USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -163:sc= -0.0214 (180deg=-0.242) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 168:sc= -0.474 USER MOD Single : A 21 GLN : amide:sc= -0.333 K(o=-0.33,f=-1.9) USER MOD Single : A 24 LYS NZ :NH3+ 149:sc= -1.12 (180deg=-2.29) USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= -0.132 (180deg=-0.541) USER MOD Single : A 30 THR OG1 : rot 180:sc=-0.00139 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -58:sc= 0.993 USER MOD Single : A 40 ASN : amide:sc= 0.248 K(o=0.25,f=-3.1!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.726 K(o=-0.73,f=-0.039) USER MOD Single : A 71 THR OG1 : rot 110:sc= -3.93! USER MOD Single : A 77 ASN : amide:sc= -0.301 K(o=-0.3,f=-0.8) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 8 7.554 9.826 -7.669 1.00 2.50 N ATOM 84 CA ASP A 8 6.108 9.936 -7.824 1.00 43.02 C ATOM 85 C ASP A 8 5.541 11.005 -6.895 1.00 45.12 C ATOM 86 O ASP A 8 4.327 11.175 -6.798 1.00 53.12 O ATOM 87 CB ASP A 8 5.440 8.590 -7.540 1.00 60.25 C ATOM 88 CG ASP A 8 5.916 7.969 -6.242 1.00 0.54 C ATOM 89 OD1 ASP A 8 5.687 8.577 -5.175 1.00 34.25 O ATOM 90 OD2 ASP A 8 6.517 6.876 -6.292 1.00 42.31 O ATOM 0 HA ASP A 8 5.899 10.227 -8.853 1.00 43.02 H new ATOM 0 HB2 ASP A 8 4.359 8.726 -7.499 1.00 60.25 H new ATOM 0 HB3 ASP A 8 5.645 7.905 -8.363 1.00 60.25 H new ATOM 95 N GLU A 9 6.430 11.722 -6.214 1.00 62.30 N ATOM 96 CA GLU A 9 6.017 12.773 -5.291 1.00 62.35 C ATOM 97 C GLU A 9 6.241 14.153 -5.903 1.00 64.42 C ATOM 98 O GLU A 9 5.589 15.125 -5.522 1.00 42.25 O ATOM 99 CB GLU A 9 6.786 12.656 -3.973 1.00 53.05 C ATOM 100 CG GLU A 9 6.060 11.842 -2.916 1.00 32.23 C ATOM 101 CD GLU A 9 4.863 12.572 -2.337 1.00 23.41 C ATOM 102 OE1 GLU A 9 4.790 13.808 -2.492 1.00 40.41 O ATOM 103 OE2 GLU A 9 4.000 11.905 -1.729 1.00 31.03 O ATOM 0 H GLU A 9 7.440 11.594 -6.284 1.00 62.30 H new ATOM 0 HA GLU A 9 4.952 12.651 -5.094 1.00 62.35 H new ATOM 0 HB2 GLU A 9 7.757 12.200 -4.168 1.00 53.05 H new ATOM 0 HB3 GLU A 9 6.976 13.656 -3.583 1.00 53.05 H new ATOM 0 HG2 GLU A 9 5.730 10.899 -3.352 1.00 32.23 H new ATOM 0 HG3 GLU A 9 6.754 11.596 -2.112 1.00 32.23 H new ATOM 110 N ILE A 10 7.168 14.229 -6.852 1.00 62.03 N ATOM 111 CA ILE A 10 7.478 15.489 -7.517 1.00 23.41 C ATOM 112 C ILE A 10 6.283 15.998 -8.314 1.00 54.33 C ATOM 113 O ILE A 10 5.827 17.126 -8.119 1.00 65.41 O ATOM 114 CB ILE A 10 8.687 15.345 -8.461 1.00 33.42 C ATOM 115 CG1 ILE A 10 9.920 14.888 -7.679 1.00 44.12 C ATOM 116 CG2 ILE A 10 8.962 16.660 -9.174 1.00 15.01 C ATOM 117 CD1 ILE A 10 10.835 13.979 -8.471 1.00 11.55 C ATOM 0 H ILE A 10 7.717 13.434 -7.178 1.00 62.03 H new ATOM 0 HA ILE A 10 7.722 16.207 -6.734 1.00 23.41 H new ATOM 0 HB ILE A 10 8.456 14.589 -9.212 1.00 33.42 H new ATOM 0 HG12 ILE A 10 10.482 15.765 -7.357 1.00 44.12 H new ATOM 0 HG13 ILE A 10 9.596 14.368 -6.777 1.00 44.12 H new ATOM 0 HG21 ILE A 10 9.819 16.542 -9.837 1.00 15.01 H new ATOM 0 HG22 ILE A 10 8.088 16.947 -9.758 1.00 15.01 H new ATOM 0 HG23 ILE A 10 9.177 17.435 -8.438 1.00 15.01 H new ATOM 0 HD11 ILE A 10 11.688 13.694 -7.855 1.00 11.55 H new ATOM 0 HD12 ILE A 10 10.289 13.084 -8.770 1.00 11.55 H new ATOM 0 HD13 ILE A 10 11.188 14.503 -9.359 1.00 11.55 H new ATOM 129 N PHE A 11 5.777 15.160 -9.213 1.00 34.14 N ATOM 130 CA PHE A 11 4.632 15.525 -10.040 1.00 23.23 C ATOM 131 C PHE A 11 3.354 15.576 -9.208 1.00 2.23 C ATOM 132 O PHE A 11 2.459 16.378 -9.474 1.00 4.42 O ATOM 133 CB PHE A 11 4.467 14.527 -11.188 1.00 2.02 C ATOM 134 CG PHE A 11 3.656 13.318 -10.819 1.00 63.31 C ATOM 135 CD1 PHE A 11 4.165 12.364 -9.952 1.00 41.11 C ATOM 136 CD2 PHE A 11 2.385 13.135 -11.339 1.00 21.30 C ATOM 137 CE1 PHE A 11 3.421 11.250 -9.612 1.00 3.11 C ATOM 138 CE2 PHE A 11 1.636 12.023 -11.002 1.00 64.30 C ATOM 139 CZ PHE A 11 2.155 11.080 -10.136 1.00 70.24 C ATOM 0 H PHE A 11 6.142 14.224 -9.388 1.00 34.14 H new ATOM 0 HA PHE A 11 4.815 16.517 -10.453 1.00 23.23 H new ATOM 0 HB2 PHE A 11 3.992 15.030 -12.031 1.00 2.02 H new ATOM 0 HB3 PHE A 11 5.453 14.205 -11.523 1.00 2.02 H new ATOM 0 HD1 PHE A 11 5.154 12.493 -9.537 1.00 41.11 H new ATOM 0 HD2 PHE A 11 1.974 13.870 -12.016 1.00 21.30 H new ATOM 0 HE1 PHE A 11 3.830 10.513 -8.937 1.00 3.11 H new ATOM 0 HE2 PHE A 11 0.647 11.892 -11.415 1.00 64.30 H new ATOM 0 HZ PHE A 11 1.571 10.211 -9.869 1.00 70.24 H new ATOM 149 N SER A 12 3.276 14.714 -8.199 1.00 65.54 N ATOM 150 CA SER A 12 2.107 14.657 -7.331 1.00 32.34 C ATOM 151 C SER A 12 2.022 15.901 -6.451 1.00 63.52 C ATOM 152 O SER A 12 0.946 16.464 -6.254 1.00 13.31 O ATOM 153 CB SER A 12 2.155 13.402 -6.456 1.00 43.30 C ATOM 154 OG SER A 12 0.981 13.281 -5.672 1.00 40.42 O ATOM 0 H SER A 12 4.009 14.045 -7.963 1.00 65.54 H new ATOM 0 HA SER A 12 1.219 14.618 -7.962 1.00 32.34 H new ATOM 0 HB2 SER A 12 2.268 12.520 -7.086 1.00 43.30 H new ATOM 0 HB3 SER A 12 3.028 13.442 -5.805 1.00 43.30 H new ATOM 0 HG SER A 12 1.036 12.471 -5.123 1.00 40.42 H new ATOM 160 N LYS A 13 3.166 16.324 -5.925 1.00 24.24 N ATOM 161 CA LYS A 13 3.225 17.501 -5.067 1.00 1.33 C ATOM 162 C LYS A 13 2.955 18.771 -5.867 1.00 40.50 C ATOM 163 O LYS A 13 2.156 19.615 -5.461 1.00 11.24 O ATOM 164 CB LYS A 13 4.593 17.595 -4.387 1.00 42.23 C ATOM 165 CG LYS A 13 4.678 18.692 -3.340 1.00 22.21 C ATOM 166 CD LYS A 13 6.100 19.203 -3.182 1.00 43.10 C ATOM 167 CE LYS A 13 6.985 18.183 -2.482 1.00 31.01 C ATOM 168 NZ LYS A 13 6.591 17.991 -1.059 1.00 3.55 N ATOM 0 H LYS A 13 4.066 15.869 -6.078 1.00 24.24 H new ATOM 0 HA LYS A 13 2.453 17.402 -4.304 1.00 1.33 H new ATOM 0 HB2 LYS A 13 4.823 16.638 -3.918 1.00 42.23 H new ATOM 0 HB3 LYS A 13 5.356 17.769 -5.146 1.00 42.23 H new ATOM 0 HG2 LYS A 13 4.023 19.517 -3.622 1.00 22.21 H new ATOM 0 HG3 LYS A 13 4.319 18.312 -2.384 1.00 22.21 H new ATOM 0 HD2 LYS A 13 6.516 19.434 -4.163 1.00 43.10 H new ATOM 0 HD3 LYS A 13 6.093 20.132 -2.612 1.00 43.10 H new ATOM 0 HE2 LYS A 13 6.926 17.230 -3.007 1.00 31.01 H new ATOM 0 HE3 LYS A 13 8.024 18.510 -2.530 1.00 31.01 H new ATOM 0 HZ1 LYS A 13 7.366 17.527 -0.544 1.00 3.55 H new ATOM 0 HZ2 LYS A 13 6.392 18.915 -0.626 1.00 3.55 H new ATOM 0 HZ3 LYS A 13 5.739 17.396 -1.012 1.00 3.55 H new ATOM 182 N VAL A 14 3.625 18.901 -7.008 1.00 24.34 N ATOM 183 CA VAL A 14 3.456 20.067 -7.866 1.00 75.33 C ATOM 184 C VAL A 14 2.036 20.140 -8.419 1.00 5.43 C ATOM 185 O VAL A 14 1.484 21.226 -8.597 1.00 4.21 O ATOM 186 CB VAL A 14 4.452 20.049 -9.041 1.00 34.41 C ATOM 187 CG1 VAL A 14 3.843 19.348 -10.246 1.00 44.24 C ATOM 188 CG2 VAL A 14 4.881 21.464 -9.397 1.00 31.02 C ATOM 0 H VAL A 14 4.290 18.212 -7.359 1.00 24.34 H new ATOM 0 HA VAL A 14 3.649 20.945 -7.249 1.00 75.33 H new ATOM 0 HB VAL A 14 5.338 19.492 -8.736 1.00 34.41 H new ATOM 0 HG11 VAL A 14 4.561 19.345 -11.066 1.00 44.24 H new ATOM 0 HG12 VAL A 14 3.591 18.321 -9.981 1.00 44.24 H new ATOM 0 HG13 VAL A 14 2.940 19.875 -10.556 1.00 44.24 H new ATOM 0 HG21 VAL A 14 5.585 21.432 -10.229 1.00 31.02 H new ATOM 0 HG22 VAL A 14 4.006 22.048 -9.683 1.00 31.02 H new ATOM 0 HG23 VAL A 14 5.360 21.927 -8.534 1.00 31.02 H new ATOM 198 N ARG A 15 1.451 18.978 -8.688 1.00 21.04 N ATOM 199 CA ARG A 15 0.096 18.910 -9.221 1.00 12.33 C ATOM 200 C ARG A 15 -0.925 19.330 -8.167 1.00 4.13 C ATOM 201 O ARG A 15 -1.834 20.111 -8.445 1.00 51.33 O ATOM 202 CB ARG A 15 -0.213 17.494 -9.709 1.00 61.12 C ATOM 203 CG ARG A 15 -1.530 17.382 -10.459 1.00 60.24 C ATOM 204 CD ARG A 15 -1.448 18.037 -11.829 1.00 72.45 C ATOM 205 NE ARG A 15 -0.243 17.642 -12.554 1.00 21.13 N ATOM 206 CZ ARG A 15 0.235 18.304 -13.601 1.00 3.50 C ATOM 207 NH1 ARG A 15 -0.386 19.389 -14.044 1.00 32.31 N ATOM 208 NH2 ARG A 15 1.338 17.883 -14.207 1.00 52.03 N ATOM 0 H ARG A 15 1.894 18.070 -8.546 1.00 21.04 H new ATOM 0 HA ARG A 15 0.029 19.600 -10.062 1.00 12.33 H new ATOM 0 HB2 ARG A 15 0.595 17.158 -10.359 1.00 61.12 H new ATOM 0 HB3 ARG A 15 -0.234 16.820 -8.853 1.00 61.12 H new ATOM 0 HG2 ARG A 15 -1.797 16.331 -10.572 1.00 60.24 H new ATOM 0 HG3 ARG A 15 -2.323 17.852 -9.877 1.00 60.24 H new ATOM 0 HD2 ARG A 15 -2.327 17.766 -12.413 1.00 72.45 H new ATOM 0 HD3 ARG A 15 -1.463 19.121 -11.714 1.00 72.45 H new ATOM 0 HE ARG A 15 0.259 16.812 -12.239 1.00 21.13 H new ATOM 0 HH11 ARG A 15 -1.233 19.717 -13.580 1.00 32.31 H new ATOM 0 HH12 ARG A 15 -0.016 19.895 -14.849 1.00 32.31 H new ATOM 0 HH21 ARG A 15 1.820 17.050 -13.869 1.00 52.03 H new ATOM 0 HH22 ARG A 15 1.704 18.392 -15.011 1.00 52.03 H new ATOM 222 N SER A 16 -0.767 18.805 -6.956 1.00 1.23 N ATOM 223 CA SER A 16 -1.677 19.122 -5.861 1.00 24.20 C ATOM 224 C SER A 16 -1.774 20.630 -5.654 1.00 44.32 C ATOM 225 O SER A 16 -2.770 21.134 -5.134 1.00 61.51 O ATOM 226 CB SER A 16 -1.209 18.448 -4.570 1.00 22.42 C ATOM 227 OG SER A 16 -2.240 18.435 -3.598 1.00 52.42 O ATOM 0 H SER A 16 -0.018 18.159 -6.708 1.00 1.23 H new ATOM 0 HA SER A 16 -2.666 18.745 -6.122 1.00 24.20 H new ATOM 0 HB2 SER A 16 -0.893 17.427 -4.783 1.00 22.42 H new ATOM 