN A 49 23.357 -0.710 -1.291 1.00 2.55 H new ATOM 0 HA ASN A 49 24.646 -2.353 -3.298 1.00 31.02 H new ATOM 0 HB2 ASN A 49 24.144 -2.421 -0.341 1.00 72.11 H new ATOM 0 HB3 ASN A 49 24.385 -3.961 -1.142 1.00 72.11 H new ATOM 0 HD21 ASN A 49 27.633 -2.191 0.036 1.00 53.13 H new ATOM 0 HD22 ASN A 49 26.041 -2.279 0.796 1.00 53.13 H new ATOM 756 N GLY A 50 21.537 -2.773 -2.506 1.00 20.13 N ATOM 757 CA GLY A 50 20.339 -3.528 -2.825 1.00 44.24 C ATOM 758 C GLY A 50 20.058 -4.623 -1.816 1.00 73.11 C ATOM 759 O GLY A 50 19.454 -5.642 -2.149 1.00 72.05 O ATOM 0 H GLY A 50 21.373 -1.905 -1.996 1.00 20.13 H new ATOM 0 HA2 GLY A 50 19.487 -2.850 -2.868 1.00 44.24 H new ATOM 0 HA3 GLY A 50 20.445 -3.970 -3.816 1.00 44.24 H new ATOM 763 N GLU A 51 20.498 -4.413 -0.579 1.00 74.52 N ATOM 764 CA GLU A 51 20.291 -5.393 0.481 1.00 71.43 C ATOM 765 C GLU A 51 18.945 -5.178 1.166 1.00 14.41 C ATOM 766 O GLU A 51 18.685 -4.112 1.726 1.00 73.30 O ATOM 767 CB GLU A 51 21.419 -5.309 1.511 1.00 63.23 C ATOM 768 CG GLU A 51 22.617 -6.181 1.173 1.00 4.44 C ATOM 769 CD GLU A 51 22.846 -7.279 2.194 1.00 53.12 C ATOM 770 OE1 GLU A 51 22.275 -8.376 2.023 1.00 61.31 O ATOM 771 OE2 GLU A 51 23.596 -7.040 3.164 1.00 73.25 O ATOM 0 H GLU A 51 20.999 -3.574 -0.287 1.00 74.52 H new ATOM 0 HA GLU A 51 20.294 -6.385 0.029 1.00 71.43 H new ATOM 0 HB2 GLU A 51 21.747 -4.273 1.595 1.00 63.23 H new ATOM 0 HB3 GLU A 51 21.031 -5.601 2.487 1.00 63.23 H new ATOM 0 HG2 GLU A 51 22.470 -6.629 0.190 1.00 4.44 H new ATOM 0 HG3 GLU A 51 23.509 -5.558 1.109 1.00 4.44 H new ATOM 778 N ASP A 52 18.093 -6.196 1.117 1.00 13.30 N ATOM 779 CA ASP A 52 16.773 -6.119 1.733 1.00 2.11 C ATOM 780 C ASP A 52 16.888 -5.979 3.248 1.00 40.01 C ATOM 781 O ASP A 52 17.074 -6.966 3.960 1.00 15.13 O ATOM 782 CB ASP A 52 15.951 -7.360 1.384 1.00 32.30 C ATOM 783 CG ASP A 52 15.435 -7.331 -0.041 1.00 62.24 C ATOM 784 OD1 ASP A 52 15.265 -6.221 -0.588 1.00 22.42 O ATOM 785 OD2 ASP A 52 15.201 -8.418 -0.610 1.00 72.22 O ATOM 0 H ASP A 52 18.293 -7.084 0.657 1.00 13.30 H new ATOM 0 HA ASP A 52 16.267 -5.236 1.342 1.00 2.11 H new ATOM 0 HB2 ASP A 52 16.564 -8.250 1.527 1.00 32.30 H new ATOM 0 HB3 ASP A 52 15.108 -7.439 2.071 1.00 32.30 H new ATOM 790 N TYR A 53 16.778 -4.747 3.733 1.00 74.40 N ATOM 791 CA TYR A 53 16.873 -4.478 5.163 1.00 54.32 C ATOM 792 C TYR A 53 15.593 -4.893 5.882 1.00 54.13 C ATOM 793 O TYR A 53 14.499 -4.809 5.323 1.00 74.34 O ATOM 794 CB TYR A 53 17.149 -2.993 5.406 1.00 54.02 C ATOM 795 CG TYR A 53 16.895 -2.555 6.831 1.00 60.33 C ATOM 796 CD1 TYR