USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 455 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.265 X(o=-0.27,f=-0.0021) USER MOD Single : A 52 GLN : amide:sc=-0.00843 X(o=-0.0084,f=0) USER MOD Single : A 55 GLN :FLIP amide:sc= -1.77! C(o=-3.5!,f=-1.8!) USER MOD Single : A 70 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0177) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -6.01! C(o=-6!,f=-10!) USER MOD Single : A 77 ASN : amide:sc= -0.233 K(o=-0.23,f=-0.78) USER MOD Single : A 80 GLN : amide:sc= -2.03 K(o=-2,f=-4.1!) USER MOD Single : A 81 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.17) USER MOD Single : A 84 LYS NZ :NH3+ -118:sc= -0.0215 (180deg=-1.16) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -99:sc= 0.403 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 46 2.749 0.212 -2.529 1.00 71.25 N ATOM 2 CA GLY A 46 3.693 1.281 -2.799 1.00 35.01 C ATOM 3 C GLY A 46 3.009 2.617 -3.012 1.00 43.22 C ATOM 4 O GLY A 46 2.846 3.064 -4.147 1.00 42.44 O ATOM 0 HA2 GLY A 46 4.393 1.363 -1.967 1.00 35.01 H new ATOM 0 HA3 GLY A 46 4.278 1.030 -3.684 1.00 35.01 H new ATOM 8 N SER A 47 2.607 3.256 -1.918 1.00 61.21 N ATOM 9 CA SER A 47 1.932 4.546 -1.991 1.00 4.51 C ATOM 10 C SER A 47 2.911 5.649 -2.384 1.00 15.42 C ATOM 11 O SER A 47 3.821 5.984 -1.628 1.00 4.32 O ATOM 12 CB SER A 47 1.281 4.882 -0.648 1.00 31.42 C ATOM 13 OG SER A 47 0.034 4.223 -0.507 1.00 40.03 O ATOM 0 H SER A 47 2.737 2.901 -0.971 1.00 61.21 H new ATOM 0 HA SER A 47 1.158 4.481 -2.756 1.00 4.51 H new ATOM 0 HB2 SER A 47 1.945 4.589 0.165 1.00 31.42 H new ATOM 0 HB3 SER A 47 1.137 5.960 -0.569 1.00 31.42 H new ATOM 0 HG SER A 47 -0.361 4.452 0.360 1.00 40.03 H new ATOM 19 N ASN A 48 2.714 6.210 -3.573 1.00 30.03 N ATOM 20 CA ASN A 48 3.578 7.275 -4.068 1.00 5.11 C ATOM 21 C ASN A 48 2.888 8.065 -5.175 1.00 43.35 C ATOM 22 O ASN A 48 3.247 7.978 -6.350 1.00 53.31 O ATOM 23 CB ASN A 48 4.895 6.692 -4.586 1.00 51.41 C ATOM 24 CG ASN A 48 5.995 7.733 -4.668 1.00 23.35 C ATOM 25 OD1 ASN A 48 6.612 7.920 -5.717 1.00 33.43 O ATOM 26 ND2 ASN A 48 6.247 8.416 -3.557 1.00 30.32 N ATOM 0 H ASN A 48 1.964 5.945 -4.211 1.00 30.03 H new ATOM 0 HA ASN A 48 3.789 7.952 -3.240 1.00 5.11 H new ATOM 0 HB2 ASN A 48 5.213 5.882 -3.930 1.00 51.41 H new ATOM 0 HB3 ASN A 48 4.734 6.259 -5.573 1.00 51.41 H new ATOM 0 HD21 ASN A 48 6.977 9.129 -3.551 1.00 30.32 H new ATOM 0 HD22 ASN A 48 5.711 8.228 -2.710 1.00 30.32 H new ATOM 33 N PRO A 49 1.874 8.856 -4.794 1.00 60.13 N ATOM 34 CA PRO A 49 1.113 9.678 -5.740 1.00 12.14 C ATOM 35 C PRO A 49 1.936 10.836 -6.295 1.00 32.35 C ATOM 36 O PRO A 49 3.161 10.853 -6.172 1.00 53.54 O ATOM 37 CB PRO A 49 -0.050 10.205 -4.895 1.00 1.10 C ATOM 38 CG PRO A 49 0.459 10.184 -3.495 1.00 0.50 C ATOM 39 CD PRO A 49 1.393 9.009 -3.411 1.00 74.41 C ATOM 0 HA PRO A 49 0.799 9.108 -6.615 1.00 12.14 H new ATOM 0 HB2 PRO A 49 -0.334 11.213 -5.198 1.00 1.10 H new ATOM 0 HB3 PRO A 49 -0.935 9.578 -5.004 1.00 1.10 H new ATOM 0 HG2 PRO A 49 0.977 11.112 -3.254 1.00 0.50 H new ATOM 0 HG3 PRO A 49 -0.360 10.083 -2.783 1.00 0.50 H new ATOM 0 HD2 PRO A 49 2.214 9.197 -2.719 1.00 74.41 H new ATOM 0 HD3 PRO A 49 0.881 8.112 -3.062 1.00 74.41 H new ATOM 47 N ASP A 50 1.255 11.800 -6.904 1.00 4.43 N ATOM 48 CA ASP A 50 1.924 12.963 -7.476 1.00 51.12 C ATOM 49 C ASP A 50 1.119 14.233 -7.220 1.00 51.45 C ATOM 50 O ASP A 50 -0.058 14.190 -6.861 1.00 50.15 O ATOM 51 CB ASP A 50 2.132 12.770 -8.979 1.00 54.02 C ATOM 52 CG ASP A 50 1.160 11.769 -9.574 1.00 4.40 C ATOM 53 OD1 ASP A 50 -0.063 11.993 -9.463 1.00 51.05 O ATOM 54 OD2 ASP A 50 1.624 10.762 -10.149 1.00 54.23 O ATOM 0 H ASP A 50 0.241 11.800 -7.014 1.00 4.43 H new ATOM 0 HA ASP A 50 2.896 13.067 -6.993 1.00 51.12 H new ATOM 0 HB2 ASP A 50 2.017 13.729 -9.485 1.00 54.02 H new ATOM 0 HB3 ASP A 50 3.153 12.434 -9.161 1.00 54.02 H new ATOM 59 N PRO A 51 1.767 15.393 -7.408 1.00 73.21 N ATOM 60 CA PRO A 51 1.130 16.697 -7.203 1.00 4.42 C ATOM 61 C PRO A 51 0.077 17.002 -8.263 1.00 30.35 C ATOM 62 O PRO A 51 -0.646 17.993 -8.165 1.00 4.03 O ATOM 63 CB PRO A 51 2.297 17.682 -7.311 1.00 4.13 C ATOM 64 CG PRO A 51 3.307 16.983 -8.154 1.00 75.43 C ATOM 65 CD PRO A 51 3.170 15.519 -7.836 1.00 2.45 C ATOM 0 HA PRO A 51 0.599 16.746 -6.253 1.00 4.42 H new ATOM 0 HB2 PRO A 51 1.982 18.620 -7.767 1.00 4.13 H new ATOM 0 HB3 PRO A 51 2.702 17.925 -6.329 1.00 4.13 H new ATOM 0 HG2 PRO A 51 3.129 17.171 -9.213 1.00 75.43 H new ATOM 0 HG3 PRO A 51 4.313 17.338 -7.932 1.00 75.43 H new ATOM 0 HD2 PRO A 51 3.382 14.897 -8.706 1.00 2.45 H new ATOM 0 HD3 PRO A 51 3.859 15.212 -7.049 1.00 2.45 H new ATOM 73 N GLN A 52 -0.004 16.143 -9.273 1.00 73.44 N ATOM 74 CA GLN A 52 -0.970 16.321 -10.351 1.00 51.01 C ATOM 75 C GLN A 52 -2.348 15.816 -9.936 1.00 70.14 C ATOM 76 O GLN A 52 -3.362 16.457 -10.209 1.00 50.34 O ATOM 77 CB GLN A 52 -0.503 15.588 -11.610 1.00 4.12 C ATOM 78 CG GLN A 52 0.962 15.823 -11.942 1.00 21.21 C ATOM 79 CD GLN A 52 1.223 15.861 -13.435 1.00 2.33 C ATOM 80 OE1 GLN A 52 1.864 16.783 -13.941 1.00 22.31 O ATOM 81 NE2 GLN A 52 0.727 14.858 -14.149 1.00 33.22 N ATOM 0 H GLN A 52 0.587 15.317 -9.368 1.00 73.44 H new ATOM 0 HA GLN A 52 -1.043 17.387 -10.566 1.00 51.01 H new ATOM 0 HB2 GLN A 52 -0.671 14.519 -11.481 1.00 4.12 H new ATOM 0 HB3 GLN A 52 -1.114 15.907 -12.454 1.00 4.12 H new ATOM 0 HG2 GLN A 52 1.285 16.764 -11.496 1.00 21.21 H new ATOM 0 HG3 GLN A 52 1.564 15.034 -11.492 1.00 21.21 H new ATOM 0 HE21 GLN A 52 0.202 14.115 -13.688 1.00 33.22 H new ATOM 0 HE22 GLN A 52 0.871 14.830 -15.158 1.00 33.22 H new ATOM 90 N GLU A 53 -2.376 14.662 -9.276 1.00 51.41 N ATOM 91 CA GLU A 53 -3.631 14.071 -8.825 1.00 44.42 C ATOM 92 C GLU A 53 -3.979 14.544 -7.417 1.00 35.12 C ATOM 93 O GLU A 53 -5.143 14.801 -7.106 1.00 63.23 O ATOM 94 CB GLU A 53 -3.540 12.544 -8.855 1.00 54.30 C ATOM 95 CG GLU A 53 -4.883 11.852 -8.690 1.00 21.11 C ATOM 96 CD GLU A 53 -5.963 12.458 -9.564 1.00 54.40 C ATOM 97 OE1 GLU A 53 -5.897 12.280 -10.798 1.00 63.13 O ATOM 98 OE2 GLU A 53 -6.875 13.111 -9.014 1.00 40.25 O ATOM 0 H GLU A 53 -1.545 14.118 -9.042 1.00 51.41 H new ATOM 0 HA GLU A 53 -4.421 14.394 -9.503 1.00 44.42 H new ATOM 0 HB2 GLU A 53 -3.094 12.233 -9.800 1.00 54.30 H new ATOM 0 HB3 GLU A 53 -2.870 12.212 -8.062 1.00 54.30 H new ATOM 0 HG2 GLU A 53 -4.775 10.795 -8.933 1.00 21.11 H new ATOM 0 HG3 GLU A 53 -5.191 11.909 -7.646 1.00 21.11 H new ATOM 105 N VAL A 54 -2.963 14.656 -6.568 1.00 22.54 N ATOM 106 CA VAL A 54 -3.160 15.097 -5.192 1.00 55.23 C ATOM 107 C VAL A 54 -3.731 16.510 -5.145 1.00 53.15 C ATOM 108 O VAL A 54 -4.791 16.742 -4.565 1.00 54.22 O ATOM 109 CB VAL A 54 -1.842 15.061 -4.396 1.00 54.33 C ATOM 110 CG1 VAL A 54 -2.038 15.660 -3.012 1.00 20.13 C ATOM 111 CG2 VAL A 54 -1.317 13.637 -4.301 1.00 23.00 C ATOM 0 H VAL A 54 -1.994 14.447 -6.809 1.00 22.54 H new ATOM 0 HA VAL A 54 -3.869 14.406 -4.737 1.00 55.23 H new ATOM 0 HB VAL A 54 -1.102 15.662 -4.924 1.00 54.33 H new ATOM 0 HG11 VAL A 54 -1.096 15.626 -2.464 1.00 20.13 H new ATOM 0 HG12 VAL A 54 -2.366 16.695 -3.107 1.00 20.13 H new ATOM 0 HG13 VAL A 54 -2.793 15.089 -2.472 1.00 20.13 H new ATOM 0 HG21 VAL A 54 -0.385 13.630 -3.735 1.00 23.00 H new ATOM 0 HG22 VAL A 54 -2.053 13.011 -3.796 1.00 23.00 H new ATOM 0 HG23 VAL A 54 -1.136 13.248 -5.303 1.00 23.00 H new ATOM 121 N GLN A 55 -3.021 17.450 -5.761 1.00 11.01 N ATOM 122 CA GLN A 55 -3.458 18.841 -5.789 1.00 23.00 C ATOM 123 C GLN A 55 -4.901 18.949 -6.271 1.00 45.02 C ATOM 124 O GLN A 55 -5.732 19.595 -5.633 1.00 21.54 O ATOM 125 CB GLN A 55 -2.542 19.667 -6.694 1.00 62.20 C ATOM 126 CG GLN A 55 -2.985 21.112 -6.852 1.00 2.45 C ATOM 127 CD GLN A 55 -1.865 22.017 -7.327 1.00 54.32 C ATOM 128 OE1 GLN A 55 -0.733 21.972 -6.635 1.00 3.21 O flip ATOM 129 NE2 GLN A 55 -2.017 22.749 -8.306 1.00 41.34 N flip ATOM 0 H GLN A 55 -2.142 17.274 -6.247 1.00 11.01 H new ATOM 0 HA GLN A 55 -3.403 19.233 -4.773 1.00 23.00 H new ATOM 0 HB2 GLN A 55 -1.531 19.648 -6.288 1.00 62.20 H new ATOM 0 HB3 GLN A 55 -2.499 19.199 -7.678 1.00 62.20 H new ATOM 0 HG2 GLN A 55 -3.811 21.159 -7.562 1.00 2.45 H new ATOM 0 HG3 GLN A 55 -3.363 21.479 -5.898 1.00 2.45 H new ATOM 0 HE21 GLN A 55 -2.905 22.751 -8.808 1.00 41.34 H new ATOM 0 HE22 GLN A 55 -1.255 23.353 -8.614 1.00 41.34 H new ATOM 138 N ARG A 56 -5.191 18.313 -7.402 1.00 4.43 N ATOM 139 CA ARG A 56 -6.533 18.340 -7.970 1.00 62.32 C ATOM 140 C ARG A 56 -7.551 17.767 -6.988 1.00 4.21 C ATOM 141 O ARG A 56 -8.738 18.083 -7.055 1.00 72.52 O ATOM 142 CB ARG A 56 -6.571 17.549 -9.279 1.00 62.12 C ATOM 143 CG ARG A 56 -5.806 18.211 -10.413 1.00 43.33 C ATOM 144 CD ARG A 56 -6.526 19.450 -10.922 1.00 70.05 C ATOM 145 NE ARG A 56 -5.664 20.279 -11.761 1.00 22.25 N ATOM 146 CZ ARG A 56 -6.111 21.279 -12.512 1.00 62.54 C ATOM 147 NH1 ARG A 56 -7.404 21.572 -12.530 1.00 44.24 N ATOM 148 NH2 ARG A 56 -5.264 21.987 -13.248 1.00 2.20 N ATOM 0 H ARG A 56 -4.515 17.773 -7.942 1.00 4.43 H new ATOM 0 HA ARG A 56 -6.794 19.379 -8.172 1.00 62.32 H new ATOM 0 HB2 ARG A 56 -6.158 16.555 -9.105 1.00 62.12 H new ATOM 0 HB3 ARG A 56 -7.609 17.414 -9.582 1.00 62.12 H new ATOM 0 HG2 ARG A 56 -4.808 18.484 -10.070 1.00 43.33 H new ATOM 0 HG3 ARG A 56 -5.679 17.501 -11.230 1.00 43.33 H new ATOM 0 HD2 ARG A 56 -7.406 19.150 -11.491 1.00 70.05 H new ATOM 0 HD3 ARG A 56 -6.880 20.037 -10.075 1.00 70.05 H new ATOM 0 HE ARG A 56 -4.664 20.079 -11.771 1.00 22.25 H new ATOM 0 HH11 ARG A 56 -8.058 21.029 -11.966 1.00 44.24 H new ATOM 0 HH12 ARG A 56 -7.745 22.341 -13.108 1.00 44.24 H new ATOM 0 HH21 ARG A 56 -4.269 21.763 -13.237 1.00 2.20 H new ATOM 0 HH22 ARG A 56 -5.608 22.755 -13.825 1.00 2.20 H new ATOM 162 N ALA A 57 -7.076 16.924 -6.077 1.00 33.12 N ATOM 163 CA ALA A 57 -7.944 16.309 -5.080 1.00 71.32 C ATOM 164 C ALA A 57 -8.083 17.198 -3.850 1.00 14.35 C ATOM 165 O ALA A 57 -9.115 17.188 -3.177 1.00 13.00 O ATOM 166 CB ALA A 57 -7.408 14.940 -4.687 1.00 14.14 C ATOM 0 H ALA A 57 -6.095 16.651 -6.009 1.00 33.12 H new ATOM 0 HA ALA A 57 -8.933 16.187 -5.521 1.00 71.32 H new ATOM 0 HB1 ALA A 57 -8.066 14.492 -3.942 1.00 14.14 H new ATOM 0 HB2 ALA A 57 -7.367 14.299 -5.567 1.00 14.14 H new ATOM 0 HB3 ALA A 57 -6.407 15.047 -4.270 1.00 14.14 H new ATOM 172 N LEU A 58 -7.039 17.966 -3.559 1.00 52.54 N ATOM 173 CA LEU A 58 -7.045 18.862 -2.408 1.00 41.52 C ATOM 174 C LEU A 58 -8.274 19.766 -2.427 1.00 44.14 C ATOM 175 O LEU A 58 -8.888 20.017 -1.391 1.00 72.32 O ATOM 176 CB LEU A 58 -5.773 19.712 -2.392 1.00 50.21 C ATOM 177 CG LEU A 58 -4.709 19.309 -1.371 1.00 31.24 C ATOM 178 CD1 LEU A 58 -3.362 19.912 -1.737 1.00 22.52 C ATOM 179 CD2 LEU A 58 -5.124 19.737 0.029 1.00 14.23 C ATOM 0 H LEU A 58 -6.177 17.986 -4.104 1.00 52.54 H new ATOM 0 HA LEU A 58 -7.079 18.253 -1.505 1.00 41.52 H new ATOM 0 HB2 LEU A 58 -5.326 19.679 -3.385 1.00 50.21 H new ATOM 0 HB3 LEU A 58 -6.055 20.748 -2.204 1.00 50.21 H new ATOM 0 HG LEU A 58 -4.613 18.223 -1.384 1.00 31.24 H new ATOM 0 HD11 LEU A 58 -2.617 19.614 -0.999 1.00 22.52 H new ATOM 0 HD12 LEU A 58 -3.059 19.556 -2.722 1.00 22.52 H new ATOM 0 HD13 LEU A 58 -3.442 20.999 -1.753 1.00 22.52 H new ATOM 0 HD21 LEU A 58 -4.355 19.442 0.743 1.00 14.23 H new ATOM 0 HD22 LEU A 58 -5.249 20.820 0.057 1.00 14.23 H new ATOM 0 HD23 LEU A 58 -6.066 19.257 0.292 1.00 14.23 H new ATOM 191 N ALA A 59 -8.627 20.251 -3.613 1.00 61.45 N ATOM 192 CA ALA A 59 -9.785 21.123 -3.768 1.00 64.54 C ATOM 193 C ALA A 59 -11.071 20.312 -3.883 1.00 31.21 C ATOM 194 O ALA A 59 -12.169 20.848 -3.731 1.00 70.44 O ATOM 195 CB ALA A 59 -9.612 22.017 -4.987 1.00 11.31 C ATOM 0 H ALA A 59 -8.128 20.055 -4.480 1.00 61.45 H new ATOM 0 HA ALA A 59 -9.860 21.749 -2.879 1.00 64.54 H new ATOM 0 HB1 ALA A 59 -10.484 22.663 -5.091 1.00 11.31 H new ATOM 0 HB2 ALA A 59 -8.719 22.630 -4.865 1.00 11.31 H new ATOM 0 HB3 ALA A 59 -9.509 21.400 -5.879 1.00 11.31 H new ATOM 201 N ARG A 60 -10.928 19.018 -4.152 1.00 2.22 N ATOM 202 CA ARG A 60 -12.079 18.134 -4.289 1.00 11.34 C ATOM 203 C ARG A 60 -12.666 17.791 -2.923 1.00 32.13 C ATOM 204 O ARG A 60 -13.708 17.141 -2.830 1.00 21.14 O ATOM 205 CB ARG A 60 -11.680 16.852 -5.021 1.00 72.11 C ATOM 206 CG ARG A 60 -11.442 17.049 -6.509 1.00 54.53 C ATOM 207 CD ARG A 60 -12.531 16.388 -7.340 1.00 62.11 C ATOM 208 NE ARG A 60 -12.342 14.943 -7.438 1.00 74.10 N ATOM 209 CZ ARG A 60 -13.280 14.107 -7.870 1.00 13.23 C ATOM 210 NH1 ARG A 60 -14.466 14.570 -8.242 1.00 4.54 N ATOM 211 NH2 ARG A 60 -13.033 12.805 -7.930 1.00 73.13 N ATOM 0 H ARG A 60 -10.026 18.559 -4.279 1.00 2.22 H new ATOM 0 HA ARG A 60 -12.839 18.655 -4.872 1.00 11.34 H new ATOM 0 HB2 ARG A 60 -10.774 16.451 -4.567 1.00 72.11 H new ATOM 0 HB3 ARG A 60 -12.463 16.106 -4.883 1.00 72.11 H new ATOM 0 HG2 ARG A 60 -11.407 18.115 -6.735 1.00 54.53 H new ATOM 