USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 80 GLN : amide:sc=-0.00971 X(o=1.2,f=1.1) USER MOD Set 1.2: A 84 THR OG1 : rot 86:sc= 1.18 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 151:sc= 1.27 (180deg=0.652) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -29:sc= 1.19 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0.225 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0301) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.109 K(o=-0.11,f=-2.4!) USER MOD Single : A 72 SER OG : rot 180:sc= 0.019 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.255 X(o=-0.25,f=-0.5) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc=-0.00905 X(o=-0.009,f=0) USER MOD Single : A 88 THR OG1 : rot -66:sc= 1.28 USER MOD Single : A 90 GLN :FLIP amide:sc= -0.13 F(o=-0.64,f=-0.13) USER MOD Single : A 93 HIS : no HE2:sc= -0.0814 K(o=-0.081,f=-1.8!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ASP A 12 25.278 38.209 18.321 1.00 0.00 N ATOM 45 CA ASP A 12 26.488 38.508 17.620 1.00 0.00 C ATOM 46 C ASP A 12 27.286 37.258 17.481 1.00 0.00 C ATOM 47 O ASP A 12 27.146 36.336 18.282 1.00 0.00 O ATOM 48 CB ASP A 12 27.236 39.586 18.423 1.00 0.00 C ATOM 49 CG ASP A 12 28.362 40.272 17.663 1.00 0.00 C ATOM 50 OD1 ASP A 12 28.472 40.097 16.421 1.00 0.00 O ATOM 51 OD2 ASP A 12 29.142 41.005 18.328 1.00 0.00 O ATOM 0 HA ASP A 12 26.296 38.888 16.616 1.00 0.00 H new ATOM 0 HB2 ASP A 12 26.520 40.342 18.747 1.00 0.00 H new ATOM 0 HB3 ASP A 12 27.648 39.130 19.323 1.00 0.00 H new ATOM 56 N THR A 13 28.152 37.147 16.457 1.00 0.00 N ATOM 57 CA THR A 13 28.971 35.998 16.227 1.00 0.00 C ATOM 58 C THR A 13 30.415 36.361 16.241 1.00 0.00 C ATOM 59 O THR A 13 30.810 37.460 15.851 1.00 0.00 O ATOM 60 CB THR A 13 28.735 35.235 14.957 1.00 0.00 C ATOM 61 OG1 THR A 13 28.603 36.067 13.814 1.00 0.00 O ATOM 62 CG2 THR A 13 27.438 34.418 15.085 1.00 0.00 C ATOM 0 H THR A 13 28.286 37.884 15.765 1.00 0.00 H new ATOM 0 HA THR A 13 28.680 35.343 17.048 1.00 0.00 H new ATOM 0 HB THR A 13 29.611 34.601 14.817 1.00 0.00 H new ATOM 0 HG1 THR A 13 28.453 35.512 13.021 1.00 0.00 H new ATOM 0 HG21 THR A 13 27.265 33.863 14.163 1.00 0.00 H new ATOM 0 HG22 THR A 13 27.528 33.720 15.917 1.00 0.00 H new ATOM 0 HG23 THR A 13 26.600 35.091 15.266 1.00 0.00 H new ATOM 70 N PHE A 14 31.273 35.411 16.652 1.00 0.00 N ATOM 71 CA PHE A 14 32.691 35.574 16.569 1.00 0.00 C ATOM 72 C PHE A 14 33.328 34.250 16.319 1.00 0.00 C ATOM 73 O PHE A 14 32.975 33.214 16.880 1.00 0.00 O ATOM 74 CB PHE A 14 33.353 36.320 17.741 1.00 0.00 C ATOM 75 CG PHE A 14 32.699 36.056 19.053 1.00 0.00 C ATOM 76 CD1 PHE A 14 31.657 36.852 19.469 1.00 0.00 C ATOM 77 CD2 PHE A 14 33.156 35.054 19.877 1.00 0.00 C ATOM 78 CE1 PHE A 14 31.063 36.643 20.690 1.00 0.00 C ATOM 79 CE2 PHE A 14 32.593 34.870 21.118 1.00 0.00 C ATOM 80 CZ PHE A 14 31.536 35.652 21.518 1.00 0.00 C ATOM 0 H PHE A 14 30.979 34.518 17.047 1.00 0.00 H new ATOM 0 HA PHE A 14 32.865 36.243 15.726 1.00 0.00 H new ATOM 0 HB2 PHE A 14 34.402 36.030 17.801 1.00 0.00 H new ATOM 0 HB3 PHE A 14 33.330 37.391 17.540 1.00 0.00 H new ATOM 0 HD1 PHE A 14 31.303 37.648 18.830 1.00 0.00 H new ATOM 0 HD2 PHE A 14 33.959 34.410 19.549 1.00 0.00 H new ATOM 0 HE1 PHE A 14 30.228 37.254 20.998 1.00 0.00 H new ATOM 0 HE2 PHE A 14 32.982 34.110 21.779 1.00 0.00 H new ATOM 0 HZ PHE A 14 31.077 35.488 22.482 1.00 0.00 H new ATOM 90 N GLU A 15 34.299 34.264 15.390 1.00 0.00 N ATOM 91 CA GLU A 15 35.137 33.171 15.008 1.00 0.00 C ATOM 92 C GLU A 15 36.344 33.170 15.882 1.00 0.00 C ATOM 93 O GLU A 15 37.010 34.190 16.055 1.00 0.00 O ATOM 94 CB GLU A 15 35.571 33.278 13.535 1.00 0.00 C ATOM 95 CG GLU A 15 34.460 33.609 12.537 1.00 0.00 C ATOM 96 CD GLU A 15 34.033 35.070 12.494 1.00 0.00 C ATOM 97 OE1 GLU A 15 34.690 35.940 13.125 1.00 0.00 O ATOM 98 OE2 GLU A 15 33.011 35.362 11.819 1.00 0.00 O ATOM 0 H GLU A 15 34.515 35.111 14.863 1.00 0.00 H new ATOM 0 HA GLU A 15 34.575 32.244 15.123 1.00 0.00 H new ATOM 0 HB2 GLU A 15 36.343 34.044 13.458 1.00 0.00 H new ATOM 0 HB3 GLU A 15 36.028 32.333 13.241 1.00 0.00 H new ATOM 0 HG2 GLU A 15 34.791 33.316 11.541 1.00 0.00 H new ATOM 0 HG3 GLU A 15 33.588 33.000 12.775 1.00 0.00 H new ATOM 105 N VAL A 16 36.658 32.022 16.509 1.00 0.00 N ATOM 106 CA VAL A 16 37.710 31.904 17.469 1.00 0.00 C ATOM 107 C VAL A 16 38.809 31.101 16.861 1.00 0.00 C ATOM 108 O VAL A 16 38.782 29.871 16.894 1.00 0.00 O ATOM 109 CB VAL A 16 37.206 31.284 18.738 1.00 0.00 C ATOM 110 CG1 VAL A 16 38.320 30.950 19.744 1.00 0.00 C ATOM 111 CG2 VAL A 16 36.171 32.209 19.402 1.00 0.00 C ATOM 0 H VAL A 16 36.162 31.146 16.342 1.00 0.00 H new ATOM 0 HA VAL A 16 38.090 32.891 17.734 1.00 0.00 H new ATOM 0 HB VAL A 16 36.746 30.338 18.454 1.00 0.00 H new ATOM 0 HG11 VAL A 16 37.882 30.505 20.637 1.00 0.00 H new ATOM 0 HG12 VAL A 16 39.019 30.245 19.293 1.00 0.00 H new ATOM 0 HG13 VAL A 16 38.850 31.863 20.016 1.00 0.00 H new ATOM 0 HG21 VAL A 16 35.811 31.750 20.323 1.00 0.00 H new ATOM 0 HG22 VAL A 16 36.635 33.168 19.632 1.00 0.00 H new ATOM 0 HG23 VAL A 16 35.333 32.365 18.722 1.00 0.00 H new ATOM 121 N GLU A 17 39.821 31.761 16.270 1.00 0.00 N ATOM 122 CA GLU A 17 41.033 31.124 15.855 1.00 0.00 C ATOM 123 C GLU A 17 42.028 31.171 16.964 1.00 0.00 C ATOM 124 O GLU A 17 42.625 32.194 17.295 1.00 0.00 O ATOM 125 CB GLU A 17 41.635 31.696 14.560 1.00 0.00 C ATOM 126 CG GLU A 17 40.932 31.142 13.319 1.00 0.00 C ATOM 127 CD GLU A 17 41.645 31.552 12.039 1.00 0.00 C ATOM 128 OE1 GLU A 17 41.805 32.779 11.800 1.00 0.00 O ATOM 129 OE2 GLU A 17 42.093 30.647 11.286 1.00 0.00 O ATOM 0 H GLU A 17 39.797 32.762 16.076 1.00 0.00 H new ATOM 0 HA GLU A 17 40.775 30.091 15.621 1.00 0.00 H new ATOM 0 HB2 GLU A 17 41.554 32.783 14.570 1.00 0.00 H new ATOM 0 HB3 GLU A 17 42.697 31.456 14.515 1.00 0.00 H new ATOM 0 HG2 GLU A 17 40.890 30.055 13.380 1.00 0.00 H new ATOM 0 HG3 GLU A 17 39.903 31.500 13.293 1.00 0.00 H new ATOM 136 N LEU A 18 42.175 30.017 17.637 1.00 0.00 N ATOM 137 CA LEU A 18 42.900 29.878 18.863 1.00 0.00 C ATOM 138 C LEU A 18 43.951 28.828 18.737 1.00 0.00 C ATOM 139 O LEU A 18 43.753 27.801 18.092 1.00 0.00 O ATOM 140 CB LEU A 18 41.876 29.479 19.939 1.00 0.00 C ATOM 141 CG LEU A 18 42.398 29.426 21.385 1.00 0.00 C ATOM 142 CD1 LEU A 18 42.816 30.819 21.884 1.00 0.00 C ATOM 143 CD2 LEU A 18 41.285 28.818 22.256 1.00 0.00 C ATOM 0 H LEU A 18 41.770 29.139 17.312 1.00 0.00 H new ATOM 0 HA LEU A 18 43.403 30.810 19.123 1.00 0.00 H new ATOM 0 HB2 LEU A 18 41.045 30.184 19.900 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.474 28.498 19.683 1.00 0.00 H new ATOM 0 HG LEU A 18 43.294 28.808 21.441 1.00 0.00 H new ATOM 0 HD11 LEU A 18 43.180 30.744 22.909 1.00 0.00 H new ATOM 0 HD12 LEU A 18 43.608 31.212 21.246 1.00 0.00 H new ATOM 0 HD13 LEU A 18 41.957 31.490 21.852 1.00 0.00 H new ATOM 0 HD21 LEU A 18 41.621 28.765 23.291 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.394 29.442 22.196 1.00 0.00 H new ATOM 0 HD23 LEU A 18 41.050 27.815 21.899 1.00 0.00 H new ATOM 155 N ALA A 19 45.127 29.014 19.364 1.00 0.00 N ATOM 156 CA ALA A 19 46.109 27.982 19.493 1.00 0.00 C ATOM 157 C ALA A 19 46.056 27.409 20.868 1.00 0.00 C ATOM 158 O ALA A 19 45.941 28.143 21.848 1.00 0.00 O ATOM 159 CB ALA A 19 47.509 28.539 19.186 1.00 0.00 C ATOM 0 H ALA A 19 45.401 29.899 19.790 1.00 0.00 H new ATOM 0 HA ALA A 19 45.895 27.189 18.776 1.00 0.00 H new ATOM 0 HB1 ALA A 19 48.247 27.744 19.288 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.531 28.927 18.167 1.00 0.00 H new ATOM 0 HB3 ALA A 19 47.742 29.342 19.885 1.00 0.00 H new ATOM 165 N LYS A 20 46.153 26.077 21.020 1.00 0.00 N ATOM 166 CA LYS A 20 46.278 25.468 22.307 1.00 0.00 C ATOM 167 C LYS A 20 47.600 25.744 22.935 1.00 0.00 C ATOM 168 O LYS A 20 48.603 25.974 22.261 1.00 0.00 O ATOM 169 CB LYS A 20 46.107 23.940 22.255 1.00 0.00 C ATOM 170 CG LYS A 20 44.648 23.480 22.269 1.00 0.00 C ATOM 171 CD LYS A 20 44.477 21.968 22.425 1.00 0.00 C ATOM 172 CE LYS A 20 44.571 21.205 21.100 1.00 0.00 C ATOM 173 NZ LYS A 20 44.296 19.760 21.265 1.00 0.00 N ATOM 0 H LYS A 20 46.145 25.416 20.243 1.00 0.00 H new ATOM 0 HA LYS A 20 45.479 25.911 22.901 1.00 0.00 H new ATOM 0 HB2 LYS A 20 46.589 23.561 21.354 1.00 0.00 H new ATOM 0 HB3 LYS A 20 46.626 23.497 23.105 1.00 0.00 H new ATOM 0 HG2 LYS A 20 44.127 23.981 23.085 1.00 0.00 H new ATOM 0 HG3 LYS A 20 44.168 23.796 21.343 1.00 0.00 H new ATOM 0 HD2 LYS A 20 45.240 21.592 23.107 1.00 0.00 H new ATOM 0 HD3 LYS A 20 43.510 21.765 22.885 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.863 21.629 20.388 1.00 0.00 H new ATOM 0 HE3 LYS A 20 45.567 21.337 20.