USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 617 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 34 THR OG1 : rot 39:sc= 1.78 USER MOD Set 1.2: A 37 CYS SG : rot -80:sc= 1.35 USER MOD Single : A 3 SER OG : rot -72:sc= 0.757 USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= 1.19 (180deg=1.11) USER MOD Single : A 9 CYS SG : rot 30:sc= 0.0498 USER MOD Single : A 11 GLN : amide:sc= -1.43 K(o=-1.4,f=-2.2) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.494 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= 0.499 K(o=0.5,f=-2.9!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0666 USER MOD Single : A 25 LYS NZ :NH3+ 132:sc= 1.23 (180deg=-0.291) USER MOD Single : A 29 MET CE :methyl 180:sc= -2.18 (180deg=-2.18) USER MOD Single : A 31 MET CE :methyl -131:sc= -3.21! (180deg=-6.01!) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.677 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0.957 K(o=0.96,f=-5.4!) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.12 F(o=-1.3!,f=-0.12) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 46:sc= 0.023 USER MOD Single : A 64 LYS NZ :NH3+ -149:sc= 1.27 (180deg=1.1) USER MOD Single : A 65 SER OG : rot 180:sc= 0.00142 USER MOD Single : A 69 MET CE :methyl -146:sc= -0.901 (180deg=-1.5) USER MOD ----------------------------------------------------------------- ATOM 18 N PHE A 2 -1.792 5.173 10.006 1.00 63.54 N ATOM 19 CA PHE A 2 -2.373 3.994 9.394 1.00 3.42 C ATOM 20 C PHE A 2 -1.565 3.633 8.158 1.00 11.05 C ATOM 21 O PHE A 2 -1.708 4.253 7.103 1.00 24.04 O ATOM 22 CB PHE A 2 -3.841 4.233 9.031 1.00 31.13 C ATOM 23 CG PHE A 2 -4.577 2.973 8.660 1.00 13.41 C ATOM 24 CD1 PHE A 2 -4.604 2.525 7.348 1.00 33.51 C ATOM 25 CD2 PHE A 2 -5.240 2.233 9.628 1.00 24.14 C ATOM 26 CE1 PHE A 2 -5.277 1.367 7.009 1.00 53.34 C ATOM 27 CE2 PHE A 2 -5.914 1.073 9.294 1.00 4.23 C ATOM 28 CZ PHE A 2 -5.933 0.640 7.983 1.00 75.24 C ATOM 0 HA PHE A 2 -2.343 3.167 10.104 1.00 3.42 H new ATOM 0 HB2 PHE A 2 -4.344 4.704 9.875 1.00 31.13 H new ATOM 0 HB3 PHE A 2 -3.892 4.934 8.198 1.00 31.13 H new ATOM 0 HD1 PHE A 2 -4.093 3.088 6.582 1.00 33.51 H new ATOM 0 HD2 PHE A 2 -5.230 2.567 10.655 1.00 24.14 H new ATOM 0 HE1 PHE A 2 -5.290 1.030 5.983 1.00 53.34 H new ATOM 0 HE2 PHE A 2 -6.425 0.506 10.058 1.00 4.23 H new ATOM 0 HZ PHE A 2 -6.460 -0.265 7.720 1.00 75.24 H new ATOM 38 N SER A 3 -0.695 2.654 8.303 1.00 12.11 N ATOM 39 CA SER A 3 0.206 2.284 7.231 1.00 15.44 C ATOM 40 C SER A 3 -0.408 1.212 6.342 1.00 13.31 C ATOM 41 O SER A 3 -1.465 0.662 6.650 1.00 13.24 O ATOM 42 CB SER A 3 1.542 1.803 7.807 1.00 13.53 C ATOM 43 OG SER A 3 1.375 0.672 8.648 1.00 12.11 O ATOM 0 H SER A 3 -0.593 2.100 9.153 1.00 12.11 H new ATOM 0 HA SER A 3 0.384 3.166 6.616 1.00 15.44 H new ATOM 0 HB2 SER A 3 2.221 1.553 6.992 1.00 13.53 H new ATOM 0 HB3 SER A 3 2.007 2.611 8.372 1.00 13.53 H new ATOM 0 HG SER A 3 0.955 0.949 9.489 1.00 12.11 H new ATOM 49 N LEU A 4 0.270 0.913 5.242 1.00 12.44 N ATOM 50 CA LEU A 4 -0.179 -0.112 4.314 1.00 43.21 C ATOM 51 C LEU A 4 -0.168 -1.477 4.997 1.00 25.00 C ATOM 52 O LEU A 4 -0.886 -2.390 4.602 1.00 44.10 O ATOM 53 CB LEU A 4 0.722 -0.125 3.073 1.00 4.14 C ATOM 54 CG LEU A 4 0.219 -0.972 1.903 1.00 4.41 C ATOM 55 CD1 LEU A 4 -1.109 -0.436 1.397 1.00 24.33 C ATOM 56 CD2 LEU A 4 1.249 -0.994 0.784 1.00 1.14 C ATOM 0 H LEU A 4 1.140 1.371 4.971 1.00 12.44 H new ATOM 0 HA LEU A 4 -1.199 0.111 4.002 1.00 43.21 H new ATOM 0 HB2 LEU A 4 0.850 0.901 2.728 1.00 4.14 H new ATOM 0 HB3 LEU A 4 1.707 -0.488 3.365 1.00 4.14 H new ATOM 0 HG LEU A 4 0.068 -1.994 2.251 1.00 4.41 H new ATOM 0 HD11 LEU A 4 -1.455 -1.048 0.564 1.00 24.33 H new ATOM 0 HD12 LEU A 4 -1.844 -0.468 2.201 1.00 24.33 H new ATOM 0 HD13 LEU A 4 -0.982 0.593 1.062 1.00 24.33 H new ATOM 0 HD21 LEU A 4 0.877 -1.601 -0.041 1.00 1.14 H new ATOM 0 HD22 LEU A 4 1.429 0.023 0.435 1.00 1.14 H new ATOM 0 HD23 LEU A 4 2.181 -1.420 1.156 1.00 1.14 H new ATOM 68 N ARG A 5 0.649 -1.598 6.038 1.00 63.41 N ATOM 69 CA ARG A 5 0.732 -2.823 6.810 1.00 22.13 C ATOM 70 C ARG A 5 -0.376 -2.873 7.865 1.00 22.00 C ATOM 71 O ARG A 5 -0.577 -3.890 8.528 1.00 51.01 O ATOM 72 CB ARG A 5 2.106 -2.919 7.469 1.00 13.13 C ATOM 73 CG ARG A 5 2.749 -4.284 7.329 1.00 20.01 C ATOM 74 CD ARG A 5 1.989 -5.343 8.106 1.00 71.43 C ATOM 75 NE ARG A 5 2.458 -6.696 7.820 1.00 43.44 N ATOM 76 CZ ARG A 5 1.819 -7.789 8.225 1.00 40.32 C ATOM 77 NH1 ARG A 5 0.701 -7.678 8.930 1.00 25.05 N ATOM 78 NH2 ARG A 5 2.291 -8.988 7.918 1.00 21.13 N ATOM 0 H ARG A 5 1.266 -0.854 6.365 1.00 63.41 H new ATOM 0 HA ARG A 5 0.597 -3.674 6.142 1.00 22.13 H new ATOM 0 HB2 ARG A 5 2.764 -2.169 7.030 1.00 13.13 H new ATOM 0 HB3 ARG A 5 2.010 -2.678 8.528 1.00 13.13 H new ATOM 0 HG2 ARG A 5 2.787 -4.562 6.276 1.00 20.01 H new ATOM 0 HG3 ARG A 5 3.778 -4.240 7.685 1.00 20.01 H new ATOM 0 HD2 ARG A 5 2.089 -5.146 9.173 1.00 71.43 H new ATOM 0 HD3 ARG A 5 0.928 -5.272 7.866 1.00 71.43 H new ATOM 0 HE ARG A 5 3.318 -6.808 7.283 1.00 43.44 H new ATOM 0 HH11 ARG A 5 0.333 -6.755 9.160 1.00 25.05 H new ATOM 0 HH12 ARG A 5 0.209 -8.516 9.242 1.00 25.05 H new ATOM 0 HH21 ARG A 5 3.147 -9.074 7.370 1.00 21.13 H new ATOM 0 HH22 ARG A 5 1.799 -9.825 8.230 1.00 21.13 H new ATOM 92 N ASP A 6 -1.091 -1.768 8.024 1.00 31.34 N ATOM 93 CA ASP A 6 -2.205 -1.716 8.964 1.00 5.31 C ATOM 94 C ASP A 6 -3.500 -2.113 8.269 1.00 43.43 C ATOM 95 O ASP A 6 -4.519 -2.343 8.918 1.00 2.55 O ATOM 96 CB ASP A 6 -2.350 -0.322 9.587 1.00 71.23 C ATOM 97 CG ASP A 6 -1.255 -0.004 10.589 1.00 33.34 C ATOM 98 OD1 ASP A 6 -0.504 0.970 10.371 1.00 51.10 O ATOM 99 OD2 ASP A 6 -1.134 -0.730 11.597 1.00 62.43 O ATOM 0 H ASP A 6 -0.922 -0.899 7.518 1.00 31.34 H new ATOM 0 HA ASP A 6 -1.996 -2.423 9.766 1.00 5.31 H new ATOM 0 HB2 ASP A 6 -2.339 0.427 8.795 1.00 71.23 H new ATOM 0 HB3 ASP A 6 -3.319 -0.250 10.081 1.00 71.23 H new ATOM 105 N ALA A 7 -3.450 -2.199 6.947 1.00 32.44 N ATOM 106 CA ALA A 7 -4.598 -2.631 6.161 1.00 22.33 C ATOM 107 C ALA A 7 -4.731 -4.151 6.210 1.00 25.21 C ATOM 108 O ALA A 7 -3.860 -4.842 6.742 1.00 63.50 O ATOM 109 CB ALA A 7 -4.462 -2.154 4.724 1.00 72.14 C ATOM 0 H ALA A 7 -2.623 -1.974 6.394 1.00 32.44 H new ATOM 0 HA ALA A 7 -5.500 -2.191 6.587 1.00 22.33 H new ATOM 0 HB1 ALA A 7 -5.327 -2.484 4.148 1.00 72.14 H new ATOM 0 HB2 ALA A 7 -4.407 -1.066 4.706 1.00 72.14 H new ATOM 0 HB3 ALA A 7 -3.554 -2.570 4.287 1.00 72.14 H new ATOM 115 N LYS A 8 -5.825 -4.669 5.670 1.00 24.34 N ATOM 116 CA LYS A 8 -6.058 -6.108 5.661 1.00 70.52 C ATOM 117 C LYS A 8 -6.307 -6.594 4.239 1.00 5.05 C ATOM 118 O LYS A 8 -6.723 -5.817 3.378 1.00 2.20 O ATOM 119 CB LYS A 8 -7.249 -6.486 6.554 1.00 32.35 C ATOM 120 CG LYS A 8 -7.044 -6.194 8.035 1.00 13.32 C ATOM 121 CD LYS A 8 -7.292 -4.728 8.369 1.00 62.42 C ATOM 122 CE LYS A 8 -6.987 -4.416 9.828 1.00 41.31 C ATOM 123 NZ LYS A 8 -5.534 -4.513 10.127 1.00 74.30 N ATOM 0 H LYS A 8 -6.564 -4.117 5.234 1.00 24.34 H new ATOM 0 HA LYS A 8 -5.165 -6.592 6.057 1.00 70.52 H new ATOM 0 HB2 LYS A 8 -8.131 -5.947 6.209 1.00 32.35 H new ATOM 0 HB3 LYS A 8 -7.456 -7.549 6.431 1.00 32.35 H new ATOM 0 HG2 LYS A 8 -7.716 -6.818 8.624 1.00 13.32 H new ATOM 0 HG3 LYS A 8 -6.027 -6.463 8.320 1.00 13.32 H new ATOM 0 HD2 LYS A 8 -6.674 -4.100 7.727 1.00 62.42 H new ATOM 0 HD3 LYS A 8 -8.331 -4.478 8.154 1.00 62.42 H new ATOM 0 HE2 LYS A 8 -7.340 -3.412 10.065 1.00 41.31 H new ATOM 0 HE3 LYS A 8 -7.536 -5.106 10.469 1.00 41.31 H new ATOM 0 HZ1 LYS A 8 -5.349 -4.132 11.077 1.00 74.30 H new ATOM 0 HZ2 LYS A 8 -5.238 -5.509 10.089 1.00 74.30 H new ATOM 0 HZ3 LYS A 8 -4.998 -3.966 9.424 1.00 74.30 H new ATOM 137 N CYS A 9 -6.054 -7.876 3.996 1.00 2.33 N ATOM 138 CA CYS A 9 -6.261 -8.454 2.674 1.00 71.01 C ATOM 139 C CYS A 9 -7.742 -8.410 2.301 1.00 12.23 C ATOM 140 O CYS A 9 -8.606 -8.820 3.082 1.00 4.30 O ATOM 141 CB CYS A 9 -5.732 -9.893 2.623 1.00 4.22 C ATOM 142 SG CYS A 9 -6.465 -11.003 3.848 1.00 2.04 S ATOM 0 H CYS A 9 -5.706 -8.532 4.695 1.00 2.33 H new ATOM 0 HA CYS A 9 -5.704 -7.862 1.947 1.00 71.01 H new ATOM 0 HB2 CYS A 9 -5.914 -10.299 1.628 1.00 4.22 H new ATOM 0 HB3 CYS A 9 -4.652 -9.875 2.767 1.00 4.22 H new ATOM 0 HG CYS A 9 -7.681 -10.623 4.105 1.00 2.04 H new ATOM 148 N GLY A 10 -8.032 -7.895 1.115 1.00 73.42 N ATOM 149 