0 HG3 ARG A 60 -10.472 16.633 -6.782 1.00 54.53 H new ATOM 0 HD2 ARG A 60 -13.504 16.597 -6.895 1.00 62.11 H new ATOM 0 HD3 ARG A 60 -12.538 16.822 -8.340 1.00 62.11 H new ATOM 0 HE ARG A 60 -11.441 14.555 -7.160 1.00 74.10 H new ATOM 0 HH11 ARG A 60 -14.660 15.570 -8.197 1.00 4.54 H new ATOM 0 HH12 ARG A 60 -15.184 13.926 -8.573 1.00 4.54 H new ATOM 0 HH21 ARG A 60 -12.122 12.445 -7.644 1.00 73.13 H new ATOM 0 HH22 ARG A 60 -13.754 12.164 -8.262 1.00 73.13 H new ATOM 225 N ILE A 61 -11.991 18.231 -1.867 1.00 2.24 N ATOM 226 CA ILE A 61 -12.446 17.971 -0.507 1.00 22.15 C ATOM 227 C ILE A 61 -13.817 18.589 -0.258 1.00 13.42 C ATOM 228 O ILE A 61 -14.543 18.175 0.647 1.00 60.41 O ATOM 229 CB ILE A 61 -11.452 18.519 0.534 1.00 23.34 C ATOM 230 CG1 ILE A 61 -10.078 17.871 0.350 1.00 61.11 C ATOM 231 CG2 ILE A 61 -11.973 18.277 1.943 1.00 23.41 C ATOM 232 CD1 ILE A 61 -8.973 18.569 1.112 1.00 14.10 C ATOM 0 H ILE A 61 -11.127 18.769 -1.927 1.00 2.24 H new ATOM 0 HA ILE A 61 -12.513 16.888 -0.399 1.00 22.15 H new ATOM 0 HB ILE A 61 -11.349 19.594 0.385 1.00 23.34 H new ATOM 0 HG12 ILE A 61 -10.130 16.831 0.673 1.00 61.11 H new ATOM 0 HG13 ILE A 61 -9.828 17.864 -0.711 1.00 61.11 H new ATOM 0 HG21 ILE A 61 -11.259 18.670 2.667 1.00 23.41 H new ATOM 0 HG22 ILE A 61 -12.931 18.781 2.068 1.00 23.41 H new ATOM 0 HG23 ILE A 61 -12.102 17.207 2.104 1.00 23.41 H new ATOM 0 HD11 ILE A 61 -8.028 18.055 0.935 1.00 14.10 H new ATOM 0 HD12 ILE A 61 -8.894 19.602 0.773 1.00 14.10 H new ATOM 0 HD13 ILE A 61 -9.200 18.553 2.178 1.00 14.10 H new ATOM 244 N LEU A 62 -14.168 19.583 -1.067 1.00 64.23 N ATOM 245 CA LEU A 62 -15.454 20.258 -0.937 1.00 41.41 C ATOM 246 C LEU A 62 -16.481 19.662 -1.894 1.00 14.41 C ATOM 247 O LEU A 62 -17.688 19.814 -1.700 1.00 21.04 O ATOM 248 CB LEU A 62 -15.296 21.756 -1.209 1.00 23.54 C ATOM 249 CG LEU A 62 -14.693 22.584 -0.073 1.00 33.50 C ATOM 250 CD1 LEU A 62 -14.582 24.045 -0.479 1.00 14.03 C ATOM 251 CD2 LEU A 62 -15.528 22.441 1.192 1.00 44.13 C ATOM 0 H LEU A 62 -13.579 19.939 -1.820 1.00 64.23 H new ATOM 0 HA LEU A 62 -15.810 20.115 0.083 1.00 41.41 H new ATOM 0 HB2 LEU A 62 -14.672 21.881 -2.094 1.00 23.54 H new ATOM 0 HB3 LEU A 62 -16.276 22.167 -1.450 1.00 23.54 H new ATOM 0 HG LEU A 62 -13.691 22.209 0.133 1.00 33.50 H new ATOM 0 HD11 LEU A 62 -14.151 24.619 0.341 1.00 14.03 H new ATOM 0 HD12 LEU A 62 -13.942 24.131 -1.357 1.00 14.03 H new ATOM 0 HD13 LEU A 62 -15.573 24.434 -0.713 1.00 14.03 H new ATOM 0 HD21 LEU A 62 -15.085 23.037 1.990 1.00 44.13 H new ATOM 0 HD22 LEU A 62 -16.543 22.790 1.000 1.00 44.13 H new ATOM 0 HD23 LEU A 62 -15.556 21.394 1.493 1.00 44.13 H new ATOM 263 N CYS A 63 -15.996 18.982 -2.927 1.00 4.02 N ATOM 264 CA CYS A 63 -16.871 18.361 -3.914 1.00 24.24 C ATOM 265 C CYS A 63 -17.201 16.924 -3.520 1.00 20.02 C ATOM 266 O CYS A 63 -18.256 16.399 -3.876 1.00 25.14 O ATOM 267 CB CYS A 63 -16.214 18.384 -5.295 1.00 44.32 C ATOM 268 SG CYS A 63 -16.529 19.908 -6.242 1.00 45.14 S ATOM 0 H CYS A 63 -15.000 18.847 -3.103 1.00 4.02 H new ATOM 0 HA CYS A 63 -17.799 18.932 -3.951 1.00 24.24 H new ATOM 0 HB2 CYS A 63 -15.138 18.259 -5.176 1.00 44.32 H new ATOM 0 HB3 CYS A 63 -16.572 17.531 -5.871 1.00 44.32 H new ATOM 273 N ALA A 64 -16.292 16.294 -2.783 1.00 3.41 N ATOM 274 CA ALA A 64 -16.487 14.920 -2.339 1.00 20.14 C ATOM 275 C ALA A 64 -17.165 14.875 -0.974 1.00 13.34 C ATOM 276 O ALA A 64 -18.139 14.147 -0.776 1.00 64.41 O ATOM 277 CB ALA A 64 -15.155 14.186 -2.292 1.00 70.15 C ATOM 0 H ALA A 64 -15.413 16.714 -2.481 1.00 3.41 H new ATOM 0 HA ALA A 64 -17.139 14.422 -3.057 1.00 20.14 H new ATOM 0 HB1 ALA A 64 -15.316 13.161 -1.959 1.00 70.15 H new ATOM 0 HB2 ALA A 64 -14.709 14.178 -3.286 1.00 70.15 H new ATOM 0 HB3 ALA A 64 -14.485 14.692 -1.597 1.00 70.15 H new ATOM 283 N LEU A 65 -16.646 15.658 -0.034 1.00 63.23 N ATOM 284 CA LEU A 65 -17.201 15.707 1.314 1.00 52.22 C ATOM 285 C LEU A 65 -17.159 14.331 1.971 1.00 55.23 C ATOM 286 O LEU A 65 -17.873 14.073 2.939 1.00 24.42 O ATOM 287 CB LEU A 65 -18.641 16.223 1.275 1.00 62.12 C ATOM 288 CG LEU A 65 -18.822 17.674 0.827 1.00 31.31 C ATOM 289 CD1 LEU A 65 -19.347 17.731 -0.599 1.00 33.31 C ATOM 290 CD2 LEU A 65 -19.760 18.410 1.773 1.00 42.44 C ATOM 0 H LEU A 65 -15.842 16.268 -0.181 1.00 63.23 H new ATOM 0 HA LEU A 65 -16.592 16.390 1.906 1.00 52.22 H new ATOM 0 HB2 LEU A 65 -19.217 15.583 0.607 1.00 62.12 H new ATOM 0 HB3 LEU A 65 -19.072 16.115 2.270 1.00 62.12 H new ATOM 0 HG LEU A 65 -17.850 18.167 0.854 1.00 31.31 H new ATOM 0 HD11 LEU A 65 -19.469 18.771 -0.900 1.00 33.31 H new ATOM 0 HD12 LEU A 65 -18.639 17.241 -1.267 1.00 33.31 H new ATOM 0 HD13 LEU A 65 -20.309 17.222 -0.653 1.00 33.31 H new ATOM 0 HD21 LEU A 65 -19.878 19.441 1.440 1.00 42.44 H new ATOM 0 HD22 LEU A 65 -20.732 17.917 1.778 1.00 42.44 H new ATOM 0 HD23 LEU A 65 -19.343 18.400 2.780 1.00 42.44 H new ATOM 302 N GLY A 66 -16.317 13.452 1.438 1.00 62.45 N ATOM 303 CA GLY A 66 -16.196 12.114 1.986 1.00 20.51 C ATOM 304 C GLY A 66 -15.225 11.252 1.203 1.00 34.54 C ATOM 305 O GLY A 66 -14.445 10.500 1.786 1.00 21.51 O ATOM 0 H GLY A 66 -15.716 13.642 0.636 1.00 62.45 H new ATOM 0 HA2 GLY A 66 -15.866 12.178 3.023 1.00 20.51 H new ATOM 0 HA3 GLY A 66 -17.176 11.637 1.993 1.00 20.51 H new ATOM 309 N GLU A 67 -15.275 11.360 -0.121 1.00 31.33 N ATOM 310 CA GLU A 67 -14.394 10.581 -0.984 1.00 14.24 C ATOM 311 C GLU A 67 -12.966 11.116 -0.928 1.00 32.11 C ATOM 312 O GLU A 67 -12.008 10.390 -1.197 1.00 33.31 O ATOM 313 CB GLU A 67 -14.904 10.607 -2.426 1.00 72.41 C ATOM 314 CG GLU A 67 -16.112 9.715 -2.661 1.00 23.43 C ATOM 315 CD GLU A 67 -17.423 10.419 -2.371 1.00 43.42 C ATOM 316 OE1 GLU A 67 -17.908 11.158 -3.254 1.00 23.33 O ATOM 317 OE2 GLU A 67 -17.964 10.232 -1.261 1.00 62.02 O ATOM 0 H GLU A 67 -15.915 11.978 -0.619 1.00 31.33 H new ATOM 0 HA GLU A 67 -14.392 9.552 -0.625 1.00 14.24 H new ATOM 0 HB2 GLU A 67 -15.162 11.632 -2.693 1.00 72.41 H new ATOM 0 HB3 GLU A 67 -14.099 10.297 -3.093 1.00 72.41 H new ATOM 0 HG2 GLU A 67 -16.110 9.372 -3.696 1.00 23.43 H new ATOM 0 HG3 GLU A 67 -16.033 8.829 -2.031 1.00 23.43 H new ATOM 324 N LEU A 68 -12.831 12.390 -0.578 1.00 13.14 N ATOM 325 CA LEU A 68 -11.521 13.024 -0.487 1.00 25.14 C ATOM 326 C LEU A 68 -10.933 12.861 0.911 1.00 2.15 C ATOM 327 O LEU A 68 -9.715 12.893 1.092 1.00 53.25 O ATOM 328 CB LEU A 68 -11.625 14.509 -0.839 1.00 23.13 C