0 HB3 SER A 16 -0.340 18.975 -4.176 1.00 22.42 H new ATOM 0 HG SER A 16 -1.916 17.998 -2.783 1.00 52.42 H new ATOM 233 N ILE A 17 -0.732 21.345 -6.065 1.00 2.51 N ATOM 234 CA ILE A 17 -0.699 22.796 -5.926 1.00 53.11 C ATOM 235 C ILE A 17 -1.736 23.458 -6.827 1.00 71.04 C ATOM 236 O ILE A 17 -2.575 24.230 -6.362 1.00 73.32 O ATOM 237 CB ILE A 17 0.693 23.363 -6.262 1.00 31.32 C ATOM 238 CG1 ILE A 17 1.733 22.841 -5.268 1.00 60.03 C ATOM 239 CG2 ILE A 17 0.662 24.884 -6.254 1.00 74.35 C ATOM 240 CD1 ILE A 17 3.158 22.988 -5.753 1.00 5.43 C ATOM 0 H ILE A 17 0.100 20.943 -6.497 1.00 2.51 H new ATOM 0 HA ILE A 17 -0.931 23.018 -4.884 1.00 53.11 H new ATOM 0 HB ILE A 17 0.973 23.030 -7.261 1.00 31.32 H new ATOM 0 HG12 ILE A 17 1.622 23.375 -4.324 1.00 60.03 H new ATOM 0 HG13 ILE A 17 1.534 21.789 -5.065 1.00 60.03 H new ATOM 0 HG21 ILE A 17 1.653 25.269 -6.493 1.00 74.35 H new ATOM 0 HG22 ILE A 17 -0.054 25.237 -6.996 1.00 74.35 H new ATOM 0 HG23 ILE A 17 0.364 25.237 -5.267 1.00 74.35 H new ATOM 0 HD11 ILE A 17 3.841 22.598 -4.999 1.00 5.43 H new ATOM 0 HD12 ILE A 17 3.286 22.431 -6.681 1.00 5.43 H new ATOM 0 HD13 ILE A 17 3.376 24.041 -5.929 1.00 5.43 H new ATOM 252 N ILE A 18 -1.673 23.150 -8.118 1.00 61.42 N ATOM 253 CA ILE A 18 -2.608 23.712 -9.084 1.00 52.32 C ATOM 254 C ILE A 18 -3.972 23.036 -8.987 1.00 43.43 C ATOM 255 O ILE A 18 -5.002 23.652 -9.262 1.00 21.42 O ATOM 256 CB ILE A 18 -2.081 23.575 -10.525 1.00 23.44 C ATOM 257 CG1 ILE A 18 -1.835 22.103 -10.862 1.00 70.44 C ATOM 258 CG2 ILE A 18 -0.805 24.384 -10.701 1.00 41.32 C ATOM 259 CD1 ILE A 18 -1.326 21.882 -12.270 1.00 11.42 C ATOM 0 H ILE A 18 -0.984 22.514 -8.519 1.00 61.42 H new ATOM 0 HA ILE A 18 -2.711 24.770 -8.843 1.00 52.32 H new ATOM 0 HB ILE A 18 -2.833 23.965 -11.211 1.00 23.44 H new ATOM 0 HG12 ILE A 18 -1.114 21.692 -10.155 1.00 70.44 H new ATOM 0 HG13 ILE A 18 -2.764 21.548 -10.729 1.00 70.44 H new ATOM 0 HG21 ILE A 18 -0.445 24.277 -11.724 1.00 41.32 H new ATOM 0 HG22 ILE A 18 -1.009 25.435 -10.496 1.00 41.32 H new ATOM 0 HG23 ILE A 18 -0.045 24.020 -10.009 1.00 41.32 H new ATOM 0 HD11 ILE A 18 -1.174 20.816 -12.439 1.00 11.42 H new ATOM 0 HD12 ILE A 18 -2.056 22.262 -12.985 1.00 11.42 H new ATOM 0 HD13 ILE A 18 -0.381 22.409 -12.402 1.00 11.42 H new ATOM 271 N SER A 19 -3.970 21.767 -8.593 1.00 71.02 N ATOM 272 CA SER A 19 -5.207 21.006 -8.461 1.00 60.04 C ATOM 273 C SER A 19 -6.237 21.780 -7.644 1.00 42.32 C ATOM 274 O SER A 19 -7.442 21.614 -7.828 1.00 30.44 O ATOM 275 CB SER A 19 -4.930 19.653 -7.804 1.00 34.43 C ATOM 276 OG SER A 19 -4.761 19.791 -6.404 1.00 2.14 O ATOM 0 H SER A 19 -3.126 21.244 -8.360 1.00 71.02 H new ATOM 0 HA SER A 19 -5.611 20.841 -9.460 1.00 60.04 H new ATOM 0 HB2 SER A 19 -5.755 18.970 -8.008 1.00 34.43 H new ATOM 0 HB3 SER A 19 -4.034 19.210 -8.240 1.00 34.43 H new ATOM 0 HG SER A 19 -4.778 18.906 -5.984 1.00 2.14 H new ATOM 282 N GLU A 20 -5.751 22.627 -6.742 1.00 14.22 N ATOM 283 CA GLU A 20 -6.629 23.427 -5.896 1.00 34.34 C ATOM 284 C GLU A 20 -7.564 24.288 -6.741 1.00 23.40 C ATOM 285 O GLU A 20 -8.784 24.218 -6.601 1.00 34.24 O ATOM 286 CB GLU A 20 -5.805 24.315 -4.962 1.00 45.32 C ATOM 287 CG GLU A 20 -6.603 24.887 -3.803 1.00 53.31 C ATOM 288 CD GLU A 20 -7.224 23.810 -2.934 1.00 44.33 C ATOM 289 OE1 GLU A 20 -6.516 22.838 -2.599 1.00 35.44 O ATOM 290 OE2 GLU A 20 -8.417 23.941 -2.590 1.00 51.10 O ATOM 0 H GLU A 20 -4.755 22.777 -6.578 1.00 14.22 H new ATOM 0 HA GLU A 20 -7.233 22.745 -5.298 1.00 34.34 H new ATOM 0 HB2 GLU A 20 -4.971 23.736 -4.566 1.00 45.32 H new ATOM 0 HB3 GLU A 20 -5.378 25.136 -5.538 1.00 45.32 H new ATOM 0 HG2 GLU A 20 -5.952 25.511 -3.191 1.00 53.31 H new ATOM 0 HG3 GLU A 20 -7.390 25.533 -4.192 1.00 53.31 H new ATOM 297 N GLN A 21 -6.980 25.099 -7.618 1.00 33.54 N ATOM 298 CA GLN A 21 -7.760 25.974 -8.484 1.00 73.25 C ATOM 299 C GLN A 21 -8.209 25.236 -9.741 1.00 73.33 C ATOM 300 O GLN A 21 -9.373 25.314 -10.138 1.00 2.40 O ATOM 301 CB GLN A 21 -6.942 27.208 -8.868 1.00 63.34 C ATOM 302 CG GLN A 21 -7.676 28.159 -9.800 1.00 5.14 C ATOM 303 CD GLN A 21 -8.930 28.736 -9.174 1.00 72.12 C ATOM 304 OE1 GLN A 21 -9.142 28.627 -7.966 1.00 73.32 O ATOM 305 NE2 GLN A 21 -9.770 29.355 -9.995 1.00 75.13 N ATOM 0 H GLN A 21 -5.971 25.168 -7.747 1.00 33.54 H new ATOM 0 HA GLN A 21 -8.646 26.291 -7.934 1.00 73.25 H new ATOM 0 HB2 GLN A 21 -6.662 27.745 -7.961 1.00 63.34 H new ATOM 0 HB3 GLN A 21 -6.017 26.886 -9.346 1.00 63.34 H new ATOM 0 HG2 GLN A 21 -7.008 28.973 -10.083 1.00 5.14 H new ATOM 0 HG3 GLN A 21 -7.941 27.631 -10.716 1.00 5.14 H new ATOM 0 HE21 GLN A 21 -9.554 29.422 -10.990 1.00 75.13 H new ATOM 0 HE22 GLN A 21 -10.631 29.763 -9.631 1.00 75.13 H new ATOM 314 N LEU A 22 -7.280 24.519 -10.364 1.00 51.32 N ATOM 315 CA LEU A 22 -7.580 23.767 -11.577 1.00 70.54 C ATOM 316 C LEU A 22 -8.642 22.705 -11.311 1.00 20.43 C ATOM 317 O LEU A 22 -9.404 22.336 -12.205 1.00 22.01 O ATOM 318 CB LEU A 22 -6.310 23.109 -12.120 1.00 50.12 C ATOM 319 CG LEU A 22 -5.458 23.966 -13.057 1.00 11.52 C ATOM 320 CD1 LEU A 22 -5.090 25.282 -12.389 1.00 54.51 C ATOM 321 CD2 LEU A 22 -4.206 23.212 -13.479 1.00 4.22 C ATOM 0 H LEU A 22 -6.313 24.443 -10.049 1.00 51.32 H new ATOM 0 HA LEU A 22 -7.967 24.464 -12.320 1.00 70.54 H new ATOM 0 HB2 LEU A 22 -5.692 22.806 -11.275 1.00 50.12 H new ATOM 0 HB3 LEU A 22 -6.594 22.200 -12.650 1.00 50.12 H new ATOM 0 HG LEU A 22 -6.043 24.186 -13.950 1.00 11.52 H new ATOM 0 HD11 LEU A 22 -4.484 25.879 -13.070 1.00 54.51 H new ATOM 0 HD12 LEU A 22 -5.999 25.829 -12.138 1.00 54.51 H new ATOM 0 HD13 LEU A 22 -4.523 25.082 -11.479 1.00 54.51 H new ATOM 0 HD21 LEU A 22 -3.612 23.837 -14.146 1.00 4.22 H new ATOM 0 HD22 LEU A 22 -3.618 22.961 -12.596 1.00 4.22 H new ATOM 0 HD23 LEU A 22 -4.490 22.297 -13.998 1.00 4.22 H new ATOM 333 N ASP A 23 -8.688 22.218 -10.075 1.00 43.43 N ATOM 334 CA ASP A 23 -9.659 21.201 -9.690 1.00 23.05 C ATOM 335 C ASP A 23 -9.635 20.029 -10.666 1.00 54.43 C ATOM 336 O ASP A 23 -10.670 19.429 -10.957 1.00 60.24 O ATOM 337 CB ASP A 23 -11.063 21.803 -9.629 1.00 74.03 C ATOM 338 CG ASP A 23 -12.058 20.885 -8.946 1.00 41.02 C ATOM 339 OD1 ASP A 23 -11.640 20.113 -8.058 1.00 10.15 O ATOM 340 OD2 ASP A 23 -13.254 20.939 -9.300 1.00 13.05 O ATOM 0 H ASP A 23 -8.064 22.511 -9.323 1.00 43.43 H new ATOM 0 HA ASP A 23 -9.388 20.831 -8.701 1.00 23.05 H new ATOM 0 HB2 ASP A 23 -11.025 22.753 -9.096 1.00 74.03 H new ATOM 0 HB3 ASP A 23 -11.407 22.018 -10.641 1.00 74.03 H new ATOM 345 N LYS A 24 -8.448 19.710 -11.171 1.00 34.24 N ATOM 346 CA LYS A 24 -8.289 18.610 -12.115 1.00 4.32 C ATOM 347 C LYS A 24 -7.649 17.402 -11.439 1.00 64.32 C ATOM 348 O LYS A 24 -7.282 17.455 -10.265 1.00 52.20 O ATOM 349 CB LYS A 24 -7.436 19.053 -13.306 1.00 4.34 C ATOM 350 CG LYS A 24 -6.039 19.507 -12.918 1.00 23.30 C ATOM 351 CD LYS A 24 -5.014 18.406 -13.137 1.00 34.12 C ATOM 352 CE LYS A 24 -4.529 18.374 -14.578 1.00 52.50 C ATOM 353 NZ LYS A 24 -3.278 17.580 -14.725 1.00 12.21 N ATOM 0 H LYS A 24 -7.582 20.198 -10.942 1.00 34.24 H new ATOM 0 HA LYS A 24 -9.278 18.323 -12.471 1.00 4.32 H new ATOM 0 HB2 LYS A 24 -7.357 18.227 -14.013 1.00 4.34 H new ATOM 0 HB3 LYS A 24 -7.943 19.868 -13.823 1.00 4.34 H new ATOM 0 HG2 LYS A 24 -5.764 20.383 -13.505 1.00 23.30 H new ATOM 0 HG3 LYS A 24 -6.031 19.809 -11.871 1.00 23.30 H new ATOM 0 HD2 LYS A 24 -4.166 18.559 -12.470 1.00 34.12 H new ATOM 0 HD3 LYS A 24 -5.453 17.442 -12.878 1.00 34.12 H new ATOM 0 HE2 LYS A 24 -5.306 17.948 -15.213 1.00 52.50 H new ATOM 0 HE3 LYS A 24 -4.356 19.392 -14.925 1.00 52.50 H new ATOM 0 HZ1 LYS A 24 -3.255 17.140 -15.667 1.00 12.21 H new ATOM 0 HZ2 LYS A 24 -2.455 18.206 -14.615 1.00 12.21 H new ATOM 0 HZ3 LYS A 24 -3.249 16.839 -13.996 1.00 12.21 H new ATOM 367 N LYS A 25 -7.516 16.312 -12.188 1.00 44.44 N ATOM 368 CA LYS A 25 -6.917 15.091 -11.664 1.00 32.33 C ATOM 369 C LYS A 25 -5.485 14.929 -12.162 1.00 63.23 C ATOM 370 O LYS A 25 -5.184 15.223 -13.319 1.00 31.04 O ATOM 371 CB LYS A 25 -7.751 13.874 -12.072 1.00 20.05 C ATOM 372 CG LYS A 25 -8.875 13.554 -11.101 1.00 62.22 C ATOM 373 CD LYS A 25 -10.122 14.366 -11.405 1.00 54.13 C ATOM 374 CE LYS A 25 -10.894 13.784 -12.580 1.00 20.02 C ATOM 375 NZ LYS A 25 -11.421 12.424 -12.278 1.00 0.30 N ATOM 0 H LYS A 25 -7.816 16.250 -13.161 1.00 44.44 H new ATOM 0 HA LYS A 25 -6.898 15.164 -10.577 1.00 32.33 H new ATOM 0 HB2 LYS A 25 -8.175 14.050 -13.061 1.00 20.05 H new ATOM 0 HB3 LYS A 25 -7.096 13.007 -12.155 1.00 20.05 H new ATOM 0 HG2 LYS A 25 -9.110 12.491 -11.153 1.00 62.22 H new ATOM 0 HG3 LYS A 25 -8.546 13.758 -10.082 1.00 62.22 H new ATOM 0 HD2 LYS A 25 -10.764 14.393 -10.524 1.00 54.13 H new ATOM 0 HD3 LYS A 25 -9.842 15.396 -11.627 1.00 54.13 H new ATOM 0 HE2 LYS A 25 -11.722 14.446 -12.834 1.00 20.02 H new ATOM 0 HE3 LYS A 25 -10.244 13.736 -13.454 1.00 20.02 H new ATOM 0 HZ1 LYS A 25 -12.221 12.214 -12.908 1.00 0.30 H new ATOM 0 HZ2 LYS A 25 -10.670 11.720 -12.426 