A 53 15.643 -2.100 7.226 1.00 71.51 C ATOM 797 CD2 TYR A 53 17.907 -2.596 7.781 1.00 3.54 C ATOM 798 CE1 TYR A 53 15.407 -1.699 8.526 1.00 14.15 C ATOM 799 CE2 TYR A 53 17.680 -2.197 9.084 1.00 33.34 C ATOM 800 CZ TYR A 53 16.428 -1.750 9.452 1.00 10.41 C ATOM 801 OH TYR A 53 16.198 -1.351 10.749 1.00 54.33 O ATOM 0 H TYR A 53 16.623 -3.919 3.157 1.00 74.40 H new ATOM 0 HA TYR A 53 17.699 -5.065 5.563 1.00 54.32 H new ATOM 0 HB2 TYR A 53 18.186 -2.778 5.148 1.00 54.02 H new ATOM 0 HB3 TYR A 53 16.525 -2.402 4.736 1.00 54.02 H new ATOM 0 HD1 TYR A 53 14.841 -2.059 6.504 1.00 71.51 H new ATOM 0 HD2 TYR A 53 18.888 -2.946 7.496 1.00 3.54 H new ATOM 0 HE1 TYR A 53 14.428 -1.347 8.816 1.00 14.15 H new ATOM 0 HE2 TYR A 53 18.478 -2.235 9.810 1.00 33.34 H new ATOM 0 HH TYR A 53 17.020 -1.450 11.273 1.00 54.33 H new ATOM 811 N ILE A 54 15.738 -5.340 7.124 1.00 4.14 N ATOM 812 CA ILE A 54 14.595 -5.767 7.921 1.00 11.42 C ATOM 813 C ILE A 54 14.598 -5.096 9.291 1.00 64.21 C ATOM 814 O ILE A 54 15.456 -5.378 10.129 1.00 52.00 O ATOM 815 CB ILE A 54 14.579 -7.295 8.110 1.00 3.03 C ATOM 816 CG1 ILE A 54 14.475 -7.997 6.755 1.00 65.41 C ATOM 817 CG2 ILE A 54 13.427 -7.705 9.015 1.00 30.01 C ATOM 818 CD1 ILE A 54 14.438 -9.506 6.858 1.00 71.15 C ATOM 0 H ILE A 54 16.636 -5.416 7.601 1.00 4.14 H new ATOM 0 HA ILE A 54 13.701 -5.468 7.375 1.00 11.42 H new ATOM 0 HB ILE A 54 15.513 -7.597 8.584 1.00 3.03 H new ATOM 0 HG12 ILE A 54 13.575 -7.653 6.245 1.00 65.41 H new ATOM 0 HG13 ILE A 54 15.323 -7.704 6.137 1.00 65.41 H new ATOM 0 HG21 ILE A 54 13.429 -8.788 9.139 1.00 30.01 H new ATOM 0 HG22 ILE A 54 13.542 -7.228 9.988 1.00 30.01 H new ATOM 0 HG23 ILE A 54 12.484 -7.393 8.567 1.00 30.01 H new ATOM 0 HD11 ILE A 54 14.364 -9.937 5.860 1.00 71.15 H new ATOM 0 HD12 ILE A 54 15.349 -9.860 7.339 1.00 71.15 H new ATOM 0 HD13 ILE A 54 13.574 -9.809 7.449 1.00 71.15 H new ATOM 830 N CYS A 55 13.634 -4.210 9.512 1.00 41.21 N ATOM 831 CA CYS A 55 13.525 -3.499 10.781 1.00 31.31 C ATOM 832 C CYS A 55 13.645 -4.464 11.956 1.00 30.13 C ATOM 833 O CYS A 55 13.379 -5.660 11.839 1.00 61.52 O ATOM 834 CB CYS A 55 12.195 -2.748 10.856 1.00 32.20 C ATOM 835 SG CYS A 55 10.740 -3.801 10.645 1.00 52.43 S ATOM 0 H CYS A 55 12.916 -3.967 8.829 1.00 41.21 H new ATOM 0 HA CYS A 55 14.343 -2.781 10.839 1.00 31.31 H new ATOM 0 HB2 CYS A 55 12.129 -2.244 11.820 1.00 32.20 H new ATOM 0 HB3 CYS A 55 12.184 -1.973 10.089 1.00 32.20 H new ATOM 840 N PRO A 56 14.057 -3.934 13.118 1.00 73.04 N ATOM 841 CA PRO A 56 14.223 -4.731 14.337 1.00 52.13 