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 43.891 19.381 20.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 45.182 19.261 21.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 43.621 19.622 22.044 1.00 0.00 H new ATOM 187 N THR A 21 47.659 25.730 24.279 1.00 0.00 N ATOM 188 CA THR A 21 48.879 25.869 25.011 1.00 0.00 C ATOM 189 C THR A 21 48.818 24.949 26.182 1.00 0.00 C ATOM 190 O THR A 21 47.782 24.827 26.834 1.00 0.00 O ATOM 191 CB THR A 21 49.201 27.283 25.396 1.00 0.00 C ATOM 192 OG1 THR A 21 50.408 27.403 26.135 1.00 0.00 O ATOM 193 CG2 THR A 21 48.075 27.953 26.200 1.00 0.00 C ATOM 0 H THR A 21 46.836 25.619 24.872 1.00 0.00 H new ATOM 0 HA THR A 21 49.710 25.590 24.363 1.00 0.00 H new ATOM 0 HB THR A 21 49.319 27.795 24.441 1.00 0.00 H new ATOM 0 HG1 THR A 21 50.565 28.345 26.355 1.00 0.00 H new ATOM 0 HG21 THR A 21 48.364 28.974 26.450 1.00 0.00 H new ATOM 0 HG22 THR A 21 47.163 27.970 25.604 1.00 0.00 H new ATOM 0 HG23 THR A 21 47.898 27.391 27.117 1.00 0.00 H new ATOM 201 N ASP A 22 49.902 24.194 26.429 1.00 0.00 N ATOM 202 CA ASP A 22 50.020 23.150 27.400 1.00 0.00 C ATOM 203 C ASP A 22 48.921 22.147 27.318 1.00 0.00 C ATOM 204 O ASP A 22 48.374 21.673 28.313 1.00 0.00 O ATOM 205 CB ASP A 22 50.249 23.763 28.792 1.00 0.00 C ATOM 206 CG ASP A 22 50.768 22.792 29.842 1.00 0.00 C ATOM 207 OD1 ASP A 22 51.427 21.772 29.505 1.00 0.00 O ATOM 208 OD2 ASP A 22 50.507 23.046 31.049 1.00 0.00 O ATOM 0 H ASP A 22 50.768 24.325 25.906 1.00 0.00 H new ATOM 0 HA ASP A 22 50.903 22.551 27.175 1.00 0.00 H new ATOM 0 HB2 ASP A 22 50.957 24.587 28.698 1.00 0.00 H new ATOM 0 HB3 ASP A 22 49.310 24.189 29.145 1.00 0.00 H new ATOM 213 N GLY A 23 48.508 21.793 26.088 1.00 0.00 N ATOM 214 CA GLY A 23 47.424 20.902 25.808 1.00 0.00 C ATOM 215 C GLY A 23 46.049 21.413 26.063 1.00 0.00 C ATOM 216 O GLY A 23 45.081 20.669 25.912 1.00 0.00 O ATOM 0 H GLY A 23 48.955 22.148 25.243 1.00 0.00 H new ATOM 0 HA2 GLY A 23 47.488 20.609 24.760 1.00 0.00 H new ATOM 0 HA3 GLY A 23 47.566 19.999 26.401 1.00 0.00 H new ATOM 220 N SER A 24 45.894 22.684 26.476 1.00 0.00 N ATOM 221 CA SER A 24 44.665 23.200 26.992 1.00 0.00 C ATOM 222 C SER A 24 44.024 24.225 26.121 1.00 0.00 C ATOM 223 O SER A 24 44.688 25.040 25.481 1.00 0.00 O ATOM 224 CB SER A 24 44.814 23.747 28.422 1.00 0.00 C ATOM 225 OG SER A 24 45.604 24.924 28.510 1.00 0.00 O ATOM 0 H SER A 24 46.646 23.372 26.450 1.00 0.00 H new ATOM 0 HA SER A 24 43.999 22.337 27.012 1.00 0.00 H new ATOM 0 HB2 SER A 24 43.823 23.956 28.825 1.00 0.00 H new ATOM 0 HB3 SER A 24 45.258 22.975 29.051 1.00 0.00 H new ATOM 0 HG SER A 24 46.273 24.923 27.794 1.00 0.00 H new ATOM 231 N LEU A 25 42.680 24.215 26.084 1.00 0.00 N ATOM 232 CA LEU A 25 41.870 25.232 25.489 1.00 0.00 C ATOM 233 C LEU A 25 41.292 26.098 26.555 1.00 0.00 C ATOM 234 O LEU A 25 41.619 27.280 26.647 1.00 0.00 O ATOM 235 CB LEU A 25 40.711 24.623 24.682 1.00 0.00 C ATOM 236 CG LEU A 25 41.135 24.008 23.339 1.00 0.00 C ATOM 237 CD1 LEU A 25 40.018 23.126 22.758 1.00 0.00 C ATOM 238 CD2 LEU A 25 41.528 25.096 22.325 1.00 0.00 C ATOM 0 H LEU A 25 42.130 23.458 26.490 1.00 0.00 H new ATOM 0 HA LEU A 25 42.505 25.813 24.819 1.00 0.00 H new ATOM 0 HB2 LEU A 25 40.228 23.854 25.285 1.00 0.00 H new ATOM 0 HB3 LEU A 25 39.966 25.397 24.496 1.00 0.00 H new ATOM 0 HG LEU A 25 42.008 23.384 23.530 1.00 0.00 H new ATOM 0 HD11 LEU A 25 40.345 22.704 21.808 1.00 0.00 H new ATOM 0 HD12 LEU A 25 39.792 22.319 23.455 1.00 0.00 H new ATOM 0 HD13 LEU A 25 39.124 23.729 22.599 1.00 0.00 H new ATOM 0 HD21 LEU A 25 41.823 24.628 21.386 1.00 0.00 H new ATOM 0 HD22 LEU A 25 40.678 25.755 22.151 1.00 0.00 H new ATOM 0 HD23 LEU A 25 42.362 25.676 22.719 1.00 0.00 H new ATOM 250 N GLY A 26 40.447 25.575 27.461 1.00 0.00 N ATOM 251 CA GLY A 26 39.967 26.279 28.610 1.00 0.00 C ATOM 252 C GLY A 26 38.498 26.524 28.636 1.00 0.00 C ATOM 253 O GLY A 26 38.020 27.276 29.483 1.00 0.00 O ATOM 0 H GLY A 26 40.084 24.624 27.391 1.00 0.00 H new ATOM 0 HA2 GLY A 26 40.241 25.716 29.502 1.00 0.00 H new ATOM 0 HA3 GLY A 26 40.480 27.239 28.669 1.00 0.00 H new ATOM 257 N ILE A 27 37.717 25.893 27.740 1.00 0.00 N ATOM 258 CA ILE A 27 36.289 25.945 27.730 1.00 0.00 C ATOM 259 C ILE A 27 35.701 24.716 28.334 1.00 0.00 C ATOM 260 O ILE A 27 36.061 23.594 27.983 1.00 0.00 O ATOM 261 CB ILE A 27 35.722 26.111 26.351 1.00 0.00 C ATOM 262 CG1 ILE A 27 36.508 25.342 25.275 1.00 0.00 C ATOM 263 CG2 ILE A 27 35.664 27.617 26.040 1.00 0.00 C ATOM 264 CD1 ILE A 27 35.772 25.277 23.937 1.00 0.00 C ATOM 0 H ILE A 27 38.100 25.320 26.988 1.00 0.00 H new ATOM 0 HA ILE A 27 36.024 26.821 28.322 1.00 0.00 H new ATOM 0 HB ILE A 27 34.722 25.678 26.330 1.00 0.00 H new ATOM 0 HG12 ILE A 27 37.477 25.819 25.129 1.00 0.00 H new ATOM 0 HG13 ILE A 27 36.702 24.329 25.628 1.00 0.00 H new ATOM 0 HG21 ILE A 27 35.255 27.767 25.041 1.00 0.00 H new ATOM 0 HG22 ILE A 27 35.028 28.115 26.771 1.00 0.00 H new ATOM 0 HG23 ILE A 27 36.669 28.037 26.087 1.00 0.00 H new ATOM 0 HD11 ILE A 27 36.374 24.723 23.217 1.00 0.00 H new ATOM 0 HD12 ILE A 27 34.814 24.774 24.073 1.00 0.00 H new ATOM 0 HD13 ILE A 27 35.602 26.288 23.566 1.00 0.00 H new ATOM 276 N SER A 28 34.737 24.878 29.258 1.00 0.00 N ATOM 277 CA SER A 28 33.924 23.808 29.748 1.00 0.00 C ATOM 278 C SER A 28 32.532 24.001 29.254 1.00 0.00 C ATOM 279 O SER A 28 31.928 25.044 29.495 1.00 0.00 O ATOM 280 CB SER A 28 33.942 23.716 31.283 1.00 0.00 C ATOM 281 OG SER A 28 33.362 22.505 31.744 1.00 0.00 O ATOM 0 H SER A 28 34.516 25.781 29.677 1.00 0.00 H new ATOM 0 HA SER A 28 34.331 22.868 29.376 1.00 0.00 H new ATOM 0 HB2 SER A 28 34.970 23.786 31.640 1.00 0.00 H new ATOM 0 HB3 SER A 28 33.400 24.563 31.705 1.00 0.00 H new ATOM 0 HG SER A 28 33.392 22.480 32.723 1.00 0.00 H new ATOM 287 N VAL A 29 31.978 23.024 28.514 1.00 0.00 N ATOM 288 CA VAL A 29 30.711 23.119 27.857 1.00 0.00 C ATOM 289 C VAL A 29 29.641 22.338 28.539 1.00 0.00 C ATOM 290 O VAL A 29 29.895 21.521 29.422 1.00 0.00 O ATOM 291 CB VAL A 29 30.781 22.750 26.405 1.00 0.00 C ATOM 292 CG1 VAL A 29 31.700 23.740 25.670 1.00 0.00 C ATOM 293 CG2 VAL A 29 31.272 21.307 26.202 1.00 0.00 C ATOM 0 H VAL A 29 32.436 22.124 28.367 1.00 0.00 H new ATOM 0 HA VAL A 29 30.441 24.173 27.921 1.00 0.00 H new ATOM 0 HB VAL A 29 29.774 22.806 25.991 1.00 0.00 H new ATOM 0 HG11 VAL A 29 31.752 23.473 24.614 1.00 0.00 H new ATOM 0 HG12 VAL A 29 31.301 24.750 25.770 1.00 0.00 H new ATOM 0 HG13 VAL A 29 32.699 23.700 26.104 1.00 0.00 H new ATOM 0 HG21 VAL A 29 31.308 21.081 25.136 1.00 0.00 H new ATOM 0 HG22 VAL A 29 32.269 21.198 26.630 1.00 0.00 H new ATOM 0 HG23 VAL A 29 30.588 20.617 26.696 1.00 0.00 H new ATOM 303 N THR A 30 28.369 22.592 28.183 1.00 0.00 N ATOM 304 CA THR A 30 27.213 21.955 28.734 1.00 0.00 C ATOM 305 C THR A 30 26.139 21.882 27.703 1.00 0.00 C ATOM 306 O THR A 30 26.176 22.612 26.714 1.00 0.00 O ATOM 307 CB THR A 30 26.710 22.679 29.947 1.00 0.00 C ATOM 308 OG1 THR A 30 25.815 21.904 30.732 1.00 0.00 O ATOM 309 CG2 THR A 30 26.020 24.019 29.640 1.00 0.00 C ATOM 0 H THR A 30 28.134 23.282 27.469 1.00 0.00 H new ATOM 0 HA THR A 30 27.497 20.948 29.041 1.00 0.00 H new ATOM 0 HB THR A 30 27.624 22.872 30.508 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.523 22.427 31.508 1.00 0.00 H new ATOM 0 HG21 THR A 30 25.686 24.478 30.571 1.00 0.00 H new ATOM 0 HG22 THR A 30 26.724 24.684 29.140 1.00 0.00 H new ATOM 0 HG23 THR A 30 25.161 23.846 28.992 1.00 0.00 H new ATOM 317 N GLY A 31 25.122 21.023 27.891 1.00 0.00 N ATOM 318 CA GLY A 31 23.887 21.088 27.172 1.00 0.00 C ATOM 319 C GLY A 31 23.620 19.960 26.236 1.00 0.00 C ATOM 320 O GLY A 31 23.768 18.782 26.557 1.00 0.00 O ATOM 0 H GLY A 31 25.160 20.258 28.565 1.00 0.00 H new ATOM 0 HA2 GLY A 31 23.071 21.138 27.893 1.00 0.00 H new ATOM 0 HA3 GLY A 31 23.868 22.018 26.604 1.00 0.00 H new ATOM 324 N GLY A 32 23.154 20.299 25.020 1.00 0.00 N ATOM 325 CA GLY A 32 22.774 19.366 24.005 1.00 0.00 C ATOM 326 C GLY A 32 21.335 18.980 24.064 1.00 0.00 C ATOM 327 O GLY A 32 20.606 19.318 24.995 1.00 0.00 O ATOM 0 H GLY A 32 23.037 21.270 24.731 1.00 0.00 H new ATOM 0 HA2 GLY A 32 22.987 19.798 23.027 1.00 0.00 H new ATOM 0 HA3 GLY A 32 23.387 18.470 24.098 1.00 0.00 H new ATOM 331 N VAL A 33 20.857 18.227 23.057 1.00 0.00 N ATOM 332 CA VAL A 33 19.478 