USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 841 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 21 THR OG1 : rot -20:sc= 0.358 USER MOD Set 1.2: A 23 TYR OH : rot 180:sc= 0.943 USER MOD Set 1.3: A 47 LYS NZ :NH3+ 144:sc= 0.948 (180deg=-0.0105) USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= -0.0311 (180deg=-0.0997) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.785 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00321 USER MOD Single : A 26 TYR OH : rot 166:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= 2.11 (180deg=1.58) USER MOD Single : A 34 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00692) USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0.676 (180deg=0.628) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 154:sc= -0.92 (180deg=-2.04!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 53 CYS SG : rot 60:sc= -2.61! USER MOD Single : A 54 LYS NZ :NH3+ -103:sc= -0.985 (180deg=-3.22!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 160:sc= 1.1 (180deg=0.846) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -109:sc= -1.19 (180deg=-2.64!) USER MOD Single : A 72 LYS NZ :NH3+ -114:sc= 0.913 (180deg=-0.0492) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0343) USER MOD Single : A 82 ASN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 169:sc= 0.282 (180deg=0.143) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 91 LYS NZ :NH3+ 166:sc= 0.486 (180deg=0.392) USER MOD Single : A 92 GLN : amide:sc= -0.751 X(o=-0.75,f=-0.58) USER MOD Single : A 93 SER OG : rot 83:sc= -2! USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLU A 5 5.787 -17.012 -4.525 1.00 75.21 N ATOM 60 CA GLU A 5 5.573 -16.025 -3.456 1.00 21.11 C ATOM 61 C GLU A 5 4.606 -14.951 -3.969 1.00 1.44 C ATOM 62 O GLU A 5 4.774 -14.465 -5.099 1.00 10.10 O ATOM 63 CB GLU A 5 6.916 -15.359 -3.007 1.00 10.11 C ATOM 64 CG GLU A 5 8.080 -16.341 -2.694 1.00 24.32 C ATOM 65 CD GLU A 5 8.740 -16.949 -3.951 1.00 34.20 C ATOM 66 OE1 GLU A 5 9.203 -16.173 -4.811 1.00 54.43 O ATOM 67 OE2 GLU A 5 8.791 -18.190 -4.094 1.00 23.42 O ATOM 0 HA GLU A 5 5.155 -16.535 -2.588 1.00 21.11 H new ATOM 0 HB2 GLU A 5 7.242 -14.675 -3.791 1.00 10.11 H new ATOM 0 HB3 GLU A 5 6.723 -14.757 -2.119 1.00 10.11 H new ATOM 0 HG2 GLU A 5 8.839 -15.816 -2.115 1.00 24.32 H new ATOM 0 HG3 GLU A 5 7.702 -17.149 -2.067 1.00 24.32 H new ATOM 74 N LEU A 6 3.614 -14.583 -3.138 1.00 24.51 N ATOM 75 CA LEU A 6 2.600 -13.588 -3.501 1.00 70.20 C ATOM 76 C LEU A 6 3.275 -12.208 -3.596 1.00 54.44 C ATOM 77 O LEU A 6 3.565 -11.562 -2.577 1.00 60.22 O ATOM 78 CB LEU A 6 1.428 -13.575 -2.478 1.00 41.02 C ATOM 79 CG LEU A 6 0.542 -14.872 -2.381 1.00 52.40 C ATOM 80 CD1 LEU A 6 0.075 -15.335 -3.776 1.00 3.24 C ATOM 81 CD2 LEU A 6 1.243 -16.014 -1.600 1.00 44.33 C ATOM 0 H LEU A 6 3.497 -14.968 -2.201 1.00 24.51 H new ATOM 0 HA LEU A 6 2.168 -13.847 -4.468 1.00 70.20 H new ATOM 0 HB2 LEU A 6 1.844 -13.376 -1.490 1.00 41.02 H new ATOM 0 HB3 LEU A 6 0.775 -12.738 -2.724 1.00 41.02 H new ATOM 0 HG LEU A 6 -0.345 -14.608 -1.805 1.00 52.40 H new ATOM 0 HD11 LEU A 6 -0.535 -16.233 -3.676 1.00 3.24 H new ATOM 0 HD12 LEU A 6 -0.515 -14.546 -4.243 1.00 3.24 H new ATOM 0 HD13 LEU A 6 0.944 -15.554 -4.397 1.00 3.24 H new ATOM 0 HD21 LEU A 6 0.588 -16.885 -1.563 1.00 44.33 H new ATOM 0 HD22 LEU A 6 2.173 -16.280 -2.102 1.00 44.33 H new ATOM 0 HD23 LEU A 6 1.461 -15.681 -0.585 1.00 44.33 H new ATOM 93 N ARG A 7 3.556 -11.792 -4.835 1.00 11.53 N ATOM 94 CA ARG A 7 4.350 -10.596 -5.115 1.00 50.14 C ATOM 95 C ARG A 7 3.505 -9.321 -5.055 1.00 11.03 C ATOM 96 O ARG A 7 2.407 -9.263 -5.612 1.00 23.51 O ATOM 97 CB ARG A 7 5.082 -10.710 -6.483 1.00 41.10 C ATOM 98 CG ARG A 7 4.211 -11.139 -7.690 1.00 14.54 C ATOM 99 CD ARG A 7 4.817 -10.740 -9.058 1.00 42.22 C ATOM 100 NE ARG A 7 6.216 -11.187 -9.248 1.00 35.41 N ATOM 101 CZ ARG A 7 7.315 -10.441 -9.001 1.00 40.21 C ATOM 102 NH1 ARG A 7 7.210 -9.186 -8.546 1.00 53.01 N ATOM 103 NH2 ARG A 7 8.514 -10.959 -9.215 1.00 74.25 N ATOM 0 H ARG A 7 3.237 -12.278 -5.673 1.00 11.53 H new ATOM 0 HA ARG A 7 5.104 -10.526 -4.331 1.00 50.14 H new ATOM 0 HB2 ARG A 7 5.533 -9.745 -6.712 1.00 41.10 H new ATOM 0 HB3 ARG A 7 5.897 -11.426 -6.377 1.00 41.10 H new ATOM 0 HG2 ARG A 7 4.073 -12.220 -7.663 1.00 14.54 H new ATOM 0 HG3 ARG A 7 3.223 -10.689 -7.594 1.00 14.54 H new ATOM 0 HD2 ARG A 7 4.201 -11.159 -9.853 1.00 42.22 H new ATOM 0 HD3 ARG A 7 4.775 -9.656 -9.160 1.00 42.22 H new ATOM 0 HE ARG A 7 6.362 -12.136 -9.594 1.00 35.41 H new ATOM 0 HH11 ARG A 7 6.290 -8.779 -8.380 1.00 53.01 H new ATOM 0 HH12 ARG A 7 8.050 -8.637 -8.365 1.00 53.01 H new ATOM 0 HH21 ARG A 7 8.602 -11.914 -9.563 1.00 74.25 H new ATOM 0 HH22 ARG A 7 9.350 -10.404 -9.032 1.00 74.25 H new ATOM 117 N VAL A 8 4.032 -8.320 -4.339 1.00 21.11 N ATOM 118 CA VAL A 8 3.454 -6.976 -4.284 1.00 3.55 C ATOM 119 C VAL A 8 4.263 -6.054 -5.221 1.00 22.42 C ATOM 120 O VAL A 8 5.494 -6.171 -5.315 1.00 25.33 O ATOM 121 CB VAL A 8 3.451 -6.389 -2.816 1.00 12.50 C ATOM 122 CG1 VAL A 8 2.796 -7.364 -1.813 1.00 73.33 C ATOM 123 CG2 VAL A 8 4.861 -6.006 -2.345 1.00 74.11 C ATOM 0 H VAL A 8 4.878 -8.423 -3.778 1.00 21.11 H new ATOM 0 HA VAL A 8 2.414 -7.033 -4.606 1.00 3.55 H new ATOM 0 HB VAL A 8 2.851 -5.479 -2.849 1.00 12.50 H new ATOM 0 HG11 VAL A 8 2.813 -6.925 -0.815 1.00 73.33 H new ATOM 0 HG12 VAL A 8 1.764 -7.552 -2.109 1.00 73.33 H new ATOM 0 HG13 VAL A 8 3.348 -8.304 -1.806 1.00 73.33 H new ATOM 0 HG21 VAL A 8 4.810 -5.607 -1.332 1.00 74.11 H new ATOM 0 HG22 VAL A 8 5.501 -6.889 -2.356 1.00 74.11 H new ATOM 0 HG23 VAL A 8 5.275 -5.250 -3.012 1.00 74.11 H new ATOM 133 N GLU A 9 3.562 -5.206 -5.973 1.00 54.32 N ATOM 134 CA GLU A 9 4.171 -4.101 -6.720 1.00 44.34 C ATOM 135 C GLU A 9 3.704 -2.803 -6.055 1.00 10.22 C ATOM 136 O GLU A 9 2.652 -2.258 -6.414 1.00 22.00 O ATOM 137 CB GLU A 9 3.733 -4.147 -8.225 1.00 34.31 C ATOM 138 CG GLU A 9 4.276 -5.344 -9.053 1.00 42.43 C ATOM 139 CD GLU A 9 3.831 -6.741 -8.557 1.00 23.05 C ATOM 140 OE1 GLU A 9 2.605 -7.022 -8.533 1.00 41.12 O ATOM 141 OE2 GLU A 9 4.701 -7.559 -8.179 1.00 14.14 O ATOM 0 H GLU A 9 2.550 -5.265 -6.083 1.00 54.32 H new ATOM 0 HA GLU A 9 5.259 -4.171 -6.703 1.00 44.34 H new ATOM 0 HB2 GLU A 9 2.644 -4.166 -8.266 1.00 34.31 H new ATOM 0 HB3 GLU A 9 4.054 -3.223 -8.705 1.00 34.31 H new ATOM 0 HG2 GLU A 9 3.956 -5.224 -10.088 1.00 42.43 H new ATOM 0 HG3 GLU A 9 5.365 -5.304 -9.049 1.00 42.43 H new ATOM 148 N ILE A 10 4.479 -2.299 -5.077 1.00 34.40 N ATOM 149 CA ILE A 10 4.114 -1.065 -4.362 1.00 3.22 C ATOM 150 C ILE A 10 4.803 0.089 -5.087 1.00 44.24 C ATOM 151 O ILE A 10 6.019 0.242 -5.011 1.00 33.13 O ATOM 152 CB ILE A 10 4.547 -1.107 -2.842 1.00 20.40 C ATOM 153 CG1 ILE A 10 3.945 -2.361 -2.120 1.00 51.53 C ATOM 154 CG2 ILE A 10 4.162 0.209 -2.108 1.00 63.32 C ATOM 155 CD1 ILE A 10 2.428 -2.443 -2.084 1.00 52.22 C ATOM 0 H ILE A 10 5.353 -2.723 -4.767 1.00 34.40 H new ATOM 0 HA ILE A 10 3.031 -0.944 -4.363 1.00 3.22 H new ATOM 0 HB ILE A 10 5.633 -1.194 -2.808 1.00 20.40 H new ATOM 0 HG12 ILE A 10 4.326 -3.256 -2.611 1.00 51.53 H new ATOM 0 HG13 ILE A 10 4.315 -2.378 -1.095 1.00 51.53 H new ATOM 0 HG21 ILE A 10 4.473 0.148 -1.065 1.00 63.32 H new ATOM 0 HG22 ILE A 10 4.660 1.052 -2.587 1.00 63.32 H new ATOM 0 HG23 ILE A 10 3.082 0.350 -2.157 1.00 63.32 H new ATOM 0 HD11 ILE A 10 2.125 -3.350 -1.561 1.00 52.22 H new ATOM 0 HD12 ILE A 10 2.029 -1.573 -1.563 1.00 52.22 H new ATOM 0 HD13 ILE A 10 2.041 -2.465 -3.103 1.00 52.22 H new ATOM 167 N LYS A 11 4.006 0.905 -5.763 1.00 22.52 N ATOM 168 CA LYS A 11 4.487 1.899 -6.724 1.00 62.12 C ATOM 169 C LYS A 11 4.356 3.289 -6.089 1.00 72.04 C ATOM 170 O LYS A 11 3.264 3.698 -5.699 1.00 55.04 O ATOM 171 CB LYS A 11 3.640 1.781 -8.044 1.00 12.04 C ATOM 172 CG LYS A 11 4.337 2.203 -9.364 1.00 15.21 C ATOM 173 CD LYS A 11 4.764 3.683 -9.413 1.00 60.10 C ATOM 174 CE LYS A 11 5.389 4.067 -10.763 1.00 0.40 C ATOM 175 NZ LYS A 11 6.523 3.179 -11.148 1.00 51.32 N ATOM 0 H LYS A 11 2.991 0.898 -5.661 1.00 22.52 H new ATOM 0 HA LYS A 11 5.534 1.732 -6.978 1.00 62.12 H new ATOM 0 HB2 LYS A 11 3.315 0.746 -8.148 1.00 12.04 H new ATOM 0 HB3 LYS A 11 2.741 2.387 -7.926 1.00 12.04 H new ATOM 0 HG2 LYS A 11 5.218 1.578 -9.511 1.00 15.21 H new ATOM 0 HG3 LYS A 11 3.662 2.004 -10.197 1.00 15.21 H new ATOM 0 HD2 LYS A 11 3.896 4.315 -9.224 1.00 60.10 H new ATOM 0 HD3 LYS A 11 5.480 3.878 -8.615 1.00 60.10 H new ATOM 0 HE2 LYS A 11 4.623 4.027 -11.537 1.00 0.40 H new ATOM 0 HE3 LYS A 11 5.741 5.098 -10.715 1.00 0.40 H new ATOM 0 HZ1 LYS A 11 7.003 3.571 -11.983 1.00 51.32 H new ATOM 0 HZ2 LYS A 11 7.198 3.116 -10.359 1.00 51.32 H new ATOM 0 HZ3 LYS A 11 6.161 2.230 -11.370 1.00 51.32 H new ATOM 189 N ILE A 12 5.481 3.987 -5.939 1.00 22.31 N ATOM 190 CA ILE A 12 5.501 5.416 -5.616 1.00 54.10 C ATOM 191 C ILE A 12 5.655 6.187 -6.930 1.00 13.41 C ATOM 192 O ILE A 12 6.595 5.933 -7.703 1.00 53.05 O ATOM 193 CB ILE A 12 6.668 5.791 -4.628 1.00 3.34 C ATOM 194 CG1 ILE A 12 6.482 5.084 -3.247 1.00 30.10 C ATOM 195 CG2 ILE A 12 6.795 7.326 -4.461 1.00 44.44 C ATOM 196 CD1 ILE A 12 5.209 5.440 -2.504 1.00 62.42 C ATOM 0 H ILE A 12 6.409 3.577 -6.038 1.00 22.31 H new ATOM 0 HA ILE A 12 4.572 5.678 -5.110 1.00 54.10 H new ATOM 0 HB ILE A 12 7.600 5.432 -5.064 1.00 3.34 H new ATOM 0 HG12 ILE A 12 6.502 4.006 -3.404 1.00 30.10 H new ATOM 0 HG13 ILE A 12 7.334 5.330 -2.613 1.00 30.10 H new ATOM 0 HG21 ILE A 12 7.610 7.551 -3.773 1.00 44.44 H new ATOM 0 HG22 ILE A 12 7.002 7.781 -5.429 1.00 44.44 H new ATOM 0 HG23 ILE A 12 5.863 7.727 -4.063 1.00 44.44 H new ATOM 0 HD11 ILE A 12 5.175 4.898 -1.559 1.00 62.42 H new ATOM 0 HD12 ILE A 12 5.190 6.512 -2.308 1.00 62.42 H new ATOM 0 HD13 ILE A 12 4.345 5.167 -3.110 1.00 62.42 H new ATOM 208 N ASP A 13 4.720 7.111 -7.181 1.00 51.23 N ATOM 209 CA ASP A 13 4.720 7.940 -8.385 1.00 64.52 C ATOM 210 C ASP A 13 5.562 9.196 -8.097 1.00 12.10 C ATOM 211 O ASP A 13 5.141 10.059 -7.320 1.00 11.21 O ATOM 212 CB ASP A 13 3.262 8.306 -8.779 1.00 1.03 C ATOM 213 CG ASP A 13 3.178 9.171 -10.051 1.00 32.43 C ATOM 214 OD1 ASP A 13 3.440 8.640 -11.146 1.00 42.24 O ATOM 215 OD2 ASP A 13 2.844 10.370 -9.968 1.00 22.43 O ATOM 0 H ASP A 13 3.941 7.303 -6.551 1.00 51.23 H new ATOM 0 HA ASP A 13 5.155 7.401 -9.227 1.00 64.52 H new ATOM 0 HB2 ASP A 13 2.693 7.389 -8.932 1.00 1.03 H new ATOM 0 HB3 ASP A 13 2.792 8.839 -7.953 1.00 1.03 H new ATOM 220 N CYS A 14 6.780 9.245 -8.677 1.00 13.52 N ATOM 221 CA CYS A 14 7.780 10.301 -8.397 1.00 55.21 C ATOM 222 C CYS A 14 8.859 10.332 -9.496 1.00 62.34 C ATOM 223 O CYS A 14 8.996 9.373 -10.259 1.00 11.15 O ATOM 224 CB CYS A 14 8.429 10.048 -7.017 1.00 51.41 C ATOM 225 SG CYS A 14 9.194 8.418 -6.852 1.00 31.34 S ATOM 0 H CYS A 14 7.100 8.553 -9.354 1.00 13.52 H new ATOM 0 HA CYS A 14 7.277 11.268 -8.386 1.00 55.21 H new ATOM 0 HB2 CYS A 14 9.185 10.813 -6.837 1.00 51.41 H new ATOM 0 HB3 CYS A 14 7.670 10.162 -6.243 1.00 51.41 H new ATOM 0 HG CYS A 14 9.712 8.300 -5.665 1.00 31.34 H new ATOM 313 N THR A 21 9.506 4.374 -8.002 1.00 53.44 N ATOM 314 CA THR A 21 10.088 3.227 -7.285 1.00 14.35 C ATOM 315 C THR A 21 9.020 2.196 -6.876 1.00 4.21 C ATOM 316 O THR A 21 8.049 2.532 -6.201 1.00 14.21 O ATOM 317 CB THR A 21 10.892 3.745 -6.030 1.00 15.33 C ATOM 318 OG1 THR A 21 10.250 4.911 -5.473 1.00 40.30 O ATOM 319 CG2 THR A 21 12.350 4.096 -6.377 1.00 64.42 C ATOM 0 HA THR A 21 10.770 2.712 -7.961 1.00 14.35 H new ATOM 0 HB THR A 21 10.900 2.934 -5.302 1.00 15.33 H new ATOM 0 HG1 THR A 21 9.671 5.320 -6.149 1.00 40.30 H new ATOM 0 HG21 THR A 21 12.863 4.448 -5.482 1.00 64.42 H new ATOM 0 HG22 THR A 21 