USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 811 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 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 90 MET CE :methyl -155:sc= -0.528 (180deg=-1.15) USER MOD Set 2.1: A 89 THR OG1 : rot 105:sc= 0.233 USER MOD Set 2.2: A 91 ASN : amide:sc= 0.221 X(o=0.45,f=0.24) USER MOD Set 3.1: A 6 ASN : amide:sc= 1.04 K(o=2.3,f=-1.8) USER MOD Set 3.2: A 36 THR OG1 : rot 132:sc= 1.26 USER MOD Single : A 4 SER OG : rot -13:sc= 0.85 USER MOD Single : A 5 MET CE :methyl -153:sc= -1.7 (180deg=-4.24!) USER MOD Single : A 11 CYS SG : rot 180:sc= -0.751 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 50:sc= -0.382 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.057 K(o=-0.057,f=-1.9!) USER MOD Single : A 34 ASN : amide:sc= 0.00625 X(o=0.0062,f=-0.44) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 42:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.207 K(o=-0.21,f=-2) USER MOD Single : A 65 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.16) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -23:sc= -0.625 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.0276 X(o=-0.028,f=-0.33) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.419 X(o=-0.42,f=0) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 104 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.3!) USER MOD Single : A 105 ASN : amide:sc= -0.153 K(o=-0.15,f=-0.65) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N SER A 4 7.569 -13.540 -3.879 1.00 41.13 N ATOM 30 CA SER A 4 7.499 -12.410 -2.960 1.00 75.21 C ATOM 31 C SER A 4 6.369 -11.462 -3.349 1.00 54.14 C ATOM 32 O SER A 4 6.019 -11.346 -4.523 1.00 53.24 O ATOM 33 CB SER A 4 8.829 -11.656 -2.943 1.00 43.24 C ATOM 34 OG SER A 4 9.715 -12.162 -3.927 1.00 43.11 O ATOM 0 HA SER A 4 7.297 -12.798 -1.962 1.00 75.21 H new ATOM 0 HB2 SER A 4 8.651 -10.595 -3.120 1.00 43.24 H new ATOM 0 HB3 SER A 4 9.287 -11.742 -1.958 1.00 43.24 H new ATOM 0 HG SER A 4 9.371 -13.013 -4.270 1.00 43.11 H new ATOM 40 N MET A 5 5.802 -10.787 -2.355 1.00 73.23 N ATOM 41 CA MET A 5 4.712 -9.848 -2.593 1.00 52.32 C ATOM 42 C MET A 5 5.251 -8.445 -2.855 1.00 53.44 C ATOM 43 O MET A 5 6.381 -8.126 -2.492 1.00 0.10 O ATOM 44 CB MET A 5 3.759 -9.825 -1.396 1.00 42.12 C ATOM 45 CG MET A 5 2.318 -9.522 -1.772 1.00 43.21 C ATOM 46 SD MET A 5 1.870 -7.800 -1.476 1.00 4.14 S ATOM 47 CE MET A 5 1.616 -7.817 0.297 1.00 11.40 C ATOM 0 H MET A 5 6.079 -10.873 -1.377 1.00 73.23 H new ATOM 0 HA MET A 5 4.166 -10.180 -3.476 1.00 52.32 H new ATOM 0 HB2 MET A 5 3.799 -10.791 -0.892 1.00 42.12 H new ATOM 0 HB3 MET A 5 4.104 -9.078 -0.682 1.00 42.12 H new ATOM 0 HG2 MET A 5 2.164 -9.758 -2.825 1.00 43.21 H new ATOM 0 HG3 MET A 5 1.653 -10.170 -1.200 1.00 43.21 H new ATOM 0 HE1 MET A 5 0.908 -7.035 0.571 1.00 11.40 H new ATOM 0 HE2 MET A 5 1.220 -8.787 0.598 1.00 11.40 H new ATOM 0 HE3 MET A 5 2.565 -7.640 0.802 1.00 11.40 H new ATOM 57 N ASN A 6 4.432 -7.611 -3.490 1.00 63.13 N ATOM 58 CA ASN A 6 4.828 -6.243 -3.802 1.00 41.14 C ATOM 59 C ASN A 6 3.745 -5.254 -3.380 1.00 71.25 C ATOM 60 O ASN A 6 2.656 -5.227 -3.956 1.00 3.01 O ATOM 61 CB ASN A 6 5.110 -6.099 -5.299 1.00 21.31 C ATOM 62 CG ASN A 6 6.199 -7.042 -5.775 1.00 15.32 C ATOM 63 OD1 ASN A 6 7.385 -6.799 -5.556 1.00 21.14 O ATOM 64 ND2 ASN A 6 5.798 -8.125 -6.430 1.00 43.04 N ATOM 0 H ASN A 6 3.492 -7.859 -3.798 1.00 63.13 H new ATOM 0 HA ASN A 6 5.738 -6.019 -3.245 1.00 41.14 H new ATOM 0 HB2 ASN A 6 4.195 -6.293 -5.859 1.00 21.31 H new ATOM 0 HB3 ASN A 6 5.403 -5.071 -5.514 1.00 21.31 H new ATOM 0 HD21 ASN A 6 6.485 -8.796 -6.774 1.00 43.04 H new ATOM 0 HD22 ASN A 6 4.803 -8.286 -6.589 1.00 43.04 H new ATOM 71 N ILE A 7 4.052 -4.443 -2.374 1.00 33.25 N ATOM 72 CA ILE A 7 3.106 -3.452 -1.876 1.00 11.50 C ATOM 73 C ILE A 7 3.417 -2.066 -2.434 1.00 22.43 C ATOM 74 O ILE A 7 4.566 -1.623 -2.417 1.00 2.42 O ATOM 75 CB ILE A 7 3.114 -3.387 -0.337 1.00 61.32 C ATOM 76 CG1 ILE A 7 2.902 -4.783 0.253 1.00 20.04 C ATOM 77 CG2 ILE A 7 2.043 -2.427 0.158 1.00 32.54 C ATOM 78 CD1 ILE A 7 2.912 -4.806 1.766 1.00 64.31 C ATOM 0 H ILE A 7 4.948 -4.452 -1.887 1.00 33.25 H new ATOM 0 HA ILE A 7 2.117 -3.764 -2.212 1.00 11.50 H new ATOM 0 HB ILE A 7 4.085 -3.017 -0.007 1.00 61.32 H new ATOM 0 HG12 ILE A 7 1.950 -5.178 -0.102 1.00 20.04 H new ATOM 0 HG13 ILE A 7 3.682 -5.448 -0.118 1.00 20.04 H new ATOM 0 HG21 ILE A 7 2.061 -2.392 1.247 1.00 32.54 H new ATOM 0 HG22 ILE A 7 2.235 -1.431 -0.240 1.00 32.54 H new ATOM 0 HG23 ILE A 7 1.064 -2.769 -0.178 1.00 32.54 H new ATOM 0 HD11 ILE A 7 2.756 -5.827 2.115 1.00 64.31 H new ATOM 0 HD12 ILE A 7 3.873 -4.441 2.129 1.00 64.31 H new ATOM 0 HD13 ILE A 7 2.114 -4.167 2.145 1.00 64.31 H new ATOM 90 N LEU A 8 2.386 -1.388 -2.925 1.00 24.03 N ATOM 91 CA LEU A 8 2.549 -0.051 -3.486 1.00 32.22 C ATOM 92 C LEU A 8 1.947 1.003 -2.563 1.00 44.54 C ATOM 93 O LEU A 8 0.837 0.839 -2.055 1.00 21.21 O ATOM 94 CB LEU A 8 1.892 0.028 -4.866 1.00 24.54 C ATOM 95 CG LEU A 8 2.643 0.841 -5.920 1.00 54.43 C ATOM 96 CD1 LEU A 8 1.817 0.959 -7.191 1.00 72.34 C ATOM 97 CD2 LEU A 8 2.993 2.221 -5.381 1.00 11.04 C ATOM 0 H LEU A 8 1.429 -1.741 -2.946 1.00 24.03 H new ATOM 0 HA LEU A 8 3.616 0.147 -3.586 1.00 32.22 H new ATOM 0 HB2 LEU A 8 1.762 -0.986 -5.243 1.00 24.54 H new ATOM 0 HB3 LEU A 8 0.896 0.455 -4.748 1.00 24.54 H new ATOM 0 HG LEU A 8 3.570 0.320 -6.159 1.00 54.43 H new ATOM 0 HD11 LEU A 8 2.368 1.541 -7.930 1.00 72.34 H new ATOM 0 HD12 LEU A 8 1.617 -0.036 -7.589 1.00 72.34 H new ATOM 0 HD13 LEU A 8 0.874 1.457 -6.967 1.00 72.34 H new ATOM 0 HD21 LEU A 8 3.527 2.785 -6.145 1.00 11.04 H new ATOM 0 HD22 LEU A 8 2.078 2.750 -5.113 1.00 11.04 H new ATOM 0 HD23 LEU A 8 3.624 2.118 -4.499 1.00 11.04 H new ATOM 109 N LEU A 9 2.685 2.088 -2.351 1.00 61.11 N ATOM 110 CA LEU A 9 2.224 3.172 -1.491 1.00 30.43 C ATOM 111 C LEU A 9 2.074 4.468 -2.281 1.00 73.33 C ATOM 112 O LEU A 9 2.960 4.847 -3.046 1.00 51.11 O ATOM 113 CB LEU A 9 3.199 3.379 -0.330 1.00 73.35 C ATOM 114 CG LEU A 9 2.708 4.276 0.806 1.00 62.52 C ATOM 115 CD1 LEU A 9 1.386 3.765 1.357 1.00 43.35 C ATOM 116 CD2 LEU A 9 3.752 4.357 1.910 1.00 63.42 C ATOM 0 H LEU A 9 3.605 2.240 -2.763 1.00 61.11 H new ATOM 0 HA LEU A 9 1.248 2.896 -1.093 1.00 30.43 H new ATOM 0 HB2 LEU A 9 3.449 2.403 0.086 1.00 73.35 H new ATOM 0 HB3 LEU A 9 4.122 3.802 -0.727 1.00 73.35 H new ATOM 0 HG LEU A 9 2.549 5.278 0.409 1.00 62.52 H new ATOM 0 HD11 LEU A 9 1.052 4.416 2.165 1.00 43.35 H new ATOM 0 HD12 LEU A 9 0.639 3.759 0.563 1.00 43.35 H new ATOM 0 HD13 LEU A 9 1.518 2.752 1.738 1.00 43.35 H new ATOM 0 HD21 LEU A 9 3.386 5.000 2.711 1.00 63.42 H new ATOM 0 HD22 LEU A 9 3.943 3.359 2.304 1.00 63.42 H new ATOM 0 HD23 LEU A 9 4.676 4.771 1.507 1.00 63.42 H new ATOM 128 N VAL A 10 0.946 5.145 -2.089 1.00 2.13 N ATOM 129 CA VAL A 10 0.681 6.400 -2.781 1.00 12.32 C ATOM 130 C VAL A 10 0.672 7.574 -1.807 1.00 61.41 C ATOM 131 O VAL A 10 -0.364 7.911 -1.234 1.00 74.14 O ATOM 132 CB VAL A 10 -0.666 6.357 -3.527 1.00 10.13 C ATOM 133 CG1 VAL A 10 -0.832 7.590 -4.401 1.00 74.43 C ATOM 134 CG2 VAL A 10 -0.775 5.086 -4.356 1.00 31.22 C ATOM 0 H VAL A 10 0.201 4.845 -1.460 1.00 2.13 H new ATOM 0 HA VAL A 10 1.485 6.537 -3.505 1.00 12.32 H new ATOM 0 HB VAL A 10 -1.470 6.353 -2.791 1.00 10.13 H new ATOM 0 HG11 VAL A 10 -1.789 7.542 -4.920 1.00 74.43 H new ATOM 0 HG12 VAL A 10 -0.801 8.484 -3.778 1.00 74.43 H new ATOM 0 HG13 VAL A 10 -0.024 7.629 -5.132 1.00 74.43 H new ATOM 0 HG21 VAL A 10 -1.733 5.072 -4.876 1.00 31.22 H new ATOM 0 HG22 VAL A 10 0.035 5.057 -5.085 1.00 31.22 H new ATOM 0 HG23 VAL A 10 -0.705 4.217 -3.701 1.00 31.22 H new ATOM 144 N CYS A 11 1.833 8.192 -1.625 1.00 1.13 N ATOM 145 CA CYS A 11 1.961 9.329 -0.719 1.00 33.42 C ATOM 146 C CYS A 11 2.883 10.391 -1.306 1.00 62.22 C ATOM 147 O CYS A 11 2.603 11.586 -1.224 1.00 32.34 O ATOM 148 CB CYS A 11 2.492 8.867 0.639 1.00 3.50 C ATOM 149 SG CYS A 11 3.949 7.801 0.538 1.00 15.13 S ATOM 0 H CYS A 11 2.700 7.926 -2.092 1.00 1.13 H new ATOM 0 HA CYS A 11 0.973 9.768 -0.584 1.00 33.42 H new ATOM 0 HB2 CYS A 11 2.737 9.744 1.239 1.00 3.50 H new ATOM 0 HB3 CYS A 11 1.700 8.333 1.164 1.00 3.50 H new ATOM 0 HG CYS A 11 4.324 7.465 1.736 1.00 15.13 H new ATOM 232 N MET A 19 8.816 7.457 6.937 1.00 3.23 N ATOM 233 CA MET A 19 8.565 6.819 8.225 1.00 45.33 C ATOM 234 C MET A 19 7.873 5.473 8.038 1.00 23.21 C ATOM 235 O MET A 19 8.341 4.448 8.539 1.00 52.24 O ATOM 236 CB MET A 19 7.710 7.727 9.110 1.00 71.33 C ATOM 237 CG MET A 19 8.224 9.154 9.194 1.00 41.43 C ATOM 238 SD MET A 19 8.580 9.667 10.886 1.00 62.31 S ATOM 239 CE MET A 19 10.065 8.722 11.220 1.00 74.41 C ATOM 0 HA MET A 19 9.525 6.650 8.712 1.00 45.33 H new ATOM 0 HB2 MET A 19 6.690 7.739 8.726 1.00 71.33 H new ATOM 0 HB3 MET A 19 7.667 7.306 10.114 1.00 71.33 H new ATOM 0 HG2 MET A 19 9.129 9.246 8.593 1.00 41.43 H new ATOM 0 HG3 MET A 19 7.484 9.828 8.762 1.00 41.43 H new ATOM 0 HE1 MET A 19 10.410 8.932 12.233 1.00 74.41 H new ATOM 0 HE2 MET A 19 9.849 7.658 11.123 1.00 74.41 H new ATOM 0 HE3 MET A 19 10.841 9.001 10.508 1.00 74.41 H new ATOM 249 N LEU A 20 6.759 5.480 7.317 1.00 74.04 N ATOM 250 CA LEU A 20 6.003 4.259 7.064 1.00 15.10 C ATOM 251 C LEU A 20 6.906 3.164 6.507 1.00 73.40 C ATOM 252 O LEU A 20 6.967 2.059 7.048 1.00 70.02 O ATOM 253 CB LEU A 20 4.858 4.537 6.087 1.00 14.05 C ATOM 254 CG LEU A 20 3.474 4.720 6.711 1.00 35.20 C ATOM 255 CD1 LEU A 20 2.456 5.106 5.649 1.00 44.42 C ATOM 256 CD2 LEU A 20 3.041 3.451 7.431 1.00 74.13 C ATOM 0 H LEU A 20 6.358 6.318 6.896 1.00 74.04 H new ATOM 0 HA LEU A 20 5.589 3.916 8.012 1.00 15.10 H new ATOM 0 HB2 LEU A 20 5.101 5.436 5.520 1.00 14.05 H new ATOM 0 HB3 LEU A 20 4.807 3.714 5.374 1.00 14.05 H new ATOM 0 HG LEU A 20 3.530 5.527 7.441 1.00 35.20 H new ATOM 0 HD11 LEU A 20 1.477 5.232 6.112 1.00 44.42 H new ATOM 0 HD12 LEU A 20 2.758 6.042 5.179 1.00 44.42 H new ATOM 0 HD13 LEU A 20 2.402 4.321 4.894 1.00 44.42 H new ATOM 0 HD21 LEU A 20 2.054 3.600 7.869 1.00 74.13 H new ATOM 0 HD22 LEU A 20 3.002 2.625 6.721 1.00 74.13 H new ATOM 0 HD23 LEU A 20 3.756 3.218 8.220 1.00 74.13 H new ATOM 268 N VAL A 21 7.608 3.477 5.423 1.00 43.44 N ATOM 269 CA VAL A 21 8.512 2.522 4.794 1.00 15.31 C ATOM 270 C VAL A 21 9.505 1.958 5.804 1.00 34.42 C ATOM 271 O VAL A 21 9.782 0.759 5.812 1.00 22.24 O ATOM 272 CB VAL A 21 9.290 3.166 3.631 1.00 21.13 C ATOM 273 CG1 VAL A 21 10.248 2.162 3.008 1.00 74.20 C ATOM 274 CG2 VAL A 21 8.328 3.717 2.588 1.00 23.14 C ATOM 0 H VAL A 21 7.568 4.386 4.962 1.00 43.44 H new ATOM 0 HA VAL A 21 7.895 1.713 4.404 1.00 15.31 H new ATOM 0 HB VAL A 21 9.878 3.995 4.025 1.00 21.13 H new ATOM 0 HG11 VAL A 21 10.789 2.635 2.188 1.00 74.20 H new ATOM 0 HG12 VAL A 21 10.958 1.820 3.761 1.00 74.20 H new ATOM 0 HG13 VAL A 21 9.685 1.310 2.627 1.00 74.20 H new ATOM 0 HG21 VAL A 21 8.894 4.168 1.773 1.00 23.14 H new ATOM 0 HG22 VAL A 21 7.712 2.907 2.197 1.00 23.14 H new ATOM 0 HG23 VAL A 21 7.687 4.471 3.046 1.00 23.14 H new ATOM 284 N GLN A 22 10.036 2.830 6.654 1.00 44.32 N ATOM 285 CA GLN A 22 10.999 2.418 7.668 1.00 43.51 C ATOM 286 C GLN A 22 10.397 1.367 8.595 1.00 2.03 C ATOM 287 