17.876 22.914 1.00 0.00 C ATOM 333 C VAL A 33 18.962 16.855 23.869 1.00 0.00 C ATOM 334 O VAL A 33 17.759 16.790 24.118 1.00 0.00 O ATOM 335 CB VAL A 33 19.164 17.412 21.523 1.00 0.00 C ATOM 336 CG1 VAL A 33 19.359 18.573 20.533 1.00 0.00 C ATOM 337 CG2 VAL A 33 20.012 16.201 21.104 1.00 0.00 C ATOM 0 H VAL A 33 21.450 17.850 22.318 1.00 0.00 H new ATOM 0 HA VAL A 33 18.968 18.811 23.147 1.00 0.00 H new ATOM 0 HB VAL A 33 18.123 17.088 21.510 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.130 18.232 19.523 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.693 19.394 20.799 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.393 18.917 20.574 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.746 15.904 20.089 1.00 0.00 H new ATOM 0 HG22 VAL A 33 21.068 16.467 21.139 1.00 0.00 H new ATOM 0 HG23 VAL A 33 19.824 15.372 21.786 1.00 0.00 H new ATOM 450 N GLY A 41 20.902 23.112 22.748 1.00 0.00 N ATOM 451 CA GLY A 41 22.032 23.916 22.399 1.00 0.00 C ATOM 452 C GLY A 41 23.204 23.551 23.243 1.00 0.00 C ATOM 453 O GLY A 41 23.039 23.030 24.345 1.00 0.00 O ATOM 0 HA2 GLY A 41 22.276 23.776 21.346 1.00 0.00 H new ATOM 0 HA3 GLY A 41 21.792 24.971 22.533 1.00 0.00 H new ATOM 457 N ILE A 42 24.426 23.805 22.742 1.00 0.00 N ATOM 458 CA ILE A 42 25.646 23.613 23.462 1.00 0.00 C ATOM 459 C ILE A 42 26.078 24.947 23.964 1.00 0.00 C ATOM 460 O ILE A 42 26.233 25.891 23.190 1.00 0.00 O ATOM 461 CB ILE A 42 26.713 22.985 22.615 1.00 0.00 C ATOM 462 CG1 ILE A 42 26.284 21.619 22.052 1.00 0.00 C ATOM 463 CG2 ILE A 42 28.041 22.855 23.378 1.00 0.00 C ATOM 464 CD1 ILE A 42 26.183 20.495 23.081 1.00 0.00 C ATOM 0 H ILE A 42 24.570 24.159 21.796 1.00 0.00 H new ATOM 0 HA ILE A 42 25.479 22.922 24.288 1.00 0.00 H new ATOM 0 HB ILE A 42 26.866 23.657 21.771 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.315 21.732 21.565 1.00 0.00 H new ATOM 0 HG13 ILE A 42 26.995 21.322 21.281 1.00 0.00 H new ATOM 0 HG21 ILE A 42 28.789 22.396 22.731 1.00 0.00 H new ATOM 0 HG22 ILE A 42 28.383 23.844 23.684 1.00 0.00 H new ATOM 0 HG23 ILE A 42 27.894 22.233 24.261 1.00 0.00 H new ATOM 0 HD11 ILE A 42 25.874 19.575 22.585 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.154 20.345 23.553 1.00 0.00 H new ATOM 0 HD13 ILE A 42 25.448 20.762 23.841 1.00 0.00 H new ATOM 476 N TYR A 43 26.269 25.096 25.288 1.00 0.00 N ATOM 477 CA TYR A 43 26.595 26.346 25.900 1.00 0.00 C ATOM 478 C TYR A 43 27.861 26.236 26.679 1.00 0.00 C ATOM 479 O TYR A 43 28.254 25.152 27.107 1.00 0.00 O ATOM 480 CB TYR A 43 25.512 26.804 26.891 1.00 0.00 C ATOM 481 CG TYR A 43 24.240 27.165 26.204 1.00 0.00 C ATOM 482 CD1 TYR A 43 24.134 28.371 25.552 1.00 0.00 C ATOM 483 CD2 TYR A 43 23.142 26.340 26.276 1.00 0.00 C ATOM 484 CE1 TYR A 43 22.937 28.763 25.000 1.00 0.00 C ATOM 485 CE2 TYR A 43 21.941 26.723 25.724 1.00 0.00 C ATOM 486 CZ TYR A 43 21.838 27.940 25.093 1.00 0.00 C ATOM 487 OH TYR A 43 20.602 28.376 24.571 1.00 0.00 O ATOM 0 H TYR A 43 26.194 24.324 25.951 1.00 0.00 H new ATOM 0 HA TYR A 43 26.687 27.064 25.085 1.00 0.00 H new ATOM 0 HB2 TYR A 43 25.321 26.009 27.612 1.00 0.00 H new ATOM 0 HB3 TYR A 43 25.876 27.664 27.454 1.00 0.00 H new ATOM 0 HD1 TYR A 43 24.997 29.015 25.473 1.00 0.00 H new ATOM 0 HD2 TYR A 43 23.223 25.383 26.770 1.00 0.00 H new ATOM 0 HE1 TYR A 43 22.860 29.714 24.495 1.00 0.00 H new ATOM 0 HE2 TYR A 43 21.083 26.070 25.786 1.00 0.00 H new ATOM 0 HH TYR A 43 19.924 27.683 24.713 1.00 0.00 H new ATOM 497 N VAL A 44 28.557 27.361 26.923 1.00 0.00 N ATOM 498 CA VAL A 44 29.645 27.425 27.849 1.00 0.00 C ATOM 499 C VAL A 44 29.175 27.452 29.263 1.00 0.00 C ATOM 500 O VAL A 44 28.365 28.299 29.636 1.00 0.00 O ATOM 501 CB VAL A 44 30.579 28.567 27.581 1.00 0.00 C ATOM 502 CG1 VAL A 44 31.806 28.532 28.508 1.00 0.00 C ATOM 503 CG2 VAL A 44 31.064 28.460 26.124 1.00 0.00 C ATOM 0 H VAL A 44 28.358 28.250 26.464 1.00 0.00 H new ATOM 0 HA VAL A 44 30.211 26.506 27.696 1.00 0.00 H new ATOM 0 HB VAL A 44 30.044 29.499 27.761 1.00 0.00 H new ATOM 0 HG11 VAL A 44 32.457 29.376 28.281 1.00 0.00 H new ATOM 0 HG12 VAL A 44 31.480 28.594 29.546 1.00 0.00 H new ATOM 0 HG13 VAL A 44 32.352 27.601 28.354 1.00 0.00 H new ATOM 0 HG21 VAL A 44 31.746 29.282 25.906 1.00 0.00 H new ATOM 0 HG22 VAL A 44 31.582 27.512 25.982 1.00 0.00 H new ATOM 0 HG23 VAL A 44 30.208 28.511 25.451 1.00 0.00 H new ATOM 513 N LYS A 45 29.648 26.537 30.126 1.00 0.00 N ATOM 514 CA LYS A 45 29.363 26.562 31.528 1.00 0.00 C ATOM 515 C LYS A 45 30.436 27.232 32.315 1.00 0.00 C ATOM 516 O LYS A 45 30.134 27.919 33.289 1.00 0.00 O ATOM 517 CB LYS A 45 29.044 25.185 32.134 1.00 0.00 C ATOM 518 CG LYS A 45 30.141 24.123 32.036 1.00 0.00 C ATOM 519 CD LYS A 45 30.056 23.025 33.099 1.00 0.00 C ATOM 520 CE LYS A 45 28.982 21.957 32.886 1.00 0.00 C ATOM 521 NZ LYS A 45 29.141 20.913 33.923 1.00 0.00 N ATOM 0 H LYS A 45 30.244 25.759 29.843 1.00 0.00 H new ATOM 0 HA LYS A 45 28.451 27.155 31.602 1.00 0.00 H new ATOM 0 HB2 LYS A 45 28.798 25.325 33.187 1.00 0.00 H new ATOM 0 HB3 LYS A 45 28.150 24.797 31.646 1.00 0.00 H new ATOM 0 HG2 LYS A 45 30.095 23.661 31.050 1.00 0.00 H new ATOM 0 HG3 LYS A 45 31.112 24.613 32.114 1.00 0.00 H new ATOM 0 HD2 LYS A 45 31.025 22.529 33.157 1.00 0.00 H new ATOM 0 HD3 LYS A 45 29.882 23.497 34.066 1.00 0.00 H new ATOM 0 HE2 LYS A 45 27.989 22.402 32.947 1.00 0.00 H new ATOM 0 HE3 LYS A 45 29.075 21.520 31.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 28.416 20.179 33.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 30.086 20.485 33.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 29.033 21.340 34.865 1.00 0.00 H new ATOM 535 N ALA A 46 31.721 27.092 31.941 1.00 0.00 N ATOM 536 CA ALA A 46 32.789 27.648 32.712 1.00 0.00 C ATOM 537 C ALA A 46 34.014 27.877 31.895 1.00 0.00 C ATOM 538 O ALA A 46 34.206 27.257 30.850 1.00 0.00 O ATOM 539 CB ALA A 46 33.133 26.738 33.904 1.00 0.00 C ATOM 0 H ALA A 46 32.020 26.593 31.103 1.00 0.00 H new ATOM 0 HA ALA A 46 32.440 28.614 33.077 1.00 0.00 H new ATOM 0 HB1 ALA A 46 33.948 27.181 34.476 1.00 0.00 H new ATOM 0 HB2 ALA A 46 32.257 26.630 34.544 1.00 0.00 H new ATOM 0 HB3 ALA A 46 33.438 25.758 33.537 1.00 0.00 H new ATOM 545 N ILE A 47 34.891 28.783 32.365 1.00 0.00 N ATOM 546 CA ILE A 47 36.162 29.089 31.786 1.00 0.00 C ATOM 547 C ILE A 47 37.251 28.738 32.740 1.00 0.00 C ATOM 548 O ILE A 47 37.262 29.121 33.909 1.00 0.00 O ATOM 549 CB ILE A 47 36.210 30.475 31.214 1.00 0.00 C ATOM 550 CG1 ILE A 47 36.779 30.467 29.785 1.00 0.00 C ATOM 551 CG2 ILE A 47 36.968 31.518 32.053 1.00 0.00 C ATOM 552 CD1 ILE A 47 35.841 29.867 28.739 1.00 0.00 C ATOM 0 H ILE A 47 34.699 29.335 33.201 1.00 0.00 H new ATOM 0 HA ILE A 47 36.328 28.463 30.909 1.00 0.00 H new ATOM 0 HB ILE A 47 35.167 30.790 31.217 1.00 0.00 H new ATOM 0 HG12 ILE A 47 37.019 31.490 29.496 1.00 0.00 H new ATOM 0 HG13 ILE A 47 37.714 29.907 29.782 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.940 32.483 31.546 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.498 31.608 33.032 1.00 0.00 H new ATOM 0 HG23 ILE A 47 38.004 31.203 32.176 1.00 0.00 H new ATOM 0 HD11 ILE A 47 36.319 29.900 27.760 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.620 28.832 29.000 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.914 30.440 28.710 1.00 0.00 H new ATOM 564 N ILE A 48 38.185 27.874 32.304 1.00 0.00 N ATOM 565 CA ILE A 48 39.267 27.347 33.077 1.00 0.00 C ATOM 566 C ILE A 48 40.391 28.306 33.266 1.00 0.00 C ATOM 567 O ILE A 48 40.970 28.686 32.249 1.00 0.00 O ATOM 568 CB ILE A 48 39.791 26.061 32.509 1.00 0.00 C ATOM 569 CG1 ILE A 48 38.654 25.106 32.110 1.00 0.00 C ATOM 570 CG2 ILE A 48 40.765 25.380 33.486 1.00 0.00 C ATOM 571 CD1 ILE A 48 37.759 24.623 33.250 1.00 0.00 C ATOM 0 H ILE A 48 38.183 27.520 31.347 1.00 0.00 H new ATOM 0 HA ILE A 48 38.836 27.155 34.060 1.00 0.00 H new ATOM 0 HB ILE A 48 40.340 26.310 31.601 1.00 0.00 H new ATOM 0 HG12 ILE A 48 38.029 25.605 31.369 1.00 0.00 H new ATOM 0 HG13 ILE A 48 39.091 24.235 31.623 1.00 0.00 H new ATOM 0 HG21 ILE A 48 41.129 24.450 33.048 1.00 0.00 H new ATOM 0 HG22 ILE A 48 41.608 26.043 33.681 1.00 0.00 H new ATOM 0 HG23 ILE A 48 40.250 25.163 34.422 1.00 0.00 H new ATOM 0 HD11 ILE A 48 36.993 23.956 32.854 1.00 0.00 H new ATOM 0 HD12 ILE A 48 38.362 24.088 33.984 1.00 0.00 H new ATOM 0 HD13 ILE A 48 37.283 25.480 33.727 1.00 0.00 H new ATOM 583 N PRO A 49 40.809 28.739 34.417 1.00 0.00 N ATOM 584 CA PRO A 49 41.792 29.774 34.558 1.00 0.00 C ATOM 