12.856 3.210 -6.761 1.00 64.42 H new ATOM 0 HG23 THR A 21 12.365 4.879 -7.135 1.00 64.42 H new ATOM 327 N THR A 22 9.211 0.942 -7.338 1.00 52.54 N ATOM 328 CA THR A 22 8.424 -0.223 -6.897 1.00 70.43 C ATOM 329 C THR A 22 9.190 -0.973 -5.789 1.00 44.43 C ATOM 330 O THR A 22 10.401 -1.182 -5.906 1.00 34.21 O ATOM 331 CB THR A 22 8.116 -1.179 -8.094 1.00 54.13 C ATOM 332 OG1 THR A 22 9.329 -1.447 -8.821 1.00 72.34 O ATOM 333 CG2 THR A 22 7.061 -0.580 -9.044 1.00 41.43 C ATOM 0 H THR A 22 9.921 0.711 -8.032 1.00 52.54 H new ATOM 0 HA THR A 22 7.471 0.128 -6.501 1.00 70.43 H new ATOM 0 HB THR A 22 7.711 -2.107 -7.689 1.00 54.13 H new ATOM 0 HG1 THR A 22 9.135 -2.048 -9.570 1.00 72.34 H new ATOM 0 HG21 THR A 22 6.874 -1.274 -9.864 1.00 41.43 H new ATOM 0 HG22 THR A 22 6.135 -0.407 -8.496 1.00 41.43 H new ATOM 0 HG23 THR A 22 7.427 0.365 -9.445 1.00 41.43 H new ATOM 341 N TYR A 23 8.478 -1.364 -4.717 1.00 42.22 N ATOM 342 CA TYR A 23 9.087 -1.935 -3.495 1.00 34.20 C ATOM 343 C TYR A 23 8.826 -3.452 -3.409 1.00 63.42 C ATOM 344 O TYR A 23 7.686 -3.903 -3.600 1.00 14.32 O ATOM 345 CB TYR A 23 8.504 -1.221 -2.240 1.00 54.22 C ATOM 346 CG TYR A 23 8.880 0.262 -2.088 1.00 22.15 C ATOM 347 CD1 TYR A 23 8.497 1.216 -3.037 1.00 50.43 C ATOM 348 CD2 TYR A 23 9.613 0.713 -0.988 1.00 23.20 C ATOM 349 CE1 TYR A 23 8.825 2.547 -2.891 1.00 54.51 C ATOM 350 CE2 TYR A 23 9.941 2.046 -0.843 1.00 60.34 C ATOM 351 CZ TYR A 23 9.548 2.960 -1.798 1.00 3.30 C ATOM 352 OH TYR A 23 9.857 4.300 -1.644 1.00 34.12 O ATOM 0 H TYR A 23 7.461 -1.294 -4.670 1.00 42.22 H new ATOM 0 HA TYR A 23 10.165 -1.777 -3.536 1.00 34.20 H new ATOM 0 HB2 TYR A 23 7.417 -1.301 -2.270 1.00 54.22 H new ATOM 0 HB3 TYR A 23 8.839 -1.756 -1.351 1.00 54.22 H new ATOM 0 HD1 TYR A 23 7.932 0.903 -3.903 1.00 50.43 H new ATOM 0 HD2 TYR A 23 9.929 0.005 -0.236 1.00 23.20 H new ATOM 0 HE1 TYR A 23 8.514 3.265 -3.635 1.00 54.51 H new ATOM 0 HE2 TYR A 23 10.505 2.373 0.018 1.00 60.34 H new ATOM 0 HH TYR A 23 10.371 4.424 -0.819 1.00 34.12 H new ATOM 362 N ASP A 24 9.894 -4.221 -3.099 1.00 34.32 N ATOM 363 CA ASP A 24 9.829 -5.683 -2.897 1.00 4.32 C ATOM 364 C ASP A 24 9.794 -5.996 -1.392 1.00 22.22 C ATOM 365 O ASP A 24 10.820 -5.932 -0.703 1.00 73.43 O ATOM 366 CB ASP A 24 11.040 -6.398 -3.554 1.00 40.32 C ATOM 367 CG ASP A 24 11.105 -6.204 -5.078 1.00 13.50 C ATOM 368 OD1 ASP A 24 10.325 -6.853 -5.813 1.00 70.52 O ATOM 369 OD2 ASP A 24 11.932 -5.402 -5.555 1.00 4.53 O ATOM 0 H ASP A 24 10.833 -3.839 -2.981 1.00 34.32 H new ATOM 0 HA ASP A 24 8.920 -6.052 -3.372 1.00 4.32 H new ATOM 0 HB2 ASP A 24 11.961 -6.023 -3.107 1.00 40.32 H new ATOM 0 HB3 ASP A 24 10.988 -7.464 -3.332 1.00 40.32 H new ATOM 374 N LEU A 25 8.598 -6.293 -0.886 1.00 75.52 N ATOM 375 CA LEU A 25 8.371 -6.724 0.513 1.00 42.05 C ATOM 376 C LEU A 25 7.577 -8.039 0.521 1.00 10.13 C ATOM 377 O LEU A 25 7.783 -8.900 1.387 1.00 45.04 O ATOM 378 CB LEU A 25 7.618 -5.628 1.321 1.00 23.34 C ATOM 379 CG LEU A 25 6.381 -4.956 0.621 1.00 74.21 C ATOM 380 CD1 LEU A 25 5.189 -4.790 1.573 1.00 35.42 C ATOM 381 CD2 LEU A 25 6.771 -3.602 -0.018 1.00 43.42 C ATOM 0 H LEU A 25 7.740 -6.244 -1.436 1.00 75.52 H new ATOM 0 HA LEU A 25 9.337 -6.883 0.992 1.00 42.05 H new ATOM 0 HB2 LEU A 25 7.280 -6.069 2.258 1.00 23.34 H new ATOM 0 HB3 LEU A 25 8.331 -4.844 1.577 1.00 23.34 H new ATOM 0 HG LEU A 25 6.062 -5.632 -0.173 1.00 74.21 H new ATOM 0 HD11 LEU A 25 4.361 -4.321 1.041 1.00 35.42 H new ATOM 0 HD12 LEU A 25 4.877 -5.768 1.940 1.00 35.42 H new ATOM 0 HD13 LEU A 25 5.481 -4.163 2.415 1.00 35.42 H new ATOM 0 HD21 LEU A 25 5.897 -3.159 -0.495 1.00 43.42 H new ATOM 0 HD22 LEU A 25 7.143 -2.929 0.754 1.00 43.42 H new ATOM 0 HD23 LEU A 25 7.549 -3.763 -0.764 1.00 43.42 H new ATOM 393 N TYR A 26 6.660 -8.147 -0.460 1.00 73.44 N ATOM 394 CA TYR A 26 5.875 -9.358 -0.757 1.00 63.43 C ATOM 395 C TYR A 26 4.886 -9.725 0.371 1.00 64.11 C ATOM 396 O TYR A 26 4.720 -8.994 1.354 1.00 64.40 O ATOM 397 CB TYR A 26 6.798 -10.567 -1.148 1.00 50.24 C ATOM 398 CG TYR A 26 7.442 -10.462 -2.549 1.00 35.22 C ATOM 399 CD1 TYR A 26 7.934 -9.240 -3.032 1.00 61.23 C ATOM 400 CD2 TYR A 26 7.564 -11.578 -3.390 1.00 10.14 C ATOM 401 CE1 TYR A 26 8.497 -9.133 -4.279 1.00 51.41 C ATOM 402 CE2 TYR A 26 8.134 -11.464 -4.649 1.00 4.31 C ATOM 403 CZ TYR A 26 8.604 -10.242 -5.080 1.00 72.15 C ATOM 404 OH TYR A 26 9.160 -10.119 -6.333 1.00 43.14 O ATOM 0 H TYR A 26 6.440 -7.371 -1.085 1.00 73.44 H new ATOM 0 HA TYR A 26 5.263 -9.122 -1.627 1.00 63.43 H new ATOM 0 HB2 TYR A 26 7.590 -10.657 -0.405 1.00 50.24 H new ATOM 0 HB3 TYR A 26 6.211 -11.484 -1.101 1.00 50.24 H new ATOM 0 HD1 TYR A 26 7.868 -8.362 -2.407 1.00 61.23 H new ATOM 0 HD2 TYR A 26 7.209 -12.540 -3.052 1.00 10.14 H new ATOM 0 HE1 TYR A 26 8.856 -8.177 -4.630 1.00 51.41 H new ATOM 0 HE2 TYR A 26 8.209 -12.330 -5.290 1.00 4.31 H new ATOM 0 HH TYR A 26 9.366 -11.009 -6.688 1.00 43.14 H new ATOM 414 N PHE A 27 4.215 -10.861 0.168 1.00 5.35 N ATOM 415 CA PHE A 27 3.158 -11.364 1.038 1.00 33.42 C ATOM 416 C PHE A 27 3.159 -12.899 0.957 1.00 74.43 C ATOM 417 O PHE A 27 3.621 -13.484 -0.034 1.00 13.41 O ATOM 418 CB PHE A 27 1.796 -10.735 0.598 1.00 24.34 C ATOM 419 CG PHE A 27 0.536 -11.343 1.225 1.00 10.21 C ATOM 420 CD1 PHE A 27 0.175 -11.054 2.536 1.00 14.14 C ATOM 421 CD2 PHE A 27 -0.287 -12.211 0.499 1.00 61.01 C ATOM 422 CE1 PHE A 27 -0.958 -11.611 3.101 1.00 43.12 C ATOM 423 CE2 PHE A 27 -1.415 -12.768 1.065 1.00 42.33 C ATOM 424 CZ PHE A 27 -1.751 -12.465 2.366 1.00 15.24 C ATOM 0 H PHE A 27 4.400 -11.471 -0.629 1.00 5.35 H new ATOM 0 HA PHE A 27 3.321 -11.083 2.078 1.00 33.42 H new ATOM 0 HB2 PHE A 27 1.817 -9.671 0.835 1.00 24.34 H new ATOM 0 HB3 PHE A 27 1.714 -10.819 -0.486 1.00 24.34 H new ATOM 0 HD1 PHE A 27 0.788 -10.385 3.122 1.00 14.14 H new ATOM 0 HD2 PHE A 27 -0.034 -12.449 -0.524 1.00 61.01 H new ATOM 0 HE1 PHE A 27 -1.222 -11.376 4.122 1.00 43.12 H new ATOM 0 HE2 PHE A 27 -2.034 -13.440 0.489 1.00 42.33 H new ATOM 0 HZ PHE A 27 -2.636 -12.897 2.810 1.00 15.24 H new ATOM 434 N SER A 28 2.661 -13.523 2.021 1.00 42.15 N ATOM 435 CA SER A 28 2.553 -14.984 2.146 1.00 41.44 C ATOM 436 C SER A 28 1.468 -15.324 3.178 1.00 70.51 C ATOM 437 O SER A 28 0.782 -16.342 3.057 1.00 40.22 O ATOM 438 CB SER A 28 3.917 -15.592 2.564 1.00 23.25 C ATOM 439 OG SER A 28 3.863 -17.008 2.661 1.00 35.31 O ATOM 0 H SER A 28 2.313 -13.023 2.839 1.00 42.15 H new ATOM 0 HA SER A 28 2.276 -15.412 1.182 1.00 41.44 H new ATOM 0 HB2 SER A 28 4.678 -15.308 1.838 1.00 23.25 H new ATOM 0 HB3 SER A 28 4.221 -15.175 3.524 1.00 23.25 H new ATOM 0 HG SER A 28 4.742 -17.352 2.925 1.00 35.31 H new ATOM 445 N LYS A 29 1.318 -14.429 4.177 1.00 21.44 N ATOM 446 CA LYS A 29 0.421 -14.610 5.329 1.00 41.33 C ATOM 447 C LYS A 29 0.275 -13.245 6.058 1.00 43.00 C ATOM 448 O LYS A 29 1.099 -12.342 5.860 1.00 15.23 O ATOM 449 CB LYS A 29 1.003 -15.753 6.221 1.00 71.44 C ATOM 450 CG LYS A 29 0.318 -16.012 7.580 1.00 13.41 C ATOM 451 CD LYS A 29 0.775 -17.345 8.232 1.00 24.41 C ATOM 452 CE LYS A 29 2.311 -17.533 8.271 1.00 73.55 C ATOM 453 NZ LYS A 29 3.001 -16.496 9.082 1.00 34.33 N ATOM 0 H LYS A 29 1.828 -13.546 4.202 1.00 21.44 H new ATOM 0 HA LYS A 29 -0.584 -14.915 5.038 1.00 41.33 H new ATOM 0 HB2 LYS A 29 0.971 -16.678 5.646 1.00 71.44 H new ATOM 0 HB3 LYS A 29 2.053 -15.531 6.410 1.00 71.44 H new ATOM 0 HG2 LYS A 29 0.537 -15.186 8.257 1.00 13.41 H new ATOM 0 HG3 LYS A 29 -0.763 -16.031 7.441 1.00 13.41 H new ATOM 0 HD2 LYS A 29 0.388 -17.391 9.250 1.00 24.41 H new ATOM 0 HD3 LYS A 29 0.331 -18.176 7.684 1.00 24.41 H new ATOM 0 HE2 LYS A 29 2.541 -18.518 8.678 1.00 73.55 H new ATOM 0 HE3 LYS A 29 2.701 -17.510 7.253 1.00 73.55 H new ATOM 0 HZ1 LYS A 29 3.950 -16.833 9.342 1.00 34.33 H new ATOM 0 HZ2 LYS A 29 3.085 -15.620 8.527 1.00 34.33 H new ATOM 0 HZ3 LYS A 29 2.452 -16.308 9.945 1.00 34.33 H new ATOM 467 N ALA A 30 -0.795 -13.091 6.867 1.00 35.53 N ATOM 468 CA ALA A 30 -1.212 -11.788 7.453 1.00 50.44 C ATOM 469 C ALA A 30 -0.188 -11.171 8.449 1.00 50.13 C ATOM 470 O ALA A 30 -0.180 -9.950 8.639 1.00 51.53 O ATOM 471 CB ALA A 30 -2.595 -11.944 8.120 1.00 5.30 C ATOM 0 H ALA A 30 -1.400 -13.867 7.136 1.00 35.53 H new ATOM 0 HA ALA A 30 -1.263 -11.081 6.625 1.00 50.44 H new ATOM 0 HB1 ALA A 30 -2.901 -10.990 8.550 1.00 5.30 H new ATOM 0 HB2 ALA A 30 -3.325 -12.257 7.374 1.00 5.30 H new ATOM 0 HB3 ALA A 30 -2.536 -12.695 8.908 1.00 5.30 H new ATOM 477 N GLU A 31 0.671 -12.012 9.057 1.00 42.22 N ATOM 478 CA GLU A 31 1.623 -11.582 10.111 1.00 71.50 C ATOM 479 C GLU A 31 2.786 -10.763 9.512 1.00 74.11 C ATOM 480 O GLU A 31 3.099 -9.665 9.992 1.00 41.34 O ATOM 481 CB GLU A 31 2.147 -12.825 10.871 1.00 21.02 C ATOM 482 CG GLU A 31 1.036 -13.667 11.522 1.00 33.02 C ATOM 483 CD GLU A 31 1.568 -14.917 12.229 1.00 12.11 C ATOM 484 OE1 GLU A 31 1.934 -14.840 13.420 1.00 21.11 O ATOM 485 OE2 GLU A 31 1.633 -15.988 11.585 1.00 41.42 O ATOM 0 H GLU A 31 0.728 -13.006 8.836 1.00 42.22 H new ATOM 0 HA GLU A 31 1.102 -10.932 10.814 1.00 71.50 H new ATOM 0 HB2 GLU A 31 2.708 -13.453 10.179 1.00 21.02 H new ATOM 0 HB3 GLU A 31 2.844 -12.500 11.643 1.00 21.02 H new ATOM 0 HG2 GLU A 31 0.496 -13.052 12.242 1.00 33.02 H new ATOM 0 HG3 GLU A 31 0.319 -13.966 10.757 1.00 33.02 H new ATOM 492 N GLU A 32 3.403 -11.312 8.443 1.00 53.13 N ATOM 493 CA GLU A 32 4.442 -10.608 7.660 1.00 51.42 C ATOM 494 C GLU A 32 3.834 -9.361 7.019 1.00 4.24 C ATOM 495 O GLU A 32 4.428 -8.290 7.087 1.00 73.21 O ATOM 496 CB GLU A 32 5.148 -11.509 6.562 1.00 23.24 C ATOM 497 CG GLU A 32 4.299 -12.638 5.914 1.00 51.13 C ATOM 498 CD GLU A 32 4.281 -13.956 6.726 1.00 73.53 C ATOM 499 OE1 GLU A 32 3.448 -14.095 7.644 1.00 3.44 O ATOM 500 OE2 GLU A 32 5.108 -14.850 6.458 1.00 1.14 O ATOM 0 H GLU A 32 3.196 -12.250 8.100 1.00 53.13 H new ATOM 0 HA GLU A 32 5.230 -10.334 8.361 1.00 51.42 H new ATOM 0 HB2 GLU A 32 5.503 -10.855 5.766 1.00 23.24 H new ATOM 0 HB3 GLU A 32 6.028 -11.966 7.015 1.00 23.24 H new ATOM 0 HG2 GLU A 32 3.275 -12.284 5.792 1.00 51.13 H new ATOM 0 HG3 GLU A 32 4.687 -12.843 4.916 1.00 51.13 H new ATOM 507 N ALA A 33 2.616 -9.508 6.466 1.00 13.52 N ATOM 508 CA ALA A 33 1.896 -8.404 5.814 1.00 53.34 C ATOM 509 C ALA A 33 1.760 -7.189 6.749 1.00 21.54 C ATOM 510 O ALA A 33 2.078 -6.073 6.358 1.00 34.34 O ATOM 511 CB ALA A 33 0.517 -8.881 5.349 1.00 74.14 C ATOM 0 H ALA A 33 2.107 -10.392 6.460 1.00 13.52 H new ATOM 0 HA ALA A 33 2.475 -8.087 4.947 1.00 53.34 H new ATOM 0 HB1 ALA A 33 -0.010 -8.057 4.867 1.00 74.14 H new ATOM 0 HB2 ALA A 33 0.635 -9.700 4.640 1.00 74.14 H new ATOM 0 HB3 ALA A 33 -0.058 -9.226 6.209 1.00 74.14 H new ATOM 517 N LYS A 34 1.354 -7.447 8.006 1.00 32.12 N ATOM 518 CA LYS A 34 1.088 -6.395 9.009 1.00 54.33 C ATOM 519 C LYS A 34 2.411 -5.699 9.436 1.00 61.22 C ATOM 520 O LYS A 34 2.430 -4.490 9.680 1.00 73.13 O ATOM 521 CB LYS A 34 0.320 -7.027 10.218 1.00 13.31 C ATOM 522 CG LYS A 34 -0.429 -6.036 11.169 1.00 32.12 C ATOM 523 CD LYS A 34 0.472 -5.302 12.194 1.00 23.13 C ATOM 524 CE LYS A 34 1.197 -6.256 13.164 1.00 65.45 C ATOM 525 NZ LYS A 34 0.246 -7.017 14.019 1.00 45.14 N ATOM 0 H LYS A 34 1.200 -8.392 8.357 1.00 32.12 H new ATOM 0 HA LYS A 34 0.458 -5.616 8.580 1.00 54.33 H new ATOM 0 HB2 LYS A 34 -0.407 -7.737 9.825 1.00 13.31 H new ATOM 0 HB3 LYS A 34 1.033 -7.597 10.814 1.00 13.31 H new ATOM 0 HG2 LYS A 34 -0.942 -5.291 10.561 1.00 32.12 H new ATOM 0 HG3 LYS A 34 -1.196 -6.588 11.712 1.00 32.12 H new ATOM 0 HD2 LYS A 34 1.213 -4.710 11.657 1.00 23.13 H new ATOM 0 HD3 LYS A 34 -0.138 -4.605 12.769 1.00 23.13 H new ATOM 0 HE2 LYS A 34 1.810 -6.955 12.594 1.00 65.45 H new ATOM 0 HE3 LYS A 34 1.874 -5.682 