ATOM 329 CG LEU A 68 -10.472 15.086 -1.661 1.00 51.12 C ATOM 330 CD1 LEU A 68 -9.171 15.019 -0.877 1.00 63.42 C ATOM 331 CD2 LEU A 68 -10.339 14.347 -2.985 1.00 23.14 C ATOM 0 H LEU A 68 -13.613 13.005 -0.352 1.00 13.14 H new ATOM 0 HA LEU A 68 -10.858 12.534 -1.200 1.00 25.14 H new ATOM 0 HB2 LEU A 68 -12.552 14.667 -1.390 1.00 23.13 H new ATOM 0 HB3 LEU A 68 -11.704 15.077 0.088 1.00 23.13 H new ATOM 0 HG LEU A 68 -10.690 16.133 -1.873 1.00 51.12 H new ATOM 0 HD11 LEU A 68 -8.362 15.434 -1.478 1.00 63.42 H new ATOM 0 HD12 LEU A 68 -9.271 15.594 0.044 1.00 63.42 H new ATOM 0 HD13 LEU A 68 -8.946 13.981 -0.633 1.00 63.42 H new ATOM 0 HD21 LEU A 68 -9.514 14.771 -3.557 1.00 23.14 H new ATOM 0 HD22 LEU A 68 -10.144 13.292 -2.795 1.00 23.14 H new ATOM 0 HD23 LEU A 68 -11.264 14.449 -3.553 1.00 23.14 H new ATOM 343 N ASP A 69 -11.805 12.684 1.897 1.00 14.54 N ATOM 344 CA ASP A 69 -11.373 12.513 3.280 1.00 71.05 C ATOM 345 C ASP A 69 -10.469 11.292 3.419 1.00 51.14 C ATOM 346 O ASP A 69 -9.722 11.166 4.389 1.00 12.23 O ATOM 347 CB ASP A 69 -12.585 12.373 4.202 1.00 51.31 C ATOM 348 CG ASP A 69 -13.363 13.668 4.335 1.00 34.52 C ATOM 349 OD1 ASP A 69 -13.127 14.588 3.525 1.00 23.32 O ATOM 350 OD2 ASP A 69 -14.209 13.760 5.250 1.00 4.52 O ATOM 0 H ASP A 69 -12.816 12.655 1.765 1.00 14.54 H new ATOM 0 HA ASP A 69 -10.806 13.398 3.570 1.00 71.05 H new ATOM 0 HB2 ASP A 69 -13.243 11.595 3.816 1.00 51.31 H new ATOM 0 HB3 ASP A 69 -12.252 12.049 5.188 1.00 51.31 H new ATOM 355 N LYS A 70 -10.543 10.394 2.442 1.00 24.45 N ATOM 356 CA LYS A 70 -9.732 9.182 2.455 1.00 45.05 C ATOM 357 C LYS A 70 -8.360 9.439 1.839 1.00 3.52 C ATOM 358 O LYS A 70 -7.559 8.518 1.674 1.00 32.11 O ATOM 359 CB LYS A 70 -10.442 8.061 1.693 1.00 64.34 C ATOM 360 CG LYS A 70 -11.136 7.056 2.596 1.00 1.42 C ATOM 361 CD LYS A 70 -12.533 7.519 2.974 1.00 11.12 C ATOM 362 CE LYS A 70 -13.128 6.654 4.075 1.00 3.31 C ATOM 363 NZ LYS A 70 -13.303 5.242 3.637 1.00 23.33 N ATOM 0 H LYS A 70 -11.156 10.483 1.632 1.00 24.45 H new ATOM 0 HA LYS A 70 -9.594 8.878 3.493 1.00 45.05 H new ATOM 0 HB2 LYS A 70 -11.178 8.500 1.020 1.00 64.34 H new ATOM 0 HB3 LYS A 70 -9.715 7.538 1.073 1.00 64.34 H new ATOM 0 HG2 LYS A 70 -11.195 6.092 2.091 1.00 1.42 H new ATOM 0 HG3 LYS A 70 -10.544 6.907 3.499 1.00 1.42 H new ATOM 0 HD2 LYS A 70 -12.496 8.557 3.305 1.00 11.12 H new ATOM 0 HD3 LYS A 70 -13.178 7.487 2.096 1.00 11.12 H new ATOM 0 HE2 LYS A 70 -12.480 6.685 4.951 1.00 3.31 H new ATOM 0 HE3 LYS A 70 -14.092 7.063 4.377 1.00 3.31 H new ATOM 0 HZ1 LYS A 70 -13.742 4.693 4.403 1.00 23.33 H new ATOM 0 HZ2 LYS A 70 -13.914 5.213 2.796 1.00 23.33 H new ATOM 0 HZ3 LYS A 70 -12.375 4.833 3.405 1.00 23.33 H new ATOM 377 N LEU A 71 -8.094 10.697 1.503 1.00 22.21 N ATOM 378 CA LEU A 71 -6.817 11.076 0.907 1.00 33.13 C ATOM 379 C LEU A 71 -6.137 12.168 1.727 1.00 61.14 C ATOM 380 O LEU A 71 -4.953 12.069 2.051 1.00 15.01 O ATOM 381 CB LEU A 71 -7.025 11.556 -0.530 1.00 74.22 C ATOM 382 CG LEU A 71 -5.867 12.337 -1.151 1.00 51.32 C ATOM 383 CD1 LEU A 71 -5.706 11.975 -2.619 1.00 44.55 C ATOM 384 CD2 LEU A 71 -6.087 13.834 -0.990 1.00 42.50 C ATOM 0 H LEU A 71 -8.745 11.471 1.633 1.00 22.21 H new ATOM 0 HA LEU A 71 -6.172 10.197 0.900 1.00 33.13 H new ATOM 0 HB2 LEU A 71 -7.228 10.687 -1.156 1.00 74.22 H new ATOM 0 HB3 LEU A 71 -7.916 12.184 -0.557 1.00 74.22 H new ATOM 0 HG LEU A 71 -4.949 12.066 -0.629 1.00 51.32 H new ATOM 0 HD11 LEU A 71 -4.877 12.541 -3.044 1.00 44.55 H new ATOM 0 HD12 LEU A 71 -5.502 10.908 -2.710 1.00 44.55 H new ATOM 0 HD13 LEU A 71 -6.623 12.216 -3.156 1.00 44.55 H new ATOM 0 HD21 LEU A 71 -5.253 14.375 -1.438 1.00 42.50 H new ATOM 0 HD22 LEU A 71 -7.014 14.121 -1.487 1.00 42.50 H new ATOM 0 HD23 LEU A 71 -6.152 14.080 0.070 1.00 42.50 H new ATOM 396 N VAL A 72 -6.894 13.209 2.060 1.00 64.21 N ATOM 397 CA VAL A 72 -6.365 14.318 2.844 1.00 1.25 C ATOM 398 C VAL A 72 -5.608 13.814 4.068 1.00 13.33 C ATOM 399 O VAL A 72 -4.691 14.472 4.560 1.00 41.35 O ATOM 400 CB VAL A 72 -7.488 15.266 3.304 1.00 54.44 C ATOM 401 CG1 VAL A 72 -8.388 14.577 4.318 1.00 72.12 C ATOM 402 CG2 VAL A 72 -6.902 16.546 3.882 1.00 73.35 C ATOM 0 H VAL A 72 -7.875 13.307 1.799 1.00 64.21 H new ATOM 0 HA VAL A 72 -5.680 14.865 2.196 1.00 1.25 H new ATOM 0 HB VAL A 72 -8.094 15.530 2.437 1.00 54.44 H new ATOM 0 HG11 VAL A 72 -9.175 15.263 4.631 1.00 72.12 H new ATOM 0 HG12 VAL A 72 -8.836 13.693 3.865 1.00 72.12 H new ATOM 0 HG13 VAL A 72 -7.799 14.281 5.186 1.00 72.12 H new ATOM 0 HG21 VAL A 72 -7.710 17.204 4.202 1.00 73.35 H new ATOM 0 HG22 VAL A 72 -6.271 16.304 4.737 1.00 73.35 H new ATOM 0 HG23 VAL A 72 -6.304 17.048 3.121 1.00 73.35 H new ATOM 412 N LYS A 73 -5.998 12.642 4.557 1.00 73.11 N ATOM 413 CA LYS A 73 -5.357 12.047 5.723 1.00 24.31 C ATOM 414 C LYS A 73 -4.505 10.847 5.322 1.00 65.20 C ATOM 415 O LYS A 73 -3.491 10.553 5.957 1.00 75.11 O ATOM 416 CB LYS A 73 -6.410 11.618 6.747 1.00 2.23 C ATOM 417 CG LYS A 73 -7.485 12.664 6.988 1.00 73.55 C ATOM 418 CD LYS A 73 -8.318 12.335 8.215 1.00 74.51 C ATOM 419 CE LYS A 73 -9.671 11.753 7.831 1.00 3.42 C ATOM 420 NZ LYS A 73 -10.439 11.302 9.024 1.00 30.22 N ATOM 0 H LYS A 73 -6.756 12.085 4.163 1.00 73.11 H new ATOM 0 HA LYS A 73 -4.708 12.798 6.172 1.00 24.31 H new ATOM 0 HB2 LYS A 73 -6.882 10.696 6.406 1.00 2.23 H new ATOM 0 HB3 LYS A 73 -5.915 11.393 7.692 1.00 2.23 H new ATOM 0 HG2 LYS A 73 -7.021 13.642 7.114 1.00 73.55 H new ATOM 0 HG3 LYS A 73 -8.133 12.729 6.114 1.00 73.55 H new ATOM 0 HD2 LYS A 73 -7.780 11.624 8.842 1.00 74.51 H new ATOM 0 HD3 LYS A 73 -8.464 13.237 8.809 1.00 74.51 H new ATOM 0 HE2 LYS A 73 -10.248 12.502 7.289 1.00 3.42 H new ATOM 0 HE3 LYS A 73 -9.525 10.912 7.153 1.00 3.42 H new ATOM 0 HZ1 LYS A 73 -11.354 10.912 8.721 1.00 30.22 H new ATOM 0 HZ2 LYS A 73 -9.900 10.569 9.527 1.00 30.22 H new ATOM 0 HZ3 LYS A 73 -10.600 12.110 9.659 1.00 30.22 H new ATOM 434 N ASP A 74 -4.921 10.159 4.265 1.00 63.53 N ATOM 435 CA ASP A 74 -4.194 8.992 3.777 1.00 21.14 C ATOM 436 C ASP A 74 -3.180 9.390 2.709 1.00 10.35 C ATOM 437 O ASP A 74 -2.807 8.580 1.862 1.00 24.54 O ATOM 438 CB ASP A 74 -5.168 7.957 3.213 1.00 71.14 C ATOM 439 CG ASP A 74 -4.895 6.560 3.734 1.00 61.30 C ATOM 440 OD1 ASP A 74 -4.085 5.842 3.111 1.00 51.23 O ATOM 441 OD2 ASP A 74 -5.492 6.183 4.765 1.00 45.52 O ATOM 0 H ASP A 74 -5.758 10.389 3.729 1.00 63.53 H new ATOM 0 HA ASP A 