585 C PRO A 49 43.149 29.390 34.077 1.00 0.00 C ATOM 586 O PRO A 49 43.714 28.395 34.530 1.00 0.00 O ATOM 587 CB PRO A 49 41.786 30.131 36.043 1.00 0.00 C ATOM 588 CG PRO A 49 41.282 28.855 36.737 1.00 0.00 C ATOM 589 CD PRO A 49 40.281 28.313 35.705 1.00 0.00 C ATOM 0 HA PRO A 49 41.539 30.626 33.928 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.782 30.406 36.390 1.00 0.00 H new ATOM 0 HB3 PRO A 49 41.132 30.979 36.246 1.00 0.00 H new ATOM 0 HG2 PRO A 49 42.090 28.150 36.933 1.00 0.00 H new ATOM 0 HG3 PRO A 49 40.807 29.070 37.694 1.00 0.00 H new ATOM 0 HD2 PRO A 49 40.203 27.227 35.761 1.00 0.00 H new ATOM 0 HD3 PRO A 49 39.282 28.713 35.875 1.00 0.00 H new ATOM 597 N LYS A 50 43.696 30.195 33.147 1.00 0.00 N ATOM 598 CA LYS A 50 44.922 30.046 32.428 1.00 0.00 C ATOM 599 C LYS A 50 44.833 29.088 31.289 1.00 0.00 C ATOM 600 O LYS A 50 45.824 28.496 30.864 1.00 0.00 O ATOM 601 CB LYS A 50 46.182 29.868 33.291 1.00 0.00 C ATOM 602 CG LYS A 50 46.458 31.052 34.219 1.00 0.00 C ATOM 603 CD LYS A 50 46.956 32.315 33.514 1.00 0.00 C ATOM 604 CE LYS A 50 48.438 32.312 33.133 1.00 0.00 C ATOM 605 NZ LYS A 50 49.276 32.461 34.345 1.00 0.00 N ATOM 0 H LYS A 50 43.217 31.052 32.870 1.00 0.00 H new ATOM 0 HA LYS A 50 45.069 31.027 31.977 1.00 0.00 H new ATOM 0 HB2 LYS A 50 46.078 28.964 33.890 1.00 0.00 H new ATOM 0 HB3 LYS A 50 47.042 29.720 32.638 1.00 0.00 H new ATOM 0 HG2 LYS A 50 45.543 31.292 34.761 1.00 0.00 H new ATOM 0 HG3 LYS A 50 47.198 30.750 34.960 1.00 0.00 H new ATOM 0 HD2 LYS A 50 46.366 32.463 32.609 1.00 0.00 H new ATOM 0 HD3 LYS A 50 46.766 33.171 34.162 1.00 0.00 H new ATOM 0 HE2 LYS A 50 48.688 31.383 32.621 1.00 0.00 H new ATOM 0 HE3 LYS A 50 48.644 33.125 32.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 50.269 32.594 34.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 48.956 33.287 34.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 49.193 31.607 34.932 1.00 0.00 H new ATOM 619 N GLY A 51 43.643 28.955 30.676 1.00 0.00 N ATOM 620 CA GLY A 51 43.510 28.374 29.376 1.00 0.00 C ATOM 621 C GLY A 51 43.739 29.350 28.273 1.00 0.00 C ATOM 622 O GLY A 51 43.680 30.566 28.447 1.00 0.00 O ATOM 0 H GLY A 51 42.760 29.255 31.089 1.00 0.00 H new ATOM 0 HA2 GLY A 51 44.218 27.551 29.278 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.512 27.949 29.275 1.00 0.00 H new ATOM 626 N ALA A 52 43.989 28.833 27.057 1.00 0.00 N ATOM 627 CA ALA A 52 43.982 29.530 25.809 1.00 0.00 C ATOM 628 C ALA A 52 42.778 30.373 25.568 1.00 0.00 C ATOM 629 O ALA A 52 42.848 31.587 25.381 1.00 0.00 O ATOM 630 CB ALA A 52 44.172 28.501 24.682 1.00 0.00 C ATOM 0 H ALA A 52 44.215 27.845 26.939 1.00 0.00 H new ATOM 0 HA ALA A 52 44.805 30.245 25.835 1.00 0.00 H new ATOM 0 HB1 ALA A 52 44.170 29.012 23.719 1.00 0.00 H new ATOM 0 HB2 ALA A 52 45.123 27.985 24.817 1.00 0.00 H new ATOM 0 HB3 ALA A 52 43.358 27.776 24.710 1.00 0.00 H new ATOM 636 N ALA A 53 41.601 29.722 25.558 1.00 0.00 N ATOM 637 CA ALA A 53 40.282 30.230 25.341 1.00 0.00 C ATOM 638 C ALA A 53 39.868 31.202 26.392 1.00 0.00 C ATOM 639 O ALA A 53 39.347 32.276 26.097 1.00 0.00 O ATOM 640 CB ALA A 53 39.262 29.079 25.347 1.00 0.00 C ATOM 0 H ALA A 53 41.576 28.716 25.723 1.00 0.00 H new ATOM 0 HA ALA A 53 40.303 30.736 24.376 1.00 0.00 H new ATOM 0 HB1 ALA A 53 38.262 29.479 25.181 1.00 0.00 H new ATOM 0 HB2 ALA A 53 39.507 28.372 24.554 1.00 0.00 H new ATOM 0 HB3 ALA A 53 39.294 28.570 26.310 1.00 0.00 H new ATOM 646 N GLU A 54 40.123 30.821 27.657 1.00 0.00 N ATOM 647 CA GLU A 54 39.978 31.652 28.811 1.00 0.00 C ATOM 648 C GLU A 54 40.494 33.040 28.655 1.00 0.00 C ATOM 649 O GLU A 54 39.753 34.022 28.654 1.00 0.00 O ATOM 650 CB GLU A 54 40.663 31.020 30.033 1.00 0.00 C ATOM 651 CG GLU A 54 40.316 31.727 31.345 1.00 0.00 C ATOM 652 CD GLU A 54 41.289 32.754 31.907 1.00 0.00 C ATOM 653 OE1 GLU A 54 42.443 32.392 32.261 1.00 0.00 O ATOM 654 OE2 GLU A 54 40.859 33.923 32.099 1.00 0.00 O ATOM 0 H GLU A 54 40.448 29.882 27.886 1.00 0.00 H new ATOM 0 HA GLU A 54 38.900 31.725 28.952 1.00 0.00 H new ATOM 0 HB2 GLU A 54 40.373 29.972 30.104 1.00 0.00 H new ATOM 0 HB3 GLU A 54 41.743 31.043 29.889 1.00 0.00 H new ATOM 0 HG2 GLU A 54 39.356 32.224 31.208 1.00 0.00 H new ATOM 0 HG3 GLU A 54 40.172 30.959 32.105 1.00 0.00 H new ATOM 661 N SER A 55 41.824 33.144 28.486 1.00 0.00 N ATOM 662 CA SER A 55 42.516 34.394 28.408 1.00 0.00 C ATOM 663 C SER A 55 42.204 35.187 27.185 1.00 0.00 C ATOM 664 O SER A 55 42.250 36.416 27.209 1.00 0.00 O ATOM 665 CB SER A 55 44.031 34.151 28.516 1.00 0.00 C ATOM 666 OG SER A 55 44.770 35.344 28.734 1.00 0.00 O ATOM 0 H SER A 55 42.438 32.334 28.401 1.00 0.00 H new ATOM 0 HA SER A 55 42.164 34.996 29.246 1.00 0.00 H new ATOM 0 HB2 SER A 55 44.225 33.456 29.333 1.00 0.00 H new ATOM 0 HB3 SER A 55 44.383 33.674 27.601 1.00 0.00 H new ATOM 0 HG SER A 55 45.725 35.131 28.796 1.00 0.00 H new ATOM 672 N ASP A 56 41.816 34.545 26.069 1.00 0.00 N ATOM 673 CA ASP A 56 41.384 35.185 24.865 1.00 0.00 C ATOM 674 C ASP A 56 40.216 36.079 25.102 1.00 0.00 C ATOM 675 O ASP A 56 40.286 37.285 24.868 1.00 0.00 O ATOM 676 CB ASP A 56 41.094 34.160 23.755 1.00 0.00 C ATOM 677 CG ASP A 56 40.974 34.797 22.379 1.00 0.00 C ATOM 678 OD1 ASP A 56 39.908 35.380 22.047 1.00 0.00 O ATOM 679 OD2 ASP A 56 41.970 34.741 21.609 1.00 0.00 O ATOM 0 H ASP A 56 41.803 33.527 26.003 1.00 0.00 H new ATOM 0 HA ASP A 56 42.205 35.814 24.523 1.00 0.00 H new ATOM 0 HB2 ASP A 56 41.890 33.416 23.737 1.00 0.00 H new ATOM 0 HB3 ASP A 56 40.169 33.632 23.987 1.00 0.00 H new ATOM 684 N GLY A 57 39.109 35.549 25.651 1.00 0.00 N ATOM 685 CA GLY A 57 38.158 36.375 26.327 1.00 0.00 C ATOM 686 C GLY A 57 37.023 36.841 25.480 1.00 0.00 C ATOM 687 O GLY A 57 36.136 37.539 25.968 1.00 0.00 O ATOM 0 H GLY A 57 38.873 34.557 25.628 1.00 0.00 H new ATOM 0 HA2 GLY A 57 37.756 35.823 27.176 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.675 37.246 26.729 1.00 0.00 H new ATOM 691 N ARG A 58 36.969 36.410 24.207 1.00 0.00 N ATOM 692 CA ARG A 58 35.794 36.405 23.391 1.00 0.00 C ATOM 693 C ARG A 58 34.696 35.641 24.049 1.00 0.00 C ATOM 694 O ARG A 58 33.549 36.082 24.107 1.00 0.00 O ATOM 695 CB ARG A 58 36.104 35.744 22.039 1.00 0.00 C ATOM 696 CG ARG A 58 36.927 36.631 21.102 1.00 0.00 C ATOM 697 CD ARG A 58 37.353 35.889 19.834 1.00 0.00 C ATOM 698 NE ARG A 58 38.052 36.869 18.955 1.00 0.00 N ATOM 699 CZ ARG A 58 39.385 36.806 18.667 1.00 0.00 C ATOM 700 NH1 ARG A 58 40.270 36.043 19.370 1.00 0.00 N ATOM 701 NH2 ARG A 58 39.867 37.557 17.633 1.00 0.00 N ATOM 0 H ARG A 58 37.789 36.046 23.721 1.00 0.00 H new ATOM 0 HA ARG A 58 35.479 37.438 23.246 1.00 0.00 H new ATOM 0 HB2 ARG A 58 36.644 34.813 22.214 1.00 0.00 H new ATOM 0 HB3 ARG A 58 35.167 35.481 21.548 1.00 0.00 H new ATOM 0 HG2 ARG A 58 36.342 37.509 20.828 1.00 0.00 H new ATOM 0 HG3 ARG A 58 37.813 36.989 21.627 1.00 0.00 H new ATOM 0 HD2 ARG A 58 38.012 35.056 20.080 1.00 0.00 H new ATOM 0 HD3 ARG A 58 36.485 35.469 19.326 1.00 0.00 H new ATOM 0 HE ARG A 58 37.505 37.627 18.547 1.00 0.00 H new ATOM 0 HH11 ARG A 58 39.946 35.480 20.157 1.00 0.00 H new ATOM 0 HH12 ARG A 58 41.256 36.035 19.109 1.00 0.00 H new ATOM 0 HH21 ARG A 58 39.235 38.149 17.094 1.00 0.00 H new ATOM 0 HH22 ARG A 58 40.859 37.526 17.399 1.00 0.00 H new ATOM 715 N ILE A 59 35.064 34.472 24.602 1.00 0.00 N ATOM 716 CA ILE A 59 34.225 33.499 25.229 1.00 0.00 C ATOM 717 C ILE A 59 33.923 33.859 26.643 1.00 0.00 C ATOM 718 O ILE A 59 34.806 34.187 27.433 1.00 0.00 O ATOM 719 CB ILE A 59 34.866 32.147 25.134 1.00 0.00 C ATOM 720 CG1 ILE A 59 35.103 31.768 23.663 1.00 0.00 C ATOM 721 CG2 ILE A 59 33.981 31.088 25.813 1.00 0.00 C ATOM 722 CD1 ILE A 59 36.047 30.583 23.464 1.00 0.00 C ATOM 0 H ILE A 59 36.042 34.183 24.610 1.00 0.00 H new ATOM 0 HA ILE A 59 33.270 33.475 24.703 1.00 0.00 H new ATOM 0 HB ILE A 59 35.828 32.185 25.646 1.00 0.00 H new ATOM 0 HG12 ILE A 59 34.144 31.535 23.201 1.00 0.00 H new ATOM 0 HG13 ILE A 59 35.508 32.633 23.138 1.00 0.00 H new ATOM 0 HG21 ILE A 59 34.459 30.111 25.736 1.00 0.00 H new ATOM 0 HG22 ILE A 59 33.847 31.345 26.864 1.00 0.00 H new ATOM 0 HG23 ILE A 59 33.009 31.056 25.321 1.00 0.00 H new ATOM 0 HD11 ILE A 59 36.159 30.382 22.399 1.00 0.00 H new ATOM 0 HD12 ILE A 59 37.021 30.817 23.894 1.00 0.00 H new ATOM 0 HD13 ILE A 59 35.635 29.703 23.958 1.00 0.00 H new ATOM 734 N HIS A 60 32.630 33.804 27.010 1.00 0.00 N ATOM 735 CA HIS A 60 32.069 33.993 28.312 1.00 0.00 C ATOM 736 C HIS A 60 