13.797 1.00 65.45 H new ATOM 0 HZ1 LYS A 34 0.778 -7.620 14.678 1.00 45.14 H new ATOM 0 HZ2 LYS A 34 -0.345 -6.352 14.558 1.00 45.14 H new ATOM 0 HZ3 LYS A 34 -0.361 -7.611 13.419 1.00 45.14 H new ATOM 539 N GLU A 35 3.512 -6.473 9.512 1.00 24.13 N ATOM 540 CA GLU A 35 4.864 -5.937 9.816 1.00 15.30 C ATOM 541 C GLU A 35 5.322 -4.975 8.700 1.00 24.21 C ATOM 542 O GLU A 35 5.722 -3.832 8.958 1.00 15.24 O ATOM 543 CB GLU A 35 5.873 -7.105 9.952 1.00 64.01 C ATOM 544 CG GLU A 35 7.350 -6.672 10.139 1.00 32.30 C ATOM 545 CD GLU A 35 8.342 -7.841 10.048 1.00 35.13 C ATOM 546 OE1 GLU A 35 8.557 -8.354 8.929 1.00 0.23 O ATOM 547 OE2 GLU A 35 8.915 -8.249 11.085 1.00 20.50 O ATOM 0 H GLU A 35 3.495 -7.482 9.366 1.00 24.13 H new ATOM 0 HA GLU A 35 4.821 -5.387 10.756 1.00 15.30 H new ATOM 0 HB2 GLU A 35 5.580 -7.722 10.801 1.00 64.01 H new ATOM 0 HB3 GLU A 35 5.803 -7.732 9.063 1.00 64.01 H new ATOM 0 HG2 GLU A 35 7.603 -5.930 9.381 1.00 32.30 H new ATOM 0 HG3 GLU A 35 7.459 -6.187 11.109 1.00 32.30 H new ATOM 554 N LEU A 36 5.222 -5.473 7.458 1.00 52.30 N ATOM 555 CA LEU A 36 5.618 -4.752 6.241 1.00 53.35 C ATOM 556 C LEU A 36 4.713 -3.531 5.984 1.00 62.10 C ATOM 557 O LEU A 36 5.150 -2.561 5.369 1.00 21.12 O ATOM 558 CB LEU A 36 5.645 -5.718 5.015 1.00 34.34 C ATOM 559 CG LEU A 36 6.961 -6.554 4.800 1.00 33.50 C ATOM 560 CD1 LEU A 36 8.219 -5.658 4.880 1.00 32.41 C ATOM 561 CD2 LEU A 36 7.074 -7.778 5.735 1.00 14.32 C ATOM 0 H LEU A 36 4.856 -6.406 7.269 1.00 52.30 H new ATOM 0 HA LEU A 36 6.628 -4.370 6.390 1.00 53.35 H new ATOM 0 HB2 LEU A 36 4.812 -6.414 5.113 1.00 34.34 H new ATOM 0 HB3 LEU A 36 5.465 -5.130 4.115 1.00 34.34 H new ATOM 0 HG LEU A 36 6.897 -6.959 3.790 1.00 33.50 H new ATOM 0 HD11 LEU A 36 9.110 -6.267 4.727 1.00 32.41 H new ATOM 0 HD12 LEU A 36 8.168 -4.890 4.109 1.00 32.41 H new ATOM 0 HD13 LEU A 36 8.267 -5.185 5.861 1.00 32.41 H new ATOM 0 HD21 LEU A 36 8.005 -8.307 5.531 1.00 14.32 H new ATOM 0 HD22 LEU A 36 7.066 -7.445 6.773 1.00 14.32 H new ATOM 0 HD23 LEU A 36 6.231 -8.447 5.562 1.00 14.32 H new ATOM 573 N LEU A 37 3.451 -3.620 6.435 1.00 12.02 N ATOM 574 CA LEU A 37 2.461 -2.516 6.399 1.00 34.21 C ATOM 575 C LEU A 37 3.028 -1.250 7.052 1.00 70.25 C ATOM 576 O LEU A 37 2.898 -0.149 6.504 1.00 13.03 O ATOM 577 CB LEU A 37 1.148 -2.999 7.104 1.00 44.21 C ATOM 578 CG LEU A 37 0.017 -1.951 7.455 1.00 72.14 C ATOM 579 CD1 LEU A 37 -1.368 -2.631 7.478 1.00 32.54 C ATOM 580 CD2 LEU A 37 0.269 -1.253 8.824 1.00 62.22 C ATOM 0 H LEU A 37 3.077 -4.476 6.844 1.00 12.02 H new ATOM 0 HA LEU A 37 2.232 -2.256 5.366 1.00 34.21 H new ATOM 0 HB2 LEU A 37 0.699 -3.762 6.469 1.00 44.21 H new ATOM 0 HB3 LEU A 37 1.438 -3.488 8.034 1.00 44.21 H new ATOM 0 HG LEU A 37 0.041 -1.190 6.675 1.00 72.14 H new ATOM 0 HD11 LEU A 37 -2.132 -1.893 7.721 1.00 32.54 H new ATOM 0 HD12 LEU A 37 -1.578 -3.061 6.499 1.00 32.54 H new ATOM 0 HD13 LEU A 37 -1.373 -3.420 8.230 1.00 32.54 H new ATOM 0 HD21 LEU A 37 -0.533 -0.542 9.023 1.00 62.22 H new ATOM 0 HD22 LEU A 37 0.294 -2.002 9.615 1.00 62.22 H new ATOM 0 HD23 LEU A 37 1.222 -0.725 8.793 1.00 62.22 H new ATOM 592 N LYS A 38 3.645 -1.440 8.241 1.00 24.12 N ATOM 593 CA LYS A 38 4.280 -0.360 9.024 1.00 13.34 C ATOM 594 C LYS A 38 5.400 0.281 8.191 1.00 34.20 C ATOM 595 O LYS A 38 5.490 1.502 8.101 1.00 3.22 O ATOM 596 CB LYS A 38 4.813 -0.956 10.374 1.00 21.54 C ATOM 597 CG LYS A 38 5.387 0.037 11.440 1.00 33.12 C ATOM 598 CD LYS A 38 6.842 0.495 11.163 1.00 51.53 C ATOM 599 CE LYS A 38 7.444 1.337 12.306 1.00 23.34 C ATOM 600 NZ LYS A 38 6.643 2.554 12.610 1.00 12.21 N ATOM 0 H LYS A 38 3.716 -2.355 8.686 1.00 24.12 H new ATOM 0 HA LYS A 38 3.559 0.422 9.263 1.00 13.34 H new ATOM 0 HB2 LYS A 38 3.998 -1.511 10.839 1.00 21.54 H new ATOM 0 HB3 LYS A 38 5.594 -1.678 10.135 1.00 21.54 H new ATOM 0 HG2 LYS A 38 4.744 0.916 11.485 1.00 33.12 H new ATOM 0 HG3 LYS A 38 5.348 -0.437 12.421 1.00 33.12 H new ATOM 0 HD2 LYS A 38 7.467 -0.383 11.000 1.00 51.53 H new ATOM 0 HD3 LYS A 38 6.863 1.077 10.242 1.00 51.53 H new ATOM 0 HE2 LYS A 38 7.518 0.723 13.203 1.00 23.34 H new ATOM 0 HE3 LYS A 38 8.458 1.633 12.038 1.00 23.34 H new ATOM 0 HZ1 LYS A 38 7.129 3.116 13.338 1.00 12.21 H new ATOM 0 HZ2 LYS A 38 6.536 3.124 11.747 1.00 12.21 H new ATOM 0 HZ3 LYS A 38 5.704 2.274 12.958 1.00 12.21 H new ATOM 614 N LYS A 39 6.212 -0.582 7.548 1.00 54.31 N ATOM 615 CA LYS A 39 7.403 -0.168 6.793 1.00 21.11 C ATOM 616 C LYS A 39 7.023 0.601 5.509 1.00 12.34 C ATOM 617 O LYS A 39 7.691 1.561 5.156 1.00 13.55 O ATOM 618 CB LYS A 39 8.288 -1.403 6.467 1.00 2.13 C ATOM 619 CG LYS A 39 9.725 -1.062 6.019 1.00 5.05 C ATOM 620 CD LYS A 39 10.606 -2.327 5.872 1.00 45.52 C ATOM 621 CE LYS A 39 12.084 -2.004 5.613 1.00 13.02 C ATOM 622 NZ LYS A 39 12.921 -3.235 5.555 1.00 33.24 N ATOM 0 H LYS A 39 6.056 -1.590 7.540 1.00 54.31 H new ATOM 0 HA LYS A 39 7.979 0.516 7.417 1.00 21.11 H new ATOM 0 HB2 LYS A 39 8.338 -2.041 7.349 1.00 2.13 H new ATOM 0 HB3 LYS A 39 7.804 -1.983 5.681 1.00 2.13 H new ATOM 0 HG2 LYS A 39 9.691 -0.532 5.067 1.00 5.05 H new ATOM 0 HG3 LYS A 39 10.179 -0.387 6.744 1.00 5.05 H new ATOM 0 HD2 LYS A 39 10.525 -2.927 6.779 1.00 45.52 H new ATOM 0 HD3 LYS A 39 10.224 -2.935 5.052 1.00 45.52 H new ATOM 0 HE2 LYS A 39 12.177 -1.458 4.674 1.00 13.02 H new ATOM 0 HE3 LYS A 39 12.456 -1.349 6.401 1.00 13.02 H new ATOM 0 HZ1 LYS A 39 13.912 -2.973 5.379 1.00 33.24 H new ATOM 0 HZ2 LYS A 39 12.853 -3.744 6.459 1.00 33.24 H new ATOM 0 HZ3 LYS A 39 12.583 -3.849 4.786 1.00 33.24 H new ATOM 636 N VAL A 40 5.926 0.184 4.840 1.00 31.15 N ATOM 637 CA VAL A 40 5.402 0.874 3.633 1.00 64.25 C ATOM 638 C VAL A 40 4.780 2.226 4.024 1.00 51.24 C ATOM 639 O VAL A 40 4.852 3.190 3.262 1.00 65.31 O ATOM 640 CB VAL A 40 4.354 -0.013 2.854 1.00 64.22 C ATOM 641 CG1 VAL A 40 3.749 0.729 1.633 1.00 54.20 C ATOM 642 CG2 VAL A 40 4.995 -1.337 2.403 1.00 30.54 C ATOM 0 H VAL A 40 5.380 -0.633 5.115 1.00 31.15 H new ATOM 0 HA VAL A 40 6.242 1.047 2.960 1.00 64.25 H new ATOM 0 HB VAL A 40 3.539 -0.225 3.546 1.00 64.22 H new ATOM 0 HG11 VAL A 40 3.034 0.078 1.129 1.00 54.20 H new ATOM 0 HG12 VAL A 40 3.242 1.633 1.971 1.00 54.20 H new ATOM 0 HG13 VAL A 40 4.546 0.998 0.939 1.00 54.20 H new ATOM 0 HG21 VAL A 40 4.257 -1.935 1.868 1.00 30.54 H new ATOM 0 HG22 VAL A 40 5.838 -1.127 1.745 1.00 30.54 H new ATOM 0 HG23 VAL A 40 5.344 -1.888 3.276 1.00 30.54 H new ATOM 652 N ALA A 41 4.181 2.280 5.222 1.00 23.41 N ATOM 653 CA ALA A 41 3.650 3.526 5.793 1.00 45.43 C ATOM 654 C ALA A 41 4.784 4.526 6.084 1.00 61.23 C ATOM 655 O ALA A 41 4.567 5.734 6.031 1.00 44.32 O ATOM 656 CB ALA A 41 2.831 3.229 7.047 1.00 24.05 C ATOM 0 H ALA A 41 4.051 1.464 5.821 1.00 23.41 H new ATOM 0 HA ALA A 41 2.989 3.989 5.060 1.00 45.43 H new ATOM 0 HB1 ALA A 41 2.444 4.161 7.458 1.00 24.05 H new ATOM 0 HB2 ALA A 41 1.999 2.573 6.791 1.00 24.05 H new ATOM 0 HB3 ALA A 41 3.464 2.740 7.788 1.00 24.05 H new ATOM 662 N GLU A 42 5.986 4.000 6.415 1.00 33.23 N ATOM 663 CA GLU A 42 7.206 4.817 6.556 1.00 32.14 C ATOM 664 C GLU A 42 7.683 5.310 5.175 1.00 12.52 C ATOM 665 O GLU A 42 7.885 6.501 4.969 1.00 34.05 O ATOM 666 CB GLU A 42 8.363 4.007 7.211 1.00 50.24 C ATOM 667 CG GLU A 42 8.040 3.329 8.551 1.00 5.14 C ATOM 668 CD GLU A 42 7.523 4.283 9.638 1.00 75.31 C ATOM 669 OE1 GLU A 42 8.280 5.182 10.065 1.00 32.33 O ATOM 670 OE2 GLU A 42 6.367 4.125 10.088 1.00 22.44 O ATOM 0 H GLU A 42 6.133 3.006 6.590 1.00 33.23 H new ATOM 0 HA GLU A 42 6.953 5.663 7.195 1.00 32.14 H new ATOM 0 HB2 GLU A 42 8.686 3.240 6.507 1.00 50.24 H new ATOM 0 HB3 GLU A 42 9.209 4.678 7.361 1.00 50.24 H new ATOM 0 HG2 GLU A 42 7.293 2.553 8.381 1.00 5.14 H new ATOM 0 HG3 GLU A 42 8.938 2.832 8.918 1.00 5.14 H new ATOM 677 N LYS A 43 7.830 4.346 4.238 1.00 11.03 N ATOM 678 CA LYS A 43 8.528 4.542 2.950 1.00 34.42 C ATOM 679 C LYS A 43 7.715 5.392 1.952 1.00 10.55 C ATOM 680 O LYS A 43 8.295 6.137 1.150 1.00 34.23 O ATOM 681 CB LYS A 43 8.897 3.162 2.337 1.00 22.05 C ATOM 682 CG LYS A 43 9.960 2.356 3.135 1.00 13.30 C ATOM 683 CD LYS A 43 11.314 3.099 3.273 1.00 21.32 C ATOM 684 CE LYS A 43 12.391 2.262 3.982 1.00 51.34 C ATOM 685 NZ LYS A 43 13.681 3.007 4.072 1.00 65.03 N ATOM 0 H LYS A 43 7.463 3.402 4.357 1.00 11.03 H new ATOM 0 HA LYS A 43 9.440 5.104 3.153 1.00 34.42 H new ATOM 0 HB2 LYS A 43 7.991 2.562 2.258 1.00 22.05 H new ATOM 0 HB3 LYS A 43 9.266 3.318 1.323 1.00 22.05 H new ATOM 0 HG2 LYS A 43 9.570 2.138 4.129 1.00 13.30 H new ATOM 0 HG3 LYS A 43 10.127 1.399 2.641 1.00 13.30 H new ATOM 0 HD2 LYS A 43 11.672 3.377 2.282 1.00 21.32 H new ATOM 0 HD3 LYS A 43 11.159 4.025 3.827 1.00 21.32 H new ATOM 0 HE2 LYS A 43 12.050 1.998 4.983 1.00 51.34 H new ATOM 0 HE3 LYS A 43 12.544 1.328 3.441 1.00 51.34 H new ATOM 0 HZ1 LYS A 43 14.389 2.418 4.555 1.00 65.03 H new ATOM 0 HZ2 LYS A 43 14.017 3.237 3.115 1.00 65.03 H new ATOM 0 HZ3 LYS A 43 13.538 3.886 4.609 1.00 65.03 H new ATOM 699 N ALA A 44 6.379 5.272 2.005 1.00 63.23 N ATOM 700 CA ALA A 44 5.468 6.090 1.188 1.00 63.03 C ATOM 701 C ALA A 44 5.429 7.513 1.742 1.00 45.22 C ATOM 702 O ALA A 44 5.499 8.484 0.980 1.00 65.13 O ATOM 703 CB ALA A 44 4.061 5.477 1.151 1.00 71.35 C ATOM 0 H ALA A 44 5.901 4.607 2.613 1.00 63.23 H new ATOM 0 HA ALA A 44 5.839 6.117 0.163 1.00 63.03 H new ATOM 0 HB1 ALA A 44 3.408 6.101 0.541 1.00 71.35 H new ATOM 0 HB2 ALA A 44 4.111 4.476 0.722 1.00 71.35 H new ATOM 0 HB3 ALA A 44 3.663 5.418 2.164 1.00 71.35 H new ATOM 709 N ALA A 45 5.361 7.606 3.090 1.00 24.23 N ATOM 710 CA ALA A 45 5.352 8.885 3.803 1.00 22.42 C ATOM 711 C ALA A 45 6.678 9.648 3.585 1.00 13.43 C ATOM 712 O ALA A 45 6.672 10.881 3.528 1.00 30.22 O ATOM 713 CB ALA A 45 5.096 8.672 5.297 1.00 12.35 C ATOM 0 H ALA A 45 5.311 6.793 3.704 1.00 24.23 H new ATOM 0 HA ALA A 45 4.540 9.489 3.398 1.00 22.42 H new ATOM 0 HB1 ALA A 45 5.094 9.635 5.807 1.00 12.35 H new ATOM 0 HB2 ALA A 45 4.130 8.186 5.435 1.00 12.35 H new ATOM 0 HB3 ALA A 45 5.882 8.043 5.715 1.00 12.35 H new ATOM 719 N ASP A 46 7.807 8.887 3.458 1.00 70.34 N ATOM 720 CA ASP A 46 9.153 9.446 3.154 1.00 41.10 C ATOM 721 C ASP A 46 9.099 10.273 1.874 1.00 5.40 C ATOM 722 O ASP A 46 9.583 11.394 1.831 1.00 14.14 O ATOM 723 CB ASP A 46 10.233 8.332 2.956 1.00 71.42 C ATOM 724 CG ASP A 46 10.779 7.709 4.257 1.00 12.24 C ATOM 725 OD1 ASP A 46 11.189 8.468 5.162 1.00 43.31 O ATOM 726 OD2 ASP A 46 10.867 6.465 4.362 1.00 1.45 O ATOM 0 H ASP A 46 7.805 7.873 3.564 1.00 70.34 H new ATOM 0 HA ASP A 46 9.433 10.059 4.011 1.00 41.10 H new ATOM 0 HB2 ASP A 46 9.805 7.538 2.343 1.00 71.42 H new ATOM 0 HB3 ASP A 46 11.068 8.753 2.395 1.00 71.42 H new ATOM 731 N LYS A 47 8.492 9.673 0.844 1.00 51.45 N ATOM 732 CA LYS A 47 8.421 10.233 -0.513 1.00 74.32 C ATOM 733 C LYS A 47 7.498 11.469 -0.585 1.00 74.42 C ATOM 734 O LYS A 47 7.705 12.357 -1.423 1.00 34.11 O ATOM 735 CB LYS A 47 8.007 9.119 -1.504 1.00 71.11 C ATOM 736 CG LYS A 47 9.048 7.968 -1.604 1.00 73.01 C ATOM 737 CD LYS A 47 10.446 8.468 -2.063 1.00 63.54 C ATOM 738 CE LYS A 47 11.496 7.346 -2.168 1.00 65.55 C ATOM 739 NZ LYS A 47 11.140 6.320 -3.185 1.00 43.21 N ATOM 0 H LYS A 47 8.028 8.769 0.930 1.00 51.45 H new ATOM 0 HA LYS A 47 9.408 10.596 -0.799 1.00 74.32 H new ATOM 0 HB2 LYS A 47 7.047 8.706 -1.195 1.00 71.11 H new ATOM 0 HB3 LYS A 47 7.863 9.556 -2.492 1.00 71.11 H new ATOM 0 HG2 LYS A 47 9.141 7.481 -0.633 1.00 73.01 H new ATOM 0 HG3 LYS A 47 8.687 7.216 -2.305 1.00 73.01 H new ATOM 0 HD2 LYS A 47 10.348 8.955 -3.033 1.00 63.54 H new ATOM 0 HD3 LYS A 47 10.801 9.223 -1.362 1.00 63.54 H new ATOM 0 HE2 LYS A 47 12.463 7.781 -2.420 1.00 65.55 H new ATOM 0 HE3 LYS A 47 11.607 6.865 -1.196 