1.00 0.30 H new ATOM 0 HZ3 LYS A 25 -11.740 12.387 -11.289 1.00 0.30 H new ATOM 389 N GLU A 26 -4.606 14.458 -11.283 1.00 12.15 N ATOM 390 CA GLU A 26 -3.206 14.257 -11.635 1.00 62.14 C ATOM 391 C GLU A 26 -3.068 13.219 -12.745 1.00 71.14 C ATOM 392 O GLU A 26 -2.031 13.132 -13.403 1.00 60.41 O ATOM 393 CB GLU A 26 -2.406 13.816 -10.408 1.00 3.12 C ATOM 394 CG GLU A 26 -2.919 12.533 -9.775 1.00 41.52 C ATOM 395 CD GLU A 26 -3.925 12.790 -8.670 1.00 72.12 C ATOM 396 OE1 GLU A 26 -3.752 13.780 -7.929 1.00 52.54 O ATOM 397 OE2 GLU A 26 -4.885 12.001 -8.546 1.00 22.20 O ATOM 0 H GLU A 26 -4.839 14.209 -10.322 1.00 12.15 H new ATOM 0 HA GLU A 26 -2.809 15.206 -11.996 1.00 62.14 H new ATOM 0 HB2 GLU A 26 -1.364 13.678 -10.695 1.00 3.12 H new ATOM 0 HB3 GLU A 26 -2.429 14.613 -9.664 1.00 3.12 H new ATOM 0 HG2 GLU A 26 -3.379 11.912 -10.543 1.00 41.52 H new ATOM 0 HG3 GLU A 26 -2.078 11.970 -9.372 1.00 41.52 H new ATOM 404 N ASP A 27 -4.121 12.434 -12.947 1.00 43.11 N ATOM 405 CA ASP A 27 -4.119 11.402 -13.977 1.00 63.13 C ATOM 406 C ASP A 27 -4.545 11.978 -15.324 1.00 61.42 C ATOM 407 O ASP A 27 -4.798 11.237 -16.274 1.00 2.13 O ATOM 408 CB ASP A 27 -5.049 10.255 -13.582 1.00 35.45 C ATOM 409 CG ASP A 27 -4.614 8.927 -14.169 1.00 62.32 C ATOM 410 OD1 ASP A 27 -3.553 8.413 -13.754 1.00 54.34 O ATOM 411 OD2 ASP A 27 -5.334 8.400 -15.043 1.00 44.52 O ATOM 0 H ASP A 27 -4.987 12.493 -12.411 1.00 43.11 H new ATOM 0 HA ASP A 27 -3.103 11.019 -14.071 1.00 63.13 H new ATOM 0 HB2 ASP A 27 -5.081 10.175 -12.495 1.00 35.45 H new ATOM 0 HB3 ASP A 27 -6.062 10.482 -13.915 1.00 35.45 H new ATOM 416 N GLU A 28 -4.623 13.303 -15.398 1.00 20.33 N ATOM 417 CA GLU A 28 -5.021 13.977 -16.628 1.00 63.42 C ATOM 418 C GLU A 28 -3.876 13.986 -17.638 1.00 12.45 C ATOM 419 O GLU A 28 -4.038 14.439 -18.771 1.00 53.40 O ATOM 420 CB GLU A 28 -5.465 15.410 -16.330 1.00 45.31 C ATOM 421 CG GLU A 28 -6.912 15.519 -15.882 1.00 74.51 C ATOM 422 CD GLU A 28 -7.877 15.632 -17.047 1.00 5.41 C ATOM 423 OE1 GLU A 28 -7.778 16.620 -17.805 1.00 34.13 O ATOM 424 OE2 GLU A 28 -8.729 14.733 -17.200 1.00 73.14 O ATOM 0 H GLU A 28 -4.416 13.931 -14.621 1.00 20.33 H new ATOM 0 HA GLU A 28 -5.858 13.428 -17.059 1.00 63.42 H new ATOM 0 HB2 GLU A 28 -4.821 15.827 -15.555 1.00 45.31 H new ATOM 0 HB3 GLU A 28 -5.323 16.018 -17.223 1.00 45.31 H new ATOM 0 HG2 GLU A 28 -7.170 14.645 -15.285 1.00 74.51 H new ATOM 0 HG3 GLU A 28 -7.024 16.390 -15.237 1.00 74.51 H new ATOM 431 N ILE A 29 -2.720 13.484 -17.217 1.00 51.20 N ATOM 432 CA ILE A 29 -1.549 13.434 -18.084 1.00 11.54 C ATOM 433 C ILE A 29 -1.890 12.811 -19.433 1.00 23.43 C ATOM 434 O ILE A 29 -2.143 11.609 -19.528 1.00 41.22 O ATOM 435 CB ILE A 29 -0.403 12.635 -17.436 1.00 0.32 C ATOM 436 CG1 ILE A 29 0.002 13.271 -16.104 1.00 44.14 C ATOM 437 CG2 ILE A 29 0.789 12.561 -18.378 1.00 61.41 C ATOM 438 CD1 ILE A 29 0.586 14.659 -16.250 1.00 52.15 C ATOM 0 H ILE A 29 -2.569 13.106 -16.282 1.00 51.20 H new ATOM 0 HA ILE A 29 -1.223 14.463 -18.235 1.00 11.54 H new ATOM 0 HB ILE A 29 -0.751 11.621 -17.242 1.00 0.32 H new ATOM 0 HG12 ILE A 29 -0.871 13.320 -15.453 1.00 44.14 H new ATOM 0 HG13 ILE A 29 0.732 12.629 -15.611 1.00 44.14 H new ATOM 0 HG21 ILE A 29 1.591 11.993 -17.906 1.00 61.41 H new ATOM 0 HG22 ILE A 29 0.491 12.068 -19.303 1.00 61.41 H new ATOM 0 HG23 ILE A 29 1.140 13.569 -18.600 1.00 61.41 H new ATOM 0 HD11 ILE A 29 0.850 15.048 -15.267 1.00 52.15 H new ATOM 0 HD12 ILE A 29 1.478 14.614 -16.874 1.00 52.15 H new ATOM 0 HD13 ILE A 29 -0.149 15.316 -16.714 1.00 52.15 H new ATOM 450 N THR A 30 -1.893 13.635 -20.476 1.00 24.21 N ATOM 451 CA THR A 30 -2.201 13.165 -21.820 1.00 71.35 C ATOM 452 C THR A 30 -1.805 14.198 -22.869 1.00 12.34 C ATOM 453 O THR A 30 -1.673 15.385 -22.567 1.00 40.13 O ATOM 454 CB THR A 30 -3.700 12.843 -21.973 1.00 42.53 C ATOM 455 OG1 THR A 30 -3.982 12.450 -23.321 1.00 43.51 O ATOM 456 CG2 THR A 30 -4.552 14.048 -21.602 1.00 60.30 C ATOM 0 H THR A 30 -1.685 14.632 -20.415 1.00 24.21 H new ATOM 0 HA THR A 30 -1.623 12.254 -21.976 1.00 71.35 H new ATOM 0 HB THR A 30 -3.944 12.023 -21.298 1.00 42.53 H new ATOM 0 HG1 THR A 30 -4.936 12.245 -23.409 1.00 43.51 H new ATOM 0 HG21 THR A 30 -5.607 13.797 -21.718 1.00 60.30 H new ATOM 0 HG22 THR A 30 -4.357 14.327 -20.567 1.00 60.30 H new ATOM 0 HG23 THR A 30 -4.304 14.884 -22.256 1.00 60.30 H new ATOM 464 N THR A 31 -1.617 13.741 -24.103 1.00 13.02 N ATOM 465 CA THR A 31 -1.236 14.626 -25.196 1.00 40.11 C ATOM 466 C THR A 31 -2.447 15.368 -25.750 1.00 44.52 C ATOM 467 O THR A 31 -2.308 16.281 -26.565 1.00 4.12 O ATOM 468 CB THR A 31 -0.558 13.847 -26.339 1.00 52.21 C ATOM 469 OG1 THR A 31 -1.526 13.049 -27.029 1.00 52.15 O ATOM 470 CG2 THR A 31 0.552 12.956 -25.803 1.00 32.12 C ATOM 0 H THR A 31 -1.723 12.762 -24.370 1.00 13.02 H new ATOM 0 HA THR A 31 -0.528 15.347 -24.787 1.00 40.11 H new ATOM 0 HB THR A 31 -0.121 14.567 -27.031 1.00 52.21 H new ATOM 0 HG1 THR A 31 -1.088 12.558 -27.755 1.00 52.15 H new ATOM 0 HG21 THR A 31 1.016 12.416 -26.629 1.00 32.12 H new ATOM 0 HG22 THR A 31 1.302 13.570 -25.304 1.00 32.12 H new ATOM 0 HG23 THR A 31 0.135 12.243 -25.092 1.00 32.12 H new ATOM 478 N ASP A 32 -3.633 14.972 -25.303 1.00 51.33 N ATOM 479 CA ASP A 32 -4.869 15.602 -25.754 1.00 20.14 C ATOM 480 C ASP A 32 -5.284 16.724 -24.807 1.00 24.23 C ATOM 481 O ASP A 32 -6.406 17.225 -24.876 1.00 2.01 O ATOM 482 CB ASP A 32 -5.988 14.564 -25.855 1.00 63.12 C ATOM 483 CG ASP A 32 -5.951 13.800 -27.164 1.00 74.21 C ATOM 484 OD1 ASP A 32 -5.034 12.972 -27.342 1.00 62.10 O ATOM 485 OD2 ASP A 32 -6.840 14.030 -28.011 1.00 51.40 O ATOM 0 H ASP A 32 -3.765 14.218 -24.629 1.00 51.33 H new ATOM 0 HA ASP A 32 -4.691 16.030 -26.740 1.00 20.14 H new ATOM 0 HB2 ASP A 32 -5.905 13.862 -25.025 1.00 63.12 H new ATOM 0 HB3 ASP A 32 -6.952 15.062 -25.755 1.00 63.12 H new ATOM 490 N SER A 33 -4.371 17.112 -23.922 1.00 42.31 N ATOM 491 CA SER A 33 -4.643 18.172 -22.958 1.00 32.44 C ATOM 492 C SER A 33 -3.711 19.359 -23.178 1.00 14.43 C ATOM 493 O SER A 33 -4.162 20.493 -23.344 1.00 3.10 O ATOM 494 CB SER A 33 -4.486 17.643 -21.530 1.00 54.54 C ATOM 495 OG SER A 33 -3.158 17.214 -21.289 1.00 21.33 O ATOM 0 H SER A 33 -3.437 16.708 -23.853 1.00 42.31 H new ATOM 0 HA SER A 33 -5.670 18.507 -23.103 1.00 32.44 H new ATOM 0 HB2 SER A 33 -4.754 18.424 -20.818 1.00 54.54 H new ATOM 0 HB3 SER A 33 -5.175 16.814 -21.368 1.00 54.54 H new ATOM 0 HG SER A 33 -2.919 16.514 -21.932 1.00 21.33 H new ATOM 501 N ARG A 34 -2.410 19.090 -23.177 1.00 41.51 N ATOM 502 CA ARG A 34 -1.414 20.136 -23.375 1.00 44.22 C ATOM 503 C ARG A 34 -1.489 21.177 -22.262 1.00 52.11 C ATOM 504 O ARG A 34 -2.208 20.998 -21.278 1.00 43.44 O ATOM 505 CB ARG A 34 -1.614 20.811 -24.733 1.00 75.14 C ATOM 506 CG ARG A 34 -1.624 19.838 -25.901 1.00 44.13 C ATOM 507 CD ARG A 34 -2.485 20.349 -27.045 1.00 50.44 C ATOM 508 NE ARG A 34 -3.910 20.173 -26.779 1.00 11.55 N ATOM 509 CZ ARG A 34 -4.850 20.272 -27.712 1.00 12.53 C ATOM 510 NH1 ARG A 34 -4.518 20.544 -28.966 1.00 42.11 N ATOM 511 NH2 ARG A 34 -6.126 20.099 -27.391 1.00 10.01 N ATOM 0 H ARG A 34 -2.021 18.157 -23.041 1.00 41.51 H new ATOM 0 HA ARG A 34 -0.428 19.672 -23.349 1.00 44.22 H new ATOM 0 HB2 ARG A 34 -2.555 21.361 -24.721 1.00 75.14 H new ATOM 0 HB3 ARG A 34 -0.820 21.542 -24.887 1.00 75.14 H new ATOM 0 HG2 ARG A 34 -0.605 19.681 -26.254 1.00 44.13 H new ATOM 0 HG3 ARG A 34 -1.998 18.870 -25.567 1.00 44.13 H new ATOM 0 HD2 ARG A 34 -2.275 21.405 -27.212 1.00 50.44 H new ATOM 0 HD3 ARG A 34 -2.220 19.822 -27.962 1.00 50.44 H new ATOM 0 HE ARG A 34 -4.199 19.962 -25.824 1.00 11.55 H new ATOM 0 HH11 ARG A 34 -3.538 20.678 -29.217 1.00 42.11 H new ATOM 0 HH12 ARG A 34 -5.242 20.619 -29.680 1.00 42.11 H new ATOM 0 HH21 ARG A 34 -6.386 19.890 -26.427 1.00 10.01 H new ATOM 0 HH22 ARG A 34 -6.847 20.175 -28.108 1.00 10.01 H new ATOM 525 N PHE A 35 -0.742 22.264 -22.424 1.00 55.41 N ATOM 526 CA PHE A 35 -0.724 23.333 -21.432 1.00 45.55 C ATOM 527 C PHE A 35 -2.058 24.073 -21.405 1.00 2.23 C ATOM 528 O PHE A 35 -2.470 24.594 -20.368 1.00 74.12 O ATOM 529 CB PHE A 35 0.411 24.316 -21.732 1.00 72.31 C ATOM 530 CG PHE A 35 1.765 23.668 -21.789 1.00 11.31 C ATOM 531 CD1 PHE A 35 2.343 23.139 -20.646 1.00 72.22 C ATOM 532 CD2 PHE A 35 2.460 23.589 -22.985 1.00 32.30 C ATOM 533 CE1 PHE A 35 3.589 22.543 -20.696 1.00 10.32 C ATOM 534 CE2 PHE A 35 3.706 22.994 -23.041 1.00 22.13 C ATOM 535 CZ PHE A 35 4.271 22.470 -21.895 1.00 20.43 C ATOM 0 H PHE A 35 -0.142 22.428 -23.232 1.00 55.41 H new ATOM 0 HA PHE A 35 -0.558 22.884 -20.453 1.00 45.55 H new ATOM 0 HB2 PHE A 35 0.212 24.809 -22.684 1.00 72.31 H new ATOM 0 HB3 PHE A 35 0.420 25.092 -20.967 1.00 72.31 H new ATOM 0 HD1 PHE A 35 1.814 23.193 -19.706 1.00 72.22 H new ATOM 0 HD2 PHE A 35 2.023 23.997 -23.884 1.00 32.30 H new ATOM 0 HE1 PHE A 35 4.029 22.135 -19.798 1.00 10.32 H new ATOM 0 HE2 PHE A 35 4.237 22.939 -23.980 1.00 22.13 H new