CA GLY A 10 -9.409 -7.743 0.688 1.00 34.33 C ATOM 150 C GLY A 10 -9.887 -6.309 0.800 1.00 1.22 C ATOM 151 O GLY A 10 -11.073 -6.024 0.628 1.00 32.04 O ATOM 0 H GLY A 10 -7.337 -7.579 0.439 1.00 73.42 H new ATOM 0 HA2 GLY A 10 -9.507 -8.077 -0.345 1.00 34.33 H new ATOM 0 HA3 GLY A 10 -10.048 -8.386 1.293 1.00 34.33 H new ATOM 155 N GLN A 11 -8.964 -5.406 1.103 1.00 3.32 N ATOM 156 CA GLN A 11 -9.282 -3.987 1.206 1.00 30.20 C ATOM 157 C GLN A 11 -8.560 -3.182 0.137 1.00 13.31 C ATOM 158 O GLN A 11 -7.452 -3.531 -0.282 1.00 35.43 O ATOM 159 CB GLN A 11 -8.913 -3.449 2.590 1.00 40.01 C ATOM 160 CG GLN A 11 -9.873 -3.880 3.684 1.00 34.50 C ATOM 161 CD GLN A 11 -9.473 -3.367 5.054 1.00 53.23 C ATOM 162 OE1 GLN A 11 -8.809 -2.339 5.176 1.00 11.34 O ATOM 163 NE2 GLN A 11 -9.891 -4.071 6.090 1.00 60.44 N ATOM 0 H GLN A 11 -7.986 -5.632 1.282 1.00 3.32 H new ATOM 0 HA GLN A 11 -10.356 -3.881 1.056 1.00 30.20 H new ATOM 0 HB2 GLN A 11 -7.908 -3.786 2.846 1.00 40.01 H new ATOM 0 HB3 GLN A 11 -8.884 -2.360 2.552 1.00 40.01 H new ATOM 0 HG2 GLN A 11 -10.874 -3.521 3.445 1.00 34.50 H new ATOM 0 HG3 GLN A 11 -9.923 -4.969 3.709 1.00 34.50 H new ATOM 0 HE21 GLN A 11 -10.440 -4.918 5.943 1.00 60.44 H new ATOM 0 HE22 GLN A 11 -9.665 -3.768 7.037 1.00 60.44 H new ATOM 172 N THR A 12 -9.199 -2.110 -0.309 1.00 23.13 N ATOM 173 CA THR A 12 -8.586 -1.188 -1.244 1.00 52.51 C ATOM 174 C THR A 12 -8.265 0.125 -0.542 1.00 63.54 C ATOM 175 O THR A 12 -9.150 0.777 0.010 1.00 12.14 O ATOM 176 CB THR A 12 -9.507 -0.918 -2.450 1.00 0.43 C ATOM 177 OG1 THR A 12 -9.908 -2.160 -3.042 1.00 41.24 O ATOM 178 CG2 THR A 12 -8.802 -0.064 -3.495 1.00 22.12 C ATOM 0 H THR A 12 -10.149 -1.859 -0.034 1.00 23.13 H new ATOM 0 HA THR A 12 -7.666 -1.643 -1.612 1.00 52.51 H new ATOM 0 HB THR A 12 -10.384 -0.378 -2.094 1.00 0.43 H new ATOM 0 HG1 THR A 12 -10.494 -1.983 -3.807 1.00 41.24 H new ATOM 0 HG21 THR A 12 -9.474 0.111 -4.335 1.00 22.12 H new ATOM 0 HG22 THR A 12 -8.517 0.891 -3.053 1.00 22.12 H new ATOM 0 HG23 THR A 12 -7.910 -0.582 -3.846 1.00 22.12 H new ATOM 186 N VAL A 13 -6.999 0.494 -0.544 1.00 4.52 N ATOM 187 CA VAL A 13 -6.561 1.729 0.081 1.00 71.15 C ATOM 188 C VAL A 13 -5.890 2.630 -0.944 1.00 12.33 C ATOM 189 O VAL A 13 -5.680 2.226 -2.082 1.00 34.53 O ATOM 190 CB VAL A 13 -5.583 1.461 1.248 1.00 61.51 C ATOM 191 CG1 VAL A 13 -6.281 0.725 2.380 1.00 23.22 C ATOM 192 CG2 VAL A 13 -4.373 0.677 0.769 1.00 33.50 C ATOM 0 H VAL A 13 -6.250 -0.048 -0.975 1.00 4.52 H new ATOM 0 HA VAL A 13 -7.446 2.224 0.482 1.00 71.15 H new ATOM 0 HB VAL A 13 -5.239 2.424 1.627 1.00 61.51 H new ATOM 0 HG11 VAL A 13 -5.573 0.548 3.190 1.00 23.22 H new ATOM 0 HG12 VAL A 13 -7.111 1.328 2.749 1.00 23.22 H new ATOM 0 HG13 VAL A 13 -6.660 -0.229 2.014 1.00 23.22 H new ATOM 0 HG21 VAL A 13 -3.699 0.500 1.607 1.00 33.50 H new ATOM 0 HG22 VAL A 13 -4.698 -0.278 0.357 1.00 33.50 H new ATOM 0 HG23 VAL A 13 -3.853 1.246 -0.001 1.00 33.50 H new ATOM 202 N LYS A 14 -5.578 3.850 -0.551 1.00 71.03 N ATOM 203 CA LYS A 14 -4.838 4.759 -1.415 1.00 30.34 C ATOM 204 C LYS A 14 -3.690 5.393 -0.657 1.00 32.33 C ATOM 205 O LYS A 14 -3.761 5.577 0.556 1.00 42.53 O ATOM 206 CB LYS A 14 -5.739 5.853 -1.976 1.00 25.11 C ATOM 207 CG LYS A 14 -6.760 5.361 -2.985 1.00 40.32 C ATOM 208 CD LYS A 14 -7.609 6.503 -3.514 1.00 24.41 C ATOM 209 CE LYS A 14 -8.214 7.300 -2.375 1.00 24.03 C ATOM 210 NZ LYS A 14 -9.243 8.260 -2.851 1.00 62.42 N ATOM 0 H LYS A 14 -5.824 4.237 0.360 1.00 71.03 H new ATOM 0 HA LYS A 14 -4.447 4.172 -2.246 1.00 30.34 H new ATOM 0 HB2 LYS A 14 -6.263 6.335 -1.151 1.00 25.11 H new ATOM 0 HB3 LYS A 14 -5.117 6.614 -2.447 1.00 25.11 H new ATOM 0 HG2 LYS A 14 -6.248 4.871 -3.814 1.00 40.32 H new ATOM 0 HG3 LYS A 14 -7.402 4.613 -2.520 1.00 40.32 H new ATOM 0 HD2 LYS A 14 -6.999 7.157 -4.137 1.00 24.41 H new ATOM 0 HD3 LYS A 14 -8.402 6.108 -4.148 1.00 24.41 H new ATOM 0 HE2 LYS A 14 -8.662 6.617 -1.653 1.00 24.03 H new ATOM 0 HE3 LYS A 14 -7.426 7.843 -1.854 1.00 24.03 H new ATOM 0 HZ1 LYS A 14 -9.631 8.784 -2.040 1.00 62.42 H new ATOM 0 HZ2 LYS A 14 -8.811 8.928 -3.521 1.00 62.42 H new ATOM 0 HZ3 LYS A 14 -10.009 7.741 -3.326 1.00 62.42 H new ATOM 224 N VAL A 15 -2.640 5.724 -1.379 1.00 54.35 N ATOM 225 CA VAL A 15 -1.457 6.324 -0.779 1.00 64.12 C ATOM 226 C VAL A 15 -1.673 7.813 -0.549 1.00 43.41 C ATOM 227 O VAL A 15 -2.118 8.522 -1.453 1.00 71.41 O ATOM 228 CB VAL A 15 -0.214 6.130 -1.665 1.00 1.52 C ATOM 229 CG1 VAL A 15 1.032 6.646 -0.966 1.00 31.12 C ATOM 230 CG2 VAL A 15 -0.053 4.670 -2.045 1.00 74.12 C ATOM 0 H VAL A 15 -2.578 5.588 -2.388 1.00 54.35 H new ATOM 0 HA VAL A 15 -1.290 5.823 0.174 1.00 64.12 H new ATOM 0 HB VAL A 15 -0.352 6.708 -2.579 1.00 1.52 H new ATOM 0 HG11 VAL A 15 1.898 6.499 -1.611 1.00 31.12 H new ATOM 0 HG12 VAL A 15 0.916 7.708 -0.752 1.00 31.12 H new ATOM 0 HG13 VAL A 15 1.177 6.102 -0.033 1.00 31.12 H new ATOM 0 HG21 VAL A 15 0.831 4.552 -2.671 1.00 74.12 H new ATOM 0 HG22 VAL A 15 0.059 4.069 -1.142 1.00 74.12 H new ATOM 0 HG23 VAL A 15 -0.934 4.338 -2.595 1.00 74.12 H new ATOM 240 N VAL A 16 -1.366 8.284 0.649 1.00 43.20 N ATOM 241 CA VAL A 16 -1.492 9.703 0.951 1.00 4.13 C ATOM 242 C VAL A 16 -0.158 10.320 1.364 1.00 72.15 C ATOM 243 O VAL A 16 0.178 11.428 0.941 1.00 24.43 O ATOM 244 CB VAL A 16 -2.556 9.977 2.041 1.00 41.25 C ATOM 245 CG1 VAL A 16 -3.958 9.772 1.485 1.00 65.23 C ATOM 246 CG2 VAL A 16 -2.338 9.092 3.260 1.00 33.44 C ATOM 0 H VAL A 16 -1.030 7.711 1.423 1.00 43.20 H new ATOM 0 HA VAL A 16 -1.821 10.177 0.026 1.00 4.13 H new ATOM 0 HB VAL A 16 -2.451 11.016 2.354 1.00 41.25 H new ATOM 0 HG11 VAL A 16 -4.692 9.969 2.266 1.00 65.23 H new ATOM 0 HG12 VAL A 16 -4.122 10.455 0.652 1.00 65.23 H new ATOM 0 HG13 VAL A 16 -4.065 8.744 1.138 1.00 65.23 H new ATOM 0 HG21 VAL A 16 -3.101 9.308 4.008 1.00 33.44 H new ATOM 0 HG22 VAL A 16 -2.405 8.045 2.966 1.00 33.44 H new ATOM 0 HG23 VAL A 16 -1.352 9.289 3.681 1.00 33.44 H new ATOM 256 N LYS A 17 0.612 9.605 2.169 1.00 41.13 N ATOM 257 CA LYS A 17 1.882 10.128 2.656 1.00 51.34 C ATOM 258 C LYS A 17 2.933 9.026 2.669 1.00 53.24 C ATOM 259 O LYS A 17 2.645 7.888 3.027 1.00 4.42 O ATOM 260 CB LYS A 17 1.694 10.717 4.057 1.00 64.25 C ATOM 261 CG LYS A 17 2.845 11.594 4.534 1.00 20.23 C ATOM 262 CD LYS A 17 2.433 12.415 5.747 1.00 52.44 C ATOM 263 CE LYS A 17 3.528 13.371 6.199 1.00 52.32 C ATOM 264 NZ LYS A 17 4.637 12.667 6.896 1.00 63.22 N ATOM 0 H LYS A 17 0.383 8.667 2.498 1.00 41.13 H new ATOM 0 HA LYS A 17 2.226 10.918 1.989 1.00 51.34 H new ATOM 0 HB2 LYS A 17 0.776 11.305 4.070 1.00 64.25 H new ATOM 0 HB3 LYS A 17 1.559 9.900 4.766 1.00 64.25 H new ATOM 0 HG2 LYS A 17 3.703 10.970 4.786 1.00 20.23 H new ATOM 0 HG3 LYS A 17 3.159 12.259 3.729 1.00 20.23 H new ATOM 0 HD2 LYS A 17 1.534 12.983 5.509 1.00 52.44 H new ATOM 0 HD3 LYS A 17 2.179 11.744 6.567 1.00 52.44 H new ATOM 0 HE2 LYS A 17 3.924 13.902 5.333 1.00 52.32 H new ATOM 0 HE3 LYS A 17 3.101 14.121 6.865 1.00 52.32 H new ATOM 0 HZ1 LYS A 17 5.359 13.357 7.185 1.00 63.22 H new ATOM 0 HZ2 LYS A 17 4.265 12.181 7.737 1.00 63.22 H new ATOM 0 HZ3 LYS A 17 5.063 11.969 6.253 1.00 63.22 H new ATOM 278 N LEU A 18 4.147 9.356 2.268 1.00 1.34 N ATOM 279 CA LEU A 18 5.210 8.365 2.211 1.00 30.13 C ATOM 280 C LEU A 18 6.300 8.683 3.221 1.00 34.23 C ATOM 281 O LEU A 18 6.954 9.725 3.135 1.00 2.13 O ATOM 282 CB LEU A 18 5.793 8.285 0.800 1.00 24.15 C ATOM 283 CG LEU A 18 4.840 7.726 -0.262 1.00 1.51 C ATOM 284 CD1 LEU A 18 5.490 7.768 -1.635 1.00 24.55 C ATOM 285 CD2 LEU A 18 4.435 6.301 0.092 1.00 32.43 C ATOM 0 H LEU A 18 4.422 10.295 1.979 1.00 1.34 H new ATOM 0 HA LEU A 18 4.784 7.394 2.465 1.00 30.13 H new ATOM 0 HB2 LEU A 18 6.107 9.283 0.496 1.00 24.15 H new ATOM 0 HB3 LEU A 18 6.688 7.663 0.827 1.00 24.15 H new ATOM 0 HG LEU A 18 3.944 8.347 -0.287 1.00 1.51 H new ATOM 0 HD11 LEU A 18 4.799 7.367 -2.377 1.00 24.55 H new ATOM 0 HD12 LEU A 18 5.738 8.799 -1.889 1.00 24.55 H new ATOM 0 HD13 LEU A 18 6.400 7.168 -1.625 1.00 24.55 H new ATOM 0 HD21 LEU A 18 3.758 5.915 -0.670 1.00 32.43 H new ATOM 0 HD22 LEU A 18 5.324 5.672 0.140 1.00 32.43 H new ATOM 0 HD23 LEU A 18 3.933 6.295 1.060 1.00 32.43 H new ATOM 297 N HIS A 19 6.480 7.792 4.183 1.00 1.51 N ATOM 298 CA HIS A 19 7.507 7.962 5.201 1.00 21.33 C