C ATOM 842 C PRO A 56 12.889 -5.198 14.910 1.00 23.11 C ATOM 843 O PRO A 56 12.851 -5.987 15.853 1.00 11.45 O ATOM 844 CB PRO A 56 14.910 -3.763 15.303 1.00 42.54 C ATOM 845 CG PRO A 56 14.516 -2.408 14.825 1.00 45.44 C ATOM 846 CD PRO A 56 14.391 -2.516 13.330 1.00 3.21 C ATOM 0 HA PRO A 56 14.789 -5.644 14.153 1.00 52.13 H new ATOM 0 HB2 PRO A 56 14.585 -3.931 16.330 1.00 42.54 H new ATOM 0 HB3 PRO A 56 15.993 -3.889 15.287 1.00 42.54 H new ATOM 0 HG2 PRO A 56 13.573 -2.095 15.274 1.00 45.44 H new ATOM 0 HG3 PRO A 56 15.263 -1.664 15.101 1.00 45.44 H new ATOM 0 HD2 PRO A 56 13.613 -1.858 12.943 1.00 3.21 H new ATOM 0 HD3 PRO A 56 15.319 -2.242 12.828 1.00 3.21 H new ATOM 854 N ASN A 57 11.798 -4.706 14.333 1.00 35.32 N ATOM 855 CA ASN A 57 10.461 -5.074 14.788 1.00 64.04 C ATOM 856 C ASN A 57 10.027 -6.404 14.180 1.00 22.51 C ATOM 857 O ASN A 57 9.432 -7.243 14.858 1.00 72.03 O ATOM 858 CB ASN A 57 9.456 -3.981 14.420 1.00 3.41 C ATOM 859 CG ASN A 57 8.668 -3.493 15.620 1.00 34.23 C ATOM 860 OD1 ASN A 57 8.585 -4.176 16.641 1.00 11.14 O ATOM 861 ND2 ASN A 57 8.083 -2.307 15.502 1.00 42.31 N ATOM 0 H ASN A 57 11.812 -4.052 13.550 1.00 35.32 H new ATOM 0 HA ASN A 57 10.490 -5.182 15.872 1.00 64.04 H new ATOM 0 HB2 ASN A 57 9.985 -3.141 13.970 1.00 3.41 H new ATOM 0 HB3 ASN A 57 8.767 -4.363 13.667 1.00 3.41 H new ATOM 0 HD21 ASN A 57 7.538 -1.928 16.276 1.00 42.31 H new ATOM 0 HD22 ASN A 57 8.178 -1.775 14.637 1.00 42.31 H new ATOM 868 N CYS A 58 10.330 -6.591 12.900 1.00 14.41 N ATOM 869 CA CYS A 58 9.971 -7.819 12.200 1.00 34.25 C ATOM 870 C CYS A 58 10.914 -8.956 12.580 1.00 73.23 C ATOM 871 O CYS A 58 10.480 -10.083 12.822 1.00 21.20 O ATOM 872 CB CYS A 58 10.002 -7.597 10.688 1.00 63.03 C ATOM 873 SG CYS A 58 8.610 -6.633 10.054 1.00 43.32 S ATOM 0 H CYS A 58 10.824 -5.908 12.326 1.00 14.41 H new ATOM 0 HA CYS A 58 8.959 -8.095 12.497 1.00 34.25 H new ATOM 0 HB2 CYS A 58 10.931 -7.090 10.425 1.00 63.03 H new ATOM 0 HB3 CYS A 58 10.016 -8.566 10.190 1.00 63.03 H new ATOM 878 N THR A 59 12.207 -8.654 12.628 1.00 65.02 N ATOM 879 CA THR A 59 13.213 -9.651 12.974 1.00 12.34 C ATOM 880 C THR A 59 12.847 -10.374 14.265 1.00 24.34 C ATOM 881 O THR A 59 13.194 -11.541 14.453 1.00 12.12 O ATOM 882 CB THR A 59 14.605 -9.012 13.134 1.00 64.13 C ATOM 883 OG1 THR A 59 15.608 -10.033 13.198 1.00 51.42 O ATOM 884 CG2 THR A 59 14.667 -8.154 14.388 1.00 20.24 C ATOM 0 H THR A 59 12.583 -7.726 12.432 1.00 65.02 H new ATOM 0 HA THR A 59 13.243 -10.369 12.154 1.00 12.34 H new ATOM 0 HB THR A 59 14.789 -8.375 