74 -3.656 8.553 4.617 1.00 21.14 H new ATOM 0 HB2 ASP A 74 -6.188 8.244 3.470 1.00 71.14 H new ATOM 0 HB3 ASP A 74 -5.102 7.955 2.125 1.00 71.14 H new ATOM 446 N GLN A 75 -2.740 10.644 2.757 1.00 73.35 N ATOM 447 CA GLN A 75 -1.771 11.149 1.792 1.00 52.44 C ATOM 448 C GLN A 75 -0.758 12.067 2.468 1.00 51.55 C ATOM 449 O GLN A 75 0.432 11.760 2.524 1.00 31.54 O ATOM 450 CB GLN A 75 -2.485 11.899 0.665 1.00 2.24 C ATOM 451 CG GLN A 75 -1.703 11.928 -0.638 1.00 25.32 C ATOM 452 CD GLN A 75 -2.342 11.082 -1.721 1.00 73.11 C ATOM 453 OE1 GLN A 75 -2.771 11.596 -2.754 1.00 53.42 O ATOM 454 NE2 GLN A 75 -2.410 9.776 -1.491 1.00 25.15 N ATOM 0 H GLN A 75 -3.039 11.327 3.453 1.00 73.35 H new ATOM 0 HA GLN A 75 -1.237 10.297 1.371 1.00 52.44 H new ATOM 0 HB2 GLN A 75 -3.454 11.433 0.487 1.00 2.24 H new ATOM 0 HB3 GLN A 75 -2.678 12.923 0.986 1.00 2.24 H new ATOM 0 HG2 GLN A 75 -1.623 12.958 -0.986 1.00 25.32 H new ATOM 0 HG3 GLN A 75 -0.688 11.573 -0.456 1.00 25.32 H new ATOM 0 HE21 GLN A 75 -2.042 9.392 -0.621 1.00 25.15 H new ATOM 0 HE22 GLN A 75 -2.830 9.157 -2.184 1.00 25.15 H new ATOM 463 N ALA A 76 -1.239 13.196 2.978 1.00 3.42 N ATOM 464 CA ALA A 76 -0.375 14.159 3.652 1.00 73.53 C ATOM 465 C ALA A 76 0.397 13.500 4.790 1.00 44.23 C ATOM 466 O ALA A 76 1.473 13.961 5.170 1.00 32.20 O ATOM 467 CB ALA A 76 -1.196 15.328 4.175 1.00 22.14 C ATOM 0 H ALA A 76 -2.222 13.467 2.938 1.00 3.42 H new ATOM 0 HA ALA A 76 0.348 14.533 2.927 1.00 73.53 H new ATOM 0 HB1 ALA A 76 -0.539 16.039 4.676 1.00 22.14 H new ATOM 0 HB2 ALA A 76 -1.698 15.822 3.343 1.00 22.14 H new ATOM 0 HB3 ALA A 76 -1.941 14.962 4.882 1.00 22.14 H new ATOM 473 N ASN A 77 -0.159 12.421 5.330 1.00 61.44 N ATOM 474 CA ASN A 77 0.478 11.700 6.426 1.00 61.33 C ATOM 475 C ASN A 77 1.183 10.447 5.916 1.00 63.44 C ATOM 476 O ASN A 77 2.107 9.939 6.552 1.00 54.35 O ATOM 477 CB ASN A 77 -0.559 11.320 7.485 1.00 61.55 C ATOM 478 CG ASN A 77 -1.524 12.451 7.781 1.00 2.33 C ATOM 479 OD1 ASN A 77 -1.186 13.625 7.630 1.00 52.43 O ATOM 480 ND2 ASN A 77 -2.732 12.102 8.207 1.00 32.00 N ATOM 0 H ASN A 77 -1.049 12.026 5.027 1.00 61.44 H new ATOM 0 HA ASN A 77 1.223 12.357 6.875 1.00 61.33 H new ATOM 0 HB2 ASN A 77 -1.118 10.448 7.145 1.00 61.55 H new ATOM 0 HB3 ASN A 77 -0.048 11.033 8.404 1.00 61.55 H new ATOM 0 HD21 ASN A 77 -3.423 12.820 8.424 1.00 32.00 H new ATOM 0 HD22 ASN A 77 -2.969 11.116 8.318 1.00 32.00 H new ATOM 487 N ALA A 78 0.742 9.953 4.763 1.00 15.33 N ATOM 488 CA ALA A 78 1.332 8.762 4.166 1.00 34.21 C ATOM 489 C ALA A 78 2.067 9.102 2.874 1.00 22.14 C ATOM 490 O ALA A 78 2.034 8.339 1.910 1.00 35.20 O ATOM 491 CB ALA A 78 0.258 7.716 3.905 1.00 61.43 C ATOM 0 H ALA A 78 -0.022 10.360 4.224 1.00 15.33 H new ATOM 0 HA ALA A 78 2.058 8.354 4.869 1.00 34.21 H new ATOM 0 HB1 ALA A 78 0.712 6.831 3.459 1.00 61.43 H new ATOM 0 HB2 ALA A 78 -0.220 7.443 4.846 1.00 61.43 H new ATOM 0 HB3 ALA A 78 -0.489 8.123 3.223 1.00 61.43 H new ATOM 497 N GLY A 79 2.731 10.254 2.863 1.00 65.35 N ATOM 498 CA GLY A 79 3.465 10.675 1.683 1.00 22.34 C ATOM 499 C GLY A 79 3.123 12.090 1.263 1.00 44.34 C ATOM 500 O GLY A 79 2.300 12.297 0.371 1.00 4.44 O ATOM 0 H GLY A 79 2.774 10.903 3.649 1.00 65.35 H new ATOM 0 HA2 GLY A 79 4.535 10.606 1.880 1.00 22.34 H new ATOM 0 HA3 GLY A 79 3.248 9.993 0.861 1.00 22.34 H new ATOM 504 N GLN A 80 3.756 13.066 1.906 1.00 15.33 N ATOM 505 CA GLN A 80 3.511 14.470 1.595 1.00 63.43 C ATOM 506 C GLN A 80 4.567 15.006 0.634 1.00 63.55 C ATOM 507 O GLN A 80 4.710 16.216 0.467 1.00 50.41 O ATOM 508 CB GLN A 80 3.501 15.304 2.877 1.00 52.25 C ATOM 509 CG GLN A 80 2.346 16.289 2.952 1.00 54.55 C ATOM 510 CD GLN A 80 2.755 17.699 2.571 1.00 31.32 C ATOM 511 OE1 GLN A 80 3.909 17.950 2.224 1.00 62.11 O ATOM 512 NE2 GLN A 80 1.808 18.628 2.635 1.00 63.13 N ATOM 0 H GLN A 80 4.442 12.911 2.645 1.00 15.33 H new ATOM 0 HA GLN A 80 2.536 14.545 1.114 1.00 63.43 H new ATOM 0 HB2 GLN A 80 3.453 14.635 3.736 1.00 52.25 H new ATOM 0 HB3 GLN A 80 4.440 15.852 2.952 1.00 52.25 H new ATOM 0 HG2 GLN A 80 1.546 15.956 2.291 1.00 54.55 H new ATOM 0 HG3 GLN A 80 1.942 16.293 3.964 1.00 54.55 H new ATOM 0 HE21 GLN A 80 0.864 18.375 2.928 1.00 63.13 H new ATOM 0 HE22 GLN A 80 2.024 19.594 2.391 1.00 63.13 H new ATOM 521 N GLN A 81 5.304 14.096 0.005 1.00 63.33 N ATOM 522 CA GLN A 81 6.348 14.478 -0.939 1.00 10.11 C ATOM 523 C GLN A 81 5.743 15.039 -2.222 1.00 2.03 C ATOM 524 O GLN A 81 6.434 15.674 -3.018 1.00 72.53 O ATOM 525 CB GLN A 81 7.237 13.276 -1.263 1.00 40.32 C ATOM 526 CG GLN A 81 8.347 13.050 -0.250 1.00 23.11 C ATOM 527 CD GLN A 81 9.379 14.160 -0.257 1.00 2.53 C ATOM 528 OE1 GLN A 81 9.447 14.967 0.672 1.00 74.44 O ATOM 529 NE2 GLN A 81 10.191 14.209 -1.307 1.00 34.53 N ATOM 0 H GLN A 81 5.198 13.090 0.132 1.00 63.33 H new ATOM 0 HA GLN A 81 6.955 15.255 -0.475 1.00 10.11 H new ATOM 0 HB2 GLN A 81 6.618 12.381 -1.317 1.00 40.32 H new ATOM 0 HB3 GLN A 81 7.680 13.417 -2.249 1.00 40.32 H new ATOM 0 HG2 GLN A 81 7.913 12.969 0.747 1.00 23.11 H new ATOM 0 HG3 GLN A 81 8.839 12.101 -0.462 1.00 23.11 H new ATOM 0 HE21 GLN A 81 10.100 13.521 -2.054 1.00 34.53 H new ATOM 0 HE22 GLN A 81 10.905 14.935 -1.366 1.00 34.53 H new ATOM 538 N GLU A 82 4.450 14.800 -2.414 1.00 73.13 N ATOM 539 CA GLU A 82 3.753 15.281 -3.602 1.00 21.24 C ATOM 540 C GLU A 82 3.225 16.696 -3.387 1.00 13.25 C ATOM 541 O GLU A 82 3.460 17.589 -4.201 1.00 0.12 O ATOM 542 CB GLU A 82 2.598 14.342 -3.958 1.00 5.21 C ATOM 543 CG GLU A 82 2.929 12.871 -3.769 1.00 43.31 C ATOM 544 CD GLU A 82 4.319 12.518 -4.261 1.00 44.13 C ATOM 545 OE1 GLU A 82 4.693 12.977 -5.361 1.00 50.21 O ATOM 546 OE2 GLU A 82 5.033 11.783 -3.548 1.00 22.03 O ATOM 0 H GLU A 82 3.864 14.277 -1.763 1.00 73.13 H new ATOM 0 HA GLU A 82 4.465 15.299 -4.427 1.00 21.24 H new ATOM 0 HB2 GLU A 82 1.734 14.593 -3.343 1.00 5.21 H new ATOM 0 HB3 GLU A 82 2.310 14.511 -4.996 1.00 5.21 H new ATOM 0 HG2 GLU A 82 2.846 12.617 -2.712 1.00 43.31 H new ATOM 0 HG3 GLU A 82 2.195 12.266 -4.301 1.00 43.31 H new ATOM 553 N PHE A 83 2.509 16.893 -2.284 1.00 74.15 N ATOM 554 CA PHE A 83 1.945 18.199 -1.962 1.00 32.50 C ATOM 555 C PHE A 83 2.975 19.303 -2.174 1.00 45.55 C ATOM 556 O PHE A 83 4.011 19.339 -1.510 1.00 22.03 O ATOM 557 CB PHE A 83 1.448 18.220 -0.515 1.00 25.02 C ATOM 558 CG PHE A 83 0.236 17.364 -0.284 1.00 60.12 C ATOM 559 CD1 PHE A 83 0.362 15.997 -0.097 1.00 62.15 C ATOM 