USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot -70:sc= 1.24 USER MOD Set 1.2: A 57 SER OG : rot -81:sc= 1.07 USER MOD Set 2.1: A 22 THR OG1 : rot -31:sc= 1.16 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.16 K(o=2.3,f=-3.4!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0033 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 2.35 (180deg=2.32) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -123:sc= 0.179 (180deg=-0.25) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -45:sc= 0.00346 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 1.27 (180deg=1.18) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.1) USER MOD Single : A 31 GLN : amide:sc= -0.0928 X(o=-0.093,f=-0.36) USER MOD Single : A 33 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.23) USER MOD Single : A 40 GLN : amide:sc= -0.258 K(o=-0.26,f=-5.9!) USER MOD Single : A 41 GLN : amide:sc= 0.852 K(o=0.85,f=-4.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.599 K(o=0.6,f=-6.1!) USER MOD Single : A 59 TYR OH : rot 110:sc= 0.484 USER MOD Single : A 60 ASN : amide:sc= -0.0294 X(o=-0.029,f=-0.4) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 70:sc= 1.26 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.067 51.785 19.442 1.00 0.00 N ATOM 2 CA MET A 1 33.238 52.185 20.847 1.00 0.00 C ATOM 3 C MET A 1 34.721 52.371 21.175 1.00 0.00 C ATOM 4 O MET A 1 35.565 51.792 20.495 1.00 0.00 O ATOM 5 CB MET A 1 32.558 51.222 21.815 1.00 0.00 C ATOM 6 CG MET A 1 33.212 49.845 21.908 1.00 0.00 C ATOM 7 SD MET A 1 32.393 48.733 23.077 1.00 0.00 S ATOM 8 CE MET A 1 33.522 47.321 22.983 1.00 0.00 C ATOM 0 H1 MET A 1 32.053 51.729 19.218 1.00 0.00 H new ATOM 0 H2 MET A 1 33.520 52.488 18.823 1.00 0.00 H new ATOM 0 H3 MET A 1 33.507 50.855 19.290 1.00 0.00 H new ATOM 0 HA MET A 1 32.738 53.145 20.978 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.548 51.672 22.808 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.519 51.096 21.511 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.212 49.384 20.920 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.254 49.966 22.203 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.171 46.530 23.646 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.554 46.949 21.959 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.521 47.633 23.287 1.00 0.00 H new ATOM 20 N GLN A 2 35.049 53.123 22.220 1.00 0.00 N ATOM 21 CA GLN A 2 36.418 53.391 22.615 1.00 0.00 C ATOM 22 C GLN A 2 36.926 52.485 23.738 1.00 0.00 C ATOM 23 O GLN A 2 36.202 52.212 24.693 1.00 0.00 O ATOM 24 CB GLN A 2 36.602 54.861 22.979 1.00 0.00 C ATOM 25 CG GLN A 2 36.567 55.759 21.745 1.00 0.00 C ATOM 26 CD GLN A 2 36.739 57.246 22.060 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.916 57.680 23.196 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.720 58.107 21.047 1.00 0.00 N ATOM 0 H GLN A 2 34.357 53.568 22.823 1.00 0.00 H new ATOM 0 HA GLN A 2 37.030 53.159 21.743 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.817 55.165 23.672 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.552 54.991 23.496 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.355 55.449 21.059 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.618 55.614 21.228 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.575 57.771 20.095 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.851 59.103 21.222 1.00 0.00 H new ATOM 37 N ILE A 3 38.195 52.094 23.660 1.00 0.00 N ATOM 38 CA ILE A 3 38.952 51.436 24.706 1.00 0.00 C ATOM 39 C ILE A 3 40.336 52.069 24.858 1.00 0.00 C ATOM 40 O ILE A 3 40.768 52.816 23.984 1.00 0.00 O ATOM 41 CB ILE A 3 39.055 49.928 24.489 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.812 49.570 23.213 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.683 49.264 24.552 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.136 48.086 23.070 1.00 0.00 C ATOM 0 H ILE A 3 38.748 52.239 22.815 1.00 0.00 H new ATOM 0 HA ILE A 3 38.404 51.582 25.637 1.00 0.00 H new ATOM 0 HB ILE A 3 39.648 49.528 25.311 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.221 49.885 22.353 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.742 50.137 23.185 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.791 48.191 24.394 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.236 49.444 25.530 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.040 49.682 23.777 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.674 47.919 22.137 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.756 47.766 23.908 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.210 47.511 23.063 1.00 0.00 H new ATOM 56 N PHE A 4 41.067 51.733 25.918 1.00 0.00 N ATOM 57 CA PHE A 4 42.429 52.168 26.148 1.00 0.00 C ATOM 58 C PHE A 4 43.446 51.032 26.035 1.00 0.00 C ATOM 59 O PHE A 4 43.161 49.913 26.456 1.00 0.00 O ATOM 60 CB PHE A 4 42.556 52.811 27.527 1.00 0.00 C ATOM 61 CG PHE A 4 41.606 53.950 27.806 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.843 55.209 27.242 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.514 53.761 28.664 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.997 56.282 27.549 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.672 54.836 28.975 1.00 0.00 C ATOM 66 CZ PHE A 4 39.912 56.096 28.414 1.00 0.00 C ATOM 0 H PHE A 4 40.710 51.131 26.660 1.00 0.00 H new ATOM 0 HA PHE A 4 42.653 52.894 25.366 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.403 52.041 28.283 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.576 53.175 27.646 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.677 55.353 26.571 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.322 52.786 29.086 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.182 57.255 27.118 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.839 54.693 29.647 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.260 56.925 28.649 1.00 0.00 H new ATOM 76 N VAL A 5 44.652 51.340 25.564 1.00 0.00 N ATOM 77 CA VAL A 5 45.809 50.470 25.624 1.00 0.00 C ATOM 78 C VAL A 5 46.981 51.204 26.279 1.00 0.00 C ATOM 79 O VAL A 5 47.390 52.248 25.775 1.00 0.00 O ATOM 80 CB VAL A 5 46.194 49.926 24.251 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.391 48.984 24.338 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.048 49.136 23.627 1.00 0.00 C ATOM 0 H VAL A 5 44.851 52.235 25.116 1.00 0.00 H new ATOM 0 HA VAL A 5 45.547 49.607 26.236 1.00 0.00 H new ATOM 0 HB VAL A 5 46.438 50.795 23.640 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.637 48.616 23.342 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.247 49.520 24.749 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.145 48.142 24.986 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.354 48.762 22.650 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.791 48.296 24.273 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.179 49.784 23.512 1.00 0.00 H new ATOM 92 N LYS A 6 47.513 50.676 27.377 1.00 0.00 N ATOM 93 CA LYS A 6 48.614 51.238 28.134 1.00 0.00 C ATOM 94 C LYS A 6 49.933 50.501 27.899 1.00 0.00 C ATOM 95 O LYS A 6 49.927 49.274 27.829 1.00 0.00 O ATOM 96 CB LYS A 6 48.232 51.363 29.607 1.00 0.00 C ATOM 97 CG LYS A 6 48.053 50.053 30.367 1.00 0.00 C ATOM 98 CD LYS A 6 47.591 50.268 31.806 1.00 0.00 C ATOM 99 CE LYS A 6 48.693 50.795 32.721 1.00 0.00 C ATOM 100 NZ LYS A 6 48.154 51.220 34.022 1.00 0.00 N ATOM 0 H LYS A 6 47.168 49.804 27.778 1.00 0.00 H new ATOM 0 HA LYS A 6 48.802 52.246 27.764 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.999 51.950 30.112 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.302 51.928 29.674 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.326 49.431 29.845 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.996 49.507 30.370 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.757 50.970 31.812 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.217 49.325 32.205 1.00 0.00 H new ATOM 0 HE2 LYS A 6 49.444 50.019 32.873 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.195 51.635 32.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.928 51.573 34.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.455 51.977 33.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.697 50.411 34.489 1.00 0.00 H new ATOM 114 N THR A 7 51.039 51.229 27.780 1.00 0.00 N ATOM 115 CA THR A 7 52.370 50.719 27.517 1.00 0.00 C ATOM 116 C THR A 7 53.346 50.914 28.679 1.00 0.00 C ATOM 117 O THR A 7 53.106 51.713 29.581 1.00 0.00 O ATOM 118 CB THR A 7 52.959 51.310 26.239 1.00 0.00 C ATOM 119 OG1 THR A 7 52.887 52.718 26.213 1.00 0.00 O ATOM 120 CG2 THR A 7 52.248 50.803 24.989 1.00 0.00 C ATOM 0 H THR A 7 51.024 52.245 27.870 1.00 0.00 H new ATOM 0 HA THR A 7 52.239 49.645 27.389 1.00 0.00 H new ATOM 0 HB THR A 7 54.001 50.989 26.240 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.277 53.050 25.378 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.702 51.251 24.105 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.339 49.718 24.933 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.194 51.077 25.034 1.00 0.00 H new ATOM 128 N LEU A 8 54.467 50.200 28.663 1.00 0.00 N ATOM 129 CA LEU A 8 55.402 50.093 29.766 1.00 0.00 C ATOM 130 C LEU A 8 56.076 51.416 30.131 1.00 0.00 C ATOM 131 O LEU A 8 56.505 51.600 31.268 1.00 0.00 O ATOM 132 CB LEU A 8 56.451 49.031 29.451 1.00 0.00 C ATOM 133 CG LEU A 8 55.919 47.623 29.200 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.995 46.753 28.557 1.00 0.00 C ATOM 135 CD2 LEU A 8 55.483 46.935 30.490 1.00 0.00 C ATOM 0 H LEU A 8 54.756 49.661 27.847 1.00 0.00 H new ATOM 0 HA LEU A 8 54.821 49.801 30.641 