ATOM 299 C HIS A 19 8.825 7.389 4.693 1.00 52.41 C ATOM 300 O HIS A 19 8.830 6.507 3.836 1.00 4.52 O ATOM 301 CB HIS A 19 7.109 7.256 6.508 1.00 62.24 C ATOM 302 CG HIS A 19 5.813 7.720 7.122 1.00 71.22 C ATOM 303 ND1 HIS A 19 5.689 8.046 8.453 1.00 43.50 N ATOM 304 CD2 HIS A 19 4.570 7.861 6.593 1.00 12.33 C ATOM 305 CE1 HIS A 19 4.437 8.369 8.715 1.00 64.31 C ATOM 306 NE2 HIS A 19 3.732 8.264 7.605 1.00 45.12 N ATOM 0 H HIS A 19 5.927 6.941 4.281 1.00 1.51 H new ATOM 0 HA HIS A 19 7.618 9.027 5.405 1.00 21.33 H new ATOM 0 HB2 HIS A 19 7.038 6.185 6.316 1.00 62.24 H new ATOM 0 HB3 HIS A 19 7.908 7.397 7.236 1.00 62.24 H new ATOM 0 HD2 HIS A 19 4.291 7.688 5.564 1.00 12.33 H new ATOM 0 HE1 HIS A 19 4.053 8.670 9.679 1.00 64.31 H new ATOM 0 HE2 HIS A 19 2.733 8.450 7.513 1.00 45.12 H new ATOM 315 N GLY A 20 9.936 7.894 5.205 1.00 1.10 N ATOM 316 CA GLY A 20 11.227 7.374 4.804 1.00 75.33 C ATOM 317 C GLY A 20 12.295 8.441 4.746 1.00 74.34 C ATOM 318 O GLY A 20 11.993 9.635 4.712 1.00 63.41 O ATOM 0 H GLY A 20 9.968 8.651 5.888 1.00 1.10 H new ATOM 0 HA2 GLY A 20 11.534 6.597 5.504 1.00 75.33 H new ATOM 0 HA3 GLY A 20 11.136 6.904 3.825 1.00 75.33 H new ATOM 322 N THR A 21 13.547 8.009 4.712 1.00 44.44 N ATOM 323 CA THR A 21 14.686 8.916 4.684 1.00 41.54 C ATOM 324 C THR A 21 14.984 9.399 3.263 1.00 13.51 C ATOM 325 O THR A 21 16.141 9.625 2.901 1.00 21.34 O ATOM 326 CB THR A 21 15.931 8.213 5.246 1.00 4.23 C ATOM 327 OG1 THR A 21 15.554 6.946 5.809 1.00 63.44 O ATOM 328 CG2 THR A 21 16.606 9.071 6.305 1.00 31.42 C ATOM 0 H THR A 21 13.802 7.021 4.703 1.00 44.44 H new ATOM 0 HA THR A 21 14.434 9.780 5.298 1.00 41.54 H new ATOM 0 HB THR A 21 16.639 8.055 4.433 1.00 4.23 H new ATOM 0 HG1 THR A 21 16.349 6.497 6.166 1.00 63.44 H new ATOM 0 HG21 THR A 21 17.485 8.552 6.688 1.00 31.42 H new ATOM 0 HG22 THR A 21 16.909 10.021 5.865 1.00 31.42 H new ATOM 0 HG23 THR A 21 15.909 9.256 7.122 1.00 31.42 H new ATOM 336 N GLY A 22 13.941 9.564 2.461 1.00 24.44 N ATOM 337 CA GLY A 22 14.111 10.022 1.094 1.00 63.41 C ATOM 338 C GLY A 22 14.317 8.882 0.120 1.00 60.11 C ATOM 339 O GLY A 22 13.476 8.641 -0.748 1.00 24.24 O ATOM 0 H GLY A 22 12.974 9.388 2.734 1.00 24.44 H new ATOM 0 HA2 GLY A 22 13.234 10.596 0.795 1.00 63.41 H new ATOM 0 HA3 GLY A 22 14.966 10.697 1.044 1.00 63.41 H new ATOM 343 N ALA A 23 15.426 8.170 0.275 1.00 35.43 N ATOM 344 CA ALA A 23 15.772 7.075 -0.623 1.00 1.43 C ATOM 345 C ALA A 23 14.692 5.998 -0.625 1.00 22.31 C ATOM 346 O ALA A 23 14.317 5.487 -1.682 1.00 42.24 O ATOM 347 CB ALA A 23 17.112 6.480 -0.231 1.00 72.54 C ATOM 0 H ALA A 23 16.105 8.332 1.019 1.00 35.43 H new ATOM 0 HA ALA A 23 15.844 7.477 -1.634 1.00 1.43 H new ATOM 0 HB1 ALA A 23 17.360 5.663 -0.909 1.00 72.54 H new ATOM 0 HB2 ALA A 23 17.883 7.248 -0.292 1.00 72.54 H new ATOM 0 HB3 ALA A 23 17.057 6.101 0.789 1.00 72.54 H new ATOM 353 N LEU A 24 14.198 5.653 0.558 1.00 20.51 N ATOM 354 CA LEU A 24 13.135 4.664 0.685 1.00 15.51 C ATOM 355 C LEU A 24 11.880 5.146 -0.051 1.00 73.24 C ATOM 356 O LEU A 24 11.262 4.394 -0.802 1.00 2.31 O ATOM 357 CB LEU A 24 12.839 4.406 2.172 1.00 0.52 C ATOM 358 CG LEU A 24 12.229 3.034 2.514 1.00 0.35 C ATOM 359 CD1 LEU A 24 10.786 2.933 2.043 1.00 64.32 C ATOM 360 CD2 LEU A 24 13.064 1.917 1.902 1.00 34.34 C ATOM 0 H LEU A 24 14.517 6.044 1.444 1.00 20.51 H new ATOM 0 HA LEU A 24 13.455 3.726 0.231 1.00 15.51 H new ATOM 0 HB2 LEU A 24 13.768 4.517 2.731 1.00 0.52 H new ATOM 0 HB3 LEU A 24 12.159 5.181 2.526 1.00 0.52 H new ATOM 0 HG LEU A 24 12.234 2.928 3.599 1.00 0.35 H new ATOM 0 HD11 LEU A 24 10.387 1.952 2.301 1.00 64.32 H new ATOM 0 HD12 LEU A 24 10.190 3.706 2.528 1.00 64.32 H new ATOM 0 HD13 LEU A 24 10.746 3.069 0.962 1.00 64.32 H new ATOM 0 HD21 LEU A 24 12.621 0.953 2.152 1.00 34.34 H new ATOM 0 HD22 LEU A 24 13.091 2.034 0.819 1.00 34.34 H new ATOM 0 HD23 LEU A 24 14.079 1.963 2.297 1.00 34.34 H new ATOM 372 N LYS A 25 11.536 6.415 0.153 1.00 33.41 N ATOM 373 CA LYS A 25 10.377 7.026 -0.500 1.00 12.12 C ATOM 374 C LYS A 25 10.505 6.954 -2.016 1.00 72.24 C ATOM 375 O LYS A 25 9.572 6.557 -2.715 1.00 21.01 O ATOM 376 CB LYS A 25 10.247 8.489 -0.069 1.00 13.14 C ATOM 377 CG LYS A 25 9.847 8.670 1.385 1.00 44.43 C ATOM 378 CD LYS A 25 10.155 10.076 1.884 1.00 33.34 C ATOM 379 CE LYS A 25 9.519 11.157 1.018 1.00 54.30 C ATOM 380 NZ LYS A 25 8.036 11.053 0.971 1.00 15.43 N ATOM 0 H LYS A 25 12.047 7.046 0.770 1.00 33.41 H new ATOM 0 HA LYS A 25 9.487 6.473 -0.199 1.00 12.12 H new ATOM 0 HB2 LYS A 25 11.198 8.993 -0.239 1.00 13.14 H new ATOM 0 HB3 LYS A 25 9.508 8.980 -0.703 1.00 13.14 H new ATOM 0 HG2 LYS A 25 8.781 8.470 1.497 1.00 44.43 H new ATOM 0 HG3 LYS A 25 10.375 7.942 2.001 1.00 44.43 H new ATOM 0 HD2 LYS A 25 9.799 10.180 2.909 1.00 33.34 H new ATOM 0 HD3 LYS A 25 11.235 10.222 1.906 1.00 33.34 H new ATOM 0 HE2 LYS A 25 9.799 12.137 1.403 1.00 54.30 H new ATOM 0 HE3 LYS A 25 9.917 11.087 0.006 1.00 54.30 H new ATOM 0 HZ1 LYS A 25 7.617 11.988 1.146 1.00 15.43 H new ATOM 0 HZ2 LYS A 25 7.741 10.711 0.034 1.00 15.43 H new ATOM 0 HZ3 LYS A 25 7.711 10.386 1.700 1.00 15.43 H new ATOM 394 N ARG A 26 11.673 7.334 -2.516 1.00 65.44 N ATOM 395 CA ARG A 26 11.928 7.343 -3.947 1.00 24.33 C ATOM 396 C ARG A 26 11.840 5.921 -4.507 1.00 23.12 C ATOM 397 O ARG A 26 11.348 5.714 -5.614 1.00 2.12 O ATOM 398 CB ARG A 26 13.302 7.978 -4.223 1.00 4.43 C ATOM 399 CG ARG A 26 13.479 8.500 -5.644 1.00 25.35 C ATOM 400 CD ARG A 26 13.771 7.382 -6.627 1.00 13.33 C ATOM 401 NE ARG A 26 13.737 7.838 -8.014 1.00 4.45 N ATOM 402 CZ ARG A 26 13.686 7.015 -9.056 1.00 61.51 C ATOM 403 NH1 ARG A 26 13.777 5.708 -8.871 1.00 32.11 N ATOM 404 NH2 ARG A 26 13.579 7.497 -10.283 1.00 72.53 N ATOM 0 H ARG A 26 12.462 7.641 -1.947 1.00 65.44 H new ATOM 0 HA ARG A 26 11.170 7.943 -4.451 1.00 24.33 H new ATOM 0 HB2 ARG A 26 13.456 8.801 -3.525 1.00 4.43 H new ATOM 0 HB3 ARG A 26 14.078 7.239 -4.021 1.00 4.43 H new ATOM 0 HG2 ARG A 26 12.576 9.027 -5.952 1.00 25.35 H new ATOM 0 HG3 ARG A 26 14.294 9.224 -5.666 1.00 25.35 H new ATOM 0 HD2 ARG A 26 14.752 6.958 -6.411 1.00 13.33 H new ATOM 0 HD3 ARG A 26 13.042 6.583 -6.492 1.00 13.33 H new ATOM 0 HE ARG A 26 13.753 8.842 -8.192 1.00 4.45 H new ATOM 0 HH11 ARG A 26 13.886 5.333 -7.929 1.00 32.11 H new ATOM 0 HH12 ARG A 26 13.738 5.076 -9.671 1.00 32.11 H new ATOM 0 HH21 ARG A 26 13.535 8.505 -10.433 1.00 72.53 H new ATOM 0 HH22 ARG A 26 13.540 6.861 -11.079 1.00 72.53 H new ATOM 418 N ARG A 27 12.289 4.944 -3.724 1.00 22.02 N ATOM 419 CA ARG A 27 12.226 3.540 -4.127 1.00 24.51 C ATOM 420 C ARG A 27 10.772 3.093 -4.277 1.00 51.01 C ATOM 421 O ARG A 27 10.422 2.383 -5.222 1.00 20.43 O ATOM 422 CB ARG A 27 12.931 2.657 -3.095 1.00 41.42 C ATOM 423 CG ARG A 27 13.100 1.215 -3.540 1.00 1.22 C ATOM 424 CD ARG A 27 13.561 0.326 -2.394 1.00 13.03 C ATOM 425 NE ARG A 27 13.885 -1.026 -2.841 1.00 13.11 N ATOM 426 CZ ARG A 27 13.002 -2.022 -2.923 1.00 10.20 C ATOM 427 NH1 ARG A 27 11.729 -1.823 -2.597 1.00 54.54 N ATOM 428 NH2 ARG A 27 13.395 -3.219 -3.335 1.00 33.44 N ATOM 0 H ARG A 27 12.702 5.098 -2.804 1.00 22.02 H new ATOM 0 HA ARG A 27 12.731 3.438 -5.088 1.00 24.51 H new ATOM 0 HB2 ARG A 27 13.913 3.079 -2.879 1.00 41.42 H new ATOM 0 HB3 ARG A 27 12.364 2.677 -2.165 1.00 41.42 H new ATOM 0 HG2 ARG A 27 12.154 0.842 -3.933 1.00 1.22 H new ATOM 0 HG3 ARG A 27 13.825 1.167 -4.353 1.00 1.22 H new ATOM 0 HD2 ARG A 27 14.437 0.770 -1.921 1.00 13.03 H new ATOM 0 HD3 ARG A 27 12.779 0.279 -1.636 1.00 13.03 H new ATOM 0 HE ARG A 27 14.850 -1.221 -3.108 1.00 13.11 H new ATOM 0 HH11 ARG A 27 11.421 -0.903 -2.281 1.00 54.54 H new ATOM 0 HH12 ARG A 27 11.060 -2.590 -2.663 1.00 54.54 H new ATOM 0 HH21 ARG A 27 14.370 -3.376 -3.588 1.00 33.44 H new ATOM 0 HH22 ARG A 27 12.722 -3.983 -3.399 1.00 33.44 H new ATOM 442 N ILE A 28 9.932 3.518 -3.338 1.00 44.11 N ATOM 443 CA ILE A 28 8.509 3.201 -3.376 1.00 24.44 C ATOM 444 C ILE A 28 7.880 3.742 -4.655 1.00 14.13 C ATOM 445 O ILE A 28 7.184 3.025 -5.378 1.00 50.52 O ATOM 446 CB ILE A 28 7.765 3.794 -2.158 1.00 15.14 C ATOM 447 CG1 ILE A 28 8.346 3.242 -0.854 1.00 11.12 C ATOM 448 CG2 ILE A 28 6.275 3.493 -2.244 1.00 11.44 C ATOM 449 CD1 ILE A 28 7.735 3.851 0.389 1.00 55.10 C ATOM 0 H ILE A 28 10.214 4.085 -2.539 1.00 44.11 