31.291 32.780 28.692 1.00 0.00 C ATOM 737 O HIS A 60 30.770 32.039 27.861 1.00 0.00 O ATOM 738 CB HIS A 60 31.075 35.165 28.366 1.00 0.00 C ATOM 739 CG HIS A 60 31.717 36.509 28.538 1.00 0.00 C ATOM 740 ND1 HIS A 60 31.571 37.278 29.674 1.00 0.00 N ATOM 741 CD2 HIS A 60 32.498 37.238 27.695 1.00 0.00 C ATOM 742 CE1 HIS A 60 32.275 38.423 29.469 1.00 0.00 C ATOM 743 NE2 HIS A 60 32.848 38.437 28.280 1.00 0.00 N ATOM 0 H HIS A 60 31.905 33.606 26.321 1.00 0.00 H new ATOM 0 HA HIS A 60 32.906 34.191 28.981 1.00 0.00 H new ATOM 0 HB2 HIS A 60 30.487 35.171 27.448 1.00 0.00 H new ATOM 0 HB3 HIS A 60 30.380 34.999 29.189 1.00 0.00 H new ATOM 0 HD2 HIS A 60 32.801 36.922 26.708 1.00 0.00 H new ATOM 0 HE1 HIS A 60 32.355 39.223 30.190 1.00 0.00 H new ATOM 0 HE2 HIS A 60 33.426 39.176 27.880 1.00 0.00 H new ATOM 751 N LYS A 61 31.122 32.540 30.005 1.00 0.00 N ATOM 752 CA LYS A 61 30.272 31.490 30.471 1.00 0.00 C ATOM 753 C LYS A 61 28.831 31.829 30.292 1.00 0.00 C ATOM 754 O LYS A 61 28.263 32.698 30.952 1.00 0.00 O ATOM 755 CB LYS A 61 30.646 31.023 31.887 1.00 0.00 C ATOM 756 CG LYS A 61 30.443 32.006 33.042 1.00 0.00 C ATOM 757 CD LYS A 61 31.142 31.507 34.308 1.00 0.00 C ATOM 758 CE LYS A 61 30.546 32.026 35.618 1.00 0.00 C ATOM 759 NZ LYS A 61 31.164 31.345 36.777 1.00 0.00 N ATOM 0 H LYS A 61 31.576 33.075 30.745 1.00 0.00 H new ATOM 0 HA LYS A 61 30.442 30.617 29.841 1.00 0.00 H new ATOM 0 HB2 LYS A 61 30.068 30.125 32.107 1.00 0.00 H new ATOM 0 HB3 LYS A 61 31.696 30.732 31.877 1.00 0.00 H new ATOM 0 HG2 LYS A 61 30.835 32.985 32.766 1.00 0.00 H new ATOM 0 HG3 LYS A 61 29.378 32.133 33.235 1.00 0.00 H new ATOM 0 HD2 LYS A 61 31.111 30.417 34.318 1.00 0.00 H new ATOM 0 HD3 LYS A 61 32.192 31.795 34.264 1.00 0.00 H new ATOM 0 HE2 LYS A 61 30.704 33.102 35.695 1.00 0.00 H new ATOM 0 HE3 LYS A 61 29.469 31.861 35.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 30.747 31.710 37.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 30.992 30.322 36.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 32.188 31.524 36.779 1.00 0.00 H new ATOM 773 N GLY A 62 28.197 31.170 29.307 1.00 0.00 N ATOM 774 CA GLY A 62 26.926 31.567 28.785 1.00 0.00 C ATOM 775 C GLY A 62 26.798 31.381 27.313 1.00 0.00 C ATOM 776 O GLY A 62 25.684 31.184 26.828 1.00 0.00 O ATOM 0 H GLY A 62 28.579 30.337 28.860 1.00 0.00 H new ATOM 0 HA2 GLY A 62 26.144 30.995 29.284 1.00 0.00 H new ATOM 0 HA3 GLY A 62 26.756 32.616 29.026 1.00 0.00 H new ATOM 780 N ASP A 63 27.879 31.501 26.521 1.00 0.00 N ATOM 781 CA ASP A 63 27.736 31.613 25.103 1.00 0.00 C ATOM 782 C ASP A 63 27.510 30.339 24.364 1.00 0.00 C ATOM 783 O ASP A 63 27.762 29.246 24.870 1.00 0.00 O ATOM 784 CB ASP A 63 28.740 32.583 24.458 1.00 0.00 C ATOM 785 CG ASP A 63 30.210 32.233 24.642 1.00 0.00 C ATOM 786 OD1 ASP A 63 30.623 31.078 24.354 1.00 0.00 O ATOM 787 OD2 ASP A 63 30.964 33.176 25.004 1.00 0.00 O ATOM 0 H ASP A 63 28.842 31.520 26.858 1.00 0.00 H new ATOM 0 HA ASP A 63 26.769 32.100 24.980 1.00 0.00 H new ATOM 0 HB2 ASP A 63 28.530 32.637 23.390 1.00 0.00 H new ATOM 0 HB3 ASP A 63 28.569 33.579 24.867 1.00 0.00 H new ATOM 792 N ARG A 64 26.961 30.415 23.139 1.00 0.00 N ATOM 793 CA ARG A 64 26.363 29.310 22.457 1.00 0.00 C ATOM 794 C ARG A 64 27.175 28.864 21.290 1.00 0.00 C ATOM 795 O ARG A 64 27.508 29.648 20.402 1.00 0.00 O ATOM 796 CB ARG A 64 24.963 29.727 21.974 1.00 0.00 C ATOM 797 CG ARG A 64 24.138 28.614 21.325 1.00 0.00 C ATOM 798 CD ARG A 64 22.733 29.072 20.928 1.00 0.00 C ATOM 799 NE ARG A 64 22.103 27.953 20.171 1.00 0.00 N ATOM 800 CZ ARG A 64 21.064 27.185 20.609 1.00 0.00 C ATOM 801 NH1 ARG A 64 20.474 27.344 21.831 1.00 0.00 N ATOM 802 NH2 ARG A 64 20.590 26.193 19.800 1.00 0.00 N ATOM 0 H ARG A 64 26.933 31.282 22.602 1.00 0.00 H new ATOM 0 HA ARG A 64 26.303 28.474 23.153 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.406 30.122 22.824 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.071 30.542 21.258 1.00 0.00 H new ATOM 0 HG2 ARG A 64 24.660 28.250 20.440 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.060 27.775 22.017 1.00 0.00 H new ATOM 0 HD2 ARG A 64 22.144 29.318 21.812 1.00 0.00 H new ATOM 0 HD3 ARG A 64 22.780 29.972 20.316 1.00 0.00 H new ATOM 0 HE ARG A 64 22.481 27.744 19.247 1.00 0.00 H new ATOM 0 HH11 ARG A 64 20.808 28.067 22.468 1.00 0.00 H new ATOM 0 HH12 ARG A 64 19.699 26.740 22.106 1.00 0.00 H new ATOM 0 HH21 ARG A 64 21.012 26.036 18.885 1.00 0.00 H new ATOM 0 HH22 ARG A 64 19.814 25.609 20.111 1.00 0.00 H new ATOM 816 N VAL A 65 27.532 27.569 21.226 1.00 0.00 N ATOM 817 CA VAL A 65 28.423 27.052 20.234 1.00 0.00 C ATOM 818 C VAL A 65 27.706 26.778 18.957 1.00 0.00 C ATOM 819 O VAL A 65 26.619 26.203 18.950 1.00 0.00 O ATOM 820 CB VAL A 65 29.074 25.774 20.672 1.00 0.00 C ATOM 821 CG1 VAL A 65 30.223 25.399 19.722 1.00 0.00 C ATOM 822 CG2 VAL A 65 29.610 25.883 22.109 1.00 0.00 C ATOM 0 H VAL A 65 27.193 26.864 21.880 1.00 0.00 H new ATOM 0 HA VAL A 65 29.184 27.818 20.088 1.00 0.00 H new ATOM 0 HB VAL A 65 28.313 24.994 20.644 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.683 24.469 20.056 1.00 0.00 H new ATOM 0 HG12 VAL A 65 29.833 25.268 18.713 1.00 0.00 H new ATOM 0 HG13 VAL A 65 30.969 26.193 19.722 1.00 0.00 H new ATOM 0 HG21 VAL A 65 30.076 24.940 22.396 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.348 26.683 22.162 1.00 0.00 H new ATOM 0 HG23 VAL A 65 28.787 26.103 22.789 1.00 0.00 H new ATOM 832 N LEU A 66 28.288 27.178 17.813 1.00 0.00 N ATOM 833 CA LEU A 66 27.753 26.909 16.514 1.00 0.00 C ATOM 834 C LEU A 66 28.505 25.814 15.837 1.00 0.00 C ATOM 835 O LEU A 66 27.924 24.821 15.405 1.00 0.00 O ATOM 836 CB LEU A 66 27.743 28.170 15.634 1.00 0.00 C ATOM 837 CG LEU A 66 26.850 29.307 16.157 1.00 0.00 C ATOM 838 CD1 LEU A 66 27.007 30.571 15.295 1.00 0.00 C ATOM 839 CD2 LEU A 66 25.368 28.899 16.202 1.00 0.00 C ATOM 0 H LEU A 66 29.160 27.706 17.791 1.00 0.00 H new ATOM 0 HA LEU A 66 26.722 26.585 16.654 1.00 0.00 H new ATOM 0 HB2 LEU A 66 28.764 28.541 15.541 1.00 0.00 H new ATOM 0 HB3 LEU A 66 27.411 27.896 14.633 1.00 0.00 H new ATOM 0 HG LEU A 66 27.178 29.521 17.174 1.00 0.00 H new ATOM 0 HD11 LEU A 66 26.365 31.360 15.686 1.00 0.00 H new ATOM 0 HD12 LEU A 66 28.045 30.902 15.320 1.00 0.00 H new ATOM 0 HD13 LEU A 66 26.722 30.348 14.267 1.00 0.00 H new ATOM 0 HD21 LEU A 66 24.773 29.731 16.577 1.00 0.00 H new ATOM 0 HD22 LEU A 66 25.032 28.636 15.199 1.00 0.00 H new ATOM 0 HD23 LEU A 66 25.247 28.040 16.862 1.00 0.00 H new ATOM 851 N ALA A 67 29.841 25.922 15.717 1.00 0.00 N ATOM 852 CA ALA A 67 30.599 24.956 14.985 1.00 0.00 C ATOM 853 C ALA A 67 31.987 24.823 15.511 1.00 0.00 C ATOM 854 O ALA A 67 32.599 25.780 15.982 1.00 0.00 O ATOM 855 CB ALA A 67 30.675 25.316 13.491 1.00 0.00 C ATOM 0 H ALA A 67 30.394 26.675 16.125 1.00 0.00 H new ATOM 0 HA ALA A 67 30.078 24.007 15.108 1.00 0.00 H new ATOM 0 HB1 ALA A 67 31.258 24.561 12.964 1.00 0.00 H new ATOM 0 HB2 ALA A 67 29.669 25.353 13.074 1.00 0.00 H new ATOM 0 HB3 ALA A 67 31.152 26.289 13.375 1.00 0.00 H new ATOM 861 N VAL A 68 32.527 23.594 15.447 1.00 0.00 N ATOM 862 CA VAL A 68 33.874 23.299 15.823 1.00 0.00 C ATOM 863 C VAL A 68 34.634 22.880 14.612 1.00 0.00 C ATOM 864 O VAL A 68 34.454 21.780 14.092 1.00 0.00 O ATOM 865 CB VAL A 68 33.954 22.210 16.852 1.00 0.00 C ATOM 866 CG1 VAL A 68 35.408 21.995 17.304 1.00 0.00 C ATOM 867 CG2 VAL A 68 33.083 22.544 18.075 1.00 0.00 C ATOM 0 H VAL A 68 32.009 22.778 15.123 1.00 0.00 H new ATOM 0 HA VAL A 68 34.301 24.201 16.262 1.00 0.00 H new ATOM 0 HB VAL A 68 33.582 21.294 16.392 1.00 0.00 H new ATOM 0 HG11 VAL A 68 35.443 21.201 18.050 1.00 0.00 H new ATOM 0 HG12 VAL A 68 36.018 21.714 16.446 1.00 0.00 H new ATOM 0 HG13 VAL A 68 35.795 22.918 17.737 1.00 0.00 H new ATOM 0 HG21 VAL A 68 33.158 21.739 18.806 1.00 0.00 H new ATOM 0 HG22 VAL A 68 33.428 23.475 18.524 1.00 0.00 H new ATOM 0 HG23 VAL A 68 32.045 22.655 17.763 1.00 0.00 H new ATOM 877 N ASN A 69 35.541 23.733 14.105 1.00 0.00 N ATOM 878 CA ASN A 69 36.483 23.467 13.063 1.00 0.00 C ATOM 879 C ASN A 69 35.855 23.119 11.757 1.00 0.00 C ATOM 880 O ASN A 69 36.241 22.157 11.096 1.00 0.00 O ATOM 881 CB ASN A 69 37.517 22.415 13.502 1.00 0.00 C ATOM 882 CG ASN A 69 38.872 22.630 12.845 1.00 0.00 C ATOM 883 OD1 ASN A 69 39.217 23.713 12.376 1.00 0.00 O ATOM 884 ND2 ASN A 69 39.719 21.565 12.867 1.00 0.00 N ATOM 0 H ASN A 69 35.621 24.688 14.454 1.00 0.00 H new ATOM 0 HA ASN A 69 37.008 24.406 12.886 1.00 0.00 