1.00 65.55 H new ATOM 0 HZ1 LYS A 47 12.004 5.984 -3.657 1.00 43.21 H new ATOM 0 HZ2 LYS A 47 10.666 5.520 -2.720 1.00 43.21 H new ATOM 0 HZ3 LYS A 47 10.500 6.738 -3.891 1.00 43.21 H new ATOM 753 N ILE A 48 6.474 11.520 0.290 1.00 65.42 N ATOM 754 CA ILE A 48 5.605 12.709 0.417 1.00 11.45 C ATOM 755 C ILE A 48 6.365 13.848 1.154 1.00 64.11 C ATOM 756 O ILE A 48 6.200 15.029 0.840 1.00 42.41 O ATOM 757 CB ILE A 48 4.254 12.387 1.158 1.00 21.44 C ATOM 758 CG1 ILE A 48 3.613 11.065 0.624 1.00 53.13 C ATOM 759 CG2 ILE A 48 3.259 13.572 1.040 1.00 15.13 C ATOM 760 CD1 ILE A 48 3.274 11.042 -0.860 1.00 62.14 C ATOM 0 H ILE A 48 6.228 10.755 0.918 1.00 65.42 H new ATOM 0 HA ILE A 48 5.349 13.034 -0.591 1.00 11.45 H new ATOM 0 HB ILE A 48 4.483 12.241 2.214 1.00 21.44 H new ATOM 0 HG12 ILE A 48 4.297 10.242 0.833 1.00 53.13 H new ATOM 0 HG13 ILE A 48 2.700 10.873 1.188 1.00 53.13 H new ATOM 0 HG21 ILE A 48 2.334 13.324 1.560 1.00 15.13 H new ATOM 0 HG22 ILE A 48 3.699 14.463 1.488 1.00 15.13 H new ATOM 0 HG23 ILE A 48 3.044 13.763 -0.011 1.00 15.13 H new ATOM 0 HD11 ILE A 48 2.836 10.078 -1.118 1.00 62.14 H new ATOM 0 HD12 ILE A 48 2.561 11.836 -1.083 1.00 62.14 H new ATOM 0 HD13 ILE A 48 4.182 11.196 -1.443 1.00 62.14 H new ATOM 772 N LYS A 49 7.205 13.467 2.139 1.00 22.03 N ATOM 773 CA LYS A 49 8.077 14.412 2.887 1.00 1.21 C ATOM 774 C LYS A 49 9.263 14.854 1.989 1.00 11.02 C ATOM 775 O LYS A 49 9.835 15.932 2.175 1.00 43.05 O ATOM 776 CB LYS A 49 8.561 13.755 4.229 1.00 41.23 C ATOM 777 CG LYS A 49 8.820 14.736 5.421 1.00 2.25 C ATOM 778 CD LYS A 49 10.114 15.595 5.331 1.00 55.20 C ATOM 779 CE LYS A 49 11.403 14.840 5.720 1.00 23.15 C ATOM 780 NZ LYS A 49 11.702 13.693 4.823 1.00 71.11 N ATOM 0 H LYS A 49 7.302 12.498 2.442 1.00 22.03 H new ATOM 0 HA LYS A 49 7.512 15.306 3.151 1.00 1.21 H new ATOM 0 HB2 LYS A 49 7.815 13.024 4.542 1.00 41.23 H new ATOM 0 HB3 LYS A 49 9.481 13.206 4.030 1.00 41.23 H new ATOM 0 HG2 LYS A 49 7.966 15.409 5.503 1.00 2.25 H new ATOM 0 HG3 LYS A 49 8.857 14.154 6.342 1.00 2.25 H new ATOM 0 HD2 LYS A 49 10.219 15.969 4.312 1.00 55.20 H new ATOM 0 HD3 LYS A 49 10.006 16.464 5.980 1.00 55.20 H new ATOM 0 HE2 LYS A 49 12.243 15.535 5.703 1.00 23.15 H new ATOM 0 HE3 LYS A 49 11.310 14.478 6.744 1.00 23.15 H new ATOM 0 HZ1 LYS A 49 12.725 13.506 4.827 1.00 71.11 H new ATOM 0 HZ2 LYS A 49 11.195 12.849 5.158 1.00 71.11 H new ATOM 0 HZ3 LYS A 49 11.396 13.920 3.855 1.00 71.11 H new ATOM 794 N LYS A 50 9.622 13.982 1.034 1.00 13.23 N ATOM 795 CA LYS A 50 10.728 14.195 0.080 1.00 5.23 C ATOM 796 C LYS A 50 10.449 15.419 -0.814 1.00 40.53 C ATOM 797 O LYS A 50 11.356 16.190 -1.146 1.00 54.11 O ATOM 798 CB LYS A 50 10.889 12.915 -0.785 1.00 3.42 C ATOM 799 CG LYS A 50 12.172 12.832 -1.622 1.00 71.44 C ATOM 800 CD LYS A 50 13.442 12.697 -0.750 1.00 24.14 C ATOM 801 CE LYS A 50 14.716 12.537 -1.586 1.00 21.40 C ATOM 802 NZ LYS A 50 15.931 12.405 -0.738 1.00 71.35 N ATOM 0 H LYS A 50 9.144 13.091 0.898 1.00 13.23 H new ATOM 0 HA LYS A 50 11.650 14.389 0.627 1.00 5.23 H new ATOM 0 HB2 LYS A 50 10.850 12.047 -0.127 1.00 3.42 H new ATOM 0 HB3 LYS A 50 10.034 12.844 -1.457 1.00 3.42 H new ATOM 0 HG2 LYS A 50 12.107 11.979 -2.297 1.00 71.44 H new ATOM 0 HG3 LYS A 50 12.255 13.724 -2.243 1.00 71.44 H new ATOM 0 HD2 LYS A 50 13.537 13.577 -0.114 1.00 24.14 H new ATOM 0 HD3 LYS A 50 13.335 11.837 -0.089 1.00 24.14 H new ATOM 0 HE2 LYS A 50 14.622 11.658 -2.223 1.00 21.40 H new ATOM 0 HE3 LYS A 50 14.827 13.398 -2.245 1.00 21.40 H new ATOM 0 HZ1 LYS A 50 16.768 12.299 -1.345 1.00 71.35 H new ATOM 0 HZ2 LYS A 50 16.037 13.255 -0.148 1.00 71.35 H new ATOM 0 HZ3 LYS A 50 15.839 11.569 -0.127 1.00 71.35 H new ATOM 816 N GLN A 51 9.172 15.563 -1.183 1.00 34.10 N ATOM 817 CA GLN A 51 8.658 16.694 -1.968 1.00 71.34 C ATOM 818 C GLN A 51 7.141 16.769 -1.786 1.00 52.24 C ATOM 819 O GLN A 51 6.592 17.797 -1.374 1.00 12.11 O ATOM 820 CB GLN A 51 9.008 16.538 -3.481 1.00 24.43 C ATOM 821 CG GLN A 51 8.344 17.582 -4.414 1.00 32.31 C ATOM 822 CD GLN A 51 8.679 17.401 -5.897 1.00 5.44 C ATOM 823 OE1 GLN A 51 9.764 16.960 -6.259 1.00 5.01 O ATOM 824 NE2 GLN A 51 7.738 17.732 -6.770 1.00 22.41 N ATOM 0 H GLN A 51 8.451 14.884 -0.940 1.00 34.10 H new ATOM 0 HA GLN A 51 9.126 17.613 -1.614 1.00 71.34 H new ATOM 0 HB2 GLN A 51 10.090 16.604 -3.598 1.00 24.43 H new ATOM 0 HB3 GLN A 51 8.712 15.541 -3.807 1.00 24.43 H new ATOM 0 HG2 GLN A 51 7.263 17.529 -4.288 1.00 32.31 H new ATOM 0 HG3 GLN A 51 8.653 18.580 -4.102 1.00 32.31 H new ATOM 0 HE21 GLN A 51 6.844 18.097 -6.442 1.00 22.41 H new ATOM 0 HE22 GLN A 51 7.908 17.622 -7.770 1.00 22.41 H new ATOM 833 N GLY A 52 6.480 15.648 -2.090 1.00 12.02 N ATOM 834 CA GLY A 52 5.025 15.569 -2.125 1.00 14.34 C ATOM 835 C GLY A 52 4.580 14.876 -3.385 1.00 73.15 C ATOM 836 O GLY A 52 4.101 15.525 -4.318 1.00 53.21 O ATOM 0 H GLY A 52 6.945 14.769 -2.319 1.00 12.02 H new ATOM 0 HA2 GLY A 52 4.660 15.026 -1.253 1.00 14.34 H new ATOM 0 HA3 GLY A 52 4.596 16.570 -2.079 1.00 14.34 H new ATOM 840 N CYS A 53 4.794 13.546 -3.424 1.00 12.10 N ATOM 841 CA CYS A 53 4.376 12.695 -4.547 1.00 73.44 C ATOM 842 C CYS A 53 2.849 12.780 -4.751 1.00 71.12 C ATOM 843 O CYS A 53 2.360 12.858 -5.880 1.00 31.14 O ATOM 844 CB CYS A 53 4.812 11.234 -4.290 1.00 42.25 C ATOM 845 SG CYS A 53 6.590 11.032 -4.076 1.00 4.51 S ATOM 0 H CYS A 53 5.262 13.035 -2.676 1.00 12.10 H new ATOM 0 HA CYS A 53 4.859 13.050 -5.458 1.00 73.44 H new ATOM 0 HB2 CYS A 53 4.304 10.865 -3.399 1.00 42.25 H new ATOM 0 HB3 CYS A 53 4.483 10.615 -5.124 1.00 42.25 H new ATOM 0 HG CYS A 53 6.989 11.744 -3.064 1.00 4.51 H new ATOM 851 N LYS A 54 2.119 12.728 -3.611 1.00 30.33 N ATOM 852 CA LYS A 54 0.647 12.882 -3.527 1.00 11.11 C ATOM 853 C LYS A 54 -0.136 11.727 -4.200 1.00 73.41 C ATOM 854 O LYS A 54 -1.369 11.680 -4.108 1.00 52.45 O ATOM 855 CB LYS A 54 0.196 14.262 -4.085 1.00 63.51 C ATOM 856 CG LYS A 54 0.760 15.480 -3.316 1.00 1.30 C ATOM 857 CD LYS A 54 0.444 16.849 -3.978 1.00 14.33 C ATOM 858 CE LYS A 54 1.178 17.089 -5.323 1.00 42.32 C ATOM 859 NZ LYS A 54 0.625 16.310 -6.469 1.00 3.44 N ATOM 0 H LYS A 54 2.550 12.574 -2.700 1.00 30.33 H new ATOM 0 HA LYS A 54 0.400 12.835 -2.466 1.00 11.11 H new ATOM 0 HB2 LYS A 54 0.501 14.335 -5.129 1.00 63.51 H new ATOM 0 HB3 LYS A 54 -0.893 14.309 -4.067 1.00 63.51 H new ATOM 0 HG2 LYS A 54 0.356 15.476 -2.304 1.00 1.30 H new ATOM 0 HG3 LYS A 54 1.841 15.372 -3.228 1.00 1.30 H new ATOM 0 HD2 LYS A 54 -0.631 16.919 -4.146 1.00 14.33 H new ATOM 0 HD3 LYS A 54 0.711 17.646 -3.284 1.00 14.33 H new ATOM 0 HE2 LYS A 54 1.132 18.151 -5.564 1.00 42.32 H new ATOM 0 HE3 LYS A 54 2.231 16.835 -5.200 1.00 42.32 H new ATOM 0 HZ1 LYS A 54 1.246 15.501 -6.670 1.00 3.44 H new ATOM 0 HZ2 LYS A 54 -0.326 15.965 -6.228 1.00 3.44 H new ATOM 0 HZ3 LYS A 54 0.569 16.921 -7.309 1.00 3.44 H new ATOM 873 N ARG A 55 0.579 10.795 -4.852 1.00 23.24 N ATOM 874 CA ARG A 55 -0.015 9.645 -5.521 1.00 3.51 C ATOM 875 C ARG A 55 0.870 8.428 -5.239 1.00 50.50 C ATOM 876 O ARG A 55 2.046 8.380 -5.623 1.00 11.24 O ATOM 877 CB ARG A 55 -0.142 9.905 -7.053 1.00 21.21 C ATOM 878 CG ARG A 55 -0.958 8.836 -7.826 1.00 1.51 C ATOM 879 CD ARG A 55 -1.164 9.193 -9.315 1.00 31.31 C ATOM 880 NE ARG A 55 -2.198 8.347 -9.946 1.00 22.22 N ATOM 881 CZ ARG A 55 -2.973 8.709 -10.987 1.00 11.14 C ATOM 882 NH1 ARG A 55 -2.863 9.910 -11.544 1.00 72.03 N ATOM 883 NH2 ARG A 55 -3.895 7.876 -11.443 1.00 1.34 N ATOM 0 H ARG A 55 1.596 10.827 -4.925 1.00 23.24 H new ATOM 0 HA ARG A 55 -1.022 9.466 -5.143 1.00 3.51 H new ATOM 0 HB2 ARG A 55 -0.608 10.878 -7.205 1.00 21.21 H new ATOM 0 HB3 ARG A 55 0.858 9.960 -7.483 1.00 21.21 H new ATOM 0 HG2 ARG A 55 -0.447 7.876 -7.756 1.00 1.51 H new ATOM 0 HG3 ARG A 55 -1.931 8.715 -7.349 1.00 1.51 H new ATOM 0 HD2 ARG A 55 -1.450 10.241 -9.401 1.00 31.31 H new ATOM 0 HD3 ARG A 55 -0.222 9.075 -9.850 1.00 31.31 H new ATOM 0 HE ARG A 55 -2.336 7.412 -9.562 1.00 22.22 H new ATOM 0 HH11 ARG A 55 -2.182 10.579 -11.184 1.00 72.03 H new ATOM 0 HH12 ARG A 55 -3.460 10.164 -12.331 1.00 72.03 H new ATOM 0 HH21 ARG A 55 -4.018 6.962 -11.006 1.00 1.34 H new ATOM 0 HH22 ARG A 55 -4.483 8.148 -12.231 1.00 1.34 H new ATOM 897 N VAL A 56 0.296 7.488 -4.506 1.00 3.55 N ATOM 898 CA VAL A 56 0.863 6.171 -4.243 1.00 64.21 C ATOM 899 C VAL A 56 -0.084 5.167 -4.909 1.00 64.13 C ATOM 900 O VAL A 56 -1.289 5.271 -4.737 1.00 44.43 O ATOM 901 CB VAL A 56 0.944 5.890 -2.688 1.00 72.34 C ATOM 902 CG1 VAL A 56 1.472 4.469 -2.383 1.00 62.24 C ATOM 903 CG2 VAL A 56 1.779 6.973 -1.959 1.00 75.25 C ATOM 0 H VAL A 56 -0.611 7.624 -4.060 1.00 3.55 H new ATOM 0 HA VAL A 56 1.878 6.096 -4.634 1.00 64.21 H new ATOM 0 HB VAL A 56 -0.074 5.942 -2.301 1.00 72.34 H new ATOM 0 HG11 VAL A 56 1.511 4.319 -1.304 1.00 62.24 H new ATOM 0 HG12 VAL A 56 0.806 3.730 -2.828 1.00 62.24 H new ATOM 0 HG13 VAL A 56 2.472 4.355 -2.802 1.00 62.24 H new ATOM 0 HG21 VAL A 56 1.814 6.749 -0.893 1.00 75.25 H new ATOM 0 HG22 VAL A 56 2.792 6.983 -2.361 1.00 75.25 H new ATOM 0 HG23 VAL A 56 1.319 7.950 -2.110 1.00 75.25 H new ATOM 913 N LYS A 57 0.440 4.250 -5.710 1.00 31.44 N ATOM 914 CA LYS A 57 -0.367 3.210 -6.364 1.00 41.33 C ATOM 915 C LYS A 57 0.066 1.851 -5.804 1.00 52.12 C ATOM 916 O LYS A 57 1.196 1.429 -6.013 1.00 60.03 O ATOM 917 CB LYS A 57 -0.173 3.284 -7.909 1.00 13.11 C ATOM 918 CG LYS A 57 -0.453 4.685 -8.512 1.00 55.34 C ATOM 919 CD LYS A 57 -0.353 4.722 -10.056 1.00 45.11 C ATOM 920 CE LYS A 57 1.046 4.355 -10.591 1.00 44.21 C ATOM 921 NZ LYS A 57 1.079 4.359 -12.085 1.00 62.22 N ATOM 0 H LYS A 57 1.435 4.199 -5.930 1.00 31.44 H new ATOM 0 HA LYS A 57 -1.428 3.356 -6.163 1.00 41.33 H new ATOM 0 HB2 LYS A 57 0.849 2.993 -8.151 1.00 13.11 H new ATOM 0 HB3 LYS A 57 -0.832 2.557 -8.383 1.00 13.11 H new ATOM 0 HG2 LYS A 57 -1.450 5.009 -8.212 1.00 55.34 H new ATOM 0 HG3 LYS A 57 0.254 5.401 -8.092 1.00 55.34 H new ATOM 0 HD2 LYS A 57 -1.086 4.033 -10.476 1.00 45.11 H new ATOM 0 HD3 LYS A 57 -0.616 5.720 -10.405 1.00 45.11 H new ATOM 0 HE2 LYS A 57 1.781 5.063 -10.208 1.00 44.21 H new ATOM 0 HE3 LYS A 57 1.331 3.370 -10.222 1.00 44.21 H new ATOM 0 HZ1 LYS A 57 2.034 4.108 -12.412 1.00 62.22 H new ATOM 0 HZ2 LYS A 57 0.395 3.665 -12.449 1.00 62.22 H new ATOM 0 HZ3 LYS A 57 0.831 5.306 -12.435 1.00 62.22 H new ATOM 935 N ILE A 58 -0.835 1.175 -5.088 1.00 33.45 N ATOM 936 CA ILE A 58 -0.563 -0.145 -4.497 1.00 24.00 C ATOM 937 C ILE A 58 -1.143 -1.189 -5.447 1.00 55.13 C ATOM 938 O ILE A 58 -2.338 -1.195 -5.700 1.00 5.23 O ATOM 939 CB ILE A 58 -1.230 -0.282 -3.067 1.00 32.51 C ATOM 940 CG1 ILE A 58 -0.589 0.732 -2.067 1.00 63.45 C ATOM 941 CG2 ILE A 58 -1.176 -1.739 -2.527 1.00 34.02 C ATOM 942 CD1 ILE A 58 -1.245 0.772 -0.695 1.00 73.20 C ATOM 0 H ILE A 58 -1.775 1.524 -4.899 1.00 33.45 H new ATOM 0 HA ILE A 58 0.510 -0.283 -4.365 1.00 24.00 H new ATOM 0 HB ILE A 58 -2.287 -0.036 -3.170 1.00 32.51 H new ATOM 0 HG12 ILE A 58 0.465 0.483 -1.944 1.00 63.45 H new ATOM 0 HG13 ILE A 58 -0.632 1.729 -2.505 1.00 63.45 H new ATOM 0 HG21 ILE A 58 -1.646 -1.780 -1.544 1.00 34.02 H new ATOM 0 HG22 ILE A 58 -1.707 -2.401 -3.211 1.00 34.02 H new ATOM 0 HG23 ILE A 58 -0.137 -2.059 -2.446 1.00 34.02 H new ATOM 0 HD11 ILE A 58 -0.734 1.503 -0.069 1.00 73.20 H new ATOM 0 HD12 ILE A 58 -2.293 1.054 -0.801 1.00 73.20 H new ATOM 0 HD13 ILE A 58 -1.179 -0.212 -0.231 1.00 73.20 H new ATOM 954 N ARG A 59 -0.279 -2.014 -6.023 1.00 32.22 N ATOM 955 CA ARG A 59 -0.686 -3.122 -6.899 1.00 22.31 C ATOM 956 C ARG A 59 -0.147 -4.418 -6.268 1.00 41.05 C ATOM 957 O ARG A 59 0.854 -4.393 -5.543 1.00 2.32 O ATOM 958 CB ARG A 59 -0.170 -2.886 -8.364 1.00 32.44 C ATOM 959 CG