ATOM 0 HZ PHE A 35 5.244 22.004 -21.936 1.00 20.43 H new ATOM 545 N VAL A 36 -2.728 24.116 -22.552 1.00 31.22 N ATOM 546 CA VAL A 36 -4.016 24.791 -22.660 1.00 61.22 C ATOM 547 C VAL A 36 -5.042 24.171 -21.719 1.00 33.22 C ATOM 548 O VAL A 36 -5.737 24.878 -20.990 1.00 40.31 O ATOM 549 CB VAL A 36 -4.558 24.737 -24.101 1.00 33.12 C ATOM 550 CG1 VAL A 36 -3.771 25.674 -25.003 1.00 41.44 C ATOM 551 CG2 VAL A 36 -4.517 23.312 -24.632 1.00 51.12 C ATOM 0 H VAL A 36 -2.400 23.691 -23.420 1.00 31.22 H new ATOM 0 HA VAL A 36 -3.853 25.832 -22.380 1.00 61.22 H new ATOM 0 HB VAL A 36 -5.597 25.068 -24.093 1.00 33.12 H new ATOM 0 HG11 VAL A 36 -4.168 25.622 -26.017 1.00 41.44 H new ATOM 0 HG12 VAL A 36 -3.857 26.695 -24.631 1.00 41.44 H new ATOM 0 HG13 VAL A 36 -2.722 25.378 -25.009 1.00 41.44 H new ATOM 0 HG21 VAL A 36 -4.903 23.292 -25.651 1.00 51.12 H new ATOM 0 HG22 VAL A 36 -3.488 22.951 -24.627 1.00 51.12 H new ATOM 0 HG23 VAL A 36 -5.130 22.670 -23.999 1.00 51.12 H new ATOM 561 N GLU A 37 -5.131 22.845 -21.740 1.00 34.43 N ATOM 562 CA GLU A 37 -6.074 22.129 -20.887 1.00 40.44 C ATOM 563 C GLU A 37 -5.506 21.944 -19.483 1.00 45.14 C ATOM 564 O GLU A 37 -6.110 22.365 -18.497 1.00 33.51 O ATOM 565 CB GLU A 37 -6.414 20.767 -21.496 1.00 3.22 C ATOM 566 CG GLU A 37 -6.999 20.854 -22.895 1.00 41.54 C ATOM 567 CD GLU A 37 -8.298 21.636 -22.937 1.00 21.51 C ATOM 568 OE1 GLU A 37 -8.241 22.883 -22.936 1.00 33.10 O ATOM 569 OE2 GLU A 37 -9.372 20.998 -22.970 1.00 44.45 O ATOM 0 H GLU A 37 -4.563 22.245 -22.337 1.00 34.43 H new ATOM 0 HA GLU A 37 -6.984 22.724 -20.816 1.00 40.44 H new ATOM 0 HB2 GLU A 37 -5.511 20.157 -21.526 1.00 3.22 H new ATOM 0 HB3 GLU A 37 -7.123 20.255 -20.846 1.00 3.22 H new ATOM 0 HG2 GLU A 37 -6.274 21.325 -23.559 1.00 41.54 H new ATOM 0 HG3 GLU A 37 -7.173 19.847 -23.275 1.00 41.54 H new ATOM 576 N ASP A 38 -4.340 21.312 -19.402 1.00 71.23 N ATOM 577 CA ASP A 38 -3.689 21.071 -18.120 1.00 63.50 C ATOM 578 C ASP A 38 -3.335 22.386 -17.434 1.00 13.40 C ATOM 579 O ASP A 38 -3.866 22.706 -16.369 1.00 62.12 O ATOM 580 CB ASP A 38 -2.427 20.228 -18.315 1.00 73.11 C ATOM 581 CG ASP A 38 -1.694 19.974 -17.013 1.00 24.10 C ATOM 582 OD1 ASP A 38 -2.357 19.937 -15.956 1.00 12.20 O ATOM 583 OD2 ASP A 38 -0.456 19.813 -17.051 1.00 24.32 O ATOM 0 H ASP A 38 -3.827 20.958 -20.209 1.00 71.23 H new ATOM 0 HA ASP A 38 -4.386 20.526 -17.484 1.00 63.50 H new ATOM 0 HB2 ASP A 38 -2.697 19.274 -18.769 1.00 73.11 H new ATOM 0 HB3 ASP A 38 -1.759 20.735 -19.012 1.00 73.11 H new ATOM 588 N LEU A 39 -2.436 23.146 -18.050 1.00 21.32 N ATOM 589 CA LEU A 39 -2.010 24.427 -17.498 1.00 51.32 C ATOM 590 C LEU A 39 -3.050 25.510 -17.770 1.00 70.41 C ATOM 591 O LEU A 39 -4.071 25.257 -18.408 1.00 31.31 O ATOM 592 CB LEU A 39 -0.662 24.838 -18.093 1.00 11.40 C ATOM 593 CG LEU A 39 0.557 24.644 -17.191 1.00 20.33 C ATOM 594 CD1 LEU A 39 1.028 23.198 -17.234 1.00 13.21 C ATOM 595 CD2 LEU A 39 1.680 25.585 -17.601 1.00 62.34 C ATOM 0 H LEU A 39 -1.988 22.897 -18.932 1.00 21.32 H new ATOM 0 HA LEU A 39 -1.905 24.313 -16.419 1.00 51.32 H new ATOM 0 HB2 LEU A 39 -0.504 24.271 -19.010 1.00 11.40 H new ATOM 0 HB3 LEU A 39 -0.717 25.890 -18.374 1.00 11.40 H new ATOM 0 HG LEU A 39 0.268 24.881 -16.167 1.00 20.33 H new ATOM 0 HD11 LEU A 39 1.896 23.079 -16.586 1.00 13.21 H new ATOM 0 HD12 LEU A 39 0.227 22.544 -16.891 1.00 13.21 H new ATOM 0 HD13 LEU A 39 1.299 22.934 -18.256 1.00 13.21 H new ATOM 0 HD21 LEU A 39 2.539 25.433 -16.948 1.00 62.34 H new ATOM 0 HD22 LEU A 39 1.968 25.381 -18.632 1.00 62.34 H new ATOM 0 HD23 LEU A 39 1.339 26.617 -17.517 1.00 62.34 H new ATOM 607 N ASN A 40 -2.781 26.717 -17.283 1.00 74.22 N ATOM 608 CA ASN A 40 -3.693 27.839 -17.475 1.00 73.42 C ATOM 609 C ASN A 40 -3.068 28.900 -18.375 1.00 2.21 C ATOM 610 O ASN A 40 -3.173 30.096 -18.106 1.00 42.50 O ATOM 611 CB ASN A 40 -4.069 28.454 -16.126 1.00 3.42 C ATOM 612 CG ASN A 40 -2.881 28.561 -15.189 1.00 32.15 C ATOM 613 OD1 ASN A 40 -1.736 28.667 -15.629 1.00 14.23 O ATOM 614 ND2 ASN A 40 -3.150 28.532 -13.888 1.00 44.53 N ATOM 0 H ASN A 40 -1.939 26.943 -16.753 1.00 74.22 H new ATOM 0 HA ASN A 40 -4.595 27.464 -17.959 1.00 73.42 H new ATOM 0 HB2 ASN A 40 -4.492 29.446 -16.287 1.00 3.42 H new ATOM 0 HB3 ASN A 40 -4.845 27.849 -15.657 1.00 3.42 H new ATOM 0 HD21 ASN A 40 -2.392 28.599 -13.209 1.00 44.53 H new ATOM 0 HD22 ASN A 40 -4.115 28.443 -13.569 1.00 44.53 H new ATOM 621 N ALA A 41 -2.418 28.453 -19.444 1.00 44.33 N ATOM 622 CA ALA A 41 -1.778 29.364 -20.385 1.00 44.22 C ATOM 623 C ALA A 41 -1.515 28.678 -21.722 1.00 15.24 C ATOM 624 O ALA A 41 -1.871 27.515 -21.913 1.00 51.25 O ATOM 625 CB ALA A 41 -0.479 29.900 -19.801 1.00 21.21 C ATOM 0 H ALA A 41 -2.321 27.466 -19.680 1.00 44.33 H new ATOM 0 HA ALA A 41 -2.456 30.199 -20.562 1.00 44.22 H new ATOM 0 HB1 ALA A 41 -0.012 30.579 -20.515 1.00 21.21 H new ATOM 0 HB2 ALA A 41 -0.690 30.435 -18.875 1.00 21.21 H new ATOM 0 HB3 ALA A 41 0.197 29.070 -19.594 1.00 21.21 H new ATOM 631 N ASP A 42 -0.892 29.405 -22.642 1.00 54.33 N ATOM 632 CA ASP A 42 -0.582 28.866 -23.961 1.00 53.24 C ATOM 633 C ASP A 42 0.910 28.579 -24.094 1.00 1.30 C ATOM 634 O ASP A 42 1.727 29.133 -23.358 1.00 34.24 O ATOM 635 CB ASP A 42 -1.025 29.843 -25.052 1.00 34.30 C ATOM 636 CG ASP A 42 -2.533 29.891 -25.208 1.00 4.42 C ATOM 637 OD1 ASP A 42 -3.072 29.099 -26.007 1.00 61.55 O ATOM 638 OD2 ASP A 42 -3.173 30.723 -24.531 1.00 1.13 O ATOM 0 H ASP A 42 -0.592 30.369 -22.499 1.00 54.33 H new ATOM 0 HA ASP A 42 -1.126 27.929 -24.080 1.00 53.24 H new ATOM 0 HB2 ASP A 42 -0.655 30.840 -24.815 1.00 34.30 H new ATOM 0 HB3 ASP A 42 -0.573 29.553 -26.001 1.00 34.30 H new ATOM 643 N SER A 43 1.259 27.710 -25.037 1.00 31.20 N ATOM 644 CA SER A 43 2.653 27.345 -25.263 1.00 13.41 C ATOM 645 C SER A 43 3.524 28.590 -25.402 1.00 10.03 C ATOM 646 O SER A 43 4.724 28.556 -25.127 1.00 63.23 O ATOM 647 CB SER A 43 2.778 26.479 -26.517 1.00 63.43 C ATOM 648 OG SER A 43 2.450 25.128 -26.239 1.00 41.41 O ATOM 0 H SER A 43 0.596 27.245 -25.657 1.00 31.20 H new ATOM 0 HA SER A 43 2.999 26.775 -24.401 1.00 13.41 H new ATOM 0 HB2 SER A 43 2.119 26.864 -27.295 1.00 63.43 H new ATOM 0 HB3 SER A 43 3.796 26.537 -26.903 1.00 63.43 H new ATOM 0 HG SER A 43 2.536 24.595 -27.057 1.00 41.41 H new ATOM 654 N LEU A 44 2.911 29.688 -25.830 1.00 5.43 N ATOM 655 CA LEU A 44 3.630 30.946 -26.006 1.00 32.23 C ATOM 656 C LEU A 44 4.418 31.303 -24.750 1.00 23.12 C ATOM 657 O LEU A 44 5.609 31.607 -24.818 1.00 24.10 O ATOM 658 CB LEU A 44 2.651 32.072 -26.345 1.00 24.32 C ATOM 659 CG LEU A 44 1.755 31.838 -27.561 1.00 51.22 C ATOM 660 CD1 LEU A 44 0.638 32.869 -27.607 1.00 10.31 C ATOM 661 CD2 LEU A 44 2.574 31.879 -28.843 1.00 51.21 C ATOM 0 H LEU A 44 1.919 29.733 -26.062 1.00 5.43 H new ATOM 0 HA LEU A 44 4.332 30.823 -26.830 1.00 32.23 H new ATOM 0 HB2 LEU A 44 2.014 32.246 -25.478 1.00 24.32 H new ATOM 0 HB3 LEU A 44 3.222 32.986 -26.510 1.00 24.32 H new ATOM 0 HG LEU A 44 1.306 30.849 -27.472 1.00 51.22 H new ATOM 0 HD11 LEU A 44 0.010 32.687 -28.479 1.00 10.31 H new ATOM 0 HD12 LEU A 44 0.034 32.792 -26.703 1.00 10.31 H new ATOM 0 HD13 LEU A 44 1.068 33.869 -27.672 1.00 10.31 H new ATOM 0 HD21 LEU A 44 1.920 31.710 -29.698 1.00 51.21 H new ATOM 0 HD22 LEU A 44 3.052 32.854 -28.938 1.00 51.21 H new ATOM 0 HD23 LEU A 44 3.338 31.102 -28.812 1.00 51.21 H new ATOM 673 N ASP A 45 3.747 31.262 -23.604 1.00 73.24 N ATOM 674 CA ASP A 45 4.385 31.578 -22.332 1.00 22.21 C ATOM 675 C ASP A 45 5.191 30.389 -21.818 1.00 71.31 C ATOM 676 O ASP A 45 6.120 30.552 -21.027 1.00 22.31 O ATOM 677 CB ASP A 45 3.335 31.983 -21.297 1.00 12.42 C ATOM 678 CG ASP A 45 3.948 32.320 -19.952 1.00 15.05 C ATOM 679 OD1 ASP A 45 5.013 32.972 -19.931 1.00 32.23 O ATOM 680 OD2 ASP A 45 3.361 31.932 -18.919 1.00 43.54 O ATOM 0 H ASP A 45 2.761 31.013 -23.530 1.00 73.24 H new ATOM 0 HA ASP A 45 5.066 32.414 -22.493 1.00 22.21 H new ATOM 0 HB2 ASP A 45 2.779 32.845 -21.666 1.00 12.42 H new ATOM 0 HB3 ASP A 45 2.619 31.171 -21.173 1.00 12.42 H new ATOM 685 N ILE A 46 4.828 29.194 -22.272 1.00 72.04 N ATOM 686 CA ILE A 46 5.517 27.978 -21.858 1.00 41.15 C ATOM 687 C ILE A 46 6.901 27.888 -22.492 1.00 4.34 C ATOM 688 O ILE A 46 7.810 27.271 -21.937 1.00 25.44 O ATOM 689 CB ILE A 46 4.712 26.720 -22.232 1.00 34.43 C ATOM 690 CG1 ILE A 46 3.285 26.820 -21.687 1.00 4.01 C ATOM 691 CG2 ILE A 46 5.401 25.472 -21.699 1.00 42.35 C ATOM 692 CD1 ILE A 46 3.210 26.759 -20.177 1.00 54.53 C ATOM 0 H ILE A 46 4.061 29.042 -22.927 1.00 72.04 H new ATOM 0 HA ILE A 46 5.618 28.026 -20.774 1.00 41.15 H new ATOM 0 HB ILE A 46 4.662 26.649 -23.319 1.00 34.43 H new ATOM 0 HG12 ILE A 46 2.839 27.755 -22.028 1.00 4.01 H new ATOM 0 HG13 ILE A 46 2.687 26.010 -22.106 1.00 4.01 H new ATOM 0 HG21 ILE A 46 4.820 24.591 -21.971 1.00 42.35 H new ATOM 0 HG22 ILE A 46 6.399 25.396 -22.130 1.00 42.35 H new ATOM 0 HG23 ILE A 46 5.478 25.534 -20.614 1.00 42.35 H new ATOM 