1.00 0.00 H new ATOM 0 HB2 LEU A 8 57.010 49.350 28.571 1.00 0.00 H new ATOM 0 HB3 LEU A 8 57.158 48.989 30.280 1.00 0.00 H new ATOM 0 HG LEU A 8 55.058 47.733 28.540 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.599 45.752 28.385 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.298 47.192 27.606 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.858 46.692 29.220 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.112 45.936 30.262 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.333 46.860 31.168 1.00 0.00 H new ATOM 0 HD23 LEU A 8 54.692 47.517 30.963 1.00 0.00 H new ATOM 147 N THR A 9 56.125 52.357 29.193 1.00 0.00 N ATOM 148 CA THR A 9 56.651 53.702 29.317 1.00 0.00 C ATOM 149 C THR A 9 55.729 54.683 30.045 1.00 0.00 C ATOM 150 O THR A 9 56.052 55.864 30.147 1.00 0.00 O ATOM 151 CB THR A 9 56.952 54.271 27.934 1.00 0.00 C ATOM 152 OG1 THR A 9 55.750 54.295 27.195 1.00 0.00 O ATOM 153 CG2 THR A 9 57.964 53.449 27.140 1.00 0.00 C ATOM 0 H THR A 9 55.768 52.179 28.254 1.00 0.00 H new ATOM 0 HA THR A 9 57.552 53.601 29.923 1.00 0.00 H new ATOM 0 HB THR A 9 57.380 55.262 28.086 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.922 54.660 26.302 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.128 53.914 26.168 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.907 53.407 27.686 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.581 52.438 26.999 1.00 0.00 H new ATOM 161 N GLY A 10 54.573 54.243 30.534 1.00 0.00 N ATOM 162 CA GLY A 10 53.610 55.085 31.213 1.00 0.00 C ATOM 163 C GLY A 10 52.670 55.861 30.288 1.00 0.00 C ATOM 164 O GLY A 10 51.828 56.611 30.776 1.00 0.00 O ATOM 0 H GLY A 10 54.279 53.269 30.464 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.011 54.464 31.878 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.148 55.796 31.840 1.00 0.00 H new ATOM 168 N LYS A 11 52.778 55.675 28.975 1.00 0.00 N ATOM 169 CA LYS A 11 51.890 56.225 27.971 1.00 0.00 C ATOM 170 C LYS A 11 50.645 55.353 27.802 1.00 0.00 C ATOM 171 O LYS A 11 50.684 54.161 28.097 1.00 0.00 O ATOM 172 CB LYS A 11 52.706 56.387 26.692 1.00 0.00 C ATOM 173 CG LYS A 11 52.002 57.110 25.548 1.00 0.00 C ATOM 174 CD LYS A 11 52.909 57.135 24.320 1.00 0.00 C ATOM 175 CE LYS A 11 52.144 57.571 23.074 1.00 0.00 C ATOM 176 NZ LYS A 11 52.959 57.384 21.863 1.00 0.00 N ATOM 0 H LYS A 11 53.524 55.109 28.570 1.00 0.00 H new ATOM 0 HA LYS A 11 51.504 57.201 28.267 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.621 56.929 26.932 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.003 55.398 26.344 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.065 56.608 25.310 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.751 58.128 25.848 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.742 57.816 24.495 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.335 56.145 24.160 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.222 56.996 22.989 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.858 58.619 23.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 53.050 58.291 21.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.903 57.040 22.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.501 56.689 21.240 1.00 0.00 H new ATOM 190 N THR A 12 49.539 55.936 27.350 1.00 0.00 N ATOM 191 CA THR A 12 48.305 55.251 27.021 1.00 0.00 C ATOM 192 C THR A 12 47.686 55.869 25.766 1.00 0.00 C ATOM 193 O THR A 12 47.647 57.089 25.636 1.00 0.00 O ATOM 194 CB THR A 12 47.313 55.308 28.178 1.00 0.00 C ATOM 195 OG1 THR A 12 47.889 54.759 29.342 1.00 0.00 O ATOM 196 CG2 THR A 12 46.016 54.537 27.952 1.00 0.00 C ATOM 0 H THR A 12 49.482 56.943 27.198 1.00 0.00 H new ATOM 0 HA THR A 12 48.538 54.203 26.832 1.00 0.00 H new ATOM 0 HB THR A 12 47.076 56.368 28.270 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.244 54.803 30.078 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.376 54.637 28.829 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.501 54.939 27.079 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.243 53.484 27.787 1.00 0.00 H new ATOM 204 N ILE A 13 47.162 55.034 24.872 1.00 0.00 N ATOM 205 CA ILE A 13 46.427 55.433 23.688 1.00 0.00 C ATOM 206 C ILE A 13 44.961 54.999 23.756 1.00 0.00 C ATOM 207 O ILE A 13 44.631 53.982 24.363 1.00 0.00 O ATOM 208 CB ILE A 13 47.099 54.959 22.403 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.218 53.440 22.317 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.448 55.648 22.225 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.750 52.927 20.982 1.00 0.00 C ATOM 0 H ILE A 13 47.245 54.021 24.962 1.00 0.00 H new ATOM 0 HA ILE A 13 46.440 56.523 23.664 1.00 0.00 H new ATOM 0 HB ILE A 13 46.453 55.247 21.574 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.875 53.093 23.114 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.237 53.000 22.498 1.00 0.00 H new ATOM 0 HG21 ILE A 13 48.916 55.300 21.304 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.301 56.727 22.172 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.092 55.410 23.071 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.803 51.839 21.006 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.082 53.240 20.180 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.745 53.335 20.806 1.00 0.00 H new ATOM 223 N THR A 14 44.086 55.748 23.091 1.00 0.00 N ATOM 224 CA THR A 14 42.701 55.386 22.862 1.00 0.00 C ATOM 225 C THR A 14 42.566 54.690 21.507 1.00 0.00 C ATOM 226 O THR A 14 43.112 55.183 20.521 1.00 0.00 O ATOM 227 CB THR A 14 41.788 56.608 22.927 1.00 0.00 C ATOM 228 OG1 THR A 14 41.893 57.250 24.177 1.00 0.00 O ATOM 229 CG2 THR A 14 40.315 56.255 22.747 1.00 0.00 C ATOM 0 H THR A 14 44.335 56.651 22.686 1.00 0.00 H new ATOM 0 HA THR A 14 42.391 54.701 23.651 1.00 0.00 H new ATOM 0 HB THR A 14 42.117 57.254 22.113 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.864 56.581 24.892 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.714 57.163 22.802 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.170 55.783 21.775 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.007 55.567 23.534 1.00 0.00 H new ATOM 237 N LEU A 15 41.835 53.582 21.434 1.00 0.00 N ATOM 238 CA LEU A 15 41.497 52.881 20.211 1.00 0.00 C ATOM 239 C LEU A 15 39.988 52.887 19.958 1.00 0.00 C ATOM 240 O LEU A 15 39.202 52.802 20.898 1.00 0.00 O ATOM 241 CB LEU A 15 41.998 51.440 20.250 1.00 0.00 C ATOM 242 CG LEU A 15 43.496 51.231 20.450 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.791 49.735 20.381 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.355 51.916 19.391 1.00 0.00 C ATOM 0 H LEU A 15 41.448 53.133 22.264 1.00 0.00 H new ATOM 0 HA LEU A 15 41.989 53.410 19.395 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.474 50.921 21.053 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.710 50.956 19.316 1.00 0.00 H new ATOM 0 HG LEU A 15 43.747 51.669 21.416 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.859 49.568 20.522 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.236 49.218 21.164 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.489 49.349 19.407 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.408 51.724 19.597 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.100 51.524 18.406 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.171 52.990 19.412 1.00 0.00 H new ATOM 256 N GLU A 16 39.594 52.913 18.688 1.00 0.00 N ATOM 257 CA GLU A 16 38.232 52.717 18.234 1.00 0.00 C ATOM 258 C GLU A 16 38.032 51.278 17.757 1.00 0.00 C ATOM 259 O GLU A 16 38.738 50.807 16.867 1.00 0.00 O ATOM 260 CB GLU A 16 37.927 53.740 17.144 1.00 0.00 C ATOM 261 CG GLU A 16 36.545 53.625 16.509 1.00 0.00 C ATOM 262 CD GLU A 16 35.384 53.693 17.504 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.413 54.527 18.435 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.415 52.922 17.339 1.00 0.00 O ATOM 0 H GLU A 16 40.246 53.078 17.921 1.00 0.00 H new ATOM 0 HA GLU A 16 37.531 52.873 19.054 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.032 54.739 17.567 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.678 53.645 16.360 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.427 54.424 15.777 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.486 52.683 15.964 1.00 0.00 H new ATOM 271 N VAL A 17 37.078 50.568 18.352 1.00 0.00 N ATOM 272 CA VAL A 17 36.854 49.146 18.192 1.00 0.00 C ATOM 273 C VAL A 17 35.365 48.797 18.161 1.00 0.00 C ATOM 274 O VAL A 17 34.545 49.508 18.736 1.00 0.00 O ATOM 275 CB VAL A 17 37.527 48.359 19.313 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.048 48.482 19.280 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.039 48.757 20.703 1.00 0.00 C ATOM 0 H VAL A 17 36.409 50.997 18.991 1.00 0.00 H new ATOM 0 HA VAL A 17 37.293 48.869 17.233 1.00 0.00 H new ATOM 0 HB VAL A 17 37.242 47.324 19.126 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.478 47.904 20.098 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.423 48.101 18.330 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.331 49.529 19.388 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.556 48.161 21.455 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.246 49.814 20.873 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.966 48.581 20.776 1.00 0.00 H new ATOM 287 N GLU A 18 35.015 47.668 17.550 1.00 0.00 N ATOM 288 CA GLU A 18 33.721 47.034 17.702 1.00 0.00 C ATOM 289 C GLU A 18 33.786 45.912 18.741 1.00 0.00 C ATOM 290 O GLU A 18 34.801 45.225 18.815 1.00 0.00 O ATOM 291 CB GLU A 18 33.224 46.465 16.377 1.00 0.00 C ATOM 292 CG GLU A 18 32.996 47.486 15.266 1.00 0.00 C ATOM 293 CD GLU