H new ATOM 0 HB2 ASN A 69 37.631 22.451 14.585 1.00 0.00 H new ATOM 0 HB3 ASN A 69 37.148 21.420 13.253 1.00 0.00 H new ATOM 0 HD21 ASN A 69 40.662 21.656 12.489 1.00 0.00 H new ATOM 0 HD22 ASN A 69 39.411 20.676 13.261 1.00 0.00 H new ATOM 891 N GLY A 70 34.824 23.878 11.344 1.00 0.00 N ATOM 892 CA GLY A 70 34.051 23.598 10.173 1.00 0.00 C ATOM 893 C GLY A 70 32.882 22.712 10.429 1.00 0.00 C ATOM 894 O GLY A 70 31.903 22.728 9.683 1.00 0.00 O ATOM 0 H GLY A 70 34.518 24.714 11.841 1.00 0.00 H new ATOM 0 HA2 GLY A 70 33.698 24.537 9.747 1.00 0.00 H new ATOM 0 HA3 GLY A 70 34.694 23.131 9.426 1.00 0.00 H new ATOM 898 N VAL A 71 32.916 21.889 11.493 1.00 0.00 N ATOM 899 CA VAL A 71 31.899 20.925 11.777 1.00 0.00 C ATOM 900 C VAL A 71 30.812 21.553 12.577 1.00 0.00 C ATOM 901 O VAL A 71 30.981 21.933 13.735 1.00 0.00 O ATOM 902 CB VAL A 71 32.410 19.687 12.454 1.00 0.00 C ATOM 903 CG1 VAL A 71 31.290 18.645 12.613 1.00 0.00 C ATOM 904 CG2 VAL A 71 33.568 19.097 11.633 1.00 0.00 C ATOM 0 H VAL A 71 33.674 21.895 12.176 1.00 0.00 H new ATOM 0 HA VAL A 71 31.507 20.595 10.815 1.00 0.00 H new ATOM 0 HB VAL A 71 32.766 19.954 13.449 1.00 0.00 H new ATOM 0 HG11 VAL A 71 31.686 17.757 13.106 1.00 0.00 H new ATOM 0 HG12 VAL A 71 30.485 19.066 13.215 1.00 0.00 H new ATOM 0 HG13 VAL A 71 30.904 18.372 11.631 1.00 0.00 H new ATOM 0 HG21 VAL A 71 33.940 18.198 12.123 1.00 0.00 H new ATOM 0 HG22 VAL A 71 33.214 18.845 10.633 1.00 0.00 H new ATOM 0 HG23 VAL A 71 34.372 19.829 11.559 1.00 0.00 H new ATOM 914 N SER A 72 29.623 21.703 11.966 1.00 0.00 N ATOM 915 CA SER A 72 28.454 22.249 12.582 1.00 0.00 C ATOM 916 C SER A 72 27.901 21.340 13.624 1.00 0.00 C ATOM 917 O SER A 72 27.683 20.151 13.399 1.00 0.00 O ATOM 918 CB SER A 72 27.370 22.564 11.536 1.00 0.00 C ATOM 919 OG SER A 72 27.219 21.521 10.584 1.00 0.00 O ATOM 0 H SER A 72 29.470 21.430 10.995 1.00 0.00 H new ATOM 0 HA SER A 72 28.758 23.177 13.066 1.00 0.00 H new ATOM 0 HB2 SER A 72 26.419 22.732 12.041 1.00 0.00 H new ATOM 0 HB3 SER A 72 27.625 23.490 11.020 1.00 0.00 H new ATOM 0 HG SER A 72 26.520 21.763 9.941 1.00 0.00 H new ATOM 925 N LEU A 73 27.654 21.854 14.843 1.00 0.00 N ATOM 926 CA LEU A 73 27.176 21.047 15.923 1.00 0.00 C ATOM 927 C LEU A 73 25.691 20.924 15.909 1.00 0.00 C ATOM 928 O LEU A 73 25.015 21.188 16.902 1.00 0.00 O ATOM 929 CB LEU A 73 27.599 21.590 17.298 1.00 0.00 C ATOM 930 CG LEU A 73 29.111 21.657 17.573 1.00 0.00 C ATOM 931 CD1 LEU A 73 29.322 22.051 19.044 1.00 0.00 C ATOM 932 CD2 LEU A 73 29.845 20.336 17.283 1.00 0.00 C ATOM 0 H LEU A 73 27.787 22.837 15.081 1.00 0.00 H new ATOM 0 HA LEU A 73 27.630 20.068 15.771 1.00 0.00 H new ATOM 0 HB2 LEU A 73 27.187 22.593 17.410 1.00 0.00 H new ATOM 0 HB3 LEU A 73 27.139 20.968 18.067 1.00 0.00 H new ATOM 0 HG LEU A 73 29.534 22.399 16.896 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.390 22.103 19.257 1.00 0.00 H new ATOM 0 HD12 LEU A 73 28.867 23.024 19.229 1.00 0.00 H new ATOM 0 HD13 LEU A 73 28.859 21.305 19.690 1.00 0.00 H new ATOM 0 HD21 LEU A 73 30.907 20.455 17.499 1.00 0.00 H new ATOM 0 HD22 LEU A 73 29.433 19.546 17.911 1.00 0.00 H new ATOM 0 HD23 LEU A 73 29.715 20.070 16.234 1.00 0.00 H new ATOM 944 N GLU A 74 25.082 20.528 14.777 1.00 0.00 N ATOM 945 CA GLU A 74 23.664 20.588 14.602 1.00 0.00 C ATOM 946 C GLU A 74 22.936 19.471 15.267 1.00 0.00 C ATOM 947 O GLU A 74 23.187 18.286 15.051 1.00 0.00 O ATOM 948 CB GLU A 74 23.263 20.744 13.125 1.00 0.00 C ATOM 949 CG GLU A 74 23.565 19.547 12.221 1.00 0.00 C ATOM 950 CD GLU A 74 23.198 19.825 10.771 1.00 0.00 C ATOM 951 OE1 GLU A 74 22.034 20.215 10.491 1.00 0.00 O ATOM 952 OE2 GLU A 74 24.080 19.640 9.890 1.00 0.00 O ATOM 0 H GLU A 74 25.583 20.160 13.969 1.00 0.00 H new ATOM 0 HA GLU A 74 23.346 21.495 15.116 1.00 0.00 H new ATOM 0 HB2 GLU A 74 22.193 20.949 13.079 1.00 0.00 H new ATOM 0 HB3 GLU A 74 23.773 21.618 12.720 1.00 0.00 H new ATOM 0 HG2 GLU A 74 24.625 19.301 12.287 1.00 0.00 H new ATOM 0 HG3 GLU A 74 23.013 18.676 12.575 1.00 0.00 H new ATOM 959 N GLY A 75 22.022 19.826 16.187 1.00 0.00 N ATOM 960 CA GLY A 75 21.264 18.910 16.983 1.00 0.00 C ATOM 961 C GLY A 75 22.076 18.056 17.895 1.00 0.00 C ATOM 962 O GLY A 75 21.670 16.950 18.248 1.00 0.00 O ATOM 0 H GLY A 75 21.800 20.801 16.386 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.547 19.475 17.579 1.00 0.00 H new ATOM 0 HA3 GLY A 75 20.688 18.264 16.320 1.00 0.00 H new ATOM 966 N ALA A 76 23.285 18.515 18.264 1.00 0.00 N ATOM 967 CA ALA A 76 24.248 17.731 18.972 1.00 0.00 C ATOM 968 C ALA A 76 23.913 17.429 20.392 1.00 0.00 C ATOM 969 O ALA A 76 23.189 18.154 21.071 1.00 0.00 O ATOM 970 CB ALA A 76 25.645 18.372 18.903 1.00 0.00 C ATOM 0 H ALA A 76 23.603 19.463 18.063 1.00 0.00 H new ATOM 0 HA ALA A 76 24.236 16.773 18.453 1.00 0.00 H new ATOM 0 HB1 ALA A 76 26.356 17.754 19.450 1.00 0.00 H new ATOM 0 HB2 ALA A 76 25.958 18.451 17.862 1.00 0.00 H new ATOM 0 HB3 ALA A 76 25.611 19.367 19.348 1.00 0.00 H new ATOM 976 N THR A 77 24.466 16.308 20.892 1.00 0.00 N ATOM 977 CA THR A 77 24.422 15.923 22.268 1.00 0.00 C ATOM 978 C THR A 77 25.612 16.433 23.006 1.00 0.00 C ATOM 979 O THR A 77 26.562 16.948 22.419 1.00 0.00 O ATOM 980 CB THR A 77 24.289 14.442 22.467 1.00 0.00 C ATOM 981 OG1 THR A 77 25.354 13.714 21.874 1.00 0.00 O ATOM 982 CG2 THR A 77 22.981 13.935 21.837 1.00 0.00 C ATOM 0 H THR A 77 24.967 15.639 20.308 1.00 0.00 H new ATOM 0 HA THR A 77 23.520 16.380 22.675 1.00 0.00 H new ATOM 0 HB THR A 77 24.302 14.279 23.545 1.00 0.00 H new ATOM 0 HG1 THR A 77 25.223 12.756 22.032 1.00 0.00 H new ATOM 0 HG21 THR A 77 22.897 12.859 21.989 1.00 0.00 H new ATOM 0 HG22 THR A 77 22.134 14.435 22.306 1.00 0.00 H new ATOM 0 HG23 THR A 77 22.984 14.152 20.769 1.00 0.00 H new ATOM 990 N HIS A 78 25.609 16.316 24.346 1.00 0.00 N ATOM 991 CA HIS A 78 26.620 16.820 25.223 1.00 0.00 C ATOM 992 C HIS A 78 27.987 16.290 24.956 1.00 0.00 C ATOM 993 O HIS A 78 28.921 17.041 24.678 1.00 0.00 O ATOM 994 CB HIS A 78 26.221 16.533 26.680 1.00 0.00 C ATOM 995 CG HIS A 78 26.959 17.294 27.742 1.00 0.00 C ATOM 996 ND1 HIS A 78 26.510 17.361 29.045 1.00 0.00 N ATOM 997 CD2 HIS A 78 28.127 17.991 27.716 1.00 0.00 C ATOM 998 CE1 HIS A 78 27.428 18.080 29.745 1.00 0.00 C ATOM 999 NE2 HIS A 78 28.426 18.471 28.976 1.00 0.00 N ATOM 0 H HIS A 78 24.857 15.842 24.846 1.00 0.00 H new ATOM 0 HA HIS A 78 26.679 17.892 25.037 1.00 0.00 H new ATOM 0 HB2 HIS A 78 25.157 16.742 26.789 1.00 0.00 H new ATOM 0 HB3 HIS A 78 26.358 15.468 26.867 1.00 0.00 H new ATOM 0 HD2 HIS A 78 28.734 18.147 26.836 1.00 0.00 H new ATOM 0 HE1 HIS A 78 27.350 18.303 30.799 1.00 0.00 H new ATOM 0 HE2 HIS A 78 29.245 19.013 29.253 1.00 0.00 H new ATOM 1007 N LYS A 79 28.166 14.958 25.007 1.00 0.00 N ATOM 1008 CA LYS A 79 29.394 14.291 24.704 1.00 0.00 C ATOM 1009 C LYS A 79 29.950 14.525 23.342 1.00 0.00 C ATOM 1010 O LYS A 79 31.167 14.505 23.159 1.00 0.00 O ATOM 1011 CB LYS A 79 29.312 12.785 25.004 1.00 0.00 C ATOM 1012 CG LYS A 79 29.093 12.547 26.500 1.00 0.00 C ATOM 1013 CD LYS A 79 29.450 11.119 26.916 1.00 0.00 C ATOM 1014 CE LYS A 79 29.075 10.762 28.356 1.00 0.00 C ATOM 1015 NZ LYS A 79 27.619 10.519 28.467 1.00 0.00 N ATOM 0 H LYS A 79 27.419 14.316 25.272 1.00 0.00 H new ATOM 0 HA LYS A 79 30.109 14.763 25.377 1.00 0.00 H new ATOM 0 HB2 LYS A 79 28.496 12.339 24.436 1.00 0.00 H new ATOM 0 HB3 LYS A 79 30.230 12.294 24.682 1.00 0.00 H new ATOM 0 HG2 LYS A 79 29.698 13.252 27.071 1.00 0.00 H new ATOM 0 HG3 LYS A 79 28.051 12.746 26.749 1.00 0.00 H new ATOM 0 HD2 LYS A 79 28.952 10.423 26.241 1.00 0.00 H new ATOM 0 HD3 LYS A 79 30.523 10.975 26.787 1.00 0.00 H new ATOM 0 HE2 LYS A 79 29.623 9.874 28.671 1.00 0.00 H new ATOM 0 HE3 LYS A 79 29.367 11.571 29.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 27.381 10.278 29.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 27.102 11.376 28.