0 HD11 ILE A 46 2.170 26.836 -19.861 1.00 54.53 H new ATOM 0 HD12 ILE A 46 3.626 25.813 -19.830 1.00 54.53 H new ATOM 0 HD13 ILE A 46 3.780 27.584 -19.751 1.00 54.53 H new ATOM 704 N TYR A 47 7.055 28.510 -23.655 1.00 50.03 N ATOM 705 CA TYR A 47 8.329 28.500 -24.365 1.00 13.11 C ATOM 706 C TYR A 47 9.468 28.926 -23.444 1.00 65.34 C ATOM 707 O TYR A 47 10.506 28.267 -23.379 1.00 11.42 O ATOM 708 CB TYR A 47 8.267 29.427 -25.580 1.00 74.01 C ATOM 709 CG TYR A 47 9.555 29.477 -26.370 1.00 0.22 C ATOM 710 CD1 TYR A 47 10.602 30.302 -25.977 1.00 61.50 C ATOM 711 CD2 TYR A 47 9.725 28.699 -27.509 1.00 4.35 C ATOM 712 CE1 TYR A 47 11.781 30.351 -26.696 1.00 54.00 C ATOM 713 CE2 TYR A 47 10.901 28.741 -28.233 1.00 1.31 C ATOM 714 CZ TYR A 47 11.925 29.569 -27.823 1.00 4.00 C ATOM 715 OH TYR A 47 13.098 29.614 -28.541 1.00 43.41 O ATOM 0 H TYR A 47 6.314 29.028 -24.127 1.00 50.03 H new ATOM 0 HA TYR A 47 8.520 27.482 -24.703 1.00 13.11 H new ATOM 0 HB2 TYR A 47 7.461 29.099 -26.236 1.00 74.01 H new ATOM 0 HB3 TYR A 47 8.016 30.434 -25.246 1.00 74.01 H new ATOM 0 HD1 TYR A 47 10.492 30.915 -25.095 1.00 61.50 H new ATOM 0 HD2 TYR A 47 8.924 28.051 -27.834 1.00 4.35 H new ATOM 0 HE1 TYR A 47 12.585 30.998 -26.377 1.00 54.00 H new ATOM 0 HE2 TYR A 47 11.018 28.129 -29.115 1.00 1.31 H new ATOM 0 HH TYR A 47 13.038 29.003 -29.305 1.00 43.41 H new ATOM 725 N GLU A 48 9.266 30.031 -22.735 1.00 11.53 N ATOM 726 CA GLU A 48 10.276 30.546 -21.818 1.00 23.43 C ATOM 727 C GLU A 48 10.394 29.656 -20.583 1.00 51.14 C ATOM 728 O GLU A 48 11.487 29.453 -20.052 1.00 75.12 O ATOM 729 CB GLU A 48 9.935 31.977 -21.398 1.00 32.23 C ATOM 730 CG GLU A 48 9.867 32.953 -22.561 1.00 23.45 C ATOM 731 CD GLU A 48 9.416 34.336 -22.135 1.00 41.43 C ATOM 732 OE1 GLU A 48 8.317 34.450 -21.554 1.00 51.20 O ATOM 733 OE2 GLU A 48 10.163 35.306 -22.384 1.00 62.11 O ATOM 0 H GLU A 48 8.412 30.587 -22.778 1.00 11.53 H new ATOM 0 HA GLU A 48 11.234 30.547 -22.338 1.00 23.43 H new ATOM 0 HB2 GLU A 48 8.976 31.976 -20.879 1.00 32.23 H new ATOM 0 HB3 GLU A 48 10.683 32.325 -20.685 1.00 32.23 H new ATOM 0 HG2 GLU A 48 10.849 33.023 -23.030 1.00 23.45 H new ATOM 0 HG3 GLU A 48 9.181 32.567 -23.315 1.00 23.45 H new ATOM 740 N LEU A 49 9.261 29.129 -20.132 1.00 24.34 N ATOM 741 CA LEU A 49 9.236 28.261 -18.959 1.00 73.13 C ATOM 742 C LEU A 49 10.219 27.106 -19.115 1.00 64.43 C ATOM 743 O LEU A 49 11.147 26.954 -18.320 1.00 5.54 O ATOM 744 CB LEU A 49 7.824 27.717 -18.734 1.00 30.20 C ATOM 745 CG LEU A 49 6.906 28.574 -17.862 1.00 74.20 C ATOM 746 CD1 LEU A 49 5.524 27.947 -17.765 1.00 74.51 C ATOM 747 CD2 LEU A 49 7.507 28.760 -16.477 1.00 10.43 C ATOM 0 H LEU A 49 8.349 29.287 -20.560 1.00 24.34 H new ATOM 0 HA LEU A 49 9.534 28.852 -18.093 1.00 73.13 H new ATOM 0 HB2 LEU A 49 7.348 27.584 -19.706 1.00 30.20 H new ATOM 0 HB3 LEU A 49 7.905 26.729 -18.280 1.00 30.20 H new ATOM 0 HG LEU A 49 6.806 29.554 -18.328 1.00 74.20 H new ATOM 0 HD11 LEU A 49 4.884 28.571 -17.141 1.00 74.51 H new ATOM 0 HD12 LEU A 49 5.090 27.866 -18.762 1.00 74.51 H new ATOM 0 HD13 LEU A 49 5.605 26.954 -17.323 1.00 74.51 H new ATOM 0 HD21 LEU A 49 6.840 29.372 -15.870 1.00 10.43 H new ATOM 0 HD22 LEU A 49 7.638 27.787 -16.003 1.00 10.43 H new ATOM 0 HD23 LEU A 49 8.475 29.254 -16.564 1.00 10.43 H new ATOM 759 N LEU A 50 10.012 26.294 -20.146 1.00 73.02 N ATOM 760 CA LEU A 50 10.882 25.153 -20.409 1.00 33.32 C ATOM 761 C LEU A 50 12.267 25.614 -20.851 1.00 12.25 C ATOM 762 O LEU A 50 13.278 25.017 -20.482 1.00 23.24 O ATOM 763 CB LEU A 50 10.265 24.253 -21.481 1.00 64.31 C ATOM 764 CG LEU A 50 9.715 24.963 -22.718 1.00 72.13 C ATOM 765 CD1 LEU A 50 10.545 24.618 -23.945 1.00 53.32 C ATOM 766 CD2 LEU A 50 8.255 24.595 -22.939 1.00 31.20 C ATOM 0 H LEU A 50 9.249 26.405 -20.814 1.00 73.02 H new ATOM 0 HA LEU A 50 10.987 24.587 -19.484 1.00 33.32 H new ATOM 0 HB2 LEU A 50 11.020 23.536 -21.804 1.00 64.31 H new ATOM 0 HB3 LEU A 50 9.457 23.681 -21.026 1.00 64.31 H new ATOM 0 HG LEU A 50 9.777 26.039 -22.553 1.00 72.13 H new ATOM 0 HD11 LEU A 50 10.138 25.133 -24.816 1.00 53.32 H new ATOM 0 HD12 LEU A 50 11.577 24.932 -23.787 1.00 53.32 H new ATOM 0 HD13 LEU A 50 10.516 23.541 -24.113 1.00 53.32 H new ATOM 0 HD21 LEU A 50 7.880 25.110 -23.824 1.00 31.20 H new ATOM 0 HD22 LEU A 50 8.169 23.518 -23.082 1.00 31.20 H new ATOM 0 HD23 LEU A 50 7.669 24.894 -22.070 1.00 31.20 H new ATOM 778 N TYR A 51 12.305 26.681 -21.640 1.00 50.45 N ATOM 779 CA TYR A 51 13.566 27.223 -22.133 1.00 11.33 C ATOM 780 C TYR A 51 14.546 27.450 -20.986 1.00 22.21 C ATOM 781 O TYR A 51 15.715 27.071 -21.068 1.00 44.15 O ATOM 782 CB TYR A 51 13.324 28.537 -22.879 1.00 22.52 C ATOM 783 CG TYR A 51 14.579 29.353 -23.090 1.00 23.20 C ATOM 784 CD1 TYR A 51 15.761 28.751 -23.505 1.00 41.11 C ATOM 785 CD2 TYR A 51 14.584 30.725 -22.874 1.00 10.24 C ATOM 786 CE1 TYR A 51 16.911 29.493 -23.699 1.00 35.43 C ATOM 787 CE2 TYR A 51 15.728 31.475 -23.066 1.00 62.32 C ATOM 788 CZ TYR A 51 16.889 30.854 -23.478 1.00 51.05 C ATOM 789 OH TYR A 51 18.031 31.597 -23.670 1.00 2.00 O ATOM 0 H TYR A 51 11.477 27.188 -21.952 1.00 50.45 H new ATOM 0 HA TYR A 51 14.000 26.497 -22.821 1.00 11.33 H new ATOM 0 HB2 TYR A 51 12.876 28.318 -23.848 1.00 22.52 H new ATOM 0 HB3 TYR A 51 12.602 29.134 -22.322 1.00 22.52 H new ATOM 0 HD1 TYR A 51 15.781 27.685 -23.679 1.00 41.11 H new ATOM 0 HD2 TYR A 51 13.677 31.214 -22.550 1.00 10.24 H new ATOM 0 HE1 TYR A 51 17.821 29.010 -24.022 1.00 35.43 H new ATOM 0 HE2 TYR A 51 15.714 32.541 -22.895 1.00 62.32 H new ATOM 0 HH TYR A 51 17.846 32.539 -23.472 1.00 2.00 H new ATOM 799 N LEU A 52 14.061 28.070 -19.916 1.00 22.33 N ATOM 800 CA LEU A 52 14.893 28.347 -18.750 1.00 11.32 C ATOM 801 C LEU A 52 15.050 27.101 -17.884 1.00 13.42 C ATOM 802 O LEU A 52 16.046 26.945 -17.177 1.00 2.02 O ATOM 803 CB LEU A 52 14.286 29.483 -17.924 1.00 73.13 C ATOM 804 CG LEU A 52 14.713 30.899 -18.314 1.00 31.52 C ATOM 805 CD1 LEU A 52 14.230 31.235 -19.716 1.00 64.23 C ATOM 806 CD2 LEU A 52 14.184 31.911 -17.309 1.00 35.04 C ATOM 0 H LEU A 52 13.096 28.390 -19.831 1.00 22.33 H new ATOM 0 HA LEU A 52 15.880 28.649 -19.102 1.00 11.32 H new ATOM 0 HB2 LEU A 52 13.200 29.419 -17.998 1.00 73.13 H new ATOM 0 HB3 LEU A 52 14.544 29.322 -16.877 1.00 73.13 H new ATOM 0 HG LEU A 52 15.802 30.945 -18.307 1.00 31.52 H new ATOM 0 HD11 LEU A 52 14.543 32.246 -19.976 1.00 64.23 H new ATOM 0 HD12 LEU A 52 14.658 30.528 -20.427 1.00 64.23 H new ATOM 0 HD13 LEU A 52 13.142 31.172 -19.751 1.00 64.23 H new ATOM 0 HD21 LEU A 52 14.497 32.913 -17.602 1.00 35.04 H new ATOM 0 HD22 LEU A 52 13.095 31.864 -17.284 1.00 35.04 H new ATOM 0 HD23 LEU A 52 14.580 31.682 -16.320 1.00 35.04 H new ATOM 818 N LEU A 53 14.061 26.216 -17.945 1.00 51.51 N ATOM 819 CA LEU A 53 14.090 24.982 -17.168 1.00 54.12 C ATOM 820 C LEU A 53 15.245 24.089 -17.608 1.00 21.32 C ATOM 821 O LEU A 53 15.989 23.567 -16.778 1.00 1.52 O ATOM 822 CB LEU A 53 12.765 24.232 -17.317 1.00 32.13 C ATOM 823 CG LEU A 53 12.214 23.584 -16.046 1.00 1.33 C ATOM 824 CD1 LEU A 53 12.009 24.629 -14.960 1.00 3.21 C ATOM 825 CD2 LEU A 53 10.911 22.856 -16.340 1.00 32.20 C ATOM 0 H LEU A 53 13.229 26.330 -18.524 1.00 51.51 H new ATOM 0 HA LEU A 53 14.237 25.244 -16.120 1.00 54.12 H new ATOM 0 HB2 LEU A 53 12.018 24.927 -17.700 1.00 32.13 H new ATOM 0 HB3 LEU A 53 12.893 23.455 -18.071 1.00 32.13 H new ATOM 0 HG LEU A 53 12.941 22.855 -15.688 1.00 1.33 H new ATOM 0 HD11 LEU A 53 11.617 24.150 -14.063 1.00 3.21 H new ATOM 0 HD12 LEU A 53 12.962 25.106 -14.729 1.00 3.21 H new ATOM 0 HD13 LEU A 53 11.302 25.382 -15.308 1.00 3.21 H new ATOM 0 HD21 LEU A 53 10.534 22.401 -15.424 1.00 32.20 H new ATOM 0 HD22 LEU A 53 10.177 23.565 -16.722 1.00 32.20 H new ATOM 0 HD23 LEU A 53 11.088 22.080 -17.084 1.00 32.20 H new ATOM 837 N GLU A 54 15.390 23.919 -18.918 1.00 74.44 N ATOM 838 CA GLU A 54 16.456 23.089 -19.467 1.00 51.34 C ATOM 839 C GLU A 54 17.824 23.705 -19.186 1.00 55.15 C ATOM 840 O GLU A 54 18.819 22.995 -19.053 1.00 22.34 O ATOM 841 CB GLU A 54 16.266 22.908 -20.975 1.00 21.42 C ATOM 842 CG GLU A 54 16.861 24.034 -21.803 1.00 64.53 C ATOM 843 CD GLU A 54 16.346 24.044 -23.230 1.00 25.45 C ATOM 844 OE1 GLU A 54 15.215 24.526 -23.448 1.00 3.02 O ATOM 845 OE2 GLU A 54 17.074 23.569 -24.127 1.00 13.31 O ATOM 0 H GLU A 54 14.783 24.345 -19.619 1.00 74.44 H new ATOM 0 HA GLU A 54 16.409 22.114 -18.982 1.00 51.34 H new ATOM 0 HB2 GLU A 54 16.721 21.965 -21.279 1.00 21.42 H new ATOM 0 HB3 GLU A 54 15.200 22.833 -21.192 1.00 21.42 H new ATOM 0 HG2 GLU A 54 16.630 24.989 -21.331 1.00 64.53 H new ATOM 0 HG3 GLU A 54 17.947 23.938 -21.813 1.00 64.53 H new ATOM 852 N GLU A 55 17.862 25.031 -19.099 1.00 44.14 N ATOM 853 CA GLU A 55 19.108 25.742 -18.836 1.00 53.40 C ATOM 854 C GLU A 55 19.598 25.473 -17.416 1.00 43.23 C ATOM 855 O GLU A 55 20.786 25.243 -17.192 1.00 61.30 O ATOM 856 CB GLU A 55 18.916 27.246 -19.045 1.00 0.15 C ATOM 857 CG GLU