A 18 31.828 48.420 15.585 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.696 48.139 15.133 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.018 49.419 16.311 1.00 0.00 O ATOM 0 H GLU A 18 35.641 47.163 16.923 1.00 0.00 H new ATOM 0 HA GLU A 18 33.023 47.800 18.040 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.945 45.727 16.026 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.288 45.936 16.557 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.902 48.074 15.121 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.800 46.966 14.329 1.00 0.00 H new ATOM 302 N PRO A 19 32.720 45.623 19.484 1.00 0.00 N ATOM 303 CA PRO A 19 32.683 44.500 20.398 1.00 0.00 C ATOM 304 C PRO A 19 32.861 43.140 19.720 1.00 0.00 C ATOM 305 O PRO A 19 33.182 42.160 20.388 1.00 0.00 O ATOM 306 CB PRO A 19 31.341 44.605 21.117 1.00 0.00 C ATOM 307 CG PRO A 19 30.454 45.357 20.130 1.00 0.00 C ATOM 308 CD PRO A 19 31.448 46.317 19.480 1.00 0.00 C ATOM 0 HA PRO A 19 33.526 44.551 21.087 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.934 43.621 21.350 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.434 45.143 22.060 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.996 44.688 19.401 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.643 45.886 20.631 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.142 46.569 18.465 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.510 47.253 20.036 1.00 0.00 H new ATOM 316 N SER A 20 32.676 43.073 18.405 1.00 0.00 N ATOM 317 CA SER A 20 32.876 41.909 17.565 1.00 0.00 C ATOM 318 C SER A 20 34.200 41.892 16.797 1.00 0.00 C ATOM 319 O SER A 20 34.424 40.964 16.025 1.00 0.00 O ATOM 320 CB SER A 20 31.704 41.807 16.592 1.00 0.00 C ATOM 321 OG SER A 20 31.638 42.942 15.760 1.00 0.00 O ATOM 0 H SER A 20 32.363 43.883 17.870 1.00 0.00 H new ATOM 0 HA SER A 20 32.924 41.047 18.230 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.810 40.910 15.982 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.772 41.705 17.149 1.00 0.00 H new ATOM 0 HG SER A 20 30.881 42.853 15.144 1.00 0.00 H new ATOM 327 N ASP A 21 35.080 42.877 16.956 1.00 0.00 N ATOM 328 CA ASP A 21 36.397 42.848 16.353 1.00 0.00 C ATOM 329 C ASP A 21 37.281 41.787 17.013 1.00 0.00 C ATOM 330 O ASP A 21 37.306 41.656 18.235 1.00 0.00 O ATOM 331 CB ASP A 21 37.070 44.215 16.413 1.00 0.00 C ATOM 332 CG ASP A 21 36.531 45.243 15.416 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.719 46.456 15.650 1.00 0.00 O ATOM 334 OD2 ASP A 21 35.990 44.866 14.354 1.00 0.00 O ATOM 0 H ASP A 21 34.894 43.715 17.507 1.00 0.00 H new ATOM 0 HA ASP A 21 36.267 42.584 15.304 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.958 44.615 17.421 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.138 44.086 16.238 1.00 0.00 H new ATOM 339 N THR A 22 38.040 41.048 16.208 1.00 0.00 N ATOM 340 CA THR A 22 38.958 40.020 16.657 1.00 0.00 C ATOM 341 C THR A 22 40.313 40.593 17.077 1.00 0.00 C ATOM 342 O THR A 22 40.600 41.758 16.811 1.00 0.00 O ATOM 343 CB THR A 22 39.143 38.909 15.628 1.00 0.00 C ATOM 344 OG1 THR A 22 39.815 39.358 14.473 1.00 0.00 O ATOM 345 CG2 THR A 22 37.841 38.254 15.178 1.00 0.00 C ATOM 0 H THR A 22 38.028 41.156 15.194 1.00 0.00 H new ATOM 0 HA THR A 22 38.494 39.578 17.539 1.00 0.00 H new ATOM 0 HB THR A 22 39.742 38.167 16.157 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.605 40.303 14.319 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.059 37.475 14.447 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.339 37.813 16.039 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.193 39.005 14.726 1.00 0.00 H new ATOM 353 N ILE A 23 41.155 39.815 17.750 1.00 0.00 N ATOM 354 CA ILE A 23 42.384 40.317 18.331 1.00 0.00 C ATOM 355 C ILE A 23 43.336 40.884 17.278 1.00 0.00 C ATOM 356 O ILE A 23 43.953 41.924 17.501 1.00 0.00 O ATOM 357 CB ILE A 23 43.067 39.269 19.205 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.136 38.479 20.120 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.160 39.919 20.049 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.157 39.282 20.972 1.00 0.00 C ATOM 0 H ILE A 23 40.999 38.819 17.905 1.00 0.00 H new ATOM 0 HA ILE A 23 42.105 41.148 18.979 1.00 0.00 H new ATOM 0 HB ILE A 23 43.482 38.547 18.501 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.561 37.788 19.503 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.750 37.875 20.788 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.640 39.162 20.668 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.902 40.376 19.394 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.720 40.684 20.688 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.556 38.601 21.574 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.711 39.954 21.628 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.504 39.866 20.323 1.00 0.00 H new ATOM 372 N GLU A 24 43.403 40.301 16.084 1.00 0.00 N ATOM 373 CA GLU A 24 44.244 40.793 15.012 1.00 0.00 C ATOM 374 C GLU A 24 43.891 42.208 14.550 1.00 0.00 C ATOM 375 O GLU A 24 44.778 42.948 14.130 1.00 0.00 O ATOM 376 CB GLU A 24 44.295 39.805 13.849 1.00 0.00 C ATOM 377 CG GLU A 24 43.052 39.750 12.966 1.00 0.00 C ATOM 378 CD GLU A 24 43.226 38.690 11.877 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.054 37.488 12.176 1.00 0.00 O ATOM 380 OE2 GLU A 24 43.596 39.032 10.733 1.00 0.00 O ATOM 0 H GLU A 24 42.869 39.468 15.838 1.00 0.00 H new ATOM 0 HA GLU A 24 45.248 40.873 15.430 1.00 0.00 H new ATOM 0 HB2 GLU A 24 45.151 40.055 13.223 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.475 38.808 14.252 1.00 0.00 H new ATOM 0 HG2 GLU A 24 42.176 39.519 13.572 1.00 0.00 H new ATOM 0 HG3 GLU A 24 42.877 40.725 12.511 1.00 0.00 H new ATOM 387 N ASN A 25 42.635 42.622 14.694 1.00 0.00 N ATOM 388 CA ASN A 25 42.193 43.961 14.363 1.00 0.00 C ATOM 389 C ASN A 25 42.765 44.999 15.329 1.00 0.00 C ATOM 390 O ASN A 25 43.205 46.067 14.907 1.00 0.00 O ATOM 391 CB ASN A 25 40.667 44.007 14.352 1.00 0.00 C ATOM 392 CG ASN A 25 40.053 42.994 13.382 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.432 42.003 13.761 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.222 43.220 12.083 1.00 0.00 N ATOM 0 H ASN A 25 41.890 42.023 15.050 1.00 0.00 H new ATOM 0 HA ASN A 25 42.566 44.212 13.370 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.294 43.813 15.358 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.340 45.010 14.079 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.836 42.570 11.398 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.738 44.043 11.771 1.00 0.00 H new ATOM 401 N VAL A 26 42.843 44.665 16.614 1.00 0.00 N ATOM 402 CA VAL A 26 43.435 45.521 17.623 1.00 0.00 C ATOM 403 C VAL A 26 44.957 45.545 17.471 1.00 0.00 C ATOM 404 O VAL A 26 45.540 46.627 17.488 1.00 0.00 O ATOM 405 CB VAL A 26 42.980 45.108 19.021 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.751 45.809 20.136 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.507 45.471 19.192 1.00 0.00 C ATOM 0 H VAL A 26 42.491 43.781 16.982 1.00 0.00 H new ATOM 0 HA VAL A 26 43.086 46.543 17.478 1.00 0.00 H new ATOM 0 HB VAL A 26 43.159 44.036 19.102 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.379 45.471 21.103 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.811 45.570 20.051 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.614 46.887 20.051 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.174 45.179 20.188 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.380 46.546 19.067 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.914 44.947 18.443 1.00 0.00 H new ATOM 417 N LYS A 27 45.594 44.407 17.211 1.00 0.00 N ATOM 418 CA LYS A 27 47.021 44.335 16.969 1.00 0.00 C ATOM 419 C LYS A 27 47.462 45.209 15.792 1.00 0.00 C ATOM 420 O LYS A 27 48.466 45.911 15.900 1.00 0.00 O ATOM 421 CB LYS A 27 47.449 42.884 16.770 1.00 0.00 C ATOM 422 CG LYS A 27 47.372 42.051 18.047 1.00 0.00 C ATOM 423 CD LYS A 27 47.681 40.581 17.776 1.00 0.00 C ATOM 424 CE LYS A 27 47.809 39.818 19.092 1.00 0.00 C ATOM 425 NZ LYS A 27 48.227 38.425 18.879 1.00 0.00 N ATOM 0 H LYS A 27 45.124 43.503 17.163 1.00 0.00 H new ATOM 0 HA LYS A 27 47.522 44.733 17.851 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.817 42.427 16.008 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.471 42.863 16.392 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.076 42.443 18.781 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.376 42.140 18.481 1.00 0.00 H new ATOM 0 HD2 LYS A 27 46.890 40.142 17.168 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.606 40.495 17.206 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.533 40.320 19.734 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.853 39.834 19.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.578 38.027 19.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 47.415 37.866 18.