ARG A 59 -1.053 -3.541 -9.453 1.00 4.23 C ATOM 960 CD ARG A 59 -0.618 -3.209 -10.903 1.00 30.22 C ATOM 961 NE ARG A 59 -1.614 -3.693 -11.889 1.00 54.21 N ATOM 962 CZ ARG A 59 -1.374 -4.501 -12.948 1.00 14.24 C ATOM 963 NH1 ARG A 59 -0.148 -4.944 -13.219 1.00 31.55 N ATOM 964 NH2 ARG A 59 -2.389 -4.881 -13.719 1.00 3.10 N ATOM 0 H ARG A 59 0.731 -1.939 -5.900 1.00 32.22 H new ATOM 0 HA ARG A 59 -1.771 -3.192 -6.982 1.00 22.31 H new ATOM 0 HB2 ARG A 59 -0.115 -1.814 -8.551 1.00 32.44 H new ATOM 0 HB3 ARG A 59 0.844 -3.277 -8.449 1.00 32.44 H new ATOM 0 HG2 ARG A 59 -1.035 -4.622 -9.318 1.00 4.23 H new ATOM 0 HG3 ARG A 59 -2.085 -3.219 -9.312 1.00 4.23 H new ATOM 0 HD2 ARG A 59 -0.492 -2.132 -11.009 1.00 30.22 H new ATOM 0 HD3 ARG A 59 0.351 -3.665 -11.108 1.00 30.22 H new ATOM 0 HE ARG A 59 -2.578 -3.386 -11.756 1.00 54.21 H new ATOM 0 HH11 ARG A 59 0.635 -4.675 -12.623 1.00 31.55 H new ATOM 0 HH12 ARG A 59 0.008 -5.552 -14.023 1.00 31.55 H new ATOM 0 HH21 ARG A 59 -3.335 -4.564 -13.509 1.00 3.10 H new ATOM 0 HH22 ARG A 59 -2.221 -5.490 -14.520 1.00 3.10 H new ATOM 978 N PHE A 60 -0.838 -5.529 -6.504 1.00 1.11 N ATOM 979 CA PHE A 60 -0.524 -6.816 -5.878 1.00 31.21 C ATOM 980 C PHE A 60 -1.113 -7.935 -6.733 1.00 4.24 C ATOM 981 O PHE A 60 -2.271 -7.837 -7.152 1.00 13.02 O ATOM 982 CB PHE A 60 -1.107 -6.859 -4.431 1.00 34.12 C ATOM 983 CG PHE A 60 -1.106 -8.251 -3.801 1.00 54.10 C ATOM 984 CD1 PHE A 60 0.075 -8.829 -3.359 1.00 73.41 C ATOM 985 CD2 PHE A 60 -2.280 -8.998 -3.704 1.00 53.24 C ATOM 986 CE1 PHE A 60 0.090 -10.101 -2.829 1.00 52.44 C ATOM 987 CE2 PHE A 60 -2.260 -10.271 -3.184 1.00 4.31 C ATOM 988 CZ PHE A 60 -1.077 -10.823 -2.744 1.00 3.51 C ATOM 0 H PHE A 60 -1.636 -5.566 -7.138 1.00 1.11 H new ATOM 0 HA PHE A 60 0.556 -6.947 -5.811 1.00 31.21 H new ATOM 0 HB2 PHE A 60 -0.530 -6.185 -3.798 1.00 34.12 H new ATOM 0 HB3 PHE A 60 -2.129 -6.481 -4.451 1.00 34.12 H new ATOM 0 HD1 PHE A 60 0.998 -8.273 -3.431 1.00 73.41 H new ATOM 0 HD2 PHE A 60 -3.214 -8.572 -4.041 1.00 53.24 H new ATOM 0 HE1 PHE A 60 1.018 -10.530 -2.481 1.00 52.44 H new ATOM 0 HE2 PHE A 60 -3.176 -10.840 -3.120 1.00 4.31 H new ATOM 0 HZ PHE A 60 -1.066 -11.822 -2.333 1.00 3.51 H new ATOM 998 N GLU A 61 -0.328 -9.009 -6.922 1.00 45.15 N ATOM 999 CA GLU A 61 -0.698 -10.156 -7.763 1.00 40.15 C ATOM 1000 C GLU A 61 -1.972 -10.830 -7.216 1.00 61.14 C ATOM 1001 O GLU A 61 -1.999 -11.270 -6.067 1.00 61.44 O ATOM 1002 CB GLU A 61 0.476 -11.183 -7.817 1.00 25.40 C ATOM 1003 CG GLU A 61 0.523 -12.091 -9.073 1.00 4.25 C ATOM 1004 CD GLU A 61 -0.716 -12.988 -9.304 1.00 32.11 C ATOM 1005 OE1 GLU A 61 -0.837 -14.041 -8.638 1.00 64.00 O ATOM 1006 OE2 GLU A 61 -1.568 -12.646 -10.164 1.00 20.44 O ATOM 0 H GLU A 61 0.591 -9.105 -6.490 1.00 45.15 H new ATOM 0 HA GLU A 61 -0.899 -9.800 -8.773 1.00 40.15 H new ATOM 0 HB2 GLU A 61 1.416 -10.635 -7.753 1.00 25.40 H new ATOM 0 HB3 GLU A 61 0.417 -11.819 -6.934 1.00 25.40 H new ATOM 0 HG2 GLU A 61 0.658 -11.458 -9.950 1.00 4.25 H new ATOM 0 HG3 GLU A 61 1.403 -12.731 -9.003 1.00 4.25 H new ATOM 1013 N LYS A 62 -2.993 -10.938 -8.066 1.00 20.02 N ATOM 1014 CA LYS A 62 -4.281 -11.528 -7.703 1.00 42.34 C ATOM 1015 C LYS A 62 -4.736 -12.399 -8.880 1.00 2.40 C ATOM 1016 O LYS A 62 -5.315 -11.889 -9.851 1.00 51.03 O ATOM 1017 CB LYS A 62 -5.296 -10.391 -7.349 1.00 10.14 C ATOM 1018 CG LYS A 62 -6.617 -10.800 -6.627 1.00 61.51 C ATOM 1019 CD LYS A 62 -7.640 -11.530 -7.533 1.00 54.22 C ATOM 1020 CE LYS A 62 -8.091 -10.681 -8.743 1.00 53.52 C ATOM 1021 NZ LYS A 62 -8.873 -11.495 -9.709 1.00 55.34 N ATOM 0 H LYS A 62 -2.949 -10.616 -9.033 1.00 20.02 H new ATOM 0 HA LYS A 62 -4.208 -12.159 -6.817 1.00 42.34 H new ATOM 0 HB2 LYS A 62 -4.781 -9.665 -6.720 1.00 10.14 H new ATOM 0 HB3 LYS A 62 -5.563 -9.880 -8.274 1.00 10.14 H new ATOM 0 HG2 LYS A 62 -6.371 -11.445 -5.783 1.00 61.51 H new ATOM 0 HG3 LYS A 62 -7.086 -9.905 -6.218 1.00 61.51 H new ATOM 0 HD2 LYS A 62 -7.199 -12.460 -7.893 1.00 54.22 H new ATOM 0 HD3 LYS A 62 -8.514 -11.800 -6.940 1.00 54.22 H new ATOM 0 HE2 LYS A 62 -8.695 -9.842 -8.397 1.00 53.52 H new ATOM 0 HE3 LYS A 62 -7.218 -10.260 -9.241 1.00 53.52 H new ATOM 0 HZ1 LYS A 62 -9.439 -10.867 -10.315 1.00 55.34 H new ATOM 0 HZ2 LYS A 62 -8.223 -12.052 -10.300 1.00 55.34 H new ATOM 0 HZ3 LYS A 62 -9.505 -12.137 -9.190 1.00 55.34 H new ATOM 1035 N LYS A 63 -4.399 -13.700 -8.796 1.00 11.22 N ATOM 1036 CA LYS A 63 -4.819 -14.725 -9.770 1.00 31.40 C ATOM 1037 C LYS A 63 -4.334 -16.093 -9.292 1.00 5.41 C ATOM 1038 O LYS A 63 -5.124 -17.032 -9.125 1.00 3.45 O ATOM 1039 CB LYS A 63 -4.261 -14.414 -11.185 1.00 73.41 C ATOM 1040 CG LYS A 63 -4.805 -15.304 -12.323 1.00 5.55 C ATOM 1041 CD LYS A 63 -4.237 -14.886 -13.699 1.00 73.34 C ATOM 1042 CE LYS A 63 -4.538 -13.409 -14.039 1.00 1.04 C ATOM 1043 NZ LYS A 63 -3.924 -12.996 -15.327 1.00 24.14 N ATOM 0 H LYS A 63 -3.822 -14.073 -8.042 1.00 11.22 H new ATOM 0 HA LYS A 63 -5.907 -14.725 -9.840 1.00 31.40 H new ATOM 0 HB2 LYS A 63 -4.482 -13.374 -11.423 1.00 73.41 H new ATOM 0 HB3 LYS A 63 -3.176 -14.511 -11.158 1.00 73.41 H new ATOM 0 HG2 LYS A 63 -4.549 -16.345 -12.125 1.00 5.55 H new ATOM 0 HG3 LYS A 63 -5.893 -15.242 -12.345 1.00 5.55 H new ATOM 0 HD2 LYS A 63 -3.159 -15.045 -13.707 1.00 73.34 H new ATOM 0 HD3 LYS A 63 -4.659 -15.527 -14.473 1.00 73.34 H new ATOM 0 HE2 LYS A 63 -5.617 -13.261 -14.088 1.00 1.04 H new ATOM 0 HE3 LYS A 63 -4.165 -12.770 -13.239 1.00 1.04 H new ATOM 0 HZ1 LYS A 63 -4.151 -11.999 -15.516 1.00 24.14 H new ATOM 0 HZ2 LYS A 63 -2.892 -13.112 -15.272 1.00 24.14 H new ATOM 0 HZ3 LYS A 63 -4.299 -13.588 -16.096 1.00 24.14 H new ATOM 1057 N GLY A 64 -3.015 -16.171 -9.050 1.00 63.02 N ATOM 1058 CA GLY A 64 -2.367 -17.386 -8.558 1.00 25.34 C ATOM 1059 C GLY A 64 -2.378 -17.479 -7.032 1.00 32.34 C ATOM 1060 O GLY A 64 -1.334 -17.697 -6.400 1.00 32.32 O ATOM 0 H GLY A 64 -2.373 -15.391 -9.192 1.00 63.02 H new ATOM 0 HA2 GLY A 64 -2.871 -18.257 -8.975 1.00 25.34 H new ATOM 0 HA3 GLY A 64 -1.337 -17.414 -8.913 1.00 25.34 H new ATOM 1064 N LEU A 65 -3.578 -17.313 -6.445 1.00 20.21 N ATOM 1065 CA LEU A 65 -3.793 -17.382 -4.994 1.00 42.53 C ATOM 1066 C LEU A 65 -5.190 -17.917 -4.669 1.00 73.22 C ATOM 1067 O LEU A 65 -6.099 -17.904 -5.516 1.00 65.05 O ATOM 1068 CB LEU A 65 -3.526 -15.994 -4.307 1.00 21.04 C ATOM 1069 CG LEU A 65 -3.976 -14.670 -5.048 1.00 14.32 C ATOM 1070 CD1 LEU A 65 -5.489 -14.608 -5.333 1.00 42.15 C ATOM 1071 CD2 LEU A 65 -3.532 -13.430 -4.239 1.00 72.23 C ATOM 0 H LEU A 65 -4.431 -17.126 -6.972 1.00 20.21 H new ATOM 0 HA LEU A 65 -3.070 -18.086 -4.583 1.00 42.53 H new ATOM 0 HB2 LEU A 65 -4.017 -16.009 -3.334 1.00 21.04 H new ATOM 0 HB3 LEU A 65 -2.454 -15.919 -4.122 1.00 21.04 H new ATOM 0 HG LEU A 65 -3.482 -14.677 -6.020 1.00 14.32 H new ATOM 0 HD11 LEU A 65 -5.725 -13.674 -5.842 1.00 42.15 H new ATOM 0 HD12 LEU A 65 -5.775 -15.448 -5.966 1.00 42.15 H new ATOM 0 HD13 LEU A 65 -6.039 -14.658 -4.393 1.00 42.15 H new ATOM 0 HD21 LEU A 65 -3.847 -12.525 -4.758 1.00 72.23 H new ATOM 0 HD22 LEU A 65 -3.989 -13.458 -3.250 1.00 72.23 H new ATOM 0 HD23 LEU A 65 -2.447 -13.431 -4.138 1.00 72.23 H new ATOM 1083 N ASP A 66 -5.338 -18.387 -3.429 1.00 1.31 N ATOM 1084 CA ASP A 66 -6.619 -18.846 -2.882 1.00 42.42 C ATOM 1085 C ASP A 66 -7.429 -17.625 -2.401 1.00 71.42 C ATOM 1086 O ASP A 66 -6.864 -16.532 -2.227 1.00 24.31 O ATOM 1087 CB ASP A 66 -6.346 -19.840 -1.715 1.00 41.05 C ATOM 1088 CG ASP A 66 -7.597 -20.608 -1.248 1.00 4.11 C ATOM 1089 OD1 ASP A 66 -7.997 -21.577 -1.928 1.00 13.34 O ATOM 1090 OD2 ASP A 66 -8.188 -20.253 -0.204 1.00 31.24 O ATOM 0 H ASP A 66 -4.564 -18.461 -2.768 1.00 1.31 H new ATOM 0 HA ASP A 66 -7.200 -19.363 -3.646 1.00 42.42 H new ATOM 0 HB2 ASP A 66 -5.588 -20.557 -2.030 1.00 41.05 H new ATOM 0 HB3 ASP A 66 -5.933 -19.289 -0.870 1.00 41.05 H new ATOM 1095 N ASP A 67 -8.745 -17.816 -2.191 1.00 62.40 N ATOM 1096 CA ASP A 67 -9.647 -16.777 -1.632 1.00 75.33 C ATOM 1097 C ASP A 67 -9.204 -16.358 -0.209 1.00 14.53 C ATOM 1098 O ASP A 67 -9.506 -15.247 0.238 1.00 63.52 O ATOM 1099 CB ASP A 67 -11.119 -17.293 -1.651 1.00 71.30 C ATOM 1100 CG ASP A 67 -12.123 -16.362 -0.932 1.00 45.45 C ATOM 1101 OD1 ASP A 67 -12.374 -15.251 -1.429 1.00 61.44 O ATOM 1102 OD2 ASP A 67 -12.671 -16.740 0.120 1.00 11.04 O ATOM 0 H ASP A 67 -9.219 -18.694 -2.403 1.00 62.40 H new ATOM 0 HA ASP A 67 -9.588 -15.885 -2.255 1.00 75.33 H new ATOM 0 HB2 ASP A 67 -11.435 -17.420 -2.686 1.00 71.30 H new ATOM 0 HB3 ASP A 67 -11.154 -18.277 -1.184 1.00 71.30 H new ATOM 1107 N ASP A 68 -8.470 -17.257 0.478 1.00 4.55 N ATOM 1108 CA ASP A 68 -7.841 -16.976 1.784 1.00 55.43 C ATOM 1109 C ASP A 68 -6.761 -15.884 1.648 1.00 31.33 C ATOM 1110 O ASP A 68 -6.837 -14.850 2.322 1.00 64.42 O ATOM 1111 CB ASP A 68 -7.213 -18.271 2.377 1.00 22.12 C ATOM 1112 CG ASP A 68 -6.382 -18.018 3.658 1.00 75.35 C ATOM 1113 OD1 ASP A 68 -6.978 -17.869 4.745 1.00 11.21 O ATOM 1114 OD2 ASP A 68 -5.133 -17.954 3.577 1.00 23.25 O ATOM 0 H ASP A 68 -8.296 -18.204 0.140 1.00 4.55 H new ATOM 0 HA ASP A 68 -8.616 -16.617 2.461 1.00 55.43 H new ATOM 0 HB2 ASP A 68 -8.008 -18.982 2.603 1.00 22.12 H new ATOM 0 HB3 ASP A 68 -6.575 -18.735 1.624 1.00 22.12 H new ATOM 1119 N ALA A 69 -5.786 -16.121 0.744 1.00 1.43 N ATOM 1120 CA ALA A 69 -4.649 -15.204 0.526 1.00 54.52 C ATOM 1121 C ALA A 69 -5.131 -13.850 -0.010 1.00 74.32 C ATOM 1122 O ALA A 69 -4.650 -12.801 0.415 1.00 44.51 O ATOM 1123 CB ALA A 69 -3.635 -15.824 -0.439 1.00 63.24 C ATOM 0 H ALA A 69 -5.766 -16.949 0.148 1.00 1.43 H new ATOM 0 HA ALA A 69 -4.162 -15.039 1.487 1.00 54.52 H new ATOM 0 HB1 ALA A 69 -2.805 -15.134 -0.587 1.00 63.24 H new ATOM 0 HB2 ALA A 69 -3.260 -16.759 -0.022 1.00 63.24 H new ATOM 0 HB3 ALA A 69 -4.118 -16.022 -1.396 1.00 63.24 H new ATOM 1129 N ARG A 70 -6.117 -13.913 -0.930 1.00 64.11 N ATOM 1130 CA ARG A 70 -6.766 -12.731 -1.522 1.00 11.25 C ATOM 1131 C ARG A 70 -7.481 -11.897 -0.442 1.00 64.13 C ATOM 1132 O ARG A 70 -7.479 -10.668 -0.513 1.00 23.21 O ATOM 1133 CB ARG A 70 -7.774 -13.171 -2.623 1.00 70.52 C ATOM 1134 CG ARG A 70 -8.519 -12.012 -3.333 1.00 41.02 C ATOM 1135 CD ARG A 70 -9.443 -12.496 -4.466 1.00 1.35 C ATOM 1136 NE ARG A 70 -10.509 -13.404 -4.008 1.00 4.31 N ATOM 1137 CZ ARG A 70 -11.355 -14.063 -4.827 1.00 13.52 C ATOM 1138 NH1 ARG A 70 -11.279 -13.929 -6.152 1.00 53.12 N ATOM 1139 NH2 ARG A 70 -12.285 -14.849 -4.317 1.00 33.11 N ATOM 0 H ARG A 70 -6.486 -14.796 -1.284 1.00 64.11 H new ATOM 0 HA ARG A 70 -5.996 -12.107 -1.976 1.00 11.25 H new ATOM 0 HB2 ARG A 70 -7.238 -13.751 -3.374 1.00 70.52 H new ATOM 0 HB3 ARG A 70 -8.512 -13.835 -2.174 1.00 70.52 H new ATOM 0 HG2 ARG A 70 -9.110 -11.463 -2.599 1.00 41.02 H new ATOM 0 HG3 ARG A 70 -7.788 -11.313 -3.741 1.00 41.02 H new ATOM 0 HD2 ARG A 70 -9.897 -11.630 -4.949 1.00 1.35 H new ATOM 0 HD3 ARG A 70 -8.843 -13.004 -5.221 1.00 1.35 H new ATOM 0 HE ARG A 70 -10.615 -13.544 -3.003 1.00 4.31 H new ATOM 0 HH11 ARG A 70 -10.572 -13.320 -6.563 1.00 53.12 H new ATOM 0 HH12 ARG A 70 -11.928 -14.436 -6.754 1.00 53.12 H new ATOM 0 HH21 ARG A 70 -12.363 -14.957 -3.306 1.00 33.11 H new ATOM 0 HH22 ARG A 70 -12.926 -15.348 -4.934 1.00 33.11 H new ATOM 1153 N LYS A 71 -8.060 -12.588 0.564 1.00 32.32 N ATOM 1154 CA LYS A 71 -8.838 -11.943 1.641 1.00 23.23 C ATOM 1155 C LYS A 71 -7.915 -11.171 2.597 1.00 71.11 C ATOM 1156 O LYS A 71 -8.206 -10.035 2.962 1.00 55.24 O ATOM 1157 CB LYS A 71 -9.652 -12.999 2.425 1.00 3.34 C ATOM 1158 CG LYS A 71 -10.728 -12.421 3.378 1.00 25.40 C ATOM 1159 CD LYS A 71 -11.541 -13.505 4.140 1.00 5.33 C ATOM 1160 CE LYS A 71 -12.414 -14.411 3.231 1.00 40.35 C ATOM 1161 NZ LYS A 71 -11.627 -15.387 2.417 1.00 73.44 N ATOM 0 H LYS A 71 -8.001 -13.603 0.651 1.00 32.32 H new ATOM 0 HA LYS A 71 -9.528 -11.235 1.182 1.00 23.23 H new ATOM 0 HB2 LYS A 71 -10.139 -13.663 1.711 1.00 3.34 H new ATOM 0 HB3 LYS A 71 -8.962 -13.609 3.008 1.00 3.34 H new ATOM 0 HG2 LYS A 71 -10.244 -11.767 4.103 1.00 25.40 H new ATOM 0 HG3 LYS A 71 -11.416 -11.803 2.801 1.00 25.40 H new ATOM 0 HD2 LYS A 71 -10.849 -14.133 4.701 1.00 5.33 H new ATOM 0 HD3 LYS A 71 -12.186 -13.013 4.868 1.00 5.33 H new ATOM 0 HE2 LYS A 71 -13.122 -14.959 3.853 1.00 40.35 H new ATOM 0 HE3 LYS A 71 -12.999 -13.781 2.561 1.00 40.35 H new ATOM 0 HZ1 LYS A 71 -11.649 -15.103 1.417 1.00 73.44 H new ATOM 0 HZ2 LYS A 71 -10.642 -15.403 2.751 1.00 73.44 H new ATOM 0 HZ3 LYS A 71 -12.041 -16.336 2.516 1.00 73.44 H new ATOM 1175 N LYS A 72 -6.791 -11.796 2.978 1.00 44.43 N ATOM 1176 CA LYS A 72 -5.814 -11.179 3.901 1.00 11.23 C ATOM 1177 C LYS A 72 -5.109 -9.996 3.208 1.00 71.54 C ATOM 1178 O LYS A 72 -4.806 -8.990 3.842 1.00 25.42 O ATOM 1179 CB LYS A 72 -4.778 -12.233 4.385 1.00 0.51 C ATOM 1180 CG LYS A 72 -5.405 -13.543 4.914 1.00 31.04 C ATOM 1181 CD LYS A 72 -6.403 -13.324 6.081 1.00 72.45 C ATOM 1182 CE LYS A 72 -7.250 -14.576 6.376 1.00 73.44 C ATOM 1183 NZ LYS A 72 -6.427 -15.776 6.662 1.00 75.12 N ATOM 0 H LYS A 72 -6.532 -12.731 2.663 1.00 44.43 H new ATOM 0 HA LYS A 72 -6.345 -10.803 4.776 1.00 11.23 H new ATOM 0 HB2 LYS A 72 -4.107 -12.472 3.560 1.00 0.51 H new ATOM 0 HB3 LYS A 72 -4.168 -11.791 5.173 1.00 0.51 H new ATOM 0 HG2 LYS A 72 -5.920 -14.046 4.096 1.00 31.04 H new ATOM 0 HG3 LYS A 72 -4.609 -14.209 5.247 1.00 31.04 H new ATOM 0 HD2 LYS A 72 -5.852 -13.043 6.978 1.00 72.45 H new ATOM 0 HD3 LYS A 72 -7.063 -12.491 5.839 1.00 72.45 H new ATOM 0 HE2 LYS A 72 -7.900 -14.376 7.228 1.00 73.44 H new ATOM 0 HE3 LYS A 72 -7.897 -14.780 5.523 1.00 73.44 H new ATOM 0 HZ1 LYS A 72 -6.564 -16.479 5.908 1.00 75.12 H new ATOM 0 HZ2 LYS A 72 -5.424 -15.506 6.706 1.00 75.12 H new ATOM 0 HZ3 LYS A 72 -6.715 -16.185 7.573 1.00 75.12 H new ATOM 1197 N ALA A 73 -4.903 -10.146 1.890 1.00 60.34 N ATOM 1198 CA ALA A 73 -4.207 -9.169 1.042 1.00 44.30 C ATOM 1199 C ALA A 73 -5.076 -7.943 0.707 1.00 30.14 C ATOM 1200 O ALA A 73 -4.548 -6.832 0.627 1.00 53.54 O ATOM 1201 CB ALA A 73 -3.757 -9.849 -0.243 1.00 20.12 C ATOM 0 H ALA A 73 -5.222 -10.967 1.375 1.00 60.34 H new ATOM 0 HA ALA A 73 -3.347 -8.804 1.603 1.00 44.30 H new ATOM 0 HB1 ALA A 73 -3.240 -9.127 -0.875 1.00 20.12 H new ATOM 0 HB2 ALA A 73 -3.082 -10.670 -0.003 1.00 20.12 H new ATOM 0 HB3 ALA A 73 -4.627 -10.238 -0.773 1.00 20.12 H new ATOM 1207 N LYS A 74 -6.396 -8.155 0.473 1.00 65.21 N ATOM 1208 CA LYS A 74 -7.330 -7.042 0.153 1.00 23.43 C ATOM 1209 C LYS A 74 -7.506 -6.136 1.380 1.00 1.14 C ATOM 1210 O LYS A 74 -7.478 -4.911 1.259 1.00 51.14 O ATOM 1211 CB LYS A 74 -8.715 -7.550 -0.366 1.00 13.24 C ATOM 1212 CG LYS A 74 -9.525 -8.401 0.636 1.00 45.21 C ATOM 1213 CD LYS A 74 -10.917 -8.846 0.124 1.00 42.21 C ATOM 1214 CE LYS A 74 -11.922 -7.683 -0.010 1.00 31.20 C ATOM 1215 NZ LYS A 74 -13.282 -8.165 -0.399 1.00 12.13 N ATOM 0 H LYS A 74 -6.835 -9.075 0.499 1.00 65.21 H new ATOM 0 HA LYS A 74 -6.886 -6.467 -0.660 1.00 23.43 H new ATOM 0 HB2 LYS A 74 -9.316 -6.687 -0.653 1.00 13.24 H new ATOM 0 HB3 LYS A 74 -8.552 -8.139 -1.269 1.00 13.24 H new ATOM 0 HG2 LYS A 74 -8.945 -9.288 0.891 1.00 45.21 H new ATOM 0 HG3 LYS A 74 -9.656 -7.830 1.555 1.00 45.21 H new ATOM 0 HD2 LYS A 74 -10.801 -9.330 -0.846 1.00 42.21 H new ATOM 0 HD3 LYS A 74 -11.325 -9.592 0.806 1.00 42.21 H new ATOM 0 HE2 LYS A 74 -11.984 -7.146 0.936 1.00 31.20 H new ATOM 0 HE3 LYS A 74 -11.561 -6.975 -0.756 1.00 31.20 H new ATOM 0 HZ1 LYS A 74 -13.928 -7.354 -0.479 1.00 12.13 H new ATOM 0 HZ2 LYS A 74 -13.228 -8.656 -1.314 1.00 12.13 H new ATOM 0 HZ3 LYS A 74 -13.638 -8.821 0.325 1.00 12.13 H new ATOM 1229 N LYS A 75 -7.641 -6.776 2.567 1.00 32.24 N ATOM 1230 CA LYS A 75 -7.755 -6.083 3.859 1.00 73.43 C ATOM 1231 C LYS A 75 -6.463 -5.312 4.142 1.00 63.31 C ATOM 1232 O LYS A 75 -6.508 -4.145 4.519 1.00 41.12 O ATOM 1233 CB LYS A 75 -8.032 -7.092 5.008 1.00 34.54 C ATOM 1234 CG LYS A 75 -9.373 -7.851 4.879 1.00 74.40 C ATOM 1235 CD LYS A 75 -9.572 -8.922 5.977 1.00 2.21 C ATOM 1236 CE LYS A 75 -9.641 -8.331 7.396 1.00 53.11 C ATOM 1237 NZ LYS A 75 -10.807 -7.423 7.572 1.00 13.40 N ATOM 0 H LYS A 75 -7.673 -7.792 2.648 1.00 32.24 H new ATOM 0 HA LYS A 75 -8.593 -5.388 3.808 1.00 73.43 H new ATOM 0 HB2 LYS A 75 -7.219 -7.817 5.042 1.00 34.54 H new ATOM 0 HB3 LYS A 75 -8.021 -6.556 5.957 1.00 34.54 H new ATOM 0 HG2 LYS A 75 -10.194 -7.136 4.924 1.00 74.40 H new ATOM 0 HG3 LYS A 75 -9.420 -8.329 3.901 1.00 74.40 H new ATOM 0 HD2 LYS A 75 -10.490 -9.473 5.775 1.00 2.21 H new ATOM 0 HD3 LYS A 75 -8.752 -9.639 5.929 1.00 2.21 H new ATOM 0 HE2 LYS A 75 -9.701 -9.141 8.122 1.00 53.11 H new ATOM 0 HE3 LYS A 75 -8.722 -7.783 7.605 1.00 53.11 H new ATOM 0 HZ1 LYS A 75 -10.861 -7.116 8.564 1.00 13.40 H new ATOM 0 HZ2 LYS A 75 -10.695 -6.591 6.958 1.00 13.40 H new ATOM 0 HZ3 LYS A 75 -11.681 -7.927 7.317 1.00 13.40 H new ATOM 1251 N TRP A 76 -5.323 -5.990 3.902 1.00 31.40 N ATOM 1252 CA TRP A 76 -3.981 -5.429 4.086 1.00 75.45 C ATOM 1253 C TRP A 76 -3.776 -4.178 3.211 1.00 33.31 C ATOM 1254 O TRP A 76 -3.341 -3.157 3.711 1.00 35.21 O ATOM 1255 CB TRP A 76 -2.909 -6.505 3.767 1.00 3.31 C ATOM 1256 CG TRP A 76 -1.499 -5.982 3.760 1.00 63.44 C ATOM 1257 CD1 TRP A 76 -0.802 -5.499 4.827 1.00 44.42 C ATOM 1258 CD2 TRP A 76 -0.626 -5.867 2.626 1.00 30.14 C ATOM 1259 NE1 TRP A 76 0.443 -5.102 4.427 1.00 42.23 N ATOM 1260 CE2 TRP A 76 0.577 -5.319 3.088 1.00 51.43 C ATOM 1261 CE3 TRP A 76 -0.749 -6.183 1.268 1.00 30.42 C ATOM 1262 CZ2 TRP A 76 1.652 -5.068 2.253 1.00 11.03 C ATOM 1263 CZ3 TRP A 76 0.324 -5.936 0.432 1.00 45.43 C ATOM 1264 CH2 TRP A 76 1.515 -5.383 0.930 1.00 70.35 C ATOM 0 H TRP A 76 -5.315 -6.955 3.571 1.00 31.40 H new ATOM 0 HA TRP A 76 -3.875 -5.124 5.127 1.00 75.45 H new ATOM 0 HB2 TRP A 76 -2.984 -7.307 4.502 1.00 3.31 H new ATOM 0 HB3 TRP A 76 -3.128 -6.943 2.793 1.00 3.31 H new ATOM 0 HD1 TRP A 76 -1.178 -5.439 5.838 1.00 44.42 H new ATOM 0 HE1 TRP A 76 1.160 -4.706 5.035 1.00 42.23 H new ATOM 0 HE3 TRP A 76 -1.662 -6.611 0.882 1.00 30.42 H new ATOM 0 HZ2 TRP A 76 2.567 -4.638 2.633 1.00 11.03 H new ATOM 0 HZ3 TRP A 76 0.245 -6.172 -0.619 1.00 45.43 H new ATOM 0 HH2 TRP A 76 2.338 -5.203 0.255 1.00 70.35 H new ATOM 1275 N ALA A 77 -4.129 -4.281 1.919 1.00 73.34 N ATOM 1276 CA ALA A 77 -3.930 -3.201 0.932 1.00 33.14 C ATOM 1277 C ALA A 77 -4.754 -1.947 1.286 1.00 3.40 C ATOM 1278 O ALA A 77 -4.330 -0.825 1.004 1.00 4.34 O ATOM 1279 CB ALA A 77 -4.277 -3.709 -0.472 1.00 25.21 C ATOM 0 H ALA A 77 -4.562 -5.117 1.526 1.00 73.34 H new ATOM 0 HA ALA A 77 -2.880 -2.909 0.953 1.00 33.14 H new ATOM 0 HB1 ALA A 77 -4.128 -2.908 -1.196 1.00 25.21 H new ATOM 0 HB2 ALA A 77 -3.632 -4.550 -0.724 1.00 25.21 H new ATOM 0 HB3 ALA A 77 -5.318 -4.031 -0.496 1.00 25.21 H new ATOM 1285 N LEU A 78 -5.930 -2.171 1.910 1.00 12.23 N ATOM 1286 CA LEU A 78 -6.811 -1.100 2.411 1.00 63.30 C ATOM 1287 C LEU A 78 -6.245 -0.497 3.718 1.00 62.33 C ATOM 1288 O LEU A 78 -6.340 0.706 3.933 1.00 33.34 O ATOM 1289 CB LEU A 78 -8.243 -1.653 2.663 1.00 55.25 C ATOM 1290 CG LEU A 78 -9.037 -2.156 1.414 1.00 63.43 C ATOM 1291 CD1 LEU A 78 -10.369 -2.822 1.833 1.00 43.24 C ATOM 1292 CD2 LEU A 78 -9.268 -1.015 0.399 1.00 31.31 C ATOM 0 H LEU A 78 -6.295 -3.108 2.080 1.00 12.23 H new ATOM 0 HA LEU A 78 -6.860 -0.316 1.655 1.00 63.30 H new ATOM 0 HB2 LEU A 78 -8.168 -2.477 3.372 1.00 55.25 H new ATOM 0 HB3 LEU A 78 -8.829 -0.870 3.145 1.00 55.25 H new ATOM 0 HG LEU A 78 -8.432 -2.914 0.917 1.00 63.43 H new ATOM 0 HD11 LEU A 78 -10.901 -3.163 0.945 1.00 43.24 H new ATOM 0 HD12 LEU A 78 -10.162 -3.674 2.481 1.00 43.24 H new ATOM 0 HD13 LEU A 78 -10.984 -2.099 2.369 1.00 43.24 H new ATOM 0 HD21 LEU A 78 -9.823 -1.397 -0.458 1.00 31.31 H new ATOM 0 HD22 LEU A 78 -9.838 -0.216 0.873 1.00 31.31 H new ATOM 0 HD23 LEU A 78 -8.307 -0.625 0.064 1.00 31.31 H new ATOM 1304 N GLU A 79 -5.661 -1.356 4.580 1.00 1.10 N ATOM 1305 CA GLU A 79 -5.081 -0.935 5.875 1.00 1.04 C ATOM 1306 C GLU A 79 -3.796 -0.104 5.679 1.00 65.44 C ATOM 1307 O GLU A 79 -3.556 0.839 6.425 1.00 60.11 O ATOM 1308 CB GLU A 79 -4.797 -2.163 6.785 1.00 44.22 C ATOM 1309 CG GLU A 79 -6.049 -2.840 7.373 1.00 0.24 C ATOM 1310 CD GLU A 79 -6.899 -1.890 8.234 1.00 4.24 C ATOM 1311 OE1 GLU A 79 -6.468 -1.553 9.356 1.00 63.51 O ATOM 1312 OE2 GLU A 79 -8.000 -1.480 7.798 1.00 10.01 O ATOM 0 H GLU A 79 -5.578 -2.357 4.400 1.00 1.10 H new ATOM 0 HA GLU A 79 -5.819 -0.301 6.368 1.00 1.04 H new ATOM 0 HB2 GLU A 79 -4.239 -2.902 6.209 1.00 44.22 H new ATOM 0 HB3 GLU A 79 -4.154 -1.847 7.606 1.00 44.22 H new ATOM 0 HG2 GLU A 79 -6.661 -3.229 6.559 1.00 0.24 H new ATOM 0 HG3 GLU A 79 -5.743 -3.694 7.978 1.00 0.24 H new ATOM 1319 N VAL A 80 -2.983 -0.484 4.673 1.00 0.11 N ATOM 1320 CA VAL A 80 -1.780 0.264 4.252 1.00 41.22 C ATOM 1321 C VAL A 80 -2.211 1.618 3.660 1.00 41.22 C ATOM 1322 O VAL A 80 -1.642 2.659 3.987 1.00 72.11 O ATOM 1323 CB VAL A 80 -0.952 -0.549 3.177 1.00 64.42 C ATOM 1324 CG1 VAL A 80 0.250 0.252 2.638 1.00 24.22 C ATOM 1325 CG2 VAL A 80 -0.464 -1.901 3.731 1.00 24.23 C ATOM 0 H VAL A 80 -3.145 -1.328 4.124 1.00 0.11 H new ATOM 0 HA VAL A 80 -1.143 0.421 5.122 1.00 41.22 H new ATOM 0 HB VAL A 80 -1.638 -0.736 2.351 1.00 64.42 H new ATOM 0 HG11 VAL A 80 0.787 -0.348 1.903 1.00 24.22 H new ATOM 0 HG12 VAL A 80 -0.105 1.169 2.168 1.00 24.22 H new ATOM 0 HG13 VAL A 80 0.919 0.502 3.461 1.00 24.22 H new ATOM 0 HG21 VAL A 80 0.100 -2.427 2.961 1.00 24.23 H new ATOM 0 HG22 VAL A 80 0.176 -1.730 4.597 1.00 24.23 H new ATOM 0 HG23 VAL A 80 -1.322 -2.504 4.028 1.00 24.23 H new ATOM 1335 N ALA A 81 -3.251 1.558 2.812 1.00 21.10 N ATOM 1336 CA ALA A 81 -3.853 2.726 2.155 1.00 71.21 C ATOM 1337 C ALA A 81 -4.368 3.763 3.177 1.00 54.23 C ATOM 1338 O ALA A 81 -4.145 4.969 3.023 1.00 2.25 O ATOM 1339 CB ALA A 81 -4.996 2.247 1.253 1.00 53.12 C ATOM 0 H ALA A 81 -3.704 0.679 2.560 1.00 21.10 H new ATOM 0 HA ALA A 81 -3.088 3.224 1.560 1.00 71.21 H new ATOM 0 HB1 ALA A 81 -5.453 3.104 0.758 1.00 53.12 H new ATOM 0 HB2 ALA A 81 -4.604 1.561 0.502 1.00 53.12 H new ATOM 0 HB3 ALA A 81 -5.745 1.735 1.856 1.00 53.12 H new ATOM 1345 N ASN A 82 -5.045 3.256 4.228 1.00 22.41 N ATOM 1346 CA ASN A 82 -5.620 4.079 5.313 1.00 40.21 C ATOM 1347 C ASN A 82 -4.526 4.561 6.275 1.00 14.51 C ATOM 1348 O ASN A 82 -4.667 5.620 6.888 1.00 61.21 O ATOM 1349 CB ASN A 82 -6.706 3.285 6.104 1.00 3.51 C ATOM 1350 CG ASN A 82 -8.053 3.125 5.381 1.00 34.41 C ATOM 1351 OD1 ASN A 82 -8.052 2.966 4.059 1.00 12.25 O flip ATOM 1352 ND2 ASN A 82 -9.104 3.114 6.025 1.00 65.31 N flip ATOM 0 H ASN A 82 -5.209 2.257 4.349 1.00 22.41 H new ATOM 0 HA ASN A 82 -6.089 4.948 4.851 1.00 40.21 H new ATOM 0 HB2 ASN A 82 -6.314 2.294 6.333 1.00 3.51 H new ATOM 0 HB3 ASN A 82 -6.880 3.787 7.056 1.00 3.51 H new ATOM 0 HD21 ASN A 82 -9.083 3.238 7.037 1.00 65.31 H new ATOM 0 HD22 ASN A 82 -9.994 2.981 5.546 1.00 65.31 H new ATOM 1359 N LYS A 83 -3.451 3.758 6.414 1.00 55.05 N ATOM 1360 CA LYS A 83 -2.320 4.071 7.308 1.00 75.31 C ATOM 1361 C LYS A 83 -1.536 5.274 6.757 1.00 3.32 C ATOM 1362 O LYS A 83 -1.191 6.186 7.504 1.00 41.31 O ATOM 1363 CB LYS A 83 -1.386 2.833 7.466 1.00 51.31 C ATOM 1364 CG LYS A 83 -0.329 2.959 8.585 1.00 64.25 C ATOM 1365 CD LYS A 83 -0.952 3.013 9.997 1.00 45.01 C ATOM 1366 CE LYS A 83 0.093 3.284 11.093 1.00 34.12 C ATOM 1367 NZ LYS A 83 0.733 4.616 10.928 1.00 75.52 N ATOM 0 H LYS A 83 -3.344 2.877 5.911 1.00 55.05 H new ATOM 