O GLN A 22 10.954 0.283 8.765 1.00 4.42 O ATOM 288 CB GLN A 22 11.463 3.627 8.482 1.00 3.41 C ATOM 289 CG GLN A 22 12.949 3.917 8.349 1.00 52.54 C ATOM 290 CD GLN A 22 13.747 3.439 9.545 1.00 61.05 C ATOM 291 OE1 GLN A 22 14.125 4.229 10.410 1.00 5.42 O ATOM 292 NE2 GLN A 22 14.007 2.138 9.602 1.00 42.14 N ATOM 0 H GLN A 22 9.816 3.826 6.661 1.00 44.32 H new ATOM 0 HA GLN A 22 11.858 1.979 7.160 1.00 43.51 H new ATOM 0 HB2 GLN A 22 10.900 4.505 8.165 1.00 3.41 H new ATOM 0 HB3 GLN A 22 11.227 3.459 9.533 1.00 3.41 H new ATOM 0 HG2 GLN A 22 13.330 3.436 7.448 1.00 52.54 H new ATOM 0 HG3 GLN A 22 13.096 4.990 8.224 1.00 52.54 H new ATOM 0 HE21 GLN A 22 13.674 1.519 8.863 1.00 42.14 H new ATOM 0 HE22 GLN A 22 14.539 1.758 10.385 1.00 42.14 H new ATOM 301 N ARG A 23 9.256 1.696 9.193 1.00 41.34 N ATOM 302 CA ARG A 23 8.580 0.781 10.104 1.00 32.11 C ATOM 303 C ARG A 23 8.314 -0.561 9.428 1.00 1.14 C ATOM 304 O ARG A 23 8.782 -1.602 9.888 1.00 22.43 O ATOM 305 CB ARG A 23 7.263 1.391 10.587 1.00 33.45 C ATOM 306 CG ARG A 23 7.430 2.734 11.279 1.00 65.13 C ATOM 307 CD ARG A 23 7.240 2.614 12.782 1.00 0.42 C ATOM 308 NE ARG A 23 7.454 3.889 13.464 1.00 72.02 N ATOM 309 CZ ARG A 23 8.650 4.445 13.623 1.00 33.31 C ATOM 310 NH1 ARG A 23 9.733 3.843 13.152 1.00 60.24 N ATOM 311 NH2 ARG A 23 8.764 5.606 14.254 1.00 52.23 N ATOM 0 H ARG A 23 8.781 2.589 9.063 1.00 41.34 H new ATOM 0 HA ARG A 23 9.231 0.613 10.962 1.00 32.11 H new ATOM 0 HB2 ARG A 23 6.594 1.512 9.735 1.00 33.45 H new ATOM 0 HB3 ARG A 23 6.781 0.696 11.274 1.00 33.45 H new ATOM 0 HG2 ARG A 23 8.422 3.133 11.067 1.00 65.13 H new ATOM 0 HG3 ARG A 23 6.708 3.444 10.876 1.00 65.13 H new ATOM 0 HD2 ARG A 23 6.233 2.255 12.993 1.00 0.42 H new ATOM 0 HD3 ARG A 23 7.933 1.871 13.177 1.00 0.42 H new ATOM 0 HE ARG A 23 6.641 4.378 13.838 1.00 72.02 H new ATOM 0 HH11 ARG A 23 9.650 2.950 12.666 1.00 60.24 H new ATOM 0 HH12 ARG A 23 10.650 4.273 13.276 1.00 60.24 H new ATOM 0 HH21 ARG A 23 7.933 6.073 14.618 1.00 52.23 H new ATOM 0 HH22 ARG A 23 9.683 6.032 14.376 1.00 52.23 H new ATOM 325 N ILE A 24 7.560 -0.528 8.335 1.00 54.50 N ATOM 326 CA ILE A 24 7.232 -1.741 7.596 1.00 25.02 C ATOM 327 C ILE A 24 8.491 -2.521 7.235 1.00 24.30 C ATOM 328 O ILE A 24 8.534 -3.744 7.368 1.00 44.25 O ATOM 329 CB ILE A 24 6.452 -1.422 6.307 1.00 53.24 C ATOM 330 CG1 ILE A 24 5.161 -0.670 6.639 1.00 64.30 C ATOM 331 CG2 ILE A 24 6.146 -2.701 5.543 1.00 34.33 C ATOM 332 CD1 ILE A 24 4.899 0.511 5.731 1.00 64.22 C ATOM 0 H ILE A 24 7.164 0.326 7.941 1.00 54.50 H new ATOM 0 HA ILE A 24 6.605 -2.348 8.249 1.00 25.02 H new ATOM 0 HB ILE A 24 7.069 -0.784 5.675 1.00 53.24 H new ATOM 0 HG12 ILE A 24 4.321 -1.361 6.574 1.00 64.30 H new ATOM 0 HG13 ILE A 24 5.208 -0.321 7.671 1.00 64.30 H new ATOM 0 HG21 ILE A 24 5.594 -2.459 4.635 1.00 34.33 H new ATOM 0 HG22 ILE A 24 7.079 -3.199 5.279 1.00 34.33 H new ATOM 0 HG23 ILE A 24 5.545 -3.363 6.167 1.00 34.33 H new ATOM 0 HD11 ILE A 24 3.968 0.996 6.025 1.00 64.22 H new ATOM 0 HD12 ILE A 24 5.721 1.223 5.813 1.00 64.22 H new ATOM 0 HD13 ILE A 24 4.819 0.167 4.700 1.00 64.22 H new ATOM 344 N GLU A 25 9.515 -1.805 6.781 1.00 40.01 N ATOM 345 CA GLU A 25 10.776 -2.431 6.401 1.00 25.40 C ATOM 346 C GLU A 25 11.414 -3.137 7.595 1.00 45.51 C ATOM 347 O GLU A 25 11.951 -4.236 7.468 1.00 73.52 O ATOM 348 CB GLU A 25 11.741 -1.387 5.836 1.00 15.54 C ATOM 349 CG GLU A 25 11.506 -1.072 4.369 1.00 32.24 C ATOM 350 CD GLU A 25 12.464 -1.810 3.454 1.00 62.11 C ATOM 351 OE1 GLU A 25 12.451 -3.059 3.465 1.00 34.25 O ATOM 352 OE2 GLU A 25 13.226 -1.140 2.727 1.00 41.11 O ATOM 0 H GLU A 25 9.496 -0.792 6.667 1.00 40.01 H new ATOM 0 HA GLU A 25 10.566 -3.173 5.631 1.00 25.40 H new ATOM 0 HB2 GLU A 25 11.649 -0.468 6.415 1.00 15.54 H new ATOM 0 HB3 GLU A 25 12.763 -1.743 5.963 1.00 15.54 H new ATOM 0 HG2 GLU A 25 10.482 -1.334 4.104 1.00 32.24 H new ATOM 0 HG3 GLU A 25 11.611 0.001 4.210 1.00 32.24 H new ATOM 359 N LYS A 26 11.351 -2.494 8.757 1.00 44.13 N ATOM 360 CA LYS A 26 11.922 -3.056 9.975 1.00 43.13 C ATOM 361 C LYS A 26 11.212 -4.351 10.360 1.00 1.44 C ATOM 362 O LYS A 26 11.837 -5.405 10.463 1.00 25.32 O ATOM 363 CB LYS A 26 11.825 -2.048 11.122 1.00 54.01 C ATOM 364 CG LYS A 26 13.105 -1.264 11.353 1.00 50.31 C ATOM 365 CD LYS A 26 14.150 -2.102 12.069 1.00 5.24 C ATOM 366 CE LYS A 26 13.888 -2.159 13.566 1.00 61.21 C ATOM 367 NZ LYS A 26 14.056 -3.537 14.107 1.00 70.14 N ATOM 0 H LYS A 26 10.910 -1.583 8.880 1.00 44.13 H new ATOM 0 HA LYS A 26 12.972 -3.279 9.785 1.00 43.13 H new ATOM 0 HB2 LYS A 26 11.014 -1.350 10.914 1.00 54.01 H new ATOM 0 HB3 LYS A 26 11.563 -2.577 12.038 1.00 54.01 H new ATOM 0 HG2 LYS A 26 13.502 -0.924 10.397 1.00 50.31 H new ATOM 0 HG3 LYS A 26 12.886 -0.373 11.942 1.00 50.31 H new ATOM 0 HD2 LYS A 26 14.151 -3.112 11.660 1.00 5.24 H new ATOM 0 HD3 LYS A 26 15.140 -1.684 11.887 1.00 5.24 H new ATOM 0 HE2 LYS A 26 14.570 -1.482 14.080 1.00 61.21 H new ATOM 0 HE3 LYS A 26 12.876 -1.809 13.771 1.00 61.21 H new ATOM 0 HZ1 LYS A 26 13.869 -3.534 15.130 1.00 70.14 H new ATOM 0 HZ2 LYS A 26 13.388 -4.179 13.635 1.00 70.14 H new ATOM 0 HZ3 LYS A 26 15.029 -3.862 13.934 1.00 70.14 H new ATOM 381 N TYR A 27 9.904 -4.262 10.570 1.00 31.01 N ATOM 382 CA TYR A 27 9.109 -5.426 10.945 1.00 24.22 C ATOM 383 C TYR A 27 9.344 -6.580 9.975 1.00 35.54 C ATOM 384 O TYR A 27 9.636 -7.702 10.389 1.00 63.55 O ATOM 385 CB TYR A 27 7.622 -5.066 10.977 1.00 64.21 C ATOM 386 CG TYR A 27 6.719 -6.250 11.237 1.00 1.41 C ATOM 387 CD1 TYR A 27 6.289 -7.063 10.196 1.00 64.05 C ATOM 388 CD2 TYR A 27 6.294 -6.556 12.524 1.00 44.20 C ATOM 389 CE1 TYR A 27 5.463 -8.145 10.428 1.00 63.40 C ATOM 390 CE2 TYR A 27 5.470 -7.636 12.767 1.00 74.10 C ATOM 391 CZ TYR A 27 5.056 -8.428 11.715 1.00 31.02 C ATOM 392 OH TYR A 27 4.233 -9.505 11.952 1.00 63.31 O ATOM 0 H TYR A 27 9.371 -3.396 10.487 1.00 31.01 H new ATOM 0 HA TYR A 27 9.420 -5.742 11.941 1.00 24.22 H new ATOM 0 HB2 TYR A 27 7.455 -4.315 11.750 1.00 64.21 H new ATOM 0 HB3 TYR A 27 7.346 -4.611 10.026 1.00 64.21 H new ATOM 0 HD1 TYR A 27 6.606 -6.845 9.187 1.00 64.05 H new ATOM 0 HD2 TYR A 27 6.614 -5.937 13.349 1.00 44.20 H new ATOM 0 HE1 TYR A 27 5.138 -8.766 9.606 1.00 63.40 H new ATOM 0 HE2 TYR A 27 5.151 -7.860 13.774 1.00 74.10 H new ATOM 0 HH TYR A 27 4.602 -10.301 11.516 1.00 63.31 H new ATOM 402 N ALA A 28 9.213 -6.296 8.684 1.00 0.04 N ATOM 403 CA ALA A 28 9.413 -7.308 7.655 1.00 72.30 C ATOM 404 C ALA A 28 10.832 -7.863 7.699 1.00 2.10 C ATOM 405 O ALA A 28 11.037 -9.077 7.672 1.00 41.41 O ATOM 406 CB ALA A 28 9.113 -6.730 6.279 1.00 13.44 C ATOM 0 H ALA A 28 8.969 -5.373 8.326 1.00 0.04 H new ATOM 0 HA ALA A 28 8.723 -8.129 7.850 1.00 72.30 H new ATOM 0 HB1 ALA A 28 9.267 -7.498 5.521 1.00 13.44 H new ATOM 0 HB2 ALA A 28 8.078 -6.389 6.245 1.00 13.44 H new ATOM 0 HB3 ALA A 28 9.779 -5.889 6.084 1.00 13.44 H new ATOM 412 N LYS A 29 11.811 -6.966 7.765 1.00 32.40 N ATOM 413 CA LYS A 29 13.213 -7.365 7.814 1.00 40.15 C ATOM 414 C LYS A 29 13.488 -8.242 9.031 1.00 52.21 C ATOM 415 O LYS A 29 14.386 -9.083 9.012 1.00 4.32 O ATOM 416 CB LYS A 29 14.115 -6.130 7.847 1.00 35.21 C ATOM 417 CG LYS A 29 15.597 -6.459 7.899 1.00 21.51 C ATOM 418 CD LYS A 29 16.421 -5.446 7.123 1.00 61.03 C ATOM 419 CE LYS A 29 17.606 -6.104 6.431 1.00 4.24 C ATOM 420 NZ LYS A 29 18.846 -5.290 6.562 1.00 5.11 N ATOM 0 H LYS A 29 11.659 -5.958 7.786 1.00 32.40 H new ATOM 0 HA LYS A 29 13.432 -7.943 6.916 1.00 40.15 H new ATOM 0 HB2 LYS A 29 13.917 -5.523 6.964 1.00 35.21 H new ATOM 0 HB3 LYS A 29 13.855 -5.524 8.715 1.00 35.21 H new ATOM 0 HG2 LYS A 29 15.929 -6.481 8.937 1.00 21.51 H new ATOM 0 HG3 LYS A 29 15.764 -7.455 7.490 1.00 21.51 H new ATOM 0 HD2 LYS A 29 15.791 -4.955 6.381 1.00 61.03 H new ATOM 0 HD3 LYS A 29 16.779 -4.671 7.801 1.00 61.03 H new ATOM 0 HE2 LYS A 29 17.773 -7.092 6.859 1.00 4.24 H new ATOM 0 HE3 LYS A 29 17.376 -6.248 5.375 1.00 4.24 H new ATOM 0 HZ1 LYS A 29 19.630 -5.772 6.078 1.00 5.11 H new ATOM 0 HZ2 LYS A 29 18.695 -4.355 6.131 1.00 5.11 H new ATOM 0 HZ3 LYS A 29 19.080 -5.174 7.569 1.00 5.11 H new ATOM 434 N SER A 30 12.707 -8.040 10.088 1.00 53.25 N ATOM 435 CA SER A 30 12.868 -8.811 11.315 1.00 11.41 C ATOM 436 C SER A 30 12.140 -10.148 11.217 1.00 53.41 C ATOM 437 O SER A 30 12.666 -11.186 11.618 1.00 13.12 O ATOM 438 CB SER A 30 12.343 -8.017 12.513 1.00 72.31 C ATOM 439 OG SER A 30 11.908 -8.884 13.547 1.00 3.53 O ATOM 0 H SER A 30 11.957 -7.349 10.119 1.00 53.25 H new ATOM 0 HA SER A 30 13.931 -9.007 11.455 1.00 11.41 H new ATOM 0 HB2 SER A 30 13.127 -7.360 12.890 1.00 72.31 H new ATOM 0 HB3 SER A 30 11.517 -7.379 12.197 1.00 72.31 H new ATOM 0 HG SER A 30 11.578 -8.353 14.302 1.00 3.53 H new ATOM 445 N LYS A 31 10.925 -10.113 10.680 1.00 71.42 N ATOM 446 CA LYS A 31 10.121 -11.321 10.526 1.00 24.23 C ATOM 447 C LYS A 31 10.672 -12.201 9.409 1.00 75.14 C ATOM 448 O LYS A 31 10.338 -13.382 9.316 1.00 72.21 O ATOM 449 CB LYS A 31 8.665 -10.956 10.233 1.00 13.20 C ATOM 450 CG LYS A 31 7.896 -10.490 11.457 1.00 42.03 C ATOM 451 CD LYS A 31 7.780 -11.593 12.496 1.00 42.15 C ATOM 452 CE LYS A 31 6.569 -11.389 13.393 1.00 52.23 C ATOM 453 NZ LYS A 31 5.634 -12.546 13.333 1.00 13.01 N ATOM 0 H LYS A 31 10.475 -9.262 10.344 1.00 71.42 H new ATOM 0 HA LYS A 31 10.166 -11.880 11.461 1.00 24.23 H new ATOM 0 HB2 LYS A 31 8.641 -10.170 9.478 1.00 13.20 H new ATOM 0 HB3 LYS A 31 8.161 -11.823 9.806 1.00 13.20 H new ATOM 0 HG2 LYS A 31 8.397 -9.627 11.896 1.00 42.03 H new ATOM 0 HG3 LYS A 31 6.900 -10.163 11.159 1.00 42.03 H new ATOM 0 HD2 LYS A 31 7.705 -12.559 11.996 1.00 42.15 H new ATOM 0 HD3 LYS A 31 8.684 -11.618 13.104 1.00 42.15 H new ATOM 0 HE2 LYS A 31 6.899 -11.242 14.421 1.00 52.23 H new ATOM 0 HE3 LYS A 31 6.044 -10.482 13.094 1.00 52.23 H new ATOM 0 HZ1 LYS A 31 4.822 -12.369 13.958 1.00 13.01 H new ATOM 0 HZ2 LYS A 31 5.299 -12.671 12.356 1.00 13.01 H new ATOM 0 HZ3 LYS A 31 6.127 -13.408 13.643 1.00 13.01 H new ATOM 467 N ASN A 32 11.516 -11.619 8.564 1.00 51.21 N ATOM 468 CA ASN A 32 12.112 -12.352 7.453 1.00 52.22 C ATOM 469 C ASN A 32 11.043 -12.804 6.462 1.00 24.35 C ATOM 470 O ASN A 32 10.865 -13.999 6.230 1.00 62.23 O ATOM 471 CB ASN A 32 12.888 -13.564 7.972 1.00 31.44 C ATOM 472 CG ASN A 32 13.920 -14.059 6.978 1.00 22.43 C ATOM 473 OD1 ASN A 32 13.777 -13.868 5.770 1.00 21.14 O ATOM 474 ND2 ASN A 32 14.969 -14.699 7.483 1.00 34.21 N ATOM 0 H ASN A 32 11.803 -10.642 8.627 1.00 51.21 H new ATOM 0 HA ASN A 32 12.800 -11.682 6.937 1.00 52.22 H new ATOM 0 HB2 ASN A 32 13.384 -13.301 8.906 1.00 31.44 H new ATOM 0 HB3 ASN A 32 12.189 -14.370 8.198 1.00 31.44 H new ATOM 0 HD21 ASN A 32 15.697 -15.054 6.863 1.00 34.21 H new ATOM 0 HD22 ASN A 32 15.047 -14.835 8.491 1.00 34.21 H new ATOM 481 N ILE A 33 10.335 -11.840 5.884 1.00 71.03 N ATOM 482 CA ILE A 33 9.286 -12.138 4.918 1.00 72.45 C ATOM 483 C ILE A 33 9.672 -11.665 3.520 1.00 23.44 C ATOM 484 O ILE A 33 10.312 -10.627 3.361 1.00 24.13 O ATOM 485 CB ILE A 33 7.950 -11.484 5.317 1.00 13.22 C ATOM 486 CG1 ILE A 33 7.513 -11.970 6.701 1.00 34.11 C ATOM 487 CG2 ILE A 33 6.880 -11.788 4.280 1.00 74.03 C ATOM 488 CD1 ILE A 33 6.496 -11.067 7.365 1.00 50.11 C ATOM 0 H ILE A 33 10.469 -10.846 6.068 1.00 71.03 H new ATOM 0 HA ILE A 33 9.164 -13.221 4.911 1.00 72.45 H new ATOM 0 HB ILE A 33 8.089 -10.404 5.359 1.00 13.22 H new ATOM 0 HG12 ILE A 33 7.093 -12.972 6.610 1.00 34.11 H new ATOM 0 HG13 ILE A 33 8.390 -12.050 7.343 1.00 34.11 H new ATOM 0 HG21 ILE A 33 5.942 -11.319 4.577 1.00 74.03 H new ATOM 0 HG22 ILE A 33 7.191 -11.397 3.311 1.00 74.03 H new ATOM 0 HG23 ILE A 33 6.739 -12.866 4.208 1.00 74.03 H new ATOM 0 HD11 ILE A 33 6.232 -11.473 8.342 1.00 50.11 H new ATOM 0 HD12 ILE A 33 6.920 -10.070 7.488 1.00 50.11 H new ATOM 0 HD13 ILE A 33 5.602 -11.007 6.744 1.00 50.11 H new ATOM 500 N ASN A 34 9.279 -12.435 2.511 1.00 54.23 N ATOM 501 CA ASN A 34 9.583 -12.093 1.126 1.00 61.02 C ATOM 502 C ASN A 34 8.554 -11.117 0.567 1.00 11.51 C ATOM 503 O ASN A 34 7.588 -11.519 -0.081 1.00 30.21 O ATOM 504 CB ASN A 34 9.624 -13.358 0.265 1.00 51.45 C ATOM 505 CG ASN A 34 10.379 -14.490 0.935 1.00 51.33 C ATOM 506 OD1 ASN A 34 9.828 -15.211 1.767 1.00 54.50 O ATOM 507 ND2 ASN A 34 11.646 -14.649 0.574 1.00 20.34 N ATOM 0 H ASN A 34 8.750 -13.299 2.626 1.00 54.23 H new ATOM 0 HA ASN A 34 10.561 -11.613 1.103 1.00 61.02 H new ATOM 0 HB2 ASN A 34 8.605 -13.681 0.051 1.00 51.45 H new ATOM 0 HB3 ASN A 34 10.093 -13.128 -0.691 1.00 51.45 H new ATOM 0 HD21 ASN A 34 12.205 -15.393 0.990 1.00 20.34 H new ATOM 0 HD22 ASN A 34 12.060 -14.027 -0.120 1.00 20.34 H new ATOM 514 N ALA A 35 8.767 -9.829 0.823 1.00 70.20 N ATOM 515 CA ALA A 35 7.859 -8.795 0.344 1.00 34.22 C ATOM 516 C ALA A 35 8.607 -7.496 0.062 1.00 72.44 C ATOM 517 O ALA A 35 9.714 -7.284 0.558 1.00 31.20 O ATOM 518 CB ALA A 35 6.748 -8.557 1.356 1.00 41.34 C ATOM 0 H ALA A 35 9.561 -9.478 1.359 1.00 70.20 H new ATOM 0 HA ALA A 35 7.416 -9.140 -0.590 1.00 34.22 H new ATOM 0 HB1 ALA A 35 6.077 -7.782 0.985 1.00 41.34 H new ATOM 0 HB2 ALA A 35 6.188 -9.480 1.506 1.00 41.34 H new ATOM 0 HB3 ALA A 35 7.181 -8.238 2.304 1.00 41.34 H new ATOM 524 N THR A 36 7.996 -6.629 -0.740 1.00 33.03 N ATOM 525 CA THR A 36 8.605 -5.352 -1.089 1.00 10.12 C ATOM 526 C THR A 36 7.621 -4.203 -0.900 1.00 13.13 C ATOM 527 O THR A 36 6.406 -4.404 -0.925 1.00 4.01 O ATOM 528 CB THR A 36 9.106 -5.348 -2.546 1.00 22.35 C ATOM 529 OG1 THR A 36 8.552 -6.460 -3.257 1.00 31.11 O ATOM 530 CG2 THR A 36 10.625 -5.415 -2.595 1.00 3.25 C ATOM 0 H THR A 36 7.080 -6.788 -1.160 1.00 33.03 H new ATOM 0 HA THR A 36 9.454 -5.214 -0.419 1.00 10.12 H new ATOM 0 HB THR A 36 8.783 -4.419 -3.016 1.00 22.35 H new ATOM 0 HG1 THR A 36 8.182 -6.151 -4.110 1.00 31.11 H new ATOM 0 HG21 THR A 36 10.956 -5.411 -3.633 1.00 3.25 H new ATOM 0 HG22 THR A 36 11.044 -4.552 -2.077 1.00 3.25 H new ATOM 0 HG23 THR A 36 10.965 -6.330 -2.109 1.00 3.25 H new ATOM 538 N ILE A 37 8.152 -3.000 -0.710 1.00 53.24 N ATOM 539 CA ILE A 37 7.319 -1.819 -0.518 1.00 64.44 C ATOM 540 C ILE A 37 8.007 -0.568 -1.054 1.00 71.10 C ATOM 541 O ILE A 37 9.178 -0.322 -0.769 1.00 45.43 O ATOM 542 CB ILE A 37 6.977 -1.607 0.968 1.00 41.32 C ATOM 543 CG1 ILE A 37 6.106 -0.361 1.140 1.00 13.50 C ATOM 544 CG2 ILE A 37 8.250 -1.488 1.792 1.00 40.20 C ATOM 545 CD1 ILE A 37 5.013 -0.526 2.173 1.00 3.52 C ATOM 0 H ILE A 37 9.155 -2.817 -0.685 1.00 53.24 H new ATOM 0 HA ILE A 37 6.397 -1.989 -1.073 1.00 64.44 H new ATOM 0 HB ILE A 37 6.416 -2.471 1.324 1.00 41.32 H new ATOM 0 HG12 ILE A 37 6.740 0.479 1.424 1.00 13.50 H new ATOM 0 HG13 ILE A 37 5.653 -0.109 0.181 1.00 13.50 H new ATOM 0 HG21 ILE A 37 7.992 -1.338 2.840 1.00 40.20 H new ATOM 0 HG22 ILE A 37 8.837 -2.401 1.689 1.00 40.20 H new ATOM 0 HG23 ILE A 37 8.835 -0.639 1.438 1.00 40.20 H new ATOM 0 HD11 ILE A 37 4.435 0.396 2.242 1.00 3.52 H new ATOM 0 HD12 ILE A 37 4.356 -1.345 1.880 1.00 3.52 H new ATOM 0 HD13 ILE A 37 5.459 -0.748 3.142 1.00 3.52 H new ATOM 557 N GLU A 38 7.269 0.220 -1.832 1.00 21.45 N ATOM 558 CA GLU A 38 7.810 1.446 -2.407 1.00 34.12 C ATOM 559 C GLU A 38 6.721 2.507 -2.544 1.00 33.44 C ATOM 560 O GLU A 38 5.563 2.192 -2.816 1.00 42.34 O ATOM 561 CB GLU A 38 8.436 1.162 -3.773 1.00 42.23 C ATOM 562 CG GLU A 38 9.260 2.317 -4.317 1.00 40.00 C ATOM 563 CD GLU A 38 10.542 1.857 -4.983 1.00 74.50 C ATOM 564 OE1 GLU A 38 10.469 1.336 -6.115 1.00 2.50 O ATOM 565 OE2 GLU A 38 11.618 2.017 -4.370 1.00 23.23 O ATOM 0 H GLU A 38 6.297 0.031 -2.078 1.00 21.45 H new ATOM 0 HA GLU A 38 8.580 1.824 -1.735 1.00 34.12 H new ATOM 0 HB2 GLU A 38 9.070 0.279 -3.696 1.00 42.23 H new ATOM 0 HB3 GLU A 38 7.644 0.925 -4.484 1.00 42.23 H new ATOM 0 HG2 GLU A 38 8.663 2.878 -5.036 1.00 40.00 H new ATOM 0 HG3 GLU A 38 9.503 3.000 -3.503 1.00 40.00 H new ATOM 572 N ALA A 39 7.103 3.765 -2.353 1.00 62.11 N ATOM 573 CA ALA A 39 6.161 4.873 -2.457 1.00 11.01 C ATOM 574 C ALA A 39 6.442 5.718 -3.695 1.00 30.22 C ATOM 575 O ALA A 39 7.585 6.098 -3.951 1.00 72.03 O ATOM 576 CB ALA A 39 6.219 5.735 -1.204 1.00 34.55 C ATOM 0 H ALA A 39 8.058 4.043 -2.125 1.00 62.11 H new ATOM 0 HA ALA A 39 5.158 4.457 -2.553 1.00 11.01 H new ATOM 0 HB1 ALA A 39 5.511 6.558 -1.296 1.00 34.55 H new ATOM 0 HB2 ALA A 39 5.962 5.130 -0.334 1.00 34.55 H new ATOM 0 HB3 ALA A 39 7.226 6.135 -1.084 1.00 34.55 H new ATOM 582 N ILE A 40 5.394 6.008 -4.457 1.00 51.32 N ATOM 583 CA ILE A 40 5.528 6.809 -5.668 1.00 64.42 C ATOM 584 C ILE A 40 4.300 7.685 -5.888 1.00 73.54 C ATOM 585 O ILE A 40 3.374 7.687 -5.078 1.00 15.12 O ATOM 586 CB ILE A 40 5.742 5.922 -6.909 1.00 21.34 C ATOM 587 CG1 ILE A 40 4.640 4.864 -7.001 1.00 23.20 C ATOM 588 CG2 ILE A 40 7.113 5.264 -6.861 1.00 32.14 C ATOM 589 CD1 ILE A 40 3.818 4.956 -8.268 1.00 2.13 C ATOM 0 H ILE A 40 4.442 5.701 -4.258 1.00 51.32 H new ATOM 0 HA ILE A 40 6.403 7.444 -5.530 1.00 64.42 H new ATOM 0 HB ILE A 40 5.694 6.550 -7.799 1.00 21.34 H new ATOM 0 HG12 ILE A 40 5.092 3.874 -6.942 1.00 23.20 H new ATOM 0 HG13 ILE A 40 3.979 4.964 -6.140 1.00 23.20 H new ATOM 0 HG21 ILE A 40 7.249 4.641 -7.745 1.00 32.14 H new ATOM 0 HG22 ILE A 40 7.885 6.033 -6.837 1.00 32.14 H new ATOM 0 HG23 ILE A 40 7.189 4.646 -5.966 1.00 32.14 H new ATOM 0 HD11 ILE A 40 3.057 4.176 -8.265 1.00 2.13 H new ATOM 0 HD12 ILE A 40 3.337 5.933 -8.319 1.00 2.13 H new ATOM 0 HD13 ILE A 40 4.468 4.826 -9.133 1.00 2.13 H new ATOM 601 N ALA A 41 4.298 8.426 -6.991 1.00 61.42 N ATOM 602 CA ALA A 41 3.182 9.303 -7.320 1.00 73.43 C ATOM 603 C ALA A 41 2.123 8.563 -8.131 1.00 12.21 C ATOM 604 O ALA A 41 2.414 7.558 -8.777 1.00 72.40 O ATOM 605 CB ALA A 41 3.675 10.523 -8.083 1.00 5.21 C ATOM 0 H ALA A 41 5.057 8.436 -7.672 1.00 61.42 H new ATOM 0 HA ALA A 41 2.725 9.632 -6.387 1.00 73.43 H new ATOM 0 HB1 ALA A 41 2.830 11.169 -8.322 1.00 5.21 H new ATOM 0 HB2 ALA A 41 4.389 11.072 -7.469 1.00 5.21 H new ATOM 0 HB3 ALA A 41 4.160 10.204 -9.006 1.00 5.21 H new ATOM 611 N GLU A 42 0.894 9.067 -8.091 1.00 15.43 N ATOM 612 CA GLU A 42 -0.209 8.452 -8.821 1.00 43.22 C ATOM 613 C GLU A 42 0.094 8.397 -10.316 1.00 53.43 C ATOM 614 O GLU A 42 -0.448 7.561 -11.041 1.00 22.21 O ATOM 615 CB GLU A 42 -1.505 9.227 -8.580 1.00 13.53 C ATOM 616 CG GLU A 42 -1.411 10.699 -8.944 1.00 51.21 C ATOM 617 CD GLU A 42 -1.283 11.595 -7.727 1.00 11.15 C ATOM 618 OE1 GLU A 42 -2.328 12.028 -7.197 1.00 51.14 O ATOM 619 OE2 GLU A 42 -0.139 11.862 -7.303 1.00 55.05 O ATOM 0 H GLU A 42 0.637 9.900 -7.561 1.00 15.43 H new ATOM 0 HA GLU A 42 -0.331 7.433 -8.454 1.00 43.22 H new ATOM 0 HB2 GLU A 42 -2.306 8.768 -9.160 1.00 13.53 H new ATOM 0 HB3 GLU A 42 -1.781 9.138 -7.529 1.00 13.53 H new ATOM 0 HG2 GLU A 42 -0.551 10.854 -9.596 1.00 51.21 H new ATOM 0 HG3 GLU A 42 -2.297 10.986 -9.510 1.00 51.21 H new ATOM 626 N THR A 43 0.961 9.295 -10.772 1.00 50.31 N ATOM 627 CA THR A 43 1.334 9.350 -12.180 1.00 4.21 C ATOM 628 C THR A 43 1.983 8.046 -12.628 1.00 54.25 C ATOM 629 O THR A 43 1.767 7.589 -13.751 1.00 52.22 O ATOM 630 CB THR A 43 2.305 10.514 -12.459 1.00 12.31 C ATOM 631 OG1 THR A 43 2.668 10.529 -13.843 1.00 61.13 O ATOM 632 CG2 THR A 43 3.555 10.394 -11.601 1.00 23.20 C ATOM 0 H THR A 43 1.418 9.994 -10.187 1.00 50.31 H new ATOM 0 HA THR A 43 0.415 9.509 -12.744 1.00 4.21 H new ATOM 0 HB THR A 43 1.800 11.447 -12.207 1.00 12.31 H new ATOM 0 HG1 THR A 43 3.284 11.272 -14.012 1.00 61.13 H new ATOM 0 HG21 THR A 43 4.225 11.227 -11.816 1.00 23.20 H new ATOM 0 HG22 THR A 43 3.276 10.415 -10.547 1.00 23.20 H new ATOM 0 HG23 THR A 43 4.061 9.455 -11.824 1.00 23.20 H new ATOM 640 N ARG A 44 2.776 7.450 -11.745 1.00 2.10 N ATOM 641 CA ARG A 44 3.456 6.197 -12.052 1.00 3.21 C ATOM 642 C ARG A 44 2.838 5.039 -11.274 1.00 2.11 C ATOM 643 O ARG A 44 3.445 3.975 -11.136 1.00 15.31 O ATOM 644 CB ARG A 44 4.947 6.307 -11.724 1.00 53.52 C ATOM 645 CG ARG A 44 5.754 7.022 -12.796 1.00 32.52 C ATOM 646 CD ARG A 44 6.998 7.674 -12.214 1.00 62.10 C ATOM 647 NE ARG A 44 7.215 9.016 -12.748 1.00 74.14 N ATOM 648 CZ ARG A 44 8.076 9.884 -12.230 1.00 73.40 C ATOM 649 NH1 ARG A 44 8.798 9.552 -11.169 1.00 3.21 N ATOM 650 NH2 ARG A 44 8.216 11.086 -12.774 1.00 32.34 N ATOM 0 H ARG A 44 2.964 7.814 -10.811 1.00 2.10 H new ATOM 0 HA ARG A 44 3.339 6.001 -13.118 1.00 3.21 H new ATOM 0 HB2 ARG A 44 5.065 6.837 -10.779 1.00 53.52 H new ATOM 0 HB3 ARG A 44 5.354 5.306 -11.581 1.00 53.52 H new ATOM 0 HG2 ARG A 44 6.043 6.311 -13.570 1.00 32.52 H new ATOM 0 HG3 ARG A 44 5.134 7.780 -13.274 1.00 32.52 H new ATOM 0 HD2 ARG A 44 6.906 7.726 -11.129 1.00 62.10 H new ATOM 0 HD3 ARG A 44 7.867 7.053 -12.430 1.00 62.10 H new ATOM 0 HE ARG A 44 6.675 9.302 -13.565 1.00 74.14 H new ATOM 0 HH11 ARG A 44 8.693 8.628 -10.749 1.00 3.21 H new ATOM 0 HH12 ARG A 44 9.459 10.220 -10.773 1.00 3.21 H new ATOM 0 HH21 ARG A 44 7.662 11.344 -13.591 1.00 32.34 H new ATOM 0 HH22 ARG A 44 8.878 11.752 -12.375 1.00 32.34 H new ATOM 664 N LEU A 45 1.629 5.252 -10.766 1.00 1.31 N ATOM 665 CA LEU A 45 0.929 4.226 -10.001 1.00 13.10 C ATOM 666 C LEU A 45 0.406 3.125 -10.918 1.00 22.00 C ATOM 667 O LEU A 45 0.712 1.948 -10.727 1.00 74.42 O ATOM 668 CB LEU A 45 -0.230 4.847 -9.220 1.00 41.31 C ATOM 669 CG LEU A 45 -1.292 3.874 -8.707 1.00 14.23 C ATOM 670 CD1 LEU A 45 -1.713 4.239 -7.292 1.00 65.20 C ATOM 671 CD2 LEU A 45 -2.497 3.863 -9.637 1.00 21.53 C ATOM 0 H LEU A 45 1.113 6.126 -10.870 1.00 1.31 H new ATOM 0 HA LEU A 45 1.637 3.784 -9.300 1.00 13.10 H new ATOM 0 HB2 LEU A 45 0.181 5.387 -8.367 1.00 41.31 H new ATOM 0 HB3 LEU A 45 -0.719 5.583 -9.858 1.00 41.31 H new ATOM 0 HG LEU A 45 -0.861 2.873 -8.689 1.00 14.23 H new ATOM 0 HD11 LEU A 45 -2.469 3.535 -6.944 1.00 65.20 H new ATOM 0 HD12 LEU A 45 -0.847 4.196 -6.632 1.00 65.20 H new ATOM 0 HD13 LEU A 45 -2.125 5.248 -7.284 1.00 65.20 H new ATOM 0 HD21 LEU A 45 -3.243 3.165 -9.257 1.00 21.53 H new ATOM 0 HD22 LEU A 45 -2.927 4.863 -9.687 1.00 21.53 H new ATOM 0 HD23 LEU A 45 -2.184 3.553 -10.634 1.00 21.53 H new ATOM 683 N SER A 46 -0.382 3.516 -11.915 1.00 63.12 N ATOM 684 CA SER A 46 -0.947 2.562 -12.861 1.00 15.41 C ATOM 685 C SER A 46 0.120 2.054 -13.825 1.00 72.01 C ATOM 686 O SER A 46 -0.101 1.093 -14.561 1.00 2.43 O ATOM 687 CB SER A 46 -2.093 3.207 -13.644 1.00 1.21 C ATOM 688 OG SER A 46 -3.318 3.095 -12.941 1.00 1.42 O ATOM 0 H SER A 46 -0.643 4.487 -12.088 1.00 63.12 H new ATOM 0 