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.984 38.395 18.166 1.00 0.00 H new ATOM 439 N ALA A 28 46.693 45.222 14.707 1.00 0.00 N ATOM 440 CA ALA A 28 46.925 46.084 13.566 1.00 0.00 C ATOM 441 C ALA A 28 46.710 47.562 13.893 1.00 0.00 C ATOM 442 O ALA A 28 47.561 48.389 13.570 1.00 0.00 O ATOM 443 CB ALA A 28 46.035 45.621 12.415 1.00 0.00 C ATOM 0 H ALA A 28 45.877 44.620 14.600 1.00 0.00 H new ATOM 0 HA ALA A 28 47.972 46.003 13.273 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.199 46.261 11.548 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.281 44.591 12.157 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.989 45.680 12.717 1.00 0.00 H new ATOM 449 N LYS A 29 45.635 47.906 14.596 1.00 0.00 N ATOM 450 CA LYS A 29 45.350 49.265 15.013 1.00 0.00 C ATOM 451 C LYS A 29 46.397 49.844 15.966 1.00 0.00 C ATOM 452 O LYS A 29 46.634 51.049 15.930 1.00 0.00 O ATOM 453 CB LYS A 29 43.941 49.344 15.596 1.00 0.00 C ATOM 454 CG LYS A 29 42.917 49.543 14.482 1.00 0.00 C ATOM 455 CD LYS A 29 41.480 49.574 14.994 1.00 0.00 C ATOM 456 CE LYS A 29 40.569 50.071 13.876 1.00 0.00 C ATOM 457 NZ LYS A 29 39.145 49.989 14.238 1.00 0.00 N ATOM 0 H LYS A 29 44.929 47.233 14.894 1.00 0.00 H new ATOM 0 HA LYS A 29 45.402 49.894 14.124 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.716 48.431 16.147 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.880 50.168 16.307 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.132 50.476 13.961 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.020 48.739 13.753 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.173 48.579 15.316 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.403 50.228 15.862 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.822 51.104 13.636 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.747 49.482 12.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.578 50.504 13.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.849 48.992 14.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.000 50.413 15.177 1.00 0.00 H new ATOM 471 N ILE A 30 47.060 49.008 16.761 1.00 0.00 N ATOM 472 CA ILE A 30 48.201 49.374 17.578 1.00 0.00 C ATOM 473 C ILE A 30 49.436 49.639 16.716 1.00 0.00 C ATOM 474 O ILE A 30 50.144 50.612 16.969 1.00 0.00 O ATOM 475 CB ILE A 30 48.435 48.315 18.652 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.307 48.359 19.679 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.778 48.484 19.355 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.259 47.146 20.604 1.00 0.00 C ATOM 0 H ILE A 30 46.804 48.025 16.853 1.00 0.00 H new ATOM 0 HA ILE A 30 47.990 50.312 18.092 1.00 0.00 H new ATOM 0 HB ILE A 30 48.449 47.347 18.152 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.415 49.259 20.284 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.355 48.440 19.154 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.894 47.706 20.109 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.583 48.405 18.625 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.817 49.462 19.834 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.430 47.254 21.304 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.118 46.242 20.012 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.195 47.074 21.159 1.00 0.00 H new ATOM 490 N GLN A 31 49.691 48.865 15.665 1.00 0.00 N ATOM 491 CA GLN A 31 50.782 49.146 14.753 1.00 0.00 C ATOM 492 C GLN A 31 50.577 50.474 14.022 1.00 0.00 C ATOM 493 O GLN A 31 51.505 51.275 13.934 1.00 0.00 O ATOM 494 CB GLN A 31 50.985 47.987 13.781 1.00 0.00 C ATOM 495 CG GLN A 31 52.326 48.114 13.065 1.00 0.00 C ATOM 496 CD GLN A 31 52.655 46.970 12.102 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.800 46.212 11.650 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.924 46.826 11.732 1.00 0.00 N ATOM 0 H GLN A 31 49.149 48.034 15.428 1.00 0.00 H new ATOM 0 HA GLN A 31 51.694 49.249 15.341 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.943 47.041 14.321 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.176 47.973 13.050 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.337 49.052 12.509 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.116 48.178 13.813 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.638 47.452 12.104 1.00 0.00 H new ATOM 0 HE22 GLN A 31 54.184 46.089 11.076 1.00 0.00 H new ATOM 507 N ASP A 32 49.363 50.770 13.567 1.00 0.00 N ATOM 508 CA ASP A 32 49.039 52.015 12.898 1.00 0.00 C ATOM 509 C ASP A 32 49.129 53.255 13.788 1.00 0.00 C ATOM 510 O ASP A 32 49.331 54.358 13.286 1.00 0.00 O ATOM 511 CB ASP A 32 47.647 51.876 12.288 1.00 0.00 C ATOM 512 CG ASP A 32 47.310 52.996 11.301 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.999 53.107 10.264 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.310 53.712 11.524 1.00 0.00 O ATOM 0 H ASP A 32 48.568 50.138 13.657 1.00 0.00 H new ATOM 0 HA ASP A 32 49.792 52.181 12.128 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.575 50.916 11.777 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.906 51.869 13.087 1.00 0.00 H new ATOM 519 N LYS A 33 48.997 53.104 15.103 1.00 0.00 N ATOM 520 CA LYS A 33 48.933 54.198 16.052 1.00 0.00 C ATOM 521 C LYS A 33 50.159 54.366 16.951 1.00 0.00 C ATOM 522 O LYS A 33 50.413 55.482 17.397 1.00 0.00 O ATOM 523 CB LYS A 33 47.614 54.095 16.813 1.00 0.00 C ATOM 524 CG LYS A 33 47.260 55.392 17.536 1.00 0.00 C ATOM 525 CD LYS A 33 45.781 55.467 17.901 1.00 0.00 C ATOM 526 CE LYS A 33 45.501 56.816 18.557 1.00 0.00 C ATOM 527 NZ LYS A 33 44.059 57.058 18.722 1.00 0.00 N ATOM 0 H LYS A 33 48.930 52.187 15.545 1.00 0.00 H new ATOM 0 HA LYS A 33 48.957 55.130 15.487 1.00 0.00 H new ATOM 0 HB2 LYS A 33 46.815 53.839 16.117 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.678 53.283 17.538 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.860 55.476 18.442 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.519 56.241 16.903 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.166 55.347 17.009 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.519 54.656 18.580 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.989 56.854 19.531 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.935 57.611 17.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.914 57.907 19.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.622 57.199 17.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 43.621 56.239 19.190 1.00 0.00 H new ATOM 541 N GLU A 34 50.940 53.319 17.203 1.00 0.00 N ATOM 542 CA GLU A 34 52.126 53.344 18.035 1.00 0.00 C ATOM 543 C GLU A 34 53.353 52.720 17.368 1.00 0.00 C ATOM 544 O GLU A 34 54.463 52.838 17.880 1.00 0.00 O ATOM 545 CB GLU A 34 51.776 52.695 19.372 1.00 0.00 C ATOM 546 CG GLU A 34 52.787 52.783 20.512 1.00 0.00 C ATOM 547 CD GLU A 34 53.031 54.193 21.054 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.429 55.103 20.294 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.884 54.418 22.274 1.00 0.00 O ATOM 0 H GLU A 34 50.751 52.395 16.814 1.00 0.00 H new ATOM 0 HA GLU A 34 52.425 54.379 18.199 1.00 0.00 H new ATOM 0 HB2 GLU A 34 50.843 53.138 19.721 1.00 0.00 H new ATOM 0 HB3 GLU A 34 51.577 51.640 19.186 1.00 0.00 H new ATOM 0 HG2 GLU A 34 52.445 52.150 21.331 1.00 0.00 H new ATOM 0 HG3 GLU A 34 53.737 52.373 20.168 1.00 0.00 H new ATOM 556 N GLY A 35 53.210 52.094 16.203 1.00 0.00 N ATOM 557 CA GLY A 35 54.318 51.590 15.417 1.00 0.00 C ATOM 558 C GLY A 35 54.899 50.248 15.867 1.00 0.00 C ATOM 559 O GLY A 35 55.944 49.843 15.365 1.00 0.00 O ATOM 0 H GLY A 35 52.300 51.923 15.776 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.990 51.494 14.382 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.116 52.333 15.431 1.00 0.00 H new ATOM 563 N ILE A 36 54.230 49.546 16.778 1.00 0.00 N ATOM 564 CA ILE A 36 54.639 48.274 17.338 1.00 0.00 C ATOM 565 C ILE A 36 54.090 47.144 16.465 1.00 0.00 C ATOM 566 O ILE A 36 52.873 46.980 16.434 1.00 0.00 O ATOM 567 CB ILE A 36 54.146 48.170 18.778 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.695 49.284 19.667 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.518 46.822 19.388 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.996 49.421 21.017 1.00 0.00 C ATOM 0 H ILE A 36 53.343 49.872 17.161 1.00 0.00 H new ATOM 0 HA ILE A 36 55.726 48.194 17.353 1.00 0.00 H new ATOM 0 HB ILE A 36 53.062 48.271 18.734 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.756 49.104 19.839 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.614 50.231 19.133 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.155 46.774 20.415 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.064 46.021 18.805 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.602 46.706 19.381 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.451 50.235 21.581 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.939 49.635 20.859 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.099 48.491 21.576 1.00 0.00 H new ATOM 582 N PRO A 37 54.902 46.347 15.777 1.00 0.00 N ATOM 583 CA PRO A 37 54.425 45.229 14.987 1.00 0.00 C ATOM 584 C PRO A 37 53.720 44.173 15.841 1.00 0.00 C ATOM 585 O PRO A 37 54.130 43.977 16.983 1.00 0.00 O ATOM 586 CB PRO A 37 55.639 44.627 14.283 1.00 0.00 C ATOM 587 CG PRO A 37 56.676 45.746 14.318 1.00 0.00 C ATOM 588 CD PRO A 37 56.339 46.457 15.626 1.00 0.00 C ATOM 0 HA PRO A 37 53.683 45.579 14.269 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.997 43.735 14.797 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.403 44.333 13.260 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.694 45.358 14.316 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.587 46.411 13.459 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.857 45.995 16.467 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.650 47.501 15.595 1.00 0.00 H new ATOM 596 N PRO A 38 52.730 43.451 15.325 1.00 0.00 N ATOM 597 CA PRO A 38 52.032 42.414 16.057 1.00 0.00 C ATOM 598 C PRO A 38 52.921 41.396 16.775 1.00 0.00 C ATOM 599 O PRO A 38 52.619 41.050 17.914 1.00 0.00 O ATOM 600 CB PRO A 38 51.114 41.744 15.039 1.00 0.00 C ATOM 601 CG PRO A 38 50.776 42.891 14.090 1.00 0.00 C ATOM 602 CD PRO A 38 52.074 43.694 14.056 1.00 0.00 C ATOM 0 HA PRO A 38 51.490 42.871 16.885 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.612 40.924 14.522 1.00 0.00 H new