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 27.350 9.732 27.843 1.00 0.00 H new ATOM 1029 N GLN A 80 29.097 14.777 22.335 1.00 0.00 N ATOM 1030 CA GLN A 80 29.470 15.050 20.982 1.00 0.00 C ATOM 1031 C GLN A 80 30.381 16.222 20.854 1.00 0.00 C ATOM 1032 O GLN A 80 31.462 16.134 20.274 1.00 0.00 O ATOM 1033 CB GLN A 80 28.213 15.291 20.128 1.00 0.00 C ATOM 1034 CG GLN A 80 28.229 14.636 18.746 1.00 0.00 C ATOM 1035 CD GLN A 80 29.426 14.989 17.873 1.00 0.00 C ATOM 1036 OE1 GLN A 80 30.326 14.179 17.656 1.00 0.00 O ATOM 1037 NE2 GLN A 80 29.426 16.233 17.322 1.00 0.00 N ATOM 0 H GLN A 80 28.087 14.791 22.474 1.00 0.00 H new ATOM 0 HA GLN A 80 30.013 14.174 20.627 1.00 0.00 H new ATOM 0 HB2 GLN A 80 27.345 14.924 20.676 1.00 0.00 H new ATOM 0 HB3 GLN A 80 28.080 16.365 20.002 1.00 0.00 H new ATOM 0 HG2 GLN A 80 28.200 13.554 18.874 1.00 0.00 H new ATOM 0 HG3 GLN A 80 27.319 14.919 18.217 1.00 0.00 H new ATOM 0 HE21 GLN A 80 28.664 16.880 17.523 1.00 0.00 H new ATOM 0 HE22 GLN A 80 30.188 16.519 16.708 1.00 0.00 H new ATOM 1046 N ALA A 81 29.982 17.365 21.442 1.00 0.00 N ATOM 1047 CA ALA A 81 30.724 18.587 21.498 1.00 0.00 C ATOM 1048 C ALA A 81 32.053 18.449 22.158 1.00 0.00 C ATOM 1049 O ALA A 81 33.062 18.913 21.631 1.00 0.00 O ATOM 1050 CB ALA A 81 29.872 19.631 22.239 1.00 0.00 C ATOM 0 H ALA A 81 29.079 17.439 21.910 1.00 0.00 H new ATOM 0 HA ALA A 81 30.933 18.897 20.474 1.00 0.00 H new ATOM 0 HB1 ALA A 81 30.418 20.573 22.294 1.00 0.00 H new ATOM 0 HB2 ALA A 81 28.936 19.785 21.702 1.00 0.00 H new ATOM 0 HB3 ALA A 81 29.657 19.276 23.247 1.00 0.00 H new ATOM 1056 N VAL A 82 32.133 17.757 23.309 1.00 0.00 N ATOM 1057 CA VAL A 82 33.329 17.554 24.066 1.00 0.00 C ATOM 1058 C VAL A 82 34.321 16.744 23.303 1.00 0.00 C ATOM 1059 O VAL A 82 35.487 17.118 23.180 1.00 0.00 O ATOM 1060 CB VAL A 82 33.069 16.900 25.389 1.00 0.00 C ATOM 1061 CG1 VAL A 82 34.373 16.797 26.200 1.00 0.00 C ATOM 1062 CG2 VAL A 82 32.053 17.730 26.192 1.00 0.00 C ATOM 0 H VAL A 82 31.318 17.315 23.734 1.00 0.00 H new ATOM 0 HA VAL A 82 33.737 18.547 24.254 1.00 0.00 H new ATOM 0 HB VAL A 82 32.673 15.901 25.206 1.00 0.00 H new ATOM 0 HG11 VAL A 82 34.169 16.320 27.159 1.00 0.00 H new ATOM 0 HG12 VAL A 82 35.100 16.202 25.646 1.00 0.00 H new ATOM 0 HG13 VAL A 82 34.775 17.796 26.370 1.00 0.00 H new ATOM 0 HG21 VAL A 82 31.868 17.249 27.153 1.00 0.00 H new ATOM 0 HG22 VAL A 82 32.451 18.731 26.358 1.00 0.00 H new ATOM 0 HG23 VAL A 82 31.118 17.799 25.635 1.00 0.00 H new ATOM 1072 N GLU A 83 33.882 15.610 22.729 1.00 0.00 N ATOM 1073 CA GLU A 83 34.720 14.756 21.946 1.00 0.00 C ATOM 1074 C GLU A 83 35.194 15.385 20.681 1.00 0.00 C ATOM 1075 O GLU A 83 36.311 15.153 20.220 1.00 0.00 O ATOM 1076 CB GLU A 83 34.023 13.422 21.633 1.00 0.00 C ATOM 1077 CG GLU A 83 34.085 12.409 22.777 1.00 0.00 C ATOM 1078 CD GLU A 83 35.507 11.956 23.074 1.00 0.00 C ATOM 1079 OE1 GLU A 83 36.246 11.617 22.111 1.00 0.00 O ATOM 1080 OE2 GLU A 83 35.890 11.918 24.274 1.00 0.00 O ATOM 0 H GLU A 83 32.921 15.278 22.811 1.00 0.00 H new ATOM 0 HA GLU A 83 35.600 14.571 22.562 1.00 0.00 H new ATOM 0 HB2 GLU A 83 32.979 13.617 21.389 1.00 0.00 H new ATOM 0 HB3 GLU A 83 34.481 12.983 20.746 1.00 0.00 H new ATOM 0 HG2 GLU A 83 33.653 12.852 23.674 1.00 0.00 H new ATOM 0 HG3 GLU A 83 33.476 11.541 22.524 1.00 0.00 H new ATOM 1087 N THR A 84 34.352 16.250 20.088 1.00 0.00 N ATOM 1088 CA THR A 84 34.626 17.049 18.934 1.00 0.00 C ATOM 1089 C THR A 84 35.652 18.097 19.199 1.00 0.00 C ATOM 1090 O THR A 84 36.591 18.243 18.418 1.00 0.00 O ATOM 1091 CB THR A 84 33.361 17.639 18.387 1.00 0.00 C ATOM 1092 OG1 THR A 84 32.552 16.604 17.849 1.00 0.00 O ATOM 1093 CG2 THR A 84 33.554 18.642 17.238 1.00 0.00 C ATOM 0 H THR A 84 33.408 16.401 20.443 1.00 0.00 H new ATOM 0 HA THR A 84 35.050 16.391 18.176 1.00 0.00 H new ATOM 0 HB THR A 84 32.917 18.162 19.234 1.00 0.00 H new ATOM 0 HG1 THR A 84 32.008 16.210 18.562 1.00 0.00 H new ATOM 0 HG21 THR A 84 32.582 19.012 16.911 1.00 0.00 H new ATOM 0 HG22 THR A 84 34.163 19.477 17.583 1.00 0.00 H new ATOM 0 HG23 THR A 84 34.053 18.148 16.404 1.00 0.00 H new ATOM 1101 N LEU A 85 35.563 18.831 20.322 1.00 0.00 N ATOM 1102 CA LEU A 85 36.559 19.753 20.776 1.00 0.00 C ATOM 1103 C LEU A 85 37.890 19.125 21.004 1.00 0.00 C ATOM 1104 O LEU A 85 38.925 19.666 20.618 1.00 0.00 O ATOM 1105 CB LEU A 85 36.154 20.421 22.101 1.00 0.00 C ATOM 1106 CG LEU A 85 35.006 21.442 22.023 1.00 0.00 C ATOM 1107 CD1 LEU A 85 34.559 21.812 23.447 1.00 0.00 C ATOM 1108 CD2 LEU A 85 35.396 22.705 21.237 1.00 0.00 C ATOM 0 H LEU A 85 34.757 18.779 20.945 1.00 0.00 H new ATOM 0 HA LEU A 85 36.635 20.483 19.970 1.00 0.00 H new ATOM 0 HB2 LEU A 85 35.870 19.640 22.806 1.00 0.00 H new ATOM 0 HB3 LEU A 85 37.030 20.921 22.515 1.00 0.00 H new ATOM 0 HG LEU A 85 34.181 20.979 21.481 1.00 0.00 H new ATOM 0 HD11 LEU A 85 33.745 22.536 23.396 1.00 0.00 H new ATOM 0 HD12 LEU A 85 34.216 20.916 23.965 1.00 0.00 H new ATOM 0 HD13 LEU A 85 35.398 22.247 23.990 1.00 0.00 H new ATOM 0 HD21 LEU A 85 34.551 23.393 21.212 1.00 0.00 H new ATOM 0 HD22 LEU A 85 36.243 23.189 21.723 1.00 0.00 H new ATOM 0 HD23 LEU A 85 35.670 22.430 20.219 1.00 0.00 H new ATOM 1120 N ARG A 86 37.925 17.932 21.623 1.00 0.00 N ATOM 1121 CA ARG A 86 39.124 17.197 21.885 1.00 0.00 C ATOM 1122 C ARG A 86 39.792 16.621 20.684 1.00 0.00 C ATOM 1123 O ARG A 86 40.956 16.230 20.739 1.00 0.00 O ATOM 1124 CB ARG A 86 38.835 16.117 22.941 1.00 0.00 C ATOM 1125 CG ARG A 86 39.070 16.641 24.360 1.00 0.00 C ATOM 1126 CD ARG A 86 38.575 15.684 25.446 1.00 0.00 C ATOM 1127 NE ARG A 86 39.127 16.181 26.738 1.00 0.00 N ATOM 1128 CZ ARG A 86 38.762 15.679 27.954 1.00 0.00 C ATOM 1129 NH1 ARG A 86 37.707 14.829 28.114 1.00 0.00 N ATOM 1130 NH2 ARG A 86 39.512 16.009 29.046 1.00 0.00 N ATOM 0 H ARG A 86 37.084 17.460 21.955 1.00 0.00 H new ATOM 0 HA ARG A 86 39.848 17.918 22.264 1.00 0.00 H new ATOM 0 HB2 ARG A 86 37.804 15.778 22.843 1.00 0.00 H new ATOM 0 HB3 ARG A 86 39.473 15.252 22.762 1.00 0.00 H new ATOM 0 HG2 ARG A 86 40.136 16.821 24.502 1.00 0.00 H new ATOM 0 HG3 ARG A 86 38.566 17.601 24.474 1.00 0.00 H new ATOM 0 HD2 ARG A 86 37.486 15.660 25.474 1.00 0.00 H new ATOM 0 HD3 ARG A 86 38.911 14.666 25.247 1.00 0.00 H new ATOM 0 HE ARG A 86 39.813 16.935 26.712 1.00 0.00 H new ATOM 0 HH11 ARG A 86 37.155 14.544 27.305 1.00 0.00 H new ATOM 0 HH12 ARG A 86 37.471 14.479 29.042 1.00 0.00 H new ATOM 0 HH21 ARG A 86 40.324 16.618 28.942 1.00 0.00 H new ATOM 0 HH22 ARG A 86 39.260 15.647 29.966 1.00 0.00 H new ATOM 1144 N ASN A 87 39.124 16.550 19.518 1.00 0.00 N ATOM 1145 CA ASN A 87 39.741 16.161 18.289 1.00 0.00 C ATOM 1146 C ASN A 87 40.176 17.338 17.485 1.00 0.00 C ATOM 1147 O ASN A 87 40.113 17.350 16.257 1.00 0.00 O ATOM 1148 CB ASN A 87 38.799 15.227 17.509 1.00 0.00 C ATOM 1149 CG ASN A 87 39.579 14.225 16.671 1.00 0.00 C ATOM 1150 OD1 ASN A 87 39.653 14.289 15.446 1.00 0.00 O ATOM 1151 ND2 ASN A 87 40.204 13.234 17.364 1.00 0.00 N ATOM 0 H ASN A 87 38.132 16.768 19.428 1.00 0.00 H new ATOM 0 HA ASN A 87 40.653 15.609 18.515 1.00 0.00 H new ATOM 0 HB2 ASN A 87 38.152 14.695 18.207 1.00 0.00 H new ATOM 0 HB3 ASN A 87 38.151 15.819 16.862 1.00 0.00 H new ATOM 0 HD21 ASN A 87 40.746 12.527 16.867 1.00 0.00 H new ATOM 0 HD22 ASN A 87 40.131 13.198 18.381 1.00 0.00 H new ATOM 1158 N THR A 88 40.659 18.403 18.149 1.00 0.00 N ATOM 1159 CA THR A 88 41.264 19.539 17.528 1.00 0.00 C ATOM 1160 C THR A 88 42.737 19.538 17.752 1.00 0.00 C ATOM 1161 O THR A 88 43.227 19.107 18.794 1.00 0.00 O ATOM 1162 CB THR A 88 40.653 20.866 17.869 1.00 0.00 C ATOM 1163 OG1 THR A 88 40.665 21.159 19.259 1.00 0.00 O ATOM 1164 CG2 THR A 88 39.193 20.874 17.389 1.00 0.00 C ATOM 0 H THR A 88 40.626 18.475 19.166 1.00 0.00 H new ATOM 0 HA THR A 88 41.057 19.422 16.464 1.00 0.00 H new ATOM 0 HB THR A 88 41.256 21.626 17.373 1.00 0.00 H new ATOM 0 HG1 THR A 88 40.084 20.527 19.732 1.00 0.00 H new ATOM 0 HG21 THR A 88 38.736 21.834 17.631 1.00 0.00 H new ATOM 0 HG22 THR A 88 39.164 20.719 16.310 1.00 0.00 H new ATOM 0 HG23 THR A 88 38.642 20.075 17.885 1.00 0.00 H new ATOM 1172 N GLY A 89 43.505 20.006 16.752 1.00 0.00 N ATOM 1173 CA GLY A 89 44.934 20.020 16.782 1.00 0.00 C ATOM 1174 C GLY A 89 45.481 21.292 17.335 1.00 0.00 C ATOM 1175 O GLY A 89 44.865 21.933 18.184 1.00 0.00 O ATOM 0 H GLY A 89 43.116 20.389 15.890 1.00 0.00 H new ATOM 0 HA2 GLY A 89 45.290 19.183 17.383 1.00 0.00 H new ATOM 0 HA3 GLY A 89 45.317 19.872 15.772 1.00 0.00 H new ATOM 1179 N GLN A 90 46.674 21.710 16.877 1.00 0.00 N ATOM 1180 CA GLN A 90 47.383 22.828 17.418 1.00 0.00 C ATOM 1181 C GLN A 90 46.667 24.131 17.325 1.00 0.00 C ATOM 1182 O GLN A 90 46.434 24.786 18.339 1.00 0.00 O ATOM 1183 CB GLN A 90 48.785 22.911 16.791 1.00 0.00 C ATOM 1184 CG GLN A 90 49.888 23.429 17.717 1.00 0.00 C ATOM 1185 CD GLN A 90 49.787 24.916 18.028 1.00 0.00 C ATOM 1186 OE1 GLN A 90 49.418 25.250 19.294 1.00 0.00 O flip ATOM 1187 NE2 GLN A 90 50.085 25.773 17.198 1.00 0.00 N flip ATOM 0 H GLN A 90 47.161 21.255 16.105 1.00 0.00 H new ATOM 0 HA