HA SER A 46 -1.334 1.714 -12.296 1.00 15.41 H new ATOM 0 HB2 SER A 46 -1.868 4.258 -13.824 1.00 1.21 H new ATOM 0 HB3 SER A 46 -2.185 2.729 -14.619 1.00 1.21 H new ATOM 0 HG SER A 46 -4.034 3.516 -13.462 1.00 1.42 H new ATOM 694 N GLU A 47 1.277 2.708 -13.815 1.00 24.10 N ATOM 695 CA GLU A 47 2.380 2.323 -14.689 1.00 12.23 C ATOM 696 C GLU A 47 3.249 1.256 -14.030 1.00 72.34 C ATOM 697 O GLU A 47 3.941 0.497 -14.709 1.00 10.21 O ATOM 698 CB GLU A 47 3.231 3.545 -15.040 1.00 13.31 C ATOM 699 CG GLU A 47 2.971 4.087 -16.436 1.00 40.30 C ATOM 700 CD GLU A 47 3.972 3.578 -17.455 1.00 31.31 C ATOM 701 OE1 GLU A 47 5.188 3.754 -17.231 1.00 15.43 O ATOM 702 OE2 GLU A 47 3.540 3.004 -18.476 1.00 40.45 O ATOM 0 H GLU A 47 1.475 3.506 -13.212 1.00 24.10 H new ATOM 0 HA GLU A 47 1.958 1.908 -15.604 1.00 12.23 H new ATOM 0 HB2 GLU A 47 3.038 4.333 -14.312 1.00 13.31 H new ATOM 0 HB3 GLU A 47 4.285 3.281 -14.952 1.00 13.31 H new ATOM 0 HG2 GLU A 47 1.965 3.807 -16.749 1.00 40.30 H new ATOM 0 HG3 GLU A 47 3.005 5.176 -16.411 1.00 40.30 H new ATOM 709 N VAL A 48 3.208 1.204 -12.703 1.00 43.20 N ATOM 710 CA VAL A 48 3.991 0.230 -11.951 1.00 61.13 C ATOM 711 C VAL A 48 3.096 -0.845 -11.346 1.00 63.31 C ATOM 712 O VAL A 48 3.553 -1.943 -11.030 1.00 24.21 O ATOM 713 CB VAL A 48 4.797 0.906 -10.825 1.00 73.32 C ATOM 714 CG1 VAL A 48 5.678 2.011 -11.388 1.00 74.10 C ATOM 715 CG2 VAL A 48 3.862 1.451 -9.756 1.00 21.31 C ATOM 0 H VAL A 48 2.641 1.825 -12.126 1.00 43.20 H new ATOM 0 HA VAL A 48 4.683 -0.232 -12.656 1.00 61.13 H new ATOM 0 HB VAL A 48 5.443 0.159 -10.364 1.00 73.32 H new ATOM 0 HG11 VAL A 48 6.240 2.477 -10.578 1.00 74.10 H new ATOM 0 HG12 VAL A 48 6.372 1.588 -12.115 1.00 74.10 H new ATOM 0 HG13 VAL A 48 5.055 2.761 -11.875 1.00 74.10 H new ATOM 0 HG21 VAL A 48 4.447 1.925 -8.968 1.00 21.31 H new ATOM 0 HG22 VAL A 48 3.190 2.185 -10.200 1.00 21.31 H new ATOM 0 HG23 VAL A 48 3.278 0.634 -9.332 1.00 21.31 H new ATOM 725 N VAL A 49 1.816 -0.522 -11.188 1.00 21.33 N ATOM 726 CA VAL A 49 0.856 -1.461 -10.621 1.00 34.22 C ATOM 727 C VAL A 49 0.913 -2.806 -11.338 1.00 10.24 C ATOM 728 O VAL A 49 0.642 -3.849 -10.744 1.00 63.14 O ATOM 729 CB VAL A 49 -0.581 -0.911 -10.700 1.00 44.42 C ATOM 730 CG1 VAL A 49 -1.050 -0.849 -12.146 1.00 60.12 C ATOM 731 CG2 VAL A 49 -1.523 -1.759 -9.861 1.00 31.14 C ATOM 0 H VAL A 49 1.420 0.382 -11.445 1.00 21.33 H new ATOM 0 HA VAL A 49 1.128 -1.598 -9.574 1.00 34.22 H new ATOM 0 HB VAL A 49 -0.586 0.102 -10.298 1.00 44.42 H new ATOM 0 HG11 VAL A 49 -2.067 -0.458 -12.182 1.00 60.12 H new ATOM 0 HG12 VAL A 49 -0.389 -0.195 -12.715 1.00 60.12 H new ATOM 0 HG13 VAL A 49 -1.030 -1.849 -12.578 1.00 60.12 H new ATOM 0 HG21 VAL A 49 -2.533 -1.356 -9.929 1.00 31.14 H new ATOM 0 HG22 VAL A 49 -1.516 -2.784 -10.230 1.00 31.14 H new ATOM 0 HG23 VAL A 49 -1.196 -1.746 -8.821 1.00 31.14 H new ATOM 741 N ASP A 50 1.269 -2.773 -12.618 1.00 1.12 N ATOM 742 CA ASP A 50 1.364 -3.989 -13.416 1.00 72.43 C ATOM 743 C ASP A 50 2.257 -5.020 -12.732 1.00 14.43 C ATOM 744 O ASP A 50 2.077 -6.225 -12.908 1.00 74.22 O ATOM 745 CB ASP A 50 1.909 -3.669 -14.809 1.00 33.24 C ATOM 746 CG ASP A 50 1.976 -4.894 -15.700 1.00 54.42 C ATOM 747 OD1 ASP A 50 1.087 -5.764 -15.580 1.00 5.12 O ATOM 748 OD2 ASP A 50 2.916 -4.983 -16.516 1.00 30.30 O ATOM 0 H ASP A 50 1.496 -1.917 -13.124 1.00 1.12 H new ATOM 0 HA ASP A 50 0.363 -4.409 -13.513 1.00 72.43 H new ATOM 0 HB2 ASP A 50 1.277 -2.916 -15.279 1.00 33.24 H new ATOM 0 HB3 ASP A 50 2.905 -3.236 -14.716 1.00 33.24 H new ATOM 753 N ARG A 51 3.218 -4.537 -11.952 1.00 72.22 N ATOM 754 CA ARG A 51 4.140 -5.417 -11.243 1.00 71.32 C ATOM 755 C ARG A 51 3.724 -5.579 -9.784 1.00 50.25 C ATOM 756 O ARG A 51 3.717 -6.688 -9.249 1.00 14.21 O ATOM 757 CB ARG A 51 5.565 -4.866 -11.320 1.00 64.04 C ATOM 758 CG ARG A 51 6.037 -4.594 -12.739 1.00 15.23 C ATOM 759 CD ARG A 51 7.066 -5.618 -13.190 1.00 71.22 C ATOM 760 NE ARG A 51 6.611 -6.988 -12.963 1.00 54.40 N ATOM 761 CZ ARG A 51 7.346 -8.060 -13.231 1.00 61.44 C ATOM 762 NH1 ARG A 51 8.566 -7.924 -13.734 1.00 14.43 N ATOM 763 NH2 ARG A 51 6.862 -9.273 -12.998 1.00 30.33 N ATOM 0 H ARG A 51 3.379 -3.542 -11.795 1.00 72.22 H new ATOM 0 HA ARG A 51 4.110 -6.396 -11.722 1.00 71.32 H new ATOM 0 HB2 ARG A 51 5.620 -3.942 -10.745 1.00 64.04 H new ATOM 0 HB3 ARG A 51 6.246 -5.575 -10.849 1.00 64.04 H new ATOM 0 HG2 ARG A 51 5.184 -4.611 -13.417 1.00 15.23 H new ATOM 0 HG3 ARG A 51 6.468 -3.594 -12.795 1.00 15.23 H new ATOM 0 HD2 ARG A 51 7.277 -5.477 -14.250 1.00 71.22 H new ATOM 0 HD3 ARG A 51 8.001 -5.453 -12.654 1.00 71.22 H new ATOM 0 HE ARG A 51 5.677 -7.128 -12.577 1.00 54.40 H new ATOM 0 HH11 ARG A 51 8.942 -6.993 -13.916 1.00 14.43 H new ATOM 0 HH12 ARG A 51 9.128 -8.750 -13.939 1.00 14.43 H new ATOM 0 HH21 ARG A 51 5.924 -9.382 -12.612 1.00 30.33 H new ATOM 0 HH22 ARG A 51 7.428 -10.096 -13.204 1.00 30.33 H new ATOM 777 N PHE A 52 3.379 -4.466 -9.145 1.00 41.33 N ATOM 778 CA PHE A 52 2.963 -4.483 -7.748 1.00 13.11 C ATOM 779 C PHE A 52 1.756 -5.396 -7.551 1.00 51.21 C ATOM 780 O PHE A 52 1.279 -6.025 -8.496 1.00 3.41 O ATOM 781 CB PHE A 52 2.628 -3.067 -7.275 1.00 62.01 C ATOM 782 CG PHE A 52 3.839 -2.254 -6.914 1.00 41.21 C ATOM 783 CD1 PHE A 52 4.369 -2.307 -5.635 1.00 44.13 C ATOM 784 CD2 PHE A 52 4.446 -1.436 -7.854 1.00 54.24 C ATOM 785 CE1 PHE A 52 5.484 -1.561 -5.300 1.00 55.45 C ATOM 786 CE2 PHE A 52 5.560 -0.688 -7.525 1.00 0.35 C ATOM 787 CZ PHE A 52 6.078 -0.750 -6.246 1.00 4.33 C ATOM 0 H PHE A 52 3.379 -3.540 -9.573 1.00 41.33 H new ATOM 0 HA PHE A 52 3.791 -4.870 -7.154 1.00 13.11 H new ATOM 0 HB2 PHE A 52 2.075 -2.551 -8.060 1.00 62.01 H new ATOM 0 HB3 PHE A 52 1.970 -3.128 -6.409 1.00 62.01 H new ATOM 0 HD1 PHE A 52 3.906 -2.938 -4.891 1.00 44.13 H new ATOM 0 HD2 PHE A 52 4.044 -1.383 -8.855 1.00 54.24 H new ATOM 0 HE1 PHE A 52 5.889 -1.613 -4.300 1.00 55.45 H new ATOM 0 HE2 PHE A 52 6.025 -0.056 -8.267 1.00 0.35 H new ATOM 0 HZ PHE A 52 6.947 -0.164 -5.986 1.00 4.33 H new ATOM 797 N ASP A 53 1.266 -5.461 -6.318 1.00 1.21 N ATOM 798 CA ASP A 53 0.114 -6.295 -5.996 1.00 70.40 C ATOM 799 C ASP A 53 -0.998 -5.465 -5.364 1.00 12.21 C ATOM 800 O ASP A 53 -2.113 -5.403 -5.882 1.00 32.32 O ATOM 801 CB ASP A 53 0.525 -7.426 -5.051 1.00 54.11 C ATOM 802 CG ASP A 53 1.026 -8.649 -5.794 1.00 13.43 C ATOM 803 OD1 ASP A 53 0.377 -9.050 -6.784 1.00 34.14 O ATOM 804 OD2 ASP A 53 2.067 -9.204 -5.387 1.00 44.41 O ATOM 0 H ASP A 53 1.649 -4.946 -5.525 1.00 1.21 H new ATOM 0 HA ASP A 53 -0.263 -6.726 -6.924 1.00 70.40 H new ATOM 0 HB2 ASP A 53 1.305 -7.068 -4.379 1.00 54.11 H new ATOM 0 HB3 ASP A 53 -0.327 -7.705 -4.431 1.00 54.11 H new ATOM 809 N VAL A 54 -0.688 -4.829 -4.239 1.00 12.22 N ATOM 810 CA VAL A 54 -1.661 -4.002 -3.534 1.00 44.43 C ATOM 811 C VAL A 54 -1.318 -2.522 -3.661 1.00 13.20 C ATOM 812 O VAL A 54 -0.147 -2.144 -3.675 1.00 52.25 O ATOM 813 CB VAL A 54 -1.738 -4.374 -2.042 1.00 33.32 C ATOM 814 CG1 VAL A 54 -2.426 -5.719 -1.861 1.00 44.45 C ATOM 815 CG2 VAL A 54 -0.347 -4.390 -1.425 1.00 13.33 C ATOM 0 H VAL A 54 0.230 -4.870 -3.796 1.00 12.22 H new ATOM 0 HA VAL A 54 -2.630 -4.189 -3.997 1.00 44.43 H new ATOM 0 HB VAL A 54 -2.331 -3.618 -1.527 1.00 33.32 H new ATOM 0 HG11 VAL A 54 -2.471 -5.965 -0.800 1.00 44.45 H new ATOM 0 HG12 VAL A 54 -3.437 -5.668 -2.265 1.00 44.45 H new ATOM 0 HG13 VAL A 54 -1.863 -6.489 -2.388 1.00 44.45 H new ATOM 0 HG21 VAL A 54 -0.420 -4.655 -0.370 1.00 13.33 H new ATOM 0 HG22 VAL A 54 0.272 -5.124 -1.941 1.00 13.33 H new ATOM 0 HG23 VAL A 54 0.105 -3.403 -1.521 1.00 13.33 H new ATOM 825 N VAL A 55 -2.349 -1.687 -3.753 1.00 23.14 N ATOM 826 CA VAL A 55 -2.158 -0.247 -3.876 1.00 65.40 C ATOM 827 C VAL A 55 -2.865 0.500 -2.751 1.00 43.11 C ATOM 828 O VAL A 55 -4.087 0.652 -2.765 1.00 30.24 O ATOM 829 CB VAL A 55 -2.678 0.274 -5.230 1.00 2.02 C ATOM 830 CG1 VAL A 55 -2.386 1.759 -5.378 1.00 32.21 C ATOM 831 CG2 VAL A 55 -2.063 -0.515 -6.375 1.00 70.52 C ATOM 0 H VAL A 55 -3.325 -1.984 -3.745 1.00 23.14 H new ATOM 0 HA VAL A 55 -1.086 -0.063 -3.811 1.00 65.40 H new ATOM 0 HB VAL A 55 -3.759 0.136 -5.263 1.00 2.02 H new ATOM 0 HG11 VAL A 55 -2.760 2.109 -6.340 1.00 32.21 H new ATOM 0 HG12 VAL A 55 -2.878 2.308 -4.575 1.00 32.21 H new ATOM 0 HG13 VAL A 55 -1.310 1.925 -5.325 1.00 32.21 H new ATOM 0 HG21 VAL A 55 -2.441 -0.134 -7.324 1.00 70.52 H new ATOM 0 HG22 VAL A 55 -0.978 -0.410 -6.348 1.00 70.52 H new ATOM 0 HG23 VAL A 55 -2.328 -1.568 -6.275 1.00 70.52 H new ATOM 841 N LEU A 56 -2.089 0.965 -1.778 1.00 55.24 N ATOM 842 CA LEU A 56 -2.640 1.698 -0.644 1.00 73.22 C ATOM 843 C LEU A 56 -2.413 3.198 -0.802 1.00 3.22 C ATOM 844 O LEU A 56 -1.340 3.633 -1.224 1.00 31.14 O ATOM 845 CB LEU A 56 -2.008 1.209 0.661 1.00 72.24 C ATOM 846 CG LEU A 56 -1.948 -0.307 0.850 1.00 14.25 C ATOM 847 CD1 LEU A 56 -1.723 -0.652 2.314 1.00 63.55 C ATOM 848 CD2 LEU A 56 -3.224 -0.959 0.337 1.00 72.44 C ATOM 0 H LEU A 56 -1.076 0.847 -1.752 1.00 55.24 H new ATOM 0 HA LEU A 56 -3.714 1.514 -0.612 1.00 73.22 H new ATOM 0 HB2 LEU A 56 -0.993 1.603 0.720 1.00 72.24 H new ATOM 0 HB3 LEU A 56 -2.565 1.637 1.494 1.00 72.24 H new ATOM 0 HG LEU A 56 -1.108 -0.694 0.272 1.00 14.25 H new ATOM 0 HD11 LEU A 56 -1.683 -1.735 2.431 1.00 63.55 H new ATOM 0 HD12 LEU A 56 -0.782 -0.216 2.650 1.00 63.55 H new ATOM 0 HD13 LEU A 56 -2.542 -0.253 2.912 1.00 63.55 H new ATOM 0 HD21 LEU A 56 -3.164 -2.038 0.479 1.00 72.44 H new ATOM 0 HD22 LEU A 56 -4.079 -0.567 0.887 1.00 72.44 H new ATOM 0 HD23 LEU A 56 -3.344 -0.739 -0.724 1.00 72.44 H new ATOM 860 N LEU A 57 -3.428 3.984 -0.460 1.00 42.41 N ATOM 861 CA LEU A 57 -3.338 5.437 -0.562 1.00 24.34 C ATOM 862 C LEU A 57 -3.050 6.061 0.800 1.00 25.45 C ATOM 863 O LEU A 57 -3.405 5.502 1.838 1.00 51.41 O ATOM 864 CB LEU A 57 -4.636 6.008 -1.133 1.00 41.45 C ATOM 865 CG LEU A 57 -4.757 7.533 -1.128 1.00 75.42 C ATOM 866 CD1 LEU A 57 -3.697 8.155 -2.022 1.00 44.43 C ATOM 867 CD2 LEU A 57 -6.149 7.959 -1.572 1.00 51.20 C ATOM 0 H LEU A 57 -4.322 3.640 -0.110 1.00 42.41 H new ATOM 0 HA LEU A 57 -2.515 5.680 -1.234 1.00 24.34 H new ATOM 0 HB2 LEU A 57 -4.743 5.658 -2.160 1.00 41.45 H new ATOM 0 HB3 LEU A 57 -5.471 5.595 -0.567 1.00 41.45 H new ATOM 0 HG LEU A 57 -4.598 7.888 -0.110 1.00 75.42 H new ATOM 0 HD11 LEU A 57 -3.799 9.240 -2.006 1.00 44.43 H new ATOM 0 HD12 LEU A 57 -2.707 7.878 -1.660 1.00 44.43 H new ATOM 0 HD13 LEU A 57 -3.824 7.794 -3.043 1.00 44.43 H new ATOM 0 HD21 LEU A 57 -6.217 9.047 -1.562 1.00 51.20 H new ATOM 0 HD22 LEU A 57 -6.337 7.593 -2.581 1.00 51.20 H new ATOM 0 HD23 LEU A 57 -6.891 7.543 -0.891 1.00 51.20 H new ATOM 879 N ALA A 58 -2.406 7.223 0.788 1.00 3.31 N ATOM 880 CA ALA A 58 -2.074 7.926 2.022 1.00 73.12 C ATOM 881 C ALA A 58 -3.187 8.888 2.422 1.00 74.32 C ATOM 882 O ALA A 58 -4.026 9.277 1.609 1.00 14.20 O ATOM 883 CB ALA A 58 -0.758 8.673 1.866 1.00 23.30 C ATOM 0 H ALA A 58 -2.103 7.698 -0.062 1.00 3.31 H new ATOM 0 HA ALA A 58 -1.967 7.186 2.815 1.00 73.12 H new ATOM 0 HB1 ALA A 58 -0.523 9.193 2.795 1.00 23.30 H new ATOM 0 HB2 ALA A 58 0.037 7.964 1.635 1.00 23.30 H new ATOM 0 HB3 ALA A 58 -0.845 9.397 1.056 1.00 23.30 H new ATOM 889 N PRO A 59 -3.198 