ATOM 0 HB3 PRO A 38 50.222 41.330 15.509 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.498 42.529 13.100 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.941 43.487 14.457 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.705 43.380 13.225 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.872 44.756 13.919 1.00 0.00 H new ATOM 610 N ASP A 39 54.041 40.977 16.193 1.00 0.00 N ATOM 611 CA ASP A 39 54.975 40.045 16.792 1.00 0.00 C ATOM 612 C ASP A 39 55.747 40.580 17.999 1.00 0.00 C ATOM 613 O ASP A 39 56.415 39.812 18.688 1.00 0.00 O ATOM 614 CB ASP A 39 55.903 39.434 15.746 1.00 0.00 C ATOM 615 CG ASP A 39 56.956 40.381 15.169 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.755 40.875 14.039 1.00 0.00 O ATOM 617 OD2 ASP A 39 58.029 40.577 15.781 1.00 0.00 O ATOM 0 H ASP A 39 54.327 41.289 15.265 1.00 0.00 H new ATOM 0 HA ASP A 39 54.350 39.254 17.205 1.00 0.00 H new ATOM 0 HB2 ASP A 39 56.413 38.580 16.192 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.296 39.050 14.926 1.00 0.00 H new ATOM 622 N GLN A 40 55.641 41.868 18.314 1.00 0.00 N ATOM 623 CA GLN A 40 56.153 42.435 19.545 1.00 0.00 C ATOM 624 C GLN A 40 55.110 42.505 20.663 1.00 0.00 C ATOM 625 O GLN A 40 55.481 42.792 21.798 1.00 0.00 O ATOM 626 CB GLN A 40 56.739 43.820 19.287 1.00 0.00 C ATOM 627 CG GLN A 40 57.957 43.800 18.367 1.00 0.00 C ATOM 628 CD GLN A 40 58.608 45.177 18.216 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.163 46.188 18.754 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.688 45.275 17.446 1.00 0.00 N ATOM 0 H GLN A 40 55.189 42.552 17.708 1.00 0.00 H new ATOM 0 HA GLN A 40 56.935 41.759 19.892 1.00 0.00 H new ATOM 0 HB2 GLN A 40 55.971 44.455 18.847 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.019 44.271 20.239 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.692 43.097 18.759 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.659 43.434 17.384 1.00 0.00 H new ATOM 0 HE21 GLN A 40 60.069 44.444 16.993 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.136 46.181 17.308 1.00 0.00 H new ATOM 639 N GLN A 41 53.829 42.261 20.399 1.00 0.00 N ATOM 640 CA GLN A 41 52.745 42.575 21.307 1.00 0.00 C ATOM 641 C GLN A 41 52.285 41.370 22.130 1.00 0.00 C ATOM 642 O GLN A 41 52.002 40.320 21.558 1.00 0.00 O ATOM 643 CB GLN A 41 51.552 43.127 20.533 1.00 0.00 C ATOM 644 CG GLN A 41 51.826 44.378 19.703 1.00 0.00 C ATOM 645 CD GLN A 41 50.598 44.833 18.913 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.456 44.579 19.290 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.754 45.520 17.785 1.00 0.00 N ATOM 0 H GLN A 41 53.516 41.831 19.529 1.00 0.00 H new ATOM 0 HA GLN A 41 53.133 43.321 22.000 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.180 42.347 19.869 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.754 43.350 21.241 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.150 45.184 20.361 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.646 44.181 19.013 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.691 45.744 17.450 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.937 45.823 17.255 1.00 0.00 H new ATOM 656 N ARG A 42 52.082 41.541 23.433 1.00 0.00 N ATOM 657 CA ARG A 42 51.135 40.780 24.223 1.00 0.00 C ATOM 658 C ARG A 42 50.041 41.712 24.747 1.00 0.00 C ATOM 659 O ARG A 42 50.376 42.768 25.279 1.00 0.00 O ATOM 660 CB ARG A 42 51.803 40.091 25.410 1.00 0.00 C ATOM 661 CG ARG A 42 52.819 39.007 25.061 1.00 0.00 C ATOM 662 CD ARG A 42 53.324 38.386 26.361 1.00 0.00 C ATOM 663 NE ARG A 42 54.289 37.310 26.131 1.00 0.00 N ATOM 664 CZ ARG A 42 54.079 35.993 26.266 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.868 35.461 26.480 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.129 35.165 26.186 1.00 0.00 N ATOM 0 H ARG A 42 52.591 42.236 23.980 1.00 0.00 H new ATOM 0 HA ARG A 42 50.712 40.012 23.576 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.302 40.850 26.013 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.026 39.648 26.033 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.360 38.246 24.430 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.649 39.432 24.496 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.787 39.160 26.974 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.478 37.996 26.926 1.00 0.00 H new ATOM 0 HE ARG A 42 55.223 37.593 25.836 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.050 36.066 26.547 1.00 0.00 H new ATOM 0 HH12 ARG A 42 52.764 34.451 26.575 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.064 35.541 26.026 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.994 34.159 26.286 1.00 0.00 H new ATOM 680 N LEU A 43 48.773 41.330 24.627 1.00 0.00 N ATOM 681 CA LEU A 43 47.626 42.124 25.019 1.00 0.00 C ATOM 682 C LEU A 43 46.852 41.466 26.162 1.00 0.00 C ATOM 683 O LEU A 43 46.298 40.382 25.994 1.00 0.00 O ATOM 684 CB LEU A 43 46.723 42.352 23.811 1.00 0.00 C ATOM 685 CG LEU A 43 47.361 43.082 22.632 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.364 43.180 21.481 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.807 44.497 22.990 1.00 0.00 C ATOM 0 H LEU A 43 48.512 40.424 24.239 1.00 0.00 H new ATOM 0 HA LEU A 43 47.982 43.087 25.385 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.363 41.384 23.463 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.850 42.919 24.135 1.00 0.00 H new ATOM 0 HG LEU A 43 48.240 42.503 22.347 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.826 43.702 20.643 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.071 42.178 21.167 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.482 43.730 21.809 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.254 44.970 22.115 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.945 45.079 23.317 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.542 44.454 23.794 1.00 0.00 H new ATOM 699 N ILE A 44 46.814 42.124 27.317 1.00 0.00 N ATOM 700 CA ILE A 44 46.244 41.628 28.553 1.00 0.00 C ATOM 701 C ILE A 44 44.973 42.398 28.918 1.00 0.00 C ATOM 702 O ILE A 44 44.953 43.625 28.858 1.00 0.00 O ATOM 703 CB ILE A 44 47.262 41.682 29.688 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.694 41.297 29.324 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.791 40.859 30.883 1.00 0.00 C ATOM 706 CD1 ILE A 44 48.900 39.876 28.807 1.00 0.00 C ATOM 0 H ILE A 44 47.200 43.063 27.415 1.00 0.00 H new ATOM 0 HA ILE A 44 45.971 40.584 28.400 1.00 0.00 H new ATOM 0 HB ILE A 44 47.311 42.741 29.943 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.053 41.993 28.566 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.320 41.435 30.205 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.534 40.914 31.678 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.842 41.254 31.245 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.660 39.820 30.580 1.00 0.00 H new ATOM 0 HD11 ILE A 44 49.955 39.720 28.582 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.582 39.163 29.567 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.311 39.729 27.902 1.00 0.00 H new ATOM 718 N PHE A 45 43.928 41.698 29.352 1.00 0.00 N ATOM 719 CA PHE A 45 42.748 42.259 29.978 1.00 0.00 C ATOM 720 C PHE A 45 42.398 41.523 31.273 1.00 0.00 C ATOM 721 O PHE A 45 42.216 40.308 31.275 1.00 0.00 O ATOM 722 CB PHE A 45 41.554 42.221 29.027 1.00 0.00 C ATOM 723 CG PHE A 45 40.300 42.803 29.633 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.257 44.160 29.974 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.192 41.990 29.898 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.131 44.696 30.609 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.055 42.528 30.513 1.00 0.00 C ATOM 728 CZ PHE A 45 38.024 43.881 30.875 1.00 0.00 C ATOM 0 H PHE A 45 43.885 40.682 29.271 1.00 0.00 H new ATOM 0 HA PHE A 45 42.976 43.297 30.220 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.802 42.771 28.119 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.364 41.189 28.732 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.098 44.797 29.746 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.214 40.945 29.627 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.116 45.738 30.894 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.200 41.898 30.709 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.150 44.294 31.357 1.00 0.00 H new ATOM 738 N ALA A 46 42.259 42.265 32.368 1.00 0.00 N ATOM 739 CA ALA A 46 41.895 41.755 33.676 1.00 0.00 C ATOM 740 C ALA A 46 42.742 40.562 34.122 1.00 0.00 C ATOM 741 O ALA A 46 42.235 39.610 34.712 1.00 0.00 O ATOM 742 CB ALA A 46 40.387 41.522 33.706 1.00 0.00 C ATOM 0 H ALA A 46 42.403 43.275 32.363 1.00 0.00 H new ATOM 0 HA ALA A 46 42.131 42.501 34.435 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.098 41.138 34.684 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.870 42.463 33.518 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.115 40.799 32.937 1.00 0.00 H new ATOM 748 N GLY A 47 44.035 40.579 33.813 1.00 0.00 N ATOM 749 CA GLY A 47 44.994 39.543 34.141 1.00 0.00 C ATOM 750 C GLY A 47 45.039 38.319 33.224 1.00 0.00 C ATOM 751 O GLY A 47 45.853 37.435 33.483 1.00 0.00 O ATOM 0 H GLY A 47 44.457 41.355 33.303 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.987 39.993 34.154 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.787 39.199 35.154 1.00 0.00 H new ATOM 755 N LYS A 48 44.239 38.235 32.165 1.00 0.00 N ATOM 756 CA LYS A 48 44.335 37.215 31.139 1.00 0.00 C ATOM 757 C LYS A 48 44.858 37.813 29.831 1.00 0.00 C ATOM 758 O LYS A 48 44.455 38.912 29.455 1.00 0.00 O ATOM 759 CB LYS A 48 42.987 36.551 30.870 1.00 0.00 C ATOM 760 CG LYS A 48 42.510 35.546 31.915 1.00 0.00 C ATOM 761 CD LYS A 48 42.021 36.164 33.222 1.00 0.00 C ATOM 762 CE LYS A 48 41.209 35.127 33.992 1.00 0.00 C ATOM 763 NZ LYS A 48 40.703 35.672 35.261 1.00 0.00 N ATOM 0 H LYS A 48 43.483 38.899 31.997 1.00 0.00 H new ATOM 0 HA LYS A 48 45.030 36.461 31.509 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.233 37.332 30.777 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.041 36.044 29.907 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.703 34.953 31.486 1.00 0.00 H new ATOM 0 HG3 LYS A 48 43.327 34.859 32.137 1.00 0.00 H new ATOM 0 HD2 LYS A 48 42.869 36.498 33.820 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.410 37.043 33.017 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.372 34.791 33.380 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.829 34.253 34.