12.269 1.00 64.13 H new ATOM 0 HG1 THR A 59 16.490 -9.619 13.298 1.00 51.42 H new ATOM 0 HG21 THR A 59 15.660 -7.714 14.479 1.00 20.24 H new ATOM 0 HG22 THR A 59 13.923 -7.360 14.323 1.00 20.24 H new ATOM 0 HG23 THR A 59 14.463 -8.772 15.262 1.00 20.24 H new ATOM 892 N ILE A 60 12.146 -9.676 15.151 1.00 12.35 N ATOM 893 CA ILE A 60 11.732 -10.253 16.424 1.00 21.52 C ATOM 894 C ILE A 60 10.212 -10.292 16.543 1.00 43.45 C ATOM 895 O ILE A 60 9.665 -10.331 17.645 1.00 22.14 O ATOM 896 CB ILE A 60 12.309 -9.465 17.614 1.00 11.45 C ATOM 897 CG1 ILE A 60 11.778 -8.030 17.609 1.00 51.43 C ATOM 898 CG2 ILE A 60 13.830 -9.473 17.568 1.00 15.43 C ATOM 899 CD1 ILE A 60 10.689 -7.784 18.629 1.00 32.24 C ATOM 0 H ILE A 60 11.852 -8.709 15.011 1.00 12.35 H new ATOM 0 HA ILE A 60 12.122 -11.271 16.450 1.00 21.52 H new ATOM 0 HB ILE A 60 11.991 -9.947 18.538 1.00 11.45 H new ATOM 0 HG12 ILE A 60 12.604 -7.345 17.800 1.00 51.43 H new ATOM 0 HG13 ILE A 60 11.394 -7.797 16.616 1.00 51.43 H new ATOM 0 HG21 ILE A 60 14.223 -8.912 18.416 1.00 15.43 H new ATOM 0 HG22 ILE A 60 14.190 -10.501 17.615 1.00 15.43 H new ATOM 0 HG23 ILE A 60 14.168 -9.012 16.640 1.00 15.43 H new ATOM 0 HD11 ILE A 60 10.361 -6.746 18.568 1.00 32.24 H new ATOM 0 HD12 ILE A 60 9.845 -8.444 18.427 1.00 32.24 H new ATOM 0 HD13 ILE A 60 11.075 -7.984 19.629 1.00 32.24 H new ATOM 911 N LEU A 61 9.535 -10.281 15.400 1.00 61.33 N ATOM 912 CA LEU A 61 8.077 -10.317 15.374 1.00 11.31 C ATOM 913 C LEU A 61 7.560 -10.424 13.943 1.00 31.32 C ATOM 914 O LEU A 61 6.403 -10.777 13.715 1.00 11.03 O ATOM 915 CB LEU A 61 7.505 -9.065 16.042 1.00 30.35 C ATOM 916 CG LEU A 61 6.232 -9.266 16.865 1.00 31.23 C ATOM 917 CD1 LEU A 61 6.504 -10.171 18.057 1.00 12.11 C ATOM 918 CD2 LEU A 61 5.678 -7.926 17.326 1.00 12.03 C ATOM 0 H LEU A 61 9.972 -10.247 14.479 1.00 61.33 H new ATOM 0 HA LEU A 61 7.750 -11.198 15.926 1.00 11.31 H new ATOM 0 HB2 LEU A 61 8.271 -8.642 16.692 1.00 30.35 H new ATOM 0 HB3 LEU A 61 7.300 -8.326 15.268 1.00 30.35 H new ATOM 0 HG LEU A 61 5.486 -9.747 16.233 1.00 31.23 H new ATOM 0 HD11 LEU A 61 5.587 -10.302 18.631 1.00 12.11 H new ATOM 0 HD12 LEU A 61 6.854 -11.141 17.705 1.00 12.11 H new ATOM 0 HD13 LEU A 61 7.267 -9.719 18.691 1.00 12.11 H new ATOM 0 HD21 LEU A 61 4.772 -8.088 17.910 1.00 12.03 H new ATOM 0 HD22 LEU A 61 6.420 -7.418 17.941 1.00 12.03 H new ATOM 0 HD23 LEU A 61 5.444 -7.311 16.457 1.00 12.03 H new TER 930 LEU A 61 HETATM 931 ZN ZN A 101 9.977 6.852 14.323 1.00 10.01 ZN HETATM 932 ZN ZN A 102 9.495 -4.625 9.002 1.00 64.42 ZN