H new ATOM 0 HA ILE A 28 8.416 2.115 -3.348 1.00 24.44 H new ATOM 0 HB ILE A 28 7.900 4.876 -2.167 1.00 15.14 H new ATOM 0 HG12 ILE A 28 8.199 2.162 -0.829 1.00 11.12 H new ATOM 0 HG13 ILE A 28 9.422 3.417 -0.843 1.00 11.12 H new ATOM 0 HG21 ILE A 28 5.767 3.918 -1.378 1.00 11.44 H new ATOM 0 HG22 ILE A 28 5.867 3.931 -3.155 1.00 11.44 H new ATOM 0 HG23 ILE A 28 6.122 2.414 -2.261 1.00 11.44 H new ATOM 0 HD11 ILE A 28 8.196 3.412 1.274 1.00 55.10 H new ATOM 0 HD12 ILE A 28 7.905 4.928 0.388 1.00 55.10 H new ATOM 0 HD13 ILE A 28 6.663 3.653 0.402 1.00 55.10 H new ATOM 461 N MET A 29 8.158 5.010 -4.937 1.00 13.52 N ATOM 462 CA MET A 29 7.613 5.675 -6.112 1.00 2.24 C ATOM 463 C MET A 29 8.167 5.062 -7.395 1.00 64.55 C ATOM 464 O MET A 29 7.494 5.042 -8.426 1.00 51.35 O ATOM 465 CB MET A 29 7.919 7.172 -6.072 1.00 44.32 C ATOM 466 CG MET A 29 7.312 7.881 -4.872 1.00 31.33 C ATOM 467 SD MET A 29 7.605 9.662 -4.882 1.00 15.41 S ATOM 468 CE MET A 29 9.397 9.717 -4.879 1.00 51.35 C ATOM 0 H MET A 29 8.761 5.600 -4.364 1.00 13.52 H new ATOM 0 HA MET A 29 6.532 5.536 -6.103 1.00 2.24 H new ATOM 0 HB2 MET A 29 9.000 7.314 -6.060 1.00 44.32 H new ATOM 0 HB3 MET A 29 7.547 7.636 -6.985 1.00 44.32 H new ATOM 0 HG2 MET A 29 6.238 7.695 -4.852 1.00 31.33 H new ATOM 0 HG3 MET A 29 7.726 7.455 -3.958 1.00 31.33 H new ATOM 0 HE1 MET A 29 9.729 10.755 -4.885 1.00 51.35 H new ATOM 0 HE2 MET A 29 9.775 9.220 -3.986 1.00 51.35 H new ATOM 0 HE3 MET A 29 9.778 9.209 -5.765 1.00 51.35 H new ATOM 478 N ASP A 30 9.392 4.560 -7.319 1.00 10.11 N ATOM 479 CA ASP A 30 10.050 3.938 -8.466 1.00 51.22 C ATOM 480 C ASP A 30 9.295 2.694 -8.931 1.00 32.33 C ATOM 481 O ASP A 30 9.218 2.409 -10.126 1.00 13.15 O ATOM 482 CB ASP A 30 11.489 3.569 -8.109 1.00 13.52 C ATOM 483 CG ASP A 30 12.220 2.890 -9.248 1.00 61.20 C ATOM 484 OD1 ASP A 30 12.439 1.665 -9.173 1.00 33.42 O ATOM 485 OD2 ASP A 30 12.584 3.581 -10.226 1.00 4.03 O ATOM 0 H ASP A 30 9.956 4.571 -6.469 1.00 10.11 H new ATOM 0 HA ASP A 30 10.053 4.659 -9.283 1.00 51.22 H new ATOM 0 HB2 ASP A 30 12.030 4.471 -7.822 1.00 13.52 H new ATOM 0 HB3 ASP A 30 11.486 2.910 -7.241 1.00 13.52 H new ATOM 491 N MET A 31 8.730 1.960 -7.981 1.00 1.42 N ATOM 492 CA MET A 31 7.987 0.745 -8.296 1.00 62.12 C ATOM 493 C MET A 31 6.629 1.071 -8.912 1.00 14.12 C ATOM 494 O MET A 31 6.018 0.227 -9.569 1.00 73.43 O ATOM 495 CB MET A 31 7.794 -0.106 -7.042 1.00 11.31 C ATOM 496 CG MET A 31 9.079 -0.719 -6.515 1.00 71.34 C ATOM 497 SD MET A 31 8.832 -1.621 -4.971 1.00 45.43 S ATOM 498 CE MET A 31 8.285 -0.297 -3.897 1.00 23.23 C ATOM 0 H MET A 31 8.772 2.184 -6.987 1.00 1.42 H new ATOM 0 HA MET A 31 8.570 0.182 -9.025 1.00 62.12 H new ATOM 0 HB2 MET A 31 7.349 0.510 -6.261 1.00 11.31 H new ATOM 0 HB3 MET A 31 7.085 -0.904 -7.261 1.00 11.31 H new ATOM 0 HG2 MET A 31 9.490 -1.395 -7.265 1.00 71.34 H new ATOM 0 HG3 MET A 31 9.816 0.069 -6.358 1.00 71.34 H new ATOM 0 HE1 MET A 31 8.855 -0.323 -2.968 1.00 23.23 H new ATOM 0 HE2 MET A 31 8.442 0.661 -4.392 1.00 23.23 H new ATOM 0 HE3 MET A 31 7.225 -0.422 -3.676 1.00 23.23 H new ATOM 508 N GLY A 32 6.165 2.298 -8.699 1.00 5.31 N ATOM 509 CA GLY A 32 4.883 2.715 -9.237 1.00 14.41 C ATOM 510 C GLY A 32 3.916 3.145 -8.154 1.00 23.24 C ATOM 511 O GLY A 32 2.838 3.670 -8.440 1.00 13.41 O ATOM 0 H GLY A 32 6.656 3.013 -8.162 1.00 5.31 H new ATOM 0 HA2 GLY A 32 5.035 3.540 -9.933 1.00 14.41 H new ATOM 0 HA3 GLY A 32 4.446 1.894 -9.806 1.00 14.41 H new ATOM 515 N ILE A 33 4.304 2.931 -6.905 1.00 63.34 N ATOM 516 CA ILE A 33 3.462 3.295 -5.779 1.00 35.30 C ATOM 517 C ILE A 33 3.639 4.774 -5.449 1.00 34.43 C ATOM 518 O ILE A 33 4.590 5.168 -4.776 1.00 32.02 O ATOM 519 CB ILE A 33 3.750 2.443 -4.514 1.00 60.14 C ATOM 520 CG1 ILE A 33 3.514 0.951 -4.776 1.00 11.31 C ATOM 521 CG2 ILE A 33 2.879 2.903 -3.354 1.00 51.55 C ATOM 522 CD1 ILE A 33 4.646 0.264 -5.509 1.00 22.31 C ATOM 0 H ILE A 33 5.196 2.508 -6.648 1.00 63.34 H new ATOM 0 HA ILE A 33 2.433 3.097 -6.078 1.00 35.30 H new ATOM 0 HB ILE A 33 4.800 2.583 -4.257 1.00 60.14 H new ATOM 0 HG12 ILE A 33 3.354 0.447 -3.823 1.00 11.31 H new ATOM 0 HG13 ILE A 33 2.598 0.836 -5.355 1.00 11.31 H new ATOM 0 HG21 ILE A 33 3.093 2.295 -2.475 1.00 51.55 H new ATOM 0 HG22 ILE A 33 3.091 3.949 -3.133 1.00 51.55 H new ATOM 0 HG23 ILE A 33 1.828 2.795 -3.623 1.00 51.55 H new ATOM 0 HD11 ILE A 33 4.400 -0.788 -5.654 1.00 22.31 H new ATOM 0 HD12 ILE A 33 4.793 0.740 -6.479 1.00 22.31 H new ATOM 0 HD13 ILE A 33 5.561 0.345 -4.923 1.00 22.31 H new ATOM 534 N THR A 34 2.740 5.588 -5.970 1.00 14.32 N ATOM 535 CA THR A 34 2.751 7.014 -5.707 1.00 4.55 C ATOM 536 C THR A 34 1.466 7.426 -5.004 1.00 21.34 C ATOM 537 O THR A 34 0.474 6.696 -5.039 1.00 32.35 O ATOM 538 CB THR A 34 2.916 7.811 -7.015 1.00 21.13 C ATOM 539 OG1 THR A 34 2.002 7.322 -8.008 1.00 53.24 O ATOM 540 CG2 THR A 34 4.340 7.705 -7.538 1.00 5.40 C ATOM 0 H THR A 34 1.986 5.281 -6.584 1.00 14.32 H new ATOM 0 HA THR A 34 3.599 7.236 -5.060 1.00 4.55 H new ATOM 0 HB THR A 34 2.699 8.858 -6.804 1.00 21.13 H new ATOM 0 HG1 THR A 34 1.147 7.099 -7.584 1.00 53.24 H new ATOM 0 HG21 THR A 34 4.432 8.276 -8.462 1.00 5.40 H new ATOM 0 HG22 THR A 34 5.031 8.104 -6.795 1.00 5.40 H new ATOM 0 HG23 THR A 34 4.579 6.659 -7.732 1.00 5.40 H new ATOM 548 N ARG A 35 1.478 8.584 -4.362 1.00 63.43 N ATOM 549 CA ARG A 35 0.305 9.055 -3.642 1.00 65.25 C ATOM 550 C ARG A 35 -0.847 9.316 -4.608 1.00 73.21 C ATOM 551 O ARG A 35 -0.639 9.794 -5.728 1.00 0.44 O ATOM 552 CB ARG A 35 0.631 10.313 -2.835 1.00 23.11 C ATOM 553 CG ARG A 35 1.087 11.491 -3.677 1.00 14.44 C ATOM 554 CD ARG A 35 1.350 12.715 -2.819 1.00 61.23 C ATOM 555 NE ARG A 35 1.645 13.892 -3.633 1.00 62.44 N ATOM 556 CZ ARG A 35 1.040 15.070 -3.483 1.00 41.41 C ATOM 557 NH1 ARG A 35 0.130 15.243 -2.527 1.00 71.42 N ATOM 558 NH2 ARG A 35 1.346 16.075 -4.292 1.00 72.13 N ATOM 0 H ARG A 35 2.281 9.211 -4.325 1.00 63.43 H new ATOM 0 HA ARG A 35 -0.003 8.276 -2.944 1.00 65.25 H new ATOM 0 HB2 ARG A 35 -0.252 10.606 -2.268 1.00 23.11 H new ATOM 0 HB3 ARG A 35 1.410 10.075 -2.111 1.00 23.11 H new ATOM 0 HG2 ARG A 35 1.994 11.223 -4.220 1.00 14.44 H new ATOM 0 HG3 ARG A 35 0.326 11.724 -4.422 1.00 14.44 H new ATOM 0 HD2 ARG A 35 0.480 12.914 -2.193 1.00 61.23 H new ATOM 0 HD3 ARG A 35 2.187 12.517 -2.149 1.00 61.23 H new ATOM 0 HE ARG A 35 2.356 13.807 -4.359 1.00 62.44 H new ATOM 0 HH11 ARG A 35 -0.108 14.471 -1.904 1.00 71.42 H new ATOM 0 HH12 ARG A 35 -0.329 16.147 -2.418 1.00 71.42 H new ATOM 0 HH21 ARG A 35 2.042 15.945 -5.026 1.00 72.13 H new ATOM 0 HH22 ARG A 35 0.885 16.978 -4.180 1.00 72.13 H new ATOM 572 N GLY A 36 -2.051 8.975 -4.184 1.00 24.00 N ATOM 573 CA GLY A 36 -3.214 9.146 -5.030 1.00 64.11 C ATOM 574 C GLY A 36 -3.562 7.888 -5.798 1.00 34.02 C ATOM 575 O GLY A 36 -4.624 7.805 -6.416 1.00 63.44 O ATOM 0 H GLY A 36 -2.246 8.580 -3.264 1.00 24.00 H new ATOM 0 HA2 GLY A 36 -4.065 9.441 -4.417 1.00 64.11 H new ATOM 0 HA3 GLY A 36 -3.031 9.959 -5.733 1.00 64.11 H new ATOM 579 N CYS A 37 -2.667 6.911 -5.768 1.00 3.34 N ATOM 580 CA CYS A 37 -2.894 5.649 -6.455 1.00 45.35 C ATOM 581 C CYS A 37 -3.581 4.649 -5.537 1.00 42.04 C ATOM 582 O CYS A 37 -3.319 4.613 -4.331 1.00 33.41 O ATOM 583 CB CYS A 37 -1.573 5.076 -6.960 1.00 64.13 C ATOM 584 SG CYS A 37 -0.726 6.135 -8.151 1.00 21.24 S ATOM 0 H CYS A 37 -1.776 6.969 -5.275 1.00 3.34 H new ATOM 0 HA CYS A 37 -3.547 5.838 -7.307 1.00 45.35 H new ATOM 0 HB2 CYS A 37 -0.914 4.903 -6.109 1.00 64.13 H new ATOM 0 HB3 CYS A 37 -1.761 4.106 -7.420 1.00 64.13 H new ATOM 0 HG CYS A 37 -1.261 5.982 -9.326 1.00 21.24 H new ATOM 590 N GLU A 38 -4.463 3.852 -6.117 1.00 54.52 N ATOM 591 CA GLU A 38 -5.225 2.866 -5.373 1.00 62.20 C ATOM 592 C GLU A 38 -4.427 1.577 -5.221 1.00 33.45 C ATOM 593 O GLU A 38 -3.888 1.046 -6.196 1.00 73.50 O ATOM 594 CB GLU A 38 -6.555 2.565 -6.077 1.00 64.41 C ATOM 595 CG GLU A 38 -7.162 3.756 -6.809 1.00 31.15 C ATOM 596 CD GLU A 38 -6.677 3.867 -8.245 1.00 13.55 C ATOM 597 OE1 GLU A 38 -5.564 4.390 -8.472 1.00 33.23 O ATOM 598 OE2 GLU A 38 -7.406 3.420 -9.156 1.00 32.05 O ATOM 0 H GLU A 38 -4.670 3.871 -7.116 1.00 54.52 H new ATOM 0 HA GLU A 38 -5.431 3.277 -4.385 1.00 62.20 H new ATOM 0 HB2 GLU A 38 -6.400 1.756 -6.791 1.00 64.41 H new ATOM 0 HB3 GLU A 38 -7.270 2.205 -5.338 1.00 64.41 H new ATOM 0 HG2 GLU A 38 -8.248 3.667 -6.802 1.00 31.15 H new ATOM 0 HG3 GLU A 38 -6.914 4.672 -6.273 1.00 31.15 H new ATOM 606 N ILE A 39 -4.363 1.080 -4.002 1.00 75.21 N ATOM 607 CA ILE A 39 -3.663 -0.151 -3.703 1.00 15.23 C ATOM 608 C ILE A 39 -4.625 -1.164 -3.101 1.00 32.33 C ATOM 609 O ILE A 39 -5.174 -0.949 -2.022 1.00 2.44 O ATOM 610 CB ILE A 39 -2.504 0.079 -2.712 1.00 21.50 C ATOM 611 CG1 ILE A 39 -1.476 1.049 -3.299 1.00 33.40 C ATOM 612 CG2 ILE A 39 -1.847 -1.243 -2.346 1.00 0.21 C ATOM 613 CD1 ILE A 39 -0.271 1.266 -2.411 1.00 1.53 C ATOM 0 H ILE A 39 -4.796 1.520 -3.190 1.00 75.21 H new ATOM 0 HA ILE A 39 -3.252 -0.527 -4.640 1.00 15.23 H new ATOM 0 HB ILE A 39 -2.911 0.524 -1.804 1.00 21.50 H new ATOM 0 HG12 ILE A 39 -1.141 0.670 -4.265 1.00 33.40 H new ATOM 0 HG13 ILE A 39 -1.959 2.009 -3.483 1.00 33.40 H new ATOM 0 HG21 ILE A 39 -1.031 -1.062 -1.646 1.00 0.21 H new ATOM 0 HG22 ILE A 39 -2.584 -1.900 -1.883 1.00 0.21 H new ATOM 0 HG23 ILE A 39 -1.455 -1.716 -3.246 1.00 0.21 H new ATOM 0 HD11 ILE A 39 0.414 1.965 -2.892 1.00 1.53 H new ATOM 0 HD12 ILE A 39 -0.594 1.675 -1.453 1.00 1.53 H new ATOM 0 HD13 ILE A 39 0.236 0.315 -2.247 1.00 1.53 H new ATOM 625 N TYR A 40 -4.851 -2.252 -3.807 1.00 61.33 N ATOM 626 CA TYR A 40 -5.665 -3.332 -3.279 1.00 62.21 C ATOM 627 C TYR A 40 -4.775 -4.372 -2.613 1.00 2.10 C ATOM 628 O TYR A 40 -3.873 -4.919 -3.249 1.00 33.42 O ATOM 629 CB TYR A 40 -6.500 -3.978 -4.391 1.00 60.44 C ATOM 630 CG TYR A 40 -7.318 -5.165 -3.925 1.00 70.43 C ATOM 631 CD1 TYR A 40 -8.465 -4.987 -3.161 1.00 5.15 C ATOM 632 CD2 TYR A 40 -6.938 -6.463 -4.242 1.00 73.15 C ATOM 633 CE1 TYR A 40 -9.209 -6.069 -2.727 1.00 3.24 C ATOM 634 CE2 TYR A 40 -7.674 -7.550 -3.809 1.00 51.31 C ATOM 635 CZ TYR A 40 -8.810 -7.348 -3.053 1.00 14.03 C ATOM 636 OH TYR A 40 -9.541 -8.430 -2.614 1.00 33.02 O ATOM 0 H TYR A 40 -4.485 -2.414 -4.745 1.00 61.33 H new ATOM 0 HA TYR A 40 -6.349 -2.921 -2.537 1.00 62.21 H new ATOM 0 HB2 TYR A 40 -7.170 -3.229 -4.812 1.00 60.44 H new ATOM 0 HB3 TYR A 40 -5.835 -4.298 -5.193 1.00 60.44 H new ATOM 0 HD1 TYR A 40 -8.781 -3.987 -2.902 1.00 5.15 H new ATOM 0 HD2 TYR A 40 -6.052 -6.626 -4.837 1.00 73.15 H new ATOM 0 HE1 TYR A 40 -10.099 -5.913 -2.135 1.00 3.24 H new ATOM 0 HE2 TYR A 40 -7.361 -8.552 -4.061 1.00 51.31 H new ATOM 0 HH TYR A 40 -9.124 -9.258 -2.933 1.00 33.02 H new ATOM 646 N ILE A 41 -5.012 -4.624 -1.331 1.00 42.35 N ATOM 647 CA ILE A 41 -4.269 -5.649 -0.613 1.00 31.43 C ATOM 648 C ILE A 41 -4.787 -7.017 -1.036 1.00 60.31 C ATOM 649 O ILE A 41 -5.858 -7.448 -0.597 1.00 73.42 O ATOM 650 CB ILE A 41 -4.399 -5.504 0.917 1.00 43.50 C ATOM 651 CG1 ILE A 41 -4.163 -4.050 1.347 1.00 44.00 C ATOM 652 CG2 ILE A 41 -3.408 -6.429 1.618 1.00 44.15 C ATOM 653 CD1 ILE A 41 -2.779 -3.533 1.015 1.00 60.01 C ATOM 0 H ILE A 41 -5.710 -4.134 -0.771 1.00 42.35 H new ATOM 0 HA ILE A 41 -3.214 -5.536 -0.862 1.00 31.43 H new ATOM 0 HB ILE A 41 -5.412 -5.786 1.205 1.00 43.50 H new ATOM 0 HG12 ILE A 41 -4.904 -3.413 0.864 1.00 44.00 H new ATOM 0 HG13 ILE A 41 -4.323 -3.968 2.422 1.00 44.00 H new ATOM 0 HG21 ILE A 41 -3.508 -6.319 2.698 1.00 44.15 H new ATOM 0 HG22 ILE A 41 -3.614 -7.462 1.338 1.00 44.15 H new ATOM 0 HG23 ILE A 41 -2.393 -6.168 1.319 1.00 44.15 H new ATOM 0 HD11 ILE A 41 -2.687 -2.499 1.349 1.00 60.01 H new ATOM 0 HD12 ILE A 41 -2.031 -4.145 1.519 1.00 60.01 H new ATOM 0 HD13 ILE A 41 -2.621 -3.582 -0.062 1.00 60.01 H new ATOM 665 N ARG A 42 -4.037 -7.681 -1.901 1.00 53.44 N ATOM 666 CA ARG A 42 -4.503 -8.901 -2.537 1.00 62.01 C ATOM 667 C ARG A 42 -4.136 -10.126 -1.706 1.00 3.04 C ATOM 668 O ARG A 42 -5.005 -10.925 -1.353 1.00 20.02 O ATOM 669 CB ARG A 42 -3.908 -8.997 -3.946 1.00 51.15 C ATOM 670 CG ARG A 42 -4.598 -9.999 -4.856 1.00 1.42 C ATOM 671 CD ARG A 42 -3.603 -10.977 -5.453 1.00 51.54 C ATOM 672 NE ARG A 42 -4.071 -11.522 -6.727 1.00 41.53 N ATOM 673 CZ ARG A 42 -3.260 -11.992 -7.673 1.00 44.35 C ATOM 674 NH1 ARG A 42 -1.960 -12.094 -7.436 1.00 44.02 N ATOM 675 NH2 ARG A 42 -3.751 -12.383 -8.840 1.00 74.02 N ATOM 0 H ARG A 42 -3.099 -7.393 -2.179 1.00 53.44 H new ATOM 0 HA ARG A 42 -5.590 -8.871 -2.609 1.00 62.01 H new ATOM 0 HB2 ARG A 42 -3.951 -8.013 -4.412 1.00 51.15 H new ATOM 0 HB3 ARG A 42 -2.855 -9.265 -3.864 1.00 51.15 H new ATOM 0 HG2 ARG A 42 -5.354 -10.545 -4.292 1.00 1.42 H new ATOM 0 HG3 ARG A 42 -5.116 -9.470 -5.656 1.00 1.42 H new ATOM 0 HD2 ARG A 42 -2.646 -10.476 -5.602 1.00 51.54 H new ATOM 0 HD3 ARG A 42 -3.430 -11.793 -4.751 1.00 51.54 H new ATOM 0 HE ARG A 42 -5.076 -11.543 -6.901 1.00 41.53 H new ATOM 0 HH11 ARG A 42 -1.583 -11.813 -6.531 1.00 44.02 H new ATOM 0 HH12 ARG A 42 -1.337 -12.454 -8.159 1.00 44.02 H new ATOM 0 HH21 ARG A 42 -4.754 -12.325 -9.017 1.00 74.02 H new ATOM 0 HH22 ARG A 42 -3.126 -12.742 -9.562 1.00 74.02 H new ATOM 689 N LYS A 43 -2.852 -10.267 -1.389 1.00 14.53 N ATOM 690 CA LYS A 43 -2.372 -11.416 -0.625 1.00 20.04 C ATOM 691 C LYS A 43 -1.361 -10.991 0.435 1.00 14.43 C ATOM 692 O LYS A 43 -0.524 -10.122 0.194 1.00 1.22 O ATOM 693 CB LYS A 43 -1.709 -12.449 -1.546 1.00 24.45 C ATOM 694 CG LYS A 43 -2.624 -13.059 -2.596 1.00 74.44 C ATOM 695 CD LYS A 43 -3.754 -13.873 -1.982 1.00 55.33 C ATOM 696 CE LYS A 43 -4.468 -14.703 -3.039 1.00 41.31 C ATOM 697 NZ LYS A 43 -5.643 -15.427 -2.490 1.00 74.21 N ATOM 0 H LYS A 43 -2.125 -9.601 -1.649 1.00 14.53 H new ATOM 0 HA LYS A 43 -3.241 -11.860 -0.140 1.00 20.04 H new ATOM 0 HB2 LYS A 43 -0.867 -11.975 -2.051 1.00 24.45 H new ATOM 0 HB3 LYS A 43 -1.301 -13.252 -0.932 1.00 24.45 H new ATOM 0 HG2 LYS A 43 -3.046 -12.264 -3.212 1.00 74.44 H new ATOM 0 HG3 LYS A 43 -2.038 -13.698 -3.257 1.00 74.44 H new ATOM 0 HD2 LYS A 43 -3.355 -14.529 -1.208 1.00 55.33 H new ATOM 0 HD3 LYS A 43 -4.466 -13.205 -1.497 1.00 55.33 H new ATOM 0 HE2 LYS A 43 -4.792 -14.052 -3.851 1.00 41.31 H new ATOM 0 HE3 LYS A 43 -3.769 -15.422 -3.467 1.00 41.31 H new ATOM 0 HZ1 LYS A 43 -6.096 -15.978 -3.247 1.00 74.21 H new ATOM 0 HZ2 LYS A 43 -5.333 -16.069 -1.733 1.00 74.21 H new ATOM 0 HZ3 LYS A 43 -6.324 -14.742 -2.105 1.00 74.21 H new ATOM 711 N VAL A 44 -1.450 -11.606 1.604 1.00 12.24 N ATOM 712 CA VAL A 44 -0.437 -11.451 2.640 1.00 63.23 C ATOM 713 C VAL A 44 0.190 -12.809 2.924 1.00 65.02 C ATOM 714 O VAL A 44 -0.496 -13.736 3.361 1.00 61.42 O ATOM 715 CB VAL A 44 -1.013 -10.865 3.951 1.00 24.31 C ATOM 716 CG1 VAL A 44 0.082 -10.699 4.998 1.00 33.32 C ATOM 717 CG2 VAL A 44 -1.704 -9.535 3.688 1.00 3.10 C ATOM 0 H VAL A 44 -2.220 -12.223 1.862 1.00 12.24 H new ATOM 0 HA VAL A 44 0.309 -10.746 2.273 1.00 63.23 H new ATOM 0 HB VAL A 44 -1.752 -11.566 4.338 1.00 24.31 H new ATOM 0 HG11 VAL A 44 -0.347 -10.286 5.911 1.00 33.32 H new ATOM 0 HG12 VAL A 44 0.529 -11.669 5.214 1.00 33.32 H new ATOM 0 HG13 VAL A 44 0.848 -10.023 4.619 1.00 33.32 H new ATOM 0 HG21 VAL A 44 -2.102 -9.140 4.623 1.00 3.10 H new ATOM 0 HG22 VAL A 44 -0.986 -8.828 3.272 1.00 3.10 H new ATOM 0 HG23 VAL A 44 -2.520 -9.682 2.980 1.00 3.10 H new ATOM 727 N ALA A 45 1.482 -12.933 2.648 1.00 43.21 N ATOM 728 CA ALA A 45 2.171 -14.207 2.801 1.00 43.33 C ATOM 729 C ALA A 45 2.200 -14.647 4.262 1.00 55.13 C ATOM 730 O ALA A 45 2.344 -13.816 5.164 1.00 52.20 O ATOM 731 CB ALA A 45 3.583 -14.112 2.245 1.00 23.41 C ATOM 0 H ALA A 45 2.072 -12.169 2.318 1.00 43.21 H new ATOM 0 HA ALA A 45 1.621 -14.960 2.237 1.00 43.33 H new ATOM 0 HB1 ALA A 45 4.087 -15.071 2.366 1.00 23.41 H new ATOM 0 HB2 ALA A 45 3.541 -13.855 1.187 1.00 23.41 H new ATOM 0 HB3 ALA A 45 4.135 -13.342 2.784 1.00 23.41 H new ATOM 737 N PRO A 46 2.069 -15.964 4.509 1.00 73.11 N ATOM 738 CA PRO A 46 2.108 -16.531 5.859 1.00 21.55 C ATOM 739 C PRO A 46 3.507 -16.469 6.453 1.00 61.51 C ATOM 740 O PRO A 46 4.251 -17.450 6.439 1.00 24.54 O ATOM 741 CB PRO A 46 1.667 -17.992 5.670 1.00 41.32 C ATOM 742 CG PRO A 46 1.147 -18.077 4.273 1.00 64.12 C ATOM 743 CD PRO A 46 1.861 -17.006 3.497 1.00 25.44 C ATOM 0 HA PRO A 46 1.469 -15.980 6.549 1.00 21.55 H new ATOM 0 HB2 PRO A 46 2.502 -18.676 5.820 1.00 41.32 H new ATOM 0 HB3 PRO A 46 0.898 -18.266 6.392 1.00 41.32 H new ATOM 0 HG2 PRO A 46 1.338 -19.061 3.845 1.00 64.12 H new ATOM 0 HG3 PRO A 46 0.068 -17.923 4.249 1.00 64.12 H new ATOM 0 HD2 PRO A 46 2.804 -17.365 3.084 1.00 