9.282 3.704 1.00 22.53 N ATOM 890 CA PRO A 59 -4.203 10.203 4.241 1.00 51.32 C ATOM 891 C PRO A 59 -4.035 11.620 3.706 1.00 2.20 C ATOM 892 O PRO A 59 -3.052 11.925 3.031 1.00 53.24 O ATOM 893 CB PRO A 59 -3.947 10.167 5.750 1.00 35.01 C ATOM 894 CG PRO A 59 -2.515 9.778 5.882 1.00 13.14 C ATOM 895 CD PRO A 59 -2.229 8.857 4.729 1.00 2.21 C ATOM 0 HA PRO A 59 -5.215 9.911 3.959 1.00 51.32 H new ATOM 0 HB2 PRO A 59 -4.137 11.138 6.207 1.00 35.01 H new ATOM 0 HB3 PRO A 59 -4.600 9.448 6.245 1.00 35.01 H new ATOM 0 HG2 PRO A 59 -1.868 10.655 5.851 1.00 13.14 H new ATOM 0 HG3 PRO A 59 -2.332 9.280 6.834 1.00 13.14 H new ATOM 0 HD2 PRO A 59 -1.202 8.959 4.378 1.00 2.21 H new ATOM 0 HD3 PRO A 59 -2.369 7.812 5.005 1.00 2.21 H new ATOM 903 N GLN A 60 -5.000 12.483 4.012 1.00 23.42 N ATOM 904 CA GLN A 60 -4.956 13.868 3.560 1.00 60.24 C ATOM 905 C GLN A 60 -5.021 13.947 2.039 1.00 70.34 C ATOM 906 O GLN A 60 -4.169 14.567 1.402 1.00 0.03 O ATOM 907 CB GLN A 60 -3.684 14.552 4.064 1.00 42.41 C ATOM 908 CG GLN A 60 -3.384 14.275 5.528 1.00 3.34 C ATOM 909 CD GLN A 60 -3.028 15.531 6.299 1.00 30.32 C ATOM 910 OE1 GLN A 60 -1.977 16.132 6.077 1.00 1.23 O ATOM 911 NE2 GLN A 60 -3.905 15.935 7.211 1.00 42.02 N ATOM 0 H GLN A 60 -5.820 12.247 4.570 1.00 23.42 H new ATOM 0 HA GLN A 60 -5.824 14.384 3.970 1.00 60.24 H new ATOM 0 HB2 GLN A 60 -2.839 14.221 3.460 1.00 42.41 H new ATOM 0 HB3 GLN A 60 -3.778 15.628 3.918 1.00 42.41 H new ATOM 0 HG2 GLN A 60 -4.252 13.804 5.990 1.00 3.34 H new ATOM 0 HG3 GLN A 60 -2.560 13.565 5.598 1.00 3.34 H new ATOM 0 HE21 GLN A 60 -4.764 15.406 7.362 1.00 42.02 H new ATOM 0 HE22 GLN A 60 -3.720 16.774 7.760 1.00 42.02 H new ATOM 920 N SER A 61 -6.038 13.314 1.460 1.00 0.35 N ATOM 921 CA SER A 61 -6.211 13.309 0.013 1.00 1.41 C ATOM 922 C SER A 61 -7.577 13.871 -0.373 1.00 2.33 C ATOM 923 O SER A 61 -8.609 13.415 0.119 1.00 12.51 O ATOM 924 CB SER A 61 -6.059 11.889 -0.535 1.00 43.21 C ATOM 925 OG SER A 61 -6.692 10.945 0.310 1.00 54.41 O ATOM 0 H SER A 61 -6.754 12.798 1.972 1.00 0.35 H new ATOM 0 HA SER A 61 -5.439 13.944 -0.422 1.00 1.41 H new ATOM 0 HB2 SER A 61 -6.490 11.834 -1.534 1.00 43.21 H new ATOM 0 HB3 SER A 61 -5.001 11.644 -0.630 1.00 43.21 H new ATOM 0 HG SER A 61 -7.552 11.303 0.614 1.00 54.41 H new ATOM 931 N ARG A 62 -7.572 14.865 -1.255 1.00 55.13 N ATOM 932 CA ARG A 62 -8.810 15.491 -1.705 1.00 64.15 C ATOM 933 C ARG A 62 -9.344 14.800 -2.957 1.00 31.51 C ATOM 934 O ARG A 62 -10.406 14.176 -2.928 1.00 51.30 O ATOM 935 CB ARG A 62 -8.580 16.976 -1.990 1.00 53.34 C ATOM 936 CG ARG A 62 -9.852 17.808 -1.953 1.00 32.44 C ATOM 937 CD ARG A 62 -9.568 19.274 -2.237 1.00 61.01 C ATOM 938 NE ARG A 62 -8.724 19.878 -1.210 1.00 32.23 N ATOM 939 CZ ARG A 62 -8.313 21.140 -1.245 1.00 24.11 C ATOM 940 NH1 ARG A 62 -8.667 21.929 -2.251 1.00 24.44 N ATOM 941 NH2 ARG A 62 -7.546 21.617 -0.272 1.00 74.43 N ATOM 0 H ARG A 62 -6.726 15.254 -1.672 1.00 55.13 H new ATOM 0 HA ARG A 62 -9.549 15.390 -0.910 1.00 64.15 H new ATOM 0 HB2 ARG A 62 -7.875 17.373 -1.259 1.00 53.34 H new ATOM 0 HB3 ARG A 62 -8.115 17.081 -2.970 1.00 53.34 H new ATOM 0 HG2 ARG A 62 -10.560 17.425 -2.688 1.00 32.44 H new ATOM 0 HG3 ARG A 62 -10.323 17.711 -0.975 1.00 32.44 H new ATOM 0 HD2 ARG A 62 -9.080 19.367 -3.207 1.00 61.01 H new ATOM 0 HD3 ARG A 62 -10.509 19.820 -2.299 1.00 61.01 H new ATOM 0 HE ARG A 62 -8.434 19.298 -0.422 1.00 32.23 H new ATOM 0 HH11 ARG A 62 -9.257 21.567 -3.000 1.00 24.44 H new ATOM 0 HH12 ARG A 62 -8.350 22.898 -2.275 1.00 24.44 H new ATOM 0 HH21 ARG A 62 -7.272 21.014 0.503 1.00 74.43 H new ATOM 0 HH22 ARG A 62 -7.231 22.587 -0.300 1.00 74.43 H new ATOM 955 N PHE A 63 -8.602 14.914 -4.053 1.00 34.34 N ATOM 956 CA PHE A 63 -9.003 14.301 -5.314 1.00 24.53 C ATOM 957 C PHE A 63 -8.240 13.001 -5.553 1.00 24.50 C ATOM 958 O PHE A 63 -8.672 12.149 -6.328 1.00 34.33 O ATOM 959 CB PHE A 63 -8.759 15.268 -6.475 1.00 33.14 C ATOM 960 CG PHE A 63 -9.406 16.610 -6.281 1.00 43.24 C ATOM 961 CD1 PHE A 63 -10.778 16.756 -6.403 1.00 50.32 C ATOM 962 CD2 PHE A 63 -8.641 17.725 -5.979 1.00 21.24 C ATOM 963 CE1 PHE A 63 -11.375 17.990 -6.227 1.00 13.43 C ATOM 964 CE2 PHE A 63 -9.233 18.961 -5.801 1.00 3.44 C ATOM 965 CZ PHE A 63 -10.601 19.094 -5.924 1.00 61.53 C ATOM 0 H PHE A 63 -7.720 15.425 -4.094 1.00 34.34 H new ATOM 0 HA PHE A 63 -10.067 14.073 -5.257 1.00 24.53 H new ATOM 0 HB2 PHE A 63 -7.685 15.406 -6.604 1.00 33.14 H new ATOM 0 HB3 PHE A 63 -9.135 14.821 -7.395 1.00 33.14 H new ATOM 0 HD1 PHE A 63 -11.388 15.896 -6.638 1.00 50.32 H new ATOM 0 HD2 PHE A 63 -7.570 17.627 -5.882 1.00 21.24 H new ATOM 0 HE1 PHE A 63 -12.446 18.091 -6.326 1.00 13.43 H new ATOM 0 HE2 PHE A 63 -8.625 19.822 -5.566 1.00 3.44 H new ATOM 0 HZ PHE A 63 -11.066 20.059 -5.784 1.00 61.53 H new ATOM 975 N ASN A 64 -7.102 12.856 -4.881 1.00 51.32 N ATOM 976 CA ASN A 64 -6.279 11.661 -5.021 1.00 3.23 C ATOM 977 C ASN A 64 -7.110 10.400 -4.813 1.00 61.12 C ATOM 978 O ASN A 64 -7.163 9.527 -5.680 1.00 45.01 O ATOM 979 CB ASN A 64 -5.122 11.694 -4.019 1.00 72.13 C ATOM 980 CG ASN A 64 -3.831 11.160 -4.608 1.00 54.13 C ATOM 981 OD1 ASN A 64 -3.847 10.347 -5.533 1.00 12.45 O ATOM 982 ND2 ASN A 64 -2.704 11.617 -4.075 1.00 33.42 N ATOM 0 H ASN A 64 -6.729 13.551 -4.234 1.00 51.32 H new ATOM 0 HA ASN A 64 -5.875 11.645 -6.033 1.00 3.23 H new ATOM 0 HB2 ASN A 64 -4.967 12.719 -3.681 1.00 72.13 H new ATOM 0 HB3 ASN A 64 -5.388 11.105 -3.141 1.00 72.13 H new ATOM 0 HD21 ASN A 64 -1.804 11.295 -4.431 1.00 33.42 H new ATOM 0 HD22 ASN A 64 -2.738 12.290 -3.310 1.00 33.42 H new ATOM 989 N LYS A 65 -7.761 10.310 -3.658 1.00 1.43 N ATOM 990 CA LYS A 65 -8.593 9.157 -3.334 1.00 50.14 C ATOM 991 C LYS A 65 -9.745 9.022 -4.326 1.00 45.14 C ATOM 992 O LYS A 65 -10.206 7.916 -4.611 1.00 44.41 O ATOM 993 CB LYS A 65 -9.143 9.282 -1.913 1.00 22.33 C ATOM 994 CG LYS A 65 -10.039 10.491 -1.710 1.00 41.13 C ATOM 995 CD LYS A 65 -11.478 10.080 -1.443 1.00 42.11 C ATOM 996 CE LYS A 65 -12.285 11.227 -0.854 1.00 42.31 C ATOM 997 NZ LYS A 65 -13.282 11.759 -1.825 1.00 23.25 N ATOM 0 H LYS A 65 -7.728 11.023 -2.930 1.00 1.43 H new ATOM 0 HA LYS A 65 -7.973 8.263 -3.399 1.00 50.14 H new ATOM 0 HB2 LYS A 65 -9.704 8.380 -1.669 1.00 22.33 H new ATOM 0 HB3 LYS A 65 -8.309 9.337 -1.213 1.00 22.33 H new ATOM 0 HG2 LYS A 65 -9.668 11.084 -0.874 1.00 41.13 H new ATOM 0 HG3 LYS A 65 -9.999 11.127 -2.594 1.00 41.13 H new ATOM 0 HD2 LYS A 65 -11.941 9.747 -2.372 1.00 42.11 H new ATOM 0 HD3 LYS A 65 -11.494 9.233 -0.758 1.00 42.11 H new ATOM 0 HE2 LYS A 65 -12.799 10.886 0.044 1.00 42.31 H new ATOM 0 HE3 LYS A 65 -11.610 12.028 -0.550 1.00 42.31 H new ATOM 0 HZ1 LYS A 65 -13.964 12.365 -1.326 1.00 23.25 H new ATOM 0 HZ2 LYS A 65 -12.793 12.316 -2.554 1.00 23.25 H new ATOM 0 HZ3 LYS A 65 -13.786 10.968 -2.274 1.00 23.25 H new ATOM 1011 N LYS A 66 -10.203 10.154 -4.850 1.00 30.31 N ATOM 1012 CA LYS A 66 -11.299 10.163 -5.813 1.00 21.33 C ATOM 1013 C LYS A 66 -10.910 9.420 -7.087 1.00 5.32 C ATOM 1014 O LYS A 66 -11.446 8.353 -7.384 1.00 34.45 O ATOM 1015 CB LYS A 66 -11.698 11.602 -6.149 1.00 20.52 C ATOM 1016 CG LYS A 66 -13.118 11.949 -5.742 1.00 15.40 C ATOM 1017 CD LYS A 66 -13.537 13.307 -6.281 1.00 4.21 C ATOM 1018 CE LYS A 66 -14.465 13.170 -7.478 1.00 30.05 C ATOM 1019 NZ LYS A 66 -14.705 14.479 -8.147 1.00 23.40 N ATOM 0 H LYS A 66 -9.833 11.077 -4.624 1.00 30.31 H new ATOM 0 HA LYS A 66 -12.150 9.653 -5.362 1.00 21.33 H new ATOM 0 HB2 LYS A 66 -11.009 12.286 -5.653 1.00 20.52 H new ATOM 0 HB3 LYS A 66 -11.587 11.760 -7.222 1.00 20.52 H new ATOM 0 HG2 LYS A 66 -13.801 11.184 -6.111 1.00 15.40 H new ATOM 0 HG3 LYS A 66 -13.196 11.948 -4.655 1.00 15.40 H new ATOM 0 HD2 LYS A 66 -14.037 13.873 -5.495 1.00 4.21 H new ATOM 0 HD3 LYS A 66 -12.652 13.874 -6.569 1.00 4.21 H new ATOM 0 HE2 LYS A 66 -14.034 12.470 -8.194 1.00 30.05 H new ATOM 0 HE3 LYS A 66 -15.416 12.748 -7.154 1.00 30.05 H new ATOM 0 HZ1 LYS A 66 -15.342 14.343 -8.958 1.00 23.40 H new ATOM 0 HZ2 LYS A 66 -15.140 15.139 -7.472 1.00 23.40 H new ATOM 0 HZ3 LYS A 66 -13.800 14.870 -8.480 1.00 23.40 H new ATOM 1033 N ARG A 67 -9.972 9.992 -7.836 1.00 71.12 N ATOM 1034 CA ARG A 67 -9.511 9.384 -9.078 1.00 74.52 C ATOM 1035 C ARG A 67 -9.007 7.964 -8.835 1.00 21.03 C ATOM 1036 O ARG A 67 -9.375 7.032 -9.550 1.00 75.13 O ATOM 1037 CB ARG A 67 -8.401 10.231 -9.705 1.00 34.40 C ATOM 1038 CG ARG A 67 -8.914 11.291 -10.666 1.00 2.41 C ATOM 1039 CD ARG A 67 -8.056 12.547 -10.618 1.00 20.33 C ATOM 1040 NE ARG A 67 -8.467 13.528 -11.618 1.00 13.25 N ATOM 1041 CZ ARG A 67 -7.738 14.588 -11.949 1.00 13.31 C ATOM 1042 NH1 ARG A 67 -6.568 14.802 -11.364 1.00 71.22 N ATOM 1043 NH2 ARG A 67 -8.180 15.437 -12.869 1.00 13.25 N ATOM 0 H ARG A 67 -9.517 10.875 -7.604 1.00 71.12 H new ATOM 0 HA ARG A 67 -10.356 9.338 -9.765 1.00 74.52 H new ATOM 0 HB2 ARG A 67 -7.833 10.716 -8.911 1.00 34.40 H new ATOM 0 HB3 ARG A 67 -7.711 9.575 -10.235 1.00 34.40 H new ATOM 0 HG2 ARG A 67 -8.921 10.892 -11.680 1.00 2.41 H new ATOM 0 HG3 ARG A 67 -9.945 11.543 -10.416 1.00 2.41 H new ATOM 0 HD2 ARG A 67 -8.120 12.992 -9.625 1.00 20.33 H new ATOM 0 HD3 ARG A 67 -7.012 12.279 -10.780 1.00 20.33 H new ATOM 0 HE ARG A 67 -9.362 13.392 -12.088 1.00 13.25 H new ATOM 0 HH11 ARG A 67 -6.225 14.152 -10.657 1.00 71.22 H new ATOM 0 HH12 ARG A 67 -6.011 15.617 -11.621 1.00 71.22 H new ATOM 0 HH21 ARG A 67 -9.080 15.275 -13.322 1.00 13.25 H new ATOM 0 HH22 ARG A 67 -7.620 16.251 -13.123 1.00 13.25 H new ATOM 1057 N LEU A 68 -8.162 7.808 -7.821 1.00 54.13 N ATOM 1058 CA LEU A 68 -7.607 6.502 -7.483 1.00 3.52 C ATOM 1059 C LEU A 68 -8.710 5.458 -7.355 1.00 23.21 C ATOM 1060 O LEU A 68 -8.679 4.424 -8.023 1.00 4.12 O ATOM 1061 CB LEU A 68 -6.814 6.587 -6.177 1.00 41.25 C ATOM 1062 CG LEU A 68 -5.381 7.106 -6.294 1.00 64.44 C ATOM 1063 CD1 LEU A 68 -4.870 7.574 -4.941 1.00 11.23 C ATOM 1064 CD2 LEU A 68 -4.470 6.030 -6.867 1.00 44.33 C ATOM 0 H LEU A 68 -7.847 8.569 -7.219 1.00 54.13 H new ATOM 0 HA LEU A 68 -6.938 6.199 -8.288 1.00 3.52 H new ATOM 0 HB2 LEU A 68 -7.357 7.232 -5.487 1.00 41.25 H new ATOM 0 HB3 LEU A 68 -6.784 5.594 -5.728 1.00 41.25 H new ATOM 0 HG LEU A 68 -5.378 7.958 -6.974 1.00 64.44 H new ATOM 0 HD11 LEU A 68 -3.848 7.940 -5.045 1.00 11.23 H new ATOM 0 HD12 LEU A 68 -5.507 8.377 -4.569 1.00 11.23 H new ATOM 0 HD13 LEU A 68 -4.888 6.742 -4.238 1.00 11.23 H new ATOM 0 HD21 LEU A 68 -3.454 6.417 -6.943 1.00 44.33 H new ATOM 0 HD22 LEU A 68 -4.479 5.159 -6.212 1.00 44.33 H new ATOM 0 HD23 LEU A 68 -4.824 5.743 -7.857 1.00 44.33 H new ATOM 1076 N GLU A 69 -9.685 5.735 -6.495 1.00 0.44 N ATOM 1077 CA GLU A 69 -10.798 4.819 -6.282 1.00 34.25 C ATOM 1078 C GLU A 69 -11.605 4.635 -7.564 1.00 72.20 C ATOM 1079 O GLU A 69 -12.018 3.524 -7.895 1.00 62.01 O ATOM 1080 CB GLU A 69 -11.707 5.337 -5.165 1.00 31.24 C ATOM 1081 CG GLU A 69 -11.185 5.040 -3.769 1.00 31.20 C ATOM 1082 CD GLU A 69 -11.162 3.556 -3.457 1.00 43.55 C ATOM 1083 OE1 GLU A 69 -11.959 2.810 -4.063 1.00 51.45 O ATOM 1084 OE2 GLU A 69 -10.345 3.141 -2.609 1.00 12.42 O ATOM 0 H GLU A 69 -9.726 6.586 -5.935 1.00 0.44 H new ATOM 0 HA GLU A 69 -10.388 3.852 -5.989 1.00 34.25 H new