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 40.156 34.941 35.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 41.503 35.970 35.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 40.092 36.491 35.068 1.00 0.00 H new ATOM 777 N GLN A 49 45.697 37.079 29.106 1.00 0.00 N ATOM 778 CA GLN A 49 46.071 37.433 27.751 1.00 0.00 C ATOM 779 C GLN A 49 44.940 37.087 26.782 1.00 0.00 C ATOM 780 O GLN A 49 44.264 36.074 26.951 1.00 0.00 O ATOM 781 CB GLN A 49 47.419 36.806 27.399 1.00 0.00 C ATOM 782 CG GLN A 49 47.967 37.333 26.076 1.00 0.00 C ATOM 783 CD GLN A 49 49.400 36.894 25.767 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.162 36.399 26.596 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.847 37.122 24.536 1.00 0.00 N ATOM 0 H GLN A 49 46.134 36.223 29.446 1.00 0.00 H new ATOM 0 HA GLN A 49 46.212 38.510 27.665 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.134 37.013 28.195 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.311 35.723 27.341 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.315 37.000 25.268 1.00 0.00 H new ATOM 0 HG3 GLN A 49 47.928 38.422 26.088 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.228 37.532 23.836 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.809 36.887 24.291 1.00 0.00 H new ATOM 794 N LEU A 50 44.705 37.921 25.772 1.00 0.00 N ATOM 795 CA LEU A 50 43.620 37.735 24.832 1.00 0.00 C ATOM 796 C LEU A 50 43.952 36.672 23.783 1.00 0.00 C ATOM 797 O LEU A 50 44.875 36.846 22.988 1.00 0.00 O ATOM 798 CB LEU A 50 43.251 39.069 24.187 1.00 0.00 C ATOM 799 CG LEU A 50 42.818 40.168 25.152 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.465 41.431 24.369 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.587 39.779 25.966 1.00 0.00 C ATOM 0 H LEU A 50 45.271 38.749 25.588 1.00 0.00 H new ATOM 0 HA LEU A 50 42.753 37.367 25.381 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.109 39.427 23.618 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.445 38.897 23.474 1.00 0.00 H new ATOM 0 HG LEU A 50 43.655 40.333 25.831 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.156 42.214 25.062 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.337 41.767 23.807 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.650 41.215 23.678 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.321 40.596 26.637 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.754 39.577 25.292 1.00 0.00 H new ATOM 0 HD23 LEU A 50 41.805 38.886 26.551 1.00 0.00 H new ATOM 813 N GLU A 51 43.183 35.588 23.750 1.00 0.00 N ATOM 814 CA GLU A 51 43.334 34.512 22.792 1.00 0.00 C ATOM 815 C GLU A 51 42.964 34.938 21.371 1.00 0.00 C ATOM 816 O GLU A 51 41.874 35.445 21.115 1.00 0.00 O ATOM 817 CB GLU A 51 42.476 33.312 23.185 1.00 0.00 C ATOM 818 CG GLU A 51 43.012 32.543 24.389 1.00 0.00 C ATOM 819 CD GLU A 51 42.000 31.510 24.887 1.00 0.00 C ATOM 820 OE1 GLU A 51 41.333 30.843 24.066 1.00 0.00 O ATOM 821 OE2 GLU A 51 41.854 31.344 26.118 1.00 0.00 O ATOM 0 H GLU A 51 42.419 35.435 24.409 1.00 0.00 H new ATOM 0 HA GLU A 51 44.389 34.239 22.804 1.00 0.00 H new ATOM 0 HB2 GLU A 51 41.465 33.656 23.405 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.404 32.634 22.335 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.942 32.043 24.118 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.248 33.241 25.193 1.00 0.00 H new ATOM 828 N ASP A 52 43.851 34.658 20.421 1.00 0.00 N ATOM 829 CA ASP A 52 43.656 34.981 19.022 1.00 0.00 C ATOM 830 C ASP A 52 42.437 34.280 18.421 1.00 0.00 C ATOM 831 O ASP A 52 42.077 33.165 18.794 1.00 0.00 O ATOM 832 CB ASP A 52 44.928 34.676 18.236 1.00 0.00 C ATOM 833 CG ASP A 52 46.095 35.557 18.688 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.329 36.611 18.059 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.769 35.205 19.680 1.00 0.00 O ATOM 0 H ASP A 52 44.739 34.192 20.611 1.00 0.00 H new ATOM 0 HA ASP A 52 43.449 36.049 18.952 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.193 33.626 18.364 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.745 34.831 17.173 1.00 0.00 H new ATOM 840 N GLY A 53 41.772 34.972 17.501 1.00 0.00 N ATOM 841 CA GLY A 53 40.512 34.578 16.903 1.00 0.00 C ATOM 842 C GLY A 53 39.270 34.887 17.743 1.00 0.00 C ATOM 843 O GLY A 53 38.177 34.916 17.183 1.00 0.00 O ATOM 0 H GLY A 53 42.117 35.861 17.140 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.413 35.077 15.939 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.541 33.506 16.705 1.00 0.00 H new ATOM 847 N ARG A 54 39.398 35.172 19.036 1.00 0.00 N ATOM 848 CA ARG A 54 38.303 35.612 19.876 1.00 0.00 C ATOM 849 C ARG A 54 38.056 37.116 19.734 1.00 0.00 C ATOM 850 O ARG A 54 38.870 37.821 19.140 1.00 0.00 O ATOM 851 CB ARG A 54 38.517 35.179 21.324 1.00 0.00 C ATOM 852 CG ARG A 54 38.835 33.696 21.489 1.00 0.00 C ATOM 853 CD ARG A 54 38.530 33.198 22.900 1.00 0.00 C ATOM 854 NE ARG A 54 38.890 31.794 23.093 1.00 0.00 N ATOM 855 CZ ARG A 54 38.125 30.712 22.899 1.00 0.00 C ATOM 856 NH1 ARG A 54 36.908 30.765 22.340 1.00 0.00 N ATOM 857 NH2 ARG A 54 38.570 29.502 23.266 1.00 0.00 N ATOM 0 H ARG A 54 40.286 35.100 19.533 1.00 0.00 H new ATOM 0 HA ARG A 54 37.392 35.122 19.534 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.332 35.764 21.751 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.621 35.414 21.899 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.256 33.119 20.768 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.887 33.524 21.264 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.071 33.810 23.622 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.467 33.328 23.105 1.00 0.00 H new ATOM 0 HE ARG A 54 39.841 31.617 23.415 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.523 31.661 22.039 1.00 0.00 H new ATOM 0 HH12 ARG A 54 36.366 29.910 22.215 1.00 0.00 H new ATOM 0 HH21 ARG A 54 39.491 29.405 23.693 1.00 0.00 H new ATOM 0 HH22 ARG A 54 37.987 28.678 23.118 1.00 0.00 H new ATOM 871 N THR A 55 36.941 37.622 20.253 1.00 0.00 N ATOM 872 CA THR A 55 36.543 39.013 20.175 1.00 0.00 C ATOM 873 C THR A 55 36.474 39.700 21.541 1.00 0.00 C ATOM 874 O THR A 55 36.468 39.051 22.584 1.00 0.00 O ATOM 875 CB THR A 55 35.207 39.196 19.462 1.00 0.00 C ATOM 876 OG1 THR A 55 34.140 38.746 20.264 1.00 0.00 O ATOM 877 CG2 THR A 55 35.106 38.494 18.110 1.00 0.00 C ATOM 0 H THR A 55 36.267 37.046 20.758 1.00 0.00 H new ATOM 0 HA THR A 55 37.331 39.490 19.591 1.00 0.00 H new ATOM 0 HB THR A 55 35.145 40.269 19.282 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.170 37.769 20.330 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.123 38.679 17.677 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.876 38.880 17.441 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.247 37.422 18.245 1.00 0.00 H new ATOM 885 N LEU A 56 36.378 41.027 21.541 1.00 0.00 N ATOM 886 CA LEU A 56 36.281 41.825 22.746 1.00 0.00 C ATOM 887 C LEU A 56 35.083 41.452 23.622 1.00 0.00 C ATOM 888 O LEU A 56 35.211 41.365 24.840 1.00 0.00 O ATOM 889 CB LEU A 56 36.223 43.301 22.364 1.00 0.00 C ATOM 890 CG LEU A 56 37.452 43.851 21.645 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.282 45.352 21.435 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.750 43.647 22.422 1.00 0.00 C ATOM 0 H LEU A 56 36.366 41.582 20.685 1.00 0.00 H new ATOM 0 HA LEU A 56 37.168 41.622 23.346 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.353 43.458 21.727 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.064 43.885 23.270 1.00 0.00 H new ATOM 0 HG LEU A 56 37.526 43.304 20.705 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.158 45.749 20.922 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.393 45.537 20.832 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.173 45.845 22.401 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.583 44.061 21.854 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.681 44.153 23.385 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.914 42.581 22.583 1.00 0.00 H new ATOM 904 N SER A 57 33.927 41.189 23.019 1.00 0.00 N ATOM 905 CA SER A 57 32.734 40.765 23.723 1.00 0.00 C ATOM 906 C SER A 57 32.859 39.381 24.363 1.00 0.00 C ATOM 907 O SER A 57 32.310 39.179 25.444 1.00 0.00 O ATOM 908 CB SER A 57 31.506 40.819 22.817 1.00 0.00 C ATOM 909 OG SER A 57 31.728 40.144 21.599 1.00 0.00 O ATOM 0 H SER A 57 33.797 41.268 22.010 1.00 0.00 H new ATOM 0 HA SER A 57 32.609 41.477 24.539 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.655 40.373 23.331 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.248 41.859 22.615 1.00 0.00 H new ATOM 0 HG SER A 57 32.223 40.728 20.987 1.00 0.00 H new ATOM 915 N ASP A 58 33.636 38.462 23.797 1.00 0.00 N ATOM 916 CA ASP A 58 33.905 37.172 24.399 