25.44 H new ATOM 0 HD3 PRO A 46 1.263 -16.645 2.660 1.00 25.44 H new ATOM 751 N LEU A 47 3.857 -15.291 6.941 1.00 72.13 N ATOM 752 CA LEU A 47 5.179 -15.015 7.483 1.00 51.10 C ATOM 753 C LEU A 47 5.204 -13.572 7.962 1.00 5.44 C ATOM 754 O LEU A 47 5.738 -13.257 9.024 1.00 4.55 O ATOM 755 CB LEU A 47 6.256 -15.250 6.406 1.00 75.34 C ATOM 756 CG LEU A 47 7.715 -15.211 6.876 1.00 71.04 C ATOM 757 CD1 LEU A 47 8.600 -15.947 5.883 1.00 34.31 C ATOM 758 CD2 LEU A 47 8.209 -13.779 7.035 1.00 30.34 C ATOM 0 H LEU A 47 3.226 -14.490 6.973 1.00 72.13 H new ATOM 0 HA LEU A 47 5.392 -15.684 8.317 1.00 51.10 H new ATOM 0 HB2 LEU A 47 6.072 -16.221 5.946 1.00 75.34 H new ATOM 0 HB3 LEU A 47 6.129 -14.499 5.627 1.00 75.34 H new ATOM 0 HG LEU A 47 7.766 -15.701 7.849 1.00 71.04 H new ATOM 0 HD11 LEU A 47 9.635 -15.915 6.224 1.00 34.31 H new ATOM 0 HD12 LEU A 47 8.276 -16.985 5.806 1.00 34.31 H new ATOM 0 HD13 LEU A 47 8.525 -15.470 4.906 1.00 34.31 H new ATOM 0 HD21 LEU A 47 9.246 -13.787 7.369 1.00 30.34 H new ATOM 0 HD22 LEU A 47 8.140 -13.262 6.078 1.00 30.34 H new ATOM 0 HD23 LEU A 47 7.594 -13.262 7.772 1.00 30.34 H new ATOM 770 N GLY A 48 4.596 -12.706 7.165 1.00 72.42 N ATOM 771 CA GLY A 48 4.554 -11.297 7.479 1.00 20.24 C ATOM 772 C GLY A 48 4.894 -10.456 6.271 1.00 54.42 C ATOM 773 O GLY A 48 4.408 -9.331 6.127 1.00 11.14 O ATOM 0 H GLY A 48 4.126 -12.961 6.296 1.00 72.42 H new ATOM 0 HA2 GLY A 48 3.561 -11.032 7.841 1.00 20.24 H new ATOM 0 HA3 GLY A 48 5.255 -11.081 8.285 1.00 20.24 H new ATOM 777 N ASP A 49 5.729 -11.010 5.403 1.00 34.15 N ATOM 778 CA ASP A 49 6.093 -10.363 4.151 1.00 11.33 C ATOM 779 C ASP A 49 6.364 -11.427 3.089 1.00 70.54 C ATOM 780 O ASP A 49 6.650 -12.578 3.422 1.00 2.52 O ATOM 781 CB ASP A 49 7.326 -9.461 4.331 1.00 32.43 C ATOM 782 CG ASP A 49 8.628 -10.235 4.423 1.00 53.51 C ATOM 783 OD1 ASP A 49 8.890 -10.852 5.474 1.00 43.53 O ATOM 784 OD2 ASP A 49 9.415 -10.201 3.451 1.00 42.22 O ATOM 0 H ASP A 49 6.172 -11.918 5.546 1.00 34.15 H new ATOM 0 HA ASP A 49 5.264 -9.732 3.830 1.00 11.33 H new ATOM 0 HB2 ASP A 49 7.384 -8.765 3.494 1.00 32.43 H new ATOM 0 HB3 ASP A 49 7.202 -8.864 5.234 1.00 32.43 H new ATOM 790 N PRO A 50 6.259 -11.068 1.801 1.00 4.40 N ATOM 791 CA PRO A 50 5.883 -9.725 1.368 1.00 71.33 C ATOM 792 C PRO A 50 4.369 -9.529 1.284 1.00 13.24 C ATOM 793 O PRO A 50 3.596 -10.482 1.403 1.00 33.03 O ATOM 794 CB PRO A 50 6.509 -9.649 -0.021 1.00 21.32 C ATOM 795 CG PRO A 50 6.411 -11.042 -0.546 1.00 12.33 C ATOM 796 CD PRO A 50 6.514 -11.957 0.650 1.00 1.04 C ATOM 0 HA PRO A 50 6.218 -8.955 2.063 1.00 71.33 H new ATOM 0 HB2 PRO A 50 5.976 -8.945 -0.660 1.00 21.32 H new ATOM 0 HB3 PRO A 50 7.545 -9.314 0.027 1.00 21.32 H new ATOM 0 HG2 PRO A 50 5.468 -11.194 -1.071 1.00 12.33 H new ATOM 0 HG3 PRO A 50 7.209 -11.245 -1.260 1.00 12.33 H new ATOM 0 HD2 PRO A 50 5.783 -12.764 0.599 1.00 1.04 H new ATOM 0 HD3 PRO A 50 7.498 -12.421 0.714 1.00 1.04 H new ATOM 804 N ILE A 51 3.961 -8.285 1.093 1.00 60.23 N ATOM 805 CA ILE A 51 2.565 -7.951 0.889 1.00 25.55 C ATOM 806 C ILE A 51 2.297 -7.848 -0.608 1.00 51.13 C ATOM 807 O ILE A 51 2.881 -7.002 -1.289 1.00 74.14 O ATOM 808 CB ILE A 51 2.195 -6.605 1.556 1.00 64.55 C ATOM 809 CG1 ILE A 51 2.720 -6.537 2.998 1.00 72.30 C ATOM 810 CG2 ILE A 51 0.686 -6.397 1.532 1.00 53.03 C ATOM 811 CD1 ILE A 51 2.171 -7.613 3.909 1.00 23.02 C ATOM 0 H ILE A 51 4.589 -7.481 1.075 1.00 60.23 H new ATOM 0 HA ILE A 51 1.958 -8.734 1.343 1.00 25.55 H new ATOM 0 HB ILE A 51 2.670 -5.806 0.986 1.00 64.55 H new ATOM 0 HG12 ILE A 51 3.807 -6.611 2.981 1.00 72.30 H new ATOM 0 HG13 ILE A 51 2.474 -5.561 3.417 1.00 72.30 H new ATOM 0 HG21 ILE A 51 0.442 -5.446 2.005 1.00 53.03 H new ATOM 0 HG22 ILE A 51 0.336 -6.389 0.500 1.00 53.03 H new ATOM 0 HG23 ILE A 51 0.198 -7.207 2.074 1.00 53.03 H new ATOM 0 HD11 ILE A 51 2.591 -7.494 4.908 1.00 23.02 H new ATOM 0 HD12 ILE A 51 1.086 -7.528 3.960 1.00 23.02 H new ATOM 0 HD13 ILE A 51 2.440 -8.594 3.517 1.00 23.02 H new ATOM 823 N GLN A 52 1.444 -8.718 -1.122 1.00 44.02 N ATOM 824 CA GLN A 52 1.128 -8.707 -2.537 1.00 61.03 C ATOM 825 C GLN A 52 -0.051 -7.782 -2.796 1.00 5.52 C ATOM 826 O GLN A 52 -1.179 -8.047 -2.371 1.00 74.42 O ATOM 827 CB GLN A 52 0.833 -10.120 -3.038 1.00 64.45 C ATOM 828 CG GLN A 52 0.632 -10.201 -4.540 1.00 4.13 C ATOM 829 CD GLN A 52 0.477 -11.625 -5.022 1.00 24.15 C ATOM 830 OE1 GLN A 52 -0.631 -12.156 -5.071 1.00 45.33 O ATOM 831 NE2 GLN A 52 1.583 -12.245 -5.392 1.00 10.22 N ATOM 0 H GLN A 52 0.961 -9.437 -0.583 1.00 44.02 H new ATOM 0 HA GLN A 52 1.992 -8.334 -3.087 1.00 61.03 H new ATOM 0 HB2 GLN A 52 1.655 -10.777 -2.754 1.00 64.45 H new ATOM 0 HB3 GLN A 52 -0.061 -10.494 -2.539 1.00 64.45 H new ATOM 0 HG2 GLN A 52 -0.253 -9.628 -4.817 1.00 4.13 H new ATOM 0 HG3 GLN A 52 1.482 -9.740 -5.043 1.00 4.13 H new ATOM 0 HE21 GLN A 52 2.481 -11.764 -5.334 1.00 10.22 H new ATOM 0 HE22 GLN A 52 1.539 -13.204 -5.736 1.00 10.22 H new ATOM 840 N ILE A 53 0.223 -6.694 -3.492 1.00 60.41 N ATOM 841 CA ILE A 53 -0.761 -5.650 -3.699 1.00 41.40 C ATOM 842 C ILE A 53 -1.021 -5.416 -5.179 1.00 5.43 C ATOM 843 O ILE A 53 -0.219 -5.800 -6.034 1.00 43.24 O ATOM 844 CB ILE A 53 -0.295 -4.324 -3.064 1.00 25.31 C ATOM 845 CG1 ILE A 53 1.067 -3.915 -3.641 1.00 24.13 C ATOM 846 CG2 ILE A 53 -0.220 -4.454 -1.546 1.00 54.11 C ATOM 847 CD1 ILE A 53 1.582 -2.587 -3.130 1.00 65.50 C ATOM 0 H ILE A 53 1.127 -6.511 -3.927 1.00 60.41 H new ATOM 0 HA ILE A 53 -1.683 -5.984 -3.223 1.00 41.40 H new ATOM 0 HB ILE A 53 -1.022 -3.547 -3.302 1.00 25.31 H new ATOM 0 HG12 ILE A 53 1.796 -4.690 -3.406 1.00 24.13 H new ATOM 0 HG13 ILE A 53 0.990 -3.869 -4.727 1.00 24.13 H new ATOM 0 HG21 ILE A 53 0.111 -3.509 -1.116 1.00 54.11 H new ATOM 0 HG22 ILE A 53 -1.205 -4.707 -1.153 1.00 54.11 H new ATOM 0 HG23 ILE A 53 0.488 -5.240 -1.283 1.00 54.11 H new ATOM 0 HD11 ILE A 53 2.548 -2.372 -3.586 1.00 65.50 H new ATOM 0 HD12 ILE A 53 0.875 -1.799 -3.389 1.00 65.50 H new ATOM 0 HD13 ILE A 53 1.694 -2.633 -2.047 1.00 65.50 H new ATOM 859 N ASN A 54 -2.144 -4.786 -5.472 1.00 63.54 N ATOM 860 CA ASN A 54 -2.470 -4.393 -6.832 1.00 42.22 C ATOM 861 C ASN A 54 -2.430 -2.881 -6.961 1.00 64.03 C ATOM 862 O ASN A 54 -3.258 -2.177 -6.381 1.00 2.12 O ATOM 863 CB ASN A 54 -3.850 -4.919 -7.241 1.00 72.15 C ATOM 864 CG ASN A 54 -3.847 -6.405 -7.557 1.00 60.14 C ATOM 865 OD1 ASN A 54 -2.762 -6.888 -8.148 1.00 21.42 O flip ATOM 866 ND2 ASN A 54 -4.820 -7.111 -7.290 1.00 52.41 N flip ATOM 0 H ASN A 54 -2.851 -4.534 -4.781 1.00 63.54 H new ATOM 0 HA ASN A 54 -1.727 -4.830 -7.500 1.00 42.22 H new ATOM 0 HB2 ASN A 54 -4.560 -4.725 -6.437 1.00 72.15 H new ATOM 0 HB3 ASN A 54 -4.199 -4.368 -8.114 1.00 72.15 H new ATOM 0 HD21 ASN A 54 -5.637 -6.703 -6.835 1.00 52.41 H new ATOM 0 HD22 ASN A 54 -4.809 -8.104 -7.524 1.00 52.41 H new ATOM 873 N VAL A 55 -1.442 -2.387 -7.696 1.00 52.53 N ATOM 874 CA VAL A 55 -1.295 -0.959 -7.940 1.00 44.32 C ATOM 875 C VAL A 55 -1.220 -0.709 -9.437 1.00 22.15 C ATOM 876 O VAL A 55 -0.520 -1.441 -10.145 1.00 30.31 O ATOM 877 CB VAL A 55 -0.021 -0.391 -7.275 1.00 1.32 C ATOM 878 CG1 VAL A 55 0.038 1.127 -7.408 1.00 50.14 C ATOM 879 CG2 VAL A 55 0.057 -0.801 -5.816 1.00 44.14 C ATOM 0 H VAL A 55 -0.724 -2.962 -8.137 1.00 52.53 H new ATOM 0 HA VAL A 55 -2.160 -0.457 -7.507 1.00 44.32 H new ATOM 0 HB VAL A 55 0.840 -0.810 -7.795 1.00 1.32 H new ATOM 0 HG11 VAL A 55 0.945 1.499 -6.931 1.00 50.14 H new ATOM 0 HG12 VAL A 55 0.045 1.400 -8.463 1.00 50.14 H new ATOM 0 HG13 VAL A 55 -0.833 1.569 -6.925 1.00 50.14 H new ATOM 0 HG21 VAL A 55 0.962 -0.389 -5.370 1.00 44.14 H new ATOM 0 HG22 VAL A 55 -0.815 -0.421 -5.284 1.00 44.14 H new ATOM 0 HG23 VAL A 55 0.080 -1.888 -5.744 1.00 44.14 H new ATOM 889 N ARG A 56 -1.944 0.310 -9.909 1.00 42.04 N ATOM 890 CA ARG A 56 -2.012 0.652 -11.334 1.00 60.55 C ATOM 891 C ARG A 56 -2.739 -0.446 -12.109 1.00 33.33 C ATOM 892 O ARG A 56 -3.867 -0.263 -12.562 1.00 22.35 O ATOM 893 CB ARG A 56 -0.610 0.868 -11.923 1.00 50.21 C ATOM 894 CG ARG A 56 0.202 1.943 -11.218 1.00 41.02 C ATOM 895 CD ARG A 56 -0.389 3.326 -11.422 1.00 1.34 C ATOM 896 NE ARG A 56 0.383 4.346 -10.712 1.00 23.24 N ATOM 897 CZ ARG A 56 1.292 5.131 -11.289 1.00 3.15 C ATOM 898 NH1 ARG A 56 1.537 5.027 -12.588 1.00 13.55 N ATOM 