A 55 20.193 28.052 -18.876 1.00 63.35 C ATOM 858 CD GLU A 55 20.140 29.386 -19.594 1.00 41.24 C ATOM 859 OE1 GLU A 55 19.317 30.239 -19.200 1.00 60.21 O ATOM 860 OE2 GLU A 55 20.921 29.578 -20.550 1.00 15.10 O ATOM 0 H GLU A 55 17.046 25.634 -19.207 1.00 44.14 H new ATOM 0 HA GLU A 55 19.860 25.378 -19.536 1.00 53.40 H new ATOM 0 HB2 GLU A 55 18.518 27.417 -20.045 1.00 0.15 H new ATOM 0 HB3 GLU A 55 18.170 27.610 -18.338 1.00 0.15 H new ATOM 0 HG2 GLU A 55 20.373 28.222 -17.815 1.00 63.35 H new ATOM 0 HG3 GLU A 55 21.036 27.474 -19.254 1.00 63.35 H new ATOM 867 N ALA A 56 18.675 25.505 -16.461 1.00 54.14 N ATOM 868 CA ALA A 56 19.012 25.263 -15.064 1.00 53.31 C ATOM 869 C ALA A 56 19.639 23.885 -14.881 1.00 54.40 C ATOM 870 O ALA A 56 20.329 23.632 -13.893 1.00 54.42 O ATOM 871 CB ALA A 56 17.773 25.402 -14.191 1.00 5.22 C ATOM 0 H ALA A 56 17.687 25.696 -16.629 1.00 54.14 H new ATOM 0 HA ALA A 56 19.745 26.010 -14.758 1.00 53.31 H new ATOM 0 HB1 ALA A 56 18.039 25.219 -13.150 1.00 5.22 H new ATOM 0 HB2 ALA A 56 17.369 26.410 -14.290 1.00 5.22 H new ATOM 0 HB3 ALA A 56 17.022 24.677 -14.507 1.00 5.22 H new ATOM 877 N PHE A 57 19.394 22.997 -15.839 1.00 11.23 N ATOM 878 CA PHE A 57 19.933 21.644 -15.782 1.00 24.50 C ATOM 879 C PHE A 57 21.007 21.441 -16.847 1.00 70.11 C ATOM 880 O PHE A 57 21.693 20.419 -16.866 1.00 21.23 O ATOM 881 CB PHE A 57 18.814 20.617 -15.968 1.00 51.34 C ATOM 882 CG PHE A 57 17.553 20.964 -15.229 1.00 4.22 C ATOM 883 CD1 PHE A 57 17.604 21.403 -13.916 1.00 13.15 C ATOM 884 CD2 PHE A 57 16.319 20.852 -15.847 1.00 35.11 C ATOM 885 CE1 PHE A 57 16.445 21.722 -13.233 1.00 3.15 C ATOM 886 CE2 PHE A 57 15.157 21.170 -15.169 1.00 73.11 C ATOM 887 CZ PHE A 57 15.220 21.607 -13.860 1.00 64.44 C ATOM 0 H PHE A 57 18.826 23.190 -16.664 1.00 11.23 H new ATOM 0 HA PHE A 57 20.387 21.502 -14.801 1.00 24.50 H new ATOM 0 HB2 PHE A 57 18.589 20.525 -17.031 1.00 51.34 H new ATOM 0 HB3 PHE A 57 19.167 19.642 -15.631 1.00 51.34 H new ATOM 0 HD1 PHE A 57 18.559 21.497 -13.421 1.00 13.15 H new ATOM 0 HD2 PHE A 57 16.264 20.512 -16.871 1.00 35.11 H new ATOM 0 HE1 PHE A 57 16.498 22.061 -12.209 1.00 3.15 H new ATOM 0 HE2 PHE A 57 14.201 21.077 -15.662 1.00 73.11 H new ATOM 0 HZ PHE A 57 14.314 21.858 -13.329 1.00 64.44 H new ATOM 897 N ASP A 58 21.146 22.421 -17.733 1.00 13.45 N ATOM 898 CA ASP A 58 22.136 22.352 -18.801 1.00 54.22 C ATOM 899 C ASP A 58 21.842 21.185 -19.739 1.00 2.30 C ATOM 900 O ASP A 58 22.506 20.150 -19.684 1.00 33.33 O ATOM 901 CB ASP A 58 23.541 22.211 -18.215 1.00 62.21 C ATOM 902 CG ASP A 58 23.771 23.132 -17.033 1.00 41.23 C ATOM 903 OD1 ASP A 58 23.309 22.798 -15.922 1.00 5.53 O ATOM 904 OD2 ASP A 58 24.413 24.187 -17.220 1.00 24.52 O ATOM 0 H ASP A 58 20.585 23.273 -17.733 1.00 13.45 H new ATOM 0 HA ASP A 58 22.082 23.278 -19.374 1.00 54.22 H new ATOM 0 HB2 ASP A 58 23.700 21.179 -17.903 1.00 62.21 H new ATOM 0 HB3 ASP A 58 24.278 22.427 -18.989 1.00 62.21 H new ATOM 909 N ASP A 59 20.844 21.360 -20.598 1.00 21.11 N ATOM 910 CA ASP A 59 20.462 20.321 -21.548 1.00 44.50 C ATOM 911 C ASP A 59 19.567 20.890 -22.644 1.00 51.42 C ATOM 912 O ASP A 59 18.722 21.749 -22.388 1.00 22.30 O ATOM 913 CB ASP A 59 19.744 19.180 -20.827 1.00 23.30 C ATOM 914 CG ASP A 59 20.676 18.034 -20.485 1.00 24.00 C ATOM 915 OD1 ASP A 59 21.182 17.380 -21.421 1.00 74.35 O ATOM 916 OD2 ASP A 59 20.902 17.792 -19.281 1.00 15.01 O ATOM 0 H ASP A 59 20.285 22.211 -20.656 1.00 21.11 H new ATOM 0 HA ASP A 59 21.370 19.934 -22.010 1.00 44.50 H new ATOM 0 HB2 ASP A 59 19.290 19.561 -19.912 1.00 23.30 H new ATOM 0 HB3 ASP A 59 18.933 18.810 -21.455 1.00 23.30 H new ATOM 921 N LYS A 60 19.758 20.407 -23.867 1.00 52.31 N ATOM 922 CA LYS A 60 18.968 20.866 -25.004 1.00 2.54 C ATOM 923 C LYS A 60 17.580 20.235 -24.992 1.00 70.54 C ATOM 924 O LYS A 60 17.444 19.015 -24.889 1.00 50.03 O ATOM 925 CB LYS A 60 19.682 20.532 -26.315 1.00 71.13 C ATOM 926 CG LYS A 60 20.909 21.389 -26.576 1.00 33.40 C ATOM 927 CD LYS A 60 22.155 20.781 -25.955 1.00 3.34 C ATOM 928 CE LYS A 60 23.421 21.409 -26.518 1.00 22.31 C ATOM 929 NZ LYS A 60 24.619 20.560 -26.268 1.00 42.14 N ATOM 0 H LYS A 60 20.454 19.697 -24.097 1.00 52.31 H new ATOM 0 HA LYS A 60 18.856 21.947 -24.924 1.00 2.54 H new ATOM 0 HB2 LYS A 60 19.978 19.483 -26.300 1.00 71.13 H new ATOM 0 HB3 LYS A 60 18.982 20.654 -27.141 1.00 71.13 H new ATOM 0 HG2 LYS A 60 21.054 21.501 -27.650 1.00 33.40 H new ATOM 0 HG3 LYS A 60 20.749 22.388 -26.170 1.00 33.40 H new ATOM 0 HD2 LYS A 60 22.129 20.919 -24.874 1.00 3.34 H new ATOM 0 HD3 LYS A 60 22.167 19.707 -26.139 1.00 3.34 H new ATOM 0 HE2 LYS A 60 23.303 21.565 -27.590 1.00 22.31 H new ATOM 0 HE3 LYS A 60 23.571 22.390 -26.068 1.00 22.31 H new ATOM 0 HZ1 LYS A 60 25.461 21.022 -26.667 1.00 42.14 H new ATOM 0 HZ2 LYS A 60 24.746 20.432 -25.244 1.00 42.14 H new ATOM 0 HZ3 LYS A 60 24.487 19.632 -26.719 1.00 42.14 H new ATOM 943 N ILE A 61 16.553 21.071 -25.101 1.00 22.15 N ATOM 944 CA ILE A 61 15.176 20.593 -25.105 1.00 63.24 C ATOM 945 C ILE A 61 14.830 19.927 -26.433 1.00 2.21 C ATOM 946 O ILE A 61 14.460 18.754 -26.490 1.00 4.21 O ATOM 947 CB ILE A 61 14.181 21.739 -24.844 1.00 4.01 C ATOM 948 CG1 ILE A 61 13.964 21.922 -23.340 1.00 71.35 C ATOM 949 CG2 ILE A 61 12.860 21.464 -25.546 1.00 42.13 C ATOM 950 CD1 ILE A 61 12.958 20.957 -22.754 1.00 34.41 C ATOM 0 H ILE A 61 16.649 22.083 -25.188 1.00 22.15 H new ATOM 0 HA ILE A 61 15.093 19.861 -24.301 1.00 63.24 H new ATOM 0 HB ILE A 61 14.598 22.662 -25.247 1.00 4.01 H new ATOM 0 HG12 ILE A 61 14.917 21.798 -22.826 1.00 71.35 H new ATOM 0 HG13 ILE A 61 13.630 22.942 -23.151 1.00 71.35 H new ATOM 0 HG21 ILE A 61 12.167 22.283 -25.352 1.00 42.13 H new ATOM 0 HG22 ILE A 61 13.029 21.379 -26.619 1.00 42.13 H new ATOM 0 HG23 ILE A 61 12.435 20.533 -25.170 1.00 42.13 H new ATOM 0 HD11 ILE A 61 12.854 21.144 -21.685 1.00 34.41 H new ATOM 0 HD12 ILE A 61 11.993 21.096 -23.242 1.00 34.41 H new ATOM 0 HD13 ILE A 61 13.300 19.934 -22.912 1.00 34.41 H new ATOM 962 N PRO A 62 14.954 20.692 -27.528 1.00 70.41 N ATOM 963 CA PRO A 62 14.661 20.196 -28.876 1.00 44.34 C ATOM 964 C PRO A 62 15.688 19.175 -29.354 1.00 74.50 C ATOM 965 O PRO A 62 15.548 18.599 -30.433 1.00 12.42 O ATOM 966 CB PRO A 62 14.723 21.459 -29.739 1.00 54.13 C ATOM 967 CG PRO A 62 15.620 22.385 -28.993 1.00 34.04 C ATOM 968 CD PRO A 62 15.390 22.098 -27.535 1.00 13.25 C ATOM 0 HA PRO A 62 13.703 19.678 -28.920 1.00 44.34 H new ATOM 0 HB2 PRO A 62 15.117 21.241 -30.732 1.00 54.13 H new ATOM 0 HB3 PRO A 62 13.733 21.893 -29.877 1.00 54.13 H new ATOM 0 HG2 PRO A 62 16.663 22.220 -29.263 1.00 34.04 H new ATOM 0 HG3 PRO A 62 15.390 23.424 -29.227 1.00 34.04 H new ATOM 0 HD2 PRO A 62 16.298 22.240 -26.950 1.00 13.25 H new ATOM 0 HD3 PRO A 62 14.631 22.756 -27.111 1.00 13.25 H new ATOM 976 N GLU A 63 16.718 18.954 -28.543 1.00 71.14 N ATOM 977 CA GLU A 63 17.767 18.001 -28.885 1.00 45.01 C ATOM 978 C GLU A 63 17.729 16.792 -27.954 1.00 42.43 C ATOM 979 O GLU A 63 17.450 15.674 -28.384 1.00 24.24 O ATOM 980 CB GLU A 63 19.140 18.672 -28.811 1.00 4.41 C ATOM 981 CG GLU A 63 20.078 18.268 -29.936 1.00 74.53 C ATOM 982 CD GLU A 63 20.099 16.769 -30.167 1.00 71.00 C ATOM 983 OE1 GLU A 63 20.688 16.049 -29.333 1.00 40.43 O ATOM 984 OE2 GLU A 63 19.527 16.316 -31.181 1.00 24.15 O ATOM 0 H GLU A 63 16.848 19.421 -27.646 1.00 71.14 H new ATOM 0 HA GLU A 63 17.592 17.658 -29.905 1.00 45.01 H new ATOM 0 HB2 GLU A 63 19.008 19.754 -28.831 1.00 4.41 H new ATOM 0 HB3 GLU A 63 19.604 18.425 -27.856 1.00 4.41 H new ATOM 0 HG2 GLU A 63 19.775 18.769 -30.855 1.00 74.53 H new ATOM 0 HG3 GLU A 63 21.086 18.610 -29.704 1.00 74.53 H new ATOM 991 N ASN A 64 18.012 17.027 -26.677 1.00 41.51 N ATOM 992 CA ASN A 64 18.011 15.959 -25.685 1.00 24.41 C ATOM 993 C ASN A 64 16.586 15.535 -25.342 1.00 42.33 C ATOM 994 O ASN A 64 16.194 14.393 -25.578 1.00 64.01 O ATOM 995 CB ASN A 64 18.740 16.410 -24.417 1.00 53.45 C ATOM 996 CG ASN A 64 19.275 15.243 -23.611 1.00 12.12 C ATOM 997 OD1 ASN A 64 20.262 14.613 -23.990 1.00 72.52 O ATOM 998 ND2 ASN A 64 18.624 14.950 -22.491 1.00 74.23 N ATOM 0 H ASN A 64 18.245 17.948 -26.305 1.00 41.51 H new ATOM 0 HA ASN A 64 18.533 15.102 -26.111 1.00 24.41 H new ATOM 0 HB2 ASN A 64 19.565 17.068 -24.690 1.00 53.45 H new ATOM 0 HB3 ASN A 64 18.059 16.994 -23.798 1.00 53.45 H new ATOM 0 HD21 ASN A 64 18.938 14.175 -21.906 1.00 74.23 H new ATOM 0 HD22 ASN A 64 17.810 15.500 -22.215 1.00 74.23 H new ATOM 1005 N GLU A 65 15.816 16.465 -24.785 1.00 62.13 N ATOM 1006 CA GLU A 65 14.435 16.187 -24.410 1.00 54.44 C ATOM 1007 C GLU A 65 13.617 15.756 -25.625 1.00 4.21 C ATOM 1008 O GLU A 65 12.586 15.098 -25.490 1.00 64.05 O ATOM 1009 CB GLU A 65 13.800 17.422 -23.767 1.00 34.22 C ATOM 1010 CG GLU A 65 14.423 17.803 -22.435 1.00 24.43 C ATOM 1011 CD GLU A 65 13.387 18.098 -21.368 1.00 53.23 C ATOM 1012 OE1 GLU A 65 12.384 17.358 -21.293 1.00 63.51 O ATOM 1013 OE2 