1.00 0.00 C ATOM 917 C ASP A 58 34.722 37.293 25.687 1.00 0.00 C ATOM 918 O ASP A 58 34.653 36.430 26.560 1.00 0.00 O ATOM 919 CB ASP A 58 34.627 36.258 23.413 1.00 0.00 C ATOM 920 CG ASP A 58 33.902 36.082 22.077 1.00 0.00 C ATOM 921 OD1 ASP A 58 32.693 35.766 22.037 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.555 36.273 21.028 1.00 0.00 O ATOM 0 H ASP A 58 34.099 38.599 22.898 1.00 0.00 H new ATOM 0 HA ASP A 58 32.940 36.737 24.657 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.622 36.660 23.224 1.00 0.00 H new ATOM 0 HB3 ASP A 58 34.761 35.279 23.873 1.00 0.00 H new ATOM 927 N TYR A 59 35.466 38.385 25.836 1.00 0.00 N ATOM 928 CA TYR A 59 36.194 38.764 27.030 1.00 0.00 C ATOM 929 C TYR A 59 35.480 39.781 27.922 1.00 0.00 C ATOM 930 O TYR A 59 36.051 40.196 28.928 1.00 0.00 O ATOM 931 CB TYR A 59 37.601 39.205 26.637 1.00 0.00 C ATOM 932 CG TYR A 59 38.525 38.034 26.403 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.123 37.404 27.501 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.789 37.589 25.102 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.994 36.326 27.309 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.681 36.529 24.897 1.00 0.00 C ATOM 937 CZ TYR A 59 40.276 35.885 26.000 1.00 0.00 C ATOM 938 OH TYR A 59 41.116 34.831 25.796 1.00 0.00 O ATOM 0 H TYR A 59 35.580 39.063 25.082 1.00 0.00 H new ATOM 0 HA TYR A 59 36.254 37.881 27.666 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.550 39.811 25.732 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.013 39.839 27.422 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.911 37.752 28.501 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.306 38.062 24.259 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.447 35.835 28.158 1.00 0.00 H new ATOM 0 HE2 TYR A 59 39.913 36.205 23.893 1.00 0.00 H new ATOM 0 HH TYR A 59 40.602 34.061 25.474 1.00 0.00 H new ATOM 948 N ASN A 60 34.236 40.147 27.623 1.00 0.00 N ATOM 949 CA ASN A 60 33.454 41.108 28.376 1.00 0.00 C ATOM 950 C ASN A 60 34.082 42.501 28.453 1.00 0.00 C ATOM 951 O ASN A 60 33.958 43.199 29.458 1.00 0.00 O ATOM 952 CB ASN A 60 33.055 40.482 29.709 1.00 0.00 C ATOM 953 CG ASN A 60 31.924 41.184 30.462 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.228 42.074 29.980 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.659 40.736 31.686 1.00 0.00 N ATOM 0 H ASN A 60 33.733 39.766 26.821 1.00 0.00 H new ATOM 0 HA ASN A 60 32.533 41.326 27.835 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.760 39.448 29.529 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.933 40.455 30.354 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.883 41.131 32.217 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.232 39.997 32.094 1.00 0.00 H new ATOM 962 N ILE A 61 34.775 42.926 27.401 1.00 0.00 N ATOM 963 CA ILE A 61 35.426 44.218 27.311 1.00 0.00 C ATOM 964 C ILE A 61 34.410 45.264 26.848 1.00 0.00 C ATOM 965 O ILE A 61 33.843 45.146 25.764 1.00 0.00 O ATOM 966 CB ILE A 61 36.648 44.131 26.403 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.704 43.218 27.022 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.255 45.501 26.116 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.813 42.783 26.068 1.00 0.00 C ATOM 0 H ILE A 61 34.900 42.358 26.563 1.00 0.00 H new ATOM 0 HA ILE A 61 35.791 44.528 28.290 1.00 0.00 H new ATOM 0 HB ILE A 61 36.312 43.714 25.454 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.155 43.731 27.871 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.211 42.328 27.413 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.122 45.386 25.466 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.514 46.132 25.625 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.563 45.966 27.053 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.515 42.138 26.596 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.379 42.238 25.230 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.338 43.662 25.695 1.00 0.00 H new ATOM 981 N GLN A 62 34.201 46.297 27.660 1.00 0.00 N ATOM 982 CA GLN A 62 33.232 47.355 27.456 1.00 0.00 C ATOM 983 C GLN A 62 33.883 48.709 27.164 1.00 0.00 C ATOM 984 O GLN A 62 35.091 48.862 27.328 1.00 0.00 O ATOM 985 CB GLN A 62 32.337 47.444 28.689 1.00 0.00 C ATOM 986 CG GLN A 62 31.469 46.207 28.900 1.00 0.00 C ATOM 987 CD GLN A 62 30.549 46.386 30.109 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.552 47.102 30.061 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.837 45.750 31.242 1.00 0.00 N ATOM 0 H GLN A 62 34.734 46.419 28.521 1.00 0.00 H new ATOM 0 HA GLN A 62 32.641 47.107 26.574 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.960 47.596 29.570 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.693 48.319 28.599 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.871 46.020 28.008 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.104 45.333 29.047 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.662 45.152 31.296 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.233 45.860 32.056 1.00 0.00 H new ATOM 998 N LYS A 63 33.095 49.711 26.782 1.00 0.00 N ATOM 999 CA LYS A 63 33.516 51.085 26.604 1.00 0.00 C ATOM 1000 C LYS A 63 34.351 51.604 27.776 1.00 0.00 C ATOM 1001 O LYS A 63 34.032 51.367 28.938 1.00 0.00 O ATOM 1002 CB LYS A 63 32.274 51.941 26.366 1.00 0.00 C ATOM 1003 CG LYS A 63 32.557 53.421 26.130 1.00 0.00 C ATOM 1004 CD LYS A 63 31.271 54.176 25.804 1.00 0.00 C ATOM 1005 CE LYS A 63 31.548 55.645 25.497 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.339 56.335 25.017 1.00 0.00 N ATOM 0 H LYS A 63 32.104 49.574 26.581 1.00 0.00 H new ATOM 0 HA LYS A 63 34.175 51.143 25.738 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.736 51.546 25.504 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.612 51.844 27.226 1.00 0.00 H new ATOM 0 HG2 LYS A 63 33.022 53.852 27.016 1.00 0.00 H new ATOM 0 HG3 LYS A 63 33.267 53.534 25.311 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.781 53.710 24.949 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.581 54.103 26.645 1.00 0.00 H new ATOM 0 HE2 LYS A 63 31.919 56.141 26.394 1.00 0.00 H new ATOM 0 HE3 LYS A 63 32.333 55.718 24.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.563 57.331 24.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.000 55.876 24.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.599 56.286 25.746 1.00 0.00 H new ATOM 1020 N GLU A 64 35.440 52.304 27.467 1.00 0.00 N ATOM 1021 CA GLU A 64 36.413 52.839 28.397 1.00 0.00 C ATOM 1022 C GLU A 64 37.140 51.810 29.265 1.00 0.00 C ATOM 1023 O GLU A 64 37.741 52.172 30.273 1.00 0.00 O ATOM 1024 CB GLU A 64 35.849 54.019 29.183 1.00 0.00 C ATOM 1025 CG GLU A 64 35.585 55.246 28.315 1.00 0.00 C ATOM 1026 CD GLU A 64 35.070 56.415 29.159 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.849 57.341 29.473 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.871 56.444 29.509 1.00 0.00 O ATOM 0 H GLU A 64 35.675 52.522 26.499 1.00 0.00 H new ATOM 0 HA GLU A 64 37.219 53.221 27.770 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.920 53.716 29.665 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.547 54.286 29.976 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.502 55.538 27.804 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.855 55.000 27.544 1.00 0.00 H new ATOM 1035 N SER A 65 37.138 50.529 28.906 1.00 0.00 N ATOM 1036 CA SER A 65 37.999 49.535 29.513 1.00 0.00 C ATOM 1037 C SER A 65 39.470 49.756 29.153 1.00 0.00 C ATOM 1038 O SER A 65 39.768 50.214 28.051 1.00 0.00 O ATOM 1039 CB SER A 65 37.619 48.119 29.092 1.00 0.00 C ATOM 1040 OG SER A 65 36.291 47.824 29.462 1.00 0.00 O ATOM 0 H SER A 65 36.530 50.155 28.178 1.00 0.00 H new ATOM 0 HA SER A 65 37.863 49.648 30.589 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.732 48.013 28.013 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.298 47.403 29.555 1.00 0.00 H new ATOM 0 HG SER A 65 35.673 48.344 28.907 1.00 0.00 H new ATOM 1046 N THR A 66 40.383 49.384 30.044 1.00 0.00 N ATOM 1047 CA THR A 66 41.812 49.409 29.805 1.00 0.00 C ATOM 1048 C THR A 66 42.361 48.009 29.525 1.00 0.00 C ATOM 1049 O THR A 66 42.119 47.078 30.291 1.00 0.00 O ATOM 1050 CB THR A 66 42.558 50.040 30.977 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.268 51.419 31.036 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.078 49.970 30.869 1.00 0.00 C ATOM 0 H THR A 66 40.138 49.049 30.976 1.00 0.00 H new ATOM 0 HA THR A 66 41.975 50.022 28.919 1.00 0.00 H new ATOM 0 HB THR A 66 42.228 49.474 31.848 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.747 51.822 31.790 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.527 50.441 31.743 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.391 48.927 30.818 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.403 50.491 29.969 1.00 0.00 H new ATOM 1060 N LEU A 67 43.152 47.885 28.463 1.00 0.00 N ATOM 1061 CA LEU A 67 43.990 46.748 28.142 1.00 0.00 C ATOM 1062 C LEU A 67 45.451 47.138 28.379 1.00 0.00 C ATOM 1063 O LEU A 67 45.835 48.289 28.185 1.00 0.00 O ATOM 1064 CB LEU A 67 43.776 46.315 26.695 1.00 0.00 C ATOM 1065 CG LEU A 67 42.499 45.546 26.368 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.207 46.303 26.664 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.501 45.197 24.882 1.00 0.00 C ATOM 0 H LEU A 67 43.225 48.625 27.765 1.00 0.00 H new ATOM 0 HA LEU A 67 43.727 45.905 28.780 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.799 47.208 26.070 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.625 45.698 26.400 1.00 0.00 H new ATOM 0 HG LEU