560 CD2 PHE A 83 -1.030 17.926 -0.255 1.00 1.44 C ATOM 561 CE1 PHE A 83 -0.751 15.206 0.115 1.00 15.24 C ATOM 562 CE2 PHE A 83 -2.147 17.141 -0.042 1.00 30.02 C ATOM 563 CZ PHE A 83 -2.008 15.779 0.142 1.00 2.12 C ATOM 0 H PHE A 83 2.306 16.165 -1.599 1.00 74.15 H new ATOM 0 HA PHE A 83 1.103 18.379 -2.631 1.00 32.50 H new ATOM 0 HB2 PHE A 83 2.251 17.884 0.141 1.00 25.02 H new ATOM 0 HB3 PHE A 83 1.216 19.247 -0.234 1.00 25.02 H new ATOM 0 HD1 PHE A 83 1.342 15.544 -0.117 1.00 62.15 H new ATOM 0 HD2 PHE A 83 -1.145 18.990 -0.401 1.00 1.44 H new ATOM 0 HE1 PHE A 83 -0.639 14.142 0.259 1.00 15.24 H new ATOM 0 HE2 PHE A 83 -3.128 17.592 -0.019 1.00 30.02 H new ATOM 0 HZ PHE A 83 -2.880 15.163 0.307 1.00 2.12 H new ATOM 573 N LYS A 84 2.684 20.204 -3.107 1.00 3.44 N ATOM 574 CA LYS A 84 3.583 21.312 -3.408 1.00 65.14 C ATOM 575 C LYS A 84 2.915 22.651 -3.114 1.00 2.13 C ATOM 576 O LYS A 84 3.518 23.710 -3.295 1.00 14.24 O ATOM 577 CB LYS A 84 4.018 21.258 -4.875 1.00 13.32 C ATOM 578 CG LYS A 84 2.927 21.671 -5.848 1.00 12.23 C ATOM 579 CD LYS A 84 3.328 21.391 -7.286 1.00 55.44 C ATOM 580 CE LYS A 84 4.134 22.540 -7.874 1.00 35.30 C ATOM 581 NZ LYS A 84 5.579 22.436 -7.530 1.00 72.34 N ATOM 0 H LYS A 84 1.832 20.188 -3.668 1.00 3.44 H new ATOM 0 HA LYS A 84 4.462 21.217 -2.770 1.00 65.14 H new ATOM 0 HB2 LYS A 84 4.882 21.908 -5.013 1.00 13.32 H new ATOM 0 HB3 LYS A 84 4.341 20.244 -5.113 1.00 13.32 H new ATOM 0 HG2 LYS A 84 2.008 21.134 -5.615 1.00 12.23 H new ATOM 0 HG3 LYS A 84 2.715 22.733 -5.729 1.00 12.23 H new ATOM 0 HD2 LYS A 84 3.915 20.474 -7.329 1.00 55.44 H new ATOM 0 HD3 LYS A 84 2.435 21.226 -7.888 1.00 55.44 H new ATOM 0 HE2 LYS A 84 4.018 22.548 -8.958 1.00 35.30 H new ATOM 0 HE3 LYS A 84 3.740 23.487 -7.505 1.00 35.30 H new ATOM 0 HZ1 LYS A 84 5.862 23.263 -6.966 1.00 72.34 H new ATOM 0 HZ2 LYS A 84 5.743 21.569 -6.980 1.00 72.34 H new ATOM 0 HZ3 LYS A 84 6.142 22.404 -8.404 1.00 72.34 H new ATOM 595 N LEU A 85 1.669 22.597 -2.658 1.00 54.30 N ATOM 596 CA LEU A 85 0.919 23.807 -2.336 1.00 73.44 C ATOM 597 C LEU A 85 0.117 23.625 -1.052 1.00 21.35 C ATOM 598 O LEU A 85 -0.189 22.507 -0.635 1.00 14.41 O ATOM 599 CB LEU A 85 -0.019 24.170 -3.489 1.00 11.41 C ATOM 600 CG LEU A 85 -1.455 23.659 -3.373 1.00 33.43 C ATOM 601 CD1 LEU A 85 -2.270 24.075 -4.588 1.00 31.44 C ATOM 602 CD2 LEU A 85 -1.471 22.146 -3.211 1.00 23.45 C ATOM 0 H LEU A 85 1.156 21.729 -2.503 1.00 54.30 H new ATOM 0 HA LEU A 85 1.632 24.618 -2.185 1.00 73.44 H new ATOM 0 HB2 LEU A 85 -0.047 25.256 -3.580 1.00 11.41 H new ATOM 0 HB3 LEU A 85 0.409 23.784 -4.414 1.00 11.41 H new ATOM 0 HG LEU A 85 -1.908 24.105 -2.487 1.00 33.43 H new ATOM 0 HD11 LEU A 85 -3.289 23.702 -4.487 1.00 31.44 H new ATOM 0 HD12 LEU A 85 -2.287 25.162 -4.660 1.00 31.44 H new ATOM 0 HD13 LEU A 85 -1.819 23.659 -5.489 1.00 31.44 H new ATOM 0 HD21 LEU A 85 -2.501 21.800 -3.130 1.00 23.45 H new ATOM 0 HD22 LEU A 85 -0.999 21.682 -4.077 1.00 23.45 H new ATOM 0 HD23 LEU A 85 -0.924 21.871 -2.309 1.00 23.45 H new ATOM 614 N PRO A 86 -0.233 24.748 -0.408 1.00 53.33 N ATOM 615 CA PRO A 86 -1.007 24.739 0.837 1.00 5.21 C ATOM 616 C PRO A 86 -2.450 24.297 0.620 1.00 24.12 C ATOM 617 O PRO A 86 -2.805 23.804 -0.451 1.00 2.13 O ATOM 618 CB PRO A 86 -0.958 26.199 1.295 1.00 22.15 C ATOM 619 CG PRO A 86 -0.745 26.982 0.046 1.00 72.52 C ATOM 620 CD PRO A 86 0.098 26.114 -0.848 1.00 11.35 C ATOM 0 HA PRO A 86 -0.601 24.036 1.564 1.00 5.21 H new ATOM 0 HB2 PRO A 86 -1.884 26.489 1.791 1.00 22.15 H new ATOM 0 HB3 PRO A 86 -0.150 26.363 2.008 1.00 22.15 H new ATOM 0 HG2 PRO A 86 -1.695 27.225 -0.429 1.00 72.52 H new ATOM 0 HG3 PRO A 86 -0.244 27.927 0.258 1.00 72.52 H new ATOM 0 HD2 PRO A 86 -0.143 26.267 -1.900 1.00 11.35 H new ATOM 0 HD3 PRO A 86 1.160 26.328 -0.730 1.00 11.35 H new ATOM 628 N LYS A 87 -3.279 24.476 1.643 1.00 4.20 N ATOM 629 CA LYS A 87 -4.684 24.097 1.565 1.00 54.54 C ATOM 630 C LYS A 87 -5.533 25.257 1.053 1.00 44.31 C ATOM 631 O LYS A 87 -6.761 25.214 1.114 1.00 15.44 O ATOM 632 CB LYS A 87 -5.190 23.649 2.937 1.00 32.44 C ATOM 633 CG LYS A 87 -5.273 24.775 3.953 1.00 33.11 C ATOM 634 CD LYS A 87 -5.504 24.243 5.358 1.00 41.22 C ATOM 635 CE LYS A 87 -6.936 23.765 5.545 1.00 65.34 C ATOM 636 NZ LYS A 87 -7.872 24.898 5.783 1.00 32.53 N ATOM 0 H LYS A 87 -3.001 24.882 2.537 1.00 4.20 H new ATOM 0 HA LYS A 87 -4.772 23.267 0.863 1.00 54.54 H new ATOM 0 HB2 LYS A 87 -6.177 23.201 2.822 1.00 32.44 H new ATOM 0 HB3 LYS A 87 -4.530 22.872 3.322 1.00 32.44 H new ATOM 0 HG2 LYS A 87 -4.351 25.356 3.930 1.00 33.11 H new ATOM 0 HG3 LYS A 87 -6.083 25.452 3.682 1.00 33.11 H new ATOM 0 HD2 LYS A 87 -4.816 23.420 5.554 1.00 41.22 H new ATOM 0 HD3 LYS A 87 -5.282 25.024 6.085 1.00 41.22 H new ATOM 0 HE2 LYS A 87 -7.253 23.212 4.661 1.00 65.34 H new ATOM 0 HE3 LYS A 87 -6.981 23.074 6.386 1.00 65.34 H new ATOM 0 HZ1 LYS A 87 -8.837 24.531 5.905 1.00 32.53 H new ATOM 0 HZ2 LYS A 87 -7.585 25.411 6.641 1.00 32.53 H new ATOM 0 HZ3 LYS A 87 -7.848 25.545 4.969 1.00 32.53 H new ATOM 650 N ASP A 88 -4.869 26.291 0.547 1.00 13.22 N ATOM 651 CA ASP A 88 -5.563 27.462 0.022 1.00 22.32 C ATOM 652 C ASP A 88 -6.311 27.119 -1.262 1.00 54.21 C ATOM 653 O ASP A 88 -7.330 27.732 -1.581 1.00 53.24 O ATOM 654 CB ASP A 88 -4.569 28.595 -0.239 1.00 15.14 C ATOM 655 CG ASP A 88 -3.937 29.116 1.037 1.00 32.11 C ATOM 656 OD1 ASP A 88 -4.486 28.844 2.125 1.00 73.31 O ATOM 657 OD2 ASP A 88 -2.894 29.796 0.948 1.00 44.44 O ATOM 0 H ASP A 88 -3.852 26.342 0.489 1.00 13.22 H new ATOM 0 HA ASP A 88 -6.288 27.789 0.767 1.00 22.32 H new ATOM 0 HB2 ASP A 88 -3.787 28.241 -0.910 1.00 15.14 H new ATOM 0 HB3 ASP A 88 -5.080 29.412 -0.748 1.00 15.14 H new ATOM 662 N PHE A 89 -5.799 26.137 -1.996 1.00 22.24 N ATOM 663 CA PHE A 89 -6.418 25.714 -3.247 1.00 25.14 C ATOM 664 C PHE A 89 -7.619 24.811 -2.981 1.00 41.42 C ATOM 665 O PHE A 89 -7.667 23.670 -3.442 1.00 13.15 O ATOM 666 CB PHE A 89 -5.399 24.981 -4.122 1.00 44.40 C ATOM 667 CG PHE A 89 -5.673 25.106 -5.593 1.00 50.04 C ATOM 668 CD1 PHE A 89 -6.554 24.241 -6.223 1.00 43.20 C ATOM 669 CD2 PHE A 89 -5.051 26.088 -6.347 1.00 1.31 C ATOM 670 CE1 PHE A 89 -6.807 24.353 -7.577 1.00 13.30 C ATOM 671 CE2 PHE A 89 -5.301 26.206 -7.701 1.00 61.43 C ATOM 672 CZ PHE A 89 -6.181 25.337 -8.317 1.00 12.42 C ATOM 0 H PHE A 89 -4.957 25.619 -1.746 1.00 22.24 H new ATOM 0 HA PHE A 89 -6.764 26.604 -3.772 