899 NH2 ARG A 56 1.956 6.027 -10.572 1.00 2.25 N ATOM 0 H ARG A 56 -2.501 0.923 -9.313 1.00 42.04 H new ATOM 0 HA ARG A 56 -2.568 1.585 -11.427 1.00 60.55 H new ATOM 0 HB2 ARG A 56 -0.061 -0.073 -11.881 1.00 50.21 H new ATOM 0 HB3 ARG A 56 -0.707 1.133 -12.976 1.00 50.21 H new ATOM 0 HG2 ARG A 56 0.248 1.722 -10.152 1.00 41.02 H new ATOM 0 HG3 ARG A 56 1.226 1.927 -11.591 1.00 41.02 H new ATOM 0 HD2 ARG A 56 -0.412 3.560 -12.486 1.00 1.34 H new ATOM 0 HD3 ARG A 56 -1.421 3.338 -11.071 1.00 1.34 H new ATOM 0 HE ARG A 56 0.215 4.464 -9.713 1.00 23.24 H new ATOM 0 HH11 ARG A 56 1.029 4.344 -13.150 1.00 13.55 H new ATOM 0 HH12 ARG A 56 2.234 5.630 -13.025 1.00 13.55 H new ATOM 0 HH21 ARG A 56 1.772 6.118 -9.573 1.00 2.25 H new ATOM 0 HH22 ARG A 56 2.651 6.625 -11.020 1.00 2.25 H new ATOM 913 N GLY A 57 -2.079 -1.584 -12.242 1.00 42.44 N ATOM 914 CA GLY A 57 -2.662 -2.739 -12.887 1.00 0.03 C ATOM 915 C GLY A 57 -1.739 -3.931 -12.781 1.00 42.23 C ATOM 916 O GLY A 57 -1.830 -4.875 -13.564 1.00 53.11 O ATOM 0 H GLY A 57 -1.127 -1.729 -11.906 1.00 42.44 H new ATOM 0 HA2 GLY A 57 -3.622 -2.973 -12.426 1.00 0.03 H new ATOM 0 HA3 GLY A 57 -2.858 -2.516 -13.936 1.00 0.03 H new ATOM 920 N TYR A 58 -0.845 -3.883 -11.798 1.00 54.12 N ATOM 921 CA TYR A 58 0.185 -4.901 -11.639 1.00 14.24 C ATOM 922 C TYR A 58 0.069 -5.604 -10.296 1.00 45.31 C ATOM 923 O TYR A 58 -0.476 -5.050 -9.335 1.00 21.45 O ATOM 924 CB TYR A 58 1.583 -4.278 -11.735 1.00 1.12 C ATOM 925 CG TYR A 58 1.884 -3.592 -13.046 1.00 61.54 C ATOM 926 CD1 TYR A 58 1.599 -2.244 -13.227 1.00 31.33 C ATOM 927 CD2 TYR A 58 2.467 -4.286 -14.094 1.00 41.10 C ATOM 928 CE1 TYR A 58 1.885 -1.609 -14.420 1.00 53.13 C ATOM 929 CE2 TYR A 58 2.756 -3.660 -15.290 1.00 10.41 C ATOM 930 CZ TYR A 58 2.464 -2.322 -15.448 1.00 1.34 C ATOM 931 OH TYR A 58 2.753 -1.696 -16.639 1.00 2.53 O ATOM 0 H TYR A 58 -0.815 -3.144 -11.096 1.00 54.12 H new ATOM 0 HA TYR A 58 0.040 -5.625 -12.441 1.00 14.24 H new ATOM 0 HB2 TYR A 58 1.699 -3.555 -10.928 1.00 1.12 H new ATOM 0 HB3 TYR A 58 2.325 -5.059 -11.572 1.00 1.12 H new ATOM 0 HD1 TYR A 58 1.147 -1.684 -12.422 1.00 31.33 H new ATOM 0 HD2 TYR A 58 2.699 -5.334 -13.973 1.00 41.10 H new ATOM 0 HE1 TYR A 58 1.657 -0.561 -14.546 1.00 53.13 H new ATOM 0 HE2 TYR A 58 3.209 -4.216 -16.098 1.00 10.41 H new ATOM 0 HH TYR A 58 3.159 -2.340 -17.257 1.00 2.53 H new ATOM 941 N GLU A 59 0.571 -6.828 -10.242 1.00 75.11 N ATOM 942 CA GLU A 59 0.772 -7.523 -8.984 1.00 34.22 C ATOM 943 C GLU A 59 2.135 -7.134 -8.429 1.00 34.05 C ATOM 944 O GLU A 59 3.167 -7.500 -8.991 1.00 42.55 O ATOM 945 CB GLU A 59 0.714 -9.037 -9.187 1.00 12.02 C ATOM 946 CG GLU A 59 -0.574 -9.529 -9.828 1.00 14.12 C ATOM 947 CD GLU A 59 -0.494 -10.984 -10.248 1.00 50.41 C ATOM 948 OE1 GLU A 59 -0.158 -11.841 -9.402 1.00 34.20 O ATOM 949 OE2 GLU A 59 -0.781 -11.286 -11.422 1.00 41.44 O ATOM 0 H GLU A 59 0.848 -7.363 -11.065 1.00 75.11 H new ATOM 0 HA GLU A 59 -0.017 -7.242 -8.287 1.00 34.22 H new ATOM 0 HB2 GLU A 59 1.556 -9.342 -9.809 1.00 12.02 H new ATOM 0 HB3 GLU A 59 0.837 -9.527 -8.221 1.00 12.02 H new ATOM 0 HG2 GLU A 59 -1.398 -9.402 -9.125 1.00 14.12 H new ATOM 0 HG3 GLU A 59 -0.800 -8.914 -10.699 1.00 14.12 H new ATOM 957 N LEU A 60 2.141 -6.384 -7.348 1.00 65.33 N ATOM 958 CA LEU A 60 3.383 -5.878 -6.784 1.00 12.31 C ATOM 959 C LEU A 60 3.653 -6.496 -5.422 1.00 54.44 C ATOM 960 O LEU A 60 2.725 -6.854 -4.698 1.00 62.33 O ATOM 961 CB LEU A 60 3.336 -4.352 -6.666 1.00 51.32 C ATOM 962 CG LEU A 60 3.222 -3.603 -7.995 1.00 10.12 C ATOM 963 CD1 LEU A 60 3.099 -2.111 -7.751 1.00 71.01 C ATOM 964 CD2 LEU A 60 4.423 -3.892 -8.883 1.00 61.32 C ATOM 0 H LEU A 60 1.301 -6.109 -6.839 1.00 65.33 H new ATOM 0 HA LEU A 60 4.195 -6.156 -7.456 1.00 12.31 H new ATOM 0 HB2 LEU A 60 2.489 -4.077 -6.038 1.00 51.32 H new ATOM 0 HB3 LEU A 60 4.236 -4.015 -6.152 1.00 51.32 H new ATOM 0 HG LEU A 60 2.325 -3.952 -8.506 1.00 10.12 H new ATOM 0 HD11 LEU A 60 3.019 -1.592 -8.706 1.00 71.01 H new ATOM 0 HD12 LEU A 60 2.209 -1.912 -7.154 1.00 71.01 H new ATOM 0 HD13 LEU A 60 3.981 -1.756 -7.218 1.00 71.01 H new ATOM 0 HD21 LEU A 60 4.320 -3.349 -9.822 1.00 61.32 H new ATOM 0 HD22 LEU A 60 5.334 -3.573 -8.377 1.00 61.32 H new ATOM 0 HD23 LEU A 60 4.476 -4.962 -9.086 1.00 61.32 H new ATOM 976 N SER A 61 4.924 -6.627 -5.088 1.00 14.44 N ATOM 977 CA SER A 61 5.322 -7.174 -3.806 1.00 54.12 C ATOM 978 C SER A 61 6.016 -6.111 -2.959 1.00 11.10 C ATOM 979 O SER A 61 7.117 -5.658 -3.280 1.00 1.31 O ATOM 980 CB SER A 61 6.230 -8.387 -4.018 1.00 23.14 C ATOM 981 OG SER A 61 7.191 -8.135 -5.032 1.00 42.20 O ATOM 0 H SER A 61 5.702 -6.360 -5.692 1.00 14.44 H new ATOM 0 HA SER A 61 4.431 -7.498 -3.267 1.00 54.12 H new ATOM 0 HB2 SER A 61 6.737 -8.633 -3.085 1.00 23.14 H new ATOM 0 HB3 SER A 61 5.627 -9.253 -4.291 1.00 23.14 H new ATOM 0 HG SER A 61 7.596 -7.254 -4.887 1.00 42.20 H new ATOM 987 N LEU A 62 5.348 -5.693 -1.896 1.00 55.25 N ATOM 988 CA LEU A 62 5.909 -4.721 -0.967 1.00 50.40 C ATOM 989 C LEU A 62 6.296 -5.403 0.332 1.00 4.51 C ATOM 990 O LEU A 62 5.532 -6.196 0.874 1.00 11.42 O ATOM 991 CB LEU A 62 4.911 -3.592 -0.679 1.00 3.41 C ATOM 992 CG LEU A 62 5.163 -2.282 -1.435 1.00 0.41 C ATOM 993 CD1 LEU A 62 6.494 -1.673 -1.019 1.00 64.30 C ATOM 994 CD2 LEU A 62 5.131 -2.510 -2.939 1.00 34.10 C ATOM 0 H LEU A 62 4.411 -6.013 -1.653 1.00 55.25 H new ATOM 0 HA LEU A 62 6.796 -4.288 -1.429 1.00 50.40 H new ATOM 0 HB2 LEU A 62 3.909 -3.945 -0.922 1.00 3.41 H new ATOM 0 HB3 LEU A 62 4.924 -3.383 0.391 1.00 3.41 H new ATOM 0 HG LEU A 62 4.366 -1.584 -1.178 1.00 0.41 H new ATOM 0 HD11 LEU A 62 6.656 -0.744 -1.566 1.00 64.30 H new ATOM 0 HD12 LEU A 62 6.481 -1.467 0.051 1.00 64.30 H new ATOM 0 HD13 LEU A 62 7.300 -2.372 -1.244 1.00 64.30 H new ATOM 0 HD21 LEU A 62 5.312 -1.567 -3.454 1.00 34.10 H new ATOM 0 HD22 LEU A 62 5.903 -3.228 -3.215 1.00 34.10 H new ATOM 0 HD23 LEU A 62 4.154 -2.899 -3.227 1.00 34.10 H new ATOM 1006 N ARG A 63 7.484 -5.114 0.828 1.00 72.35 N ATOM 1007 CA ARG A 63 7.926 -5.693 2.083 1.00 73.31 C ATOM 1008 C ARG A 63 7.194 -5.041 3.243 1.00 40.22 C ATOM 1009 O ARG A 63 6.808 -3.874 3.162 1.00 5.22 O ATOM 1010 CB ARG A 63 9.432 -5.538 2.256 1.00 45.13 C ATOM 1011 CG ARG A 63 10.153 -6.864 2.382 1.00 54.01 C ATOM 1012 CD ARG A 63 9.963 -7.712 1.138 1.00 72.40 C ATOM 1013 NE ARG A 63 10.494 -9.059 1.309 1.00 42.01 N ATOM 1014 CZ ARG A 63 11.449 -9.583 0.547 1.00 4.11 C ATOM 1015 NH1 ARG A 63 11.970 -8.876 -0.452 1.00 4.22 N ATOM 1016 NH2 ARG A 63 11.882 -10.813 0.784 1.00 73.03 N ATOM 0 H ARG A 63 8.156 -4.487 0.386 1.00 72.35 H new ATOM 0 HA ARG A 63 7.695 -6.758 2.069 1.00 73.31 H new ATOM 0 HB2 ARG A 63 9.836 -4.991 1.404 1.00 45.13 H new ATOM 0 HB3 ARG A 63 9.630 -4.937 3.144 1.00 45.13 H new ATOM 0 HG2 ARG A 63 11.216 -6.689 2.547 1.00 54.01 H new ATOM 0 HG3 ARG A 63 9.780 -7.403 3.253 1.00 54.01 H new ATOM 0 HD2 ARG A 63 8.902 -7.769 0.896 1.00 72.40 H new ATOM 0 HD3 ARG A 63 10.457 -7.232 0.293 1.00 72.40 H new ATOM 0 HE ARG A 63 10.110 -9.634 2.059 1.00 42.01 H new ATOM 0 HH11 ARG A 63 11.637 -7.929 -0.635 1.00 4.22 H new ATOM 0 HH12 ARG A 63 12.703 -9.280 -1.035 1.00 4.22 H new ATOM 0 HH21 ARG A 63 11.483 -11.356 1.550 1.00 73.03 H new ATOM 0 HH22 ARG A 63 12.615 -11.217 0.201 1.00 73.03 H new ATOM 1030 N LYS A 64 7.007 -5.793 4.322 1.00 13.34 N ATOM 1031 CA LYS A 64 6.276 -5.295 5.479 1.00 43.11 C ATOM 1032 C LYS A 64 6.974 -4.072 6.062 1.00 34.01 C ATOM 1033 O LYS A 64 6.323 -3.171 6.580 1.00 62.42 O ATOM 1034 CB LYS A 64 6.109 -6.399 6.537 1.00 70.23 C ATOM 1035 CG LYS A 64 7.415 -6.969 7.088 1.00 55.10 C ATOM 1036 CD LYS A 64 7.916 -6.197 8.303 1.00 35.22 C ATOM 1037 CE LYS A 64 6.986 -6.367 9.493 1.00 2.23 C ATOM 1038 NZ LYS A 64 7.406 -5.539 10.653 1.00 20.44 N ATOM 0 H LYS A 64 7.351 -6.748 4.419 1.00 13.34 H new ATOM 0 HA LYS A 64 5.279 -4.994 5.156 1.00 43.11 H new ATOM 0 HB2 LYS A 64 5.525 -6.001 7.367 1.00 70.23 H new ATOM 0 HB3 LYS A 64 5.530 -7.213 6.102 1.00 70.23 H new ATOM 0 HG2 LYS A 64 7.267 -8.014 7.360 1.00 55.10 H new ATOM 0 HG3 LYS A 64 8.176 -6.948 6.308 1.00 55.10 H new ATOM 0 HD2 LYS A 64 8.915 -6.543 8.568 1.00 35.22 H new ATOM 0 HD3 LYS A 64 8.000 -5.139 8.054 1.00 35.22 H new ATOM 0 HE2 LYS A 64 5.972 -6.094 9.202 1.00 2.23 H new ATOM 