A 67 42.509 44.667 27.012 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.352 45.680 26.401 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.164 46.549 27.725 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.181 47.221 26.078 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.593 44.647 24.636 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.541 46.113 24.293 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.371 44.581 24.654 1.00 0.00 H new ATOM 1079 N HIS A 68 46.290 46.184 28.772 1.00 0.00 N ATOM 1080 CA HIS A 68 47.692 46.384 29.079 1.00 0.00 C ATOM 1081 C HIS A 68 48.563 45.700 28.025 1.00 0.00 C ATOM 1082 O HIS A 68 48.398 44.511 27.760 1.00 0.00 O ATOM 1083 CB HIS A 68 47.936 45.887 30.502 1.00 0.00 C ATOM 1084 CG HIS A 68 49.312 46.106 31.066 1.00 0.00 C ATOM 1085 ND1 HIS A 68 49.665 47.128 31.947 1.00 0.00 N ATOM 1086 CD2 HIS A 68 50.349 45.212 30.999 1.00 0.00 C ATOM 1087 CE1 HIS A 68 50.885 46.828 32.399 1.00 0.00 C ATOM 1088 NE2 HIS A 68 51.337 45.698 31.833 1.00 0.00 N ATOM 0 H HIS A 68 45.995 45.215 28.888 1.00 0.00 H new ATOM 0 HA HIS A 68 47.967 47.438 29.043 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.217 46.374 31.161 1.00 0.00 H new ATOM 0 HB3 HIS A 68 47.722 44.819 30.531 1.00 0.00 H new ATOM 0 HD2 HIS A 68 50.386 44.307 30.411 1.00 0.00 H new ATOM 0 HE1 HIS A 68 51.433 47.414 33.121 1.00 0.00 H new ATOM 0 HE2 HIS A 68 52.250 45.273 31.991 1.00 0.00 H new ATOM 1096 N LEU A 69 49.473 46.454 27.413 1.00 0.00 N ATOM 1097 CA LEU A 69 50.377 45.997 26.377 1.00 0.00 C ATOM 1098 C LEU A 69 51.776 45.786 26.962 1.00 0.00 C ATOM 1099 O LEU A 69 52.351 46.685 27.571 1.00 0.00 O ATOM 1100 CB LEU A 69 50.320 46.969 25.203 1.00 0.00 C ATOM 1101 CG LEU A 69 51.390 46.853 24.121 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.510 45.481 23.466 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.052 47.819 22.988 1.00 0.00 C ATOM 0 H LEU A 69 49.601 47.440 27.640 1.00 0.00 H new ATOM 0 HA LEU A 69 50.076 45.025 25.986 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.348 46.856 24.724 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.361 47.981 25.606 1.00 0.00 H new ATOM 0 HG LEU A 69 52.328 47.065 24.635 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.297 45.505 22.713 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.755 44.736 24.223 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.563 45.220 22.993 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.810 47.745 22.208 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.077 47.565 22.572 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.027 48.838 23.374 1.00 0.00 H new ATOM 1115 N VAL A 70 52.314 44.587 26.760 1.00 0.00 N ATOM 1116 CA VAL A 70 53.655 44.189 27.137 1.00 0.00 C ATOM 1117 C VAL A 70 54.462 43.879 25.875 1.00 0.00 C ATOM 1118 O VAL A 70 53.972 43.191 24.981 1.00 0.00 O ATOM 1119 CB VAL A 70 53.647 43.000 28.093 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.041 42.713 28.645 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.706 43.219 29.274 1.00 0.00 C ATOM 0 H VAL A 70 51.797 43.834 26.306 1.00 0.00 H new ATOM 0 HA VAL A 70 54.125 45.014 27.672 1.00 0.00 H new ATOM 0 HB VAL A 70 53.298 42.151 27.505 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.996 41.860 29.322 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.719 42.488 27.822 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.405 43.586 29.186 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.733 42.347 29.927 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.021 44.101 29.832 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.690 43.366 28.907 1.00 0.00 H new ATOM 1131 N LEU A 71 55.692 44.380 25.806 1.00 0.00 N ATOM 1132 CA LEU A 71 56.582 44.216 24.675 1.00 0.00 C ATOM 1133 C LEU A 71 57.414 42.939 24.807 1.00 0.00 C ATOM 1134 O LEU A 71 58.082 42.735 25.819 1.00 0.00 O ATOM 1135 CB LEU A 71 57.461 45.454 24.519 1.00 0.00 C ATOM 1136 CG LEU A 71 56.856 46.656 23.798 1.00 0.00 C ATOM 1137 CD1 LEU A 71 56.653 46.382 22.310 1.00 0.00 C ATOM 1138 CD2 LEU A 71 55.535 47.151 24.377 1.00 0.00 C ATOM 0 H LEU A 71 56.104 44.927 26.562 1.00 0.00 H new ATOM 0 HA LEU A 71 55.984 44.110 23.770 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.768 45.777 25.514 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.365 45.161 23.986 1.00 0.00 H new ATOM 0 HG LEU A 71 57.595 47.443 23.948 1.00 0.00 H new ATOM 0 HD11 LEU A 71 56.221 47.262 21.834 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.613 46.154 21.848 1.00 0.00 H new ATOM 0 HD13 LEU A 71 55.980 45.534 22.185 1.00 0.00 H new ATOM 0 HD21 LEU A 71 55.183 48.006 23.800 1.00 0.00 H new ATOM 0 HD22 LEU A 71 54.795 46.352 24.330 1.00 0.00 H new ATOM 0 HD23 LEU A 71 55.682 47.449 25.415 1.00 0.00 H new ATOM 1150 N ARG A 72 57.405 42.107 23.770 1.00 0.00 N ATOM 1151 CA ARG A 72 58.119 40.847 23.708 1.00 0.00 C ATOM 1152 C ARG A 72 59.628 41.029 23.530 1.00 0.00 C ATOM 1153 O ARG A 72 60.378 40.620 24.415 1.00 0.00 O ATOM 1154 CB ARG A 72 57.549 39.950 22.614 1.00 0.00 C ATOM 1155 CG ARG A 72 56.177 39.377 22.959 1.00 0.00 C ATOM 1156 CD ARG A 72 55.599 38.532 21.827 1.00 0.00 C ATOM 1157 NE ARG A 72 56.419 37.374 21.471 1.00 0.00 N ATOM 1158 CZ ARG A 72 56.386 36.730 20.296 1.00 0.00 C ATOM 1159 NH1 ARG A 72 55.546 37.071 19.310 1.00 0.00 N ATOM 1160 NH2 ARG A 72 57.220 35.713 20.040 1.00 0.00 N ATOM 0 H ARG A 72 56.878 42.305 22.919 1.00 0.00 H new ATOM 0 HA ARG A 72 57.973 40.359 24.672 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.475 40.520 21.688 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.242 39.129 22.429 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.256 38.768 23.860 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.492 40.194 23.186 1.00 0.00 H new ATOM 0 HD2 ARG A 72 54.606 38.187 22.116 1.00 0.00 H new ATOM 0 HD3 ARG A 72 55.474 39.161 20.945 1.00 0.00 H new ATOM 0 HE ARG A 72 57.070 37.028 22.176 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.898 37.848 19.438 1.00 0.00 H new ATOM 0 HH12 ARG A 72 55.554 36.553 18.431 1.00 0.00 H new ATOM 0 HH21 ARG A 72 57.895 35.417 20.745 1.00 0.00 H new ATOM 0 HH22 ARG A 72 57.180 35.235 19.140 1.00 0.00 H new ATOM 1174 N LEU A 73 60.065 41.617 22.421 1.00 0.00 N ATOM 1175 CA LEU A 73 61.456 41.837 22.078 1.00 0.00 C ATOM 1176 C LEU A 73 61.667 43.297 21.671 1.00 0.00 C ATOM 1177 O LEU A 73 61.304 43.676 20.561 1.00 0.00 O ATOM 1178 CB LEU A 73 61.899 40.908 20.952 1.00 0.00 C ATOM 1179 CG LEU A 73 62.274 39.476 21.322 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.073 38.565 21.562 1.00 0.00 C ATOM 1181 CD2 LEU A 73 63.076 38.859 20.181 1.00 0.00 C ATOM 0 H LEU A 73 59.426 41.967 21.708 1.00 0.00 H new ATOM 0 HA LEU A 73 62.064 41.616 22.956 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.096 40.865 20.217 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.758 41.363 20.460 1.00 0.00 H new ATOM 0 HG LEU A 73 62.839 39.546 22.251 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.421 37.565 21.820 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.472 38.963 22.380 1.00 0.00 H new ATOM 0 HD13 LEU A 73 60.467 38.516 20.657 1.00 0.00 H new ATOM 0 HD21 LEU A 73 63.347 37.835 20.439 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.474 38.857 19.273 1.00 0.00 H new ATOM 0 HD23 LEU A 73 63.981 39.443 20.015 1.00 0.00 H new ATOM 1193 N ARG A 74 62.284 44.093 22.540 1.00 0.00 N ATOM 1194 CA ARG A 74 62.815 45.411 22.257 1.00 0.00 C ATOM 1195 C ARG A 74 64.061 45.694 23.099 1.00 0.00 C ATOM 1196 O ARG A 74 64.157 45.225 24.231 1.00 0.00 O ATOM 1197 CB ARG A 74 61.777 46.505 22.489 1.00 0.00 C ATOM 1198 CG ARG A 74 60.843 46.720 21.302 1.00 0.00 C ATOM 1199 CD ARG A 74 60.015 47.991 21.464 1.00 0.00 C ATOM 1200 NE ARG A 74 59.307 48.331 20.230 1.00 0.00 N ATOM 1201 CZ ARG A 74 58.584 49.433 19.991 1.00 0.00 C ATOM 1202 NH1 ARG A 74 58.256 50.317 20.943 1.00 0.00 N ATOM 1203 NH2 ARG A 74 58.138 49.736 18.764 1.00 0.00 N ATOM 0 H ARG A 74 62.432 43.815 23.510 1.00 0.00 H new ATOM 0 HA ARG A 74 63.088 45.420 21.202 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.183 46.251 23.367 1.00 0.00 H new ATOM 0 HB3 ARG A 74 62.290 47.441 22.711 1.00 0.00 H new ATOM 0 HG2 ARG A 74 61.428 46.780 20.384 1.00 0.00 H new ATOM 0 HG3 ARG A 74 60.178 45.862 21.201 1.00 0.00 H new ATOM 0 HD2 ARG A 74 59.296 47.857 22.272 1.00 0.00 H new ATOM 0 HD3 ARG A 74 60.666 48.817 21.750 1.00 0.00 H new ATOM 0 HE ARG A 74 59.371 47.655 19.469 1.00 0.00 H new ATOM 0 HH11 ARG A 74 58.560 50.167 21.905 1.00 0.00 H new ATOM 0 HH12 ARG A 74 57.703 51.140 20.706 1.00 0.00 H new ATOM 0 HH21 ARG A 74 58.347 49.119 17.979 1.00 0.00 H new ATOM 0 HH22 ARG A 74 57.590 50.583 18.615 1.00 0.00 H new ATOM 1217 N GLY A 75 64.991 46.487 22.574 1.00 0.00 N ATOM 1218 CA GLY A 75 66.184 46.947 23.255 1.00 0.00 C ATOM 1219 C GLY A 75 67.428 46.974 22.366 1.00 0.00 C ATOM 1220 O GLY A 75 67.598 46.121 21.497 1.00 0.00 O ATOM 0 H GLY A 75 64.925 46.839 21.619 1.00 0.00 H new ATOM 0 HA2 GLY A 75 66.005 47.949 23.645 1.00 0.00 H new ATOM 0 HA3 GLY A 75 66.375 46.301 24.112 1.00 0.00 H new ATOM 1224 N GLY A 76 68.292 47.965 22.573 1.00 0.00 N ATOM 1225 CA GLY A 76 69.525 48.170 21.842 1.00 0.00 C ATOM 1226 C GLY A 76 69.984 49.630 21.823 1.00 0.00 C ATOM 1227 O GLY A 76 69.704 50.371 22.789 1.00 0.00 O ATOM 1228 OXT GLY A 76 70.618 50.013 20.817 1.00 0.00 O ATOM 0 H GLY A 76 68.138 48.675 23.289 1.00 0.00 H new ATOM 0 HA2 GLY A 76 70.309 47.556 22.286 1.00 0.00 H new ATOM 0 HA3 GLY A 76 69.393 47.825 20.817 1.00 0.00 H new TER 1232 GLY A 76