GLU A 65 13.579 19.071 -20.609 1.00 34.23 O ATOM 0 H GLU A 65 16.125 17.416 -24.584 1.00 62.13 H new ATOM 0 HA GLU A 65 14.439 15.371 -23.688 1.00 54.44 H new ATOM 0 HB2 GLU A 65 13.887 18.264 -24.453 1.00 34.22 H new ATOM 0 HB3 GLU A 65 12.735 17.239 -23.621 1.00 34.22 H new ATOM 0 HG2 GLU A 65 15.068 16.993 -22.095 1.00 24.43 H new ATOM 0 HG3 GLU A 65 15.057 18.679 -22.572 1.00 24.43 H new ATOM 1020 N ALA A 66 14.086 16.133 -26.810 1.00 50.10 N ATOM 1021 CA ALA A 66 13.401 15.785 -28.048 1.00 75.24 C ATOM 1022 C ALA A 66 13.444 14.281 -28.296 1.00 32.35 C ATOM 1023 O ALA A 66 12.737 13.764 -29.160 1.00 23.22 O ATOM 1024 CB ALA A 66 14.017 16.532 -29.221 1.00 44.33 C ATOM 0 H ALA A 66 14.938 16.679 -26.938 1.00 50.10 H new ATOM 0 HA ALA A 66 12.357 16.081 -27.951 1.00 75.24 H new ATOM 0 HB1 ALA A 66 13.495 16.262 -30.139 1.00 44.33 H new ATOM 0 HB2 ALA A 66 13.928 17.606 -29.056 1.00 44.33 H new ATOM 0 HB3 ALA A 66 15.070 16.264 -29.310 1.00 44.33 H new ATOM 1030 N ASN A 67 14.278 13.584 -27.531 1.00 64.11 N ATOM 1031 CA ASN A 67 14.415 12.138 -27.669 1.00 15.34 C ATOM 1032 C ASN A 67 13.081 11.440 -27.420 1.00 10.24 C ATOM 1033 O ASN A 67 12.841 10.343 -27.922 1.00 53.24 O ATOM 1034 CB ASN A 67 15.469 11.610 -26.695 1.00 24.43 C ATOM 1035 CG ASN A 67 14.912 11.390 -25.302 1.00 33.33 C ATOM 1036 OD1 ASN A 67 14.959 10.280 -24.770 1.00 51.40 O ATOM 1037 ND2 ASN A 67 14.379 12.449 -24.704 1.00 4.23 N ATOM 0 H ASN A 67 14.869 13.997 -26.809 1.00 64.11 H new ATOM 0 HA ASN A 67 14.733 11.923 -28.689 1.00 15.34 H new ATOM 0 HB2 ASN A 67 15.872 10.671 -27.074 1.00 24.43 H new ATOM 0 HB3 ASN A 67 16.298 12.315 -26.644 1.00 24.43 H new ATOM 0 HD21 ASN A 67 13.987 12.362 -23.766 1.00 4.23 H new ATOM 0 HD22 ASN A 67 14.361 13.350 -25.182 1.00 4.23 H new ATOM 1044 N GLU A 68 12.218 12.085 -26.641 1.00 10.13 N ATOM 1045 CA GLU A 68 10.909 11.525 -26.325 1.00 51.52 C ATOM 1046 C GLU A 68 9.944 12.619 -25.876 1.00 73.21 C ATOM 1047 O GLU A 68 9.207 12.451 -24.904 1.00 73.12 O ATOM 1048 CB GLU A 68 11.034 10.461 -25.234 1.00 24.35 C ATOM 1049 CG GLU A 68 10.104 9.276 -25.429 1.00 70.54 C ATOM 1050 CD GLU A 68 10.641 8.271 -26.430 1.00 43.13 C ATOM 1051 OE1 GLU A 68 11.879 8.122 -26.515 1.00 14.44 O ATOM 1052 OE2 GLU A 68 9.826 7.634 -27.129 1.00 54.40 O ATOM 0 H GLU A 68 12.401 12.995 -26.218 1.00 10.13 H new ATOM 0 HA GLU A 68 10.512 11.062 -27.229 1.00 51.52 H new ATOM 0 HB2 GLU A 68 12.063 10.103 -25.204 1.00 24.35 H new ATOM 0 HB3 GLU A 68 10.827 10.919 -24.267 1.00 24.35 H new ATOM 0 HG2 GLU A 68 9.947 8.781 -24.471 1.00 70.54 H new ATOM 0 HG3 GLU A 68 9.131 9.634 -25.766 1.00 70.54 H new ATOM 1059 N PHE A 69 9.954 13.739 -26.590 1.00 44.34 N ATOM 1060 CA PHE A 69 9.082 14.862 -26.265 1.00 72.54 C ATOM 1061 C PHE A 69 7.846 14.867 -27.160 1.00 60.45 C ATOM 1062 O PHE A 69 7.893 14.413 -28.303 1.00 65.23 O ATOM 1063 CB PHE A 69 9.838 16.183 -26.414 1.00 4.10 C ATOM 1064 CG PHE A 69 9.811 17.032 -25.175 1.00 53.34 C ATOM 1065 CD1 PHE A 69 9.969 16.460 -23.923 1.00 41.25 C ATOM 1066 CD2 PHE A 69 9.626 18.403 -25.263 1.00 74.31 C ATOM 1067 CE1 PHE A 69 9.945 17.239 -22.782 1.00 35.23 C ATOM 1068 CE2 PHE A 69 9.601 19.186 -24.125 1.00 15.31 C ATOM 1069 CZ PHE A 69 9.759 18.604 -22.883 1.00 31.43 C ATOM 0 H PHE A 69 10.557 13.894 -27.398 1.00 44.34 H new ATOM 0 HA PHE A 69 8.760 14.751 -25.230 1.00 72.54 H new ATOM 0 HB2 PHE A 69 10.874 15.972 -26.677 1.00 4.10 H new ATOM 0 HB3 PHE A 69 9.408 16.748 -27.241 1.00 4.10 H new ATOM 0 HD1 PHE A 69 10.113 15.393 -23.838 1.00 41.25 H new ATOM 0 HD2 PHE A 69 9.500 18.864 -26.232 1.00 74.31 H new ATOM 0 HE1 PHE A 69 10.072 16.781 -21.812 1.00 35.23 H new ATOM 0 HE2 PHE A 69 9.458 20.253 -24.207 1.00 15.31 H new ATOM 0 HZ PHE A 69 9.737 19.215 -21.992 1.00 31.43 H new ATOM 1079 N GLU A 70 6.741 15.383 -26.631 1.00 62.31 N ATOM 1080 CA GLU A 70 5.493 15.445 -27.382 1.00 15.45 C ATOM 1081 C GLU A 70 4.521 16.431 -26.739 1.00 53.12 C ATOM 1082 O GLU A 70 4.065 17.379 -27.380 1.00 4.43 O ATOM 1083 CB GLU A 70 4.850 14.059 -27.463 1.00 24.11 C ATOM 1084 CG GLU A 70 3.574 14.027 -28.286 1.00 34.10 C ATOM 1085 CD GLU A 70 3.753 14.631 -29.665 1.00 42.11 C ATOM 1086 OE1 GLU A 70 4.667 14.188 -30.392 1.00 72.40 O ATOM 1087 OE2 GLU A 70 2.981 15.547 -30.017 1.00 60.03 O ATOM 0 H GLU A 70 6.685 15.764 -25.686 1.00 62.31 H new ATOM 0 HA GLU A 70 5.722 15.790 -28.390 1.00 15.45 H new ATOM 0 HB2 GLU A 70 5.567 13.360 -27.893 1.00 24.11 H new ATOM 0 HB3 GLU A 70 4.630 13.710 -26.454 1.00 24.11 H new ATOM 0 HG2 GLU A 70 3.237 12.995 -28.386 1.00 34.10 H new ATOM 0 HG3 GLU A 70 2.790 14.568 -27.756 1.00 34.10 H new ATOM 1094 N THR A 71 4.206 16.200 -25.468 1.00 70.04 N ATOM 1095 CA THR A 71 3.287 17.065 -24.739 1.00 24.01 C ATOM 1096 C THR A 71 3.678 17.166 -23.269 1.00 10.41 C ATOM 1097 O THR A 71 4.685 16.601 -22.843 1.00 61.32 O ATOM 1098 CB THR A 71 1.837 16.556 -24.839 1.00 61.11 C ATOM 1099 OG1 THR A 71 1.767 15.190 -24.414 1.00 13.41 O ATOM 1100 CG2 THR A 71 1.319 16.676 -26.264 1.00 73.13 C ATOM 0 H THR A 71 4.574 15.421 -24.922 1.00 70.04 H new ATOM 0 HA THR A 71 3.350 18.052 -25.198 1.00 24.01 H new ATOM 0 HB THR A 71 1.214 17.171 -24.190 1.00 61.11 H new ATOM 0 HG1 THR A 71 1.294 15.138 -23.557 1.00 13.41 H new ATOM 0 HG21 THR A 71 0.293 16.311 -26.310 1.00 73.13 H new ATOM 0 HG22 THR A 71 1.346 17.721 -26.574 1.00 73.13 H new ATOM 0 HG23 THR A 71 1.946 16.083 -26.930 1.00 73.13 H new ATOM 1108 N VAL A 72 2.874 17.890 -22.496 1.00 42.44 N ATOM 1109 CA VAL A 72 3.135 18.064 -21.073 1.00 1.45 C ATOM 1110 C VAL A 72 3.380 16.723 -20.391 1.00 35.13 C ATOM 1111 O VAL A 72 4.267 16.595 -19.548 1.00 51.43 O ATOM 1112 CB VAL A 72 1.965 18.779 -20.371 1.00 31.23 C ATOM 1113 CG1 VAL A 72 2.316 19.082 -18.922 1.00 34.31 C ATOM 1114 CG2 VAL A 72 1.595 20.052 -21.116 1.00 11.42 C ATOM 0 H VAL A 72 2.036 18.365 -22.832 1.00 42.44 H new ATOM 0 HA VAL A 72 4.030 18.680 -20.988 1.00 1.45 H new ATOM 0 HB VAL A 72 1.100 18.116 -20.379 1.00 31.23 H new ATOM 0 HG11 VAL A 72 1.478 19.587 -18.442 1.00 34.31 H new ATOM 0 HG12 VAL A 72 2.527 18.151 -18.396 1.00 34.31 H new ATOM 0 HG13 VAL A 72 3.195 19.726 -18.887 1.00 34.31 H new ATOM 0 HG21 VAL A 72 0.767 20.544 -20.606 1.00 11.42 H new ATOM 0 HG22 VAL A 72 2.455 20.722 -21.142 1.00 11.42 H new ATOM 0 HG23 VAL A 72 1.298 19.804 -22.135 1.00 11.42 H new ATOM 1124 N GLY A 73 2.585 15.723 -20.762 1.00 3.03 N ATOM 1125 CA GLY A 73 2.732 14.403 -20.176 1.00 54.24 C ATOM 1126 C GLY A 73 4.166 13.913 -20.202 1.00 12.45 C ATOM 1127 O GLY A 73 4.610 13.226 -19.282 1.00 5.21 O ATOM 0 H GLY A 73 1.843 15.803 -21.457 1.00 3.03 H new ATOM 0 HA2 GLY A 73 2.378 14.425 -19.145 1.00 54.24 H new ATOM 0 HA3 GLY A 73 2.100 13.697 -20.715 1.00 54.24 H new ATOM 1131 N ASP A 74 4.891 14.266 -21.257 1.00 61.12 N ATOM 1132 CA ASP A 74 6.284 13.857 -21.399 1.00 53.10 C ATOM 1133 C ASP A 74 7.164 14.561 -20.371 1.00 41.34 C ATOM 1134 O ASP A 74 8.001 13.934 -19.721 1.00 53.42 O ATOM 1135 CB ASP A 74 6.785 14.160 -22.812 1.00 2.32 C ATOM 1136 CG ASP A 74 6.090 13.321 -23.865 1.00 61.45 C ATOM 1137 OD1 ASP A 74 4.943 12.892 -23.621 1.00 1.44 O ATOM 1138 OD2 ASP A 74 6.693 13.091 -24.935 1.00 25.03 O ATOM 0 H ASP A 74 4.538 14.834 -22.027 1.00 61.12 H new ATOM 0 HA ASP A 74 6.342 12.783 -21.225 1.00 53.10 H new ATOM 0 HB2 ASP A 74 6.628 15.216 -23.031 1.00 2.32 H new ATOM 0 HB3 ASP A 74 7.859 13.981 -22.860 1.00 2.32 H new ATOM 1143 N VAL A 75 6.971 15.869 -20.231 1.00 34.14 N ATOM 1144 CA VAL A 75 7.747 16.659 -19.282 1.00 73.13 C ATOM 1145 C VAL A 75 7.518 16.181 -17.853 1.00 2.34 C ATOM 1146 O VAL A 75 8.468 15.944 -17.107 1.00 23.44 O ATOM 1147 CB VAL A 75 7.392 18.155 -19.375 1.00 72.21 C ATOM 1148 CG1 VAL A 75 8.387 18.990 -18.584 1.00 60.00 C ATOM 1149 CG2 VAL A 75 7.345 18.602 -20.828 1.00 73.44 C ATOM 0 H VAL A 75 6.284 16.404 -20.763 1.00 34.14 H new ATOM 0 HA VAL A 75 8.797 16.526 -19.543 1.00 73.13 H new ATOM 0 HB VAL A 75 6.403 18.304 -18.941 1.00 72.21 H new ATOM 0 HG11 VAL A 75 8.120 20.044 -18.661 1.00 60.00 H new ATOM 0 HG12 VAL A 75 8.366 18.686 -17.537 1.00 60.00 H new ATOM 0 HG13 VAL A 75 9.389 18.839 -18.986 1.00 60.00 H new ATOM 0 HG21 VAL A 75 7.093 19.661 -20.875 1.00 73.44 H new ATOM 0 HG22 VAL A 75 8.319 18.440 -21.290 1.00 73.44 H new ATOM 0 HG23 VAL A 75 6.590 18.025 -21.362 1.00 73.44 H new ATOM 1159 N VAL A 76 6.251 16.042 -17.476 1.00 51.33 N ATOM 1160 CA VAL A 76 5.897 15.591 -16.136 1.00 15.21 C ATOM 1161 C VAL A 76 6.644 14.314 -15.770 1.00 62.23 C ATOM 1162 O VAL A 76 7.242 14.217 -14.699 1.00 51.55 O ATOM 1163 CB VAL A 76 4.382 15.340 -16.010 1.00 40.33 C ATOM 1164 CG1 VAL A 76 4.039 14.831 -14.619 1.00 14.13 C ATOM 1165 CG2 VAL A 76 3.604 16.608 -16.330 1.00 62.12 C ATOM 0 H VAL A 76 5.452 16.235 -18.080 1.00 51.33 H new ATOM 0 HA VAL A 76 6.185 16.386 -15.449 1.00 15.21 H new ATOM 0 HB VAL A 76 4.097 14.574 -16.731 1.00 40.33 H new ATOM 0 HG11 VAL A 76 2.965 14.659 -14.549 1.00 