0 HA LYS A 83 -2.711 4.327 8.293 1.00 75.31 H new ATOM 0 HB2 LYS A 83 -2.000 1.954 7.663 1.00 51.31 H new ATOM 0 HB3 LYS A 83 -0.874 2.658 6.520 1.00 51.31 H new ATOM 0 HG2 LYS A 83 0.356 2.113 8.528 1.00 64.25 H new ATOM 0 HG3 LYS A 83 0.262 3.860 8.420 1.00 64.25 H new ATOM 0 HD2 LYS A 83 -1.713 3.793 10.025 1.00 45.01 H new ATOM 0 HD3 LYS A 83 -1.455 2.069 10.205 1.00 45.01 H new ATOM 0 HE2 LYS A 83 -0.384 3.228 12.072 1.00 34.12 H new ATOM 0 HE3 LYS A 83 0.858 2.508 11.066 1.00 34.12 H new ATOM 0 HZ1 LYS A 83 1.288 4.842 11.778 1.00 75.52 H new ATOM 0 HZ2 LYS A 83 1.360 4.599 10.099 1.00 75.52 H new ATOM 0 HZ3 LYS A 83 -0.002 5.340 10.792 1.00 75.52 H new ATOM 1381 N ILE A 84 -1.304 5.249 5.430 1.00 4.00 N ATOM 1382 CA ILE A 84 -0.625 6.316 4.669 1.00 22.20 C ATOM 1383 C ILE A 84 -1.532 7.580 4.577 1.00 50.11 C ATOM 1384 O ILE A 84 -1.038 8.712 4.664 1.00 12.22 O ATOM 1385 CB ILE A 84 -0.224 5.763 3.232 1.00 3.01 C ATOM 1386 CG1 ILE A 84 0.914 4.690 3.334 1.00 0.22 C ATOM 1387 CG2 ILE A 84 0.208 6.877 2.262 1.00 61.11 C ATOM 1388 CD1 ILE A 84 1.026 3.762 2.125 1.00 40.42 C ATOM 0 H ILE A 84 -1.591 4.466 4.843 1.00 4.00 H new ATOM 0 HA ILE A 84 0.287 6.616 5.185 1.00 22.20 H new ATOM 0 HB ILE A 84 -1.125 5.301 2.829 1.00 3.01 H new ATOM 0 HG12 ILE A 84 1.866 5.202 3.471 1.00 0.22 H new ATOM 0 HG13 ILE A 84 0.746 4.085 4.225 1.00 0.22 H new ATOM 0 HG21 ILE A 84 0.470 6.439 1.299 1.00 61.11 H new ATOM 0 HG22 ILE A 84 -0.612 7.582 2.129 1.00 61.11 H new ATOM 0 HG23 ILE A 84 1.073 7.399 2.670 1.00 61.11 H new ATOM 0 HD11 ILE A 84 1.839 3.054 2.284 1.00 40.42 H new ATOM 0 HD12 ILE A 84 0.090 3.218 1.996 1.00 40.42 H new ATOM 0 HD13 ILE A 84 1.229 4.352 1.231 1.00 40.42 H new ATOM 1400 N ALA A 85 -2.865 7.365 4.449 1.00 32.40 N ATOM 1401 CA ALA A 85 -3.865 8.461 4.447 1.00 21.21 C ATOM 1402 C ALA A 85 -3.861 9.211 5.796 1.00 53.40 C ATOM 1403 O ALA A 85 -3.869 10.447 5.832 1.00 70.30 O ATOM 1404 CB ALA A 85 -5.267 7.912 4.132 1.00 72.31 C ATOM 0 H ALA A 85 -3.274 6.436 4.345 1.00 32.40 H new ATOM 0 HA ALA A 85 -3.592 9.171 3.666 1.00 21.21 H new ATOM 0 HB1 ALA A 85 -5.987 8.730 4.135 1.00 72.31 H new ATOM 0 HB2 ALA A 85 -5.260 7.438 3.150 1.00 72.31 H new ATOM 0 HB3 ALA A 85 -5.549 7.178 4.887 1.00 72.31 H new ATOM 1410 N ASN A 86 -3.806 8.421 6.883 1.00 54.31 N ATOM 1411 CA ASN A 86 -3.747 8.924 8.269 1.00 71.25 C ATOM 1412 C ASN A 86 -2.415 9.653 8.515 1.00 32.42 C ATOM 1413 O ASN A 86 -2.379 10.713 9.147 1.00 50.21 O ATOM 1414 CB ASN A 86 -3.864 7.738 9.265 1.00 12.12 C ATOM 1415 CG ASN A 86 -4.044 8.189 10.723 1.00 64.51 C ATOM 1416 OD1 ASN A 86 -3.073 8.470 11.428 1.00 62.14 O ATOM 1417 ND2 ASN A 86 -5.280 8.259 11.191 1.00 25.14 N ATOM 0 H ASN A 86 -3.801 7.403 6.824 1.00 54.31 H new ATOM 0 HA ASN A 86 -4.573 9.618 8.421 1.00 71.25 H new ATOM 0 HB2 ASN A 86 -4.709 7.112 8.978 1.00 12.12 H new ATOM 0 HB3 ASN A 86 -2.970 7.119 9.190 1.00 12.12 H new ATOM 0 HD21 ASN A 86 -5.445 8.551 12.154 1.00 25.14 H new ATOM 0 HD22 ASN A 86 -6.068 8.021 10.588 1.00 25.14 H new ATOM 1424 N GLU A 87 -1.346 9.055 7.960 1.00 1.13 N ATOM 1425 CA GLU A 87 0.055 9.440 8.191 1.00 34.43 C ATOM 1426 C GLU A 87 0.299 10.908 7.793 1.00 54.13 C ATOM 1427 O GLU A 87 0.895 11.683 8.552 1.00 53.15 O ATOM 1428 CB GLU A 87 0.985 8.489 7.365 1.00 13.34 C ATOM 1429 CG GLU A 87 2.384 8.268 7.947 1.00 71.51 C ATOM 1430 CD GLU A 87 2.372 7.444 9.248 1.00 40.31 C ATOM 1431 OE1 GLU A 87 2.330 6.193 9.179 1.00 2.04 O ATOM 1432 OE2 GLU A 87 2.384 8.042 10.351 1.00 3.23 O ATOM 0 H GLU A 87 -1.437 8.267 7.319 1.00 1.13 H new ATOM 0 HA GLU A 87 0.280 9.345 9.253 1.00 34.43 H new ATOM 0 HB2 GLU A 87 0.493 7.521 7.269 1.00 13.34 H new ATOM 0 HB3 GLU A 87 1.089 8.895 6.359 1.00 13.34 H new ATOM 0 HG2 GLU A 87 3.003 7.760 7.207 1.00 71.51 H new ATOM 0 HG3 GLU A 87 2.848 9.235 8.140 1.00 71.51 H new ATOM 1439 N LEU A 88 -0.187 11.268 6.591 1.00 70.33 N ATOM 1440 CA LEU A 88 -0.051 12.625 6.030 1.00 13.21 C ATOM 1441 C LEU A 88 -1.267 13.514 6.365 1.00 12.45 C ATOM 1442 O LEU A 88 -1.236 14.725 6.099 1.00 54.31 O ATOM 1443 CB LEU A 88 0.179 12.552 4.489 1.00 22.40 C ATOM 1444 CG LEU A 88 1.560 11.964 4.012 1.00 60.42 C ATOM 1445 CD1 LEU A 88 2.743 12.633 4.742 1.00 2.13 C ATOM 1446 CD2 LEU A 88 1.632 10.422 4.122 1.00 3.25 C ATOM 0 H LEU A 88 -0.687 10.623 5.979 1.00 70.33 H new ATOM 0 HA LEU A 88 0.819 13.089 6.494 1.00 13.21 H new ATOM 0 HB2 LEU A 88 -0.617 11.949 4.053 1.00 22.40 H new ATOM 0 HB3 LEU A 88 0.077 13.557 4.081 1.00 22.40 H new ATOM 0 HG LEU A 88 1.640 12.201 2.951 1.00 60.42 H new ATOM 0 HD11 LEU A 88 3.680 12.202 4.388 1.00 2.13 H new ATOM 0 HD12 LEU A 88 2.737 13.704 4.540 1.00 2.13 H new ATOM 0 HD13 LEU A 88 2.650 12.466 5.815 1.00 2.13 H new ATOM 0 HD21 LEU A 88 2.608 10.078 3.779 1.00 3.25 H new ATOM 0 HD22 LEU A 88 1.487 10.124 5.160 1.00 3.25 H new ATOM 0 HD23 LEU A 88 0.852 9.976 3.504 1.00 3.25 H new ATOM 1458 N GLY A 89 -2.314 12.912 6.962 1.00 35.42 N ATOM 1459 CA GLY A 89 -3.554 13.625 7.292 1.00 31.24 C ATOM 1460 C GLY A 89 -4.336 14.055 6.056 1.00 11.34 C ATOM 1461 O GLY A 89 -5.050 15.063 6.072 1.00 31.04 O ATOM 0 H GLY A 89 -2.321 11.927 7.225 1.00 35.42 H new ATOM 0 HA2 GLY A 89 -4.183 12.984 7.909 1.00 31.24 H new ATOM 0 HA3 GLY A 89 -3.314 14.505 7.889 1.00 31.24 H new ATOM 1465 N ALA A 90 -4.175 13.272 4.977 1.00 0.33 N ATOM 1466 CA ALA A 90 -4.786 13.529 3.661 1.00 33.45 C ATOM 1467 C ALA A 90 -5.997 12.597 3.429 1.00 45.32 C ATOM 1468 O ALA A 90 -6.428 11.891 4.349 1.00 21.42 O ATOM 1469 CB ALA A 90 -3.710 13.352 2.577 1.00 11.51 C ATOM 0 H ALA A 90 -3.606 12.426 4.994 1.00 0.33 H new ATOM 0 HA ALA A 90 -5.165 14.550 3.618 1.00 33.45 H new ATOM 0 HB1 ALA A 90 -4.147 13.539 1.596 1.00 11.51 H new ATOM 0 HB2 ALA A 90 -2.897 14.057 2.752 1.00 11.51 H new ATOM 0 HB3 ALA A 90 -3.321 12.334 2.613 1.00 11.51 H new ATOM 1475 N LYS A 91 -6.539 12.609 2.196 1.00 3.34 N ATOM 1476 CA LYS A 91 -7.739 11.826 1.841 1.00 1.23 C ATOM 1477 C LYS A 91 -7.411 10.319 1.704 1.00 25.52 C ATOM 1478 O LYS A 91 -6.253 9.931 1.487 1.00 42.31 O ATOM 1479 CB LYS A 91 -8.382 12.389 0.532 1.00 61.13 C ATOM 1480 CG LYS A 91 -9.699 11.686 0.092 1.00 1.35 C ATOM 1481 CD LYS A 91 -10.370 12.341 -1.139 1.00 1.52 C ATOM 1482 CE LYS A 91 -10.954 13.730 -0.836 1.00 42.54 C ATOM 1483 NZ LYS A 91 -11.502 14.374 -2.063 1.00 54.14 N ATOM 0 H LYS A 91 -6.161 13.157 1.423 1.00 3.34 H new ATOM 0 HA LYS A 91 -8.463 11.924 2.650 1.00 1.23 H new ATOM 0 HB2 LYS A 91 -8.584 13.451 0.672 1.00 61.13 H new ATOM 0 HB3 LYS A 91 -7.656 12.306 -0.277 1.00 61.13 H new ATOM 0 HG2 LYS A 91 -9.485 10.641 -0.134 1.00 1.35 H new ATOM 0 HG3 LYS A 91 -10.401 11.694 0.925 1.00 1.35 H new ATOM 0 HD2 LYS A 91 -9.638 12.428 -1.942 1.00 1.52 H new ATOM 0 HD3 LYS A 91 -11.165 11.690 -1.502 1.00 1.52 H new ATOM 0 HE2 LYS A 91 -11.743 13.639 -0.089 1.00 42.54 H new ATOM 0 HE3 LYS A 91 -10.180 14.365 -0.406 1.00 42.54 H new ATOM 0 HZ1 LYS A 91 -12.091 15.188 -1.794 1.00 54.14 H new ATOM 0 HZ2 LYS A 91 -10.718 14.698 -2.665 1.00 54.14 H new ATOM 0 HZ3 LYS A 91 -12.080 13.686 -2.588 1.00 54.14 H new ATOM 1497 N GLN A 92 -8.469 9.497 1.863 1.00 55.03 N ATOM 1498 CA GLN A 92 -8.433 8.028 1.732 1.00 31.55 C ATOM 1499 C GLN A 92 -8.210 7.596 0.263 1.00 63.01 C ATOM 1500 O GLN A 92 -8.045 8.426 -0.639 1.00 74.12 O ATOM 1501 CB GLN A 92 -9.756 7.396 2.292 1.00 2.13 C ATOM 1502 CG GLN A 92 -9.922 7.450 3.833 1.00 52.21 C ATOM 1503 CD GLN A 92 -9.953 8.871 4.409 1.00 1.03 C ATOM 1504 OE1 GLN A 92 -11.011 9.498 4.492 1.00 42.15 O ATOM 1505 NE2 GLN A 92 -8.803 9.380 4.847 1.00 13.23 N ATOM 0 H GLN A 92 -9.398 9.849 2.093 1.00 55.03 H new ATOM 0 HA GLN A 92 -7.590 7.662 2.319 1.00 31.55 H new ATOM 0 HB2 GLN A 92 -10.604 7.906 1.835 1.00 2.13 H new ATOM 0 HB3 GLN A 92 -9.803 6.354 1.975 1.00 2.13 H new ATOM 0 HG2 GLN A 92 -10.845 6.938 4.107 1.00 52.21 H new ATOM 0 HG3 GLN A 92 -9.103 6.900 4.296 1.00 52.21 H new ATOM 0 HE21 GLN A 92 -7.942 8.839 4.766 1.00 13.23 H new ATOM 0 HE22 GLN A 92 -8.783 10.311 5.264 1.00 13.23 H new ATOM 1514 N SER A 93 -8.232 6.278 0.045 1.00 45.23 N ATOM 1515 CA SER A 93 -7.829 5.660 -1.219 1.00 60.03 C ATOM 1516 C SER A 93 -9.030 5.072 -1.971 1.00 42.11 C ATOM 1517 O SER A 93 -10.033 4.686 -1.357 1.00 70.23 O ATOM 1518 CB SER A 93 -6.817 4.555 -0.899 1.00 22.54 C ATOM 1519 OG SER A 93 -5.804 5.049 -0.034 1.00 53.30 O ATOM 0 H SER A 93 -8.533 5.604 0.749 1.00 45.23 H new ATOM 0 HA SER A 93 -7.387 6.418 -1.866 1.00 60.03 H new ATOM 0 HB2 SER A 93 -7.325 3.712 -0.431 1.00 22.54 H new ATOM 0 HB3 SER A 93 -6.369 4.185 -1.821 1.00 22.54 H new ATOM 0 HG SER A 93 -6.121 5.018 0.893 1.00 53.30 H new ATOM 1525 N THR A 94 -8.907 5.013 -3.301 1.00 53.54 N ATOM 1526 CA THR A 94 -9.849 4.302 -4.170 1.00 13.00 C ATOM 1527 C THR A 94 -9.273 2.905 -4.486 1.00 1.31 C ATOM 1528 O THR A 94 -8.065 2.756 -4.677 1.00 42.44 O ATOM 1529 CB THR A 94 -10.133 5.122 -5.480 1.00 55.42 C ATOM 1530 OG1 THR A 94 -11.100 4.440 -6.300 1.00 4.12 O ATOM 1531 CG2 THR A 94 -8.860 5.412 -6.304 1.00 40.23 C ATOM 0 H THR A 94 -8.144 5.461 -3.808 1.00 53.54 H new ATOM 0 HA THR A 94 -10.805 4.185 -3.660 1.00 13.00 H new ATOM 0 HB THR A 94 -10.531 6.085 -5.159 1.00 55.42 H new ATOM 0 HG1 THR A 94 -11.268 4.963 -7.111 1.00 4.12 H new ATOM 0 HG21 THR A 94 -9.125 5.981 -7.195 1.00 40.23 H new ATOM 0 HG22 THR A 94 -8.159 5.989 -5.700 1.00 40.23 H new ATOM 0 HG23 THR A 94 -8.395 4.471 -6.599 1.00 40.23 H new ATOM 1539 N THR A 95 -10.133 1.879 -4.494 1.00 72.12 N ATOM 1540 CA THR A 95 -9.723 0.480 -4.724 1.00 32.22 C ATOM 1541 C THR A 95 -10.347 -0.064 -6.020 1.00 32.13 C ATOM 1542 O THR A 95 -11.462 0.324 -6.408 1.00 53.32 O ATOM 1543 CB THR A 95 -10.089 -0.431 -3.500 1.00 3.01 C ATOM 1544 OG1 THR A 95 -9.748 -1.802 -3.771 1.00 45.14 O ATOM 1545 CG2 THR A 95 -11.575 -0.334 -3.109 1.00 35.21 C ATOM 0 H THR A 95 -11.135 1.991 -4.341 1.00 72.12 H new ATOM 0 HA THR A 95 -8.639 0.464 -4.834 1.00 32.22 H new ATOM 0 HB THR A 95 -9.504 -0.065 -2.656 1.00 3.01 H new ATOM 0 HG1 THR A 95 -9.981 -2.356 -2.997 1.00 45.14 H new ATOM 0 HG21 THR A 95 -11.770 -0.985 -2.257 1.00 35.21 H new ATOM 0 HG22 THR A 95 -11.814 0.695 -2.842 1.00 35.21 H new ATOM 0 HG23 THR A 95 -12.194 -0.643 -3.951 1.00 35.21 H new ATOM 1553 N THR A 96 -9.601 -0.956 -6.682 1.00 32.50 N ATOM 1554 CA THR A 96 -9.975 -1.593 -7.947 1.00 34.52 C ATOM 1555 C THR A 96 -9.878 -3.120 -7.752 1.00 70.43 C ATOM 1556 O THR A 96 -8.778 -3.670 -7.585 1.00 42.22 O ATOM 1557 CB THR A 96 -9.018 -1.116 -9.101 1.00 63.52 C ATOM 1558 OG1 THR A 96 -8.996 0.324 -9.152 1.00 21.40 O ATOM 1559 CG2 THR A 96 -9.417 -1.664 -10.484 1.00 64.35 C ATOM 0 H THR A 96 -8.691 -1.263 -6.339 1.00 32.50 H new ATOM 0 HA THR A 96 -10.991 -1.317 -8.228 1.00 34.52 H new ATOM 0 HB THR A 96 -8.029 -1.511 -8.869 1.00 63.52 H new ATOM 0 HG1 THR A 96 -8.398 0.617 -9.871 1.00 21.40 H new ATOM 0 HG21 THR A 96 -8.718 -1.298 -11.236 1.00 64.35 H new ATOM 0 HG22 THR A 96 -9.392 -2.754 -10.465 1.00 64.35 H new ATOM 0 HG23 THR A 96 -10.424 -1.329 -10.732 1.00 64.35 H new ATOM 1567 N THR A 97 -11.040 -3.791 -7.741 1.00 64.52 N ATOM 1568 CA THR A 97 -11.143 -5.235 -7.475 1.00 63.30 C ATOM 1569 C THR A 97 -11.287 -5.987 -8.816 1.00 22.15 C ATOM 1570 O THR A 97 -12.195 -5.690 -9.608 1.00 53.42 O ATOM 1571 CB THR A 97 -12.330 -5.548 -6.485 1.00 4.22 C ATOM 1572 OG1 THR A 97 -12.433 -6.964 -6.247 1.00 0.33 O ATOM 1573 CG2 THR A 97 -13.687 -5.003 -6.975 1.00 22.41 C ATOM 0 H THR A 97 -11.940 -3.345 -7.917 1.00 64.52 H new ATOM 0 HA THR A 97 -10.235 -5.581 -6.982 1.00 63.30 H new ATOM 0 HB THR A 97 -12.093 -5.033 -5.554 1.00 4.22 H new ATOM 0 HG1 THR A 97 -13.174 -7.139 -5.629 1.00 0.33 H new