ATOM 0 HB2 GLU A 69 -11.828 6.414 -5.277 1.00 31.24 H new ATOM 0 HB3 GLU A 69 -12.696 4.892 -5.277 1.00 31.24 H new ATOM 0 HG2 GLU A 69 -10.178 5.444 -3.668 1.00 31.20 H new ATOM 0 HG3 GLU A 69 -11.808 5.552 -3.036 1.00 31.20 H new ATOM 1091 N GLU A 70 -11.826 5.733 -8.280 1.00 13.32 N ATOM 1092 CA GLU A 70 -12.585 5.694 -9.525 1.00 21.41 C ATOM 1093 C GLU A 70 -11.868 4.844 -10.571 1.00 31.44 C ATOM 1094 O GLU A 70 -12.492 4.327 -11.498 1.00 44.35 O ATOM 1095 CB GLU A 70 -12.800 7.109 -10.062 1.00 0.11 C ATOM 1096 CG GLU A 70 -13.828 7.908 -9.278 1.00 13.02 C ATOM 1097 CD GLU A 70 -15.113 8.126 -10.053 1.00 70.33 C ATOM 1098 OE1 GLU A 70 -15.986 7.233 -10.018 1.00 65.54 O ATOM 1099 OE2 GLU A 70 -15.246 9.188 -10.696 1.00 63.12 O ATOM 0 H GLU A 70 -11.490 6.660 -8.020 1.00 13.32 H new ATOM 0 HA GLU A 70 -13.555 5.242 -9.316 1.00 21.41 H new ATOM 0 HB2 GLU A 70 -11.850 7.642 -10.047 1.00 0.11 H new ATOM 0 HB3 GLU A 70 -13.116 7.049 -11.103 1.00 0.11 H new ATOM 0 HG2 GLU A 70 -14.054 7.388 -8.347 1.00 13.02 H new ATOM 0 HG3 GLU A 70 -13.402 8.875 -9.008 1.00 13.02 H new ATOM 1106 N ILE A 71 -10.556 4.706 -10.415 1.00 24.34 N ATOM 1107 CA ILE A 71 -9.755 3.919 -11.345 1.00 11.55 C ATOM 1108 C ILE A 71 -9.612 2.479 -10.866 1.00 52.21 C ATOM 1109 O ILE A 71 -9.588 1.545 -11.668 1.00 44.54 O ATOM 1110 CB ILE A 71 -8.353 4.527 -11.533 1.00 3.45 C ATOM 1111 CG1 ILE A 71 -8.460 5.952 -12.080 1.00 42.33 C ATOM 1112 CG2 ILE A 71 -7.519 3.659 -12.462 1.00 72.43 C ATOM 1113 CD1 ILE A 71 -7.344 6.863 -11.616 1.00 55.41 C ATOM 0 H ILE A 71 -10.025 5.129 -9.654 1.00 24.34 H new ATOM 0 HA ILE A 71 -10.279 3.931 -12.301 1.00 11.55 H new ATOM 0 HB ILE A 71 -7.858 4.566 -10.563 1.00 3.45 H new ATOM 0 HG12 ILE A 71 -8.459 5.915 -13.169 1.00 42.33 H new ATOM 0 HG13 ILE A 71 -9.416 6.378 -11.776 1.00 42.33 H new ATOM 0 HG21 ILE A 71 -6.531 4.102 -12.585 1.00 72.43 H new ATOM 0 HG22 ILE A 71 -7.419 2.661 -12.035 1.00 72.43 H new ATOM 0 HG23 ILE A 71 -8.009 3.590 -13.433 1.00 72.43 H new ATOM 0 HD11 ILE A 71 -7.484 7.856 -12.042 1.00 55.41 H new ATOM 0 HD12 ILE A 71 -7.357 6.930 -10.528 1.00 55.41 H new ATOM 0 HD13 ILE A 71 -6.386 6.460 -11.943 1.00 55.41 H new ATOM 1125 N THR A 72 -9.520 2.305 -9.551 1.00 34.30 N ATOM 1126 CA THR A 72 -9.381 0.978 -8.964 1.00 21.21 C ATOM 1127 C THR A 72 -10.650 0.155 -9.157 1.00 31.13 C ATOM 1128 O THR A 72 -10.591 -1.054 -9.382 1.00 2.31 O ATOM 1129 CB THR A 72 -9.060 1.060 -7.460 1.00 32.11 C ATOM 1130 OG1 THR A 72 -10.123 1.726 -6.768 1.00 42.42 O ATOM 1131 CG2 THR A 72 -7.753 1.800 -7.225 1.00 0.31 C ATOM 0 H THR A 72 -9.539 3.066 -8.873 1.00 34.30 H new ATOM 0 HA THR A 72 -8.553 0.490 -9.479 1.00 21.21 H new ATOM 0 HB THR A 72 -8.958 0.045 -7.077 1.00 32.11 H new ATOM 0 HG1 THR A 72 -10.622 2.287 -7.398 1.00 42.42 H new ATOM 0 HG21 THR A 72 -7.548 1.845 -6.155 1.00 0.31 H new ATOM 0 HG22 THR A 72 -6.942 1.274 -7.728 1.00 0.31 H new ATOM 0 HG23 THR A 72 -7.831 2.812 -7.622 1.00 0.31 H new ATOM 1139 N LYS A 73 -11.798 0.818 -9.069 1.00 52.03 N ATOM 1140 CA LYS A 73 -13.083 0.149 -9.237 1.00 13.33 C ATOM 1141 C LYS A 73 -13.104 -0.675 -10.520 1.00 71.30 C ATOM 1142 O LYS A 73 -13.267 -1.895 -10.500 1.00 62.04 O ATOM 1143 CB LYS A 73 -14.217 1.176 -9.258 1.00 52.43 C ATOM 1144 CG LYS A 73 -15.039 1.203 -7.981 1.00 22.33 C ATOM 1145 CD LYS A 73 -16.503 0.904 -8.253 1.00 64.33 C ATOM 1146 CE LYS A 73 -17.239 0.520 -6.979 1.00 35.34 C ATOM 1147 NZ LYS A 73 -17.653 1.718 -6.195 1.00 62.21 N ATOM 0 H LYS A 73 -11.865 1.819 -8.882 1.00 52.03 H new ATOM 0 HA LYS A 73 -13.227 -0.524 -8.392 1.00 13.33 H new ATOM 0 HB2 LYS A 73 -13.795 2.166 -9.429 1.00 52.43 H new ATOM 0 HB3 LYS A 73 -14.876 0.960 -10.099 1.00 52.43 H new ATOM 0 HG2 LYS A 73 -14.642 0.472 -7.277 1.00 22.33 H new ATOM 0 HG3 LYS A 73 -14.948 2.182 -7.510 1.00 22.33 H new ATOM 0 HD2 LYS A 73 -16.977 1.778 -8.699 1.00 64.33 H new ATOM 0 HD3 LYS A 73 -16.581 0.094 -8.978 1.00 64.33 H new ATOM 0 HE2 LYS A 73 -18.120 -0.071 -7.232 1.00 35.34 H new ATOM 0 HE3 LYS A 73 -16.597 -0.112 -6.365 1.00 35.34 H new ATOM 0 HZ1 LYS A 73 -18.151 1.414 -5.334 1.00 62.21 H new ATOM 0 HZ2 LYS A 73 -16.811 2.268 -5.931 1.00 62.21 H new ATOM 0 HZ3 LYS A 73 -18.286 2.308 -6.771 1.00 62.21 H new ATOM 1161 N PRO A 74 -12.936 0.005 -11.664 1.00 23.10 N ATOM 1162 CA PRO A 74 -12.930 -0.645 -12.978 1.00 52.30 C ATOM 1163 C PRO A 74 -11.690 -1.507 -13.193 1.00 54.20 C ATOM 1164 O PRO A 74 -11.758 -2.566 -13.816 1.00 35.52 O ATOM 1165 CB PRO A 74 -12.939 0.533 -13.956 1.00 72.12 C ATOM 1166 CG PRO A 74 -12.331 1.661 -13.196 1.00 71.44 C ATOM 1167 CD PRO A 74 -12.738 1.460 -11.762 1.00 43.44 C ATOM 0 HA PRO A 74 -13.773 -1.325 -13.100 1.00 52.30 H new ATOM 0 HB2 PRO A 74 -12.365 0.306 -14.854 1.00 72.12 H new ATOM 0 HB3 PRO A 74 -13.953 0.773 -14.277 1.00 72.12 H new ATOM 0 HG2 PRO A 74 -11.246 1.660 -13.298 1.00 71.44 H new ATOM 0 HG3 PRO A 74 -12.686 2.621 -13.572 1.00 71.44 H new ATOM 0 HD2 PRO A 74 -11.968 1.808 -11.073 1.00 43.44 H new ATOM 0 HD3 PRO A 74 -13.650 2.007 -11.523 1.00 43.44 H new ATOM 1175 N LYS A 75 -10.558 -1.045 -12.673 1.00 62.14 N ATOM 1176 CA LYS A 75 -9.302 -1.774 -12.806 1.00 42.12 C ATOM 1177 C LYS A 75 -9.367 -3.110 -12.072 1.00 31.04 C ATOM 1178 O LYS A 75 -8.647 -4.049 -12.407 1.00 50.21 O ATOM 1179 CB LYS A 75 -8.142 -0.937 -12.261 1.00 70.25 C ATOM 1180 CG LYS A 75 -7.633 0.106 -13.241 1.00 4.22 C ATOM 1181 CD LYS A 75 -6.507 -0.442 -14.103 1.00 10.51 C ATOM 1182 CE LYS A 75 -6.525 0.170 -15.496 1.00 24.22 C ATOM 1183 NZ LYS A 75 -6.069 -0.799 -16.532 1.00 14.20 N ATOM 0 H LYS A 75 -10.484 -0.169 -12.156 1.00 62.14 H new ATOM 0 HA LYS A 75 -9.135 -1.969 -13.865 1.00 42.12 H new ATOM 0 HB2 LYS A 75 -8.463 -0.438 -11.346 1.00 70.25 H new ATOM 0 HB3 LYS A 75 -7.321 -1.601 -11.991 1.00 70.25 H new ATOM 0 HG2 LYS A 75 -8.452 0.438 -13.879 1.00 4.22 H new ATOM 0 HG3 LYS A 75 -7.281 0.980 -12.693 1.00 4.22 H new ATOM 0 HD2 LYS A 75 -5.549 -0.236 -13.626 1.00 10.51 H new ATOM 0 HD3 LYS A 75 -6.599 -1.525 -14.179 1.00 10.51 H new ATOM 0 HE2 LYS A 75 -7.535 0.506 -15.732 1.00 24.22 H new ATOM 0 HE3 LYS A 75 -5.883 1.051 -15.514 1.00 24.22 H new ATOM 0 HZ1 LYS A 75 -6.095 -0.345 -17.467 1.00 14.20 H new ATOM 0 HZ2 LYS A 75 -5.096 -1.101 -16.321 1.00 14.20 H new ATOM 0 HZ3 LYS A 75 -6.697 -1.628 -16.532 1.00 14.20 H new ATOM 1197 N GLY A 76 -10.237 -3.187 -11.069 1.00 52.11 N ATOM 1198 CA GLY A 76 -10.381 -4.412 -10.305 1.00 42.10 C ATOM 1199 C GLY A 76 -9.092 -4.824 -9.621 1.00 53.34 C ATOM 1200 O GLY A 76 -8.518 -5.865 -9.942 1.00 25.14 O ATOM 0 H GLY A 76 -10.844 -2.423 -10.772 1.00 52.11 H new ATOM 0 HA2 GLY A 76 -11.160 -4.279 -9.555 1.00 42.10 H new ATOM 0 HA3 GLY A 76 -10.709 -5.213 -10.967 1.00 42.10 H new ATOM 1204 N ILE A 77 -8.636 -4.005 -8.679 1.00 54.45 N ATOM 1205 CA ILE A 77 -7.406 -4.290 -7.950 1.00 75.01 C ATOM 1206 C ILE A 77 -7.576 -4.016 -6.460 1.00 20.52 C ATOM 1207 O ILE A 77 -8.410 -3.213 -6.042 1.00 10.15 O ATOM 1208 CB ILE A 77 -6.229 -3.453 -8.484 1.00 22.43 C ATOM 1209 CG1 ILE A 77 -6.609 -1.972 -8.538 1.00 30.32 C ATOM 1210 CG2 ILE A 77 -5.808 -3.948 -9.859 1.00 73.34 C ATOM 1211 CD1 ILE A 77 -5.703 -1.085 -7.715 1.00 25.33 C ATOM 0 H ILE A 77 -9.099 -3.139 -8.403 1.00 54.45 H new ATOM 0 HA ILE A 77 -7.186 -5.347 -8.100 1.00 75.01 H new ATOM 0 HB ILE A 77 -5.385 -3.567 -7.804 1.00 22.43 H new ATOM 0 HG12 ILE A 77 -6.587 -1.637 -9.575 1.00 30.32 H new ATOM 0 HG13 ILE A 77 -7.634 -1.855 -8.187 1.00 30.32 H new ATOM 0 HG21 ILE A 77 -4.975 -3.346 -10.223 1.00 73.34 H new ATOM 0 HG22 ILE A 77 -5.500 -4.991 -9.791 1.00 73.34 H new ATOM 0 HG23 ILE A 77 -6.647 -3.862 -10.549 1.00 73.34 H new ATOM 0 HD11 ILE A 77 -6.032 -0.049 -7.801 1.00 25.33 H new ATOM 0 HD12 ILE A 77 -5.743 -1.393 -6.670 1.00 25.33 H new ATOM 0 HD13 ILE A 77 -4.680 -1.172 -8.080 1.00 25.33 H new ATOM 1223 N PRO A 78 -6.765 -4.698 -5.637 1.00 21.33 N ATOM 1224 CA PRO A 78 -6.804 -4.544 -4.180 1.00 44.22 C ATOM 1225 C PRO A 78 -6.282 -3.184 -3.727 1.00 65.12 C ATOM 1226 O PRO A 78 -5.075 -2.987 -3.587 1.00 64.53 O ATOM 1227 CB PRO A 78 -5.885 -5.662 -3.680 1.00 74.32 C ATOM 1228 CG PRO A 78 -4.954 -5.923 -4.814 1.00 11.15 C ATOM 1229 CD PRO A 78 -5.746 -5.672 -6.066 1.00 53.22 C ATOM 0 HA PRO A 78 -7.821 -4.603 -3.791 1.00 44.22 H new ATOM 0 HB2 PRO A 78 -5.343 -5.358 -2.785 1.00 74.32 H new ATOM 0 HB3 PRO A 78 -6.453 -6.555 -3.421 1.00 74.32 H new ATOM 0 HG2 PRO A 78 -4.085 -5.267 -4.764 1.00 11.15 H new ATOM 0 HG3 PRO A 78 -4.582 -6.947 -4.786 1.00 11.15 H new ATOM 0 HD2 PRO A 78 -5.120 -5.273 -6.864 1.00 53.22 H new ATOM 0 HD3 PRO A 78 -6.200 -6.588 -6.445 1.00 53.22 H new ATOM 1237 N ILE A 79 -7.199 -2.250 -3.499 1.00 32.32 N ATOM 1238 CA ILE A 79 -6.831 -0.910 -3.060 1.00 24.13 C ATOM 1239 C ILE A 79 -7.368 -0.621 -1.662 1.00 75.13 C ATOM 1240 O ILE A 79 -8.550 -0.825 -1.388 1.00 32.24 O ATOM 1241 CB ILE A 79 -7.354 0.164 -4.031 1.00 50.23 C ATOM 1242 CG1 ILE A 79 -6.868 1.551 -3.603 1.00 54.11 C ATOM 1243 CG2 ILE A 79 -8.873 0.125 -4.094 1.00 15.44 C ATOM 1244 CD1 ILE A 79 -5.816 2.133 -4.520 1.00 22.10 C ATOM 0 H ILE A 79 -8.202 -2.397 -3.611 1.00 32.32 H new ATOM 0 HA ILE A 79 -5.742 -0.873 -3.042 1.00 24.13 H new ATOM 0 HB ILE A 79 -6.963 -0.045 -5.027 1.00 50.23 H new ATOM 0 HG12 ILE A 79 -7.720 2.230 -3.564 1.00 54.11 H new ATOM 0 HG13 ILE A 79 -6.464 1.489 -2.593 1.00 54.11 H new ATOM 0 HG21 ILE A 79 -9.228 0.890 -4.784 1.00 15.44 H new ATOM 0 HG22 ILE A 79 -9.198 -0.856 -4.441 1.00 15.44 H new ATOM 0 HG23 ILE A 79 -9.283 0.313 -3.102 1.00 15.44 H new ATOM 0 HD11 ILE A 79 -5.519 3.116 -4.155 1.00 22.10 H new ATOM 0 HD12 ILE A 79 -4.947 1.476 -4.540 1.00 22.10 H new ATOM 0 HD13 ILE A 79 -6.223 2.227 -5.527 1.00 22.10 H new ATOM 1256 N GLU A 80 -6.493 -0.144 -0.783 1.00 65.51 N ATOM 1257 CA GLU A 80 -6.880 0.172 0.586 1.00 52.52 C ATOM 1258 C GLU A 80 -6.468 1.596 0.952 1.00 21.43 C ATOM 1259 O GLU A 80 -5.698 2.234 0.234 1.00 14.13 O ATOM 1260 CB GLU A 80 -6.247 -0.821 1.563 1.00 72.11 C ATOM 1261 CG GLU A 80 -7.261 -1.569 2.412 1.00 3.44 C ATOM 1262 CD GLU A 80 -7.809 -0.724 3.545 1.00 11.30 C ATOM 1263 OE1 GLU A 80 -7.012 -0.016 4.196 1.00 52.40 O ATOM 1264 OE2 GLU A 80 -9.034 -0.770 3.782 1.00 53.31 O ATOM 0 H GLU A 80 -5.511 0.032 -0.995 1.00 65.51 H new ATOM 0 HA GLU A 80 -7.965 0.096 0.656 1.00 52.52 H new ATOM 0 HB2 GLU A 80 -5.653 -1.542 1.001 1.00 72.11 H new ATOM 0 HB3 GLU A 80 -5.561 -0.285 2.219 1.00 72.11 H new ATOM 0 HG2 GLU A 80 -8.085 -1.901 1.780 1.00 3.44 H new ATOM 0 HG3 GLU A 80 -6.795 -2.464 2.824 1.00 3.44 H new ATOM 1271 N ILE A 81 -6.987 2.085 2.074 1.00 31.01 N ATOM 1272 CA ILE A 81 -6.673 3.431 2.536 1.00 44.51 C ATOM 1273 C ILE A 81 -6.346 3.439 4.025 1.00 32.11 C ATOM 1274 O ILE A 81 -7.116 2.931 4.842 1.00 64.42 O ATOM 1275 CB ILE A 81 -7.838 4.403 2.272 1.00 50.11 C ATOM 1276 CG1 ILE A 81 -8.168 4.444 0.778 1.00 2.33 C ATOM 1277 CG2 ILE A 81 -7.492 5.795 2.782 1.00 75.52 C ATOM 1278 CD1 ILE A 81 -9.301 5.387 0.436 1.00 63.23 C ATOM 0 H ILE A 81 -7.626 1.569 2.679 1.00 31.01 H new ATOM 0 HA ILE A 81 -5.800 3.762 1.973 1.00 44.51 H new ATOM 0 HB ILE A 81 -8.717 4.048 2.810 1.00 50.11 H new ATOM 0 HG12 ILE A 81 -7.277 4.743 0.225 1.00 2.33 H new ATOM 0 HG13 ILE A 81 -8.428 3.440 0.444 1.00 2.33 H new ATOM 0 HG21 ILE A 81 -8.325 6.471 2.588 1.00 75.52 H new ATOM 0 HG22 ILE A 81 -7.301 5.753 3.854 1.00 75.52 H new ATOM 0 HG23 ILE A 81 -6.602 6.160 2.269 1.00 75.52 H new ATOM 0 HD11 ILE A 81 -9.480 5.365 -0.639 1.00 63.23 H new ATOM 0 HD12 ILE A 81 -10.204 5.076 0.961 1.00 63.23 H new ATOM 0 HD13 ILE A 81 -9.036 6.400 0.739 1.00 63.23 H new ATOM 1290 N ILE A 82 -5.204 4.021 4.372 1.00 21.11 N ATOM 1291 CA ILE A 82 -4.778 4.097 5.764 1.00 2.20 C ATOM 1292 C ILE A 82 -5.590 5.136 6.531 1.00 64.41 C ATOM 1293 O ILE A 82 -5.842 6.232 6.034 1.00 63.30 O ATOM 1294 CB ILE A 82 -3.282 4.446 5.876 1.00 1.22 C ATOM 1295 CG1 ILE A 82 -2.461 3.583 4.917 1.00 22.15 C ATOM 1296 CG2 ILE A 82 -2.801 4.261 7.308 1.00 24.15 C ATOM 1297 CD1 ILE A 82 -0.980 3.894 4.939 1.00 31.45 C ATOM 0 H ILE A 82 -4.557 4.447 3.709 1.00 21.11 H new ATOM 0 HA ILE A 82 -4.947 3.113 6.201 1.00 2.20 H new ATOM 0 HB ILE A 82 -3.146 5.492 5.600 1.00 1.22 H new ATOM 0 HG12 ILE A 82 -2.607 2.533 5.171 1.00 22.15 H new ATOM 0 HG13 ILE A 82 -2.838 3.721 3.904 1.00 22.15 H new ATOM 0 HG21 ILE A 82 -1.742 4.511 7.371 1.00 24.15 H new ATOM 0 HG22 ILE A 82 -3.369 4.915 7.970 1.00 24.15 H new ATOM 0 HG23 ILE A 82 -2.947 3.224 7.610 1.00 24.15 H new ATOM 0 HD11 ILE A 82 -0.461 3.244 4.235 1.00 31.45 H new ATOM 0 HD12 ILE A 82 -0.823 4.935 4.656 1.00 31.45 H new ATOM 0 HD13 ILE A 82 -0.588 3.728 5.942 1.00 31.45 H new ATOM 1309 N ASN A 83 -5.994 4.782 7.746 1.00 3.43 N ATOM 1310 CA ASN A 83 -6.776 5.684 8.584 1.00 73.21 C ATOM 1311 C ASN A 83 -5.882 6.735 9.236 1.00 71.11 C ATOM 1312 O ASN A 83 -4.698 6.496 9.475 1.00 2.43 O ATOM 1313 CB ASN A 83 -7.523 4.894 9.661 1.00 12.44 C ATOM 1314 CG ASN A 83 -8.867 4.384 9.176 1.00 33.44 C ATOM 1315 OD1 ASN A 83 -9.654 5.131 8.594 1.00 21.31 O ATOM 1316 ND2 ASN A 83 -9.135 3.106 9.417 1.00 71.33 N ATOM 0 H ASN A 83 -5.793 3.877 8.173 1.00 3.43 H new ATOM 0 HA ASN A 83 -7.500 6.193 7.948 1.00 73.21 H new ATOM 0 HB2 ASN A 83 -6.911 4.050 9.979 1.00 12.44 H new ATOM 0 HB3 ASN A 83 -7.672 5.528 10.535 1.00 12.44 H new ATOM 0 HD21 ASN A 83 -10.024 2.706 9.116 1.00 71.33 H new ATOM 0 HD22 ASN A 83 -8.452 2.525 9.903 1.00 71.33 H new ATOM 1323 N THR A 84 -6.457 7.899 9.521 1.00 32.04 N ATOM 1324 CA THR A 84 -5.714 8.985 10.145 1.00 41.55 C ATOM 1325 C THR A 84 -4.992 8.509 11.399 1.00 12.54 C ATOM 1326 O THR A 84 -3.898 8.980 11.714 1.00 63.12 O ATOM 1327 CB THR A 84 -6.640 10.161 10.513 1.00 23.22 C ATOM 1328 OG1 THR A 84 -7.853 10.084 9.758 1.00 32.50 O ATOM 1329 CG2 THR A 84 -5.955 11.493 10.248 1.00 30.40 C ATOM 0 H THR A 84 -7.436 8.113 9.329 1.00 32.04 H new ATOM 0 HA THR A 84 -4.980 9.325 9.415 1.00 41.55 H new ATOM 0 HB THR A 84 -6.870 10.094 11.576 1.00 23.22 H new ATOM 0 HG1 THR A 84 -8.436 10.834 9.999 1.00 32.50 H new ATOM 0 HG21 THR A 84 -6.628 12.308 10.515 1.00 30.40 H new ATOM 0 HG22 THR A 84 -5.047 11.561 10.847 1.00 30.40 H new ATOM 0 HG23 THR A 84 -5.698 11.566 9.191 1.00 30.40 H new ATOM 1337 N ILE A 85 -5.609 7.574 12.113 1.00 54.22 N ATOM 1338 CA ILE A 85 -5.023 7.033 13.333 1.00 34.15 C ATOM 1339 C ILE A 85 -3.873 6.084 13.017 1.00 63.34 C ATOM 1340 O ILE A 85 -2.771 6.229 13.547 1.00 50.21 O ATOM 1341 CB ILE A 85 -6.072 6.286 14.178 1.00 32.13 C ATOM 1342 CG1 ILE A 85 -7.313 7.158 14.379 1.00 5.43 C ATOM 1343 CG2 ILE A 85 -5.481 5.880 15.519 1.00 24.25 C ATOM 1344 CD1 ILE A 85 -8.535 6.651 13.646 1.00 64.05 C ATOM 0 H ILE A 85 -6.515 7.175 11.868 1.00 54.22 H new ATOM 0 HA ILE A 85 -4.645 7.881 13.904 1.00 34.15 H new ATOM 0 HB ILE A 85 -6.369 5.382 13.645 1.00 32.13 H new ATOM 0 HG12 ILE A 85 -7.537 7.217 15.444 1.00 5.43 H new ATOM 0 HG13 ILE A 85 -7.093 8.171 14.043 1.00 5.43 H new ATOM 0 HG21 ILE A 85 -6.235 5.353 16.104 1.00 24.25 H new ATOM 0 HG22 ILE A 85 -4.625 5.225 15.356 1.00 24.25 H new ATOM 0 HG23 ILE A 85 -5.159 6.770 16.059 1.00 24.25 H new ATOM 0 HD11 ILE A 85 -9.376 7.319 13.835 1.00 64.05 H new ATOM 0 HD12 ILE A 85 -8.330 6.619 12.576 1.00 64.05 H new ATOM 0 HD13 ILE A 85 -8.781 5.649 13.998 1.00 64.05 H new ATOM 1356 N ASP A 86 -4.135 5.114 12.147 1.00 32.42 N ATOM 1357 CA ASP A 86 -3.121 4.142 11.757 1.00 44.23 C ATOM 1358 C ASP A 86 -1.864 4.843 11.248 1.00 33.31 C ATOM 1359 O ASP A 86 -0.746 4.469 11.604 1.00 2.30 O ATOM 1360 CB ASP A 86 -3.669 3.205 10.679 1.00 30.15 C ATOM 1361 CG ASP A 86 -4.527 2.098 11.258 1.00 71.31 C ATOM 1362 OD1 ASP A 86 -5.081 2.290 12.361 1.00 34.32 O ATOM 1363 OD2 ASP A 86 -4.647 1.038 10.608 1.00 44.51 O ATOM 0 H ASP A 86 -5.041 4.980 11.699 1.00 32.42 H new ATOM 0 HA ASP A 86 -2.858 3.555 12.637 1.00 44.23 H new ATOM 0 HB2 ASP A 86 -4.257 3.781 9.965 1.00 30.15 H new ATOM 0 HB3 ASP A 86 -2.838 2.766 10.126 1.00 30.15 H new ATOM 1368 N TYR A 87 -2.056 5.857 10.413 1.00 11.12 N ATOM 1369 CA TYR A 87 -0.939 6.608 9.853 1.00 61.41 C ATOM 1370 C TYR A 87 -0.298 7.502 10.910 1.00 62.13 C ATOM 1371 O TYR A 87 0.919 7.495 11.090 1.00 10.11 O ATOM 1372 CB TYR A 87 -1.409 7.455 8.669 1.00 14.34 C ATOM 1373 CG TYR A 87 -0.290 8.193 7.970 1.00 33.12 C ATOM 1374 CD1 TYR A 87 0.092 9.465 8.379 1.00 54.33 C ATOM 1375 CD2 TYR A 87 0.387 7.618 6.902 1.00 4.33 C ATOM 1376 CE1 TYR A 87 1.112 10.144 7.743 1.00 62.44 C ATOM 1377 CE2 TYR A 87 1.411 8.288 6.260 1.00 0.52 C ATOM 1378 CZ TYR A 87 1.769 9.551 6.684 1.00 4.12 C ATOM 1379 OH TYR A 87 2.788 10.223 6.049 1.00 64.02 O ATOM 0 H TYR A 87 -2.975 6.178 10.109 1.00 11.12 H new ATOM 0 HA TYR A 87 -0.192 5.894 9.507 1.00 61.41 H new ATOM 0 HB2 TYR A 87 -1.913 6.810 7.949 1.00 14.34 H new ATOM 0 HB3 TYR A 87 -2.146 8.178 9.020 1.00 14.34 H new ATOM 0 HD1 TYR A 87 -0.418 9.931 9.209 1.00 54.33 H new ATOM 0 HD2 TYR A 87 0.108 6.630 6.567 1.00 4.33 H new ATOM 0 HE1 TYR A 87 1.394 11.133 8.072 1.00 62.44 H new ATOM 0 HE2 TYR A 87 1.928 7.826 5.432 1.00 0.52 H new ATOM 0 HH TYR A 87 3.146 9.667 5.326 1.00 64.02 H new ATOM 1389 N GLY A 88 -1.129 8.271 11.607 1.00 4.53 N ATOM 1390 CA GLY A 88 -0.626 9.161 12.638 1.00 14.22 C ATOM 1391 C GLY A 88 0.259 8.445 13.639 1.00 1.51 C ATOM 1392 O GLY A 88 1.226 9.017 14.146 1.00 74.42 O ATOM 0 H GLY A 88 -2.140 8.294 11.477 1.00 4.53 H new ATOM 0 HA2 GLY A 88 -0.063 9.970 12.173 1.00 14.22 H new ATOM 0 HA3 GLY A 88 -1.466 9.618 13.161 1.00 14.22 H new ATOM 1396 N THR A 89 -0.072 7.191 13.929 1.00 64.41 N ATOM 1397 CA THR A 89 0.699 6.397 14.879 1.00 51.22 C ATOM 1398 C THR A 89 1.884 5.721 14.197 1.00 53.11 C ATOM 1399 O THR A 89 2.878 5.393 14.843 1.00 52.42 O ATOM 1400 CB THR A 89 -0.175 5.321 15.550 1.00 33.12 C ATOM 1401 OG1 THR A 89 -0.532 4.315 14.596 1.00 10.00 O ATOM 1402 CG2 THR A 89 -1.435 5.938 16.140 1.00 24.15 C ATOM 0 H THR A 89 -0.869 6.703 13.520 1.00 64.41 H new ATOM 0 HA THR A 89 1.066 7.084 15.641 1.00 51.22 H new ATOM 0 HB THR A 89 0.401 4.868 16.357 1.00 33.12 H new ATOM 0 HG1 THR A 89 -0.003 3.507 14.760 1.00 10.00 H new ATOM 0 HG21 THR A 89 -2.037 5.159 16.608 1.00 24.15 H new ATOM 0 HG22 THR A 89 -1.160 6.683 16.887 1.00 24.15 H new ATOM 0 HG23 THR A 89 -2.012 6.415 15.348 1.00 24.15 H new ATOM 1410 N MET A 90 1.769 5.517 12.889 1.00 22.20 N ATOM 1411 CA MET A 90 2.833 4.881 12.121 1.00 45.22 C ATOM 1412 C MET A 90 3.062 3.447 12.590 1.00 52.42 C ATOM 1413 O MET A 90 4.101 3.132 13.166 1.00 25.20 O ATOM 1414 CB MET A 90 4.130 5.683 12.244 1.00 21.02 C ATOM 1415 CG MET A 90 3.936 7.182 12.081 1.00 51.01 C ATOM 1416 SD MET A 90 5.465 8.038 11.652 1.00 32.30 S ATOM 1417 CE MET A 90 6.591 7.340 12.858 1.00 42.52 C ATOM 0 H MET A 90 0.952 5.782 12.340 1.00 22.20 H new ATOM 0 HA MET A 90 2.526 4.857 11.075 1.00 45.22 H new ATOM 0 HB2 MET A 90 4.578 5.487 13.218 1.00 21.02 H new ATOM 0 HB3 MET A 90 4.837 5.333 11.492 1.00 21.02 H new ATOM 0 HG2 MET A 90 3.192 7.366 11.306 1.00 51.01 H new ATOM 0 HG3 MET A 90 3.540 7.596 13.008 1.00 51.01 H new ATOM 0 HE1 MET A 90 7.411 8.036 13.036 1.00 42.52 H new ATOM 0 HE2 MET A 90 6.058 7.161 13.792 1.00 42.52 H new ATOM 0 HE3 MET A 90 6.990 6.398 12.481 1.00 42.52 H new ATOM 1427 N ASN A 91 2.082 2.585 12.339 1.00 51.21 N ATOM 1428 CA ASN A 91 2.177 1.185 12.737 1.00 33.41 C ATOM 1429 C ASN A 91 2.542 0.304 11.545 1.00 5.04 C ATOM 1430 O ASN A 91 1.672 -0.136 10.796 1.00 22.50 O ATOM 1431 CB ASN A 91 0.853 0.716 13.345 1.00 61.22 C ATOM 1432 CG ASN A 91 0.825 0.867 14.854 1.00 54.03 C ATOM 1433 OD1 ASN A 91 1.244 1.891 15.394 1.00 63.24 O ATOM 1434 ND2 ASN A 91 0.327 -0.154 15.541 1.00 4.41 N ATOM 0 H ASN A 91 1.214 2.831 11.863 1.00 51.21 H new ATOM 0 HA ASN A 91 2.965 1.098 13.485 1.00 33.41 H new ATOM 0 HB2 ASN A 91 0.034 1.288 12.910 1.00 61.22 H new ATOM 0 HB3 ASN A 91 0.686 -0.329 13.084 1.00 61.22 H new ATOM 0 HD21 ASN A 91 0.280 -0.109 16.559 1.00 4.41 H new ATOM 0 HD22 ASN A 91 -0.009 -0.983 15.051 1.00 4.41 H new ATOM 1441 N GLY A 92 3.837 0.051 11.379 1.00 41.34 N ATOM 1442 CA GLY A 92 4.295 -0.775 10.278 1.00 63.32 C ATOM 1443 C GLY A 92 3.573 -2.107 10.213 1.00 4.42 C ATOM 1444 O GLY A 92 3.122 -2.523 9.148 1.00 73.14 O ATOM 0 H GLY A 92 4.576 0.403 11.987 1.00 41.34 H new ATOM 0 HA2 GLY A 92 4.148 -0.239 9.340 1.00 63.32 H new ATOM 0 HA3 GLY A 92 5.366 -0.950 10.380 1.00 63.32 H new ATOM 1448 N GLU A 93 3.468 -2.777 11.356 1.00 13.23 N ATOM 1449 CA GLU A 93 2.798 -4.071 11.424 1.00 44.43 C ATOM 1450 C GLU A 93 1.377 -3.977 10.874 1.00 64.11 C ATOM 1451 O GLU A 93 0.958 -4.804 10.064 1.00 11.24 O ATOM 1452 CB GLU A 93 2.765 -4.578 12.867 1.00 62.41 C ATOM 1453 CG GLU A 93 2.204 -5.983 13.005 1.00 63.43 C ATOM 1454 CD GLU A 93 1.919 -6.359 14.446 1.00 15.21 C ATOM 1455 OE1 GLU A 93 2.508 -5.730 15.351 1.00 64.05 O ATOM 1456 OE2 GLU A 93 1.106 -7.280 14.671 1.00 44.23 O ATOM 0 H GLU A 93 3.838 -2.446 12.247 1.00 13.23 H new ATOM 0 HA GLU A 93 3.361 -4.776 10.812 1.00 44.43 H new ATOM 0 HB2 GLU A 93 3.776 -4.558 13.274 1.00 62.41 H new ATOM 0 HB3 GLU A 93 2.166 -3.896 13.470 1.00 62.41 H new ATOM 0 HG2 GLU A 93 1.285 -6.062 12.424 1.00 63.43 H new ATOM 0 HG3 GLU A 93 2.911 -6.696 12.581 1.00 63.43 H new ATOM 1463 N LYS A 94 0.642 -2.964 11.319 1.00 23.11 N ATOM 1464 CA LYS A 94 -0.731 -2.760 10.872 1.00 4.42 C ATOM 1465 C LYS A 94 -0.782 -2.508 9.369 1.00 24.01 C ATOM 1466 O LYS A 94 -1.684 -2.984 8.680 1.00 2.12 O ATOM 1467 CB LYS A 94 -1.362 -1.583 11.619 1.00 44.11 C ATOM 1468 CG LYS A 94 -1.688 -1.887 13.071 1.00 31.34 C ATOM 1469 CD LYS A 94 -2.902 -2.794 13.191 1.00 10.51 C ATOM 1470 CE LYS A 94 -2.988 -3.428 14.571 1.00 73.03 C ATOM 1471 NZ LYS A 94 -3.127 -4.909 14.493 1.00 51.40 N ATOM 0 H LYS A 94 0.974 -2.271 11.989 1.00 23.11 H new ATOM 0 HA LYS A 94 -1.296 -3.666 11.090 1.00 4.42 H new ATOM 0 HB2 LYS A 94 -0.682 -0.732 11.579 1.00 44.11 H new ATOM 0 HB3 LYS A 94 -2.276 -1.286 11.105 1.00 44.11 H new ATOM 0 HG2 LYS A 94 -0.829 -2.362 13.546 1.00 31.34 H new ATOM 0 HG3 LYS A 94 -1.874 -0.956 13.606 1.00 31.34 H new ATOM 0 HD2 LYS A 94 -3.808 -2.220 12.996 1.00 10.51 H new ATOM 0 HD3 LYS A 94 -2.851 -3.575 12.433 1.00 10.51 H new ATOM 0 HE2 LYS A 94 -2.095 -3.177 15.143 1.00 73.03 H new ATOM 0 HE3 LYS A 94 -3.839 -3.011 15.110 1.00 73.03 H new ATOM 0 HZ1 LYS A 94 -3.182 -5.304 15.454 1.00 51.40 H new ATOM 0 HZ2 