14.13 H new ATOM 0 HG12 VAL A 76 4.569 13.897 -14.433 1.00 14.13 H new ATOM 0 HG13 VAL A 76 4.337 15.571 -13.877 1.00 14.13 H new ATOM 0 HG21 VAL A 76 2.536 16.413 -16.236 1.00 62.12 H new ATOM 0 HG22 VAL A 76 3.891 17.396 -15.634 1.00 62.12 H new ATOM 0 HG23 VAL A 76 3.827 16.924 -17.349 1.00 62.12 H new ATOM 1175 N ASN A 77 6.606 13.335 -16.669 1.00 23.15 N ATOM 1176 CA ASN A 77 7.281 12.062 -16.441 1.00 34.04 C ATOM 1177 C ASN A 77 8.790 12.207 -16.613 1.00 14.31 C ATOM 1178 O ASN A 77 9.565 11.404 -16.093 1.00 12.40 O ATOM 1179 CB ASN A 77 6.746 10.999 -17.402 1.00 63.41 C ATOM 1180 CG ASN A 77 7.858 10.224 -18.083 1.00 71.11 C ATOM 1181 OD1 ASN A 77 8.519 9.390 -17.463 1.00 55.24 O ATOM 1182 ND2 ASN A 77 8.070 10.497 -19.365 1.00 74.14 N ATOM 0 H ASN A 77 6.116 13.399 -17.561 1.00 23.15 H new ATOM 0 HA ASN A 77 7.079 11.751 -15.416 1.00 34.04 H new ATOM 0 HB2 ASN A 77 6.107 10.307 -16.854 1.00 63.41 H new ATOM 0 HB3 ASN A 77 6.124 11.477 -18.159 1.00 63.41 H new ATOM 0 HD21 ASN A 77 8.805 10.008 -19.876 1.00 74.14 H new ATOM 0 HD22 ASN A 77 7.498 11.196 -19.839 1.00 74.14 H new ATOM 1189 N PHE A 78 9.199 13.237 -17.346 1.00 4.22 N ATOM 1190 CA PHE A 78 10.615 13.488 -17.587 1.00 45.23 C ATOM 1191 C PHE A 78 11.288 14.054 -16.340 1.00 21.21 C ATOM 1192 O PHE A 78 12.212 13.451 -15.793 1.00 21.01 O ATOM 1193 CB PHE A 78 10.791 14.457 -18.759 1.00 31.13 C ATOM 1194 CG PHE A 78 11.172 13.780 -20.044 1.00 54.14 C ATOM 1195 CD1 PHE A 78 10.538 12.614 -20.443 1.00 12.21 C ATOM 1196 CD2 PHE A 78 12.163 14.310 -20.855 1.00 14.13 C ATOM 1197 CE1 PHE A 78 10.887 11.989 -21.625 1.00 52.11 C ATOM 1198 CE2 PHE A 78 12.516 13.690 -22.038 1.00 74.43 C ATOM 1199 CZ PHE A 78 11.876 12.528 -22.424 1.00 50.14 C ATOM 0 H PHE A 78 8.570 13.911 -17.783 1.00 4.22 H new ATOM 0 HA PHE A 78 11.089 12.538 -17.835 1.00 45.23 H new ATOM 0 HB2 PHE A 78 9.861 15.006 -18.909 1.00 31.13 H new ATOM 0 HB3 PHE A 78 11.556 15.190 -18.503 1.00 31.13 H new ATOM 0 HD1 PHE A 78 9.762 12.189 -19.823 1.00 12.21 H new ATOM 0 HD2 PHE A 78 12.665 15.219 -20.559 1.00 14.13 H new ATOM 0 HE1 PHE A 78 10.387 11.080 -21.924 1.00 52.11 H new ATOM 0 HE2 PHE A 78 13.291 14.113 -22.660 1.00 74.43 H new ATOM 0 HZ PHE A 78 12.149 12.042 -23.349 1.00 50.14 H new ATOM 1209 N ILE A 79 10.818 15.215 -15.897 1.00 22.14 N ATOM 1210 CA ILE A 79 11.373 15.862 -14.714 1.00 63.32 C ATOM 1211 C ILE A 79 11.325 14.933 -13.506 1.00 32.12 C ATOM 1212 O ILE A 79 12.148 15.036 -12.596 1.00 13.13 O ATOM 1213 CB ILE A 79 10.620 17.162 -14.378 1.00 42.43 C ATOM 1214 CG1 ILE A 79 10.632 18.109 -15.580 1.00 75.04 C ATOM 1215 CG2 ILE A 79 11.240 17.834 -13.162 1.00 42.43 C ATOM 1216 CD1 ILE A 79 9.993 19.451 -15.299 1.00 3.14 C ATOM 0 H ILE A 79 10.055 15.727 -16.339 1.00 22.14 H new ATOM 0 HA ILE A 79 12.411 16.102 -14.944 1.00 63.32 H new ATOM 0 HB ILE A 79 9.585 16.915 -14.144 1.00 42.43 H new ATOM 0 HG12 ILE A 79 11.663 18.266 -15.898 1.00 75.04 H new ATOM 0 HG13 ILE A 79 10.111 17.634 -16.411 1.00 75.04 H new ATOM 0 HG21 ILE A 79 10.697 18.752 -12.937 1.00 42.43 H new ATOM 0 HG22 ILE A 79 11.185 17.161 -12.307 1.00 42.43 H new ATOM 0 HG23 ILE A 79 12.283 18.072 -13.370 1.00 42.43 H new ATOM 0 HD11 ILE A 79 10.037 20.070 -16.195 1.00 3.14 H new ATOM 0 HD12 ILE A 79 8.952 19.305 -15.010 1.00 3.14 H new ATOM 0 HD13 ILE A 79 10.528 19.946 -14.489 1.00 3.14 H new ATOM 1228 N LYS A 80 10.356 14.024 -13.504 1.00 31.32 N ATOM 1229 CA LYS A 80 10.200 13.073 -12.409 1.00 65.13 C ATOM 1230 C LYS A 80 11.460 12.230 -12.238 1.00 20.21 C ATOM 1231 O LYS A 80 12.034 12.166 -11.151 1.00 2.43 O ATOM 1232 CB LYS A 80 8.996 12.164 -12.664 1.00 20.44 C ATOM 1233 CG LYS A 80 7.696 12.703 -12.093 1.00 32.43 C ATOM 1234 CD LYS A 80 6.517 11.815 -12.456 1.00 1.04 C ATOM 1235 CE LYS A 80 6.537 10.513 -11.669 1.00 52.24 C ATOM 1236 NZ LYS A 80 6.048 9.366 -12.484 1.00 0.05 N ATOM 0 H LYS A 80 9.666 13.926 -14.249 1.00 31.32 H new ATOM 0 HA LYS A 80 10.034 13.637 -11.491 1.00 65.13 H new ATOM 0 HB2 LYS A 80 8.880 12.022 -13.738 1.00 20.44 H new ATOM 0 HB3 LYS A 80 9.194 11.183 -12.232 1.00 20.44 H new ATOM 0 HG2 LYS A 80 7.777 12.777 -11.009 1.00 32.43 H new ATOM 0 HG3 LYS A 80 7.523 13.711 -12.469 1.00 32.43 H new ATOM 0 HD2 LYS A 80 5.586 12.346 -12.259 1.00 1.04 H new ATOM 0 HD3 LYS A 80 6.540 11.597 -13.524 1.00 1.04 H new ATOM 0 HE2 LYS A 80 7.552 10.310 -11.328 1.00 52.24 H new ATOM 0 HE3 LYS A 80 5.917 10.617 -10.779 1.00 52.24 H new ATOM 0 HZ1 LYS A 80 6.077 8.497 -11.913 1.00 0.05 H new ATOM 0 HZ2 LYS A 80 5.070 9.548 -12.788 1.00 0.05 H new ATOM 0 HZ3 LYS A 80 6.655 9.251 -13.321 1.00 0.05 H new ATOM 1250 N LYS A 81 11.886 11.584 -13.318 1.00 40.44 N ATOM 1251 CA LYS A 81 13.079 10.747 -13.289 1.00 44.13 C ATOM 1252 C LYS A 81 14.341 11.592 -13.435 1.00 13.31 C ATOM 1253 O LYS A 81 15.411 11.214 -12.959 1.00 21.03 O ATOM 1254 CB LYS A 81 13.021 9.702 -14.405 1.00 64.25 C ATOM 1255 CG LYS A 81 12.785 10.296 -15.783 1.00 75.33 C ATOM 1256 CD LYS A 81 13.384 9.426 -16.876 1.00 13.22 C ATOM 1257 CE LYS A 81 14.240 10.243 -17.831 1.00 62.13 C ATOM 1258 NZ LYS A 81 15.258 9.402 -18.521 1.00 13.22 N ATOM 0 H LYS A 81 11.422 11.624 -14.225 1.00 40.44 H new ATOM 0 HA LYS A 81 13.112 10.239 -12.325 1.00 44.13 H new ATOM 0 HB2 LYS A 81 13.956 9.142 -14.415 1.00 64.25 H new ATOM 0 HB3 LYS A 81 12.225 8.991 -14.184 1.00 64.25 H new ATOM 0 HG2 LYS A 81 11.714 10.409 -15.953 1.00 75.33 H new ATOM 0 HG3 LYS A 81 13.222 11.293 -15.830 1.00 75.33 H new ATOM 0 HD2 LYS A 81 13.989 8.639 -16.426 1.00 13.22 H new ATOM 0 HD3 LYS A 81 12.585 8.935 -17.431 1.00 13.22 H new ATOM 0 HE2 LYS A 81 13.601 10.721 -18.573 1.00 62.13 H new ATOM 0 HE3 LYS A 81 14.740 11.039 -17.280 1.00 62.13 H new ATOM 0 HZ1 LYS A 81 15.821 9.995 -19.163 1.00 13.22 H new ATOM 0 HZ2 LYS A 81 15.884 8.965 -17.815 1.00 13.22 H new ATOM 0 HZ3 LYS A 81 14.780 8.657 -19.068 1.00 13.22 H new ATOM 1272 N ARG A 82 14.207 12.738 -14.094 1.00 52.35 N ATOM 1273 CA ARG A 82 15.336 13.637 -14.302 1.00 70.10 C ATOM 1274 C ARG A 82 15.725 14.331 -13.000 1.00 23.41 C ATOM 1275 O ARG A 82 16.865 14.766 -12.832 1.00 54.00 O ATOM 1276 CB ARG A 82 14.995 14.681 -15.367 1.00 0.34 C ATOM 1277 CG ARG A 82 15.736 15.997 -15.189 1.00 33.44 C ATOM 1278 CD ARG A 82 15.689 16.838 -16.454 1.00 52.14 C ATOM 1279 NE ARG A 82 14.323 17.028 -16.935 1.00 72.10 N ATOM 1280 CZ ARG A 82 13.958 18.021 -17.738 1.00 73.02 C ATOM 1281 NH1 ARG A 82 14.853 18.909 -18.149 1.00 35.01 N ATOM 1282 NH2 ARG A 82 12.695 18.127 -18.133 1.00 23.23 N ATOM 0 H ARG A 82 13.328 13.066 -14.493 1.00 52.35 H new ATOM 0 HA ARG A 82 16.183 13.043 -14.644 1.00 70.10 H new ATOM 0 HB2 ARG A 82 15.227 14.273 -16.351 1.00 0.34 H new ATOM 0 HB3 ARG A 82 13.922 14.872 -15.346 1.00 0.34 H new ATOM 0 HG2 ARG A 82 15.295 16.555 -14.363 1.00 33.44 H new ATOM 0 HG3 ARG A 82 16.774 15.798 -14.921 1.00 33.44 H new ATOM 0 HD2 ARG A 82 16.143 17.810 -16.260 1.00 52.14 H new ATOM 0 HD3 ARG A 82 16.283 16.357 -17.231 1.00 52.14 H new ATOM 0 HE ARG A 82 13.610 16.362 -16.638 1.00 72.10 H new ATOM 0 HH11 ARG A 82 15.825 18.830 -17.848 1.00 35.01 H new ATOM 0 HH12 ARG A 82 14.570 19.671 -18.766 1.00 35.01 H new ATOM 0 HH21 ARG A 82 12.004 17.445 -17.820 1.00 23.23 H new ATOM 0 HH22 ARG A 82 12.416 18.890 -18.750 1.00 23.23 H new ATOM 1296 N LYS A 83 14.771 14.430 -12.081 1.00 1.54 N ATOM 1297 CA LYS A 83 15.013 15.070 -10.793 1.00 13.12 C ATOM 1298 C LYS A 83 15.081 14.034 -9.675 1.00 42.32 C ATOM 1299 O LYS A 83 16.057 13.977 -8.928 1.00 70.52 O ATOM 1300 CB LYS A 83 13.911 16.089 -10.492 1.00 21.14 C ATOM 1301 CG LYS A 83 14.337 17.176 -9.520 1.00 42.02 C ATOM 1302 CD LYS A 83 13.504 18.435 -9.692 1.00 44.22 C ATOM 1303 CE LYS A 83 14.109 19.366 -10.732 1.00 5.02 C ATOM 1304 NZ LYS A 83 13.586 20.754 -10.605 1.00 53.33 N ATOM 0 H LYS A 83 13.823 14.075 -12.204 1.00 1.54 H new ATOM 0 HA LYS A 83 15.972 15.585 -10.846 1.00 13.12 H new ATOM 0 HB2 LYS A 83 13.592 16.553 -11.425 1.00 21.14 H new ATOM 0 HB3 LYS A 83 13.046 15.566 -10.083 1.00 21.14 H new ATOM 0 HG2 LYS A 83 14.239 16.810 -8.498 1.00 42.02 H new ATOM 0 HG3 LYS A 83 15.390 17.411 -9.674 1.00 42.02 H new ATOM 0 HD2 LYS A 83 12.491 18.164 -9.990 1.00 44.22 H new ATOM 0 HD3 LYS A 83 13.427 18.955 -8.737 1.00 44.22 H new ATOM 0 HE2 LYS A 83 15.194 19.375 -10.624 1.00 5.02 H new ATOM 0 HE3 LYS A 83 13.891 18.986 -11.730 1.00 5.02 H new ATOM 0 HZ1 LYS A 83 14.022 21.357 -11.331 1.00 53.33 H new ATOM 0 HZ2 LYS A 83 12.554 20.749 -10.733 1.00 53.33 H new ATOM 0 HZ3 LYS A 83 13.816 21.127 -9.662 1.00 53.33 H new ATOM 1318 N GLY A 84 14.038 13.216 -9.567 1.00 43.44 N ATOM 1319 CA GLY A 84 14.001 12.193 -8.539 1.00 64.02 C ATOM 1320 C GLY A 84 13.397 12.695 -7.243 1.00 2.12 C ATOM 1321 O GLY A 84 14.059 13.385 -6.468 1.00 44.52 O ATOM 0 H GLY A 84 13.218 13.244 -10.173 1.00 43.44 H new ATOM 0 HA2 GLY A 84 13.424 11.341 -8.899 1.00 64.02 H new ATOM 0 HA3 GLY A 84 15.013 11.835 -8.350 1.00 64.02 H new