0 HE3 LYS A 64 6.962 -7.416 9.787 1.00 2.23 H new ATOM 0 HZ1 LYS A 64 7.138 -6.018 11.536 1.00 20.44 H new ATOM 0 HZ2 LYS A 64 8.437 -5.407 10.630 1.00 20.44 H new ATOM 0 HZ3 LYS A 64 6.937 -4.612 10.606 1.00 20.44 H new ATOM 1052 N SER A 65 8.296 -4.046 5.943 1.00 24.34 N ATOM 1053 CA SER A 65 9.105 -2.942 6.437 1.00 41.21 C ATOM 1054 C SER A 65 8.736 -1.640 5.731 1.00 62.23 C ATOM 1055 O SER A 65 8.631 -0.588 6.362 1.00 12.33 O ATOM 1056 CB SER A 65 10.580 -3.262 6.211 1.00 72.14 C ATOM 1057 OG SER A 65 10.876 -4.582 6.636 1.00 51.23 O ATOM 0 H SER A 65 8.836 -4.790 5.501 1.00 24.34 H new ATOM 0 HA SER A 65 8.916 -2.813 7.503 1.00 41.21 H new ATOM 0 HB2 SER A 65 10.824 -3.151 5.154 1.00 72.14 H new ATOM 0 HB3 SER A 65 11.200 -2.551 6.757 1.00 72.14 H new ATOM 0 HG SER A 65 11.825 -4.770 6.482 1.00 51.23 H new ATOM 1063 N ALA A 66 8.554 -1.715 4.419 1.00 43.43 N ATOM 1064 CA ALA A 66 8.146 -0.560 3.639 1.00 41.13 C ATOM 1065 C ALA A 66 6.662 -0.274 3.843 1.00 32.24 C ATOM 1066 O ALA A 66 6.249 0.878 3.964 1.00 12.12 O ATOM 1067 CB ALA A 66 8.452 -0.779 2.163 1.00 45.15 C ATOM 0 H ALA A 66 8.684 -2.567 3.874 1.00 43.43 H new ATOM 0 HA ALA A 66 8.712 0.306 3.982 1.00 41.13 H new ATOM 0 HB1 ALA A 66 8.140 0.096 1.593 1.00 45.15 H new ATOM 0 HB2 ALA A 66 9.523 -0.934 2.033 1.00 45.15 H new ATOM 0 HB3 ALA A 66 7.912 -1.656 1.806 1.00 45.15 H new ATOM 1073 N ALA A 67 5.866 -1.335 3.901 1.00 34.12 N ATOM 1074 CA ALA A 67 4.420 -1.205 4.045 1.00 12.11 C ATOM 1075 C ALA A 67 4.047 -0.477 5.335 1.00 42.11 C ATOM 1076 O ALA A 67 3.101 0.309 5.360 1.00 72.21 O ATOM 1077 CB ALA A 67 3.760 -2.576 3.996 1.00 54.15 C ATOM 0 H ALA A 67 6.198 -2.298 3.850 1.00 34.12 H new ATOM 0 HA ALA A 67 4.054 -0.606 3.211 1.00 12.11 H new ATOM 0 HB1 ALA A 67 2.681 -2.465 4.105 1.00 54.15 H new ATOM 0 HB2 ALA A 67 3.981 -3.052 3.041 1.00 54.15 H new ATOM 0 HB3 ALA A 67 4.144 -3.194 4.807 1.00 54.15 H new ATOM 1083 N GLU A 68 4.806 -0.715 6.396 1.00 21.24 N ATOM 1084 CA GLU A 68 4.505 -0.118 7.694 1.00 72.33 C ATOM 1085 C GLU A 68 4.984 1.332 7.781 1.00 32.43 C ATOM 1086 O GLU A 68 4.885 1.962 8.833 1.00 52.50 O ATOM 1087 CB GLU A 68 5.123 -0.941 8.825 1.00 23.45 C ATOM 1088 CG GLU A 68 6.632 -1.083 8.730 1.00 64.24 C ATOM 1089 CD GLU A 68 7.211 -1.872 9.882 1.00 45.25 C ATOM 1090 OE1 GLU A 68 6.806 -3.039 10.073 1.00 34.23 O ATOM 1091 OE2 GLU A 68 8.076 -1.330 10.599 1.00 31.24 O ATOM 0 H GLU A 68 5.631 -1.314 6.386 1.00 21.24 H new ATOM 0 HA GLU A 68 3.420 -0.119 7.803 1.00 72.33 H new ATOM 0 HB2 GLU A 68 4.871 -0.477 9.778 1.00 23.45 H new ATOM 0 HB3 GLU A 68 4.674 -1.934 8.826 1.00 23.45 H new ATOM 0 HG2 GLU A 68 6.889 -1.574 7.791 1.00 64.24 H new ATOM 0 HG3 GLU A 68 7.087 -0.093 8.707 1.00 64.24 H new ATOM 1099 N MET A 69 5.506 1.859 6.683 1.00 2.34 N ATOM 1100 CA MET A 69 5.899 3.262 6.638 1.00 45.22 C ATOM 1101 C MET A 69 5.217 3.975 5.470 1.00 64.01 C ATOM 1102 O MET A 69 5.516 5.128 5.163 1.00 50.02 O ATOM 1103 CB MET A 69 7.425 3.402 6.567 1.00 74.33 C ATOM 1104 CG MET A 69 8.050 2.901 5.277 1.00 64.54 C ATOM 1105 SD MET A 69 9.830 2.645 5.430 1.00 14.34 S ATOM 1106 CE MET A 69 10.368 4.251 6.005 1.00 63.22 C ATOM 0 H MET A 69 5.667 1.343 5.818 1.00 2.34 H new ATOM 0 HA MET A 69 5.569 3.741 7.560 1.00 45.22 H new ATOM 0 HB2 MET A 69 7.686 4.452 6.697 1.00 74.33 H new ATOM 0 HB3 MET A 69 7.865 2.858 7.403 1.00 74.33 H new ATOM 0 HG2 MET A 69 7.575 1.964 4.986 1.00 64.54 H new ATOM 0 HG3 MET A 69 7.856 3.618 4.480 1.00 64.54 H new ATOM 0 HE1 MET A 69 11.354 4.472 5.597 1.00 63.22 H new ATOM 0 HE2 MET A 69 9.660 5.011 5.675 1.00 63.22 H new ATOM 0 HE3 MET A 69 10.418 4.250 7.094 1.00 63.22 H new ATOM 1116 N ILE A 70 4.284 3.286 4.827 1.00 54.44 N ATOM 1117 CA ILE A 70 3.465 3.895 3.790 1.00 23.14 C ATOM 1118 C ILE A 70 2.123 4.310 4.380 1.00 12.44 C ATOM 1119 O ILE A 70 1.373 3.467 4.858 1.00 30.10 O ATOM 1120 CB ILE A 70 3.223 2.933 2.604 1.00 10.12 C ATOM 1121 CG1 ILE A 70 4.551 2.551 1.944 1.00 54.41 C ATOM 1122 CG2 ILE A 70 2.282 3.562 1.585 1.00 42.13 C ATOM 1123 CD1 ILE A 70 4.403 1.556 0.814 1.00 14.12 C ATOM 0 H ILE A 70 4.076 2.304 5.006 1.00 54.44 H new ATOM 0 HA ILE A 70 4.002 4.765 3.413 1.00 23.14 H new ATOM 0 HB ILE A 70 2.755 2.027 2.988 1.00 10.12 H new ATOM 0 HG12 ILE A 70 5.030 3.453 1.562 1.00 54.41 H new ATOM 0 HG13 ILE A 70 5.216 2.133 2.700 1.00 54.41 H new ATOM 0 HG21 ILE A 70 2.125 2.869 0.759 1.00 42.13 H new ATOM 0 HG22 ILE A 70 1.326 3.783 2.060 1.00 42.13 H new ATOM 0 HG23 ILE A 70 2.721 4.485 1.206 1.00 42.13 H new ATOM 0 HD11 ILE A 70 5.384 1.333 0.395 1.00 14.12 H new ATOM 0 HD12 ILE A 70 3.953 0.639 1.194 1.00 14.12 H new ATOM 0 HD13 ILE A 70 3.765 1.979 0.038 1.00 14.12 H new ATOM 1135 N GLU A 71 1.835 5.604 4.363 1.00 11.35 N ATOM 1136 CA GLU A 71 0.592 6.120 4.926 1.00 23.43 C ATOM 1137 C GLU A 71 -0.529 5.976 3.906 1.00 52.15 C ATOM 1138 O GLU A 71 -0.439 6.512 2.795 1.00 63.43 O ATOM 1139 CB GLU A 71 0.764 7.592 5.303 1.00 23.31 C ATOM 1140 CG GLU A 71 -0.276 8.116 6.274 1.00 20.34 C ATOM 1141 CD GLU A 71 -0.043 7.617 7.682 1.00 31.43 C ATOM 1142 OE1 GLU A 71 1.105 7.742 8.166 1.00 63.25 O ATOM 1143 OE2 GLU A 71 -1.001 7.125 8.313 1.00 34.12 O ATOM 0 H GLU A 71 2.445 6.318 3.965 1.00 11.35 H new ATOM 0 HA GLU A 71 0.340 5.551 5.821 1.00 23.43 H new ATOM 0 HB2 GLU A 71 1.753 7.729 5.740 1.00 23.31 H new ATOM 0 HB3 GLU A 71 0.731 8.193 4.395 1.00 23.31 H new ATOM 0 HG2 GLU A 71 -0.259 9.206 6.269 1.00 20.34 H new ATOM 0 HG3 GLU A 71 -1.268 7.811 5.941 1.00 20.34 H new ATOM 1151 N VAL A 72 -1.579 5.255 4.271 1.00 72.10 N ATOM 1152 CA VAL A 72 -2.665 4.990 3.342 1.00 42.31 C ATOM 1153 C VAL A 72 -4.018 5.410 3.907 1.00 32.41 C ATOM 1154 O VAL A 72 -4.160 5.675 5.101 1.00 73.44 O ATOM 1155 CB VAL A 72 -2.727 3.502 2.941 1.00 1.32 C ATOM 1156 CG1 VAL A 72 -1.480 3.103 2.168 1.00 25.30 C ATOM 1157 CG2 VAL A 72 -2.906 2.617 4.164 1.00 35.32 C ATOM 0 H VAL A 72 -1.701 4.846 5.197 1.00 72.10 H new ATOM 0 HA VAL A 72 -2.452 5.589 2.457 1.00 42.31 H new ATOM 0 HB VAL A 72 -3.592 3.362 2.293 1.00 1.32 H new ATOM 0 HG11 VAL A 72 -1.543 2.050 1.894 1.00 25.30 H new ATOM 0 HG12 VAL A 72 -1.402 3.709 1.265 1.00 25.30 H new ATOM 0 HG13 VAL A 72 -0.599 3.264 2.790 1.00 25.30 H new ATOM 0 HG21 VAL A 72 -2.947 1.573 3.855 1.00 35.32 H new ATOM 0 HG22 VAL A 72 -2.066 2.762 4.844 1.00 35.32 H new ATOM 0 HG23 VAL A 72 -3.834 2.881 4.672 1.00 35.32 H new ATOM 1167 N GLU A 73 -5.004 5.462 3.023 1.00 60.41 N ATOM 1168 CA GLU A 73 -6.369 5.809 3.386 1.00 34.24 C ATOM 1169 C GLU A 73 -7.325 4.750 2.838 1.00 12.42 C ATOM 1170 O GLU A 73 -7.058 4.157 1.797 1.00 11.15 O ATOM 1171 CB GLU A 73 -6.717 7.199 2.841 1.00 4.40 C ATOM 1172 CG GLU A 73 -8.127 7.665 3.174 1.00 64.44 C ATOM 1173 CD GLU A 73 -8.424 7.641 4.660 1.00 73.30 C ATOM 1174 OE1 GLU A 73 -8.184 8.659 5.339 1.00 63.23 O ATOM 1175 OE2 GLU A 73 -8.920 6.605 5.152 1.00 13.33 O ATOM 0 H GLU A 73 -4.879 5.264 2.030 1.00 60.41 H new ATOM 0 HA GLU A 73 -6.466 5.837 4.471 1.00 34.24 H new ATOM 0 HB2 GLU A 73 -6.004 7.922 3.239 1.00 4.40 H new ATOM 0 HB3 GLU A 73 -6.595 7.193 1.758 1.00 4.40 H new ATOM 0 HG2 GLU A 73 -8.267 8.678 2.798 1.00 64.44 H new ATOM 0 HG3 GLU A 73 -8.845 7.030 2.655 1.00 64.44 H new ATOM 1183 N LEU A 74 -8.431 4.529 3.534 1.00 55.40 N ATOM 1184 CA LEU A 74 -9.346 3.437 3.214 1.00 43.30 C ATOM 1185 C LEU A 74 -10.310 3.793 2.087 1.00 42.42 C ATOM 1186 O LEU A 74 -10.509 4.963 1.752 1.00 2.10 O ATOM 1187 CB LEU A 74 -10.145 3.032 4.458 1.00 41.03 C ATOM 1188 CG LEU A 74 -9.812 1.651 5.036 1.00 13.21 C ATOM 1189 CD1 LEU A 74 -10.135 0.553 4.032 1.00 40.22 C ATOM 1190 CD2 LEU A 74 -8.351 1.580 5.447 1.00 52.14 C ATOM 0 H LEU A 74 -8.720 5.096 4.331 1.00 55.40 H new ATOM 0 HA LEU A 74 -8.733 2.602 2.874 1.00 43.30 H new ATOM 0 HB2 LEU A 74 -9.981 3.780 5.233 1.00 41.03 H new ATOM 0 HB3 LEU A 74 -11.206 3.057 4.211 1.00 41.03 H new ATOM 0 HG LEU A 74 -10.428 1.498 5.922 1.00 13.21 H new ATOM 0 HD11 LEU A 74 -9.891 -0.418 4.463 1.00 40.22 H new ATOM 0 HD12 LEU A 74 -11.197 0.585 3.787 1.00 40.22 H new ATOM 0 HD13 LEU A 74 -9.549 0.705 3.126 1.00 40.22 H new ATOM 0 HD21 LEU A 74 -8.135 0.592 5.854 1.00 52.14 H new ATOM 0 HD22 LEU A 74 -7.719 1.760 4.577 1.00 52.14 H new ATOM 0 HD23 LEU A 74 -8.149 2.337 6.205 1.00 52.14 H new