LYS A 94 -3.993 -5.149 13.970 1.00 51.40 H new ATOM 0 HZ3 LYS A 94 -2.303 -5.310 14.001 1.00 51.40 H new ATOM 1485 N VAL A 95 0.194 -1.759 8.865 1.00 41.21 N ATOM 1486 CA VAL A 95 0.261 -1.446 7.443 1.00 3.33 C ATOM 1487 C VAL A 95 0.452 -2.709 6.612 1.00 74.34 C ATOM 1488 O VAL A 95 -0.428 -3.099 5.842 1.00 22.02 O ATOM 1489 CB VAL A 95 1.409 -0.465 7.137 1.00 32.41 C ATOM 1490 CG1 VAL A 95 1.442 -0.128 5.654 1.00 12.54 C ATOM 1491 CG2 VAL A 95 1.269 0.796 7.977 1.00 70.43 C ATOM 0 H VAL A 95 0.949 -1.358 9.421 1.00 41.21 H new ATOM 0 HA VAL A 95 -0.687 -0.978 7.177 1.00 3.33 H new ATOM 0 HB VAL A 95 2.353 -0.944 7.397 1.00 32.41 H new ATOM 0 HG11 VAL A 95 2.259 0.566 5.457 1.00 12.54 H new ATOM 0 HG12 VAL A 95 1.593 -1.040 5.077 1.00 12.54 H new ATOM 0 HG13 VAL A 95 0.497 0.332 5.364 1.00 12.54 H new ATOM 0 HG21 VAL A 95 2.088 1.478 7.749 1.00 70.43 H new ATOM 0 HG22 VAL A 95 0.319 1.280 7.751 1.00 70.43 H new ATOM 0 HG23 VAL A 95 1.299 0.534 9.035 1.00 70.43 H new ATOM 1501 N LEU A 96 1.606 -3.347 6.771 1.00 61.43 N ATOM 1502 CA LEU A 96 1.913 -4.568 6.034 1.00 24.25 C ATOM 1503 C LEU A 96 0.798 -5.596 6.195 1.00 0.10 C ATOM 1504 O LEU A 96 0.440 -6.291 5.244 1.00 5.40 O ATOM 1505 CB LEU A 96 3.240 -5.158 6.518 1.00 74.13 C ATOM 1506 CG LEU A 96 3.398 -5.304 8.031 1.00 21.12 C ATOM 1507 CD1 LEU A 96 3.165 -6.746 8.455 1.00 11.15 C ATOM 1508 CD2 LEU A 96 4.776 -4.833 8.472 1.00 71.53 C ATOM 0 H LEU A 96 2.345 -3.039 7.404 1.00 61.43 H new ATOM 0 HA LEU A 96 1.998 -4.314 4.977 1.00 24.25 H new ATOM 0 HB2 LEU A 96 3.365 -6.141 6.063 1.00 74.13 H new ATOM 0 HB3 LEU A 96 4.050 -4.530 6.147 1.00 74.13 H new ATOM 0 HG LEU A 96 2.650 -4.678 8.517 1.00 21.12 H new ATOM 0 HD11 LEU A 96 3.282 -6.831 9.535 1.00 11.15 H new ATOM 0 HD12 LEU A 96 2.157 -7.049 8.174 1.00 11.15 H new ATOM 0 HD13 LEU A 96 3.890 -7.392 7.960 1.00 11.15 H new ATOM 0 HD21 LEU A 96 4.870 -4.944 9.552 1.00 71.53 H new ATOM 0 HD22 LEU A 96 5.541 -5.432 7.977 1.00 71.53 H new ATOM 0 HD23 LEU A 96 4.906 -3.785 8.203 1.00 71.53 H new ATOM 1520 N GLN A 97 0.252 -5.685 7.403 1.00 20.42 N ATOM 1521 CA GLN A 97 -0.823 -6.628 7.688 1.00 55.42 C ATOM 1522 C GLN A 97 -2.048 -6.332 6.827 1.00 3.22 C ATOM 1523 O GLN A 97 -2.630 -7.235 6.225 1.00 22.01 O ATOM 1524 CB GLN A 97 -1.202 -6.572 9.169 1.00 65.12 C ATOM 1525 CG GLN A 97 -0.302 -7.416 10.058 1.00 11.20 C ATOM 1526 CD GLN A 97 -0.659 -8.888 10.019 1.00 24.11 C ATOM 1527 OE1 GLN A 97 -1.407 -9.381 10.864 1.00 4.04 O ATOM 1528 NE2 GLN A 97 -0.125 -9.602 9.035 1.00 45.45 N ATOM 0 H GLN A 97 0.536 -5.116 8.200 1.00 20.42 H new ATOM 0 HA GLN A 97 -0.465 -7.630 7.450 1.00 55.42 H new ATOM 0 HB2 GLN A 97 -1.165 -5.536 9.506 1.00 65.12 H new ATOM 0 HB3 GLN A 97 -2.232 -6.908 9.285 1.00 65.12 H new ATOM 0 HG2 GLN A 97 0.734 -7.289 9.745 1.00 11.20 H new ATOM 0 HG3 GLN A 97 -0.371 -7.056 11.085 1.00 11.20 H new ATOM 0 HE21 GLN A 97 0.490 -9.154 8.356 1.00 45.45 H new ATOM 0 HE22 GLN A 97 -0.330 -10.598 8.959 1.00 45.45 H new ATOM 1537 N LEU A 98 -2.433 -5.061 6.774 1.00 31.51 N ATOM 1538 CA LEU A 98 -3.589 -4.645 5.987 1.00 35.31 C ATOM 1539 C LEU A 98 -3.383 -4.959 4.508 1.00 12.12 C ATOM 1540 O LEU A 98 -4.212 -5.617 3.882 1.00 53.43 O ATOM 1541 CB LEU A 98 -3.845 -3.149 6.172 1.00 40.11 C ATOM 1542 CG LEU A 98 -5.272 -2.754 6.557 1.00 22.12 C ATOM 1543 CD1 LEU A 98 -5.371 -1.251 6.769 1.00 63.34 C ATOM 1544 CD2 LEU A 98 -6.258 -3.212 5.493 1.00 42.33 C ATOM 0 H LEU A 98 -1.962 -4.302 7.266 1.00 31.51 H new ATOM 0 HA LEU A 98 -4.457 -5.202 6.340 1.00 35.31 H new ATOM 0 HB2 LEU A 98 -3.167 -2.777 6.940 1.00 40.11 H new ATOM 0 HB3 LEU A 98 -3.586 -2.639 5.244 1.00 40.11 H new ATOM 0 HG LEU A 98 -5.525 -3.249 7.494 1.00 22.12 H new ATOM 0 HD11 LEU A 98 -6.393 -0.989 7.042 1.00 63.34 H new ATOM 0 HD12 LEU A 98 -4.693 -0.951 7.568 1.00 63.34 H new ATOM 0 HD13 LEU A 98 -5.098 -0.735 5.849 1.00 63.34 H new ATOM 0 HD21 LEU A 98 -7.268 -2.922 5.784 1.00 42.33 H new ATOM 0 HD22 LEU A 98 -6.007 -2.746 4.540 1.00 42.33 H new ATOM 0 HD23 LEU A 98 -6.206 -4.296 5.392 1.00 42.33 H new ATOM 1556 N ALA A 99 -2.270 -4.484 3.959 1.00 74.42 N ATOM 1557 CA ALA A 99 -1.952 -4.718 2.555 1.00 22.03 C ATOM 1558 C ALA A 99 -1.987 -6.206 2.225 1.00 62.15 C ATOM 1559 O ALA A 99 -2.748 -6.641 1.360 1.00 73.33 O ATOM 1560 CB ALA A 99 -0.589 -4.132 2.218 1.00 32.03 C ATOM 0 H ALA A 99 -1.574 -3.935 4.464 1.00 74.42 H new ATOM 0 HA ALA A 99 -2.709 -4.221 1.949 1.00 22.03 H new ATOM 0 HB1 ALA A 99 -0.364 -4.314 1.167 1.00 32.03 H new ATOM 0 HB2 ALA A 99 -0.598 -3.058 2.407 1.00 32.03 H new ATOM 0 HB3 ALA A 99 0.173 -4.603 2.839 1.00 32.03 H new ATOM 1566 N ILE A 100 -1.158 -6.981 2.916 1.00 41.01 N ATOM 1567 CA ILE A 100 -1.096 -8.420 2.695 1.00 45.22 C ATOM 1568 C ILE A 100 -2.471 -9.060 2.846 1.00 21.04 C ATOM 1569 O ILE A 100 -2.902 -9.838 1.997 1.00 53.45 O ATOM 1570 CB ILE A 100 -0.116 -9.097 3.671 1.00 52.31 C ATOM 1571 CG1 ILE A 100 1.285 -8.501 3.518 1.00 4.15 C ATOM 1572 CG2 ILE A 100 -0.087 -10.599 3.436 1.00 62.43 C ATOM 1573 CD1 ILE A 100 2.186 -8.764 4.704 1.00 11.34 C ATOM 0 H ILE A 100 -0.520 -6.636 3.633 1.00 41.01 H new ATOM 0 HA ILE A 100 -0.741 -8.568 1.675 1.00 45.22 H new ATOM 0 HB ILE A 100 -0.458 -8.915 4.690 1.00 52.31 H new ATOM 0 HG12 ILE A 100 1.749 -8.911 2.621 1.00 4.15 H new ATOM 0 HG13 ILE A 100 1.199 -7.425 3.369 1.00 4.15 H new ATOM 0 HG21 ILE A 100 0.610 -11.063 4.134 1.00 62.43 H new ATOM 0 HG22 ILE A 100 -1.084 -11.011 3.592 1.00 62.43 H new ATOM 0 HG23 ILE A 100 0.234 -10.801 2.414 1.00 62.43 H new ATOM 0 HD11 ILE A 100 3.162 -8.313 4.526 1.00 11.34 H new ATOM 0 HD12 ILE A 100 1.743 -8.330 5.601 1.00 11.34 H new ATOM 0 HD13 ILE A 100 2.303 -9.839 4.841 1.00 11.34 H new ATOM 1585 N ASN A 101 -3.156 -8.726 3.934 1.00 15.32 N ATOM 1586 CA ASN A 101 -4.485 -9.267 4.198 1.00 50.44 C ATOM 1587 C ASN A 101 -5.403 -9.063 2.996 1.00 54.00 C ATOM 1588 O ASN A 101 -6.085 -9.989 2.559 1.00 33.23 O ATOM 1589 CB ASN A 101 -5.092 -8.604 5.436 1.00 73.22 C ATOM 1590 CG ASN A 101 -6.475 -9.139 5.758 1.00 40.32 C ATOM 1591 OD1 ASN A 101 -6.722 -10.342 5.675 1.00 13.12 O ATOM 1592 ND2 ASN A 101 -7.383 -8.244 6.128 1.00 52.52 N ATOM 0 H ASN A 101 -2.813 -8.083 4.648 1.00 15.32 H new ATOM 0 HA ASN A 101 -4.385 -10.337 4.380 1.00 50.44 H new ATOM 0 HB2 ASN A 101 -4.435 -8.765 6.290 1.00 73.22 H new ATOM 0 HB3 ASN A 101 -5.150 -7.527 5.277 1.00 73.22 H new ATOM 0 HD21 ASN A 101 -8.331 -8.544 6.358 1.00 52.52 H new ATOM 0 HD22 ASN A 101 -7.133 -7.257 6.183 1.00 52.52 H new ATOM 1599 N ALA A 102 -5.413 -7.845 2.466 1.00 13.34 N ATOM 1600 CA ALA A 102 -6.244 -7.519 1.314 1.00 54.12 C ATOM 1601 C ALA A 102 -5.836 -8.338 0.094 1.00 35.23 C ATOM 1602 O ALA A 102 -6.687 -8.850 -0.635 1.00 41.12 O ATOM 1603 CB ALA A 102 -6.161 -6.032 1.005 1.00 63.03 C ATOM 0 H ALA A 102 -4.854 -7.067 2.816 1.00 13.34 H new ATOM 0 HA ALA A 102 -7.276 -7.770 1.560 1.00 54.12 H new ATOM 0 HB1 ALA A 102 -6.787 -5.804 0.142 1.00 63.03 H new ATOM 0 HB2 ALA A 102 -6.509 -5.461 1.866 1.00 63.03 H new ATOM 0 HB3 ALA A 102 -5.128 -5.763 0.785 1.00 63.03 H new ATOM 1609 N PHE A 103 -4.531 -8.459 -0.122 1.00 41.24 N ATOM 1610 CA PHE A 103 -4.010 -9.215 -1.256 1.00 15.12 C ATOM 1611 C PHE A 103 -4.541 -10.646 -1.246 1.00 14.14 C ATOM 1612 O PHE A 103 -5.135 -11.105 -2.219 1.00 72.13 O ATOM 1613 CB PHE A 103 -2.481 -9.227 -1.229 1.00 30.32 C ATOM 1614 CG PHE A 103 -1.865 -9.884 -2.430 1.00 30.10 C ATOM 1615 CD1 PHE A 103 -2.141 -9.421 -3.707 1.00 61.30 C ATOM 1616 CD2 PHE A 103 -1.010 -10.965 -2.284 1.00 72.32 C ATOM 1617 CE1 PHE A 103 -1.575 -10.023 -4.815 1.00 23.12 C ATOM 1618 CE2 PHE A 103 -0.442 -11.571 -3.388 1.00 42.21 C ATOM 1619 CZ PHE A 103 -0.725 -11.100 -4.656 1.00 14.00 C ATOM 0 H PHE A 103 -3.814 -8.044 0.473 1.00 41.24 H new ATOM 0 HA PHE A 103 -4.347 -8.727 -2.171 1.00 15.12 H new ATOM 0 HB2 PHE A 103 -2.119 -8.201 -1.160 1.00 30.32 H new ATOM 0 HB3 PHE A 103 -2.146 -9.744 -0.330 1.00 30.32 H new ATOM 0 HD1 PHE A 103 -2.806 -8.580 -3.838 1.00 61.30 H new ATOM 0 HD2 PHE A 103 -0.785 -11.338 -1.296 1.00 72.32 H new ATOM 0 HE1 PHE A 103 -1.797 -9.651 -5.804 1.00 23.12 H new ATOM 0 HE2 PHE A 103 0.223 -12.412 -3.260 1.00 42.21 H new ATOM 0 HZ PHE A 103 -0.283 -11.573 -5.520 1.00 14.00 H new ATOM 1629 N ASN A 104 -4.323 -11.344 -0.135 1.00 42.31 N ATOM 1630 CA ASN A 104 -4.778 -12.722 0.002 1.00 2.25 C ATOM 1631 C ASN A 104 -6.296 -12.809 -0.123 1.00 20.50 C ATOM 1632 O ASN A 104 -6.825 -13.707 -0.778 1.00 24.15 O ATOM 1633 CB ASN A 104 -4.333 -13.296 1.349 1.00 12.41 C ATOM 1634 CG ASN A 104 -2.929 -13.867 1.299 1.00 22.00 C ATOM 1635 OD1 ASN A 104 -2.403 -14.157 0.224 1.00 22.14 O ATOM 1636 ND2 ASN A 104 -2.315 -14.033 2.465 1.00 74.11 N ATOM 0 H ASN A 104 -3.835 -10.978 0.682 1.00 42.31 H new ATOM 0 HA ASN A 104 -4.331 -13.307 -0.801 1.00 2.25 H new ATOM 0 HB2 ASN A 104 -4.377 -12.514 2.107 1.00 12.41 H new ATOM 0 HB3 ASN A 104 -5.029 -14.077 1.656 1.00 12.41 H new ATOM 0 HD21 ASN A 104 -1.369 -14.415 2.494 1.00 74.11 H new ATOM 0 HD22 ASN A 104 -2.789 -13.779 3.332 1.00 74.11 H new ATOM 1643 N ASN A 105 -6.991 -11.868 0.507 1.00 31.44 N ATOM 1644 CA ASN A 105 -8.449 -11.838 0.467 1.00 71.33 C ATOM 1645 C ASN A 105 -8.950 -11.725 -0.970 1.00 33.43 C ATOM 1646 O ASN A 105 -9.958 -12.331 -1.337 1.00 5.53 O ATOM 1647 CB ASN A 105 -8.979 -10.667 1.298 1.00 65.25 C ATOM 1648 CG ASN A 105 -10.455 -10.412 1.061 1.00 72.51 C ATOM 1649 OD1 ASN A 105 -10.836 -9.765 0.086 1.00 3.40 O ATOM 1650 ND2 ASN A 105 -11.294 -10.923 1.954 1.00 34.53 N ATOM 0 H ASN A 105 -6.569 -11.116 1.051 1.00 31.44 H new ATOM 0 HA ASN A 105 -8.819 -12.772 0.890 1.00 71.33 H new ATOM 0 HB2 ASN A 105 -8.814 -10.871 2.356 1.00 65.25 H new ATOM 0 HB3 ASN A 105 -8.414 -9.767 1.055 1.00 65.25 H new ATOM 0 HD21 ASN A 105 -12.299 -10.786 1.847 1.00 34.53 H new ATOM 0 HD22 ASN A 105 -10.934 -11.453 2.747 1.00 34.53 H new ATOM 1657 N LYS A 106 -8.240 -10.947 -1.779 1.00 72.31 N ATOM 1658 CA LYS A 106 -8.610 -10.755 -3.176 1.00 73.20 C ATOM 1659 C LYS A 106 -8.012 -11.851 -4.053 1.00 64.15 C ATOM 1660 O LYS A 106 -7.044 -12.508 -3.668 1.00 55.21 O ATOM 1661 CB LYS A 106 -8.142 -9.383 -3.666 1.00 42.10 C ATOM 1662 CG LYS A 106 -9.262 -8.365 -3.783 1.00 4.54 C ATOM 1663 CD LYS A 106 -10.218 -8.713 -4.911 1.00 62.21 C ATOM 1664 CE LYS A 106 -10.679 -7.470 -5.655 1.00 75.21 C ATOM 1665 NZ LYS A 106 -11.853 -6.833 -4.995 1.00 42.13 N ATOM 0 H LYS A 106 -7.404 -10.439 -1.491 1.00 72.31 H new ATOM 0 HA LYS A 106 -9.696 -10.808 -3.248 1.00 73.20 H new ATOM 0 HB2 LYS A 106 -7.385 -9.001 -2.981 1.00 42.10 H new ATOM 0 HB3 LYS A 106 -7.663 -9.498 -4.639 1.00 42.10 H new ATOM 0 HG2 LYS A 106 -9.810 -8.317 -2.842 1.00 4.54 H new ATOM 0 HG3 LYS A 106 -8.839 -7.376 -3.956 1.00 4.54 H new ATOM 0 HD2 LYS A 106 -9.728 -9.394 -5.607 1.00 62.21 H new ATOM 0 HD3 LYS A 106 -11.083 -9.238 -4.507 1.00 62.21 H new ATOM 0 HE2 LYS A 106 -9.859 -6.754 -5.708 1.00 75.21 H new ATOM 0 HE3 LYS A 106 -10.938 -7.735 -6.680 1.00 75.21 H new ATOM 0 HZ1 LYS A 106 -12.137 -5.989 -5.532 1.00 42.13 H new ATOM 0 HZ2 LYS A 106 -12.644 -7.508 -4.966 1.00 42.13 H new ATOM 0 HZ3 LYS A 106 -11.598 -6.557 -4.025 1.00 42.13 H new