ATOM 0 HG21 THR A 97 -14.462 -5.251 -6.250 1.00 22.41 H new ATOM 0 HG22 THR A 97 -13.626 -3.920 -7.085 1.00 22.41 H new ATOM 0 HG23 THR A 97 -13.933 -5.452 -7.937 1.00 22.41 H new ATOM 1581 N ASP A 98 -10.326 -6.902 -9.087 1.00 55.35 N ATOM 1582 CA ASP A 98 -10.265 -7.713 -10.336 1.00 64.03 C ATOM 1583 C ASP A 98 -9.943 -6.810 -11.577 1.00 55.22 C ATOM 1584 O ASP A 98 -9.786 -5.586 -11.441 1.00 1.53 O ATOM 1585 CB ASP A 98 -11.582 -8.558 -10.500 1.00 12.45 C ATOM 1586 CG ASP A 98 -11.549 -9.618 -11.620 1.00 65.34 C ATOM 1587 OD1 ASP A 98 -10.621 -10.446 -11.627 1.00 24.22 O ATOM 1588 OD2 ASP A 98 -12.440 -9.630 -12.494 1.00 25.11 O ATOM 0 H ASP A 98 -9.562 -7.103 -8.442 1.00 55.35 H new ATOM 0 HA ASP A 98 -9.443 -8.425 -10.266 1.00 64.03 H new ATOM 0 HB2 ASP A 98 -11.793 -9.058 -9.555 1.00 12.45 H new ATOM 0 HB3 ASP A 98 -12.410 -7.876 -10.692 1.00 12.45 H new ATOM 1593 N GLY A 99 -9.799 -7.420 -12.773 1.00 45.50 N ATOM 1594 CA GLY A 99 -9.470 -6.692 -14.005 1.00 2.53 C ATOM 1595 C GLY A 99 -7.974 -6.688 -14.247 1.00 64.21 C ATOM 1596 O GLY A 99 -7.373 -5.627 -14.442 1.00 3.32 O ATOM 0 H GLY A 99 -9.908 -8.425 -12.905 1.00 45.50 H new ATOM 0 HA2 GLY A 99 -9.978 -7.153 -14.852 1.00 2.53 H new ATOM 0 HA3 GLY A 99 -9.834 -5.667 -13.935 1.00 2.53 H new ATOM 1600 N ASP A 100 -7.393 -7.905 -14.229 1.00 31.34 N ATOM 1601 CA ASP A 100 -5.939 -8.150 -14.313 1.00 1.01 C ATOM 1602 C ASP A 100 -5.211 -7.521 -13.109 1.00 71.45 C ATOM 1603 O ASP A 100 -4.946 -6.307 -13.108 1.00 3.43 O ATOM 1604 CB ASP A 100 -5.328 -7.659 -15.662 1.00 15.25 C ATOM 1605 CG ASP A 100 -3.816 -7.954 -15.789 1.00 70.52 C ATOM 1606 OD1 ASP A 100 -3.451 -9.117 -16.071 1.00 32.32 O ATOM 1607 OD2 ASP A 100 -2.985 -7.037 -15.604 1.00 55.01 O ATOM 0 H ASP A 100 -7.935 -8.766 -14.154 1.00 31.34 H new ATOM 0 HA ASP A 100 -5.793 -9.230 -14.281 1.00 1.01 H new ATOM 0 HB2 ASP A 100 -5.855 -8.137 -16.488 1.00 15.25 H new ATOM 0 HB3 ASP A 100 -5.491 -6.586 -15.758 1.00 15.25 H new ATOM 1612 N THR A 101 -4.925 -8.364 -12.084 1.00 25.30 N ATOM 1613 CA THR A 101 -4.177 -7.982 -10.865 1.00 13.44 C ATOM 1614 C THR A 101 -5.041 -7.067 -9.932 1.00 30.53 C ATOM 1615 O THR A 101 -5.955 -6.377 -10.394 1.00 54.41 O ATOM 1616 CB THR A 101 -2.802 -7.318 -11.260 1.00 51.13 C ATOM 1617 OG1 THR A 101 -2.159 -8.116 -12.277 1.00 41.44 O ATOM 1618 CG2 THR A 101 -1.837 -7.156 -10.087 1.00 70.14 C ATOM 0 H THR A 101 -5.213 -9.342 -12.084 1.00 25.30 H new ATOM 0 HA THR A 101 -3.954 -8.881 -10.290 1.00 13.44 H new ATOM 0 HB THR A 101 -3.039 -6.317 -11.622 1.00 51.13 H new ATOM 0 HG1 THR A 101 -1.305 -7.704 -12.525 1.00 41.44 H new ATOM 0 HG21 THR A 101 -0.914 -6.693 -10.436 1.00 70.14 H new ATOM 0 HG22 THR A 101 -2.294 -6.525 -9.325 1.00 70.14 H new ATOM 0 HG23 THR A 101 -1.613 -8.135 -9.662 1.00 70.14 H new ATOM 1626 N PHE A 102 -4.784 -7.107 -8.609 1.00 75.52 N ATOM 1627 CA PHE A 102 -5.505 -6.259 -7.617 1.00 34.22 C ATOM 1628 C PHE A 102 -4.751 -4.930 -7.432 1.00 43.51 C ATOM 1629 O PHE A 102 -3.518 -4.935 -7.373 1.00 71.54 O ATOM 1630 CB PHE A 102 -5.635 -7.005 -6.262 1.00 12.15 C ATOM 1631 CG PHE A 102 -6.496 -6.302 -5.211 1.00 3.13 C ATOM 1632 CD1 PHE A 102 -7.866 -6.115 -5.423 1.00 13.43 C ATOM 1633 CD2 PHE A 102 -5.949 -5.842 -4.009 1.00 73.30 C ATOM 1634 CE1 PHE A 102 -8.651 -5.475 -4.480 1.00 22.22 C ATOM 1635 CE2 PHE A 102 -6.737 -5.205 -3.070 1.00 23.12 C ATOM 1636 CZ PHE A 102 -8.089 -5.029 -3.300 1.00 55.50 C ATOM 0 H PHE A 102 -4.081 -7.718 -8.194 1.00 75.52 H new ATOM 0 HA PHE A 102 -6.509 -6.049 -7.987 1.00 34.22 H new ATOM 0 HB2 PHE A 102 -6.053 -7.994 -6.449 1.00 12.15 H new ATOM 0 HB3 PHE A 102 -4.637 -7.154 -5.850 1.00 12.15 H new ATOM 0 HD1 PHE A 102 -8.317 -6.475 -6.336 1.00 13.43 H new ATOM 0 HD2 PHE A 102 -4.897 -5.987 -3.812 1.00 73.30 H new ATOM 0 HE1 PHE A 102 -9.704 -5.324 -4.667 1.00 22.22 H new ATOM 0 HE2 PHE A 102 -6.296 -4.843 -2.153 1.00 23.12 H new ATOM 0 HZ PHE A 102 -8.705 -4.543 -2.558 1.00 55.50 H new ATOM 1646 N GLU A 103 -5.483 -3.798 -7.361 1.00 5.35 N ATOM 1647 CA GLU A 103 -4.862 -2.454 -7.294 1.00 62.52 C ATOM 1648 C GLU A 103 -5.685 -1.482 -6.405 1.00 64.25 C ATOM 1649 O GLU A 103 -6.836 -1.208 -6.702 1.00 40.23 O ATOM 1650 CB GLU A 103 -4.712 -1.905 -8.738 1.00 2.44 C ATOM 1651 CG GLU A 103 -3.883 -0.612 -8.866 1.00 5.15 C ATOM 1652 CD GLU A 103 -3.768 -0.130 -10.323 1.00 22.31 C ATOM 1653 OE1 GLU A 103 -4.692 0.557 -10.798 1.00 4.32 O ATOM 1654 OE2 GLU A 103 -2.778 -0.468 -11.009 1.00 60.35 O ATOM 0 H GLU A 103 -6.503 -3.786 -7.348 1.00 5.35 H new ATOM 0 HA GLU A 103 -3.880 -2.538 -6.829 1.00 62.52 H new ATOM 0 HB2 GLU A 103 -4.252 -2.675 -9.356 1.00 2.44 H new ATOM 0 HB3 GLU A 103 -5.706 -1.722 -9.145 1.00 2.44 H new ATOM 0 HG2 GLU A 103 -4.341 0.171 -8.262 1.00 5.15 H new ATOM 0 HG3 GLU A 103 -2.885 -0.782 -8.463 1.00 5.15 H new ATOM 1661 N VAL A 104 -5.080 -0.980 -5.310 1.00 43.43 N ATOM 1662 CA VAL A 104 -5.651 0.076 -4.446 1.00 21.41 C ATOM 1663 C VAL A 104 -4.791 1.341 -4.607 1.00 32.53 C ATOM 1664 O VAL A 104 -3.648 1.372 -4.162 1.00 24.03 O ATOM 1665 CB VAL A 104 -5.672 -0.346 -2.920 1.00 71.14 C ATOM 1666 CG1 VAL A 104 -6.262 0.777 -2.026 1.00 12.15 C ATOM 1667 CG2 VAL A 104 -6.442 -1.669 -2.717 1.00 11.15 C ATOM 0 H VAL A 104 -4.165 -1.302 -4.995 1.00 43.43 H new ATOM 0 HA VAL A 104 -6.683 0.251 -4.750 1.00 21.41 H new ATOM 0 HB VAL A 104 -4.638 -0.505 -2.614 1.00 71.14 H new ATOM 0 HG11 VAL A 104 -6.261 0.452 -0.986 1.00 12.15 H new ATOM 0 HG12 VAL A 104 -5.656 1.678 -2.126 1.00 12.15 H new ATOM 0 HG13 VAL A 104 -7.284 0.991 -2.338 1.00 12.15 H new ATOM 0 HG21 VAL A 104 -6.439 -1.933 -1.659 1.00 11.15 H new ATOM 0 HG22 VAL A 104 -7.470 -1.548 -3.058 1.00 11.15 H new ATOM 0 HG23 VAL A 104 -5.961 -2.462 -3.290 1.00 11.15 H new ATOM 1677 N GLU A 105 -5.333 2.381 -5.243 1.00 24.33 N ATOM 1678 CA GLU A 105 -4.594 3.626 -5.477 1.00 61.25 C ATOM 1679 C GLU A 105 -4.905 4.644 -4.358 1.00 0.40 C ATOM 1680 O GLU A 105 -6.061 5.005 -4.128 1.00 23.34 O ATOM 1681 CB GLU A 105 -4.938 4.207 -6.865 1.00 35.12 C ATOM 1682 CG GLU A 105 -4.123 5.464 -7.215 1.00 13.42 C ATOM 1683 CD GLU A 105 -4.413 5.999 -8.619 1.00 0.20 C ATOM 1684 OE1 GLU A 105 -5.407 6.729 -8.795 1.00 33.21 O ATOM 1685 OE2 GLU A 105 -3.648 5.690 -9.553 1.00 15.54 O ATOM 0 H GLU A 105 -6.286 2.387 -5.607 1.00 24.33 H new ATOM 0 HA GLU A 105 -3.526 3.411 -5.460 1.00 61.25 H new ATOM 0 HB2 GLU A 105 -4.762 3.445 -7.624 1.00 35.12 H new ATOM 0 HB3 GLU A 105 -6.000 4.450 -6.897 1.00 35.12 H new ATOM 0 HG2 GLU A 105 -4.338 6.244 -6.484 1.00 13.42 H new ATOM 0 HG3 GLU A 105 -3.061 5.235 -7.133 1.00 13.42 H new ATOM 1692 N VAL A 106 -3.833 5.101 -3.699 1.00 62.43 N ATOM 1693 CA VAL A 106 -3.869 6.052 -2.578 1.00 13.21 C ATOM 1694 C VAL A 106 -3.629 7.472 -3.116 1.00 0.03 C ATOM 1695 O VAL A 106 -2.518 7.802 -3.554 1.00 45.25 O ATOM 1696 CB VAL A 106 -2.745 5.697 -1.514 1.00 61.33 C ATOM 1697 CG1 VAL A 106 -2.876 6.549 -0.229 1.00 3.31 C ATOM 1698 CG2 VAL A 106 -2.738 4.185 -1.189 1.00 21.44 C ATOM 0 H VAL A 106 -2.885 4.810 -3.938 1.00 62.43 H new ATOM 0 HA VAL A 106 -4.843 5.993 -2.093 1.00 13.21 H new ATOM 0 HB VAL A 106 -1.784 5.945 -1.966 1.00 61.33 H new ATOM 0 HG11 VAL A 106 -2.088 6.274 0.472 1.00 3.31 H new ATOM 0 HG12 VAL A 106 -2.784 7.605 -0.482 1.00 3.31 H new ATOM 0 HG13 VAL A 106 -3.848 6.369 0.230 1.00 3.31 H new ATOM 0 HG21 VAL A 106 -1.958 3.974 -0.458 1.00 21.44 H new ATOM 0 HG22 VAL A 106 -3.706 3.896 -0.780 1.00 21.44 H new ATOM 0 HG23 VAL A 106 -2.545 3.618 -2.100 1.00 21.44 H new ATOM 1708 N ILE A 107 -4.688 8.298 -3.118 1.00 14.11 N ATOM 1709 CA ILE A 107 -4.610 9.699 -3.557 1.00 33.45 C ATOM 1710 C ILE A 107 -4.540 10.606 -2.317 1.00 2.43 C ATOM 1711 O ILE A 107 -5.556 10.899 -1.667 1.00 32.43 O ATOM 1712 CB ILE A 107 -5.831 10.066 -4.496 1.00 11.04 C ATOM 1713 CG1 ILE A 107 -5.831 9.154 -5.767 1.00 72.50 C ATOM 1714 CG2 ILE A 107 -5.833 11.565 -4.899 1.00 31.11 C ATOM 1715 CD1 ILE A 107 -4.599 9.292 -6.656 1.00 11.45 C ATOM 0 H ILE A 107 -5.620 8.013 -2.816 1.00 14.11 H new ATOM 0 HA ILE A 107 -3.708 9.851 -4.150 1.00 33.45 H new ATOM 0 HB ILE A 107 -6.744 9.887 -3.928 1.00 11.04 H new ATOM 0 HG12 ILE A 107 -5.918 8.115 -5.451 1.00 72.50 H new ATOM 0 HG13 ILE A 107 -6.717 9.382 -6.360 1.00 72.50 H new ATOM 0 HG21 ILE A 107 -6.689 11.768 -5.543 1.00 31.11 H new ATOM 0 HG22 ILE A 107 -5.898 12.183 -4.003 1.00 31.11 H new ATOM 0 HG23 ILE A 107 -4.913 11.799 -5.435 1.00 31.11 H new ATOM 0 HD11 ILE A 107 -4.690 8.621 -7.511 1.00 11.45 H new ATOM 0 HD12 ILE A 107 -4.518 10.320 -7.009 1.00 11.45 H new ATOM 0 HD13 ILE A 107 -3.707 9.033 -6.085 1.00 11.45 H new ATOM 1727 N LEU A 108 -3.304 10.995 -1.969 1.00 13.31 N ATOM 1728 CA LEU A 108 -3.024 11.900 -0.851 1.00 4.14 C ATOM 1729 C LEU A 108 -3.113 13.354 -1.318 1.00 42.24 C ATOM 1730 O LEU A 108 -2.214 13.850 -2.003 1.00 73.02 O ATOM 1731 CB LEU A 108 -1.616 11.627 -0.280 1.00 51.02 C ATOM 1732 CG LEU A 108 -1.373 10.206 0.283 1.00 41.21 C ATOM 1733 CD1 LEU A 108 0.079 10.056 0.735 1.00 21.34 C ATOM 1734 CD2 LEU A 108 -2.357 9.879 1.425 1.00 32.42 C ATOM 0 H LEU A 108 -2.466 10.686 -2.462 1.00 13.31 H new ATOM 0 HA LEU A 108 -3.765 11.726 -0.071 1.00 4.14 H new ATOM 0 HB2 LEU A 108 -0.885 11.814 -1.066 1.00 51.02 H new ATOM 0 HB3 LEU A 108 -1.422 12.348 0.514 1.00 51.02 H new ATOM 0 HG LEU A 108 -1.557 9.485 -0.514 1.00 41.21 H new ATOM 0 HD11 LEU A 108 0.236 9.052 1.129 1.00 21.34 H new ATOM 0 HD12 LEU A 108 0.743 10.221 -0.114 1.00 21.34 H new ATOM 0 HD13 LEU A 108 0.295 10.788 1.513 1.00 21.34 H new ATOM 0 HD21 LEU A 108 -2.160 8.874 1.799 1.00 32.42 H new ATOM 0 HD22 LEU A 108 -2.228 10.598 2.234 1.00 32.42 H new ATOM 0 HD23 LEU A 108 -3.379 9.933 1.051 1.00 32.42 H new ATOM 1746 N GLU A 109 -4.205 14.029 -0.971 1.00 23.01 N ATOM 1747 CA GLU A 109 -4.393 15.447 -1.306 1.00 14.31 C ATOM 1748 C GLU A 109 -3.951 16.310 -0.111 1.00 42.34 C ATOM 1749 O GLU A 109 -4.592 16.292 0.945 1.00 31.40 O ATOM 1750 CB GLU A 109 -5.869 15.696 -1.715 1.00 3.02 C ATOM 1751 CG GLU A 109 -6.324 14.783 -2.885 1.00 23.42 C ATOM 1752 CD GLU A 109 -7.680 15.150 -3.507 1.00 72.34 C ATOM 1753 OE1 GLU A 109 -8.721 14.837 -2.912 1.00 1.12 O ATOM 1754 OE2 GLU A 109 -7.705 15.749 -4.607 1.00 73.42 O ATOM 0 H GLU A 109 -4.982 13.617 -0.454 1.00 23.01 H new ATOM 0 HA GLU A 109 -3.776 15.728 -2.159 1.00 14.31 H new ATOM 0 HB2 GLU A 109 -6.515 15.526 -0.854 1.00 3.02 H new ATOM 0 HB3 GLU A 109 -5.991 16.740 -2.004 1.00 3.02 H new ATOM 0 HG2 GLU A 109 -5.564 14.812 -3.665 1.00 23.42 H new ATOM 0 HG3 GLU A 109 -6.373 13.755 -2.526 1.00 23.42 H new ATOM 1761 N LEU A 110 -2.802 17.007 -0.265 1.00 44.14 N ATOM 1762 CA LEU A 110 -2.233 17.908 0.771 1.00 63.02 C ATOM 1763 C LEU A 110 -2.290 19.383 0.295 1.00 63.33 C ATOM 1764 O LEU A 110 -1.400 20.192 0.608 1.00 1.24 O ATOM 1765 CB LEU A 110 -0.768 17.500 1.139 1.00 21.31 C ATOM 1766 CG LEU A 110 -0.545 16.027 1.654 1.00 54.21 C ATOM 1767 CD1 LEU A 110 -0.276 15.041 0.495 1.00 33.00 C ATOM 1768 CD2 LEU A 110 0.572 15.956 2.718 1.00 55.31 C ATOM 0 H LEU A 110 -2.239 16.962 -1.114 1.00 44.14 H new ATOM 0 HA LEU A 110 -2.839 17.810 1.672 1.00 63.02 H new ATOM 0 HB2 LEU A 110 -0.143 17.650 0.259 1.00 21.31 H new ATOM 0 HB3 LEU A 110 -0.408 18.186 1.906 1.00 21.31 H new ATOM 0 HG LEU A 110 -1.475 15.719 2.131 1.00 54.21 H new ATOM 0 HD11 LEU A 110 -0.128 14.039 0.897 1.00 33.00 H new ATOM 0 HD12 LEU A 110 -1.128 15.037 -0.185 1.00 33.00 H new ATOM 0 HD13 LEU A 110 0.618 15.350 -0.046 1.00 33.00 H new ATOM 0 HD21 LEU A 110 0.695 14.924 3.048 1.00 55.31 H new ATOM 0 HD22 LEU A 110 1.507 16.314 2.288 1.00 55.31 H new ATOM 0 HD23 LEU A 110 0.303 16.580 3.570 1.00 55.31 H new