GLN A 90 47.465 22.643 18.489 1.00 0.00 H new ATOM 0 HB2 GLN A 90 49.066 21.919 16.438 1.00 0.00 H new ATOM 0 HB3 GLN A 90 48.735 23.558 15.915 1.00 0.00 H new ATOM 0 HG2 GLN A 90 49.856 22.870 18.652 1.00 0.00 H new ATOM 0 HG3 GLN A 90 50.857 23.229 17.259 1.00 0.00 H new ATOM 0 HE21 GLN A 90 50.358 25.496 16.255 1.00 0.00 H new ATOM 0 HE22 GLN A 90 50.059 26.760 17.453 1.00 0.00 H new ATOM 1196 N VAL A 91 46.268 24.546 16.108 1.00 0.00 N ATOM 1197 CA VAL A 91 45.435 25.687 15.892 1.00 0.00 C ATOM 1198 C VAL A 91 44.036 25.242 15.635 1.00 0.00 C ATOM 1199 O VAL A 91 43.760 24.405 14.777 1.00 0.00 O ATOM 1200 CB VAL A 91 45.911 26.591 14.794 1.00 0.00 C ATOM 1201 CG1 VAL A 91 44.992 27.813 14.635 1.00 0.00 C ATOM 1202 CG2 VAL A 91 47.333 27.066 15.139 1.00 0.00 C ATOM 0 H VAL A 91 46.535 24.070 15.246 1.00 0.00 H new ATOM 0 HA VAL A 91 45.481 26.284 16.803 1.00 0.00 H new ATOM 0 HB VAL A 91 45.901 26.039 13.854 1.00 0.00 H new ATOM 0 HG11 VAL A 91 45.366 28.447 13.831 1.00 0.00 H new ATOM 0 HG12 VAL A 91 43.982 27.480 14.395 1.00 0.00 H new ATOM 0 HG13 VAL A 91 44.976 28.379 15.566 1.00 0.00 H new ATOM 0 HG21 VAL A 91 47.697 27.726 14.351 1.00 0.00 H new ATOM 0 HG22 VAL A 91 47.317 27.606 16.086 1.00 0.00 H new ATOM 0 HG23 VAL A 91 47.994 26.204 15.225 1.00 0.00 H new ATOM 1212 N VAL A 92 43.107 25.804 16.429 1.00 0.00 N ATOM 1213 CA VAL A 92 41.742 25.434 16.640 1.00 0.00 C ATOM 1214 C VAL A 92 40.868 26.534 16.145 1.00 0.00 C ATOM 1215 O VAL A 92 41.147 27.711 16.370 1.00 0.00 O ATOM 1216 CB VAL A 92 41.554 25.243 18.116 1.00 0.00 C ATOM 1217 CG1 VAL A 92 40.111 24.850 18.476 1.00 0.00 C ATOM 1218 CG2 VAL A 92 42.502 24.117 18.563 1.00 0.00 C ATOM 0 H VAL A 92 43.348 26.620 16.992 1.00 0.00 H new ATOM 0 HA VAL A 92 41.486 24.517 16.109 1.00 0.00 H new ATOM 0 HB VAL A 92 41.769 26.186 18.619 1.00 0.00 H new ATOM 0 HG11 VAL A 92 40.027 24.724 19.555 1.00 0.00 H new ATOM 0 HG12 VAL A 92 39.428 25.634 18.148 1.00 0.00 H new ATOM 0 HG13 VAL A 92 39.854 23.914 17.980 1.00 0.00 H new ATOM 0 HG21 VAL A 92 42.391 23.952 19.635 1.00 0.00 H new ATOM 0 HG22 VAL A 92 42.256 23.200 18.027 1.00 0.00 H new ATOM 0 HG23 VAL A 92 43.532 24.400 18.345 1.00 0.00 H new ATOM 1228 N HIS A 93 39.768 26.216 15.440 1.00 0.00 N ATOM 1229 CA HIS A 93 38.878 27.196 14.898 1.00 0.00 C ATOM 1230 C HIS A 93 37.480 26.978 15.365 1.00 0.00 C ATOM 1231 O HIS A 93 36.816 26.036 14.933 1.00 0.00 O ATOM 1232 CB HIS A 93 38.933 27.166 13.361 1.00 0.00 C ATOM 1233 CG HIS A 93 38.341 28.364 12.679 1.00 0.00 C ATOM 1234 ND1 HIS A 93 38.308 28.518 11.308 1.00 0.00 N ATOM 1235 CD2 HIS A 93 37.809 29.503 13.194 1.00 0.00 C ATOM 1236 CE1 HIS A 93 37.754 29.735 11.061 1.00 0.00 C ATOM 1237 NE2 HIS A 93 37.421 30.354 12.179 1.00 0.00 N ATOM 0 H HIS A 93 39.490 25.255 15.242 1.00 0.00 H new ATOM 0 HA HIS A 93 39.201 28.175 15.251 1.00 0.00 H new ATOM 0 HB2 HIS A 93 39.974 27.069 13.052 1.00 0.00 H new ATOM 0 HB3 HIS A 93 38.412 26.274 13.012 1.00 0.00 H new ATOM 0 HD1 HIS A 93 38.636 27.847 10.613 1.00 0.00 H new ATOM 0 HD2 HIS A 93 37.704 29.713 14.248 1.00 0.00 H new ATOM 0 HE1 HIS A 93 37.605 30.145 10.073 1.00 0.00 H new ATOM 1245 N LEU A 94 36.940 27.799 16.283 1.00 0.00 N ATOM 1246 CA LEU A 94 35.552 27.756 16.625 1.00 0.00 C ATOM 1247 C LEU A 94 34.737 28.774 15.904 1.00 0.00 C ATOM 1248 O LEU A 94 35.240 29.783 15.414 1.00 0.00 O ATOM 1249 CB LEU A 94 35.257 27.900 18.128 1.00 0.00 C ATOM 1250 CG LEU A 94 36.164 27.077 19.059 1.00 0.00 C ATOM 1251 CD1 LEU A 94 35.804 27.370 20.525 1.00 0.00 C ATOM 1252 CD2 LEU A 94 36.009 25.569 18.794 1.00 0.00 C ATOM 0 H LEU A 94 37.473 28.502 16.795 1.00 0.00 H new ATOM 0 HA LEU A 94 35.264 26.753 16.309 1.00 0.00 H new ATOM 0 HB2 LEU A 94 35.345 28.952 18.399 1.00 0.00 H new ATOM 0 HB3 LEU A 94 34.222 27.610 18.307 1.00 0.00 H new ATOM 0 HG LEU A 94 37.198 27.361 18.862 1.00 0.00 H new ATOM 0 HD11 LEU A 94 36.448 26.785 21.182 1.00 0.00 H new ATOM 0 HD12 LEU A 94 35.945 28.431 20.729 1.00 0.00 H new ATOM 0 HD13 LEU A 94 34.763 27.101 20.705 1.00 0.00 H new ATOM 0 HD21 LEU A 94 36.662 25.012 19.466 1.00 0.00 H new ATOM 0 HD22 LEU A 94 34.974 25.274 18.966 1.00 0.00 H new ATOM 0 HD23 LEU A 94 36.281 25.351 17.761 1.00 0.00 H new ATOM 1264 N LEU A 95 33.411 28.562 15.833 1.00 0.00 N ATOM 1265 CA LEU A 95 32.445 29.571 15.527 1.00 0.00 C ATOM 1266 C LEU A 95 31.407 29.533 16.595 1.00 0.00 C ATOM 1267 O LEU A 95 30.896 28.463 16.926 1.00 0.00 O ATOM 1268 CB LEU A 95 31.756 29.332 14.173 1.00 0.00 C ATOM 1269 CG LEU A 95 30.633 30.315 13.801 1.00 0.00 C ATOM 1270 CD1 LEU A 95 31.118 31.765 13.641 1.00 0.00 C ATOM 1271 CD2 LEU A 95 29.916 29.855 12.520 1.00 0.00 C ATOM 0 H LEU A 95 32.993 27.646 15.996 1.00 0.00 H new ATOM 0 HA LEU A 95 32.954 30.533 15.472 1.00 0.00 H new ATOM 0 HB2 LEU A 95 32.515 29.367 13.391 1.00 0.00 H new ATOM 0 HB3 LEU A 95 31.343 28.323 14.172 1.00 0.00 H new ATOM 0 HG LEU A 95 29.935 30.309 14.638 1.00 0.00 H new ATOM 0 HD11 LEU A 95 30.275 32.404 13.379 1.00 0.00 H new ATOM 0 HD12 LEU A 95 31.555 32.108 14.579 1.00 0.00 H new ATOM 0 HD13 LEU A 95 31.869 31.813 12.852 1.00 0.00 H new ATOM 0 HD21 LEU A 95 29.125 30.562 12.272 1.00 0.00 H new ATOM 0 HD22 LEU A 95 30.632 29.809 11.699 1.00 0.00 H new ATOM 0 HD23 LEU A 95 29.483 28.868 12.680 1.00 0.00 H new ATOM 1283 N LEU A 96 31.031 30.687 17.174 1.00 0.00 N ATOM 1284 CA LEU A 96 30.011 30.691 18.177 1.00 0.00 C ATOM 1285 C LEU A 96 29.203 31.943 18.175 1.00 0.00 C ATOM 1286 O LEU A 96 29.535 32.918 17.505 1.00 0.00 O ATOM 1287 CB LEU A 96 30.623 30.392 19.556 1.00 0.00 C ATOM 1288 CG LEU A 96 31.408 31.555 20.184 1.00 0.00 C ATOM 1289 CD1 LEU A 96 30.534 32.307 21.201 1.00 0.00 C ATOM 1290 CD2 LEU A 96 32.710 31.061 20.836 1.00 0.00 C ATOM 0 H LEU A 96 31.424 31.602 16.954 1.00 0.00 H new ATOM 0 HA LEU A 96 29.307 29.895 17.937 1.00 0.00 H new ATOM 0 HB2 LEU A 96 29.822 30.104 20.237 1.00 0.00 H new ATOM 0 HB3 LEU A 96 31.287 29.533 19.463 1.00 0.00 H new ATOM 0 HG LEU A 96 31.681 32.247 19.388 1.00 0.00 H new ATOM 0 HD11 LEU A 96 31.106 33.127 21.636 1.00 0.00 H new ATOM 0 HD12 LEU A 96 29.652 32.705 20.699 1.00 0.00 H new ATOM 0 HD13 LEU A 96 30.224 31.622 21.990 1.00 0.00 H new ATOM 0 HD21 LEU A 96 33.243 31.907 21.271 1.00 0.00 H new ATOM 0 HD22 LEU A 96 32.474 30.339 21.618 1.00 0.00 H new ATOM 0 HD23 LEU A 96 33.337 30.586 20.082 1.00 0.00 H new ATOM 1302 N GLU A 97 28.087 31.936 18.926 1.00 0.00 N ATOM 1303 CA GLU A 97 27.177 33.029 19.074 1.00 0.00 C ATOM 1304 C GLU A 97 27.125 33.505 20.485 1.00 0.00 C ATOM 1305 O GLU A 97 27.165 32.735 21.443 1.00 0.00 O ATOM 1306 CB GLU A 97 25.759 32.623 18.636 1.00 0.00 C ATOM 1307 CG GLU A 97 24.816 33.811 18.440 1.00 0.00 C ATOM 1308 CD GLU A 97 23.427 33.420 17.956 1.00 0.00 C ATOM 1309 OE1 GLU A 97 22.835 32.472 18.535 1.00 0.00 O ATOM 1310 OE2 GLU A 97 22.883 34.088 17.036 1.00 0.00 O ATOM 0 H GLU A 97 27.803 31.116 19.463 1.00 0.00 H new ATOM 0 HA GLU A 97 27.541 33.836 18.438 1.00 0.00 H new ATOM 0 HB2 GLU A 97 25.822 32.062 17.704 1.00 0.00 H new ATOM 0 HB3 GLU A 97 25.335 31.952 19.383 1.00 0.00 H new ATOM 0 HG2 GLU A 97 24.724 34.349 19.383 1.00 0.00 H new ATOM 0 HG3 GLU A 97 25.260 34.501 17.722 1.00 0.00 H new ATOM 1317 N LYS A 98 26.988 34.831 20.671 1.00 0.00 N ATOM 1318 CA LYS A 98 26.996 35.528 21.918 1.00 0.00 C ATOM 1319 C LYS A 98 25.725 35.385 22.684 1.00 0.00 C ATOM 1320 O LYS A 98 24.648 35.176 22.127 1.00 0.00 O ATOM 1321 CB LYS A 98 27.243 37.009 21.583 1.00 0.00 C ATOM 1322 CG LYS A 98 27.552 37.939 22.757 1.00 0.00 C ATOM 1323 CD LYS A 98 28.754 37.483 23.589 1.00 0.00 C ATOM 1324 CE LYS A 98 28.911 38.237 24.910 1.00 0.00 C ATOM 1325 NZ LYS A 98 29.759 39.439 24.748 1.00 0.00 N ATOM 0 H LYS A 98 26.861 35.465 19.882 1.00 0.00 H new ATOM 0 HA LYS A 98 27.771 35.107 22.559 1.00 0.00 H new ATOM 0 HB2 LYS A 98 28.073 37.064 20.878 1.00 0.00 H new ATOM 0 HB3 LYS A 98 26.362 37.393 21.069 1.00 0.00 H new ATOM 0 HG2 LYS A 98 27.742 38.943 22.377 1.00 0.00 H new ATOM 0 HG3 LYS A 98 26.675 38.003 23.402 1.00 0.00 H new ATOM 0 HD2 LYS A 98 28.656 36.418 23.799 1.00 0.00 H new ATOM 0 HD3 LYS A 98 29.662 37.610 22.999 1.00 0.00 H new ATOM 0 HE2 LYS A 98 27.929 38.530 25.282 1.00 0.00 H new ATOM 0 HE3 LYS A 98 29.352 37.577 25.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 29.846 39.928 25.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 30.703 39.156 24.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 29.325 40.079 24.053 1.00 0.00 H new