1.00 25.14 H new ATOM 0 HB2 PHE A 89 -4.403 25.372 -3.911 1.00 44.40 H new ATOM 0 HB3 PHE A 89 -5.391 23.925 -3.850 1.00 44.40 H new ATOM 0 HD1 PHE A 89 -7.048 23.471 -5.649 1.00 43.20 H new ATOM 0 HD2 PHE A 89 -4.362 26.770 -5.871 1.00 1.31 H new ATOM 0 HE1 PHE A 89 -7.494 23.671 -8.056 1.00 13.30 H new ATOM 0 HE2 PHE A 89 -4.809 26.976 -8.277 1.00 61.43 H new ATOM 0 HZ PHE A 89 -6.379 25.427 -9.375 1.00 12.42 H new ATOM 682 N THR A 90 -8.588 25.331 -2.235 1.00 35.05 N ATOM 683 CA THR A 90 -9.789 24.573 -1.906 1.00 12.35 C ATOM 684 C THR A 90 -11.042 25.424 -2.081 1.00 43.41 C ATOM 685 O THR A 90 -12.143 25.006 -1.727 1.00 0.03 O ATOM 686 CB THR A 90 -9.741 24.044 -0.460 1.00 23.50 C ATOM 687 OG1 THR A 90 -9.705 25.138 0.462 1.00 12.51 O ATOM 688 CG2 THR A 90 -8.523 23.157 -0.249 1.00 62.32 C ATOM 0 H THR A 90 -8.565 26.274 -1.847 1.00 35.05 H new ATOM 0 HA THR A 90 -9.827 23.728 -2.594 1.00 12.35 H new ATOM 0 HB THR A 90 -10.639 23.451 -0.284 1.00 23.50 H new ATOM 0 HG1 THR A 90 -8.782 25.290 0.754 1.00 12.51 H new ATOM 0 HG21 THR A 90 -8.510 22.795 0.779 1.00 62.32 H new ATOM 0 HG22 THR A 90 -8.568 22.309 -0.932 1.00 62.32 H new ATOM 0 HG23 THR A 90 -7.617 23.731 -0.443 1.00 62.32 H new ATOM 696 N GLY A 91 -10.866 26.622 -2.632 1.00 23.15 N ATOM 697 CA GLY A 91 -11.991 27.513 -2.845 1.00 32.20 C ATOM 698 C GLY A 91 -12.234 27.799 -4.314 1.00 4.24 C ATOM 699 O GLY A 91 -12.895 28.778 -4.661 1.00 62.22 O ATOM 0 H GLY A 91 -9.964 26.991 -2.934 1.00 23.15 H new ATOM 0 HA2 GLY A 91 -12.888 27.071 -2.411 1.00 32.20 H new ATOM 0 HA3 GLY A 91 -11.812 28.451 -2.320 1.00 32.20 H new ATOM 703 N ARG A 92 -11.696 26.945 -5.178 1.00 60.20 N ATOM 704 CA ARG A 92 -11.855 27.113 -6.617 1.00 61.25 C ATOM 705 C ARG A 92 -13.126 26.426 -7.108 1.00 30.31 C ATOM 706 O ARG A 92 -14.064 27.083 -7.560 1.00 20.44 O ATOM 707 CB ARG A 92 -10.640 26.548 -7.356 1.00 2.04 C ATOM 708 CG ARG A 92 -10.406 27.181 -8.718 1.00 35.42 C ATOM 709 CD ARG A 92 -9.076 26.748 -9.313 1.00 24.45 C ATOM 710 NE ARG A 92 -8.025 27.736 -9.081 1.00 73.41 N ATOM 711 CZ ARG A 92 -7.872 28.831 -9.816 1.00 53.41 C ATOM 712 NH1 ARG A 92 -8.698 29.078 -10.824 1.00 1.42 N ATOM 713 NH2 ARG A 92 -6.892 29.683 -9.543 1.00 52.34 N ATOM 0 H ARG A 92 -11.146 26.130 -4.907 1.00 60.20 H new ATOM 0 HA ARG A 92 -11.935 28.180 -6.825 1.00 61.25 H new ATOM 0 HB2 ARG A 92 -9.752 26.692 -6.741 1.00 2.04 H new ATOM 0 HB3 ARG A 92 -10.770 25.473 -7.482 1.00 2.04 H new ATOM 0 HG2 ARG A 92 -11.215 26.903 -9.393 1.00 35.42 H new ATOM 0 HG3 ARG A 92 -10.427 28.267 -8.624 1.00 35.42 H new ATOM 0 HD2 ARG A 92 -8.778 25.793 -8.879 1.00 24.45 H new ATOM 0 HD3 ARG A 92 -9.193 26.588 -10.385 1.00 24.45 H new ATOM 0 HE ARG A 92 -7.373 27.576 -8.313 1.00 73.41 H new ATOM 0 HH11 ARG A 92 -9.453 28.426 -11.036 1.00 1.42 H new ATOM 0 HH12 ARG A 92 -8.578 29.920 -11.387 1.00 1.42 H new ATOM 0 HH21 ARG A 92 -6.256 29.497 -8.768 1.00 52.34 H new ATOM 0 HH22 ARG A 92 -6.775 30.524 -10.108 1.00 52.34 H new ATOM 727 N SER A 93 -13.149 25.100 -7.016 1.00 60.22 N ATOM 728 CA SER A 93 -14.303 24.323 -7.454 1.00 43.15 C ATOM 729 C SER A 93 -15.579 24.821 -6.783 1.00 72.51 C ATOM 730 O SER A 93 -15.622 25.011 -5.567 1.00 51.05 O ATOM 731 CB SER A 93 -14.094 22.840 -7.143 1.00 23.10 C ATOM 732 OG SER A 93 -12.943 22.338 -7.800 1.00 41.01 O ATOM 0 H SER A 93 -12.382 24.541 -6.642 1.00 60.22 H new ATOM 0 HA SER A 93 -14.407 24.449 -8.532 1.00 43.15 H new ATOM 0 HB2 SER A 93 -13.991 22.702 -6.067 1.00 23.10 H new ATOM 0 HB3 SER A 93 -14.971 22.273 -7.455 1.00 23.10 H new ATOM 0 HG SER A 93 -12.831 21.389 -7.584 1.00 41.01 H new ATOM 738 N LYS A 94 -16.619 25.029 -7.584 1.00 44.30 N ATOM 739 CA LYS A 94 -17.898 25.503 -7.070 1.00 51.41 C ATOM 740 C LYS A 94 -18.551 24.450 -6.180 1.00 41.34 C ATOM 741 O LYS A 94 -19.061 24.762 -5.104 1.00 2.03 O ATOM 742 CB LYS A 94 -18.835 25.861 -8.226 1.00 44.04 C ATOM 743 CG LYS A 94 -19.047 24.724 -9.211 1.00 34.03 C ATOM 744 CD LYS A 94 -19.218 25.239 -10.630 1.00 3.41 C ATOM 745 CE LYS A 94 -17.878 25.586 -11.262 1.00 31.24 C ATOM 746 NZ LYS A 94 -17.906 25.429 -12.742 1.00 62.31 N ATOM 0 H LYS A 94 -16.601 24.876 -8.592 1.00 44.30 H new ATOM 0 HA LYS A 94 -17.712 26.395 -6.471 1.00 51.41 H new ATOM 0 HB2 LYS A 94 -19.800 26.164 -7.820 1.00 44.04 H new ATOM 0 HB3 LYS A 94 -18.429 26.721 -8.759 1.00 44.04 H new ATOM 0 HG2 LYS A 94 -18.197 24.043 -9.170 1.00 34.03 H new ATOM 0 HG3 LYS A 94 -19.928 24.151 -8.922 1.00 34.03 H new ATOM 0 HD2 LYS A 94 -19.722 24.484 -11.234 1.00 3.41 H new ATOM 0 HD3 LYS A 94 -19.858 26.121 -10.623 1.00 3.41 H new ATOM 0 HE2 LYS A 94 -17.613 26.613 -11.011 1.00 31.24 H new ATOM 0 HE3 LYS A 94 -17.102 24.945 -10.843 1.00 31.24 H new ATOM 0 HZ1 LYS A 94 -16.975 25.675 -13.135 1.00 62.31 H new ATOM 0 HZ2 LYS A 94 -18.134 24.443 -12.982 1.00 62.31 H new ATOM 0 HZ3 LYS A 94 -18.629 26.059 -13.144 1.00 62.31 H new ATOM 760 N CYS A 95 -18.531 23.202 -6.636 1.00 44.31 N ATOM 761 CA CYS A 95 -19.119 22.103 -5.882 1.00 33.54 C ATOM 762 C CYS A 95 -20.533 22.451 -5.425 1.00 51.33 C ATOM 763 O CYS A 95 -20.755 22.790 -4.263 1.00 14.12 O ATOM 764 CB CYS A 95 -18.249 21.765 -4.669 1.00 72.34 C ATOM 765 SG CYS A 95 -16.488 21.517 -5.064 1.00 50.51 S ATOM 0 H CYS A 95 -18.113 22.927 -7.525 1.00 44.31 H new ATOM 0 HA CYS A 95 -19.171 21.234 -6.538 1.00 33.54 H new ATOM 0 HB2 CYS A 95 -18.337 22.568 -3.937 1.00 72.34 H new ATOM 0 HB3 CYS A 95 -18.636 20.861 -4.198 1.00 72.34 H new ATOM 770 N ARG A 96 -21.485 22.365 -6.349 1.00 10.42 N ATOM 771 CA ARG A 96 -22.877 22.673 -6.042 1.00 62.42 C ATOM 772 C ARG A 96 -23.454 21.658 -5.060 1.00 21.33 C ATOM 773 O ARG A 96 -24.432 21.937 -4.366 1.00 63.11 O ATOM 774 CB ARG A 96 -23.712 22.689 -7.324 1.00 1.51 C ATOM 775 CG ARG A 96 -25.180 23.006 -7.090 1.00 40.12 C ATOM 776 CD ARG A 96 -25.900 23.307 -8.396 1.00 4.25 C ATOM 777 NE ARG A 96 -27.110 24.096 -8.184 1.00 33.12 N ATOM 778 CZ ARG A 96 -27.981 24.379 -9.146 1.00 43.15 C ATOM 779 NH1 ARG A 96 -27.775 23.940 -10.381 1.00 35.25 N ATOM 780 NH2 ARG A 96 -29.059 25.103 -8.876 1.00 35.35 N ATOM 0 H ARG A 96 -21.318 22.085 -7.315 1.00 10.42 H new ATOM 0 HA ARG A 96 -22.912 23.660 -5.581 1.00 62.42 H new ATOM 0 HB2 ARG A 96 -23.295 23.426 -8.010 1.00 1.51 H new ATOM 0 HB3 ARG A 96 -23.632 21.718 -7.812 1.00 1.51 H new ATOM 0 HG2 ARG A 96 -25.661 22.163 -6.594 1.00 40.12 H new ATOM 0 HG3 ARG A 96 -25.266 23.861 -6.420 1.00 40.12 H new ATOM 0 HD2 ARG A 96 -25.228 23.846 -9.064 1.00 4.25 H new ATOM 0 HD3 ARG A 96 -26.159 22.371 -8.891 1.00 4.25 H new ATOM 0 HE ARG A 96 -27.297 24.449 -7.246 1.00 33.12 H new ATOM 0 HH11 ARG A 96 -26.947 23.384 -10.593 1.00 35.25 H new ATOM 0 HH12 ARG A 96 -28.445 24.158 -11.118 1.00 35.25 H new ATOM 0 HH21 ARG A 96 -29.220 25.444 -7.928 1.00 35.35 H new ATOM 0 HH22 ARG A 96 -29.727 25.319 -9.616 1.00 35.35 H new ATOM 794 N SER A 97 -22.842 20.479 -5.007 1.00 20.11 N ATOM 795 CA SER A 97 -23.297 19.421 -4.113 1.00 33.31 C ATOM 796 C SER A 97 -23.364 19.918 -2.672 1.00 63.10 C ATOM 797 O SER A 97 -24.147 19.416 -1.865 1.00 31.41 O ATOM 798 CB SER A 97 -22.366 18.211 -4.204 1.00 64.34 C ATOM 799 OG SER A 97 -22.904 17.099 -3.510 1.00 70.33 O ATOM 0 H SER A 97 -22.030 20.233 -5.573 1.00 20.11 H new ATOM 0 HA SER A 97 -24.299 19.124 -4.423 1.00 33.31 H new ATOM 0 HB2 SER A 97 -22.207 17.948 -5.250 1.00 64.34 H new ATOM 0 HB3 SER A 97 -21.391 18.466 -3.788 1.00 64.34 H new ATOM 0 HG SER A 97 -22.290 16.339 -3.585 1.00 70.33 H new ATOM 805 N LEU A 98 -22.536 20.908 -2.356 1.00 32.21 N ATOM 806 CA LEU A 98 -22.500 21.475 -1.012 1.00 65.23 C ATOM 807 C LEU A 98 -23.898 21.873 -0.551 1.00 2.20 C ATOM 808 O LEU A 98 -24.267 21.658 0.603 1.00 61.44 O ATOM 809 CB LEU A 98 -21.572 22.691 -0.976 1.00 32.23 C ATOM 810 CG LEU A 98 -20.132 22.450 -1.430 1.00 0.52 C ATOM 811 CD1 LEU A 98 -19.477 23.760 -1.841 1.00 64.44 C ATOM 812 CD2 LEU A 98 -19.331 21.774 -0.327 1.00 2.53 C ATOM 0 H LEU A 98 -21.881 21.334 -3.011 1.00 32.21 H new ATOM 0 HA LEU A 98 -22.118 20.713 -0.332 1.00 65.23 H new ATOM 0 HB2 LEU A 98 -22.004 23.471 -1.603 1.00 32.23 H new ATOM 0 HB3 LEU A 98 -21.551 23.077 0.043 1.00 32.23 H new ATOM 0 HG LEU A 98 -20.150 21.788 -2.296 1.00 0.52 H new ATOM 0 HD11 LEU A 98 -18.453 23.570 -2.161 1.00 64.44 H new ATOM 0 HD12 LEU A 98 -20.038 24.205 -2.663 1.00 64.44 H new ATOM 0 HD13 LEU A 98 -19.471 24.445 -0.993 1.00 64.44 H new ATOM 0 HD21 LEU A 98 -18.309 21.610 -0.668 1.00 2.53 H new ATOM 0 HD22 LEU A 98 -19.321 22.411 0.558 1.00 2.53 H new ATOM 0 HD23 LEU A 98 -19.789 20.816 -0.080 1.00 2.53 H new ATOM 824 N GLY A 99 -24.673 22.455 -1.462 1.00 22.53 N ATOM 825 CA GLY A 99 -26.023 22.872 -1.130 1.00 25.22 C ATOM 826 C GLY A 99 -26.922 22.948 -2.348 1.00 21.24 C ATOM 827 O GLY A 99 -26.983 23.978 -3.019 1.00 60.11 O ATOM 0 H GLY A 99 -24.390 22.645 -2.423 1.00 22.53 H new ATOM 0 HA2 GLY A 99 -26.449 22.173 -0.411 1.00 25.22 H new ATOM 0 HA3 GLY A 99 -25.990 23.848 -0.645 1.00 25.22 H new ATOM 831 N ARG A 100 -27.621 21.854 -2.635 1.00 5.35 N ATOM 832 CA ARG A 100 -28.519 21.801 -3.782 1.00 23.43 C ATOM 833 C ARG A 100 -29.955 22.102 -3.363 1.00 24.34 C ATOM 834 O ARG A 100 -30.905 21.667 -4.013 1.00 55.22 O ATOM 835 CB ARG A 100 -28.448 20.425 -4.447 1.00 52.05 C ATOM 836 CG ARG A 100 -29.052 20.392 -5.842 1.00 33.31 C ATOM 837 CD ARG A 100 -30.007 19.220 -6.007 1.00 54.03 C ATOM 838 NE ARG A 100 -31.404 19.636 -5.915 1.00 74.54 N ATOM 839 CZ ARG A 100 -32.421 18.784 -5.834 1.00 64.10 C ATOM 840 NH1 ARG A 100 -32.196 17.477 -5.833 1.00 13.13 N ATOM 841 NH2 ARG A 100 -33.664 19.239 -5.753 1.00 74.02 N ATOM 0 H ARG A 100 -27.582 20.993 -2.089 1.00 5.35 H new ATOM 0 HA ARG A 100 -28.201 22.560 -4.497 1.00 23.43 H new ATOM 0 HB2 ARG A 100 -27.406 20.111 -4.504 1.00 52.05 H new ATOM 0 HB3 ARG A 100 -28.965 19.700 -3.819 1.00 52.05 H new ATOM 0 HG2 ARG A 100 -29.583 21.325 -6.032 1.00 33.31 H new ATOM 0 HG3 ARG A 100 -28.256 20.321 -6.583 1.00 33.31 H new ATOM 0 HD2 ARG A 100 -29.833 18.744 -6.972 1.00 54.03 H new ATOM 0 HD3 ARG A 100 -29.800 18.473 -5.241 1.00 54.03 H new ATOM 0 HE ARG A 100 -31.610 20.635 -5.913 1.00 74.54 H new ATOM 0 HH11 ARG A 100 -31.241 17.124 -5.894 1.00 13.13 H new ATOM 0 HH12 ARG A 100 -32.978 16.825 -5.771 1.00 13.13 H new ATOM 0 HH21 ARG A 100 -33.840 20.244 -5.753 1.00 74.02 H new ATOM 0 HH22 ARG A 100 -34.444 18.584 -5.691 1.00 74.02 H new ATOM 855 N ILE A 101 -30.103 22.847 -2.273 1.00 13.03 N ATOM 856 CA ILE A 101 -31.423 23.206 -1.768 1.00 4.23 C ATOM 857 C ILE A 101 -31.722 24.681 -2.013 1.00 12.23 C ATOM 858 O ILE A 101 -32.305 25.357 -1.164 1.00 45.44 O ATOM 859 CB ILE A 101 -31.548 22.912 -0.261 1.00 71.22 C ATOM 860 CG1 ILE A 101 -30.380 23.540 0.502 1.00 33.44 C ATOM 861 CG2 ILE A 101 -31.602 21.411 -0.017 1.00 43.05 C ATOM 862 CD1 ILE A 101 -30.719 23.906 1.930 1.00 30.55 C ATOM 0 H ILE A 101 -29.326 23.214 -1.723 1.00 13.03 H new ATOM 0 HA ILE A 101 -32.145 22.596 -2.310 1.00 4.23 H new ATOM 0 HB ILE A 101 -32.475 23.353 0.105 1.00 71.22 H new ATOM 0 HG12 ILE A 101 -29.541 22.844 0.503 1.00 33.44 H new ATOM 0 HG13 ILE A 101 -30.051 24.435 -0.026 1.00 33.44 H new ATOM 0 HG21 ILE A 101 -31.690 21.219 1.052 1.00 43.05 H new ATOM 0 HG22 ILE A 101 -32.464 20.989 -0.534 1.00 43.05 H new ATOM 0 HG23 ILE A 101 -30.690 20.948 -0.395 1.00 43.05 H new ATOM 0 HD11 ILE A 101 -29.845 24.346 2.410 1.00 30.55 H new ATOM 0 HD12 ILE A 101 -31.537 24.626 1.937 1.00 30.55 H new ATOM 0 HD13 ILE A 101 -31.019 23.010 2.474 1.00 30.55 H new ATOM 874 N LYS A 102 -31.322 25.175 -3.180 1.00 23.35 N ATOM 875 CA LYS A 102 -31.549 26.569 -3.540 1.00 12.13 C ATOM 876 C LYS A 102 -32.929 26.752 -4.164 1.00 30.32 C ATOM 877 O LYS A 102 -33.812 27.373 -3.572 1.00 5.53 O ATOM 878 CB LYS A 102 -30.470 27.048 -4.513 1.00 50.51 C ATOM 879 CG LYS A 102 -29.078 27.089 -3.906 1.00 72.34 C ATOM 880 CD LYS A 102 -28.900 28.295 -2.999 1.00 61.51 C ATOM 881 CE LYS A 102 -28.770 29.581 -3.801 1.00 34.34 C ATOM 882 NZ LYS A 102 -28.288 30.712 -2.960 1.00 74.33 N ATOM 0 H LYS A 102 -30.838 24.629 -3.893 1.00 23.35 H new ATOM 0 HA LYS A 102 -31.499 27.166 -2.629 1.00 12.13 H new ATOM 0 HB2 LYS A 102 -30.459 26.391 -5.382 1.00 50.51 H new ATOM 0 HB3 LYS A 102 -30.731 28.044 -4.870 1.00 50.51 H new ATOM 0 HG2 LYS A 102 -28.901 26.176 -3.338 1.00 72.34 H new ATOM 0 HG3 LYS A 102 -28.334 27.118 -4.702 1.00 72.34 H new ATOM 0 HD2 LYS A 102 -29.751 28.371 -2.322 1.00 61.51 H new ATOM 0 HD3 LYS A 102 -28.012 28.159 -2.381 1.00 61.51 H new ATOM 0 HE2 LYS A 102 -28.079 29.424 -4.630 1.00 34.34 H new ATOM 0 HE3 LYS A 102 -29.736 29.837 -4.236 1.00 34.34 H new ATOM 0 HZ1 LYS A 102 -28.212 31.570 -3.543 1.00 74.33 H new ATOM 0 HZ2 LYS A 102 -28.960 30.878 -2.184 1.00 74.33 H new ATOM 0 HZ3 LYS A 102 -27.355 30.478 -2.566 1.00 74.33 H new TER 896 LYS A 102